# Number of dimensions 3 #INAME 1 H #INAME 2 C #INAME 3 H 1 4.304 56.164 0.115 4 U 5.786e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 2 4.304 56.164 0.831 4 U 6.763e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 3 4.304 56.164 1.604 3 U 3.591e+03 0.00e+00 - 0 1312 979 1655 0 # 14 ARG HA 4 4.304 56.164 1.765 3 U 2.412e+03 0.00e+00 - 0 1312 979 1390 0 # 14 ARG HA 5 4.304 56.164 1.882 3 U 4.443e+03 0.00e+00 - 0 1312 979 1653 0 # 14 ARG HA 6 4.304 56.164 3.141 3 U 1.364e+03 0.00e+00 - 0 1312 979 1657 0 # 14 ARG HA 7 4.304 56.164 3.988 3 U 7.728e+02 0.00e+00 - 0 1312 979 1311 0 # 14 ARG HA 8 4.304 56.164 8.620 3 U 1.658e+03 0.00e+00 - 0 1312 979 85 0 # 14 ARG HA 9 1.773 30.629 3.154 3 U -1.277e+03 0.00e+00 - 0 1390 980 1657 0 # 14 ARG HB2 10 1.773 30.629 4.311 3 U -1.446e+03 0.00e+00 - 0 1390 980 1312 0 # 14 ARG HB2 11 1.873 30.629 3.154 3 U -1.247e+03 0.00e+00 - 0 1653 980 1657 0 # 14 ARG HB3 12 1.873 30.629 4.312 3 U -2.329e+03 0.00e+00 - 0 1653 980 1312 0 # 14 ARG HB3 13 1.598 27.105 3.146 3 U -3.217e+03 0.00e+00 - 0 1655 1654 1657 0 # 14 ARG HG 14 3.151 43.215 1.612 4 U -7.555e+03 0.00e+00 - 0 0 0 0 0 # 14 ARG HD 15 3.151 43.215 1.755 3 U -2.775e+03 0.00e+00 - 0 1657 1656 1390 0 # 14 ARG HD 16 3.151 43.215 1.867 3 U -2.314e+03 0.00e+00 - 0 1657 1656 1653 0 # 14 ARG HD 17 3.151 43.215 4.292 3 U -1.418e+03 0.00e+00 - 0 1657 1656 1312 0 # 14 ARG HD 18 4.230 57.031 8.620 3 U 9.535e+02 0.00e+00 - 0 1313 968 85 0 # 15 GLU HA 19 4.230 57.031 8.368 4 U 1.720e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 20 4.230 57.031 7.255 4 U 6.572e+02 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 21 4.230 57.031 2.288 4 U 3.323e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 22 4.230 57.031 2.037 4 U 4.898e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HA 23 1.987 29.806 4.233 4 U -2.498e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HB2 24 2.067 29.806 4.233 4 U -2.980e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HB3 25 2.282 36.260 8.642 3 U -7.316e+02 0.00e+00 - 0 1659 1660 85 0 # 15 GLU HG 26 2.282 36.260 4.247 4 U -4.823e+03 0.00e+00 - 0 0 0 0 0 # 15 GLU HG 27 4.662 53.490 2.813 3 U 4.795e+03 0.00e+00 - 0 1378 1011 1428 0 # 16 ASN HA 28 4.662 53.490 8.110 3 U 4.159e+03 0.00e+00 - 0 1378 1011 59 0 # 16 ASN HA 29 2.794 38.655 4.666 4 U -2.147e+03 0.00e+00 - 0 0 0 0 0 # 16 ASN HB2 30 2.835 38.655 4.666 4 U -2.036e+03 0.00e+00 - 0 0 0 0 0 # 16 ASN HB3 31 4.171 55.935 0.798 3 U 4.386e+03 0.00e+00 - 0 1379 1307 1666 0 # 17 LEU HA 32 4.171 55.935 1.396 3 U 2.299e+03 0.00e+00 - 0 1379 1307 1455 0 # 17 LEU HA 33 4.171 55.935 1.604 3 U 2.179e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HA 34 4.171 55.935 8.074 3 U 1.764e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HA 35 1.395 41.850 8.100 3 U -8.611e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HB2 36 1.395 41.850 4.176 3 U -1.761e+03 0.00e+00 - 0 1455 1308 1379 0 # 17 LEU HB2 37 1.395 41.850 1.609 3 U -1.677e+04 0.00e+00 - 0 0 0 0 0 # 17 LEU HB2 38 1.395 41.850 0.854 3 U -3.863e+03 0.00e+00 - 0 1455 1308 1856 0 # 17 LEU HB2 39 1.613 41.850 8.099 3 U -1.373e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU HB3 40 1.613 41.850 1.398 3 U -1.085e+04 0.00e+00 - 0 1482 1308 1455 0 # 17 LEU HB3 41 1.582 26.889 8.077 3 U -7.527e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HG 42 0.797 23.296 4.176 3 U -6.644e+03 0.00e+00 - 0 1666 1667 1379 0 # 17 LEU HD1 43 4.178 56.632 2.210 3 U 1.485e+03 0.00e+00 - 0 1772 1771 1769 0 # 20 GLN HA 44 4.178 56.632 2.430 3 U 1.892e+03 0.00e+00 - 0 1772 1771 1766 0 # 20 GLN HA 45 4.178 56.632 2.074 3 U 1.579e+03 0.00e+00 - 0 1772 1771 1770 0 # 20 GLN HA 46 2.064 28.664 8.023 4 U -8.239e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HB2 47 2.064 28.664 4.174 3 U -1.464e+03 0.00e+00 - 0 1770 1768 1772 0 # 20 GLN HB2 48 2.064 28.664 2.199 3 U -1.292e+04 0.00e+00 - 0 1770 1768 1769 0 # 20 GLN HB2 49 2.064 28.664 2.411 3 U -3.846e+03 0.00e+00 - 0 1770 1768 1766 0 # 20 GLN HB2 50 2.205 28.664 2.075 3 U -1.329e+04 0.00e+00 - 0 1769 1768 1770 0 # 20 GLN HB3 51 2.205 28.664 2.408 3 U -4.482e+03 0.00e+00 - 0 1769 1768 1766 0 # 20 GLN HB3 52 2.205 28.664 4.175 3 U -1.552e+03 0.00e+00 - 0 1769 1768 1772 0 # 20 GLN HB3 53 2.205 28.664 7.992 4 U -7.988e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HB3 54 2.417 34.031 8.019 4 U -1.069e+03 0.00e+00 - 0 0 0 0 0 # 20 GLN HG 55 2.417 34.031 7.471 3 U -1.229e+03 0.00e+00 - 0 1766 1767 191 0 # 20 GLN HG 56 2.417 34.031 6.901 3 U -5.129e+02 0.00e+00 - 0 1766 1767 1765 0 # 20 GLN HG 57 2.417 34.031 4.175 3 U -3.044e+03 0.00e+00 - 0 1766 1767 1772 0 # 20 GLN HG 58 4.602 53.930 9.434 3 U 1.884e+03 0.00e+00 - 0 1360 1033 95 0 # 23 LEU HA 59 4.602 53.930 1.124 3 U 1.087e+03 0.00e+00 - 0 1360 1033 1447 0 # 23 LEU HA 60 4.602 53.930 0.577 3 U 1.513e+03 0.00e+00 - 0 1360 1033 1668 0 # 23 LEU HA 61 1.139 43.204 0.579 3 U -8.721e+02 0.00e+00 - 0 1447 1034 1668 0 # 23 LEU HB2 62 1.139 43.204 0.731 3 U -1.554e+03 0.00e+00 - 0 1447 1034 1763 0 # 23 LEU HB2 63 1.139 43.204 1.424 3 U -7.868e+02 0.00e+00 - 0 1447 1034 1453 0 # 23 LEU HB2 64 1.139 43.204 1.749 3 U -4.220e+03 0.00e+00 - 0 1447 1034 1474 0 # 23 LEU HB2 65 1.139 43.204 4.610 3 U -8.330e+02 0.00e+00 - 0 1447 1034 1360 0 # 23 LEU HB2 66 1.139 43.204 7.445 3 U -4.923e+02 0.00e+00 - 0 1447 1034 127 0 # 23 LEU HB2 67 1.742 43.204 1.143 3 U -3.305e+03 0.00e+00 - 0 1474 1034 1447 0 # 23 LEU HB3 68 1.742 43.204 0.745 3 U -1.082e+03 0.00e+00 - 0 1474 1034 1763 0 # 23 LEU HB3 69 1.742 43.204 7.448 3 U -5.867e+02 0.00e+00 - 0 1474 1034 127 0 # 23 LEU HB3 70 1.567 26.894 7.453 3 U -8.340e+02 0.00e+00 - 0 1484 1483 127 0 # 23 LEU HG 71 1.567 26.894 0.598 3 U -1.809e+03 0.00e+00 - 0 1484 1483 1668 0 # 23 LEU HG 72 1.567 26.894 0.749 4 U -6.740e+03 0.00e+00 - 0 1484 1483 1763 0 # 23 LEU HG 73 0.580 22.165 9.436 3 U -1.167e+03 0.00e+00 - 0 1668 1762 95 0 # 23 LEU HD1 74 0.580 22.165 8.837 4 U -6.443e+02 0.00e+00 - 0 1668 1762 199 0 # 23 LEU HD1 75 0.580 22.165 8.474 3 U -7.647e+02 0.00e+00 - 0 1668 1762 13 0 # 23 LEU HD1 76 0.580 22.165 7.282 4 U -7.798e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU HD1 77 0.580 22.165 7.455 3 U -7.166e+02 0.00e+00 - 0 1668 1762 127 0 # 23 LEU HD1 78 0.580 22.165 4.282 3 U -3.959e+03 0.00e+00 - 0 1668 1762 1374 0 # 23 LEU HD1 79 0.580 22.165 2.947 3 U -7.065e+02 0.00e+00 - 0 1668 1762 1601 0 # 23 LEU HD1 80 0.580 22.165 3.097 3 U -7.266e+02 0.00e+00 - 0 1668 1762 1426 0 # 23 LEU HD1 81 0.743 26.407 1.144 3 U -2.238e+03 0.00e+00 - 0 1763 1764 1447 0 # 23 LEU HD2 82 0.743 26.407 4.611 3 U -5.136e+02 0.00e+00 - 0 1763 1764 1360 0 # 23 LEU HD2 83 0.743 26.407 7.229 4 U -1.028e+03 0.00e+00 - 0 0 0 0 0 # 23 LEU HD2 84 4.722 52.147 8.883 3 U 4.307e+03 0.00e+00 - 0 1359 983 51 0 # 24 ARG HA 85 1.506 34.188 0.848 4 U -8.370e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HB2 86 1.506 34.188 1.805 3 U -4.658e+03 0.00e+00 - 0 1446 984 1473 0 # 24 ARG HB2 87 1.506 34.188 4.720 3 U -9.894e+02 0.00e+00 - 0 1446 984 1359 0 # 24 ARG HB2 88 1.506 34.188 9.435 3 U -7.256e+02 0.00e+00 - 0 1446 984 95 0 # 24 ARG HB2 89 1.808 34.188 0.851 4 U -1.249e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 90 1.808 34.188 1.504 3 U -5.623e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 91 1.808 34.188 4.724 3 U -9.625e+02 0.00e+00 - 0 1473 984 1359 0 # 24 ARG HB3 92 1.808 34.188 8.863 3 U -5.626e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HB3 93 1.808 34.188 9.435 3 U -6.101e+02 0.00e+00 - 0 1473 984 95 0 # 24 ARG HB3 94 1.455 26.445 9.435 3 U -5.335e+02 0.00e+00 - 0 1487 1485 95 0 # 24 ARG HG2 95 1.455 26.445 3.304 3 U -5.938e+02 0.00e+00 - 0 1487 1485 1489 0 # 24 ARG HG2 96 3.168 41.889 1.479 3 U -1.679e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HD2 97 3.168 41.889 1.587 4 U -1.761e+03 0.00e+00 - 0 1490 1488 1486 0 # 24 ARG HD2 98 3.168 41.889 1.804 3 U -6.905e+02 0.00e+00 - 0 1490 1488 1473 0 # 24 ARG HD2 99 3.168 41.889 3.304 3 U -9.373e+03 0.00e+00 - 0 1490 1488 1489 0 # 24 ARG HD2 100 3.302 41.889 1.476 3 U -1.257e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG HD3 101 3.302 41.889 1.638 4 U -8.972e+02 0.00e+00 - 0 1489 1488 1486 0 # 24 ARG HD3 102 3.302 41.889 3.170 3 U -8.828e+03 0.00e+00 - 0 1489 1488 1490 0 # 24 ARG HD3 103 4.338 56.842 9.546 3 U 4.079e+03 0.00e+00 - 0 1314 920 3 0 # 25 GLU HA 104 4.338 56.842 8.876 3 U 8.924e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HA 105 4.338 56.842 5.402 3 U 2.085e+03 0.00e+00 - 0 1314 920 1376 0 # 25 GLU HA 106 4.338 56.842 2.051 4 U 1.352e+03 0.00e+00 - 0 1314 920 1670 0 # 25 GLU HA 107 4.338 56.842 1.941 3 U 1.316e+03 0.00e+00 - 0 1314 920 1392 0 # 25 GLU HA 108 4.338 56.842 0.661 3 U 2.074e+03 0.00e+00 - 0 1314 920 1595 0 # 25 GLU HA 109 1.933 30.696 8.864 3 U -1.070e+03 0.00e+00 - 0 1392 921 51 0 # 25 GLU HB 110 1.933 30.696 4.340 3 U -8.440e+02 0.00e+00 - 0 1392 921 1314 0 # 25 GLU HB 111 1.803 37.173 2.081 3 U -6.571e+03 0.00e+00 - 0 1671 1669 1670 0 # 25 GLU HG2 112 1.803 37.173 0.690 4 U -6.073e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HG2 113 1.803 37.173 4.341 3 U -9.710e+02 0.00e+00 - 0 1671 1669 1314 0 # 25 GLU HG2 114 1.803 37.173 7.527 4 U -7.758e+02 0.00e+00 - 0 1671 1669 179 0 # 25 GLU HG2 115 1.803 37.173 7.880 4 U -5.030e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU HG2 116 2.078 37.173 1.805 3 U -6.788e+03 0.00e+00 - 0 1670 1669 1671 0 # 25 GLU HG3 117 2.078 37.173 4.340 3 U -8.744e+02 0.00e+00 - 0 1670 1669 1314 0 # 25 GLU HG3 118 2.078 37.173 7.554 3 U -7.597e+02 0.00e+00 - 0 1670 1669 179 0 # 25 GLU HG3 119 2.078 37.173 8.874 3 U -5.292e+02 0.00e+00 - 0 1670 1669 51 0 # 25 GLU HG3 120 2.078 37.173 9.572 4 U -5.675e+02 0.00e+00 - 0 1670 1669 3 0 # 25 GLU HG3 121 4.383 55.481 0.744 3 U 2.358e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 122 4.383 55.481 0.879 3 U 5.914e+03 0.00e+00 - 0 1315 850 1499 0 # 26 LEU HA 123 4.383 55.481 1.148 4 U 8.838e+02 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 124 4.383 55.481 1.278 3 U 1.904e+03 0.00e+00 - 0 1315 850 1429 0 # 26 LEU HA 125 4.383 55.481 1.449 3 U 1.453e+03 0.00e+00 - 0 1315 850 1497 0 # 26 LEU HA 126 4.383 55.481 1.698 3 U 4.998e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HA 127 4.383 55.481 9.572 4 U 1.121e+03 0.00e+00 - 0 1315 850 3 0 # 26 LEU HA 128 4.383 55.481 7.529 4 U 5.573e+02 0.00e+00 - 0 1315 850 179 0 # 26 LEU HA 129 1.276 44.776 0.741 4 U -2.868e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB2 130 1.276 44.776 0.878 3 U -1.319e+03 0.00e+00 - 0 1429 851 1499 0 # 26 LEU HB2 131 1.276 44.776 1.723 3 U -3.863e+03 0.00e+00 - 0 1429 851 1456 0 # 26 LEU HB2 132 1.276 44.776 4.395 3 U -9.965e+02 0.00e+00 - 0 1429 851 1315 0 # 26 LEU HB2 133 1.276 44.776 9.553 3 U -8.199e+02 0.00e+00 - 0 1429 851 3 0 # 26 LEU HB2 134 1.719 44.776 0.743 4 U -2.397e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 135 1.719 44.776 1.287 3 U -4.277e+03 0.00e+00 - 0 1456 851 1429 0 # 26 LEU HB3 136 1.719 44.776 1.422 3 U -2.631e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 137 1.719 44.776 4.391 3 U -9.440e+02 0.00e+00 - 0 1456 851 1315 0 # 26 LEU HB3 138 1.719 44.776 7.555 3 U -9.554e+02 0.00e+00 - 0 1456 851 179 0 # 26 LEU HB3 139 1.719 44.776 9.545 3 U -1.052e+03 0.00e+00 - 0 1456 851 3 0 # 26 LEU HB3 141 0.722 25.759 8.808 3 U -1.717e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 142 0.722 25.759 8.096 3 U -8.330e+02 0.00e+00 - 0 1673 1672 105 0 # 27 LEU HD1 143 0.722 25.759 7.528 3 U -8.370e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 144 0.722 25.759 5.543 3 U -1.028e+03 0.00e+00 - 0 1673 1672 1317 0 # 27 LEU HD1 145 0.722 25.759 4.694 3 U -1.758e+03 0.00e+00 - 0 1673 1672 1316 0 # 27 LEU HD1 146 0.722 25.759 4.367 3 U -1.299e+03 0.00e+00 - 0 1673 1672 1677 0 # 27 LEU HD1 147 0.722 25.759 3.896 3 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 148 0.722 25.759 2.224 3 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 149 0.722 25.759 2.104 4 U -1.263e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 150 0.722 25.759 1.807 3 U -6.306e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD1 151 0.716 27.675 7.552 3 U -7.607e+02 0.00e+00 - 0 1675 1674 179 0 # 27 LEU HD2 152 0.716 27.675 4.695 3 U -7.667e+02 0.00e+00 - 0 1675 1674 1316 0 # 27 LEU HD2 153 0.716 27.675 4.313 3 U -5.505e+02 0.00e+00 - 0 1675 1674 1367 0 # 27 LEU HD2 154 0.716 27.675 1.980 3 U -1.660e+03 0.00e+00 - 0 1675 1674 1423 0 # 27 LEU HD2 155 0.716 27.675 1.834 4 U -5.543e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD2 156 0.716 27.675 1.556 3 U -1.691e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HD2 157 0.716 27.675 2.114 3 U -1.116e+03 0.00e+00 - 0 1675 1674 1399 0 # 27 LEU HD2 158 4.682 54.504 8.808 3 U 4.256e+03 0.00e+00 - 0 1316 1085 111 0 # 27 LEU HA 159 4.682 54.504 1.803 3 U 6.412e+03 0.00e+00 - 0 1316 1085 1393 0 # 27 LEU HA 160 4.682 54.504 0.714 3 U 1.824e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HA 161 1.806 44.314 8.808 3 U -1.200e+03 0.00e+00 - 0 1393 1086 111 0 # 27 LEU HB2 162 1.806 44.314 4.691 3 U -2.104e+03 0.00e+00 - 0 1393 1086 1316 0 # 27 LEU HB2 163 1.806 44.314 4.285 3 U -7.356e+02 0.00e+00 - 0 1393 1086 1367 0 # 27 LEU HB2 164 1.806 44.314 1.451 3 U -1.436e+03 0.00e+00 - 0 1393 1086 1504 0 # 27 LEU HB2 165 1.806 44.314 0.851 3 U -1.049e+03 0.00e+00 - 0 1393 1086 1588 0 # 27 LEU HB2 166 1.806 44.314 0.730 4 U -3.004e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HB2 167 1.857 44.314 8.808 3 U -1.157e+03 0.00e+00 - 0 1503 1086 111 0 # 27 LEU HB3 168 1.857 44.314 4.692 3 U -1.823e+03 0.00e+00 - 0 1503 1086 1316 0 # 27 LEU HB3 169 1.857 44.314 1.451 3 U -9.028e+02 0.00e+00 - 0 1503 1086 1504 0 # 27 LEU HB3 170 1.857 44.314 0.852 3 U -5.583e+02 0.00e+00 - 0 1503 1086 1588 0 # 27 LEU HB3 171 1.857 44.314 0.728 4 U -2.402e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HB3 172 1.423 26.910 0.741 3 U -6.057e+03 0.00e+00 - 0 1497 1498 1501 0 # 26 LEU HG 173 0.884 24.433 8.741 3 U -1.011e+03 0.00e+00 - 0 1499 1500 151 0 # 26 LEU HD1 174 0.884 24.433 4.392 3 U -6.644e+03 0.00e+00 - 0 1499 1500 1315 0 # 26 LEU HD1 175 0.884 24.433 3.849 3 U -3.522e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD1 176 0.884 24.433 1.287 3 U -4.283e+03 0.00e+00 - 0 1499 1500 1429 0 # 26 LEU HD1 177 0.884 24.433 1.533 3 U -9.237e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD1 178 0.884 24.433 1.448 4 U -9.384e+03 0.00e+00 - 0 1499 1500 1497 0 # 26 LEU HD1 179 0.731 27.326 0.088 3 U -2.655e+03 0.00e+00 - 0 1501 1502 1533 0 # 26 LEU HD2 180 0.731 27.326 1.286 3 U -2.803e+03 0.00e+00 - 0 1501 1502 1429 0 # 26 LEU HD2 181 0.731 27.326 1.726 3 U -3.245e+03 0.00e+00 - 0 1501 1502 1456 0 # 26 LEU HD2 182 5.544 53.975 0.717 3 U 8.703e+02 0.00e+00 - 0 1317 1004 1673 0 # 28 ARG HA 183 5.544 53.975 0.917 3 U 6.120e+02 0.00e+00 - 0 1317 1004 1678 0 # 28 ARG HA 184 5.544 53.975 1.536 3 U 1.787e+03 0.00e+00 - 0 1317 1004 1430 0 # 28 ARG HA 185 5.544 53.975 1.641 3 U 1.364e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HA 186 5.544 53.975 2.017 3 U 1.724e+03 0.00e+00 - 0 1317 1004 1457 0 # 28 ARG HA 187 5.544 53.975 4.941 3 U 2.519e+03 0.00e+00 - 0 1317 1004 1372 0 # 28 ARG HA 188 5.544 53.975 8.891 3 U 3.733e+03 0.00e+00 - 0 1317 1004 157 0 # 28 ARG HA 189 5.544 53.975 8.783 3 U 1.115e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HA 190 1.534 33.390 2.023 3 U -4.351e+03 0.00e+00 - 0 1430 1005 1457 0 # 28 ARG HB2 191 1.534 33.390 5.539 3 U -1.245e+03 0.00e+00 - 0 1430 1005 1317 0 # 28 ARG HB2 192 2.015 33.390 1.535 3 U -5.696e+03 0.00e+00 - 0 1457 1005 1430 0 # 28 ARG HB3 194 2.015 33.390 5.539 3 U -1.087e+03 0.00e+00 - 0 1457 1005 1317 0 # 28 ARG HB3 195 1.596 24.640 2.019 3 U -1.050e+03 0.00e+00 - 0 1506 1507 1457 0 # 28 ARG HG 196 1.596 24.640 3.247 3 U -8.199e+02 0.00e+00 - 0 1506 1507 1509 0 # 28 ARG HG 197 1.596 24.640 2.947 3 U -4.540e+02 0.00e+00 - 0 1506 1507 1510 0 # 28 ARG HG 198 2.950 43.786 1.559 4 U -1.928e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 199 2.950 43.786 1.646 3 U -1.713e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 200 2.950 43.786 1.996 4 U -6.854e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG HD2 201 2.950 43.786 3.249 3 U -7.226e+03 0.00e+00 - 0 1510 1508 1509 0 # 28 ARG HD2 202 3.241 43.786 1.586 3 U -3.032e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HD3 203 3.241 43.786 2.949 3 U -7.351e+03 0.00e+00 - 0 1509 1508 1510 0 # 28 ARG HD3 204 4.377 67.094 0.715 3 U 1.776e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HB 205 4.377 67.094 0.932 3 U 3.898e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HB 207 0.920 19.071 8.894 3 U 3.126e+03 0.00e+00 - 0 1678 1679 157 0 # 29 THR HG2 208 0.920 19.071 8.319 3 U 1.252e+03 0.00e+00 - 0 1678 1679 143 0 # 29 THR HG2 209 0.920 19.071 5.539 3 U 9.378e+02 0.00e+00 - 0 1678 1679 1317 0 # 29 THR HG2 210 0.920 19.071 4.378 3 U 4.864e+03 0.00e+00 - 0 1678 1679 1677 0 # 29 THR HG2 211 0.920 19.071 3.721 3 U 1.017e+03 0.00e+00 - 0 1678 1679 1323 0 # 29 THR HG2 212 0.920 19.071 3.148 3 U 6.944e+02 0.00e+00 - 0 1678 1679 1459 0 # 29 THR HG2 213 0.920 19.071 2.569 3 U 7.658e+02 0.00e+00 - 0 1678 1679 1432 0 # 29 THR HG2 214 0.920 19.071 1.938 3 U 1.404e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HG2 215 0.920 19.071 1.588 3 U 5.745e+03 0.00e+00 - 0 0 0 0 0 # 29 THR HG2 216 0.920 19.071 1.416 3 U 1.884e+03 0.00e+00 - 0 1678 1679 1515 0 # 29 THR HG2 217 5.122 51.942 4.313 3 U 1.152e+03 0.00e+00 - 0 1318 1680 1733 0 # 30 ASN HA 218 5.122 51.942 2.678 3 U 1.966e+03 0.00e+00 - 0 1318 1680 1458 0 # 30 ASN HA 219 5.122 51.942 2.838 3 U 2.085e+03 0.00e+00 - 0 1318 1680 1431 0 # 30 ASN HA 220 2.835 39.244 7.774 3 U -1.086e+03 0.00e+00 - 0 0 0 0 0 # 30 ASN HB2 221 2.835 39.244 0.936 4 U -9.326e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB2 222 2.835 39.244 5.128 3 U -1.689e+03 0.00e+00 - 0 1431 1681 1318 0 # 30 ASN HB2 223 2.682 39.244 5.128 3 U -1.500e+03 0.00e+00 - 0 1458 1681 1318 0 # 30 ASN HB3 224 4.622 53.481 8.833 3 U 4.602e+03 0.00e+00 - 0 1319 886 1 0 # 31 ASP HA 225 4.622 53.481 2.554 3 U 1.656e+03 0.00e+00 - 0 1319 886 1432 0 # 31 ASP HA 226 2.559 41.641 8.945 3 U -1.518e+03 0.00e+00 - 0 1432 887 31 0 # 31 ASP HB2 227 2.559 41.641 0.970 3 U -7.065e+02 0.00e+00 - 0 1432 887 1686 0 # 31 ASP HB2 228 2.559 41.641 1.944 3 U -6.473e+02 0.00e+00 - 0 1432 887 1460 0 # 31 ASP HB2 229 2.559 41.641 3.141 3 U -6.338e+03 0.00e+00 - 0 1432 887 1459 0 # 31 ASP HB2 230 2.559 41.641 4.626 3 U -1.289e+03 0.00e+00 - 0 1432 887 1319 0 # 31 ASP HB2 231 3.145 41.641 2.562 3 U -5.840e+03 0.00e+00 - 0 1459 887 1432 0 # 31 ASP HB3 232 3.145 41.641 1.933 3 U -8.886e+02 0.00e+00 - 0 1459 887 1460 0 # 31 ASP HB3 233 3.145 41.641 8.960 3 U -1.222e+03 0.00e+00 - 0 1459 887 31 0 # 31 ASP HB3 234 4.000 54.817 0.759 4 U 3.170e+03 0.00e+00 - 0 0 0 0 0 # 32 ALA HA 235 4.000 54.817 1.531 3 U 1.321e+04 0.00e+00 - 0 0 0 0 0 # 32 ALA HA 236 4.000 54.817 8.153 3 U 8.010e+02 0.00e+00 - 0 1320 846 87 0 # 32 ALA HA 237 4.000 54.817 8.339 3 U 8.723e+02 0.00e+00 - 0 1320 846 143 0 # 32 ALA HA 238 1.535 19.373 1.069 3 U 2.117e+03 0.00e+00 - 0 1394 847 1512 0 # 32 ALA HB 239 1.535 19.373 4.005 3 U 1.099e+04 0.00e+00 - 0 1394 847 1320 0 # 32 ALA HB 240 1.535 19.373 4.619 3 U 7.055e+02 0.00e+00 - 0 1394 847 1319 0 # 32 ALA HB 241 1.535 19.373 8.142 3 U 2.171e+03 0.00e+00 - 0 1394 847 87 0 # 32 ALA HB 242 1.535 19.373 8.837 3 U 5.271e+03 0.00e+00 - 0 1394 847 1 0 # 32 ALA HB 243 3.706 65.779 8.128 3 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL HA 244 3.706 65.779 7.937 3 U 7.185e+02 0.00e+00 - 0 1321 972 161 0 # 33 VAL HA 245 3.706 65.779 7.498 4 U 7.266e+02 0.00e+00 - 0 1321 972 33 0 # 33 VAL HA 246 3.706 65.779 4.040 3 U 4.670e+03 0.00e+00 - 0 1321 972 1397 0 # 33 VAL HA 247 3.706 65.779 2.369 3 U 2.159e+03 0.00e+00 - 0 1321 972 1395 0 # 33 VAL HA 248 3.706 65.779 1.558 4 U 1.198e+03 0.00e+00 - 0 1321 972 1394 0 # 33 VAL HA 249 3.706 65.779 1.070 3 U 6.757e+03 0.00e+00 - 0 1321 972 1512 0 # 33 VAL HA 250 3.706 65.779 0.957 3 U 5.841e+03 0.00e+00 - 0 1321 972 1511 0 # 33 VAL HA 251 2.367 31.114 8.140 3 U -4.096e+03 0.00e+00 - 0 1395 973 87 0 # 33 VAL HB 252 2.367 31.114 7.534 3 U -2.053e+03 0.00e+00 - 0 1395 973 33 0 # 33 VAL HB 253 2.367 31.114 3.703 3 U -1.630e+03 0.00e+00 - 0 1395 973 1321 0 # 33 VAL HB 254 2.367 31.114 1.069 3 U -5.848e+03 0.00e+00 - 0 1395 973 1512 0 # 33 VAL HB 255 2.367 31.114 0.961 3 U -6.491e+03 0.00e+00 - 0 1395 973 1511 0 # 33 VAL HB 256 0.961 21.188 8.130 4 U 1.601e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL HG1 257 0.961 21.188 7.540 3 U 1.063e+03 0.00e+00 - 0 1511 1513 33 0 # 33 VAL HG1 258 0.961 21.188 4.046 3 U 6.804e+02 0.00e+00 - 0 1511 1513 1397 0 # 33 VAL HG1 259 0.961 21.188 3.712 3 U 5.785e+03 0.00e+00 - 0 1511 1513 1321 0 # 33 VAL HG1 260 0.961 21.188 2.374 3 U 8.738e+03 0.00e+00 - 0 1511 1513 1395 0 # 33 VAL HG1 261 1.073 22.464 8.143 3 U -6.435e+03 0.00e+00 - 0 1512 1514 87 0 # 33 VAL HG2 262 1.073 22.464 7.536 3 U -1.117e+03 0.00e+00 - 0 1512 1514 33 0 # 33 VAL HG2 263 1.073 22.464 3.712 3 U -9.828e+03 0.00e+00 - 0 1512 1514 1321 0 # 33 VAL HG2 264 1.073 22.464 2.370 3 U -1.003e+04 0.00e+00 - 0 1512 1514 1395 0 # 33 VAL HG2 265 4.202 57.066 8.116 4 U 9.165e+02 0.00e+00 - 0 1322 890 17 0 # 34 LEU HA 266 4.202 57.066 7.529 3 U 1.824e+03 0.00e+00 - 0 1322 890 33 0 # 34 LEU HA 267 4.202 57.066 1.560 3 U 5.351e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 268 4.202 57.066 1.420 3 U 1.493e+03 0.00e+00 - 0 1322 890 1515 0 # 34 LEU HA 269 4.202 57.066 0.959 3 U 5.922e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 270 1.571 40.767 7.528 3 U -1.267e+03 0.00e+00 - 0 1433 891 33 0 # 34 LEU HB2 271 1.571 40.767 4.204 3 U -1.367e+03 0.00e+00 - 0 1433 891 1322 0 # 34 LEU HB2 272 1.571 40.767 3.154 3 U -6.222e+02 0.00e+00 - 0 1433 891 1459 0 # 34 LEU HB2 273 1.571 40.767 0.960 4 U -2.486e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HB2 274 1.571 40.767 1.949 3 U -4.997e+03 0.00e+00 - 0 1433 891 1460 0 # 34 LEU HB2 275 1.571 40.767 1.427 3 U -2.048e+03 0.00e+00 - 0 1433 891 1515 0 # 34 LEU HB2 276 1.946 40.767 8.333 3 U -6.232e+02 0.00e+00 - 0 1460 891 143 0 # 34 LEU HB3 277 1.946 40.767 7.528 3 U -1.422e+03 0.00e+00 - 0 1460 891 33 0 # 34 LEU HB3 278 1.946 40.767 4.204 3 U -1.006e+03 0.00e+00 - 0 1460 891 1322 0 # 34 LEU HB3 279 1.946 40.767 3.182 4 U -6.252e+02 0.00e+00 - 0 1460 891 1459 0 # 34 LEU HB3 280 1.946 40.767 0.960 4 U -2.329e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HB3 281 1.946 40.767 1.429 3 U -1.798e+03 0.00e+00 - 0 1460 891 1515 0 # 34 LEU HB3 282 1.946 40.767 1.569 3 U -5.487e+03 0.00e+00 - 0 1460 891 1433 0 # 34 LEU HB3 283 1.424 27.373 4.207 3 U -1.014e+03 0.00e+00 - 0 1515 1516 1322 0 # 34 LEU HG 284 1.424 27.373 0.959 4 U -7.339e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HG 285 1.424 27.373 1.941 4 U -1.914e+03 0.00e+00 - 0 1515 1516 1460 0 # 34 LEU HG 286 0.946 24.215 7.523 3 U -6.292e+02 0.00e+00 - 0 1517 1518 33 0 # 34 LEU HD1 287 0.946 24.215 4.204 3 U -7.589e+03 0.00e+00 - 0 1517 1518 1322 0 # 34 LEU HD1 288 0.946 24.215 1.942 3 U -2.417e+03 0.00e+00 - 0 1517 1518 1460 0 # 34 LEU HD1 289 0.946 24.215 1.421 3 U -8.998e+03 0.00e+00 - 0 1517 1518 1515 0 # 34 LEU HD1 290 0.946 24.215 1.561 3 U -7.726e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD1 291 0.973 25.583 7.535 3 U -7.667e+02 0.00e+00 - 0 1686 1685 33 0 # 34 LEU HD2 292 0.973 25.583 4.377 3 U -2.013e+03 0.00e+00 - 0 1686 1685 1677 0 # 34 LEU HD2 293 0.973 25.583 4.207 3 U -6.101e+02 0.00e+00 - 0 1686 1685 1322 0 # 34 LEU HD2 294 0.973 25.583 3.140 3 U -9.582e+02 0.00e+00 - 0 1686 1685 1459 0 # 34 LEU HD2 295 0.973 25.583 2.555 3 U -7.095e+02 0.00e+00 - 0 1686 1685 1432 0 # 34 LEU HD2 296 0.973 25.583 2.214 3 U -1.934e+03 0.00e+00 - 0 1686 1685 1478 0 # 34 LEU HD2 297 0.973 25.583 2.088 3 U -2.675e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 298 0.973 25.583 1.941 3 U -4.470e+03 0.00e+00 - 0 1686 1685 1460 0 # 34 LEU HD2 299 0.973 25.583 1.426 3 U -6.146e+03 0.00e+00 - 0 1686 1685 1515 0 # 34 LEU HD2 300 0.973 25.583 1.573 3 U -6.226e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 301 3.722 58.197 0.742 3 U 6.460e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 302 3.722 58.197 0.852 3 U 1.191e+03 0.00e+00 - 0 1323 1047 1588 0 # 35 LEU HA 303 3.722 58.197 0.936 3 U 2.499e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 304 3.722 58.197 1.613 3 U 5.046e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 305 3.722 58.197 2.103 3 U 1.801e+03 0.00e+00 - 0 1323 1047 1399 0 # 35 LEU HA 306 3.722 58.197 8.327 3 U 2.020e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU HA 307 3.722 58.197 8.886 3 U 9.080e+02 0.00e+00 - 0 1323 1047 119 0 # 35 LEU HA 308 1.615 41.689 0.748 3 U -5.487e+03 0.00e+00 - 0 1396 1048 1523 0 # 35 LEU HB 309 1.615 41.689 0.853 3 U -4.334e+03 0.00e+00 - 0 1482 1308 1856 0 # 35 LEU HB 310 1.615 41.689 4.010 3 U -2.465e+03 0.00e+00 - 0 1396 1048 1320 0 # 35 LEU HB 311 1.615 41.689 3.720 3 U -2.420e+03 0.00e+00 - 0 1396 1048 1323 0 # 35 LEU HB 312 1.615 41.689 7.944 3 U -1.167e+03 0.00e+00 - 0 1396 1048 161 0 # 35 LEU HB 313 1.615 41.689 8.335 3 U -3.020e+03 0.00e+00 - 0 1396 1048 143 0 # 35 LEU HB 314 1.560 26.695 8.326 3 U -1.840e+03 0.00e+00 - 0 1520 1519 143 0 # 35 LEU HG 315 1.560 26.695 3.737 3 U -5.555e+02 0.00e+00 - 0 1520 1519 1323 0 # 35 LEU HG 316 1.558 26.680 0.742 3 U -6.869e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HG 317 0.738 24.653 8.887 3 U -7.487e+02 0.00e+00 - 0 1523 1522 157 0 # 35 LEU HD 318 0.738 24.653 8.323 3 U -1.281e+03 0.00e+00 - 0 1523 1522 143 0 # 35 LEU HD 319 0.738 24.653 7.940 4 U -1.215e+03 0.00e+00 - 0 1523 1522 161 0 # 35 LEU HD 320 0.738 24.653 4.005 3 U -2.506e+03 0.00e+00 - 0 1523 1522 1320 0 # 35 LEU HD 321 0.738 24.653 3.223 3 U -1.107e+03 0.00e+00 - 0 1523 1522 1757 0 # 35 LEU HD 322 0.738 24.653 3.109 3 U -1.381e+03 0.00e+00 - 0 1523 1522 1758 0 # 35 LEU HD 323 0.738 24.653 3.726 3 U -6.724e+03 0.00e+00 - 0 1523 1522 1323 0 # 35 LEU HD 324 0.738 24.653 1.889 4 U -3.635e+03 0.00e+00 - 0 1523 1522 1756 0 # 35 LEU HD 325 0.738 24.653 2.078 4 U -1.667e+03 0.00e+00 - 0 1523 1522 1399 0 # 35 LEU HD 326 0.738 24.653 1.588 4 U -1.337e+04 0.00e+00 - 0 0 0 0 0 # 35 LEU HD 327 4.274 61.278 7.937 3 U 1.963e+03 0.00e+00 - 0 1324 1081 161 0 # 36 SER HA 328 4.274 61.278 8.101 4 U 9.591e+02 0.00e+00 - 0 0 0 0 0 # 36 SER HA 329 4.274 61.278 8.290 3 U 9.833e+02 0.00e+00 - 0 1324 1081 223 0 # 36 SER HA 330 4.274 61.278 4.038 3 U 3.130e+03 0.00e+00 - 0 1324 1081 1397 0 # 36 SER HA 331 4.274 61.278 1.583 4 U 5.011e+02 0.00e+00 - 0 0 0 0 0 # 36 SER HA 332 4.032 62.411 8.113 3 U 1.923e+03 0.00e+00 - 0 1397 1082 17 0 # 36 SER HB 333 4.032 62.411 7.941 3 U 4.415e+03 0.00e+00 - 0 1397 1082 161 0 # 36 SER HB 334 4.032 62.411 4.282 3 U 3.812e+03 0.00e+00 - 0 1397 1082 1324 0 # 36 SER HB 335 4.032 62.411 3.712 3 U 1.740e+03 0.00e+00 - 0 1397 1082 1321 0 # 36 SER HB 336 4.032 62.411 0.970 3 U 5.047e+02 0.00e+00 - 0 1397 1082 1511 0 # 36 SER HB 337 4.032 62.411 1.561 3 U 1.114e+03 0.00e+00 - 0 1397 1082 1398 0 # 36 SER HB 338 4.204 54.832 0.963 4 U 5.864e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA HA 339 4.204 54.832 1.552 3 U 1.093e+04 0.00e+00 - 0 0 0 0 0 # 37 ALA HA 340 4.204 54.832 7.742 4 U 9.719e+02 0.00e+00 - 0 1325 868 67 0 # 37 ALA HA 341 4.204 54.832 8.124 3 U 2.270e+03 0.00e+00 - 0 1325 868 17 0 # 37 ALA HA 342 4.204 54.832 8.895 3 U 8.422e+02 0.00e+00 - 0 1325 868 119 0 # 37 ALA HA 343 1.558 18.147 8.882 3 U 3.704e+03 0.00e+00 - 0 1398 869 119 0 # 37 ALA HB 344 1.558 18.147 8.118 3 U 8.533e+03 0.00e+00 - 0 1398 869 17 0 # 37 ALA HB 345 1.558 18.147 4.203 3 U 1.611e+04 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 346 1.558 18.147 4.059 3 U 1.519e+03 0.00e+00 - 0 1398 869 1397 0 # 37 ALA HB 347 1.558 18.147 2.094 3 U 1.390e+03 0.00e+00 - 0 1398 869 1399 0 # 37 ALA HB 348 1.558 18.147 0.960 4 U 4.460e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 349 1.558 18.147 0.734 3 U 2.973e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA HB 350 3.405 66.303 8.878 3 U 1.728e+03 0.00e+00 - 0 1326 1019 119 0 # 38 VAL HA 351 3.405 66.303 8.319 3 U 5.708e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 352 3.405 66.303 7.882 3 U 1.096e+03 0.00e+00 - 0 1326 1019 81 0 # 38 VAL HA 353 3.405 66.303 2.108 3 U 1.503e+03 0.00e+00 - 0 1326 1019 1399 0 # 38 VAL HA 354 3.405 66.303 1.900 3 U 1.847e+03 0.00e+00 - 0 1326 1019 1461 0 # 38 VAL HA 355 3.405 66.303 1.743 3 U 6.331e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 356 3.405 66.303 1.444 3 U 7.386e+02 0.00e+00 - 0 1326 1019 1442 0 # 38 VAL HA 357 3.405 66.303 1.322 3 U 1.066e+03 0.00e+00 - 0 1326 1019 1434 0 # 38 VAL HA 358 3.405 66.303 0.960 3 U 4.295e+03 0.00e+00 - 0 1326 1019 1528 0 # 38 VAL HA 359 3.405 66.303 0.849 3 U 1.850e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 360 3.405 66.303 0.744 3 U 6.878e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HA 361 2.101 31.568 8.878 3 U -3.197e+03 0.00e+00 - 0 1399 1020 119 0 # 38 VAL HB 362 2.101 31.568 8.293 3 U -1.365e+03 0.00e+00 - 0 1399 1020 223 0 # 38 VAL HB 363 2.101 31.568 3.724 3 U -1.452e+03 0.00e+00 - 0 1399 1020 1323 0 # 38 VAL HB 364 2.101 31.568 3.412 3 U -1.544e+03 0.00e+00 - 0 1399 1020 1326 0 # 38 VAL HB 365 2.101 31.568 0.848 4 U -1.293e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 366 2.101 31.568 0.960 3 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 367 2.101 31.568 0.742 3 U -5.704e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HB 368 0.736 21.526 8.878 3 U -1.309e+03 0.00e+00 - 0 1527 1525 119 0 # 38 VAL HG1 369 0.736 21.526 8.313 4 U -1.462e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 370 0.736 21.526 3.408 3 U -3.692e+03 0.00e+00 - 0 1527 1525 1326 0 # 38 VAL HG1 371 0.736 21.526 2.103 3 U -5.238e+03 0.00e+00 - 0 1527 1525 1399 0 # 38 VAL HG1 372 0.736 21.526 1.854 4 U -9.312e+02 0.00e+00 - 0 1527 1525 1503 0 # 38 VAL HG1 373 0.736 21.526 1.719 4 U -1.999e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 374 0.736 21.526 1.094 3 U -3.189e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 375 0.736 21.526 1.425 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 376 0.736 21.526 1.207 4 U -1.245e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 377 0.736 21.526 0.960 4 U -1.130e+04 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 378 0.736 21.526 0.085 4 U -3.993e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG1 379 0.964 23.755 8.881 3 U -5.599e+03 0.00e+00 - 0 1528 1526 119 0 # 38 VAL HG2 380 0.964 23.755 8.299 3 U -1.265e+03 0.00e+00 - 0 1528 1526 223 0 # 38 VAL HG2 381 0.964 23.755 8.115 3 U -6.533e+02 0.00e+00 - 0 1528 1526 17 0 # 38 VAL HG2 382 0.964 23.755 3.726 3 U -1.846e+03 0.00e+00 - 0 1528 1526 1323 0 # 38 VAL HG2 383 0.964 23.755 3.408 3 U -6.660e+03 0.00e+00 - 0 1528 1526 1326 0 # 38 VAL HG2 384 0.964 23.755 2.103 3 U -7.612e+03 0.00e+00 - 0 1528 1526 1399 0 # 38 VAL HG2 385 0.964 23.755 1.423 3 U -4.266e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL HG2 386 0.964 23.755 1.547 3 U -3.630e+03 0.00e+00 - 0 1528 1526 1398 0 # 38 VAL HG2 387 3.383 47.661 1.393 3 U -6.794e+02 0.00e+00 - 0 1384 1107 1435 0 # 39 GLY HA2 388 3.383 47.661 3.911 3 U -1.001e+04 0.00e+00 - 0 1384 1107 1389 0 # 39 GLY HA2 389 3.383 47.661 7.740 3 U -9.000e+02 0.00e+00 - 0 1384 1107 67 0 # 39 GLY HA2 390 3.383 47.661 8.302 3 U -2.574e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY HA2 391 3.383 47.661 8.103 4 U -6.137e+02 0.00e+00 - 0 0 0 0 0 # 39 GLY HA2 392 3.907 47.661 3.385 3 U -1.040e+04 0.00e+00 - 0 1389 1107 1384 0 # 39 GLY HA3 393 3.907 47.661 8.297 3 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY HA3 394 3.907 47.661 7.740 3 U -1.089e+03 0.00e+00 - 0 1389 1107 67 0 # 39 GLY HA3 395 4.278 54.697 1.533 3 U 1.049e+04 0.00e+00 - 0 0 0 0 0 # 40 ALA HA 396 4.278 54.697 2.896 3 U 2.406e+03 0.00e+00 - 0 1327 1309 1463 0 # 40 ALA HA 397 4.278 54.697 2.732 3 U 7.236e+02 0.00e+00 - 0 1327 1309 1436 0 # 40 ALA HA 398 4.278 54.697 7.741 3 U 1.949e+03 0.00e+00 - 0 1327 1309 67 0 # 40 ALA HA 399 4.278 54.697 7.876 3 U 8.572e+02 0.00e+00 - 0 1327 1309 81 0 # 40 ALA HA 400 4.278 54.697 8.155 3 U 7.819e+02 0.00e+00 - 0 1327 1309 221 0 # 40 ALA HA 401 4.278 54.697 8.947 3 U 9.321e+02 0.00e+00 - 0 1327 1309 99 0 # 40 ALA HA 402 1.525 18.269 3.402 3 U 6.894e+02 0.00e+00 - 0 1400 1310 1384 0 # 40 ALA HB 403 1.525 18.269 2.896 3 U 8.100e+02 0.00e+00 - 0 1400 1310 1463 0 # 40 ALA HB 404 1.525 18.269 4.274 3 U 1.292e+04 0.00e+00 - 0 1400 1310 1327 0 # 40 ALA HB 405 1.525 18.269 7.737 3 U 1.011e+04 0.00e+00 - 0 1400 1310 67 0 # 40 ALA HB 406 1.525 18.269 7.883 3 U 5.014e+03 0.00e+00 - 0 1400 1310 81 0 # 40 ALA HB 407 1.525 18.269 8.307 4 U 8.381e+02 0.00e+00 - 0 1400 1310 223 0 # 40 ALA HB 408 4.078 57.296 8.318 3 U 6.492e+02 0.00e+00 - 0 1328 960 117 0 # 41 LEU HA 409 4.078 57.296 8.170 3 U 9.108e+02 0.00e+00 - 0 1328 960 221 0 # 41 LEU HA 410 4.078 57.296 7.887 3 U 2.571e+03 0.00e+00 - 0 1328 960 81 0 # 41 LEU HA 411 4.078 57.296 1.911 3 U 2.213e+03 0.00e+00 - 0 1328 960 1461 0 # 41 LEU HA 412 4.078 57.296 1.751 3 U 2.054e+03 0.00e+00 - 0 1328 960 1492 0 # 41 LEU HA 413 4.078 57.296 1.532 3 U 1.017e+03 0.00e+00 - 0 1328 960 1400 0 # 41 LEU HA 414 4.078 57.296 1.333 3 U 3.054e+03 0.00e+00 - 0 1328 960 1434 0 # 41 LEU HA 415 4.078 57.296 0.851 3 U 7.079e+03 0.00e+00 - 0 1328 960 1493 0 # 41 LEU HA 416 4.078 57.296 0.771 3 U 2.632e+03 0.00e+00 - 0 1328 960 1496 0 # 41 LEU HA 417 1.331 42.534 8.328 3 U -8.360e+02 0.00e+00 - 0 1434 961 117 0 # 41 LEU HB2 418 1.331 42.534 7.885 3 U -1.520e+03 0.00e+00 - 0 1434 961 81 0 # 41 LEU HB2 419 1.331 42.534 4.082 3 U -2.175e+03 0.00e+00 - 0 1434 961 1328 0 # 41 LEU HB2 420 1.331 42.534 3.413 3 U -5.129e+02 0.00e+00 - 0 1434 961 1326 0 # 41 LEU HB2 421 1.331 42.534 1.914 3 U -1.203e+04 0.00e+00 - 0 1434 961 1461 0 # 41 LEU HB2 422 1.331 42.534 1.743 4 U -2.394e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 423 1.331 42.534 0.852 4 U -5.021e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 424 1.331 42.534 0.772 3 U -3.971e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB2 425 1.909 42.534 8.318 3 U -1.536e+03 0.00e+00 - 0 1461 961 117 0 # 41 LEU HB3 426 1.909 42.534 7.888 3 U -2.619e+03 0.00e+00 - 0 1461 961 81 0 # 41 LEU HB3 427 1.909 42.534 4.081 3 U -1.434e+03 0.00e+00 - 0 1461 961 1328 0 # 41 LEU HB3 428 1.909 42.534 3.412 3 U -1.450e+03 0.00e+00 - 0 1461 961 1326 0 # 41 LEU HB3 429 1.909 42.534 0.770 3 U -3.382e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 430 1.909 42.534 0.851 4 U -2.583e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 431 1.909 42.534 1.335 3 U -1.086e+04 0.00e+00 - 0 1461 961 1434 0 # 41 LEU HB3 432 1.909 42.534 1.753 3 U -3.579e+03 0.00e+00 - 0 1461 961 1492 0 # 41 LEU HB3 433 1.749 26.902 8.075 3 U -8.310e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU HG 434 1.749 26.902 7.884 3 U -2.232e+03 0.00e+00 - 0 1492 1491 81 0 # 41 LEU HG 435 1.749 26.902 4.068 3 U -2.643e+03 0.00e+00 - 0 1492 1491 1328 0 # 41 LEU HG 436 1.749 26.902 0.852 3 U -3.350e+03 0.00e+00 - 0 1492 1491 1493 0 # 41 LEU HG 437 1.749 26.902 1.336 3 U -1.371e+03 0.00e+00 - 0 1492 1491 1434 0 # 41 LEU HG 438 0.849 23.979 8.018 3 U -6.292e+02 0.00e+00 - 0 1493 1494 145 0 # 41 LEU HD1 439 0.849 23.979 7.885 3 U -1.097e+03 0.00e+00 - 0 1493 1494 81 0 # 41 LEU HD1 440 0.849 23.979 7.443 3 U -7.537e+02 0.00e+00 - 0 1493 1494 109 0 # 41 LEU HD1 441 0.849 23.979 3.924 4 U -1.281e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 442 0.849 23.979 4.080 3 U -9.100e+03 0.00e+00 - 0 1493 1494 1328 0 # 41 LEU HD1 443 0.849 23.979 1.886 4 U -4.283e+03 0.00e+00 - 0 1493 1494 1461 0 # 41 LEU HD1 444 0.849 23.979 1.750 3 U -1.080e+04 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 445 0.849 23.979 1.527 4 U -1.338e+04 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 446 0.849 23.979 1.315 3 U -6.668e+03 0.00e+00 - 0 1493 1494 1434 0 # 41 LEU HD1 447 0.849 23.979 4.233 4 U -1.283e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU HD1 448 0.769 25.776 7.896 3 U -7.316e+02 0.00e+00 - 0 1496 1495 81 0 # 41 LEU HD2 449 0.769 25.776 3.405 3 U -3.366e+03 0.00e+00 - 0 1496 1495 1326 0 # 41 LEU HD2 450 0.769 25.776 4.087 3 U -1.141e+03 0.00e+00 - 0 1496 1495 1328 0 # 41 LEU HD2 451 0.769 25.776 3.876 3 U -2.161e+03 0.00e+00 - 0 1496 1495 1351 0 # 41 LEU HD2 452 0.769 25.776 1.905 3 U -4.192e+03 0.00e+00 - 0 1496 1495 1461 0 # 41 LEU HD2 453 0.769 25.776 1.340 3 U -3.635e+03 0.00e+00 - 0 1496 1495 1434 0 # 41 LEU HD2 454 3.860 57.962 0.089 3 U 1.124e+03 0.00e+00 - 0 1329 1015 1533 0 # 42 LEU HA 455 3.860 57.962 0.605 3 U 4.812e+03 0.00e+00 - 0 1329 1015 1532 0 # 42 LEU HA 456 3.860 57.962 0.803 3 U 1.986e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 457 3.860 57.962 1.451 3 U 2.412e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 458 3.860 57.962 1.564 3 U 2.335e+03 0.00e+00 - 0 1329 1015 1462 0 # 42 LEU HA 459 3.860 57.962 1.675 4 U 2.708e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HA 460 3.860 57.962 8.319 3 U 1.435e+03 0.00e+00 - 0 1329 1015 117 0 # 42 LEU HA 461 1.385 39.646 0.088 3 U -1.076e+03 0.00e+00 - 0 1435 1016 1533 0 # 42 LEU HB2 462 1.385 39.646 0.606 3 U -6.115e+02 0.00e+00 - 0 1435 1016 1532 0 # 42 LEU HB2 463 1.385 39.646 1.565 3 U -3.036e+03 0.00e+00 - 0 1435 1016 1462 0 # 42 LEU HB2 464 1.385 39.646 1.672 3 U -1.598e+03 0.00e+00 - 0 1435 1016 1530 0 # 42 LEU HB2 465 1.385 39.646 8.330 3 U -8.601e+02 0.00e+00 - 0 1435 1016 117 0 # 42 LEU HB2 466 1.563 39.646 0.090 3 U -6.925e+02 0.00e+00 - 0 1462 1016 1533 0 # 42 LEU HB3 467 1.563 39.646 0.606 3 U -5.945e+02 0.00e+00 - 0 1462 1016 1532 0 # 42 LEU HB3 468 1.563 39.646 1.392 3 U -2.391e+03 0.00e+00 - 0 1462 1016 1435 0 # 42 LEU HB3 469 1.563 39.646 1.695 3 U -1.347e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HB3 470 1.563 39.646 3.884 4 U -5.101e+02 0.00e+00 - 0 1462 1016 1329 0 # 42 LEU HB3 471 1.704 25.912 0.090 3 U -2.249e+03 0.00e+00 - 0 1530 1529 1533 0 # 42 LEU HG 472 1.704 25.912 0.605 3 U -1.717e+03 0.00e+00 - 0 1530 1529 1532 0 # 42 LEU HG 473 1.704 25.912 1.374 3 U -8.129e+02 0.00e+00 - 0 1530 1529 1435 0 # 42 LEU HG 474 1.704 25.912 8.328 3 U -1.428e+03 0.00e+00 - 0 1530 1529 117 0 # 42 LEU HG 475 0.599 22.115 8.319 3 U -1.289e+03 0.00e+00 - 0 1532 1531 117 0 # 42 LEU HD1 476 0.599 22.115 3.991 3 U -2.224e+03 0.00e+00 - 0 1532 1531 1347 0 # 42 LEU HD1 477 0.599 22.115 3.865 3 U -7.601e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 478 0.599 22.115 1.691 3 U -8.385e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 479 0.599 22.115 1.523 3 U -8.816e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 480 0.599 22.115 0.959 4 U -8.146e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD1 481 0.599 22.115 0.090 3 U -8.294e+03 0.00e+00 - 0 1532 1531 1533 0 # 42 LEU HD1 482 0.087 25.545 8.319 3 U -1.143e+03 0.00e+00 - 0 1533 1534 117 0 # 42 LEU HD2 483 0.087 25.545 3.875 3 U -1.249e+03 0.00e+00 - 0 1533 1534 1329 0 # 42 LEU HD2 484 0.087 25.545 3.385 3 U -9.397e+02 0.00e+00 - 0 1533 1534 1384 0 # 42 LEU HD2 485 0.087 25.545 3.058 3 U -1.181e+03 0.00e+00 - 0 1533 1534 1465 0 # 42 LEU HD2 486 0.087 25.545 2.905 3 U -7.296e+02 0.00e+00 - 0 1533 1534 1438 0 # 42 LEU HD2 487 0.087 25.545 1.709 3 U -4.891e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 488 0.087 25.545 1.561 3 U -2.779e+03 0.00e+00 - 0 1533 1534 1462 0 # 42 LEU HD2 489 0.087 25.545 1.396 3 U -2.360e+03 0.00e+00 - 0 1533 1534 1435 0 # 42 LEU HD2 490 0.087 25.545 0.962 4 U -3.309e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 491 0.087 25.545 0.741 4 U -1.141e+04 0.00e+00 - 0 0 0 0 0 # 42 LEU HD2 492 0.087 25.545 0.606 3 U -5.977e+03 0.00e+00 - 0 1533 1534 1532 0 # 42 LEU HD2 493 4.547 57.290 8.960 3 U 2.154e+03 0.00e+00 - 0 1330 990 99 0 # 43 ASP HA 494 4.547 57.290 8.163 3 U 1.097e+03 0.00e+00 - 0 1330 990 221 0 # 43 ASP HA 495 4.547 57.290 2.717 3 U 2.808e+03 0.00e+00 - 0 1330 990 1436 0 # 43 ASP HA 496 4.547 57.290 2.906 3 U 2.171e+03 0.00e+00 - 0 1330 990 1463 0 # 43 ASP HA 497 2.715 40.160 8.960 3 U -1.991e+03 0.00e+00 - 0 1436 991 99 0 # 43 ASP HB2 498 2.715 40.160 8.156 3 U -8.350e+02 0.00e+00 - 0 1436 991 221 0 # 43 ASP HB2 499 2.715 40.160 4.548 3 U -2.474e+03 0.00e+00 - 0 1436 991 1330 0 # 43 ASP HB2 500 2.715 40.160 4.284 3 U -1.480e+03 0.00e+00 - 0 1436 991 1327 0 # 43 ASP HB2 501 2.899 40.160 8.960 3 U -1.815e+03 0.00e+00 - 0 1463 991 99 0 # 43 ASP HB3 502 2.899 40.160 8.164 3 U -1.134e+03 0.00e+00 - 0 1463 991 221 0 # 43 ASP HB3 503 2.899 40.160 4.549 3 U -1.988e+03 0.00e+00 - 0 1463 991 1330 0 # 43 ASP HB3 504 2.899 40.160 4.285 3 U -1.671e+03 0.00e+00 - 0 1463 991 1327 0 # 43 ASP HB3 505 3.951 46.763 8.163 3 U -3.868e+03 0.00e+00 - 0 1331 1104 221 0 # 44 GLY HA 506 3.951 46.763 7.311 3 U -6.202e+02 0.00e+00 - 0 1331 1104 53 0 # 44 GLY HA 507 4.566 50.751 8.046 3 U 9.947e+02 0.00e+00 - 0 1332 923 149 0 # 45 ALA HA 508 4.566 50.751 7.310 3 U 2.023e+03 0.00e+00 - 0 1332 923 53 0 # 45 ALA HA 509 4.566 50.751 1.451 3 U 9.136e+03 0.00e+00 - 0 1332 923 1401 0 # 45 ALA HA 510 1.454 20.842 8.238 3 U 1.509e+03 0.00e+00 - 0 1401 924 125 0 # 45 ALA HB 511 1.454 20.842 8.031 3 U 1.101e+03 0.00e+00 - 0 1401 924 149 0 # 45 ALA HB 512 1.454 20.842 7.310 3 U 7.420e+03 0.00e+00 - 0 1401 924 53 0 # 45 ALA HB 513 1.454 20.842 4.568 3 U 1.102e+04 0.00e+00 - 0 1401 924 1332 0 # 45 ALA HB 514 1.454 20.842 3.871 3 U 2.969e+03 0.00e+00 - 0 1401 924 1329 0 # 45 ALA HB 515 1.454 20.842 0.808 3 U 1.057e+04 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 516 1.454 20.842 0.912 3 U 8.068e+03 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 517 4.333 55.263 8.236 3 U 2.788e+03 0.00e+00 - 0 1333 1059 125 0 # 46 ASP HA 518 4.333 55.263 8.040 3 U 8.136e+03 0.00e+00 - 0 1333 1059 149 0 # 46 ASP HA 519 4.333 55.263 2.651 3 U 2.985e+03 0.00e+00 - 0 1333 1059 1437 0 # 46 ASP HA 520 4.333 55.263 3.122 3 U 3.375e+03 0.00e+00 - 0 1333 1059 1464 0 # 46 ASP HA 521 2.650 39.630 8.256 3 U -6.030e+02 0.00e+00 - 0 1437 1060 125 0 # 46 ASP HB2 522 2.650 39.630 8.040 3 U -1.412e+03 0.00e+00 - 0 1437 1060 149 0 # 46 ASP HB2 523 2.650 39.630 4.577 3 U -7.838e+02 0.00e+00 - 0 1437 1060 1332 0 # 46 ASP HB2 524 2.650 39.630 4.335 3 U -4.397e+03 0.00e+00 - 0 1437 1060 1333 0 # 46 ASP HB2 525 2.650 39.630 3.118 3 U -3.581e+04 0.00e+00 - 0 1437 1060 1464 0 # 46 ASP HB2 526 3.120 39.630 8.046 3 U -1.036e+03 0.00e+00 - 0 1464 1060 149 0 # 46 ASP HB3 527 3.120 39.630 4.337 3 U -4.936e+03 0.00e+00 - 0 1464 1060 1333 0 # 46 ASP HB3 528 3.120 39.630 2.650 3 U -3.840e+04 0.00e+00 - 0 1464 1060 1437 0 # 46 ASP HB3 529 4.227 60.613 9.266 3 U 5.295e+03 0.00e+00 - 0 1334 1030 121 0 # 47 ILE HA 530 4.227 60.613 8.247 3 U 1.202e+03 0.00e+00 - 0 1334 1030 125 0 # 47 ILE HA 531 4.227 60.613 1.668 4 U 2.744e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HA 532 4.227 60.613 0.941 4 U 3.801e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HA 533 4.227 60.613 3.760 3 U 7.356e+02 0.00e+00 - 0 1334 1030 1380 0 # 47 ILE HA 534 1.661 38.757 8.238 3 U -2.008e+03 0.00e+00 - 0 1402 1031 125 0 # 47 ILE HB 535 1.661 38.757 3.849 3 U -6.232e+02 0.00e+00 - 0 1402 1031 1329 0 # 47 ILE HB 536 1.661 38.757 0.947 3 U -2.357e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HB 537 1.661 38.757 0.803 3 U -2.028e+03 0.00e+00 - 0 1402 1031 1541 0 # 47 ILE HB 538 1.661 38.757 0.600 3 U -1.367e+03 0.00e+00 - 0 1402 1031 1532 0 # 47 ILE HB 542 0.962 17.491 9.279 3 U 1.644e+03 0.00e+00 - 0 1539 1536 121 0 # 47 ILE HG2 543 0.962 17.491 8.259 3 U 7.567e+02 0.00e+00 - 0 1539 1536 125 0 # 47 ILE HG2 544 0.962 17.491 4.231 3 U 3.989e+03 0.00e+00 - 0 1539 1536 1334 0 # 47 ILE HG2 545 0.962 17.491 3.989 3 U 7.437e+02 0.00e+00 - 0 1539 1536 1347 0 # 47 ILE HG2 546 0.962 17.491 3.860 3 U 6.482e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HG2 547 0.962 17.491 2.988 3 U 3.579e+03 0.00e+00 - 0 1539 1536 1467 0 # 47 ILE HG2 548 0.962 17.491 2.788 3 U 1.650e+03 0.00e+00 - 0 1539 1536 1440 0 # 47 ILE HG2 549 0.962 17.491 2.405 3 U 8.120e+02 0.00e+00 - 0 1539 1536 1427 0 # 47 ILE HG2 550 0.962 17.491 1.663 3 U 8.431e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HG2 551 0.962 17.491 1.514 3 U 5.094e+03 0.00e+00 - 0 1539 1536 1411 0 # 47 ILE HG2 552 0.962 17.491 0.088 3 U 1.374e+03 0.00e+00 - 0 1539 1536 1533 0 # 47 ILE HG2 553 0.962 17.491 0.605 3 U 5.247e+03 0.00e+00 - 0 1539 1536 1532 0 # 47 ILE HG2 559 3.754 45.453 9.272 3 U -1.925e+03 0.00e+00 - 0 1380 1023 121 0 # 48 GLY HA2 560 3.754 45.453 8.400 3 U -1.062e+03 0.00e+00 - 0 1380 1023 141 0 # 48 GLY HA2 561 3.754 45.453 4.122 3 U -6.804e+03 0.00e+00 - 0 1380 1023 1385 0 # 48 GLY HA2 562 4.127 45.453 9.272 3 U -1.524e+03 0.00e+00 - 0 1385 1023 121 0 # 48 GLY HA3 563 4.127 45.453 8.401 3 U -1.778e+03 0.00e+00 - 0 1385 1023 141 0 # 48 GLY HA3 564 4.127 45.453 3.757 3 U -6.563e+03 0.00e+00 - 0 1385 1023 1380 0 # 48 GLY HA3 565 5.468 55.028 8.815 3 U 4.449e+03 0.00e+00 - 0 1335 1043 77 0 # 49 HIS HA 566 5.468 55.028 4.817 3 U 1.417e+03 0.00e+00 - 0 1335 1043 1375 0 # 49 HIS HA 567 5.468 55.028 2.899 3 U 3.021e+03 0.00e+00 - 0 1335 1043 1438 0 # 49 HIS HA 568 5.468 55.028 3.055 3 U 3.062e+03 0.00e+00 - 0 1335 1043 1465 0 # 49 HIS HA 569 5.468 55.028 0.960 4 U 1.629e+03 0.00e+00 - 0 1335 1043 1598 0 # 49 HIS HA 570 5.468 55.028 0.088 3 U 5.608e+02 0.00e+00 - 0 1335 1043 1533 0 # 49 HIS HA 571 5.468 55.028 0.770 3 U 9.648e+02 0.00e+00 - 0 1335 1043 1589 0 # 49 HIS HA 572 2.892 31.849 8.815 3 U -7.868e+02 0.00e+00 - 0 1438 1044 77 0 # 49 HIS HB2 573 2.892 31.849 5.476 3 U -1.530e+03 0.00e+00 - 0 1438 1044 1335 0 # 49 HIS HB2 574 2.892 31.849 3.059 3 U -4.044e+03 0.00e+00 - 0 1438 1044 1465 0 # 49 HIS HB2 575 2.892 31.849 0.770 3 U -8.844e+02 0.00e+00 - 0 1438 1044 1589 0 # 49 HIS HB2 576 2.892 31.849 0.971 4 U -7.206e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB2 577 3.063 31.849 8.824 3 U -7.246e+02 0.00e+00 - 0 1465 1044 77 0 # 49 HIS HB3 578 3.063 31.849 5.484 3 U -1.466e+03 0.00e+00 - 0 1465 1044 1335 0 # 49 HIS HB3 579 3.063 31.849 2.895 3 U -3.550e+03 0.00e+00 - 0 1465 1044 1438 0 # 49 HIS HB3 580 3.063 31.849 0.089 3 U -6.262e+02 0.00e+00 - 0 1465 1044 1533 0 # 49 HIS HB3 581 3.063 31.849 0.970 4 U -9.838e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB3 582 4.678 53.258 8.614 3 U 4.801e+03 0.00e+00 - 0 1336 952 37 0 # 50 LEU HA 583 4.678 53.258 1.506 3 U 2.692e+03 0.00e+00 - 0 1336 952 1466 0 # 50 LEU HA 584 4.678 53.258 1.394 3 U 1.796e+03 0.00e+00 - 0 1336 952 1439 0 # 50 LEU HA 585 4.678 53.258 0.791 3 U 3.270e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HA 586 1.389 46.321 8.809 3 U -1.001e+03 0.00e+00 - 0 1439 953 77 0 # 50 LEU HB2 587 1.389 46.321 4.684 3 U -1.243e+03 0.00e+00 - 0 1439 953 1336 0 # 50 LEU HB2 588 1.389 46.321 0.822 3 U -2.647e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HB2 589 1.389 46.321 1.636 3 U -1.606e+03 0.00e+00 - 0 1439 953 1480 0 # 50 LEU HB2 590 1.500 46.321 8.645 3 U -9.582e+02 0.00e+00 - 0 1466 953 37 0 # 50 LEU HB3 591 1.500 46.321 4.685 3 U -1.383e+03 0.00e+00 - 0 1466 953 1336 0 # 50 LEU HB3 592 1.500 46.321 0.804 3 U -2.425e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HB3 593 1.427 27.104 4.667 3 U -6.664e+02 0.00e+00 - 0 1543 1542 1336 0 # 50 LEU HG 594 1.427 27.104 0.737 3 U -8.964e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU HG 595 0.828 24.880 8.639 3 U -1.008e+03 0.00e+00 - 0 1545 1544 37 0 # 50 LEU HD1 596 0.828 24.880 4.688 3 U -1.691e+03 0.00e+00 - 0 1545 1544 1336 0 # 50 LEU HD1 597 0.797 25.307 8.809 3 U -7.597e+02 0.00e+00 - 0 1547 1546 77 0 # 50 LEU HD2 598 0.797 25.307 4.675 3 U -1.920e+03 0.00e+00 - 0 1547 1546 1336 0 # 50 LEU HD2 599 5.033 61.051 9.123 3 U 3.483e+03 0.00e+00 - 0 1373 898 7 0 # 51 VAL HA 600 5.033 61.051 8.619 3 U 1.015e+03 0.00e+00 - 0 1373 898 37 0 # 51 VAL HA 601 5.033 61.051 1.526 3 U 8.562e+02 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 602 5.033 61.051 1.089 3 U 2.134e+03 0.00e+00 - 0 1373 898 1549 0 # 51 VAL HA 603 5.033 61.051 0.890 3 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 604 5.033 61.051 0.767 4 U 1.151e+03 0.00e+00 - 0 1373 898 1589 0 # 51 VAL HA 605 2.077 32.502 8.632 3 U -1.792e+03 0.00e+00 - 0 1425 899 37 0 # 51 VAL HB 606 2.077 32.502 1.096 3 U -4.357e+03 0.00e+00 - 0 1425 899 1549 0 # 51 VAL HB 607 2.077 32.502 0.889 3 U -5.198e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HB 608 1.099 21.532 9.538 3 U -6.030e+02 0.00e+00 - 0 1549 1548 5 0 # 51 VAL HG1 609 1.099 21.532 9.135 3 U -8.915e+02 0.00e+00 - 0 1549 1548 7 0 # 51 VAL HG1 610 1.099 21.532 8.775 3 U -7.908e+02 0.00e+00 - 0 1549 1548 77 0 # 51 VAL HG1 611 1.099 21.532 8.633 3 U -3.085e+03 0.00e+00 - 0 1549 1548 37 0 # 51 VAL HG1 612 1.099 21.532 6.492 4 U -5.511e+03 0.00e+00 - 0 1549 1548 1899 0 # 51 VAL HG1 613 1.099 21.532 5.037 3 U -4.743e+03 0.00e+00 - 0 1549 1548 1373 0 # 51 VAL HG1 614 1.099 21.532 4.857 3 U -1.369e+03 0.00e+00 - 0 1549 1548 1371 0 # 51 VAL HG1 615 1.099 21.532 4.672 3 U -5.910e+02 0.00e+00 - 0 1549 1548 1336 0 # 51 VAL HG1 616 1.099 21.532 2.080 3 U -9.498e+03 0.00e+00 - 0 1549 1548 1425 0 # 51 VAL HG1 617 1.099 21.532 0.759 3 U -8.657e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HG1 618 1.099 21.532 0.878 3 U -1.622e+04 0.00e+00 - 0 0 0 0 0 # 51 VAL HG1 619 0.888 21.983 9.124 3 U -2.121e+03 0.00e+00 - 0 1551 1550 7 0 # 51 VAL HG2 620 0.888 21.983 8.645 3 U -1.032e+03 0.00e+00 - 0 1551 1550 37 0 # 51 VAL HG2 621 0.888 21.983 5.036 3 U -4.050e+03 0.00e+00 - 0 1551 1550 1373 0 # 51 VAL HG2 622 0.888 21.983 4.864 3 U -1.171e+03 0.00e+00 - 0 1551 1550 1371 0 # 51 VAL HG2 623 0.888 21.983 4.673 3 U -5.612e+02 0.00e+00 - 0 1551 1550 1336 0 # 51 VAL HG2 624 0.888 21.983 3.107 3 U -9.099e+02 0.00e+00 - 0 1551 1550 1758 0 # 51 VAL HG2 625 0.888 21.983 3.221 3 U -7.436e+02 0.00e+00 - 0 1551 1550 1757 0 # 51 VAL HG2 626 0.888 21.983 2.079 3 U -6.973e+03 0.00e+00 - 0 1551 1550 1425 0 # 51 VAL HG2 627 0.888 21.983 1.936 4 U -1.685e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HG2 628 0.888 21.983 1.687 3 U -2.671e+03 0.00e+00 - 0 1551 1550 1737 0 # 51 VAL HG2 629 1.505 44.761 9.124 3 U -9.014e+02 0.00e+00 - 0 1552 857 7 0 # 52 LEU HB2 631 1.505 44.761 0.840 4 U -1.387e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HB2 632 1.673 44.761 9.138 3 U -6.413e+02 0.00e+00 - 0 1422 857 7 0 # 52 LEU HB3 633 1.673 44.761 0.834 4 U -3.285e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HB3 634 1.530 27.067 9.132 3 U -7.838e+02 0.00e+00 - 0 1554 1553 7 0 # 52 LEU HG 635 0.837 25.558 9.105 3 U -5.292e+02 0.00e+00 - 0 1556 1555 7 0 # 52 LEU HD1 636 0.837 25.558 7.244 4 U -6.151e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU HD1 637 0.837 25.558 1.647 4 U -4.044e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU HD1 638 0.837 24.005 9.113 3 U -5.768e+02 0.00e+00 - 0 1558 1557 7 0 # 52 LEU HD2 639 0.837 24.005 8.652 4 U -1.004e+03 0.00e+00 - 0 1558 1557 45 0 # 52 LEU HD2 640 0.837 24.005 7.318 4 U -6.905e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU HD2 641 2.635 41.614 8.677 4 U -8.209e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB2 642 2.635 41.614 2.773 3 U -6.828e+03 0.00e+00 - 0 1448 1688 1475 0 # 53 ASP HB2 643 2.772 41.614 4.795 3 U -1.339e+03 0.00e+00 - 0 1475 1688 1365 0 # 53 ASP HB3 644 4.289 55.950 8.706 3 U 8.810e+02 0.00e+00 - 0 1358 956 79 0 # 54 GLN HA 645 4.289 55.950 2.785 3 U 5.878e+02 0.00e+00 - 0 1358 956 1475 0 # 54 GLN HA 646 4.289 55.950 2.311 3 U 1.750e+03 0.00e+00 - 0 1358 956 1560 0 # 54 GLN HA 647 4.289 55.950 2.077 3 U 2.225e+03 0.00e+00 - 0 1358 956 1418 0 # 54 GLN HA 648 4.289 55.950 1.931 3 U 2.185e+03 0.00e+00 - 0 1358 956 1559 0 # 54 GLN HA 649 1.936 29.859 8.697 3 U -1.146e+03 0.00e+00 - 0 1559 957 79 0 # 54 GLN HB2 650 1.936 29.859 4.292 3 U -1.430e+03 0.00e+00 - 0 1559 957 1358 0 # 54 GLN HB2 651 2.080 29.859 8.701 3 U -1.083e+03 0.00e+00 - 0 1418 957 79 0 # 54 GLN HB3 652 2.303 34.068 8.699 3 U -1.012e+03 0.00e+00 - 0 1560 1561 79 0 # 54 GLN HG 653 2.303 34.068 7.497 3 U -1.534e+03 0.00e+00 - 0 1560 1561 1689 0 # 54 GLN HG 654 2.303 34.068 6.873 4 U -5.966e+02 0.00e+00 - 0 1560 1561 1691 0 # 54 GLN HG 655 2.303 34.068 4.295 3 U -1.729e+03 0.00e+00 - 0 1560 1561 1358 0 # 54 GLN HG 656 2.303 34.068 1.947 3 U -3.008e+03 0.00e+00 - 0 1560 1561 1559 0 # 54 GLN HG 657 2.303 34.068 2.082 3 U -5.254e+03 0.00e+00 - 0 1560 1561 1418 0 # 54 GLN HG 658 2.303 34.068 1.700 4 U -5.768e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HG 659 2.303 34.068 0.964 4 U -5.030e+02 0.00e+00 - 0 1560 1561 1713 0 # 54 GLN HG 660 4.686 53.452 2.833 4 U 8.340e+03 0.00e+00 - 0 0 0 0 0 # 55 ASN HA 661 2.835 39.052 8.565 3 U -7.266e+02 0.00e+00 - 0 0 0 0 0 # 55 ASN HB 662 2.835 39.052 4.689 3 U -2.422e+03 0.00e+00 - 0 1421 1693 1364 0 # 55 ASN HB 663 4.572 55.274 2.542 3 U 1.040e+03 0.00e+00 - 0 1363 1697 1702 0 # 56 MET HA 665 4.572 55.274 2.057 3 U 2.159e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 666 4.572 55.274 2.187 4 U 3.829e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 667 4.572 55.274 8.595 4 U 1.184e+03 0.00e+00 - 0 0 0 0 0 # 56 MET HA 668 2.051 32.941 2.629 3 U -9.000e+02 0.00e+00 - 0 1420 1698 1701 0 # 56 MET HB2 669 2.051 32.941 2.514 3 U -6.854e+02 0.00e+00 - 0 1420 1698 1702 0 # 56 MET HB2 670 2.051 32.941 4.574 3 U -1.035e+03 0.00e+00 - 0 1420 1698 1363 0 # 56 MET HB2 671 2.146 32.941 4.569 3 U -1.133e+03 0.00e+00 - 0 1699 1698 1363 0 # 56 MET HB3 672 2.146 32.941 2.507 4 U -7.547e+02 0.00e+00 - 0 1699 1698 1702 0 # 56 MET HB3 673 2.146 32.941 2.614 3 U -8.219e+02 0.00e+00 - 0 1699 1698 1701 0 # 56 MET HB3 674 2.527 32.049 4.561 3 U -7.045e+02 0.00e+00 - 0 1702 1700 1363 0 # 56 MET HG2 675 2.527 32.049 2.055 3 U -1.508e+03 0.00e+00 - 0 1702 1700 1420 0 # 56 MET HG2 676 2.527 32.049 2.158 3 U -5.456e+02 0.00e+00 - 0 1702 1700 1699 0 # 56 MET HG2 677 2.610 32.049 4.561 3 U -6.864e+02 0.00e+00 - 0 1701 1700 1363 0 # 56 MET HG3 678 2.610 32.049 2.062 3 U -1.269e+03 0.00e+00 - 0 1701 1700 1420 0 # 56 MET HG3 679 2.610 32.049 2.157 3 U -7.697e+02 0.00e+00 - 0 1701 1700 1699 0 # 56 MET HG3 680 2.610 32.049 0.842 4 U -6.714e+02 0.00e+00 - 0 0 0 0 0 # 56 MET HG3 681 4.530 57.959 8.128 3 U 2.307e+03 0.00e+00 - 0 1337 1704 49 0 # 57 SER HA 682 4.530 57.959 3.903 4 U 9.681e+03 0.00e+00 - 0 0 0 0 0 # 57 SER HA 683 4.243 61.288 8.209 3 U 3.699e+03 0.00e+00 - 0 1338 916 27 0 # 58 ILE HA 684 4.243 61.288 1.933 3 U 3.138e+03 0.00e+00 - 0 1338 916 1404 0 # 58 ILE HA 685 4.243 61.288 0.905 3 U 4.773e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HA 686 4.243 61.288 1.178 3 U 1.609e+03 0.00e+00 - 0 1338 916 1565 0 # 58 ILE HA 687 4.243 61.288 1.459 3 U 1.433e+03 0.00e+00 - 0 1338 916 1564 0 # 58 ILE HA 688 1.930 38.500 8.235 4 U -9.426e+02 0.00e+00 - 0 1404 917 27 0 # 58 ILE HB 689 1.930 38.500 8.128 3 U -1.036e+03 0.00e+00 - 0 1404 917 49 0 # 58 ILE HB 690 1.930 38.500 4.248 3 U -2.278e+03 0.00e+00 - 0 1404 917 1338 0 # 58 ILE HB 691 1.930 38.500 0.905 3 U -6.620e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HB 692 1.930 38.500 1.193 3 U -8.721e+02 0.00e+00 - 0 1404 917 1565 0 # 58 ILE HB 693 1.930 38.500 1.466 3 U -1.837e+03 0.00e+00 - 0 1404 917 1564 0 # 58 ILE HB 694 1.462 27.342 8.113 3 U -8.179e+02 0.00e+00 - 0 1564 1562 49 0 # 58 ILE HG12 695 1.462 27.342 4.233 3 U -9.795e+02 0.00e+00 - 0 1564 1562 1338 0 # 58 ILE HG12 696 1.462 27.342 1.925 3 U -2.615e+03 0.00e+00 - 0 1564 1562 1404 0 # 58 ILE HG12 697 1.462 27.342 1.191 3 U -2.677e+04 0.00e+00 - 0 1564 1562 1565 0 # 58 ILE HG12 698 1.462 27.342 0.889 3 U -5.905e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HG12 699 1.188 27.342 8.128 3 U -7.115e+02 0.00e+00 - 0 1565 1562 49 0 # 58 ILE HG13 700 1.188 27.342 1.936 3 U -1.367e+03 0.00e+00 - 0 1565 1562 1404 0 # 58 ILE HG13 701 1.188 27.342 1.464 3 U -2.491e+04 0.00e+00 - 0 1565 1562 1564 0 # 58 ILE HG13 702 0.915 17.910 8.191 3 U 7.889e+02 0.00e+00 - 0 1566 1563 27 0 # 58 ILE HG2 703 0.915 17.910 8.093 4 U 7.105e+02 0.00e+00 - 0 1566 1563 49 0 # 58 ILE HG2 704 0.915 17.910 4.387 3 U 1.043e+03 0.00e+00 - 0 1566 1563 1339 0 # 58 ILE HG2 705 0.915 17.910 3.988 4 U 5.523e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HG2 706 0.915 17.910 4.244 3 U 4.744e+03 0.00e+00 - 0 1566 1563 1338 0 # 58 ILE HG2 707 0.915 17.910 3.909 4 U 8.170e+02 0.00e+00 - 0 1566 1563 1403 0 # 58 ILE HG2 708 0.915 17.910 1.928 3 U 8.147e+03 0.00e+00 - 0 1566 1563 1404 0 # 58 ILE HG2 709 0.874 13.478 4.250 3 U 1.712e+03 0.00e+00 - 0 1568 1567 1338 0 # 58 ILE HD1 710 0.874 13.478 4.396 3 U 5.957e+02 0.00e+00 - 0 1568 1567 1339 0 # 58 ILE HD1 711 0.874 13.478 1.932 3 U 3.727e+03 0.00e+00 - 0 1568 1567 1404 0 # 58 ILE HD1 712 0.874 13.478 1.340 4 U 1.932e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 713 0.874 13.478 1.455 3 U 5.673e+03 0.00e+00 - 0 1568 1567 1564 0 # 58 ILE HD1 714 0.874 13.478 1.203 3 U 9.204e+03 0.00e+00 - 0 1568 1567 1565 0 # 58 ILE HD1 715 0.874 13.478 1.126 4 U 6.532e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 716 4.382 55.046 8.346 4 U 2.162e+03 0.00e+00 - 0 1339 883 61 0 # 59 LEU HA 717 4.382 55.046 8.210 3 U 1.240e+03 0.00e+00 - 0 1339 883 27 0 # 59 LEU HA 718 4.382 55.046 3.479 4 U 8.633e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 719 4.382 55.046 0.897 4 U 4.773e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 720 4.382 55.046 1.626 4 U 5.223e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HA 721 1.607 42.342 8.213 3 U -1.482e+03 0.00e+00 - 0 1405 884 27 0 # 59 LEU HB2 722 1.607 42.342 4.386 3 U -2.331e+03 0.00e+00 - 0 1405 884 1339 0 # 59 LEU HB2 723 1.607 42.342 0.912 3 U -3.687e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB2 724 1.659 42.342 8.210 3 U -1.226e+03 0.00e+00 - 0 1569 884 27 0 # 59 LEU HB3 725 1.659 42.342 4.403 4 U -3.669e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB3 726 1.659 42.342 0.922 3 U -5.398e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HB3 728 1.624 27.070 8.211 4 U -1.222e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HG 729 0.942 25.059 4.394 3 U -1.490e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HD1 730 0.942 25.059 1.641 4 U -1.059e+04 0.00e+00 - 0 0 0 0 0 # 59 LEU HD1 731 0.884 23.546 8.244 4 U -7.085e+02 0.00e+00 - 0 1575 1573 27 0 # 59 LEU HD2 732 0.884 23.546 4.399 3 U -8.532e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU HD2 733 0.884 23.546 1.643 4 U -1.276e+04 0.00e+00 - 0 0 0 0 0 # 59 LEU HD2 734 4.244 56.863 8.101 4 U 6.904e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 735 4.244 56.863 8.348 3 U 1.909e+03 0.00e+00 - 0 1340 936 61 0 # 60 GLU HA 736 4.244 56.863 8.446 3 U 1.362e+03 0.00e+00 - 0 1340 936 213 0 # 60 GLU HA 737 4.244 56.863 2.281 4 U 3.926e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 738 4.244 56.863 2.058 4 U 4.869e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 739 2.002 29.900 8.340 3 U -9.639e+02 0.00e+00 - 0 1406 937 61 0 # 60 GLU HB2 740 2.002 29.900 0.851 4 U -5.385e+02 0.00e+00 - 0 1406 937 1575 0 # 60 GLU HB2 741 2.077 29.900 8.379 3 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HB3 742 2.077 29.900 0.875 3 U -5.477e+02 0.00e+00 - 0 1576 937 1575 0 # 60 GLU HB3 743 2.280 36.276 8.353 3 U -1.026e+03 0.00e+00 - 0 1577 1578 61 0 # 60 GLU HG 744 2.280 36.276 8.450 3 U -5.753e+02 0.00e+00 - 0 1577 1578 213 0 # 60 GLU HG 745 2.280 36.276 0.937 3 U -1.127e+03 0.00e+00 - 0 1577 1578 1574 0 # 60 GLU HG 746 3.916 45.490 8.440 3 U -6.543e+02 0.00e+00 - 0 1381 1095 213 0 # 61 GLY HA2 747 4.103 45.490 8.440 3 U -1.188e+03 0.00e+00 - 0 1386 1095 213 0 # 61 GLY HA3 748 4.103 45.490 0.931 4 U -6.463e+02 0.00e+00 - 0 0 0 0 0 # 61 GLY HA3 749 4.509 57.968 8.320 3 U 2.284e+03 0.00e+00 - 0 1341 1077 39 0 # 62 SER HA 750 4.509 57.968 8.153 3 U 9.677e+02 0.00e+00 - 0 1341 1077 159 0 # 62 SER HA 751 3.916 63.549 8.137 4 U 6.653e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 752 3.916 63.549 4.512 4 U 1.741e+04 0.00e+00 - 0 0 0 0 0 # 62 SER HB 753 3.916 63.549 0.870 4 U 1.952e+03 0.00e+00 - 0 0 0 0 0 # 62 SER HB 754 3.916 63.549 0.965 4 U 1.505e+03 0.00e+00 - 0 1407 1078 1776 0 # 62 SER HB 755 3.916 63.549 1.535 4 U 9.478e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 756 3.916 63.549 1.633 4 U 1.587e+03 0.00e+00 - 0 0 0 0 0 # 62 SER HB 757 4.423 55.071 8.345 4 U 2.060e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 758 4.423 55.071 3.962 4 U 1.412e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 759 4.423 55.071 0.314 4 U 7.155e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 760 4.423 55.071 0.906 4 U 5.038e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 761 4.423 55.071 1.669 4 U 5.713e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HA 762 1.654 42.513 8.323 3 U -8.229e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HB2 763 1.654 42.513 4.408 3 U -2.996e+03 0.00e+00 - 0 1408 902 1342 0 # 63 LEU HB2 764 1.654 42.513 0.926 4 U -4.973e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HB2 765 1.724 42.513 4.421 3 U -2.133e+03 0.00e+00 - 0 1579 902 1342 0 # 63 LEU HB3 766 1.724 42.513 0.919 3 U -3.322e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU HB3 768 3.995 45.234 0.946 4 U -8.957e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY HA 769 3.995 45.234 7.983 3 U -2.566e+03 0.00e+00 - 0 1361 1098 113 0 # 64 GLY HA 770 3.995 45.234 8.357 3 U -1.383e+03 0.00e+00 - 0 1361 1098 215 0 # 64 GLY HA 771 4.211 61.770 8.481 3 U 6.331e+03 0.00e+00 - 0 1362 1007 9 0 # 65 VAL HA 772 4.211 61.770 7.991 3 U 7.688e+02 0.00e+00 - 0 1362 1007 113 0 # 65 VAL HA 773 4.211 61.770 2.078 3 U 1.995e+03 0.00e+00 - 0 1362 1007 1419 0 # 65 VAL HA 774 4.211 61.770 0.944 4 U 6.058e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL HA 775 2.076 32.817 8.469 3 U -7.095e+02 0.00e+00 - 0 1419 1008 9 0 # 65 VAL HB 776 2.076 32.817 7.984 3 U -1.494e+03 0.00e+00 - 0 1419 1008 113 0 # 65 VAL HB 777 2.076 32.817 4.217 3 U -1.428e+03 0.00e+00 - 0 1419 1008 1362 0 # 65 VAL HB 778 2.076 32.817 0.943 4 U -8.987e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL HB 779 0.932 21.504 8.488 3 U -1.237e+03 0.00e+00 - 0 1586 1583 9 0 # 65 VAL HG1 780 0.932 21.504 6.792 3 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 65 VAL HG1 781 0.932 21.504 4.462 4 U -6.935e+02 0.00e+00 - 0 1586 1583 1707 0 # 65 VAL HG1 782 0.932 21.504 4.214 3 U -3.851e+03 0.00e+00 - 0 1586 1583 1362 0 # 65 VAL HG1 783 0.932 21.504 2.069 3 U -6.644e+03 0.00e+00 - 0 1586 1583 1419 0 # 65 VAL HG1 784 0.955 20.864 8.476 3 U 1.151e+03 0.00e+00 - 0 1585 1584 9 0 # 65 VAL HG2 785 0.955 20.864 7.982 3 U 3.423e+03 0.00e+00 - 0 1585 1584 113 0 # 65 VAL HG2 786 0.955 20.864 4.212 3 U 5.247e+03 0.00e+00 - 0 1585 1584 1362 0 # 65 VAL HG2 787 0.955 20.864 2.078 3 U 9.420e+03 0.00e+00 - 0 1585 1584 1419 0 # 65 VAL HG2 788 4.484 58.335 8.507 4 U 1.137e+03 0.00e+00 - 0 1707 860 9 0 # 66 ILE HA 789 4.484 58.335 4.041 3 U 5.632e+03 0.00e+00 - 0 1707 860 1723 0 # 66 ILE HA 790 4.484 58.335 3.658 3 U 3.545e+03 0.00e+00 - 0 1707 860 1725 0 # 66 ILE HA 791 4.484 58.335 1.847 3 U 1.796e+03 0.00e+00 - 0 1707 860 1708 0 # 66 ILE HA 792 4.484 58.335 1.177 3 U 1.219e+03 0.00e+00 - 0 1707 860 1712 0 # 66 ILE HA 793 4.484 58.335 0.987 3 U 3.158e+03 0.00e+00 - 0 1707 860 1713 0 # 66 ILE HA 794 4.484 58.335 0.861 3 U 1.756e+03 0.00e+00 - 0 1707 860 1715 0 # 66 ILE HA 795 1.845 38.956 8.481 3 U -2.252e+03 0.00e+00 - 0 1708 861 9 0 # 66 ILE HB 796 1.845 38.956 4.476 3 U -1.548e+03 0.00e+00 - 0 1708 861 1707 0 # 66 ILE HB 797 1.845 38.956 3.659 3 U -6.122e+02 0.00e+00 - 0 1708 861 1725 0 # 66 ILE HB 798 1.845 38.956 1.574 3 U -2.164e+03 0.00e+00 - 0 1708 861 1711 0 # 66 ILE HB 799 1.845 38.956 1.190 3 U -1.311e+03 0.00e+00 - 0 1708 861 1712 0 # 66 ILE HB 800 1.845 38.956 0.987 3 U -4.715e+03 0.00e+00 - 0 1708 861 1713 0 # 66 ILE HB 801 1.845 38.956 0.864 3 U -2.067e+03 0.00e+00 - 0 1708 861 1715 0 # 66 ILE HB 802 1.196 27.336 8.482 3 U -1.313e+03 0.00e+00 - 0 1712 1709 9 0 # 66 ILE HG12 803 1.196 27.336 4.486 3 U -1.733e+03 0.00e+00 - 0 1712 1709 1707 0 # 66 ILE HG12 804 1.196 27.336 1.834 3 U -1.697e+03 0.00e+00 - 0 1712 1709 1708 0 # 66 ILE HG12 805 1.568 27.336 8.479 3 U -1.800e+03 0.00e+00 - 0 1711 1709 9 0 # 66 ILE HG13 806 1.568 27.336 4.486 3 U -1.129e+03 0.00e+00 - 0 1711 1709 1707 0 # 66 ILE HG13 807 1.568 27.336 0.988 3 U -3.016e+03 0.00e+00 - 0 1711 1709 1713 0 # 66 ILE HG13 808 1.568 27.336 0.853 3 U -5.704e+03 0.00e+00 - 0 1711 1709 1715 0 # 66 ILE HG13 809 1.568 27.336 1.197 3 U -2.012e+04 0.00e+00 - 0 1711 1709 1712 0 # 66 ILE HG13 810 0.991 17.339 8.673 4 U 6.371e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 811 0.991 17.339 8.473 3 U 7.618e+02 0.00e+00 - 0 1713 1710 9 0 # 66 ILE HG2 812 0.991 17.339 4.486 3 U 4.750e+03 0.00e+00 - 0 1713 1710 1707 0 # 66 ILE HG2 813 0.991 17.339 4.033 3 U 1.716e+03 0.00e+00 - 0 1713 1710 1723 0 # 66 ILE HG2 814 0.991 17.339 3.898 4 U 5.025e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 815 0.991 17.339 3.658 3 U 3.303e+03 0.00e+00 - 0 1713 1710 1725 0 # 66 ILE HG2 816 0.991 17.339 2.776 3 U 6.572e+02 0.00e+00 - 0 1713 1710 1475 0 # 66 ILE HG2 817 0.991 17.339 1.847 3 U 6.581e+03 0.00e+00 - 0 1713 1710 1708 0 # 66 ILE HG2 818 0.991 17.339 1.964 3 U 1.855e+03 0.00e+00 - 0 1713 1710 1559 0 # 66 ILE HG2 819 0.991 17.339 1.578 4 U 3.182e+03 0.00e+00 - 0 1713 1710 1711 0 # 66 ILE HG2 820 0.852 13.220 8.482 3 U 6.492e+02 0.00e+00 - 0 1715 1714 9 0 # 66 ILE HD1 821 0.852 13.220 4.485 3 U 2.029e+03 0.00e+00 - 0 1715 1714 1707 0 # 66 ILE HD1 822 0.852 13.220 4.024 3 U 6.063e+02 0.00e+00 - 0 1715 1714 1723 0 # 66 ILE HD1 823 0.852 13.220 3.892 4 U 6.582e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 824 0.852 13.220 3.071 4 U 6.014e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 825 0.852 13.220 2.094 3 U 1.192e+03 0.00e+00 - 0 1715 1714 1419 0 # 66 ILE HD1 826 0.852 13.220 1.844 3 U 3.886e+03 0.00e+00 - 0 1715 1714 1708 0 # 66 ILE HD1 827 0.852 13.220 1.696 4 U 1.505e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 828 0.852 13.220 1.569 3 U 7.715e+03 0.00e+00 - 0 1715 1714 1711 0 # 66 ILE HD1 829 0.852 13.220 1.318 4 U 1.557e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 830 0.852 13.220 1.183 3 U 9.488e+03 0.00e+00 - 0 1715 1714 1712 0 # 66 ILE HD1 831 4.311 62.615 7.964 3 U 3.966e+03 0.00e+00 - 0 1733 1732 71 0 # 67 PRO HA 832 4.311 62.615 5.131 3 U 1.000e+03 0.00e+00 - 0 1733 1732 1318 0 # 67 PRO HA 833 4.311 62.615 2.036 3 U 2.973e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 834 4.311 62.615 1.941 3 U 1.380e+03 0.00e+00 - 0 1733 1732 1728 0 # 67 PRO HA 835 4.311 62.615 1.668 3 U 1.324e+03 0.00e+00 - 0 1733 1732 1731 0 # 67 PRO HA 836 1.662 32.172 7.974 4 U -8.219e+02 0.00e+00 - 0 1731 1729 71 0 # 67 PRO HB2 837 1.662 32.172 4.312 3 U -1.900e+03 0.00e+00 - 0 1731 1729 1733 0 # 67 PRO HB2 838 1.662 32.172 2.039 3 U -1.059e+04 0.00e+00 - 0 0 0 0 0 # 67 PRO HB2 839 2.042 32.172 5.111 3 U -5.555e+02 0.00e+00 - 0 1730 1729 1318 0 # 67 PRO HB3 840 2.042 32.172 4.313 3 U -2.309e+03 0.00e+00 - 0 1730 1729 1733 0 # 67 PRO HB3 841 2.042 32.172 4.023 3 U -8.179e+02 0.00e+00 - 0 1730 1729 1723 0 # 67 PRO HB3 842 2.042 32.172 3.652 3 U -5.122e+02 0.00e+00 - 0 1730 1729 1725 0 # 67 PRO HB3 843 2.042 32.172 1.668 3 U -1.003e+04 0.00e+00 - 0 1730 1729 1731 0 # 67 PRO HB3 844 1.948 27.573 4.602 4 U -6.202e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HG2 845 1.948 27.573 4.027 3 U -1.701e+03 0.00e+00 - 0 1728 1726 1723 0 # 67 PRO HG2 846 1.948 27.573 3.658 3 U -1.823e+03 0.00e+00 - 0 1728 1726 1725 0 # 67 PRO HG2 847 1.948 27.573 1.667 3 U -1.942e+03 0.00e+00 - 0 1728 1726 1731 0 # 67 PRO HG2 848 1.998 27.573 4.305 3 U -6.129e+02 0.00e+00 - 0 1727 1726 1733 0 # 67 PRO HG3 849 1.998 27.573 4.029 3 U -2.059e+03 0.00e+00 - 0 1727 1726 1723 0 # 67 PRO HG3 850 1.998 27.573 3.658 3 U -1.594e+03 0.00e+00 - 0 1727 1726 1725 0 # 67 PRO HG3 851 1.998 27.573 1.667 3 U -1.397e+03 0.00e+00 - 0 1727 1726 1731 0 # 67 PRO HG3 852 3.654 51.007 4.477 3 U 4.329e+03 0.00e+00 - 0 1725 1724 1707 0 # 67 PRO HD2 853 3.654 51.007 4.039 3 U 1.216e+04 0.00e+00 - 0 1725 1724 1723 0 # 67 PRO HD2 854 3.654 51.007 1.979 3 U 2.162e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HD2 855 3.654 51.007 0.988 3 U 2.250e+03 0.00e+00 - 0 1725 1724 1713 0 # 67 PRO HD2 856 4.032 51.007 4.480 3 U 6.018e+03 0.00e+00 - 0 1723 1724 1707 0 # 67 PRO HD3 857 4.032 51.007 3.652 3 U 1.178e+04 0.00e+00 - 0 1723 1724 1725 0 # 67 PRO HD3 858 4.032 51.007 1.977 4 U 2.367e+03 0.00e+00 - 0 0 0 0 0 # 67 PRO HD3 859 4.032 51.007 1.614 4 U 5.843e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HD3 860 4.032 51.007 0.992 3 U 1.000e+03 0.00e+00 - 0 1723 1724 1713 0 # 67 PRO HD3 861 4.647 55.940 8.391 4 U 1.503e+03 0.00e+00 - 0 1736 1738 133 0 # 68 ARG HA 862 4.647 55.940 7.950 3 U 1.104e+03 0.00e+00 - 0 1736 1738 71 0 # 68 ARG HA 863 4.647 55.940 1.888 4 U 2.404e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HA 864 4.647 55.940 1.649 3 U 1.835e+03 0.00e+00 - 0 1736 1738 1731 0 # 68 ARG HA 865 1.701 31.997 4.621 4 U -5.512e+02 0.00e+00 - 0 1737 1739 1736 0 # 68 ARG HB2 866 1.701 31.997 0.885 3 U -7.537e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 867 1.701 31.997 0.757 3 U -5.243e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 868 1.701 31.997 1.907 3 U -5.021e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HB2 869 1.905 31.997 7.951 3 U -5.413e+02 0.00e+00 - 0 1756 1739 71 0 # 68 ARG HB3 870 1.905 31.997 1.711 3 U -3.205e+03 0.00e+00 - 0 1756 1739 1737 0 # 68 ARG HB3 871 1.905 31.997 0.725 3 U -6.483e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB3 872 1.905 31.997 0.905 4 U -6.403e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HB3 873 1.770 28.444 4.653 3 U -8.721e+02 0.00e+00 - 0 1752 1753 1736 0 # 68 ARG HG2 874 1.770 28.444 3.221 3 U -5.966e+02 0.00e+00 - 0 1752 1753 1757 0 # 68 ARG HG2 875 1.770 28.444 0.878 3 U -1.167e+03 0.00e+00 - 0 1752 1753 1551 0 # 68 ARG HG2 876 1.887 28.444 4.665 3 U -8.269e+02 0.00e+00 - 0 1754 1753 1736 0 # 68 ARG HG3 877 1.887 28.444 3.220 3 U -8.269e+02 0.00e+00 - 0 1754 1753 1757 0 # 68 ARG HG3 878 1.887 28.444 3.103 3 U -6.037e+02 0.00e+00 - 0 1754 1753 1758 0 # 68 ARG HG3 879 1.887 28.444 0.906 3 U -6.172e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HG3 880 3.106 43.630 4.095 3 U -7.968e+02 0.00e+00 - 0 1615 1613 1346 0 # 68 ARG HD2 881 3.106 43.630 0.746 3 U -2.005e+03 0.00e+00 - 0 1758 1755 1523 0 # 68 ARG HD2 882 3.106 43.630 0.879 4 U -2.414e+03 0.00e+00 - 0 1758 1755 1551 0 # 68 ARG HD2 883 3.106 43.630 1.915 4 U -5.141e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD2 884 3.106 43.630 1.756 3 U -1.669e+03 0.00e+00 - 0 1758 1755 1752 0 # 68 ARG HD2 885 3.213 43.630 0.745 3 U -1.920e+03 0.00e+00 - 0 1757 1755 1523 0 # 68 ARG HD3 886 3.213 43.630 0.879 4 U -1.656e+03 0.00e+00 - 0 1757 1755 1551 0 # 68 ARG HD3 887 3.213 43.630 1.751 3 U -1.783e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD3 888 3.213 43.630 1.900 4 U -3.301e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG HD3 889 4.942 54.372 8.776 3 U 3.335e+03 0.00e+00 - 0 1372 1716 83 0 # 69 ARG HA 890 4.942 54.372 5.538 3 U 2.066e+03 0.00e+00 - 0 1372 1716 1317 0 # 69 ARG HA 891 4.942 54.372 4.705 4 U 2.680e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HA 892 4.942 54.372 1.600 4 U 2.587e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HA 893 1.614 34.030 8.761 3 U -4.067e+02 0.00e+00 - 0 1424 1717 83 0 # 69 ARG HB2 894 1.614 34.030 4.954 3 U -6.664e+02 0.00e+00 - 0 1424 1717 1372 0 # 69 ARG HB2 895 1.614 34.030 3.080 3 U -5.080e+02 0.00e+00 - 0 1424 1717 1722 0 # 69 ARG HB2 896 1.665 34.030 4.966 4 U -5.356e+02 0.00e+00 - 0 1302 1717 1372 0 # 69 ARG HB3 897 1.665 34.030 3.079 3 U -5.406e+02 0.00e+00 - 0 1302 1717 1722 0 # 69 ARG HB3 898 1.581 27.106 4.639 4 U -6.363e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HG2 899 1.622 27.106 4.938 4 U -8.540e+02 0.00e+00 - 0 1719 1718 1372 0 # 69 ARG HG3 900 3.073 44.329 0.815 4 U -5.108e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HD 901 3.073 44.329 1.613 4 U -4.522e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG HD 902 4.854 61.311 9.553 3 U 3.943e+03 0.00e+00 - 0 1371 964 5 0 # 70 VAL HA 903 4.854 61.311 0.761 4 U 3.528e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HA 904 1.978 32.741 0.742 4 U -4.402e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HB 905 1.978 32.741 0.851 3 U -3.398e+03 0.00e+00 - 0 1423 965 1588 0 # 70 VAL HB 906 1.978 32.741 1.433 4 U -7.547e+02 0.00e+00 - 0 1423 965 1504 0 # 70 VAL HB 907 1.978 32.741 1.740 4 U -6.292e+02 0.00e+00 - 0 0 0 0 0 # 70 VAL HB 908 1.978 32.741 7.551 3 U -7.145e+02 0.00e+00 - 0 1423 965 179 0 # 70 VAL HB 909 1.978 32.741 8.781 3 U -1.614e+03 0.00e+00 - 0 1423 965 83 0 # 70 VAL HB 910 0.849 21.736 9.550 3 U -1.041e+03 0.00e+00 - 0 1588 1587 5 0 # 70 VAL HG1 911 0.849 21.736 8.782 3 U -3.020e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 912 0.849 21.736 7.550 3 U -5.314e+02 0.00e+00 - 0 1588 1587 179 0 # 70 VAL HG1 913 0.849 21.736 6.492 4 U -5.782e+02 0.00e+00 - 0 1588 1587 1899 0 # 70 VAL HG1 914 0.849 21.736 5.042 3 U -1.153e+03 0.00e+00 - 0 1588 1587 1373 0 # 70 VAL HG1 915 0.849 21.736 4.857 3 U -4.431e+03 0.00e+00 - 0 1588 1587 1371 0 # 70 VAL HG1 916 0.849 21.736 3.740 3 U -5.555e+02 0.00e+00 - 0 1588 1587 1323 0 # 70 VAL HG1 917 0.849 21.736 2.105 3 U -2.073e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 918 0.849 21.736 1.981 3 U -7.476e+03 0.00e+00 - 0 1588 1587 1423 0 # 70 VAL HG1 919 0.849 21.736 1.841 4 U -1.681e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 920 0.849 21.736 1.737 3 U -1.267e+03 0.00e+00 - 0 1588 1587 1456 0 # 70 VAL HG1 921 0.849 21.736 1.428 3 U -1.087e+03 0.00e+00 - 0 1588 1587 1504 0 # 70 VAL HG1 922 0.849 21.736 1.176 4 U -2.212e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG1 923 0.759 21.540 9.553 3 U -1.996e+03 0.00e+00 - 0 1589 1590 5 0 # 70 VAL HG2 924 0.759 21.540 8.815 3 U -9.937e+02 0.00e+00 - 0 0 0 0 0 # 70 VAL HG2 925 0.759 21.540 6.492 4 U -1.934e+03 0.00e+00 - 0 1589 1590 1899 0 # 70 VAL HG2 926 0.759 21.540 4.850 3 U -2.856e+03 0.00e+00 - 0 1589 1590 1371 0 # 70 VAL HG2 927 0.759 21.540 2.896 3 U -1.257e+03 0.00e+00 - 0 1589 1590 1438 0 # 70 VAL HG2 928 0.759 21.540 3.052 3 U -7.186e+02 0.00e+00 - 0 1589 1590 1465 0 # 70 VAL HG2 929 0.759 21.540 1.981 3 U -4.669e+03 0.00e+00 - 0 1589 1590 1423 0 # 70 VAL HG2 930 0.759 21.540 0.088 4 U -4.601e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL HG2 931 5.407 53.280 9.545 4 U 2.230e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 932 5.407 53.280 8.841 3 U 4.011e+03 0.00e+00 - 0 1376 853 199 0 # 71 LEU HA 933 5.407 53.280 4.701 4 U 5.139e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 934 5.407 53.280 4.347 3 U 1.904e+03 0.00e+00 - 0 1376 853 1314 0 # 71 LEU HA 935 5.407 53.280 1.791 3 U 5.829e+02 0.00e+00 - 0 1376 853 1671 0 # 71 LEU HA 936 5.407 53.280 1.636 3 U 1.158e+03 0.00e+00 - 0 1376 853 1480 0 # 71 LEU HA 937 5.407 53.280 1.429 3 U 1.975e+03 0.00e+00 - 0 1376 853 1453 0 # 71 LEU HA 938 5.407 53.280 0.668 3 U 2.049e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 939 5.407 53.280 0.766 4 U 7.648e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HA 940 1.429 44.783 9.542 3 U -5.037e+02 0.00e+00 - 0 1453 854 5 0 # 71 LEU HB2 941 1.429 44.783 5.420 3 U -8.300e+02 0.00e+00 - 0 1453 854 1376 0 # 71 LEU HB2 942 1.429 44.783 0.674 3 U -1.119e+03 0.00e+00 - 0 1453 854 1595 0 # 71 LEU HB2 943 1.429 44.783 0.754 4 U -1.224e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HB2 944 1.429 44.783 1.130 3 U -6.905e+02 0.00e+00 - 0 1453 854 1447 0 # 71 LEU HB2 945 1.429 44.783 1.287 4 U -7.998e+02 0.00e+00 - 0 1453 854 1429 0 # 71 LEU HB2 946 1.634 44.783 9.549 3 U -1.131e+03 0.00e+00 - 0 1480 854 5 0 # 71 LEU HB3 947 1.634 44.783 8.836 4 U -7.788e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HB3 948 1.634 44.783 5.410 3 U -7.135e+02 0.00e+00 - 0 1480 854 1376 0 # 71 LEU HB3 949 1.634 44.783 0.771 3 U -1.835e+03 0.00e+00 - 0 1480 854 1594 0 # 71 LEU HB3 950 1.634 44.783 0.654 3 U -5.711e+02 0.00e+00 - 0 1480 854 1595 0 # 71 LEU HB3 951 1.634 44.783 1.129 3 U -5.711e+02 0.00e+00 - 0 1480 854 1447 0 # 71 LEU HB3 952 1.520 28.457 9.545 4 U -1.197e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HG 953 1.520 28.457 5.418 3 U -1.399e+03 0.00e+00 - 0 1592 1591 1376 0 # 71 LEU HG 954 1.520 28.457 4.340 3 U -8.109e+02 0.00e+00 - 0 1592 1591 1314 0 # 71 LEU HG 955 1.520 28.457 0.664 3 U -1.800e+03 0.00e+00 - 0 1592 1591 1595 0 # 71 LEU HG 956 1.520 28.457 0.769 3 U -2.360e+03 0.00e+00 - 0 1592 1591 1594 0 # 71 LEU HG 957 0.762 26.225 9.545 4 U -1.127e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 958 0.762 26.225 8.809 3 U -5.697e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 959 0.762 26.225 7.238 4 U -8.049e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 960 0.762 26.225 5.411 3 U -8.530e+02 0.00e+00 - 0 1594 1593 1376 0 # 71 LEU HD1 962 0.762 26.225 4.840 3 U -8.410e+02 0.00e+00 - 0 1594 1593 1371 0 # 71 LEU HD1 963 0.762 26.225 4.308 4 U -6.333e+02 0.00e+00 - 0 1594 1593 1314 0 # 71 LEU HD1 964 0.762 26.225 4.378 4 U -6.232e+02 0.00e+00 - 0 1594 1593 1315 0 # 71 LEU HD1 965 0.762 26.225 3.057 4 U -7.055e+02 0.00e+00 - 0 1594 1593 1722 0 # 71 LEU HD1 966 0.762 26.225 3.196 4 U -5.519e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 967 0.762 26.225 1.642 3 U -6.652e+03 0.00e+00 - 0 1594 1593 1480 0 # 71 LEU HD1 968 0.762 26.225 1.531 3 U -8.089e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 969 0.762 26.225 1.099 3 U -2.952e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 970 0.762 26.225 1.172 4 U -1.612e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD1 971 0.662 24.203 9.545 4 U -1.906e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 972 0.662 24.203 8.857 4 U -1.817e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 973 0.662 24.203 8.445 4 U -5.122e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU HD2 974 0.662 24.203 5.410 3 U -3.601e+03 0.00e+00 - 0 1595 1596 1376 0 # 71 LEU HD2 975 0.662 24.203 4.340 3 U -4.862e+03 0.00e+00 - 0 1595 1596 1314 0 # 71 LEU HD2 976 0.662 24.203 2.083 3 U -1.592e+03 0.00e+00 - 0 1595 1596 1670 0 # 71 LEU HD2 977 0.662 24.203 1.910 4 U -1.883e+03 0.00e+00 - 0 1595 1596 1392 0 # 71 LEU HD2 978 0.662 24.203 1.777 4 U -2.514e+03 0.00e+00 - 0 1595 1596 1671 0 # 71 LEU HD2 979 0.662 24.203 1.641 3 U -4.510e+03 0.00e+00 - 0 1595 1596 1480 0 # 71 LEU HD2 980 0.662 24.203 1.524 3 U -4.720e+03 0.00e+00 - 0 1595 1596 1592 0 # 71 LEU HD2 981 0.662 24.203 1.422 3 U -3.897e+03 0.00e+00 - 0 1595 1596 1453 0 # 71 LEU HD2 982 0.662 24.203 1.127 3 U -2.076e+03 0.00e+00 - 0 1595 1596 1447 0 # 71 LEU HD2 983 2.400 35.979 10.036 3 U -1.468e+03 0.00e+00 - 0 1427 1090 35 0 # 72 VAL HB 984 2.400 35.979 4.813 3 U -2.422e+03 0.00e+00 - 0 1427 1090 1375 0 # 72 VAL HB 985 2.400 35.979 0.822 3 U -9.823e+02 0.00e+00 - 0 1427 1090 1608 0 # 72 VAL HB 986 2.400 35.979 0.970 4 U -3.545e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HB 987 2.400 35.979 0.710 3 U -2.996e+03 0.00e+00 - 0 1427 1090 1600 0 # 72 VAL HB 988 2.400 35.979 2.790 3 U -5.385e+02 0.00e+00 - 0 1427 1090 1440 0 # 72 VAL HB 989 0.972 22.840 10.041 3 U -7.667e+02 0.00e+00 - 0 1598 1597 35 0 # 72 VAL HG1 990 0.972 22.840 9.528 4 U -4.760e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 991 0.972 22.840 8.836 4 U -1.707e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 992 0.972 22.840 5.475 3 U -2.506e+03 0.00e+00 - 0 1598 1597 1335 0 # 72 VAL HG1 993 0.972 22.840 4.818 3 U -4.857e+03 0.00e+00 - 0 1598 1597 1375 0 # 72 VAL HG1 994 0.972 22.840 3.058 3 U -4.033e+03 0.00e+00 - 0 1598 1597 1465 0 # 72 VAL HG1 995 0.972 22.840 2.896 3 U -2.538e+03 0.00e+00 - 0 1598 1597 1438 0 # 72 VAL HG1 996 0.972 22.840 2.783 3 U -1.001e+03 0.00e+00 - 0 1598 1597 1440 0 # 72 VAL HG1 997 0.972 22.840 2.535 4 U -8.972e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 998 0.972 22.840 2.405 3 U -5.631e+03 0.00e+00 - 0 1598 1597 1427 0 # 72 VAL HG1 999 0.972 22.840 1.744 4 U -1.005e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 1000 0.972 22.840 1.657 3 U -6.302e+02 0.00e+00 - 0 1598 1597 1402 0 # 72 VAL HG1 1001 0.972 22.840 1.505 3 U -3.635e+03 0.00e+00 - 0 1598 1597 1411 0 # 72 VAL HG1 1002 0.972 22.840 1.291 3 U -2.167e+03 0.00e+00 - 0 1598 1597 1429 0 # 72 VAL HG1 1003 0.972 22.840 0.089 3 U -3.422e+03 0.00e+00 - 0 1598 1597 1533 0 # 72 VAL HG1 1004 0.972 22.840 0.211 4 U -6.087e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG1 1005 0.704 19.290 10.032 3 U 6.149e+02 0.00e+00 - 0 1600 1599 35 0 # 72 VAL HG2 1006 0.704 19.290 9.463 4 U 5.097e+02 0.00e+00 - 0 1600 1599 95 0 # 72 VAL HG2 1007 0.704 19.290 9.055 3 U 5.708e+02 0.00e+00 - 0 1600 1599 73 0 # 72 VAL HG2 1008 0.704 19.290 8.842 3 U 4.233e+03 0.00e+00 - 0 1600 1599 199 0 # 72 VAL HG2 1009 0.704 19.290 7.379 3 U 1.026e+03 0.00e+00 - 0 1600 1599 43 0 # 72 VAL HG2 1010 0.704 19.290 7.066 4 U 5.438e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1011 0.704 19.290 5.409 3 U 4.983e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1012 0.704 19.290 4.368 3 U 7.487e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1013 0.704 19.290 4.820 3 U 1.352e+03 0.00e+00 - 0 1600 1599 1375 0 # 72 VAL HG2 1014 0.704 19.290 3.877 3 U 5.785e+03 0.00e+00 - 0 1600 1599 1345 0 # 72 VAL HG2 1015 0.704 19.290 2.404 3 U 4.778e+03 0.00e+00 - 0 1600 1599 1427 0 # 72 VAL HG2 1016 0.704 19.290 1.941 3 U 9.677e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1017 0.704 19.290 1.502 3 U 4.892e+03 0.00e+00 - 0 1600 1599 1411 0 # 72 VAL HG2 1018 0.704 19.290 1.285 3 U 2.893e+03 0.00e+00 - 0 1600 1599 1429 0 # 72 VAL HG2 1019 0.704 19.290 1.737 3 U 7.165e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL HG2 1020 4.278 59.180 10.037 3 U 7.015e+02 0.00e+00 - 0 1374 894 35 0 # 73 HIS HA 1021 4.278 59.180 8.466 3 U 1.553e+03 0.00e+00 - 0 1374 894 13 0 # 73 HIS HA 1022 4.278 59.180 4.605 3 U 1.390e+03 0.00e+00 - 0 1374 894 1360 0 # 73 HIS HA 1023 4.278 59.180 3.084 3 U 8.824e+02 0.00e+00 - 0 1374 894 1426 0 # 73 HIS HA 1024 4.278 59.180 0.574 3 U 1.262e+03 0.00e+00 - 0 1374 894 1668 0 # 73 HIS HA 1025 2.930 31.130 10.041 3 U -6.704e+02 0.00e+00 - 0 1601 895 35 0 # 73 HIS HB2 1026 3.090 31.130 -0.834 4 U -5.406e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS HB3 1027 3.090 31.130 4.292 3 U -7.085e+02 0.00e+00 - 0 1426 895 1374 0 # 73 HIS HB3 1028 3.090 31.130 10.030 3 U -1.194e+03 0.00e+00 - 0 1426 895 35 0 # 73 HIS HB3 1029 3.817 59.548 8.470 3 U 1.776e+03 0.00e+00 - 0 1377 864 13 0 # 74 GLU HA 1030 3.817 59.548 7.397 3 U 5.367e+02 0.00e+00 - 0 1377 864 43 0 # 74 GLU HA 1031 3.817 59.548 2.171 3 U 1.364e+03 0.00e+00 - 0 1377 864 1603 0 # 74 GLU HA 1032 3.817 59.548 2.017 3 U 2.672e+03 0.00e+00 - 0 1377 864 1481 0 # 74 GLU HA 1033 3.817 59.548 1.872 3 U 2.293e+03 0.00e+00 - 0 1377 864 1454 0 # 74 GLU HA 1034 3.817 59.548 1.614 3 U 1.756e+03 0.00e+00 - 0 1377 864 1486 0 # 74 GLU HA 1035 3.817 59.548 1.478 3 U 1.796e+03 0.00e+00 - 0 0 0 0 0 # 74 GLU HA 1036 3.817 59.548 1.320 3 U 1.489e+03 0.00e+00 - 0 1377 864 1441 0 # 74 GLU HA 1037 3.817 59.548 0.855 3 U 8.140e+02 0.00e+00 - 0 1377 864 1607 0 # 74 GLU HA 1038 1.869 29.352 8.467 3 U -1.285e+03 0.00e+00 - 0 1454 865 13 0 # 74 GLU HB2 1039 1.869 29.352 3.821 3 U -2.295e+03 0.00e+00 - 0 1454 865 1377 0 # 74 GLU HB2 1040 1.869 29.352 1.477 4 U -7.537e+02 0.00e+00 - 0 1454 865 1605 0 # 74 GLU HB2 1041 1.869 29.352 1.614 4 U -9.823e+02 0.00e+00 - 0 1454 865 1486 0 # 74 GLU HB2 1042 2.022 29.352 8.455 3 U -9.809e+02 0.00e+00 - 0 1481 865 13 0 # 74 GLU HB3 1043 2.022 29.352 3.821 3 U -2.366e+03 0.00e+00 - 0 1481 865 1377 0 # 74 GLU HB3 1044 2.178 35.167 11.151 3 U -5.605e+02 0.00e+00 - 0 1603 1602 313 0 # 74 GLU HG 1045 2.178 35.167 8.468 3 U -1.652e+03 0.00e+00 - 0 1603 1602 13 0 # 74 GLU HG 1046 2.178 35.167 7.796 4 U -8.460e+02 0.00e+00 - 0 0 0 0 0 # 74 GLU HG 1047 2.178 35.167 3.824 3 U -1.232e+03 0.00e+00 - 0 1603 1602 1377 0 # 74 GLU HG 1048 2.178 35.167 1.872 3 U -3.253e+03 0.00e+00 - 0 1603 1602 1454 0 # 74 GLU HG 1049 4.578 56.834 11.126 3 U 1.209e+03 0.00e+00 - 0 1343 1740 313 0 # 75 ASP HA 1050 4.578 56.834 8.359 4 U 1.290e+03 0.00e+00 - 0 1343 1740 153 0 # 75 ASP HA 1051 4.578 56.834 2.832 3 U 6.002e+03 0.00e+00 - 0 1343 1740 1409 0 # 75 ASP HA 1052 2.822 40.077 11.146 3 U -1.403e+03 0.00e+00 - 0 1409 1741 313 0 # 75 ASP HB 1053 2.822 40.077 8.318 3 U -5.888e+02 0.00e+00 - 0 1409 1741 153 0 # 75 ASP HB 1054 2.822 40.077 7.800 4 U -6.925e+02 0.00e+00 - 0 0 0 0 0 # 75 ASP HB 1055 2.822 40.077 4.585 3 U -3.020e+03 0.00e+00 - 0 1409 1741 1343 0 # 75 ASP HB 1056 5.096 54.166 8.339 3 U 1.157e+03 0.00e+00 - 0 1344 1067 153 0 # 76 ASP HA 1057 5.096 54.166 7.400 3 U 8.512e+02 0.00e+00 - 0 1344 1067 43 0 # 76 ASP HA 1058 5.096 54.166 2.991 3 U 2.616e+03 0.00e+00 - 0 1344 1067 1467 0 # 76 ASP HA 1059 5.096 54.166 2.786 3 U 1.748e+03 0.00e+00 - 0 1344 1067 1440 0 # 76 ASP HA 1060 5.096 54.166 0.822 3 U 6.894e+02 0.00e+00 - 0 0 0 0 0 # 76 ASP HA 1061 5.096 54.166 0.967 3 U 7.859e+02 0.00e+00 - 0 1344 1067 1539 0 # 76 ASP HA 1062 2.992 43.650 8.342 3 U -1.114e+03 0.00e+00 - 0 1467 1068 153 0 # 76 ASP HB3 1063 2.992 43.650 5.088 3 U -1.225e+03 0.00e+00 - 0 1467 1068 1344 0 # 76 ASP HB3 1064 2.992 43.650 2.399 3 U -6.282e+02 0.00e+00 - 0 1467 1068 1427 0 # 76 ASP HB3 1065 2.992 43.650 0.958 4 U -1.854e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP HB3 1066 2.784 43.650 8.319 3 U -9.326e+02 0.00e+00 - 0 1440 1068 153 0 # 76 ASP HB2 1067 2.784 43.650 5.099 3 U -6.023e+02 0.00e+00 - 0 1440 1068 1344 0 # 76 ASP HB2 1068 2.784 43.650 2.413 3 U -5.158e+02 0.00e+00 - 0 1440 1068 1427 0 # 76 ASP HB2 1069 2.784 43.650 0.960 4 U -1.188e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP HB2 1070 3.870 58.845 8.830 4 U 7.356e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1071 3.870 58.845 1.950 3 U 1.694e+03 0.00e+00 - 0 1345 908 1468 0 # 77 LEU HA 1072 3.870 58.845 1.499 4 U 5.239e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1073 3.870 58.845 1.315 3 U 2.270e+03 0.00e+00 - 0 1345 908 1441 0 # 77 LEU HA 1074 3.870 58.845 0.715 3 U 4.937e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1075 3.870 58.845 0.818 3 U 6.380e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HA 1076 1.320 42.757 9.054 3 U -6.844e+02 0.00e+00 - 0 1441 909 73 0 # 77 LEU HB2 1077 1.320 42.757 7.395 3 U -1.500e+03 0.00e+00 - 0 1441 909 43 0 # 77 LEU HB2 1078 1.320 42.757 3.853 3 U -1.962e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HB2 1079 1.320 42.757 1.475 3 U -2.583e+03 0.00e+00 - 0 1441 909 1605 0 # 77 LEU HB2 1080 1.952 42.757 9.054 3 U -1.234e+03 0.00e+00 - 0 1468 909 73 0 # 77 LEU HB3 1081 1.952 42.757 7.392 3 U -1.996e+03 0.00e+00 - 0 1468 909 43 0 # 77 LEU HB3 1082 1.952 42.757 3.868 3 U -1.343e+03 0.00e+00 - 0 1468 909 1345 0 # 77 LEU HB3 1083 1.952 42.757 1.476 3 U -2.439e+03 0.00e+00 - 0 1468 909 1605 0 # 77 LEU HB3 1084 1.952 42.757 1.324 3 U -6.612e+03 0.00e+00 - 0 1468 909 1441 0 # 77 LEU HB3 1085 1.952 42.757 0.851 4 U -2.417e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HB3 1090 0.872 25.539 9.979 4 U -5.988e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1091 0.872 25.539 7.388 3 U -8.209e+02 0.00e+00 - 0 1607 1606 43 0 # 77 LEU HD1 1092 0.872 25.539 3.853 3 U -1.687e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1093 0.872 25.539 3.174 3 U -8.957e+02 0.00e+00 - 0 1607 1606 1490 0 # 77 LEU HD1 1094 0.872 25.539 2.787 3 U -5.150e+02 0.00e+00 - 0 1607 1606 1440 0 # 77 LEU HD1 1095 0.872 25.539 1.950 3 U -4.345e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1096 0.872 25.539 1.474 3 U -6.981e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD1 1097 0.872 25.539 1.337 3 U -5.109e+03 0.00e+00 - 0 1607 1606 1441 0 # 77 LEU HD1 1098 0.807 23.336 8.826 3 U -8.229e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1099 0.807 23.336 8.725 3 U -4.760e+02 0.00e+00 - 0 1608 1609 151 0 # 77 LEU HD2 1100 0.807 23.336 7.392 3 U -1.414e+03 0.00e+00 - 0 1608 1609 43 0 # 77 LEU HD2 1101 0.807 23.336 4.393 4 U -2.819e+03 0.00e+00 - 0 1608 1609 1315 0 # 77 LEU HD2 1102 0.807 23.336 3.868 3 U -7.726e+03 0.00e+00 - 0 1608 1609 1345 0 # 77 LEU HD2 1103 0.807 23.336 3.116 3 U -1.011e+03 0.00e+00 - 0 1608 1609 1615 0 # 77 LEU HD2 1104 0.807 23.336 3.249 3 U -1.154e+03 0.00e+00 - 0 1608 1609 1614 0 # 77 LEU HD2 1105 0.807 23.336 1.939 4 U -4.624e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1106 0.807 23.336 1.805 3 U -2.408e+03 0.00e+00 - 0 1608 1609 1473 0 # 77 LEU HD2 1107 0.807 23.336 1.477 3 U -1.211e+04 0.00e+00 - 0 0 0 0 0 # 77 LEU HD2 1108 4.101 55.407 9.051 3 U 2.182e+03 0.00e+00 - 0 1346 948 73 0 # 78 ALA HA 1109 4.101 55.407 8.742 3 U 5.935e+02 0.00e+00 - 0 1346 948 151 0 # 78 ALA HA 1110 4.101 55.407 8.841 3 U 6.663e+02 0.00e+00 - 0 1346 948 217 0 # 78 ALA HA 1111 4.101 55.407 3.276 4 U 6.382e+02 0.00e+00 - 0 1346 948 1614 0 # 78 ALA HA 1112 4.101 55.407 3.848 4 U 5.772e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA HA 1113 4.101 55.407 1.941 3 U 1.898e+03 0.00e+00 - 0 1346 948 1412 0 # 78 ALA HA 1114 4.101 55.407 1.478 3 U 9.386e+03 0.00e+00 - 0 1346 948 1410 0 # 78 ALA HA 1115 1.476 17.703 9.191 4 U 1.049e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA HB 1116 1.476 17.703 9.054 3 U 1.001e+04 0.00e+00 - 0 1410 949 73 0 # 78 ALA HB 1117 1.476 17.703 8.836 3 U 4.998e+03 0.00e+00 - 0 1410 949 217 0 # 78 ALA HB 1118 1.476 17.703 8.046 4 U 6.085e+02 0.00e+00 - 0 1410 949 47 0 # 78 ALA HB 1119 1.476 17.703 4.102 3 U 1.390e+04 0.00e+00 - 0 1410 949 1346 0 # 78 ALA HB 1120 3.827 46.562 8.837 4 U -2.844e+03 0.00e+00 - 0 0 0 0 0 # 79 GLY HA2 1121 3.827 46.562 2.024 3 U -6.212e+02 0.00e+00 - 0 1382 1101 1413 0 # 79 GLY HA2 1122 3.938 46.562 8.837 4 U -3.579e+03 0.00e+00 - 0 0 0 0 0 # 79 GLY HA3 1123 3.938 46.562 2.023 3 U -1.025e+03 0.00e+00 - 0 1387 1101 1413 0 # 79 GLY HA3 1124 3.988 54.815 8.840 4 U 2.736e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HA 1125 3.988 54.815 7.964 3 U 8.938e+02 0.00e+00 - 0 1347 879 91 0 # 80 ALA HA 1126 3.988 54.815 1.757 3 U 3.500e+03 0.00e+00 - 0 1347 879 1414 0 # 80 ALA HA 1127 3.988 54.815 0.924 3 U 2.102e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HA 1128 3.988 54.815 0.603 3 U 1.615e+03 0.00e+00 - 0 1347 879 1532 0 # 80 ALA HA 1129 1.505 19.753 8.844 3 U 6.806e+03 0.00e+00 - 0 1411 880 25 0 # 80 ALA HB 1130 1.505 19.753 8.731 3 U 2.993e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1131 1.505 19.753 8.335 4 U 6.092e+02 0.00e+00 - 0 1411 880 117 0 # 80 ALA HB 1132 1.505 19.753 3.984 3 U 9.272e+03 0.00e+00 - 0 1411 880 1347 0 # 80 ALA HB 1133 1.505 19.753 0.077 3 U 6.613e+02 0.00e+00 - 0 1411 880 1533 0 # 80 ALA HB 1134 1.505 19.753 0.370 4 U 6.472e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1135 1.505 19.753 0.605 3 U 5.456e+03 0.00e+00 - 0 1411 880 1532 0 # 80 ALA HB 1136 1.505 19.753 0.743 3 U 1.314e+04 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1137 1.505 19.753 0.869 4 U 9.363e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1138 1.505 19.753 0.964 4 U 6.581e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA HB 1139 3.844 60.068 8.738 3 U 1.547e+03 0.00e+00 - 0 1348 1063 151 0 # 81 ARG HA 1140 3.844 60.068 8.075 3 U 7.457e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1141 3.844 60.068 0.883 4 U 3.455e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1142 3.844 60.068 1.558 3 U 1.638e+03 0.00e+00 - 0 1348 1063 1611 0 # 81 ARG HA 1143 3.844 60.068 1.427 3 U 1.029e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1144 3.844 60.068 1.805 3 U 1.344e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1145 3.844 60.068 1.926 4 U 3.568e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HA 1146 1.924 30.062 8.724 3 U -1.482e+03 0.00e+00 - 0 1412 1064 151 0 # 81 ARG HB 1147 1.924 30.062 8.079 3 U -8.520e+02 0.00e+00 - 0 1412 1064 47 0 # 81 ARG HB 1148 1.924 30.062 4.114 3 U -7.005e+02 0.00e+00 - 0 1412 1064 1346 0 # 81 ARG HB 1149 1.924 30.062 3.845 3 U -1.045e+03 0.00e+00 - 0 1412 1064 1348 0 # 81 ARG HB 1150 1.924 30.062 1.552 3 U -1.389e+03 0.00e+00 - 0 1412 1064 1611 0 # 81 ARG HB 1151 1.924 30.062 0.921 4 U -7.607e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HB 1152 1.550 29.131 8.751 3 U -5.122e+02 0.00e+00 - 0 1611 1610 151 0 # 81 ARG HG2 1153 1.550 29.131 3.849 3 U -7.868e+02 0.00e+00 - 0 1611 1610 1348 0 # 81 ARG HG2 1154 1.550 29.131 3.253 3 U -5.441e+02 0.00e+00 - 0 1611 1610 1614 0 # 81 ARG HG2 1155 1.550 29.131 3.120 3 U -5.746e+02 0.00e+00 - 0 1611 1610 1615 0 # 81 ARG HG2 1156 1.550 29.131 1.936 4 U -4.573e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG2 1157 1.550 29.131 0.878 4 U -1.456e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG2 1158 1.939 29.131 8.754 3 U -7.206e+02 0.00e+00 - 0 1612 1610 151 0 # 81 ARG HG3 1159 1.939 29.131 3.249 3 U -6.059e+02 0.00e+00 - 0 1612 1610 1614 0 # 81 ARG HG3 1160 1.939 29.131 3.846 3 U -8.169e+02 0.00e+00 - 0 1612 1610 1348 0 # 81 ARG HG3 1161 1.939 29.131 1.553 3 U -3.036e+03 0.00e+00 - 0 1612 1610 1611 0 # 81 ARG HG3 1162 1.939 29.131 0.902 3 U -1.048e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HG3 1163 1.924 30.062 3.257 3 U -5.526e+02 0.00e+00 - 0 1412 1064 1614 0 # 81 ARG HB 1164 1.924 30.062 3.107 3 U -6.734e+02 0.00e+00 - 0 1412 1064 1615 0 # 81 ARG HB 1165 3.106 43.646 7.582 4 U -5.335e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1166 3.106 43.646 3.823 4 U -7.677e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1167 3.106 43.646 1.537 3 U -1.484e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HD2 1168 3.243 43.646 8.724 3 U -5.172e+02 0.00e+00 - 0 1614 1613 151 0 # 81 ARG HD3 1169 3.243 43.646 4.121 4 U -6.393e+02 0.00e+00 - 0 1614 1613 1346 0 # 81 ARG HD3 1170 3.243 43.646 3.717 4 U -8.179e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HD3 1171 3.243 43.646 1.928 4 U -3.482e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG HD3 1172 4.041 59.080 8.086 3 U 2.276e+03 0.00e+00 - 0 1349 912 47 0 # 82 ARG HA 1173 4.041 59.080 8.209 4 U 6.085e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1174 4.041 59.080 8.319 3 U 6.522e+02 0.00e+00 - 0 1349 912 123 0 # 82 ARG HA 1175 4.041 59.080 7.964 3 U 6.301e+02 0.00e+00 - 0 1349 912 91 0 # 82 ARG HA 1176 4.041 59.080 8.778 3 U 8.867e+02 0.00e+00 - 0 1349 912 23 0 # 82 ARG HA 1177 4.041 59.080 4.445 3 U 2.636e+03 0.00e+00 - 0 1349 912 1415 0 # 82 ARG HA 1178 4.041 59.080 4.285 4 U 1.246e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1179 4.041 59.080 3.276 3 U 1.231e+03 0.00e+00 - 0 1349 912 1619 0 # 82 ARG HA 1180 4.041 59.080 2.011 3 U 4.602e+03 0.00e+00 - 0 1349 912 1413 0 # 82 ARG HA 1181 4.041 59.080 1.730 3 U 2.732e+03 0.00e+00 - 0 1349 912 1617 0 # 82 ARG HA 1182 4.041 59.080 1.868 4 U 7.326e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HA 1183 4.041 59.080 1.303 3 U 6.184e+02 0.00e+00 - 0 1349 912 1632 0 # 82 ARG HA 1184 2.013 29.783 8.210 3 U -5.853e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HB 1185 2.013 29.783 8.083 3 U -3.494e+03 0.00e+00 - 0 1413 913 47 0 # 82 ARG HB 1186 2.013 29.783 7.964 3 U -1.502e+03 0.00e+00 - 0 1413 913 91 0 # 82 ARG HB 1187 2.013 29.783 4.040 3 U -2.246e+03 0.00e+00 - 0 1413 913 1349 0 # 82 ARG HB 1188 2.013 29.783 3.286 3 U -9.795e+02 0.00e+00 - 0 1413 913 1619 0 # 82 ARG HB 1189 1.720 26.896 8.783 4 U -5.108e+02 0.00e+00 - 0 1617 1616 23 0 # 82 ARG HG 1190 1.720 26.896 8.080 3 U -1.170e+03 0.00e+00 - 0 1617 1616 47 0 # 82 ARG HG 1191 1.720 26.896 4.040 3 U -2.542e+03 0.00e+00 - 0 1617 1616 1349 0 # 82 ARG HG 1192 1.720 26.896 3.277 3 U -5.447e+03 0.00e+00 - 0 1617 1616 1619 0 # 82 ARG HG 1193 3.277 43.188 8.042 4 U -6.925e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HD 1194 3.277 43.188 4.042 3 U -2.431e+03 0.00e+00 - 0 1619 1618 1349 0 # 82 ARG HD 1195 3.277 43.188 2.000 3 U -3.197e+03 0.00e+00 - 0 1619 1618 1413 0 # 82 ARG HD 1196 3.277 43.188 1.725 3 U -9.271e+03 0.00e+00 - 0 1619 1618 1617 0 # 82 ARG HD 1197 4.148 57.509 7.977 3 U 2.491e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1198 4.148 57.509 8.756 3 U 7.788e+02 0.00e+00 - 0 1350 976 23 0 # 83 LEU HA 1199 4.148 57.509 2.852 3 U 1.433e+03 0.00e+00 - 0 1350 976 1470 0 # 83 LEU HA 1200 4.148 57.509 2.731 3 U 6.492e+02 0.00e+00 - 0 1350 976 1443 0 # 83 LEU HA 1201 4.148 57.509 1.532 4 U 1.161e+03 0.00e+00 - 0 1350 976 1621 0 # 83 LEU HA 1202 4.148 57.509 1.300 4 U 5.907e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1203 4.148 57.509 1.758 3 U 6.444e+03 0.00e+00 - 0 1350 976 1414 0 # 83 LEU HA 1204 4.148 57.509 0.903 3 U 3.801e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1205 4.148 57.509 0.818 3 U 2.049e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HA 1206 1.757 42.522 7.991 3 U -5.318e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HB 1207 1.757 42.522 3.985 3 U -2.828e+03 0.00e+00 - 0 1414 977 1347 0 # 83 LEU HB 1208 1.757 42.522 4.149 3 U -4.050e+03 0.00e+00 - 0 1414 977 1350 0 # 83 LEU HB 1209 1.757 42.522 0.852 4 U -5.093e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HB 1210 1.558 26.680 7.967 3 U -1.267e+03 0.00e+00 - 0 1621 1620 91 0 # 83 LEU HG 1211 1.558 26.680 0.878 4 U -3.462e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HG 1212 0.907 24.867 7.977 3 U -9.965e+02 0.00e+00 - 0 1622 1623 91 0 # 83 LEU HD1 1213 0.907 24.867 4.149 3 U -5.816e+03 0.00e+00 - 0 1622 1623 1350 0 # 83 LEU HD1 1214 0.907 24.867 3.989 3 U -2.546e+03 0.00e+00 - 0 1622 1623 1347 0 # 83 LEU HD1 1215 0.907 24.867 3.872 4 U -1.480e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1216 0.907 24.867 1.759 4 U -7.021e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1217 0.907 24.867 1.587 4 U -5.889e+03 0.00e+00 - 0 1622 1623 1621 0 # 83 LEU HD1 1218 0.907 24.867 1.463 3 U -8.646e+03 0.00e+00 - 0 1622 1623 1401 0 # 83 LEU HD1 1219 0.826 25.987 7.992 4 U -6.059e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU HD2 1220 0.826 25.987 4.132 3 U -1.526e+03 0.00e+00 - 0 1624 1625 1350 0 # 83 LEU HD2 1221 0.826 25.987 3.994 3 U -7.948e+02 0.00e+00 - 0 1624 1625 1347 0 # 83 LEU HD2 1222 0.826 25.987 3.867 3 U -1.758e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD2 1223 0.826 25.987 1.914 3 U -1.347e+03 0.00e+00 - 0 1624 1625 1461 0 # 83 LEU HD2 1224 0.826 25.987 1.754 3 U -6.379e+03 0.00e+00 - 0 1624 1625 1414 0 # 83 LEU HD2 1225 0.826 25.987 1.450 3 U -6.154e+03 0.00e+00 - 0 1624 1625 1401 0 # 83 LEU HD2 1226 0.826 25.987 1.316 3 U -2.514e+03 0.00e+00 - 0 1624 1625 1434 0 # 83 LEU HD2 1227 0.826 25.987 0.584 3 U -4.925e+03 0.00e+00 - 0 1624 1625 1532 0 # 83 LEU HD2 1228 0.907 24.867 0.578 4 U -3.177e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU HD1 1229 3.886 58.633 8.030 3 U 2.182e+03 0.00e+00 - 0 1351 1051 145 0 # 84 LEU HA 1230 3.886 58.633 7.438 3 U 1.043e+03 0.00e+00 - 0 1351 1051 109 0 # 84 LEU HA 1231 3.886 58.633 1.793 4 U 3.545e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HA 1232 1.434 40.763 8.022 3 U -1.103e+03 0.00e+00 - 0 1442 1052 145 0 # 84 LEU HB2 1233 1.434 40.763 8.295 3 U -4.753e+02 0.00e+00 - 0 1442 1052 123 0 # 84 LEU HB2 1234 1.434 40.763 3.880 3 U -2.147e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1235 1.434 40.763 1.778 3 U -8.873e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1236 1.434 40.763 0.863 3 U -1.369e+03 0.00e+00 - 0 1442 1052 1629 0 # 84 LEU HB2 1237 1.434 40.763 0.774 4 U -1.401e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB2 1238 3.886 58.633 8.317 3 U 4.805e+02 0.00e+00 - 0 1351 1051 123 0 # 84 LEU HA 1239 1.767 40.763 8.319 3 U -4.618e+02 0.00e+00 - 0 1469 1052 123 0 # 84 LEU HB3 1240 1.767 40.763 8.039 3 U -1.492e+03 0.00e+00 - 0 1469 1052 145 0 # 84 LEU HB3 1241 1.767 40.763 3.884 3 U -1.456e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB3 1242 1.767 40.763 1.440 3 U -6.628e+03 0.00e+00 - 0 1469 1052 1442 0 # 84 LEU HB3 1243 1.767 40.763 1.531 4 U -1.212e+03 0.00e+00 - 0 1469 1052 1743 0 # 84 LEU HB3 1244 1.767 40.763 0.863 3 U -1.630e+03 0.00e+00 - 0 1469 1052 1629 0 # 84 LEU HB3 1245 1.767 40.763 0.765 4 U -1.015e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HB3 1246 1.821 30.240 8.036 3 U -1.942e+03 0.00e+00 - 0 1627 1626 145 0 # 84 LEU HG 1247 1.821 30.240 3.876 3 U -2.554e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1248 1.821 30.240 1.449 3 U -2.562e+03 0.00e+00 - 0 1627 1626 1442 0 # 84 LEU HG 1249 1.821 30.240 0.770 3 U -4.294e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1250 1.821 30.240 0.856 3 U -3.783e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HG 1251 0.859 24.919 8.314 4 U -5.612e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1252 0.859 24.919 8.024 3 U -2.984e+03 0.00e+00 - 0 1629 1628 145 0 # 84 LEU HD1 1253 0.859 24.919 3.877 4 U -3.486e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1254 0.859 24.919 3.406 3 U -1.019e+03 0.00e+00 - 0 1629 1628 1326 0 # 84 LEU HD1 1255 0.859 24.919 1.783 3 U -8.487e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1256 0.859 24.919 1.544 3 U -7.521e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD1 1257 0.859 24.919 1.426 4 U -7.930e+03 0.00e+00 - 0 1629 1628 1442 0 # 84 LEU HD1 1258 0.859 24.919 0.086 3 U -1.693e+03 0.00e+00 - 0 1629 1628 1533 0 # 84 LEU HD1 1259 0.782 25.363 8.029 3 U -1.257e+03 0.00e+00 - 0 1631 1630 145 0 # 84 LEU HD2 1260 0.782 25.363 3.877 3 U -4.629e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1261 0.782 25.363 2.120 3 U -1.103e+03 0.00e+00 - 0 1631 1630 1399 0 # 84 LEU HD2 1262 0.782 25.363 1.802 3 U -9.748e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1263 0.782 25.363 1.692 4 U -3.117e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1264 0.782 25.363 1.451 3 U -9.373e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU HD2 1265 3.916 67.110 8.673 3 U 9.876e+02 0.00e+00 - 0 1352 1026 55 0 # 85 THR HA 1266 3.916 67.110 8.309 3 U 5.921e+02 0.00e+00 - 0 1352 1026 123 0 # 85 THR HA 1267 3.916 67.110 5.418 4 U 8.321e+02 0.00e+00 - 0 0 0 0 0 # 85 THR HA 1268 3.916 67.110 1.556 3 U 2.861e+03 0.00e+00 - 0 1352 1026 1743 0 # 85 THR HA 1269 3.916 67.110 1.419 4 U 7.979e+02 0.00e+00 - 0 1352 1026 1442 0 # 85 THR HA 1270 3.916 67.110 1.309 3 U 2.652e+03 0.00e+00 - 0 1352 1026 1632 0 # 85 THR HA 1271 4.437 67.983 8.769 3 U 1.046e+03 0.00e+00 - 0 1415 1027 23 0 # 85 THR HB 1272 4.437 67.983 8.311 3 U 1.499e+03 0.00e+00 - 0 1415 1027 123 0 # 85 THR HB 1273 4.437 67.983 1.309 3 U 3.009e+03 0.00e+00 - 0 1415 1027 1632 0 # 85 THR HB 1274 1.303 21.049 8.778 3 U 1.398e+03 0.00e+00 - 0 1632 1633 23 0 # 85 THR HG2 1275 1.303 21.049 8.304 3 U 1.175e+03 0.00e+00 - 0 1632 1633 123 0 # 85 THR HG2 1276 1.303 21.049 4.442 3 U 8.090e+03 0.00e+00 - 0 1632 1633 1415 0 # 85 THR HG2 1277 1.303 21.049 4.062 4 U 1.654e+03 0.00e+00 - 0 1632 1633 1349 0 # 85 THR HG2 1278 1.303 21.049 3.924 4 U 6.918e+03 0.00e+00 - 0 0 0 0 0 # 85 THR HG2 1279 4.466 56.995 9.115 4 U 9.577e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP HA 1280 4.466 56.995 8.770 3 U 2.102e+03 0.00e+00 - 0 1353 876 23 0 # 86 ASP HA 1281 4.466 56.995 7.419 3 U 1.053e+03 0.00e+00 - 0 1353 876 109 0 # 86 ASP HA 1282 4.466 56.995 2.731 3 U 4.165e+03 0.00e+00 - 0 1353 876 1443 0 # 86 ASP HA 1283 4.466 56.995 2.853 3 U 3.278e+03 0.00e+00 - 0 1353 876 1470 0 # 86 ASP HA 1284 4.466 56.995 1.339 4 U 8.552e+02 0.00e+00 - 0 1353 876 1632 0 # 86 ASP HA 1285 4.466 56.995 0.434 4 U 1.080e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP HA 1286 2.724 39.839 8.766 3 U -1.991e+03 0.00e+00 - 0 1443 877 23 0 # 86 ASP HB2 1287 2.724 39.839 7.424 3 U -8.731e+02 0.00e+00 - 0 1443 877 109 0 # 86 ASP HB2 1288 2.724 39.839 4.465 3 U -2.494e+03 0.00e+00 - 0 1443 877 1353 0 # 86 ASP HB2 1289 2.724 39.839 4.151 3 U -6.915e+02 0.00e+00 - 0 1443 877 1350 0 # 86 ASP HB2 1290 2.852 39.839 8.774 3 U -1.823e+03 0.00e+00 - 0 1470 877 23 0 # 86 ASP HB3 1291 2.852 39.839 7.428 3 U -9.085e+02 0.00e+00 - 0 1470 877 109 0 # 86 ASP HB3 1292 2.852 39.839 4.464 3 U -1.854e+03 0.00e+00 - 0 1470 877 1353 0 # 86 ASP HB3 1293 2.852 39.839 4.149 3 U -1.085e+03 0.00e+00 - 0 1470 877 1350 0 # 86 ASP HB3 1294 2.852 39.839 3.112 4 U -1.632e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP HB3 1295 4.460 51.799 7.801 3 U 1.523e+03 0.00e+00 - 0 1354 1000 225 0 # 87 ALA HA 1296 4.460 51.799 7.430 3 U 1.784e+03 0.00e+00 - 0 1354 1000 109 0 # 87 ALA HA 1297 4.460 51.799 1.510 3 U 9.329e+03 0.00e+00 - 0 1354 1000 1416 0 # 87 ALA HA 1298 1.511 19.944 8.067 4 U 1.656e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1299 1.511 19.944 7.953 3 U 6.211e+02 0.00e+00 - 0 1411 880 91 0 # 87 ALA HB 1300 1.511 19.944 7.805 3 U 1.161e+03 0.00e+00 - 0 1416 1001 225 0 # 87 ALA HB 1301 1.511 19.944 7.424 3 U 7.715e+03 0.00e+00 - 0 1416 1001 109 0 # 87 ALA HB 1302 1.511 19.944 4.463 3 U 1.181e+04 0.00e+00 - 0 1416 1001 1354 0 # 87 ALA HB 1303 1.511 19.944 3.883 3 U 8.056e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1304 1.511 19.944 0.763 3 U 1.513e+04 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1305 1.511 19.944 0.845 3 U 1.151e+04 0.00e+00 - 0 0 0 0 0 # 87 ALA HB 1306 4.106 46.111 7.817 3 U -2.343e+03 0.00e+00 - 0 1383 1110 225 0 # 88 GLY HA2 1307 4.106 46.111 8.053 3 U -6.030e+02 0.00e+00 - 0 1383 1110 129 0 # 88 GLY HA2 1308 4.106 46.111 4.296 3 U -1.046e+04 0.00e+00 - 0 1383 1110 1388 0 # 88 GLY HA2 1309 4.292 46.111 9.365 4 U -6.302e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1310 4.292 46.111 7.808 3 U -2.258e+03 0.00e+00 - 0 1388 1110 225 0 # 88 GLY HA3 1311 4.292 46.111 4.104 3 U -1.094e+04 0.00e+00 - 0 1388 1110 1383 0 # 88 GLY HA3 1312 4.648 53.482 8.672 3 U 1.726e+03 0.00e+00 - 0 1355 1036 55 0 # 89 LEU HA 1313 4.648 53.482 8.072 3 U 3.307e+03 0.00e+00 - 0 1355 1036 129 0 # 89 LEU HA 1314 4.648 53.482 1.532 3 U 3.222e+03 0.00e+00 - 0 1355 1036 1471 0 # 89 LEU HA 1315 4.648 53.482 1.426 4 U 2.616e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HA 1316 4.648 53.482 0.954 3 U 1.684e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HA 1317 4.648 53.482 0.792 3 U 4.750e+03 0.00e+00 - 0 1355 1036 1638 0 # 89 LEU HA 1318 1.444 42.303 7.936 4 U -4.363e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1319 1.444 42.303 8.070 3 U -7.115e+02 0.00e+00 - 0 1444 1037 129 0 # 89 LEU HB2 1320 1.444 42.303 5.076 4 U -4.448e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1321 1.444 42.303 4.643 3 U -8.815e+02 0.00e+00 - 0 1444 1037 1355 0 # 89 LEU HB2 1322 1.444 42.303 0.714 3 U -1.488e+03 0.00e+00 - 0 1444 1037 1637 0 # 89 LEU HB2 1323 1.444 42.303 0.797 4 U -1.018e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HB2 1324 1.540 42.303 8.062 4 U -6.925e+02 0.00e+00 - 0 1471 1037 129 0 # 89 LEU HB3 1325 1.540 42.303 4.640 3 U -5.867e+02 0.00e+00 - 0 1471 1037 1355 0 # 89 LEU HB3 1326 1.540 42.303 0.742 4 U -1.590e+03 0.00e+00 - 0 1471 1037 1637 0 # 89 LEU HB3 1327 1.540 42.303 0.821 4 U -1.405e+03 0.00e+00 - 0 1471 1037 1638 0 # 89 LEU HB3 1328 1.420 26.226 8.074 3 U -8.671e+02 0.00e+00 - 0 1635 1634 129 0 # 89 LEU HG 1329 1.420 26.226 8.809 3 U -4.625e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1330 1.420 26.226 4.649 3 U -6.593e+02 0.00e+00 - 0 1635 1634 1355 0 # 89 LEU HG 1331 1.420 26.226 0.767 3 U -3.016e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1332 0.719 25.788 4.244 4 U -6.353e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1333 0.719 25.788 3.387 3 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1334 0.719 25.788 1.965 3 U -2.002e+03 0.00e+00 - 0 1673 1672 1423 0 # 89 LEU HD1 1335 0.719 25.788 1.452 4 U -2.053e+04 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1336 0.719 25.788 1.559 4 U -8.782e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HD1 1337 0.795 22.944 8.078 3 U -2.394e+03 0.00e+00 - 0 1638 1639 129 0 # 89 LEU HD2 1338 0.795 22.944 7.700 4 U -7.015e+02 0.00e+00 - 0 1638 1639 139 0 # 89 LEU HD2 1339 0.795 22.944 6.383 4 U -4.888e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1340 0.795 22.944 4.641 3 U -8.566e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1341 0.795 22.944 4.297 3 U -5.441e+02 0.00e+00 - 0 1638 1639 1388 0 # 89 LEU HD2 1342 0.795 22.944 2.102 3 U -1.592e+03 0.00e+00 - 0 1638 1639 1646 0 # 89 LEU HD2 1343 0.795 22.944 1.424 3 U -1.041e+04 0.00e+00 - 0 0 0 0 0 # 89 LEU HD2 1344 0.795 22.944 1.551 3 U -7.487e+03 0.00e+00 - 0 1638 1639 1471 0 # 89 LEU HD2 1345 3.929 54.636 8.663 3 U 1.505e+03 0.00e+00 - 0 1742 927 55 0 # 90 ALA HA 1346 3.929 54.636 1.790 3 U 2.612e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1347 3.929 54.636 1.670 4 U 1.278e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1348 3.929 54.636 1.560 3 U 6.773e+03 0.00e+00 - 0 1742 927 1743 0 # 90 ALA HA 1349 3.929 54.636 0.941 3 U 3.134e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HA 1350 1.553 19.698 8.665 3 U 7.272e+03 0.00e+00 - 0 1743 928 55 0 # 90 ALA HB 1351 1.553 19.698 8.519 4 U 6.432e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1352 1.553 19.698 8.072 4 U 9.932e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1353 1.553 19.698 4.474 3 U 1.541e+03 0.00e+00 - 0 1743 928 1369 0 # 90 ALA HB 1354 1.553 19.698 3.929 4 U 1.520e+04 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1355 1.553 19.698 1.307 3 U 7.988e+03 0.00e+00 - 0 1743 928 1632 0 # 90 ALA HB 1356 1.553 19.698 0.936 3 U 2.837e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA HB 1357 4.474 57.685 7.644 4 U 1.159e+03 0.00e+00 - 0 1369 1744 139 0 # 91 HIS HA 1358 4.474 57.685 3.223 3 U 4.148e+03 0.00e+00 - 0 1369 1744 1479 0 # 91 HIS HA 1359 4.474 57.685 3.089 3 U 4.818e+03 0.00e+00 - 0 1369 1744 1452 0 # 91 HIS HA 1360 3.094 29.567 4.476 3 U -2.799e+03 0.00e+00 - 0 1452 1745 1369 0 # 91 HIS HB2 1361 3.221 29.567 7.060 4 U -5.959e+02 0.00e+00 - 0 1479 1745 1901 0 # 91 HIS HB3 1362 3.221 29.567 4.475 3 U -2.840e+03 0.00e+00 - 0 1479 1745 1369 0 # 91 HIS HB3 1363 4.580 55.281 7.684 3 U 6.572e+02 0.00e+00 - 0 1368 1040 139 0 # 92 GLU HA 1364 4.580 55.281 7.337 3 U 1.531e+03 0.00e+00 - 0 1368 1040 147 0 # 92 GLU HA 1365 4.580 55.281 2.213 3 U 4.227e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HA 1366 4.580 55.281 2.093 3 U 2.772e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HA 1367 1.620 29.346 7.664 3 U -1.130e+03 0.00e+00 - 0 1451 1041 139 0 # 92 GLU HB2 1368 1.620 29.346 7.500 4 U -5.179e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB2 1369 1.620 29.346 7.365 4 U -4.718e+02 0.00e+00 - 0 1451 1041 147 0 # 92 GLU HB2 1370 1.620 29.346 4.585 3 U -1.130e+03 0.00e+00 - 0 1451 1041 1368 0 # 92 GLU HB2 1371 1.620 29.346 2.214 3 U -7.521e+03 0.00e+00 - 0 1451 1041 1478 0 # 92 GLU HB2 1372 1.620 29.346 2.103 3 U -1.815e+03 0.00e+00 - 0 1451 1041 1646 0 # 92 GLU HB2 1373 1.620 29.346 0.717 4 U -4.491e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB2 1374 2.208 29.346 7.664 3 U -5.725e+02 0.00e+00 - 0 1478 1041 139 0 # 92 GLU HB3 1375 2.208 29.346 4.583 3 U -1.928e+03 0.00e+00 - 0 1478 1041 1368 0 # 92 GLU HB3 1376 2.208 29.346 1.621 3 U -8.362e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HB3 1377 2.208 29.346 0.953 4 U -9.568e+02 0.00e+00 - 0 1478 1041 1686 0 # 92 GLU HB3 1378 2.208 29.346 0.730 4 U -9.341e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU HB3 1379 1.656 34.382 7.670 3 U -7.366e+02 0.00e+00 - 0 1648 1647 139 0 # 92 GLU HG2 1380 1.656 34.382 2.089 3 U -9.350e+03 0.00e+00 - 0 1648 1647 1646 0 # 92 GLU HG2 1381 1.656 34.382 2.188 4 U -2.286e+03 0.00e+00 - 0 1648 1647 1478 0 # 92 GLU HG2 1382 1.656 34.382 0.959 4 U -6.543e+02 0.00e+00 - 0 1648 1647 1686 0 # 92 GLU HG2 1383 1.656 34.382 0.791 3 U -4.959e+02 0.00e+00 - 0 1648 1647 1638 0 # 92 GLU HG2 1384 2.090 34.382 7.639 4 U -7.155e+02 0.00e+00 - 0 1646 1647 139 0 # 92 GLU HG3 1385 2.090 34.382 4.603 4 U -5.548e+02 0.00e+00 - 0 1646 1647 1368 0 # 92 GLU HG3 1386 2.090 34.382 3.237 3 U -5.136e+02 0.00e+00 - 0 1646 1647 1479 0 # 92 GLU HG3 1387 2.090 34.382 1.657 3 U -1.167e+04 0.00e+00 - 0 0 0 0 0 # 92 GLU HG3 1388 2.090 34.382 0.963 4 U -1.474e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU HG3 1389 2.090 34.382 0.793 3 U -8.019e+02 0.00e+00 - 0 1646 1647 1638 0 # 92 GLU HG3 1390 4.297 54.600 8.018 3 U 3.648e+03 0.00e+00 - 0 1367 1055 57 0 # 93 LEU HA 1391 4.297 54.600 7.350 3 U 1.493e+03 0.00e+00 - 0 1367 1055 147 0 # 93 LEU HA 1392 4.297 54.600 3.238 3 U 5.644e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1393 4.297 54.600 1.842 3 U 2.475e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1394 4.297 54.600 1.650 4 U 1.459e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1395 4.297 54.600 0.879 3 U 4.619e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1396 4.297 54.600 0.729 4 U 6.472e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1397 4.297 54.600 2.389 4 U 5.530e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HA 1398 1.571 41.952 7.993 3 U -5.945e+02 0.00e+00 - 0 1450 1056 57 0 # 93 LEU HB2 1399 1.571 41.952 7.338 3 U -9.639e+02 0.00e+00 - 0 1450 1056 147 0 # 93 LEU HB2 1400 1.571 41.952 4.286 3 U -1.610e+03 0.00e+00 - 0 1450 1056 1367 0 # 93 LEU HB2 1401 1.571 41.952 0.905 4 U -3.056e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HB2 1402 1.571 41.952 1.908 3 U -7.862e+03 0.00e+00 - 0 1450 1056 1477 0 # 93 LEU HB2 1403 1.903 41.952 7.338 3 U -1.564e+03 0.00e+00 - 0 1477 1056 147 0 # 93 LEU HB3 1404 1.903 41.952 4.291 3 U -9.085e+02 0.00e+00 - 0 1477 1056 1367 0 # 93 LEU HB3 1405 1.903 41.952 1.567 3 U -9.214e+03 0.00e+00 - 0 1477 1056 1450 0 # 93 LEU HB3 1406 1.903 41.952 0.931 3 U -2.121e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HB3 1407 1.803 26.433 7.337 3 U -1.727e+03 0.00e+00 - 0 1641 1640 147 0 # 93 LEU HG 1408 1.803 26.433 3.930 3 U -1.492e+03 0.00e+00 - 0 1641 1640 1742 0 # 93 LEU HG 1409 1.803 26.433 0.879 3 U -2.178e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HG 1410 0.877 24.185 9.571 4 U -5.803e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1411 0.877 24.185 8.020 3 U -1.638e+03 0.00e+00 - 0 1643 1642 57 0 # 93 LEU HD1 1412 0.877 24.185 7.333 3 U -8.844e+02 0.00e+00 - 0 1643 1642 147 0 # 93 LEU HD1 1413 0.877 24.185 4.300 3 U -6.893e+03 0.00e+00 - 0 1643 1642 1367 0 # 93 LEU HD1 1414 0.877 24.185 3.848 3 U -3.942e+03 0.00e+00 - 0 1643 1642 1348 0 # 93 LEU HD1 1415 0.877 24.185 1.914 4 U -5.607e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1416 0.877 24.185 1.795 3 U -1.086e+04 0.00e+00 - 0 1643 1642 1641 0 # 93 LEU HD1 1417 0.877 24.185 1.557 4 U -1.030e+04 0.00e+00 - 0 0 0 0 0 # 93 LEU HD1 1418 0.946 25.787 8.678 3 U -5.299e+02 0.00e+00 - 0 1645 1644 55 0 # 93 LEU HD2 1419 0.946 25.787 7.342 3 U -9.142e+02 0.00e+00 - 0 1645 1644 147 0 # 93 LEU HD2 1420 0.946 25.787 4.305 3 U -6.684e+02 0.00e+00 - 0 1645 1644 1367 0 # 93 LEU HD2 1421 0.946 25.787 3.925 4 U -3.241e+03 0.00e+00 - 0 1645 1644 1742 0 # 93 LEU HD2 1422 0.946 25.787 1.915 3 U -5.495e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD2 1423 0.946 25.787 1.805 3 U -3.897e+03 0.00e+00 - 0 1645 1644 1641 0 # 93 LEU HD2 1424 0.946 25.787 1.560 4 U -6.483e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU HD2 1425 4.388 55.521 8.673 3 U 1.688e+03 0.00e+00 - 0 1366 1266 101 0 # 94 ARG HA 1426 4.388 55.521 8.019 3 U 2.381e+03 0.00e+00 - 0 1366 1266 57 0 # 94 ARG HA 1427 4.388 55.521 3.243 4 U 1.807e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HA 1428 4.388 55.521 1.830 3 U 3.134e+03 0.00e+00 - 0 1366 1266 1476 0 # 94 ARG HA 1429 1.716 30.652 8.012 3 U -1.476e+03 0.00e+00 - 0 1449 1267 57 0 # 94 ARG HB2 1430 1.716 30.652 4.694 3 U -5.619e+02 0.00e+00 - 0 1449 1267 1316 0 # 94 ARG HB2 1431 1.716 30.652 4.394 3 U -1.369e+03 0.00e+00 - 0 1449 1267 1366 0 # 94 ARG HB2 1432 1.716 30.652 3.257 4 U -5.349e+02 0.00e+00 - 0 1449 1267 1652 0 # 94 ARG HB2 1433 1.716 30.652 3.112 3 U -5.803e+02 0.00e+00 - 0 1449 1267 1746 0 # 94 ARG HB2 1434 1.716 30.652 2.988 4 U -6.282e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG HB2 1435 1.832 30.652 8.015 3 U -1.826e+03 0.00e+00 - 0 1476 1267 57 0 # 94 ARG HB3 1436 1.832 30.652 4.381 3 U -1.558e+03 0.00e+00 - 0 1476 1267 1366 0 # 94 ARG HB3 1437 1.832 30.652 4.678 3 U -5.037e+02 0.00e+00 - 0 1476 1267 1316 0 # 94 ARG HB3 1438 1.832 30.652 3.247 3 U -4.462e+02 0.00e+00 - 0 1476 1267 1652 0 # 94 ARG HB3 1439 1.630 26.901 4.394 4 U -2.482e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HG 1440 1.630 26.901 3.245 3 U -1.257e+03 0.00e+00 - 0 1650 1649 1652 0 # 94 ARG HG 1441 1.630 26.901 3.114 3 U -2.643e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HG 1442 3.123 43.145 8.005 3 U -5.236e+02 0.00e+00 - 0 1746 1651 57 0 # 94 ARG HD2 1443 3.123 43.145 8.859 4 U -4.406e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG HD2 1444 3.123 43.145 4.394 3 U -1.089e+03 0.00e+00 - 0 1746 1651 1366 0 # 94 ARG HD2 1445 3.123 43.145 1.658 4 U -3.265e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HD2 1446 3.123 43.145 1.820 3 U -1.498e+03 0.00e+00 - 0 1746 1651 1476 0 # 94 ARG HD2 1447 3.237 43.145 4.396 3 U -1.048e+03 0.00e+00 - 0 1652 1651 1366 0 # 94 ARG HD3 1448 3.237 43.145 1.670 4 U -3.141e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG HD3 1449 3.237 43.145 1.840 3 U -1.365e+03 0.00e+00 - 0 1652 1651 1476 0 # 94 ARG HD3 1450 4.563 57.715 8.650 4 U 7.939e+02 0.00e+00 - 0 1356 1747 101 0 # 95 SER HA 1451 4.563 57.715 8.487 3 U 2.182e+03 0.00e+00 - 0 1356 1747 41 0 # 95 SER HA 1452 4.563 57.715 5.184 4 U 1.557e+03 0.00e+00 - 0 0 0 0 0 # 95 SER HA 1453 4.563 57.715 3.903 3 U 7.090e+03 0.00e+00 - 0 1356 1747 1417 0 # 95 SER HA 1454 3.901 63.533 8.508 3 U 5.480e+02 0.00e+00 - 0 1417 1748 41 0 # 95 SER HB 1455 3.901 63.533 8.374 3 U 5.161e+02 0.00e+00 - 0 1403 1705 155 0 # 95 SER HB 1456 4.698 54.154 8.519 4 U 1.642e+03 0.00e+00 - 0 0 0 0 0 # 96 ASP HA 1457 4.698 54.154 7.992 3 U 5.801e+03 0.00e+00 - 0 1357 904 19 0 # 96 ASP HA 1458 2.569 41.412 8.496 3 U -8.943e+02 0.00e+00 - 0 1445 905 41 0 # 96 ASP HB2 1459 2.569 41.412 8.013 4 U -5.846e+02 0.00e+00 - 0 1445 905 19 0 # 96 ASP HB2 1460 2.569 41.412 4.695 3 U -1.677e+03 0.00e+00 - 0 1445 905 1357 0 # 96 ASP HB2 1461 2.569 41.412 3.876 4 U -5.456e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP HB2 1462 2.770 41.412 8.509 3 U -7.306e+02 0.00e+00 - 0 1472 905 41 0 # 96 ASP HB3 1463 2.770 41.412 4.697 3 U -2.494e+03 0.00e+00 - 0 1472 905 1357 0 # 96 ASP HB3 1464 4.386 55.623 2.677 3 U 1.226e+03 0.00e+00 - 0 1751 872 1749 0 # 97 ASP HA 1465 4.386 55.623 2.568 3 U 1.889e+03 0.00e+00 - 0 1751 872 1750 0 # 97 ASP HA 1466 2.570 42.306 7.991 3 U -7.426e+02 0.00e+00 - 0 1750 873 19 0 # 97 ASP HB2 1467 2.570 42.306 4.382 3 U -1.456e+03 0.00e+00 - 0 1750 873 1751 0 # 97 ASP HB2 1468 2.677 42.306 9.375 4 U -5.172e+02 0.00e+00 - 0 0 0 0 0 # 97 ASP HB3 1469 2.677 42.306 7.994 3 U -6.794e+02 0.00e+00 - 0 1749 873 19 0 # 97 ASP HB3 1470 2.677 42.306 4.394 3 U -9.256e+02 0.00e+00 - 0 1749 873 1751 0 # 97 ASP HB3 1471 4.304 56.164 8.236 4 U 4.421e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 1472 4.304 56.164 7.282 4 U 5.018e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG HA 1473 4.602 53.930 0.713 3 U 8.532e+02 0.00e+00 - 0 1360 1033 1763 0 # 23 LEU HA 1474 1.139 43.204 9.443 3 U -5.448e+02 0.00e+00 - 0 1447 1034 95 0 # 23 LEU HB2 1475 1.139 43.204 1.563 3 U -8.510e+02 0.00e+00 - 0 1447 1034 1484 0 # 23 LEU HB2 1476 0.580 22.165 10.027 3 U -4.760e+02 0.00e+00 - 0 1668 1762 35 0 # 23 LEU HD1 1477 0.580 22.165 7.054 4 U -5.001e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU HD1 1478 0.580 22.165 4.605 3 U -4.272e+03 0.00e+00 - 0 1668 1762 1360 0 # 23 LEU HD1 1479 1.506 34.188 9.555 4 U -4.187e+02 0.00e+00 - 0 1446 984 3 0 # 24 ARG HB2 1480 1.808 34.188 3.304 3 U -4.654e+02 0.00e+00 - 0 1473 984 1489 0 # 24 ARG HB3 1481 1.808 34.188 1.614 3 U -1.817e+03 0.00e+00 - 0 1473 984 1486 0 # 24 ARG HB3 1482 1.455 26.445 8.811 4 U -4.122e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HG2 1483 1.455 26.445 4.753 4 U -5.711e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HG2 1484 1.612 26.445 3.822 3 U -5.803e+02 0.00e+00 - 0 1486 1485 1377 0 # 24 ARG HG3 1485 1.612 26.445 3.166 3 U -7.426e+02 0.00e+00 - 0 1486 1485 1490 0 # 24 ARG HG3 1486 3.168 41.889 0.958 4 U -5.058e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HD2 1487 3.302 41.889 1.778 4 U -4.817e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG HD3 1488 4.338 56.842 0.773 3 U 6.177e+02 0.00e+00 - 0 1314 920 1594 0 # 25 GLU HA 1489 1.933 30.696 0.663 3 U -4.931e+02 0.00e+00 - 0 1392 921 1595 0 # 25 GLU HB 1490 1.803 37.173 9.530 3 U -4.462e+02 0.00e+00 - 0 1671 1669 3 0 # 25 GLU HG2 1491 1.276 44.776 1.416 3 U -1.478e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB2 1492 1.719 44.776 0.869 3 U -1.528e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HB3 1493 1.423 26.910 1.730 3 U -2.368e+03 0.00e+00 - 0 1497 1498 1456 0 # 26 LEU HG 1494 0.731 27.326 9.546 3 U -4.317e+02 0.00e+00 - 0 1501 1502 3 0 # 26 LEU HD2 1495 0.731 27.326 9.409 4 U -4.654e+02 0.00e+00 - 0 1501 1502 95 0 # 26 LEU HD2 1496 0.731 27.326 6.515 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 26 LEU HD2 1497 0.731 27.326 4.367 3 U -4.067e+02 0.00e+00 - 0 1501 1502 1315 0 # 26 LEU HD2 1498 0.731 27.326 1.420 3 U -5.358e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU HD2 1499 0.716 27.675 8.082 4 U -4.047e+02 0.00e+00 - 0 1675 1674 105 0 # 27 LEU HD2 1500 0.716 27.675 1.271 3 U -1.229e+03 0.00e+00 - 0 1675 1674 1429 0 # 27 LEU HD2 1501 1.534 33.390 8.890 3 U -4.569e+02 0.00e+00 - 0 1430 1005 157 0 # 28 ARG HB2 1502 2.015 33.390 8.807 3 U -4.618e+02 0.00e+00 - 0 1457 1005 111 0 # 28 ARG HB3 1503 2.015 33.390 4.950 3 U -4.512e+02 0.00e+00 - 0 1457 1005 1372 0 # 28 ARG HB3 1504 2.015 33.390 2.897 4 U -4.519e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG HB3 1505 2.015 33.390 1.659 3 U -1.812e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG HB3 1506 5.122 51.942 4.752 3 U 7.979e+02 0.00e+00 - 0 1318 1680 1676 0 # 30 ASN HA 1507 5.122 51.942 1.560 4 U 8.895e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HA 1508 2.682 39.244 7.587 4 U -6.302e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB3 1509 2.682 39.244 0.950 4 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HB3 1510 2.559 41.641 1.570 3 U -5.200e+02 0.00e+00 - 0 1432 887 1433 0 # 31 ASP HB2 1511 2.559 41.641 1.824 4 U -4.469e+02 0.00e+00 - 0 0 0 0 0 # 31 ASP HB2 1512 1.073 22.464 4.042 3 U -5.888e+02 0.00e+00 - 0 1512 1514 1397 0 # 33 VAL HG2 1513 1.073 22.464 7.774 4 U -5.335e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL HG2 1514 4.202 57.066 7.389 4 U 6.572e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 1515 4.202 57.066 0.797 3 U 1.105e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU HA 1516 4.202 57.066 1.943 3 U 2.134e+03 0.00e+00 - 0 1322 890 1460 0 # 34 LEU HA 1517 1.571 40.767 8.328 3 U -4.142e+02 0.00e+00 - 0 1433 891 143 0 # 34 LEU HB2 1518 1.571 40.767 6.600 4 U -4.945e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HB2 1519 1.424 27.373 8.317 3 U -4.576e+02 0.00e+00 - 0 1515 1516 143 0 # 34 LEU HG 1520 1.424 27.373 8.851 3 U -4.711e+02 0.00e+00 - 0 1515 1516 119 0 # 34 LEU HG 1521 0.946 24.215 4.671 4 U -5.931e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HD1 1522 0.973 25.583 8.344 3 U -4.469e+02 0.00e+00 - 0 1686 1685 143 0 # 34 LEU HD2 1523 0.973 25.583 8.462 4 U -4.668e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU HD2 1524 1.560 26.695 4.391 3 U -7.256e+02 0.00e+00 - 0 1520 1519 1677 0 # 35 LEU HG 1525 0.738 24.653 8.113 3 U -4.753e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU HD 1526 3.907 47.661 3.063 4 U -5.902e+02 0.00e+00 - 0 1389 1107 1465 0 # 39 GLY HA3 1527 1.909 42.534 8.085 4 U -4.087e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU HB3 1528 0.849 23.979 3.398 3 U -6.624e+02 0.00e+00 - 0 1493 1494 1326 0 # 41 LEU HD1 1529 3.860 57.962 8.946 3 U 4.997e+02 0.00e+00 - 0 1329 1015 99 0 # 42 LEU HA 1530 3.860 57.962 7.289 3 U 4.841e+02 0.00e+00 - 0 1329 1015 53 0 # 42 LEU HA 1531 1.385 39.646 8.956 3 U -4.232e+02 0.00e+00 - 0 1435 1016 99 0 # 42 LEU HB2 1532 1.385 39.646 3.867 3 U -4.477e+02 0.00e+00 - 0 1435 1016 1329 0 # 42 LEU HB2 1533 0.580 22.165 4.815 4 U -1.156e+03 0.00e+00 - 0 1668 1762 1375 0 # 23 LEU HD1 1534 0.087 25.545 8.941 3 U -4.576e+02 0.00e+00 - 0 1533 1534 99 0 # 42 LEU HD2 1535 0.087 25.545 6.498 4 U -4.420e+02 0.00e+00 - 0 1533 1534 1899 0 # 42 LEU HD2 1536 4.566 50.751 8.283 4 U 9.762e+02 0.00e+00 - 0 1332 923 125 0 # 45 ALA HA 1537 1.454 20.842 4.319 3 U 8.613e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1538 1.454 20.842 4.101 4 U 6.077e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1539 1.454 20.842 0.115 4 U 4.862e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1540 1.454 20.842 0.556 4 U 9.492e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA HB 1541 2.650 39.630 3.848 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 46 ASP HB2 1542 1.661 38.757 9.245 4 U -4.576e+02 0.00e+00 - 0 1402 1031 121 0 # 47 ILE HB 1543 1.661 38.757 4.224 3 U -4.027e+02 0.00e+00 - 0 1402 1031 1334 0 # 47 ILE HB 1544 2.892 31.849 6.493 4 U -4.675e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS HB2 1545 1.389 46.321 8.648 3 U -4.484e+02 0.00e+00 - 0 1439 953 37 0 # 50 LEU HB2 1546 1.389 46.321 4.808 3 U -5.399e+02 0.00e+00 - 0 1439 953 1375 0 # 50 LEU HB2 1547 0.797 25.307 7.258 4 U -4.358e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU HD2 1548 0.797 25.307 8.605 4 U -4.287e+02 0.00e+00 - 0 1547 1546 37 0 # 50 LEU HD2 1549 5.033 61.051 4.860 3 U 2.151e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL HA 1550 0.837 24.005 8.869 3 U -4.774e+02 0.00e+00 - 0 1493 1494 119 0 # 52 LEU HD2 1551 0.837 24.005 8.338 3 U -4.902e+02 0.00e+00 - 0 1493 1494 117 0 # 52 LEU HD2 1552 2.635 41.614 0.900 4 U -4.895e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB2 1553 2.772 41.614 8.677 4 U -7.758e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB3 1554 2.772 41.614 -0.147 4 U -4.746e+02 0.00e+00 - 0 0 0 0 0 # 53 ASP HB3 1555 4.289 55.950 8.585 3 U 1.463e+03 0.00e+00 - 0 1358 956 103 0 # 54 GLN HA 1556 1.936 29.859 7.558 4 U -5.647e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HB2 1557 2.303 34.068 8.547 4 U -4.358e+02 0.00e+00 - 0 1560 1561 103 0 # 54 GLN HG 1558 3.896 63.655 1.614 4 U 1.137e+03 0.00e+00 - 0 1403 1705 1405 0 # 57 SER HB 1559 3.896 63.655 2.051 3 U 9.080e+02 0.00e+00 - 0 1403 1705 1420 0 # 57 SER HB 1560 0.915 17.910 8.507 4 U 4.635e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HG2 1561 0.874 13.478 8.237 4 U 5.104e+02 0.00e+00 - 0 1568 1567 27 0 # 58 ILE HD1 1562 0.874 13.478 8.376 4 U 4.507e+02 0.00e+00 - 0 1568 1567 61 0 # 58 ILE HD1 1563 0.874 13.478 4.632 4 U 4.933e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE HD1 1564 1.624 27.070 7.258 4 U -4.860e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU HG 1565 0.942 25.059 8.208 3 U -4.540e+02 0.00e+00 - 0 1574 1572 27 0 # 59 LEU HD1 1566 4.244 56.863 7.134 4 U 4.876e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HA 1567 2.002 29.900 4.410 4 U -4.704e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU HB2 1568 3.916 63.549 1.964 4 U 5.182e+02 0.00e+00 - 0 0 0 0 0 # 62 SER HB 1569 1.654 42.513 3.939 4 U -5.172e+02 0.00e+00 - 0 1408 902 1407 0 # 63 LEU HB2 1570 4.211 61.770 8.841 4 U 6.934e+02 0.00e+00 - 0 0 0 0 0 # 65 VAL HA 1571 1.845 38.956 4.014 3 U -4.167e+02 0.00e+00 - 0 1708 861 1723 0 # 66 ILE HB 1572 0.991 17.339 4.630 4 U 5.985e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HG2 1573 0.852 13.220 8.061 4 U 5.317e+02 0.00e+00 - 0 0 0 0 0 # 66 ILE HD1 1574 0.852 13.220 4.223 3 U 5.623e+02 0.00e+00 - 0 1715 1714 1362 0 # 66 ILE HD1 1575 4.311 62.615 8.996 4 U 5.402e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 1576 4.311 62.615 5.284 4 U 4.841e+02 0.00e+00 - 0 0 0 0 0 # 67 PRO HA 1577 1.998 27.573 2.952 3 U -4.966e+02 0.00e+00 - 0 1727 1726 1510 0 # 67 PRO HG3 1578 1.770 28.444 8.412 3 U -4.725e+02 0.00e+00 - 0 1752 1753 133 0 # 68 ARG HG2 1579 1.770 28.444 7.991 4 U -4.611e+02 0.00e+00 - 0 0 0 0 0 # 68 ARG HG2 1580 1.770 28.444 0.751 3 U -4.888e+02 0.00e+00 - 0 1752 1753 1523 0 # 68 ARG HG2 1581 1.887 28.444 7.980 4 U -5.491e+02 0.00e+00 - 0 1754 1753 71 0 # 68 ARG HG3 1582 3.106 43.630 7.983 4 U -4.952e+02 0.00e+00 - 0 1758 1755 71 0 # 68 ARG HD2 1583 3.106 43.630 4.638 3 U -6.744e+02 0.00e+00 - 0 1758 1755 1736 0 # 68 ARG HD2 1584 3.213 43.630 4.638 3 U -7.988e+02 0.00e+00 - 0 1757 1755 1736 0 # 68 ARG HD3 1585 4.942 54.372 8.420 3 U 6.452e+02 0.00e+00 - 0 1372 1716 133 0 # 69 ARG HA 1586 1.614 34.030 4.310 4 U -5.420e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG HB2 1587 2.400 35.979 2.977 3 U -6.463e+02 0.00e+00 - 0 1427 1090 1467 0 # 72 VAL HB 1588 3.090 31.130 8.101 4 U -4.845e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS HB3 1589 3.090 31.130 0.587 3 U -4.952e+02 0.00e+00 - 0 1426 895 1668 0 # 73 HIS HB3 1590 2.930 31.130 0.589 3 U -4.370e+02 0.00e+00 - 0 1601 895 1668 0 # 73 HIS HB2 1591 3.817 59.548 8.127 4 U 5.111e+02 0.00e+00 - 0 0 0 0 0 # 74 GLU HA 1592 1.869 29.352 2.159 3 U -4.135e+03 0.00e+00 - 0 1454 865 1603 0 # 74 GLU HB2 1593 2.178 35.167 1.502 4 U -4.569e+02 0.00e+00 - 0 1603 1602 1446 0 # 74 GLU HG 1594 4.578 56.834 1.864 3 U 4.990e+02 0.00e+00 - 0 1343 1740 1454 0 # 75 ASP HA 1595 4.578 56.834 2.016 3 U 5.381e+02 0.00e+00 - 0 1343 1740 1481 0 # 75 ASP HA 1596 2.784 43.650 10.025 3 U -4.469e+02 0.00e+00 - 0 1440 1068 35 0 # 76 ASP HB2 1597 2.784 43.650 0.851 4 U -4.512e+02 0.00e+00 - 0 1440 1068 1607 0 # 76 ASP HB2 1598 2.784 43.650 0.737 4 U -4.498e+02 0.00e+00 - 0 1440 1068 1600 0 # 76 ASP HB2 1599 2.992 43.650 0.688 3 U -4.207e+02 0.00e+00 - 0 1467 1068 1600 0 # 76 ASP HB3 1600 3.870 58.845 9.054 3 U 4.421e+02 0.00e+00 - 0 1345 908 73 0 # 77 LEU HA 1602 0.872 25.539 8.890 4 U -4.959e+02 0.00e+00 - 0 1607 1606 51 0 # 77 LEU HD1 1603 0.807 23.336 9.043 3 U -4.569e+02 0.00e+00 - 0 1608 1609 73 0 # 77 LEU HD2 1604 1.939 29.131 8.474 4 U -4.147e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG HG3 1605 1.720 26.896 8.438 4 U -3.831e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG HG 1606 1.303 21.049 8.665 3 U 5.779e+02 0.00e+00 - 0 1632 1633 55 0 # 85 THR HG2 1607 4.106 46.111 0.801 3 U -5.590e+02 0.00e+00 - 0 1383 1110 1638 0 # 88 GLY HA2 1608 4.292 46.111 1.687 4 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1609 4.292 46.111 6.518 4 U -5.860e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY HA3 1610 1.420 26.226 5.590 4 U -3.666e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU HG 1611 1.620 29.346 0.912 4 U -6.774e+02 0.00e+00 - 0 1451 1041 1686 0 # 92 GLU HB2 1612 0.790 13.474 8.842 3 U 1.135e+03 0.00e+00 - 0 1541 1540 25 0 # 47 ILE HD1 1613 0.790 13.474 8.371 4 U 4.058e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1614 0.790 13.474 8.264 3 U 8.824e+02 0.00e+00 - 0 1541 1540 125 0 # 47 ILE HD1 1615 0.790 13.474 4.573 4 U 6.864e+02 0.00e+00 - 0 1541 1540 1332 0 # 47 ILE HD1 1616 0.790 13.474 4.225 3 U 1.726e+03 0.00e+00 - 0 1541 1540 1334 0 # 47 ILE HD1 1617 0.790 13.474 4.114 3 U 7.417e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1618 0.790 13.474 3.983 3 U 4.415e+03 0.00e+00 - 0 1541 1540 1347 0 # 47 ILE HD1 1619 0.790 13.474 3.861 3 U 1.776e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1620 0.790 13.474 2.996 3 U 1.282e+03 0.00e+00 - 0 1541 1540 1467 0 # 47 ILE HD1 1621 0.790 13.474 2.785 3 U 4.556e+02 0.00e+00 - 0 1541 1540 1440 0 # 47 ILE HD1 1622 0.790 13.474 1.788 4 U 2.321e+03 0.00e+00 - 0 1541 1540 1414 0 # 47 ILE HD1 1623 0.790 13.474 1.667 3 U 1.266e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1624 0.790 13.474 1.478 4 U 8.783e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1625 0.790 13.474 1.909 4 U 6.794e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1626 0.790 13.474 2.017 4 U 6.311e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE HD1 1627 0.860 25.206 7.307 4 U -7.276e+02 0.00e+00 - 0 0 0 0 0 # 17 LEU HD2 1628 0.860 25.206 4.175 3 U -1.174e+03 0.00e+00 - 0 1856 1855 1379 0 # 17 LEU HD2 1629 1.444 26.222 7.518 4 U -4.746e+02 0.00e+00 - 0 1504 1505 179 0 # 27 LEU HG 1630 1.444 26.222 1.828 4 U -2.312e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU HG 1631 1.660 27.325 8.247 3 U -1.141e+03 0.00e+00 - 0 1537 1535 125 0 # 47 ILE HG12 1632 1.660 27.325 4.230 3 U -1.035e+03 0.00e+00 - 0 1537 1535 1334 0 # 47 ILE HG12 1633 1.660 27.325 0.801 3 U -5.149e+03 0.00e+00 - 0 1537 1535 1541 0 # 47 ILE HG12 1634 1.660 27.325 0.907 4 U -1.052e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE HG12 1635 0.886 27.325 8.237 3 U -5.775e+02 0.00e+00 - 0 1538 1535 125 0 # 47 ILE HG13 1636 0.886 27.325 4.246 3 U -1.032e+03 0.00e+00 - 0 1538 1535 1334 0 # 47 ILE HG13 1637 1.669 26.905 8.346 4 U -4.902e+02 0.00e+00 - 0 0 0 0 0 # 63 LEU HG 1638 1.484 26.647 7.393 3 U -4.668e+02 0.00e+00 - 0 1605 1604 43 0 # 77 LEU HG 1639 1.484 26.647 3.851 3 U -8.219e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU HG 1640 1.484 26.647 3.249 3 U -5.761e+02 0.00e+00 - 0 1605 1604 1614 0 # 77 LEU HG 1641 1.484 26.647 3.113 3 U -4.391e+02 0.00e+00 - 0 1605 1604 1615 0 # 77 LEU HG 1642 1.484 26.647 1.960 3 U -2.241e+03 0.00e+00 - 0 1605 1604 1468 0 # 77 LEU HG 1643 1.484 26.647 0.823 3 U -3.446e+03 0.00e+00 - 0 1605 1604 1608 0 # 77 LEU HG 1644 0.580 22.165 1.139 0 U -2.422e+03 0.00e+00 - 0 1668 1762 1447 0 # 23 LEU HD1 1645 4.338 56.842 7.545 0 U 5.082e+02 0.00e+00 - 0 1314 920 179 0 # 25 GLU HA 1646 4.338 56.842 1.508 0 U 4.254e+02 0.00e+00 - 0 1314 920 1592 0 # 25 GLU HA 1647 1.803 37.173 8.772 0 U -3.620e+02 0.00e+00 - 0 1671 1669 83 0 # 25 GLU HG2 1648 1.719 44.776 1.995 0 U -6.051e+02 0.00e+00 - 0 1456 851 1423 0 # 26 LEU HB3 1649 0.884 24.433 9.560 0 U -4.916e+02 0.00e+00 - 0 1499 1500 3 0 # 26 LEU HD1 1650 0.731 27.326 1.973 0 U -1.224e+03 0.00e+00 - 0 1501 1502 1423 0 # 26 LEU HD2 1651 1.444 26.222 4.332 0 U -4.187e+02 0.00e+00 - 0 1504 1505 1367 0 # 27 LEU HG 1652 0.716 27.684 2.222 0 U -7.617e+02 0.00e+00 - 0 1675 1674 1478 0 # 26 LEU HD2 1653 0.716 27.675 1.628 0 U -1.460e+03 0.00e+00 - 0 1675 1674 1451 0 # 26 LEU HD2 1654 0.920 19.071 8.749 0 U 5.061e+02 0.00e+00 - 0 1678 1679 83 0 # 29 THR HG2 1655 5.122 51.942 7.950 0 U 6.006e+02 0.00e+00 - 0 1318 1680 71 0 # 30 ASN HA 1656 1.535 19.373 3.715 0 U 7.547e+02 0.00e+00 - 0 1394 847 1321 0 # 32 ALA HB 1657 1.558 18.147 3.410 0 U 6.783e+02 0.00e+00 - 0 1398 869 1326 0 # 37 ALA HB 1658 1.525 18.269 2.743 0 U 4.890e+02 0.00e+00 - 0 1400 1310 1436 0 # 40 ALA HB 1659 1.704 25.912 0.716 0 U -6.523e+02 0.00e+00 - 0 1530 1529 1527 0 # 42 LEU HG 1660 1.704 25.912 0.842 0 U -4.441e+02 0.00e+00 - 0 1530 1529 1588 0 # 42 LEU HG 1661 4.547 57.290 8.046 0 U 6.141e+02 0.00e+00 - 0 1330 990 149 0 # 43 ASP HA 1662 4.333 55.263 7.310 0 U 4.471e+02 0.00e+00 - 0 1333 1059 53 0 # 46 ASP HA 1663 3.120 39.630 4.571 0 U -4.760e+02 0.00e+00 - 0 1464 1060 1332 0 # 46 ASP HA 1664 1.099 21.532 3.086 0 U -5.058e+02 0.00e+00 - 0 1549 1548 1758 0 # 51 VAL HG1 1665 1.188 27.342 4.231 0 U -1.349e+03 0.00e+00 - 0 1565 1562 1338 0 # 58 ILE HG13 1666 0.915 17.910 1.463 0 U 2.676e+03 0.00e+00 - 0 1566 1563 1564 0 # 58 ILE HG2 1667 2.042 32.172 7.963 0 U -4.583e+02 0.00e+00 - 0 1730 1729 71 0 # 67 PRO HB3 1668 0.759 21.540 3.739 0 U -6.383e+02 0.00e+00 - 0 1589 1590 1323 0 # 70 VAL HG2 1669 5.407 53.280 9.442 0 U 6.733e+02 0.00e+00 - 0 1376 853 95 0 # 71 LEU HA 1670 2.400 35.979 1.508 0 U -4.874e+02 0.00e+00 - 0 1427 1090 1411 0 # 72 VAL HB 1671 0.972 22.840 3.849 0 U -5.236e+02 0.00e+00 - 0 1598 1597 1345 0 # 72 VAL HG1 1672 0.704 19.290 2.977 0 U 4.720e+02 0.00e+00 - 0 1600 1599 1467 0 # 72 VAL HG1 1673 4.278 59.180 8.836 0 U 4.940e+02 0.00e+00 - 0 1374 894 199 0 # 73 HIS HA 1674 1.476 17.703 7.389 0 U 4.762e+02 0.00e+00 - 0 1410 949 43 0 # 78 ALA HB