NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3603 0.0000 0.0000 62.4943 31.7535 175.8557 7 I 4.4516 8.3251 125.1998 57.7850 39.0895 173.6702 8 L 4.8058 8.6607 128.9285 53.8945 44.2701 174.8137 9 K 4.9662 8.4615 119.0839 54.7933 34.9370 175.3905 10 V 4.2883 8.9327 127.4885 62.3860 33.9645 175.1356 11 D 4.3210 9.7772 127.7827 55.6968 38.4538 174.1681 12 D 4.2153 7.8355 115.1636 54.6352 39.0002 173.1980 13 Y 4.8288 7.9253 118.3195 55.9449 40.3220 175.1264 14 W 4.8297 9.1644 124.6888 56.6375 30.7042 175.3692 15 V 4.9975 9.3147 124.5933 61.1686 33.9762 174.3478 16 V 4.7077 9.3035 127.3783 61.0230 35.0737 173.6860 17 A 5.1383 8.6589 128.6496 50.2318 21.0043 175.4522 18 I 3.9506 8.6085 124.9185 60.4098 38.0016 176.0513 19 E 4.5025 8.4676 126.3695 54.1927 31.4191 175.6476 20 E 3.8759 8.5464 119.8218 57.3652 29.7893 177.0733 21 T 4.4995 8.1866 117.2194 60.6491 69.6233 173.5878 22 L 4.7133 7.8234 118.6755 53.9095 43.4045 175.7599 23 H 4.4356 7.5233 114.1703 54.2979 32.4170 174.2367 24 D 3.8558 8.1334 120.9387 55.8922 39.5029 178.4507 25 Q 4.0284 8.0132 118.3089 58.8566 28.2044 178.9135 26 S 4.2570 7.9191 117.2857 61.2890 63.1461 176.4976 27 V 4.0017 8.0508 122.0825 64.6633 31.2351 178.6940 28 I 3.8736 7.9634 120.3268 64.2560 37.1366 177.8173 29 Q 3.9903 7.9790 120.5846 59.0792 28.8403 178.2119 30 F 4.2322 8.3919 121.7386 61.0638 39.5102 176.9975 31 K 3.2033 7.9768 119.1786 59.4679 32.1252 178.5960 32 E 3.8671 8.3799 119.1737 59.3112 29.3495 179.0478 33 E 3.8624 8.2085 119.4479 58.9496 29.6307 178.3554 34 L 3.6220 7.8827 120.8012 58.1888 41.6645 178.8703 35 L 3.6869 7.6082 118.7238 58.0225 41.2813 179.2142 36 H 4.0375 7.6956 117.0198 59.1403 30.0798 176.9107 37 N 4.4127 7.8890 118.4893 56.2250 38.2635 177.3548 38 I 2.5817 7.0540 112.2915 62.2204 37.6838 177.0323 39 T 4.5019 7.0636 109.7804 62.1357 68.9922 174.8392 40 G 3.8056 8.0450 109.5478 45.6880 0.0000 173.9791 41 V 4.4313 7.3530 120.7767 58.1810 34.1087 175.7305 42 A 4.1808 8.6041 124.6644 52.6869 18.7647 177.2153 43 G 3.4300 8.3238 109.1571 43.4336 0.0000 172.8856 44 K 3.9482 8.1008 119.2789 56.1584 32.5948 176.9699 45 G 4.3568 6.8846 105.8376 46.4606 0.0000 171.3576 46 L 5.6723 8.7714 121.6763 53.5976 45.7334 174.9132 47 V 5.1237 9.5043 126.3797 60.0435 34.3179 174.5823 48 I 5.2007 8.7561 124.4750 59.5664 40.8100 173.6381 49 D 5.3346 9.5114 127.2439 52.0953 43.4306 176.4509 50 I 4.5987 8.4003 119.4675 60.5551 37.9324 177.8125 51 S 4.6869 8.6006 117.3593 61.2018 62.8447 175.4526 52 A 4.0409 7.8969 122.9491 54.1844 18.4041 177.1638 53 L 4.3044 7.6393 116.8444 54.0528 41.9489 176.6508 54 E 4.1859 8.8787 125.8688 57.9344 29.9956 176.9336 55 V 4.5108 7.4036 115.5177 59.7080 34.5253 174.7285 56 V 4.2671 8.1243 114.7547 59.5606 33.0468 176.2483 57 D 4.5782 8.4833 123.9941 53.9344 43.1026 176.5401 58 S 4.1701 8.7375 117.3889 61.3594 62.1217 176.4690 59 F 4.0246 8.5103 122.9604 61.3961 39.4082 177.2983 60 V 3.8035 8.0194 117.4268 66.0909 31.3577 177.5632 61 T 3.8979 8.0384 115.6871 67.1779 68.3189 176.7086 62 R 3.9844 7.8089 119.4728 58.8544 29.9459 179.3275 63 V 3.5053 7.5131 118.2341 66.0623 31.4458 178.1169 64 L 4.1048 8.1101 118.6455 57.7852 41.4214 179.5475 65 I 3.7566 7.8317 119.9235 64.2920 37.0269 178.3615 66 E 3.8749 8.3306 119.5431 59.4955 29.3841 179.2904 67 I 3.4722 7.8639 120.0621 64.5017 37.0174 178.3548 68 S 4.2429 8.2452 113.9357 61.5272 62.2132 176.2726 69 R 3.9477 7.9796 121.3827 59.3056 29.7523 178.4756 70 L 3.9592 8.4246 119.1140 57.6635 41.4927 179.3356 71 A 3.9250 8.4280 121.2232 54.8858 18.2247 179.3739 72 E 3.8702 8.0379 118.0183 59.5462 29.5660 179.1265 73 L 4.0924 7.6146 117.2690 57.1967 41.7504 178.5640 74 L 4.3661 8.0885 117.1374 53.9318 42.0177 176.7677 75 G 3.8736 7.7775 106.9961 46.4369 0.0000 173.2897 76 L 4.6558 8.4978 123.1265 52.2087 43.2933 174.3341 77 P 4.5044 0.0000 0.0000 63.4694 32.5949 175.2726 78 F 5.7434 8.8225 125.5163 56.8375 42.3792 173.6741 79 V 4.4194 9.0678 125.8965 59.6480 34.6063 174.0794 80 L 5.0538 8.2870 125.7078 53.6111 44.1535 175.1804 81 T 5.4569 8.0197 115.2622 59.2671 73.1674 173.7890 82 G 3.9227 8.2811 106.6561 46.6961 0.0000 173.3375 83 I 4.3623 7.7363 121.0912 59.4694 37.8767 176.7602 84 K 4.2802 8.3567 125.6140 55.8274 34.7043 175.8012 85 P 4.2206 0.0000 0.0000 65.9133 31.3326 178.6647 86 A 4.1457 7.8679 119.1254 55.1392 18.7273 179.7689 87 V 3.7475 7.7352 115.9988 63.9321 31.5214 178.0152 88 A 4.0607 7.9887 122.5179 54.8832 18.3387 179.4156 89 I 3.7957 7.6496 111.6511 63.9360 37.6758 178.4608 90 T 3.9943 7.7741 113.7244 64.9817 67.5621 175.4798 91 L 4.1641 7.8131 121.0504 58.2736 41.4698 179.8154 92 T 4.7148 7.3674 109.6543 64.1398 68.9491 177.1696 93 E 4.0897 7.8716 121.2712 55.8380 28.4464 177.9021 *95 G 3.7953 8.1191 105.3118 44.8028 0.0000 172.8133 96 L 4.3182 8.1850 123.6378 53.5527 41.5549 175.6076 97 D 4.8393 8.4271 126.5085 53.3128 39.7065 176.1678 98 L 4.1945 8.1075 125.3046 56.9411 42.3104 178.9389 99 R 4.0195 7.6083 116.0044 58.9954 30.2132 177.0629 100 G 3.7333 7.7401 105.8643 45.5425 0.0000 173.7578 *102 A 4.1895 7.8845 121.0615 51.6729 20.1131 176.9501 103 T 5.5923 8.7109 111.2960 59.3622 72.2492 173.0624 104 A 4.6220 8.1150 122.4798 50.3391 22.3836 176.7716 105 L 4.0322 8.6598 121.6500 58.3142 43.4497 176.2379 106 N 4.9669 7.5177 113.4701 51.0006 39.6900 174.0443 107 L 3.9244 8.5515 118.2529 58.6053 42.0288 179.1582 108 Q 3.9105 8.0715 119.1101 59.2120 29.0377 178.2324 109 K 4.0719 8.5389 119.6493 58.9708 31.9858 179.6611 110 G 3.5423 8.2368 106.5341 47.7718 0.0000 175.6022 111 L 3.7083 7.9280 122.3011 57.3563 41.6556 179.3525 112 D 4.2680 8.1192 118.7253 57.2174 40.6941 178.8903 113 K 3.8547 8.1146 120.1057 59.5153 32.0185 178.6396 114 L 4.0073 7.4846 117.7244 57.9813 41.7315 179.4621 115 K 4.2758 7.8792 119.5651 58.9860 31.7102 179.1744 116 N 4.3563 8.5026 117.2514 56.2771 38.2618 177.2352 117 L 4.1740 7.7556 118.2522 56.3676 41.7830 177.4264 118 A 4.6294 7.4265 121.0658 51.8515 19.0178 177.3176 119 R 4.2514 7.5827 123.6385 57.6218 30.4716 175.9912 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 P 0.00 4.36 0.00 2.09 2.14 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 7 I 8.33 4.45 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 1.00 0.00 0.00 8 L 8.66 4.81 0.00 1.77 1.88 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.46 4.97 0.00 1.74 1.67 0.00 0.74 0.00 0.00 1.19 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.25 7.81 10 V 8.93 4.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 11 D 9.78 4.32 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.84 4.22 0.00 2.55 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.93 4.83 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 9.16 4.83 0.00 3.51 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.31 5.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 16 V 9.30 4.71 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.17 0.00 0.00 17 A 8.66 5.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.61 3.95 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.43 0.78 0.00 0.00 19 E 8.47 4.50 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 20 E 8.55 3.88 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 21 T 8.19 4.50 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 L 7.82 4.71 0.00 1.59 1.53 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.52 4.44 0.00 3.01 3.07 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.13 3.86 0.00 1.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.01 4.03 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 26 S 7.92 4.26 0.00 3.89 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.05 4.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 1.25 0.00 0.00 28 I 7.96 3.87 1.99 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.26 0.98 0.00 0.00 29 Q 7.98 3.99 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 30 F 8.39 4.23 0.00 3.21 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.98 3.20 0.00 1.94 1.83 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.35 7.81 32 E 8.38 3.87 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 33 E 8.21 3.86 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 34 L 7.88 3.62 0.00 1.23 1.23 0.70 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.61 3.69 0.00 1.58 1.55 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.70 4.04 0.00 3.22 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.89 4.41 0.00 2.51 2.57 0.00 0.00 6.80 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.05 2.58 1.34 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.26 -0.26 0.00 0.00 39 T 7.06 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 40 G 8.05 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.35 4.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 42 A 8.60 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.32 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.10 3.95 0.00 0.79 1.16 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.02 7.81 45 G 6.88 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.77 5.67 0.00 2.04 1.86 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 V 9.50 5.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 48 I 8.76 5.20 2.25 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 1.08 0.00 0.00 49 D 9.51 5.33 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.40 4.60 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.96 0.00 0.00 51 S 8.60 4.69 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.90 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.64 4.30 0.00 1.79 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.88 4.19 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 55 V 7.40 4.51 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 56 V 8.12 4.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 57 D 8.48 4.58 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.74 4.17 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.51 4.02 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.02 3.80 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.07 0.00 0.00 61 T 8.04 3.90 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 62 R 7.81 3.98 0.00 1.71 1.89 0.00 3.07 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 63 V 7.51 3.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.84 0.00 0.00 64 L 8.11 4.10 0.00 2.00 1.85 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.83 3.76 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.91 0.00 0.00 66 E 8.33 3.87 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 67 I 7.86 3.47 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.34 0.26 0.00 0.00 68 S 8.25 4.24 0.00 4.42 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.98 3.95 0.00 2.11 2.08 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 70 L 8.42 3.96 0.00 1.70 1.59 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.43 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.04 3.87 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 73 L 7.61 4.09 0.00 1.79 1.70 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.09 4.37 0.00 1.77 1.71 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.78 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.50 4.66 0.00 1.67 1.75 1.17 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.50 0.00 2.31 2.11 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 78 F 8.82 5.74 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.07 4.42 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 80 L 8.29 5.05 0.00 1.37 1.35 1.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.02 5.46 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 G 8.28 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.74 4.36 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.91 0.00 0.00 84 K 8.36 4.28 0.00 1.98 1.93 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 85 P 0.00 4.22 0.00 2.04 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 86 A 7.87 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.74 3.75 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 88 A 7.99 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.65 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.59 0.91 0.00 0.00 90 T 7.77 3.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 91 L 7.81 4.16 0.00 1.92 1.73 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.37 4.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 93 E 7.87 4.09 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 *95 G 8.12 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.19 4.32 0.00 1.74 1.68 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.43 4.84 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.11 4.19 0.00 1.67 1.70 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.61 4.02 0.00 1.75 2.07 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 100 G 7.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 A 7.88 4.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.71 5.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 104 A 8.11 4.62 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.66 4.03 0.00 1.77 1.66 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.52 4.97 0.00 2.93 2.89 0.00 0.00 5.89 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.55 3.92 0.00 1.79 1.70 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.07 3.91 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 109 K 8.54 4.07 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.58 7.81 110 G 8.24 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.93 3.71 0.00 1.74 1.55 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.12 4.27 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.11 3.85 0.00 1.89 1.89 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 114 L 7.48 4.01 0.00 1.45 1.82 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.88 4.28 0.00 1.87 1.85 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.00 7.81 116 N 8.50 4.36 0.00 2.90 2.86 0.00 0.00 7.02 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.76 4.17 0.00 1.63 1.75 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.43 4.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.58 4.25 0.00 1.95 1.82 0.00 3.40 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.