NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.7896 0.0000 0.0000 62.9277 33.0569 174.9727 3 N 5.0229 9.1416 117.4608 51.3317 42.6455 172.1798 4 T 5.1388 9.1641 118.0282 61.9464 72.4506 172.8728 5 I 4.6361 8.9338 126.4685 59.6035 40.4064 174.9074 6 R 5.1068 8.3547 122.0288 54.6774 33.8896 174.6751 7 L 5.0306 8.9265 122.2891 53.3571 46.4337 174.9906 8 H 5.4060 8.6922 120.0970 54.8842 32.9731 172.6199 9 R 4.6346 8.8776 123.1061 54.5653 34.9695 173.8839 10 V 4.6594 8.2867 121.8529 61.2730 33.2962 174.7549 11 L 4.9147 8.9957 127.6716 52.2710 44.8808 177.3526 12 S 4.9744 8.9812 119.5054 56.6906 62.1665 174.1774 13 A 4.6750 7.2311 121.1024 48.8174 22.5945 175.4838 14 P 4.4369 0.0000 0.0000 62.2718 33.3420 175.8398 15 P 4.2945 0.0000 0.0000 66.0584 31.2227 178.6192 16 E 4.0060 8.1224 117.5804 59.1796 29.6964 178.7144 17 R 3.9574 7.9628 118.4713 59.2816 30.0386 178.4968 18 V 3.6069 7.5300 116.8076 66.0225 31.8478 176.8817 19 Y 4.3667 8.5305 119.7806 61.0154 38.6000 178.1695 20 R 3.9407 8.4675 119.2254 59.5647 29.9265 178.2777 21 A 4.1362 7.8372 119.2617 54.7402 18.4042 178.8466 22 F 4.6771 8.1440 114.5600 58.7653 39.3491 176.2261 23 L 4.6435 7.6480 116.0205 54.5209 44.1565 176.0949 24 D 4.5361 8.3480 120.1085 52.8541 41.7130 175.1209 25 P 4.2019 0.0000 0.0000 66.0560 29.7907 178.5513 26 L 4.0461 8.4978 118.4791 56.9589 41.3795 179.2749 27 A 4.1746 7.8851 120.4794 55.0644 18.8623 179.2166 28 L 3.2775 8.1884 117.5644 57.9482 41.4713 179.7985 29 A 3.9746 7.7838 119.3363 54.4468 18.2742 179.0111 30 K 4.1381 7.2585 117.5467 58.2363 32.9968 177.9643 31 W 4.6863 8.1800 116.1527 57.3891 28.8073 178.2683 32 L 3.0083 6.7556 121.3485 56.7598 41.5830 175.6472 33 P 3.0248 0.0000 0.0000 61.3036 31.7696 174.4468 34 P 4.4558 0.0000 0.0000 61.4523 32.4980 174.9480 35 E 4.0961 8.4238 118.0317 58.4506 29.6465 178.3050 36 G 3.8551 9.0591 110.5128 45.3035 0.0000 172.3480 37 F 5.4023 7.9401 117.5204 55.6301 41.9616 175.1581 38 V 4.6011 8.8832 114.6633 59.7214 35.3350 174.0228 39 C 5.5805 8.6447 121.8334 57.5873 34.1633 172.7515 40 K 4.5428 8.8258 126.9886 54.5964 33.9551 175.1134 41 V 3.9279 8.3192 127.5833 61.8300 31.9636 175.2556 42 L 4.1892 8.6375 129.0027 56.7112 42.2780 176.8135 43 E 4.6686 7.5847 118.3918 54.2630 33.1293 174.4136 44 H 5.2697 8.0449 120.1214 54.6121 28.0383 173.2131 45 D 4.5953 9.1082 121.7557 53.8616 41.3949 175.1724 46 A 4.2592 8.3087 128.8558 49.4858 16.2650 176.1105 47 R 4.3664 7.7231 115.9075 54.0937 32.3003 175.6276 48 V 3.8602 8.4089 119.1239 65.0274 31.5941 176.5423 49 G 4.0648 9.6612 116.3402 45.2720 0.0000 173.9852 50 G 4.1771 8.8000 107.6992 45.8361 0.0000 173.0942 51 A 4.8731 8.6216 124.1546 51.3916 20.5814 175.6159 52 Y 5.2017 8.8930 121.7590 55.6939 41.9904 174.3504 53 K 4.4372 8.4763 126.5873 54.9099 36.4671 174.1928 *55 E 4.3383 8.7033 123.7255 56.3097 31.5125 174.2401 56 F 5.8516 9.3158 121.1865 56.3508 41.5572 174.7274 57 L 5.5399 9.0535 122.1884 52.7213 45.2276 175.6998 58 A 3.7384 8.9680 126.2894 51.6104 18.6736 178.0704 59 F 4.0558 9.3739 126.6426 61.5100 39.5991 176.7553 60 A 3.9987 8.1491 120.7924 54.8944 18.3771 178.3375 61 S 4.2468 7.9212 108.0898 58.3665 63.9639 175.4297 62 G 3.7948 8.3822 108.4581 44.7939 0.0000 172.9930 63 Q 4.0126 7.7629 121.9185 56.4323 29.7502 175.7006 64 K 4.9771 8.5757 125.6652 56.0726 34.3165 176.7259 65 H 4.8410 9.2231 119.9051 54.7337 32.1166 172.2976 66 A 4.8721 8.6812 125.7433 51.1482 20.5803 175.6775 67 F 5.0765 7.5519 113.9491 56.2604 41.0477 172.9553 68 G 3.7481 8.2401 106.2101 46.3504 0.0000 171.8727 69 G 4.9763 7.7934 103.7265 46.7589 0.0000 172.5056 70 R 5.1842 8.2922 118.3336 54.4354 34.5035 174.7179 71 Y 4.5424 8.4739 120.6573 57.9984 38.3140 176.1773 72 L 4.3161 9.3833 125.5176 56.3498 43.2097 177.2210 73 E 4.7639 8.0422 118.3950 54.5649 33.4605 174.4259 74 L 5.0405 8.5980 125.5506 53.4687 45.4258 176.0957 75 V 4.2300 8.9683 125.4764 60.2599 33.9560 172.8984 76 P 2.9700 0.0000 0.0000 63.2964 31.3192 176.4067 77 G 3.9021 6.5581 109.7806 46.1832 0.0000 173.3188 78 E 4.6989 8.0447 117.5533 56.3117 34.4602 175.5896 79 R 5.1986 7.7218 116.9266 55.4039 33.8713 173.9211 80 I 5.2081 8.9067 125.6402 59.8172 42.0037 174.1498 81 R 5.0519 9.3860 126.8922 54.8658 33.1791 173.3567 82 Y 5.3831 8.2655 123.6613 55.5803 42.1560 174.5171 83 T 4.6934 8.7354 110.9268 61.1344 71.3401 173.0817 84 D 5.4294 8.3247 121.2370 53.0604 44.6995 174.5642 85 R 4.6794 8.7594 121.1434 55.0560 33.0758 174.1752 86 F 4.9175 8.8140 121.7120 56.9006 40.2050 176.3947 87 D 4.8598 8.7527 123.3871 53.6604 38.0617 175.3119 88 D 4.8318 7.9187 119.7906 51.8915 45.3679 175.6213 89 A 4.1281 8.4523 124.9919 53.2492 19.0107 178.4235 90 G 3.9968 8.8402 107.0446 45.8983 0.0000 174.1702 91 L 4.8639 7.2284 116.8404 52.5421 41.9562 174.5797 92 P 4.3568 0.0000 0.0000 65.3953 32.2279 178.4632 93 G 3.9437 7.8878 106.4388 44.9706 0.0000 172.6215 94 D 4.9717 8.0887 119.5793 52.2272 40.7000 175.3633 *96 I 3.9730 8.1141 110.2730 61.1128 39.5105 174.8905 97 T 5.0820 8.1914 120.8179 60.1071 70.6435 172.3127 98 T 5.0150 8.7177 118.5517 59.9393 71.6750 172.6392 99 I 4.8347 9.1064 127.4519 59.6233 39.6347 174.6703 100 T 5.0345 8.9518 117.0819 59.8292 71.7819 172.8899 101 L 5.7477 9.2099 124.3449 52.1070 45.6732 175.3306 102 A 4.9551 8.2338 122.1758 49.6188 22.8224 173.9404 103 P 4.9285 0.0000 0.0000 62.9661 32.7654 175.5778 104 L 4.7491 8.5166 119.5054 53.0924 45.9215 177.6110 105 S 4.1796 8.6867 116.0591 61.4175 63.3835 175.4320 106 C 4.3275 8.1691 115.0827 58.3645 31.2992 175.2949 107 G 4.4753 7.1309 113.9055 45.3077 0.0000 172.6131 108 A 5.0343 5.8049 119.9284 50.4135 24.5031 176.5437 109 D 5.0756 9.1891 120.6250 52.5111 43.4572 174.7993 110 L 5.2283 8.9946 128.5262 53.4107 44.8243 175.0552 111 S 5.2800 9.0032 121.4868 56.8123 66.6985 173.0554 112 I 5.0199 8.6801 124.5967 59.3240 40.9933 174.9142 113 V 4.6385 8.3677 124.9301 59.9869 34.6635 173.9451 114 Q 4.8953 9.3000 127.2350 54.1428 31.2943 173.8926 115 E 4.8178 8.4204 124.2838 54.1918 32.5855 176.3603 116 G 3.8549 8.8103 107.4399 45.6009 0.0000 173.4751 117 I 3.8517 7.7610 121.7419 60.0176 37.4237 174.0272 118 P 4.4975 0.0000 0.0000 62.9721 31.6635 177.1387 119 D 4.4325 8.9448 121.8109 57.1685 41.0156 178.8287 120 A 3.9258 7.9744 120.9581 54.3598 18.6235 177.3320 121 I 4.1275 7.7867 118.0578 59.1367 37.6151 173.9979 122 P 4.3500 0.0000 0.0000 62.0974 31.6886 175.1665 123 P 4.1979 0.0000 0.0000 65.7260 31.1946 178.0843 124 E 4.2910 8.3683 115.7252 59.8451 29.3702 178.9309 125 N 4.4361 8.5082 117.3840 56.2199 38.4655 177.2181 126 C 4.2424 7.9737 117.7770 62.8784 28.2739 175.5261 127 Y 4.3196 8.0166 118.3755 61.1444 37.5103 178.5400 128 L 4.1985 8.3036 119.9975 57.7847 41.7456 179.7030 129 G 3.5842 8.2354 105.4448 47.8867 0.0000 175.7063 130 W 4.2879 8.6012 122.4336 59.3728 29.0663 178.6427 131 Q 4.1926 8.9325 118.5206 59.1543 28.1648 179.0435 132 Q 4.0678 8.2469 119.0503 59.0842 28.7250 178.8385 133 S 4.6758 8.2420 117.5775 61.2642 62.9067 176.8174 134 L 4.1192 8.9969 122.0246 57.7088 41.3142 179.7601 135 K 4.0629 8.1090 118.2147 59.4988 31.9494 179.4757 136 Q 4.0681 8.1252 118.0498 58.6032 28.5669 178.3094 137 L 3.4806 8.2848 121.6143 57.9916 42.0028 178.8101 138 A 3.8799 7.9892 120.3500 55.2956 18.0854 179.5108 139 A 3.9390 7.6221 117.5323 54.8414 18.4211 179.4747 140 L 4.0712 7.4028 118.1753 58.2919 42.4381 179.1247 141 V 3.8315 7.6593 117.3635 64.2536 31.6745 177.8205 142 E 4.2185 8.1614 118.9172 57.6403 29.7169 175.9249 143 P 4.1860 0.0000 0.0000 63.7565 32.0907 175.5970 144 D 4.7716 8.6416 119.4028 54.8595 41.9637 173.5328 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 2 P 0.00 4.79 0.00 2.04 2.14 0.00 3.28 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 3 N 9.14 5.02 0.00 2.63 2.72 0.00 0.00 7.18 6.17 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 4 T 9.16 5.14 4.23 0.00 0.00 0.00 0.00 0.00 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 5 I 8.93 4.64 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.57 0.00 0.00 6 R 8.35 5.11 0.00 1.72 1.77 0.00 3.12 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 7 L 8.93 5.03 0.00 1.41 1.52 0.40 1.07 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 8 H 8.69 5.41 0.00 3.06 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.88 4.63 0.00 1.71 1.70 0.00 3.32 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 10 V 8.29 4.66 2.05 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 0.79 0.00 0.00 0.91 0.00 0.00 11 L 9.00 4.91 0.00 1.54 1.48 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.98 4.97 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.23 4.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.28 2.20 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 15 P 0.00 4.29 0.00 2.17 2.23 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 16 E 8.12 4.01 0.00 2.06 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 2.38 2.47 0.00 17 R 7.96 3.96 0.00 1.95 2.03 0.00 3.41 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 18 V 7.53 3.61 2.32 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 1.01 0.00 0.00 1.01 0.00 0.00 19 Y 8.53 4.37 0.00 3.23 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 20 R 8.47 3.94 0.00 2.27 2.16 0.00 3.21 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 21 A 7.84 4.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.14 4.68 0.00 3.21 3.17 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 23 L 7.65 4.64 0.00 1.47 1.51 0.29 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.35 4.54 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.16 2.01 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.74 0.00 26 L 8.50 4.05 0.00 1.73 1.77 0.93 0.66 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 27 A 7.89 4.17 1.52 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 0.00 0.00 28 L 8.19 3.28 0.00 1.61 1.56 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.78 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.26 4.14 0.00 1.91 2.05 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 31 W 8.18 4.69 0.00 3.64 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.76 3.01 0.00 1.13 1.51 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 3.02 0.00 2.09 1.70 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 34 P 0.00 4.46 0.00 2.37 2.08 0.00 2.57 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 35 E 8.42 4.10 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 36 G 9.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.94 5.40 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.88 4.60 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 0.75 0.00 0.00 1.14 0.00 0.00 39 C 8.64 5.58 0.00 3.11 2.96 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 40 K 8.83 4.54 0.00 1.78 1.64 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.33 7.81 41 V 8.32 3.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.84 0.00 0.00 42 L 8.64 4.19 0.00 1.62 1.59 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.58 4.67 0.00 1.90 1.63 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 2.21 2.22 0.00 44 H 8.04 5.27 0.00 3.21 3.29 0.00 5.77 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.11 4.60 0.00 2.85 2.92 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 46 A 8.31 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.72 4.37 0.00 1.96 1.98 0.00 3.01 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 48 V 8.41 3.86 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 0.90 0.00 0.00 0.97 0.00 0.00 49 G 9.66 4.06 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 0.00 0.00 0.00 50 G 8.80 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.62 4.87 1.36 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 52 Y 8.89 5.20 0.00 2.37 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.44 0.00 1.62 1.34 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 1.39 7.81 *55 E 8.70 4.34 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 56 F 9.32 5.85 0.00 3.06 2.87 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 57 L 9.05 5.54 0.00 1.77 1.63 1.10 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.97 3.74 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.06 0.00 2.90 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 A 8.15 4.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.92 4.25 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.76 4.01 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 64 K 8.58 4.98 0.00 1.67 1.73 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.60 7.81 65 H 9.22 4.84 0.00 3.37 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.68 4.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.55 5.08 0.00 2.60 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 0.00 0.00 0.00 0.00 68 G 8.24 3.75 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 0.00 0.00 0.00 69 G 7.79 4.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.29 5.18 0.00 1.68 1.80 0.00 3.52 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 71 Y 8.47 4.54 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.38 4.32 0.00 1.62 1.74 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.04 4.76 0.00 2.02 1.76 0.00 0.00 0.00 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 2.36 0.00 74 L 8.60 5.04 0.00 1.55 1.65 0.71 0.68 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 75 V 8.97 4.23 2.07 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 0.91 0.00 0.00 0.94 0.00 0.00 76 P 0.00 2.97 0.00 1.85 1.74 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 77 G 6.56 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.04 4.70 0.00 1.91 1.87 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 2.16 2.13 0.00 79 R 7.72 5.20 0.00 1.85 1.73 0.00 3.12 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 80 I 8.91 5.21 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 1.10 0.00 0.00 81 R 9.39 5.05 0.00 1.83 1.76 0.00 3.00 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 82 Y 8.27 5.38 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.74 4.69 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 1.20 0.00 0.00 84 D 8.32 5.43 0.00 2.79 2.51 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 0.00 85 R 8.76 4.68 0.00 1.92 1.97 0.00 2.82 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 86 F 8.81 4.92 0.00 3.00 3.17 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 87 D 8.75 4.86 0.00 2.62 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 88 D 7.92 4.83 0.00 2.69 2.51 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 0.00 89 A 8.45 4.13 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 90 G 8.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.23 4.86 0.00 1.85 1.63 1.01 1.01 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 92 P 0.00 4.36 0.00 2.19 2.19 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 93 G 7.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.09 4.97 0.00 2.89 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.97 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.85 0.00 0.00 97 T 8.19 5.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 98 T 8.72 5.01 4.18 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 0.00 0.00 0.00 1.12 0.00 0.00 99 I 9.11 4.83 1.58 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.31 0.32 0.00 0.00 100 T 8.95 5.03 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 101 L 9.21 5.75 0.00 1.70 1.58 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.23 4.96 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.93 0.00 2.08 2.05 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 104 L 8.52 4.75 0.00 1.70 1.53 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.69 4.18 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.17 4.33 0.00 3.13 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.13 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 5.80 5.03 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 9.19 5.08 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.99 5.23 0.00 1.78 1.64 0.91 0.76 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 0.00 111 S 9.00 5.28 0.00 3.74 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.68 5.02 1.49 0.00 0.00 0.79 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 0.64 0.24 0.00 0.00 113 V 8.37 4.64 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 114 Q 9.30 4.90 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 115 E 8.42 4.82 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 116 G 8.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.85 1.98 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 1.33 0.60 0.94 0.00 0.00 118 P 0.00 4.50 0.00 2.19 2.02 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 119 D 8.94 4.43 0.00 2.74 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 0.00 120 A 7.97 3.93 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.79 4.13 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.90 0.00 0.00 122 P 0.00 4.35 0.00 2.25 2.23 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 123 P 0.00 4.20 0.00 2.28 2.20 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 124 E 8.37 4.29 0.00 2.29 2.33 0.00 0.00 0.00 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 2.47 0.00 125 N 8.51 4.44 0.00 3.01 2.92 0.00 0.00 7.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.97 4.24 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.02 4.32 0.00 3.32 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.30 4.20 0.00 1.95 1.79 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.24 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.60 4.29 0.00 3.58 3.36 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 0.00 131 Q 8.93 4.19 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 132 Q 8.25 4.07 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 133 S 8.24 4.68 0.00 4.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 9.00 4.12 0.00 1.84 1.82 1.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.11 4.06 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 136 Q 8.13 4.07 0.00 2.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 137 L 8.28 3.48 0.00 0.81 1.53 -0.64 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.99 3.88 1.36 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 0.00 139 A 7.62 3.94 1.36 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 0.00 140 L 7.40 4.07 0.00 1.66 1.81 0.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.66 3.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 142 E 8.16 4.22 0.00 2.06 2.04 0.00 0.00 0.00 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 2.43 0.00 143 P 0.00 4.19 0.00 2.03 2.00 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 144 D 8.64 4.77 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.