NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.3313 8.2845 120.7665 53.7944 42.0619 176.8978 13 P 4.8843 0.0000 0.0000 61.2594 33.2019 170.9284 14 Q 4.2587 8.2842 123.4534 58.5117 28.2927 179.0441 15 K 4.6330 8.3188 126.2257 61.1198 32.1014 181.5218 16 Q 4.3659 8.1943 122.8540 60.4419 27.9784 181.8210 17 I 4.0369 9.2832 123.6097 65.9848 35.6055 182.1645 18 Q 4.2360 8.3033 124.9555 60.9197 27.7714 181.9942 19 E 4.2330 8.1121 121.6110 61.8310 29.8262 181.1927 20 M 4.2078 7.7955 124.5521 60.9269 31.3285 180.7872 21 K 4.2976 8.6007 127.6800 59.7362 31.7682 181.0665 22 E 4.2413 8.4009 118.6429 61.5104 29.6240 181.5021 23 A 4.2461 8.7034 123.3361 55.6323 18.5794 180.0674 *24 F 3.9762 9.1383 121.3970 62.8705 37.7482 181.0640 25 S 4.3539 8.3347 120.0233 64.5232 62.2997 179.9952 26 M 4.4971 7.7908 124.9721 59.8620 31.0955 181.0956 27 I 4.3125 8.0355 122.2491 65.2161 37.0917 181.8178 28 D 5.0134 8.2100 126.8968 54.9864 36.3132 178.6505 29 V 3.9264 7.9221 125.8407 64.5726 32.6535 181.3517 30 D 4.5631 8.4615 119.1359 55.6144 38.9283 180.4265 31 R 4.0370 8.7702 119.7252 59.2666 26.6663 179.8146 32 D 4.7707 7.9612 119.5651 53.2675 39.9941 179.9046 33 G 4.3787 8.5187 108.0796 47.6990 0.0000 174.3195 *34 F 5.2873 7.6128 119.6227 55.2619 42.4647 178.6267 35 V 4.4375 8.5392 121.1534 60.8472 33.5693 176.9147 36 S 4.8530 8.6126 125.8501 55.9441 66.1900 172.1662 37 K 3.8155 9.0143 126.5957 61.8102 31.0960 180.5362 38 E 4.3994 8.2769 120.1343 61.1894 29.8408 182.1325 39 D 4.6076 8.7900 123.5198 59.5334 39.9403 182.9637 40 I 3.9547 7.8662 123.9405 65.3535 35.5198 180.3559 41 K 4.0574 8.0334 124.8806 60.5875 31.4132 180.0305 42 A 4.1227 8.4785 123.0632 56.7539 17.8055 180.0810 43 I 3.7341 7.9605 121.5100 65.5808 36.1833 180.8673 44 S 4.4676 8.3958 122.3148 64.3645 61.8138 179.2626 45 E 4.2828 8.1374 123.5563 61.9096 29.5809 181.9280 46 Q 4.5062 7.8351 121.5444 59.6193 28.2129 179.1769 47 L 4.7077 8.7963 115.6432 53.9976 44.2314 183.3799 48 G 4.2179 8.0933 109.6128 43.5120 0.0000 173.1363 49 R 3.8939 8.3790 116.6437 56.6115 29.6010 173.4987 50 A 4.8195 8.2179 124.4400 49.8381 21.7906 175.4686 51 P 4.4536 0.0000 0.0000 62.4930 31.6487 177.6541 52 D 4.7312 8.5466 120.1370 53.5034 41.0802 178.9385 53 D 4.5879 8.9521 123.6076 60.3238 39.6742 181.0542 54 K 4.1737 8.3087 127.1784 60.2629 31.6886 181.3702 55 E 4.2256 8.4803 121.8028 61.7306 29.2129 182.0366 56 L 4.3224 8.0140 125.8162 60.4145 40.9518 181.2429 57 T 4.1254 8.7156 115.5056 66.0000 68.1529 178.3987 58 A 4.3291 8.4476 125.6198 55.2949 18.2975 180.1515 59 M 4.1313 7.8876 120.6016 59.5503 31.5994 183.8832 60 L 4.6559 7.5616 122.6808 59.3908 41.6713 183.5658 61 K 3.9112 8.1382 125.7920 59.6143 31.6950 180.5203 62 E 4.6517 7.5783 115.1635 59.0636 29.8278 181.8798 63 A 4.7006 8.1791 123.6881 51.9308 20.0476 175.5898 64 P 4.0842 0.0000 0.0000 65.1125 31.5414 173.6200 65 G 4.2791 7.2368 108.0472 43.2635 0.0000 170.1457 66 P 4.0590 0.0000 0.0000 60.9578 32.3635 173.8276 67 L 4.4405 8.3317 124.8725 53.5184 39.6827 176.6675 68 N 5.1010 7.9224 125.5135 51.5773 38.9432 177.4257 *69 F 4.2818 8.6438 114.9944 60.5427 38.1662 176.4469 70 T 4.3257 7.9412 118.8787 67.3619 68.8712 182.6564 71 M 4.4901 8.0362 124.7992 59.9662 31.3680 180.2956 *72 F 4.4991 8.2357 122.3937 62.2577 38.2535 183.0354 73 L 4.3260 8.1847 123.9535 60.0921 40.8374 182.8084 74 S 4.3612 8.2257 119.7240 64.6455 62.1474 181.9041 75 I 4.0813 7.5756 124.8391 65.2900 35.5061 180.7435 *76 F 4.4807 8.2466 124.0911 62.7640 37.6471 181.5239 77 S 4.5127 8.0645 120.9274 63.5139 62.2083 178.0087 78 D 4.9028 8.0711 123.4835 57.2660 39.8236 181.3833 79 K 4.6025 7.9023 126.3584 60.2821 31.9304 184.5325 80 L 4.3966 7.6994 117.6095 55.4426 40.5911 179.4152 81 S 4.7718 8.3075 116.4168 58.6742 64.2310 178.5757 82 G 4.0434 9.4466 115.4760 46.4513 0.0000 174.1714 83 T 4.6113 7.5045 110.9417 59.2534 72.5880 176.2659 84 D 4.7732 8.5463 126.0666 52.1480 41.4118 176.4567 85 S 4.5827 8.3143 120.1462 61.6664 64.3026 176.0411 86 E 4.4255 8.7514 121.6086 61.9774 29.4202 179.8499 87 E 4.3821 8.1377 118.8845 62.2327 30.1312 184.4347 88 T 4.1740 7.8822 117.6827 66.2757 68.3875 178.8989 89 I 4.1576 7.9492 124.7113 65.4858 35.9372 181.6420 90 R 4.2585 7.9821 124.5390 61.2538 29.1858 180.8955 91 N 4.6756 7.8880 117.2848 57.4093 37.9368 182.2981 92 A 4.3699 7.7099 124.4183 54.7930 18.5217 179.8982 *93 F 4.3081 7.7217 119.1267 61.3136 38.7447 183.1871 94 A 4.4256 7.8659 122.3800 54.3338 17.9337 179.1126 95 M 4.4936 7.8503 120.0476 58.1132 31.6403 182.6147 *96 F 4.9189 8.3281 116.9750 57.7668 40.7696 181.2262 97 D 4.9991 7.6888 122.6203 55.5613 39.3678 182.6739 98 E 3.9997 7.7320 121.3007 60.4191 30.6694 181.5553 99 Q 4.0322 8.0923 120.2007 56.2284 28.9543 178.5739 100 E 3.8173 8.7494 114.9788 58.7643 26.7595 180.7515 101 T 4.3381 7.7292 113.1389 60.4455 70.9583 176.7152 102 K 3.8545 8.3608 121.4815 55.8652 28.3603 181.6872 103 K 4.5009 7.1976 122.1234 55.5889 35.6349 177.8956 104 L 4.8992 8.1615 126.3477 53.4092 45.1063 176.2911 105 N 4.7447 8.9519 124.0152 53.2448 38.3856 176.0493 106 I 3.6989 8.8503 129.3250 65.1691 35.6108 175.0122 107 E 4.3132 8.3291 122.2652 61.9219 29.5095 180.5729 *108 Y 4.2403 8.3817 124.2065 62.3210 36.9151 181.4144 109 I 3.9638 7.8322 123.0399 65.8465 35.6831 180.7979 110 K 4.1661 8.0880 127.9841 60.5178 31.5191 181.3194 111 D 4.6344 8.1595 124.5584 58.9253 39.6016 180.8265 112 L 4.2472 8.3178 126.9780 60.0391 40.9007 181.7157 113 L 4.3013 8.2282 125.1667 59.9363 40.6936 181.8984 114 E 4.3388 8.1928 120.6076 60.8885 29.8820 181.4119 115 N 5.3433 8.1463 117.5993 52.1420 39.1552 176.8617 116 M 4.8986 7.7989 117.0412 54.6940 36.8076 176.3228 117 G 3.9701 9.0960 116.5497 46.2113 0.0000 177.2174 118 D 4.7231 8.8084 120.8994 50.9595 38.8249 175.5832 119 N 4.2997 8.1665 123.6304 52.9180 38.5781 175.9042 *120 F 4.6227 8.5595 126.4989 56.4915 40.6882 172.3475 121 N 5.1241 8.5531 114.9625 52.6968 42.0511 172.2523 122 K 3.9176 8.9942 124.0009 61.9560 31.4915 179.2638 123 D 4.6806 8.1444 124.2960 58.9844 39.9296 180.6172 124 E 4.1036 8.3609 122.2571 61.8566 29.7343 181.5004 125 M 4.3685 8.8050 124.2745 60.2404 31.4723 181.6958 126 R 4.2141 8.8323 125.4518 62.1051 29.4870 181.0202 127 M 4.3418 8.7248 123.8635 60.6099 31.1554 180.9688 128 T 4.3273 8.1794 117.9215 66.2850 68.1904 178.6230 *129 F 4.7601 8.0874 123.9128 59.9591 38.1333 180.1974 130 K 4.4841 8.2197 124.5784 60.5578 31.4688 184.2156 131 E 4.5854 7.4579 116.3353 59.6077 31.1463 180.4079 132 A 3.9062 6.9531 121.6959 51.0537 19.8421 177.2807 133 P 4.5182 0.0000 0.0000 61.1061 29.4859 173.5416 134 V 4.3162 7.5719 120.0819 59.7724 32.8213 178.2597 135 E 4.4383 8.7302 122.0294 57.7763 31.4517 170.8652 136 G 4.1944 9.5624 114.8304 44.7936 0.0000 172.3130 137 G 4.0677 8.9355 113.1493 45.1934 0.0000 174.5800 138 K 4.8301 7.8345 125.6368 54.7734 33.7481 180.1967 *139 F 4.4562 9.6705 130.1431 55.4757 38.7128 171.9554 140 D 4.4508 8.5122 128.4792 54.3887 39.6735 175.1170 *141 Y 4.3030 8.6427 128.8232 60.8206 37.4165 175.3651 142 V 4.1029 7.9028 122.5285 66.2528 31.9437 184.0000 143 K 4.0964 8.1603 125.2404 60.8009 31.7247 181.5448 *144 F 4.5079 8.1131 122.8396 62.0135 37.7763 181.0003 145 T 4.2390 8.3123 112.3430 66.2115 68.5005 181.3245 146 A 4.3370 8.1038 125.0214 55.8139 18.3481 179.7357 147 M 3.9459 8.1068 120.4113 60.9110 31.5775 181.6281 148 I 4.2278 7.7904 121.5953 63.4228 36.1219 179.7257 149 K 4.9303 8.8256 120.1513 56.8925 32.3755 181.4936 150 G 3.9598 8.8644 108.8974 47.3278 0.0000 172.7159 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 12 L 8.28 4.33 0.00 1.68 1.35 0.92 0.44 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 13 P 0.00 4.88 0.00 2.11 1.79 0.00 3.71 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 1.81 1.65 0.00 14 Q 8.28 4.26 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.71 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 15 K 8.32 4.63 0.00 1.75 1.90 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.12 7.81 16 Q 8.19 4.37 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 17 I 9.28 4.04 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 1.38 0.54 0.91 0.00 0.00 18 Q 8.30 4.24 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.04 0.00 19 E 8.11 4.23 0.00 2.00 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 2.24 2.19 0.00 20 M 7.80 4.21 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 21 K 8.60 4.30 0.00 1.74 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 22 E 8.40 4.24 0.00 1.91 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 2.26 2.24 0.00 23 A 8.70 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 3.98 0.00 2.26 2.36 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 25 S 8.33 4.35 0.00 3.66 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 26 M 7.79 4.50 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 27 I 8.04 4.31 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 1.38 1.10 0.91 0.00 0.00 28 D 8.21 5.01 0.00 2.72 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 29 V 7.92 3.93 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 0.67 0.00 0.00 0.93 0.00 0.00 30 D 8.46 4.56 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 31 R 8.77 4.04 0.00 1.91 2.19 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 32 D 7.96 4.77 0.00 2.63 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 33 G 8.52 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 5.29 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.54 4.44 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 0.88 0.00 0.00 0.93 0.00 0.00 36 S 8.61 4.85 0.00 3.37 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 37 K 9.01 3.82 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 38 E 8.28 4.40 0.00 1.97 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 1.94 0.00 39 D 8.79 4.61 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.95 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 1.50 0.54 0.91 0.00 0.00 41 K 8.03 4.06 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 42 A 8.48 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.73 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 1.38 0.73 0.91 0.00 0.00 44 S 8.40 4.47 0.00 3.73 3.89 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 45 E 8.14 4.28 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 2.22 0.00 46 Q 7.84 4.51 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 47 L 8.80 4.71 0.00 1.56 1.34 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.09 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 0.00 0.00 0.00 49 R 8.38 3.89 0.00 1.84 1.77 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 50 A 8.22 4.82 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 51 P 0.00 4.45 0.00 2.10 1.85 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 52 D 8.55 4.73 0.00 2.60 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 53 D 8.95 4.59 0.00 2.67 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 54 K 8.31 4.17 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 55 E 8.48 4.23 0.00 1.96 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 2.24 2.19 0.00 56 L 8.01 4.32 0.00 1.64 1.71 0.92 0.76 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 57 T 8.72 4.13 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 1.21 0.00 0.00 58 A 8.45 4.33 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 59 M 7.89 4.13 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 60 L 7.56 4.66 0.00 1.67 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.14 3.91 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.35 7.81 62 E 7.58 4.65 0.00 1.98 1.88 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 2.26 2.19 0.00 63 A 8.18 4.70 1.23 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 0.00 0.00 0.00 64 P 0.00 4.08 0.00 2.11 1.92 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 65 G 7.24 4.28 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 0.00 66 P 0.00 4.06 0.00 2.11 1.82 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 67 L 8.33 4.44 0.00 1.56 1.60 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.92 5.10 0.00 2.64 2.74 0.00 0.00 6.87 8.12 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 *69 F 8.64 4.28 0.00 2.20 2.31 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 70 T 7.94 4.33 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 1.21 0.00 0.00 71 M 8.04 4.49 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.18 0.00 *72 F 8.24 4.50 0.00 2.28 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 0.00 0.00 0.00 0.00 73 L 8.18 4.33 0.00 1.69 1.74 0.92 0.99 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 74 S 8.23 4.36 0.00 3.74 3.89 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 75 I 7.58 4.08 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 1.38 1.10 0.91 0.00 0.00 *76 F 8.25 4.48 0.00 2.30 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 0.00 0.00 0.00 0.00 77 S 8.06 4.51 0.00 3.72 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 78 D 8.07 4.90 0.00 2.79 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 79 K 7.90 4.60 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.31 7.81 80 L 7.70 4.40 0.00 1.66 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.31 4.77 0.00 3.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.45 4.04 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 0.00 83 T 7.50 4.61 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 1.21 0.00 0.00 84 D 8.55 4.77 0.00 2.69 2.48 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 85 S 8.31 4.58 0.00 3.73 3.78 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 0.00 0.00 0.00 86 E 8.75 4.43 0.00 1.97 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 1.94 0.00 87 E 8.14 4.38 0.00 1.96 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 2.28 1.93 0.00 88 T 7.88 4.17 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 1.21 0.00 0.00 89 I 7.95 4.16 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 1.38 0.55 0.91 0.00 0.00 90 R 7.98 4.26 0.00 1.77 1.98 0.00 3.22 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 91 N 7.89 4.68 0.00 2.68 2.84 0.00 0.00 6.72 8.11 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 92 A 7.71 4.37 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 *93 F 7.72 4.31 0.00 2.26 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 0.00 0.00 0.00 0.00 94 A 7.87 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 7.85 4.49 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 *96 F 8.33 4.92 0.00 2.22 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 97 D 7.69 5.00 0.00 2.60 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 98 E 7.73 4.00 0.00 1.99 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 1.94 0.00 99 Q 8.09 4.03 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 100 E 8.75 3.82 0.00 2.07 1.88 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 2.16 2.11 0.00 101 T 7.73 4.34 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 1.21 0.00 0.00 102 K 8.36 3.85 0.00 1.94 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 0.99 7.81 103 K 7.20 4.50 0.00 1.47 1.53 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 0.87 7.81 104 L 8.16 4.90 0.00 1.32 1.51 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.95 4.74 0.00 2.41 2.74 0.00 0.00 6.91 7.51 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 0.00 106 I 8.85 3.70 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 1.38 0.52 0.91 0.00 0.00 107 E 8.33 4.31 0.00 1.97 1.99 0.00 0.00 0.00 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 1.94 0.00 *108 Y 8.38 4.24 0.00 2.29 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 0.00 0.00 0.00 0.00 109 I 7.83 3.96 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 1.50 0.53 0.91 0.00 0.00 110 K 8.09 4.17 0.00 1.78 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 D 8.16 4.63 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.25 0.00 1.62 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.23 4.30 0.00 1.66 1.71 0.92 0.78 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 0.00 114 E 8.19 4.34 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 2.26 2.21 0.00 115 N 8.15 5.34 0.00 2.72 2.64 0.00 0.00 6.80 7.14 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 0.00 116 M 7.80 4.90 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 117 G 9.10 3.97 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 0.00 118 D 8.81 4.72 0.00 2.69 2.48 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 0.00 119 N 8.17 4.30 0.00 2.50 2.66 0.00 0.00 6.87 7.43 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 *120 F 8.56 4.62 0.00 2.07 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 0.00 0.00 0.00 121 N 8.55 5.12 0.00 2.35 2.65 0.00 0.00 6.72 7.51 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 0.00 122 K 8.99 3.92 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 123 D 8.14 4.68 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.36 4.10 0.00 1.96 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 0.00 2.32 1.96 0.00 125 M 8.81 4.37 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 126 R 8.83 4.21 0.00 1.76 1.96 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 127 M 8.72 4.34 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 128 T 8.18 4.33 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 1.21 0.00 0.00 *129 F 8.09 4.76 0.00 2.32 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 0.00 130 K 8.22 4.48 0.00 1.86 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 131 E 7.46 4.59 0.00 2.23 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 2.18 2.17 0.00 132 A 6.95 3.91 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 0.00 133 P 0.00 4.52 0.00 2.01 1.97 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.57 0.00 134 V 7.57 4.32 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 0.88 0.00 0.00 0.93 0.00 0.00 135 E 8.73 4.44 0.00 1.95 1.74 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 2.16 2.12 0.00 136 G 9.56 4.19 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 0.00 0.00 0.00 137 G 8.94 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 0.00 138 K 7.83 4.83 0.00 1.46 1.70 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.00 7.81 *139 F 9.67 4.46 0.00 1.92 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 0.00 0.00 0.00 0.00 140 D 8.51 4.45 0.00 2.45 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 Y 8.64 4.30 0.00 2.41 2.23 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 0.00 142 V 7.90 4.10 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 0.75 0.00 0.00 0.93 0.00 0.00 143 K 8.16 4.10 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 *144 F 8.11 4.51 0.00 2.23 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 0.00 0.00 0.00 0.00 145 T 8.31 4.24 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 1.21 0.00 0.00 146 A 8.10 4.34 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 0.00 147 M 8.11 3.95 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 148 I 7.79 4.23 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 1.38 1.10 0.91 0.00 0.00 149 K 8.83 4.93 0.00 1.78 0.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.29 7.81 150 G 8.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.