NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3202 8.2644 123.5822 51.9480 19.9289 175.7789 3 K 4.2685 8.1623 119.6924 54.1192 34.8192 174.0654 4 L 4.3350 8.5107 127.3174 54.4716 42.7289 175.7824 5 T 4.3363 8.4161 114.4962 62.9385 70.1406 174.3778 6 S 4.5442 7.4470 113.1324 57.3434 65.5557 172.9663 7 A 4.6212 8.1772 122.0826 50.3433 21.8160 175.8047 8 V 4.1705 7.9808 119.4640 60.1825 33.6677 173.6738 9 P 4.3869 0.0000 0.0000 62.6754 32.7909 175.8935 10 V 4.6502 8.1361 122.4420 61.1080 32.9008 175.3247 11 L 4.4160 8.7572 129.1708 54.8152 42.9786 176.3492 12 T 5.2198 8.8863 110.4300 60.3857 72.4094 172.6790 13 A 4.5763 8.4076 122.3673 51.1852 22.4655 178.0657 14 R 4.1096 8.7601 119.5819 57.6926 30.7279 176.7358 15 D 4.7351 7.6635 116.6925 51.6654 42.3722 175.9749 16 V 3.5408 8.1310 126.1586 65.5455 31.7751 177.0823 17 A 3.9793 8.0041 120.0944 55.3287 18.2524 178.9931 18 E 3.8719 8.7151 117.5278 59.3320 29.6566 178.8894 19 A 4.1025 7.9941 120.7112 55.2012 18.4841 179.7135 20 V 3.5886 8.1512 117.1385 66.2183 31.5854 177.7881 21 E 3.9621 8.4197 119.0812 59.1428 29.4200 178.6410 22 F 3.9425 8.3356 120.5964 61.2379 39.5887 177.3491 23 W 3.6338 8.5549 118.6714 59.2479 28.6939 177.9071 24 T 4.9343 7.8430 111.1404 63.5493 68.7006 176.9168 25 D 4.3076 8.2062 122.6806 56.0974 41.3700 178.0902 26 R 3.8594 7.6507 118.3208 58.2217 30.1466 176.9697 27 L 3.8808 7.2191 113.5009 53.8927 42.2081 177.1546 28 G 4.0199 8.3821 107.0272 45.6925 0.0000 173.9168 29 F 4.6537 8.6017 118.5765 57.4128 40.4568 174.5075 30 S 5.1646 9.1763 116.6746 56.7005 65.7419 174.1260 31 R 4.2014 8.5980 122.1302 56.8645 29.9765 176.4931 32 V 4.2735 8.7947 124.8639 64.7257 32.5350 175.8913 33 F 5.0059 7.2528 112.5182 55.9564 40.8864 172.9971 34 V 4.5755 8.5310 119.7276 61.5193 34.1336 174.1907 35 E 4.8471 9.4125 129.1321 54.6628 32.9818 177.3261 *36 D 4.3578 8.9137 118.5118 55.9623 39.8203 175.4510 37 D 5.0419 7.9179 116.1188 52.5330 40.4141 174.6867 38 F 5.1941 7.9254 120.3965 57.7811 43.3530 172.5296 39 A 4.4989 8.0013 125.6503 50.5899 23.2524 175.1345 40 G 4.1678 7.5591 105.9248 44.3677 0.0000 172.4158 41 V 5.3297 8.8487 116.7091 59.4114 36.2949 175.0335 42 V 5.2119 9.1069 121.8239 60.3408 35.3419 174.2783 43 R 4.5892 8.7340 122.9781 54.7399 33.3514 174.1925 44 D 4.1141 8.8888 126.1586 56.1853 40.1052 174.3747 45 D 4.6810 8.9332 127.3973 55.0594 41.0491 175.5054 46 V 4.3574 7.9337 121.0327 61.3238 32.9500 174.1688 47 T 5.1518 8.4070 123.6087 61.9044 70.6490 173.8136 48 L 4.6892 8.8130 125.2600 52.9637 44.8637 176.1107 49 F 5.2781 8.6527 122.0156 56.6162 41.6686 174.8886 50 I 4.8202 8.1254 120.9850 59.6644 41.0225 174.4190 51 S 5.2548 8.9197 121.5113 56.0280 65.4589 172.9843 52 A 4.7658 8.8981 129.1124 52.3479 18.6841 177.0787 53 V 4.5166 8.6088 113.7687 59.9834 36.1476 176.6748 54 Q 4.1053 8.8309 120.3751 57.3541 29.5468 176.3439 55 D 4.9918 7.6580 117.1252 52.0295 43.4305 176.9602 56 Q 4.0324 8.6928 124.0172 59.0409 28.7535 178.8286 57 V 3.6519 7.8113 119.2549 64.7293 31.3286 178.2863 58 V 3.7185 7.8262 119.0576 65.3548 31.5212 176.1907 59 P 4.3913 0.0000 0.0000 65.4171 30.8589 177.4561 60 D 4.6315 7.9592 116.3899 55.6780 40.6639 176.4732 61 N 5.0387 8.0427 115.4607 52.8669 40.3155 173.6905 62 T 4.6967 7.9762 116.3110 62.3216 70.5340 173.9247 63 Q 5.6158 8.8007 122.5907 53.7392 33.4849 173.7980 64 A 4.8357 8.1670 120.0416 50.7518 22.7822 175.1009 65 W 4.7917 8.8022 119.0423 54.7327 32.3429 175.4802 66 V 4.3918 8.2412 122.9097 60.9224 34.1769 174.4324 67 W 5.1866 8.9607 127.5841 56.2825 30.4465 175.9190 68 V 4.6402 9.1982 122.8678 61.3746 34.8058 174.0449 69 R 4.5892 8.9279 126.3804 55.2109 31.6055 176.6368 70 G 3.7071 8.6390 112.5362 46.3933 0.0000 174.7177 71 L 4.0729 7.9758 121.8407 58.2316 42.4461 177.3036 72 D 4.3679 8.0956 118.3720 57.2845 40.7240 178.2301 73 E 3.8737 8.0693 119.4587 58.9979 29.7186 178.4323 74 L 3.4774 7.8547 120.4515 58.1171 41.9629 178.2586 75 Y 3.4084 8.2084 119.5384 60.4032 38.4278 177.9199 76 A 3.9945 7.9479 120.7389 54.9845 18.6738 178.8465 77 E 3.9470 8.1239 117.8763 59.4909 29.7862 179.2481 78 W 4.4337 7.9832 118.4647 59.3989 28.8509 178.7320 79 S 3.9942 7.7851 114.5770 60.9930 62.1751 176.0398 80 E 4.1361 7.7641 120.5360 58.5362 29.2211 177.8248 81 V 4.3977 7.6010 107.9637 60.2541 34.0650 175.3205 82 V 4.3505 7.3598 119.2181 60.2864 34.2316 174.9426 83 S 4.1734 8.6222 121.1631 59.2285 62.6860 174.1704 84 T 4.9785 8.3657 114.7964 60.8290 68.9263 174.8778 85 N 4.8011 7.9586 123.7099 52.1221 37.6500 174.8022 86 F 4.1426 8.4997 124.5844 60.6905 40.0224 176.6745 87 R 3.9468 8.0214 117.9016 58.1175 30.0689 175.9853 88 D 4.4113 7.5494 117.5426 53.2850 39.7069 175.2993 89 A 4.2051 8.2725 129.1243 52.3333 18.7121 178.5496 90 S 4.1062 8.2886 111.5353 60.0741 63.4055 173.6663 91 G 4.2140 7.0748 107.8937 44.2435 0.0000 170.9884 92 P 4.5933 0.0000 0.0000 63.1712 32.1195 175.2622 93 A 4.8005 8.2137 121.2310 51.8089 23.0827 174.8469 94 M 5.6945 9.0344 116.2285 53.8505 35.1378 175.4597 95 T 4.2747 8.7046 111.6263 61.1454 70.5253 173.6174 96 E 4.3167 8.3954 121.2753 54.9177 30.8672 176.9018 97 I 4.1327 7.4840 122.0869 61.5110 37.6973 176.0471 98 V 4.3222 8.9553 127.2375 61.0391 34.8328 174.6650 99 E 4.5719 8.6795 126.7826 55.4864 29.1599 176.2587 100 Q 3.9217 8.3596 124.2407 53.7239 29.8398 175.7765 101 P 4.1730 0.0000 0.0000 65.0870 31.3647 177.6531 102 W 4.6331 7.6595 112.5090 55.6515 29.1480 175.9615 103 G 4.0725 6.1339 109.3667 45.4145 0.0000 170.6512 104 R 4.9497 7.7281 120.0274 55.0916 31.4943 174.8154 105 E 5.3420 9.0589 123.1328 55.3707 33.4790 173.8807 106 F 5.5280 8.8162 115.3620 55.0999 41.6814 173.5842 107 A 5.1246 8.8973 121.2337 50.0474 22.0313 175.0468 108 L 5.3235 9.2123 123.3165 53.3451 45.6556 174.9798 109 R 5.7245 9.5593 127.4205 54.1907 31.9085 175.9670 110 D 4.3752 8.5020 126.0466 51.2074 41.0720 175.2766 111 P 3.9270 0.0000 0.0000 65.3355 31.2206 178.0546 112 A 3.9869 7.7435 119.7530 53.2306 18.6071 177.9104 113 G 4.0586 7.8694 102.1367 44.9992 0.0000 173.9641 114 N 4.7677 8.6156 118.3278 53.5344 40.1481 173.6975 115 C 5.1130 8.9483 123.2168 57.9090 33.7958 172.5200 116 V 4.5972 8.9573 127.8292 61.4583 33.4343 173.9567 117 H 4.7716 8.2279 125.8149 54.3199 30.7750 174.1956 118 F 4.7936 8.7031 121.7382 55.5898 41.4030 174.4375 119 V 4.9593 8.5783 124.2875 60.6175 34.1460 174.6234 120 A 4.8033 9.1095 130.3857 51.7720 18.8724 177.3241 121 E 4.2254 9.3089 124.8554 57.1665 30.4955 177.9971 *122 E 4.1863 8.6083 117.5914 56.2407 29.9654 176.1417 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 A 8.26 4.32 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 3 K 8.16 4.27 0.00 1.74 1.64 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.52 7.81 4 L 8.51 4.33 0.00 1.66 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.42 4.34 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 1.26 0.00 0.00 6 S 7.45 4.54 0.00 3.97 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 7 A 8.18 4.62 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 8 V 7.98 4.17 1.68 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 -0.25 0.00 0.00 0.68 0.00 0.00 9 P 0.00 4.39 0.00 1.99 1.91 0.00 3.63 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 2.04 2.06 0.00 10 V 8.14 4.65 2.17 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 0.93 0.00 0.00 1.18 0.00 0.00 11 L 8.76 4.42 0.00 1.42 1.57 0.24 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.89 5.22 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 1.23 0.00 0.00 13 A 8.41 4.58 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 14 R 8.76 4.11 0.00 1.80 1.99 0.00 3.19 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 15 D 7.66 4.74 0.00 2.64 2.50 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 0.00 0.00 0.00 0.00 16 V 8.13 3.54 2.21 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 1.04 0.00 0.00 0.92 0.00 0.00 17 A 8.00 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 18 E 8.72 3.87 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 19 A 7.99 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.59 2.22 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 0.99 0.00 0.00 0.92 0.00 0.00 21 E 8.42 3.96 0.00 2.30 2.15 0.00 0.00 0.00 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 2.19 0.00 22 F 8.34 3.94 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 23 W 8.55 3.63 0.00 3.36 2.94 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 24 T 7.84 4.93 4.30 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 1.37 0.00 0.00 25 D 8.21 4.31 0.00 2.80 2.73 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 26 R 7.65 3.86 0.00 1.30 0.91 0.00 3.38 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.19 0.00 27 L 7.22 3.88 0.00 1.42 1.05 -0.82 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.38 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.60 4.65 0.00 3.26 3.12 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 30 S 9.18 5.16 0.00 3.78 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 31 R 8.60 4.20 0.00 1.74 1.90 0.00 3.22 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 1.64 1.67 0.00 32 V 8.79 4.27 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 1.07 0.00 0.00 1.06 0.00 0.00 33 F 7.25 5.01 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.53 4.58 2.11 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 0.84 0.00 0.00 0.90 0.00 0.00 35 E 9.41 4.85 0.00 2.34 1.90 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 2.30 2.43 0.00 *36 D 8.91 4.36 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 5.04 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 38 F 7.93 5.19 0.00 3.24 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 39 A 8.00 4.50 0.97 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 0.00 0.00 0.00 0.00 0.00 40 G 7.56 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 0.00 0.00 0.00 0.00 41 V 8.85 5.33 2.25 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 0.75 0.00 0.00 0.64 0.00 0.00 42 V 9.11 5.21 2.20 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 0.91 0.00 0.00 1.04 0.00 0.00 43 R 8.73 4.59 0.00 0.69 0.66 0.00 3.08 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 44 D 8.89 4.11 0.00 2.82 1.83 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 45 D 8.93 4.68 0.00 2.70 2.73 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 46 V 7.93 4.36 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 1.25 0.00 0.00 1.05 0.00 0.00 47 T 8.41 5.15 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 48 L 8.81 4.69 0.00 1.07 1.07 -0.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.65 5.28 0.00 2.83 2.26 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 50 I 8.13 4.82 1.62 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.51 0.81 0.00 0.00 51 S 8.92 5.25 0.00 4.02 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.77 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 53 V 8.61 4.52 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 0.80 0.00 0.00 0.94 0.00 0.00 54 Q 8.83 4.11 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 55 D 7.66 4.99 0.00 2.67 2.54 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 56 Q 8.69 4.03 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 57 V 7.81 3.65 2.08 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 0.82 0.00 0.00 0.94 0.00 0.00 58 V 7.83 3.72 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 1.13 0.00 0.00 0.94 0.00 0.00 59 P 0.00 4.39 0.00 2.47 2.48 0.00 4.09 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 60 D 7.96 4.63 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 5.04 0.00 2.77 2.79 0.00 0.00 6.87 8.24 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 62 T 7.98 4.70 4.50 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 0.00 0.00 0.00 1.24 0.00 0.00 63 Q 8.80 5.62 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 64 A 8.17 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.80 4.79 0.00 2.98 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.24 4.39 1.48 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 1.28 0.00 0.00 0.76 0.00 0.00 67 W 8.96 5.19 0.00 3.32 3.19 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 0.00 0.00 0.00 0.00 68 V 9.20 4.64 2.24 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 1.15 0.00 0.00 1.22 0.00 0.00 69 R 8.93 4.59 0.00 1.77 1.88 0.00 3.30 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 70 G 8.64 3.71 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 0.00 0.00 0.00 71 L 7.98 4.07 0.00 1.88 1.77 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.10 4.37 0.00 2.77 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 73 E 8.07 3.87 0.00 2.00 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 0.00 2.30 2.32 0.00 74 L 7.85 3.48 0.00 1.58 1.69 -0.17 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.21 3.41 0.00 2.86 2.94 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 76 A 7.95 3.99 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 77 E 8.12 3.95 0.00 1.87 1.78 0.00 0.00 0.00 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 2.33 0.00 78 W 7.98 4.43 0.00 3.13 2.84 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 0.00 0.00 0.00 79 S 7.79 3.99 0.00 3.76 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 80 E 7.76 4.14 0.00 2.02 1.98 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 2.31 2.48 0.00 81 V 7.60 4.40 1.98 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 0.62 0.00 0.00 0.88 0.00 0.00 82 V 7.36 4.35 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 0.80 0.00 0.00 0.72 0.00 0.00 83 S 8.62 4.17 0.00 3.87 3.88 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 84 T 8.37 4.98 4.33 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 0.00 0.00 1.18 0.00 0.00 85 N 7.96 4.80 0.00 2.83 2.74 0.00 0.00 6.86 7.30 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 86 F 8.50 4.14 0.00 3.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.95 0.00 2.15 2.01 0.00 3.37 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 88 D 7.55 4.41 0.00 2.56 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 89 A 8.27 4.21 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 90 S 8.29 4.11 0.00 3.96 3.95 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 91 G 7.07 4.21 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 0.00 92 P 0.00 4.59 0.00 1.94 1.56 0.00 3.69 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 93 A 8.21 4.80 1.26 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 0.00 0.00 94 M 9.03 5.69 0.00 2.22 2.46 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 95 T 8.70 4.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 96 E 8.40 4.32 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 97 I 7.48 4.13 1.63 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.15 0.89 0.00 0.00 98 V 8.96 4.32 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 0.90 0.00 0.00 0.95 0.00 0.00 99 E 8.68 4.57 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 100 Q 8.36 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.74 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 101 P 0.00 4.17 0.00 2.20 2.17 0.00 3.04 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 102 W 7.66 4.63 0.00 3.45 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.13 4.07 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 0.00 104 R 7.73 4.95 0.00 1.91 1.85 0.00 3.20 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 105 E 9.06 5.34 0.00 2.21 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 0.00 2.28 2.34 0.00 106 F 8.82 5.53 0.00 3.38 3.14 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 0.00 0.00 0.00 0.00 107 A 8.90 5.12 0.89 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 0.00 0.00 0.00 0.00 0.00 108 L 9.21 5.32 0.00 2.14 1.89 0.69 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 109 R 9.56 5.72 0.00 1.96 1.66 0.00 3.01 0.00 0.00 3.02 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 110 D 8.50 4.38 0.00 2.28 2.76 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 0.00 0.00 0.00 111 P 0.00 3.93 0.00 1.81 1.92 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.00 112 A 7.74 3.99 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 0.00 113 G 7.87 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 0.00 114 N 8.62 4.77 0.00 3.03 2.79 0.00 0.00 6.42 7.54 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 0.00 115 C 8.95 5.11 0.00 3.06 2.81 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 0.00 116 V 8.96 4.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.08 0.00 0.00 117 H 8.23 4.77 0.00 1.40 2.47 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.70 4.79 0.00 1.53 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.96 1.35 0.00 0.00 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 0.99 0.00 0.00 120 A 9.11 4.80 1.33 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 0.00 0.00 0.00 0.00 0.00 121 E 9.31 4.23 0.00 1.94 1.90 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 2.29 2.45 0.00 *122 E 8.61 4.19 0.00 1.99 1.71 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 2.21 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.