"nicola" <-
structure(list(x = structure(c(47.297, -3.124, 21.673, 48.89, 
-6.527, 22.166, 50.774, -5.66, 25.364, 48, -6.147, 27.923, 44.442, 
-7.348, 28.422, 42.242, -8.488, 25.57, 44.937, -7.862, 23.009, 
51.849, -4.186, 18.012, 51.871, -2.283, 21.289, 53.063, 0.915, 
22.967, 55.232, -0.358, 25.854, 55.141, -5.983, 27.393, 54.89, 
2.04, 18.27, 52.512, 4.657, 19.606, 49.489, 4.19, 17.324, 48.321, 
7.742, 18.033, 42.241, -3.55, 19.597, 44.352, -0.65, 20.956, 
42.349, 2.045, 22.748, 42.692, 4.346, 25.724, 44.371, 11.711, 
22.039, 44.403, 6.259, 19.174, 37.155, -4.076, 19.165, 34.387, 
-1.714, 20.108, 32.332, -1.529, 23.301, 28.723, -1.789, 24.405, 
35.493, 7.259, 24.722, 33.149, 3.738, 19.801, 31.877, -6.104, 
25.315, 30.579, -4.818, 28.626, 33.088, -4.253, 31.456, 35.973, 
-6.79, 31.411, 41.577, -5.807, 32.609, 43.448, -2.637, 33.586, 
40.885, -0.618, 31.636, 37.87, -2.371, 33.166, 36.341, 2.371, 
34.675, 29.134, 1.967, 25.013, 28.267, 5.221, 30.82, 33.006, 
8.051, 29.247), .Dim = as.integer(c(3, 40))), xamino = c("G", 
"A", "G", "K", "G", "I", "G", "V", "T", "R", "T", "D", "V", "D", 
"L", "G", "N", "A", "A", "L", "R", "V", "V", "S", "S", "M", "Y", 
"K", "P", "T", "V", "V", "T", "D", "M", "G", "V", "V", "F", "L"
), xgroup = c(4, 1, 4, 2, 4, 1, 4, 1, 3, 2, 3, 2, 1, 2, 1, 4, 
3, 1, 1, 1, 2, 1, 1, 3, 3, 1, 3, 2, 1, 3, 1, 1, 3, 2, 1, 4, 1, 
1, 1, 1), xseq = c(14, 15, 16, 17, 18, 19, 20, 37, 38, 39, 40, 
43, 59, 60, 61, 62, 83, 84, 85, 86, 102, 106, 134, 135, 136, 
137, 149, 153, 179, 180, 181, 182, 184, 185, 186, 187, 190, 138, 
143, 146), xpdb = "1cyd", y = structure(c(11.025, 4.871, 0.16, 
9.952, 7.763, -2.125, 8.368, 4.823, -4.003, 4.696, 8.465, -5.391, 
6.845, 4.892, -10.564, 7.394, -0.619, -10.226, 6.923, -2.595, 
-5.55, 14.936, 7.175, 1.208, 15.532, 7.818, -2.508, 17.855, 5.625, 
-4.572, 19.001, -3.613, -4.107, 18.666, -2.704, -7.75, 12.409, 
3.386, -18.18, 16.164, 6.563, -17.341, 16.649, 4.763, -14.018, 
18.443, 8.564, -11.84, 11.985, 14.693, -4.509, 7.456, 16.258, 
-7.132, 6.434, 11.881, -14.028, 10.655, 12.932, -16.619, 18.051, 
-7.229, 6.714, 21.652, -6.572, 7.7, 23.632, -8.613, 5.123, 24.082, 
-5.417, 3.065, 22.962, -1.857, 2.371, 21.065, 0.299, 4.872, 20.787, 
-2.443, 7.492, 20.001, -11.513, 8.524, 17.847, -13.806, 6.381, 
20.834, -16.125, 5.996, 26.167, -14.058, 4.337, 15.786, -13.813, 
11.074, 13.749, -14.524, 7.956, 10.738, -12.135, 7.944, 8.493, 
-14.567, 5.933, 14.423, -2.637, 7.11, 14.228, -5.856, 5.148, 
12.779, -5.295, 1.662, 12.653, -6.493, -1.961, 8.345, -9.707, 
2.62, 12.996, 2.001, 6.206, 10.761, 3.973, 3.851, 5.9, 0.544, 
-0.187, 20.63, 4.149, -2.397, 23.152, -1.038, -2.104, 22.705, 
-3.783, -4.76, 18.746, -7.927, -8.157, 20.621, 6.145, -9.867, 
12.235, -4.847, -5.329, 10.206, -6.019, -8.297, 7.165, -8.887, 
-2.605, 7.752, -5.964, 2.39, 5.831, 4.545, -1.113, 4.948, 8.258, 
-1.554, 3.64, -1.184, -9.854, 3.836, -3.971, -7.258, 5.193, 0.809, 
-5.111, 2.049, -1.074, -4.061, 4.127, -2.681, -1.314, 2.641, 
2.546, -0.113, 2.949, 3.94, 4.681, 12.924, 6.969, 7.094, 12.086, 
8.074, 3.53), .Dim = as.integer(c(3, 63))), yamino = c("S", "V", 
"G", "M", "L", "N", "Y", "C", "G", "P", "F", "M", "Y", "H", "S", 
"V", "F", "L", "M", "E", "G", "C", "S", "S", "G", "I", "G", "L", 
"R", "D", "T", "L", "D", "V", "R", "N", "A", "G", "L", "V", "T", 
"G", "K", "V", "T", "A", "K", "F", "G", "L", "V", "N", "G", "L", 
"D", "V", "C", "A", "S", "F", "E", "I", "E"), ygroup = c(3, 1, 
4, 1, 1, 3, 3, 3, 4, 1, 1, 1, 3, 3, 3, 1, 1, 1, 1, 2, 4, 3, 3, 
3, 4, 1, 4, 1, 2, 2, 3, 1, 2, 1, 2, 3, 1, 4, 1, 1, 3, 4, 2, 1, 
3, 1, 2, 1, 4, 1, 1, 3, 4, 1, 2, 1, 3, 1, 3, 1, 2, 1, 2), yseq = c(142, 
143, 144, 147, 149, 152, 155, 185, 186, 187, 192, 193, 218, 221, 
222, 225, 259, 262, 279, 282, 9, 10, 11, 12, 13, 14, 15, 36, 
37, 38, 41, 64, 65, 66, 67, 90, 91, 92, 93, 113, 140, 141, 159, 
188, 190, 191, 195, 226, 94, 95, 110, 114, 145, 146, 153, 154, 
156, 157, 158, 160, 163, 183, 184), ypdb = "1a27"), .Names = c("x", 
"xamino", "xgroup", "xseq", "xpdb", "y", "yamino", "ygroup", 
"yseq", "ypdb"))