NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3583 8.2393 119.7187 55.0030 31.5596 175.0388 3 P 3.9945 0.0000 0.0000 62.5428 31.6367 174.2776 4 I 2.7670 8.4793 124.7571 58.9102 39.0824 175.2982 5 P 4.3376 0.0000 0.0000 62.1267 31.8964 175.4702 6 E 4.1713 8.5960 123.2713 57.6779 29.9400 177.2219 7 G 3.9815 9.0129 114.5240 45.1262 0.0000 172.8507 8 Y 4.2173 8.0458 122.1283 58.2341 39.6127 174.9544 9 E 5.3118 8.1556 124.6818 54.5228 32.8871 175.0902 10 A 4.8026 8.8142 123.1070 50.2508 22.8834 175.2330 11 V 4.9896 8.4529 119.0084 61.0691 35.3305 174.4667 12 F 5.0213 9.2982 127.7095 56.4951 42.3173 173.3547 13 E 4.8740 7.8408 124.3595 55.0849 33.0521 174.7326 14 T 4.2298 8.1247 116.0797 61.4937 71.7385 171.5820 15 V 4.5580 7.9046 122.0533 60.4654 33.9947 175.3839 16 V 3.6749 8.2919 128.1112 63.3630 32.2398 174.8585 17 T 4.7575 8.1115 117.2511 59.0537 71.4600 173.4920 18 P 4.1832 0.0000 0.0000 65.7914 31.7012 178.1980 19 E 4.1450 7.1334 119.3457 56.0729 28.1429 176.1672 *21 T 4.7679 7.4680 107.3582 61.2127 70.8904 174.4026 22 V 3.5920 7.9095 121.6510 63.4363 32.3110 175.0452 23 R 4.8341 8.8362 129.3308 55.1948 32.9574 174.1767 24 F 5.1203 8.7921 124.8518 55.4766 42.3277 175.3502 25 E 4.3023 8.7541 119.9112 57.7132 30.1559 176.5172 26 E 4.3133 9.0149 125.9431 57.1884 27.8081 176.2085 27 L 4.1211 7.8713 115.9840 55.3282 42.6514 178.1116 28 G 3.8517 8.4005 106.6465 43.5412 0.0000 170.3810 29 P 4.7318 0.0000 0.0000 63.2379 31.8673 174.6891 30 V 4.2663 8.7351 120.0079 64.3257 33.3790 175.1891 31 H 5.1140 7.8144 116.2699 52.5971 32.8726 171.9966 32 P 4.9421 0.0000 0.0000 63.3243 30.7204 175.9969 33 V 4.5859 7.5601 111.3197 60.2335 36.9599 174.7021 34 Y 4.4416 8.6673 123.1465 58.5024 39.0504 176.3210 35 A 3.9619 8.2800 128.2744 51.8918 19.3504 178.2654 36 T 3.6586 8.4837 117.7324 66.7934 69.0736 175.8776 37 Y 4.2276 7.5429 118.6897 59.3412 38.4714 176.6487 38 W 4.0905 6.9793 120.3875 57.0574 29.0906 178.4502 *40 V 3.9335 7.9066 119.6690 62.8430 32.9272 176.2739 41 K 3.9748 7.8233 120.3004 59.9087 32.1654 179.2328 42 H 4.6086 8.0438 116.1688 55.9885 28.2350 177.4539 *44 E 4.2266 8.3299 120.6516 56.4479 31.7037 178.2973 45 L 3.8166 8.0272 119.7309 58.1633 41.8610 178.9133 46 A 4.2056 8.0312 119.5062 55.1509 18.6804 179.4978 47 G 3.7440 8.0752 103.8126 48.0003 0.0000 175.7829 48 R 4.3537 8.2272 122.5991 58.5763 29.8948 178.6523 49 K 4.1895 7.9604 117.2348 58.9326 32.0113 178.9894 50 I 4.3667 7.5663 120.2239 64.1957 37.3502 177.7633 51 I 4.1747 7.8157 113.1877 63.1639 37.9898 177.6720 52 L 3.9686 7.8823 120.9047 57.6544 41.3552 177.6186 53 P 4.2863 0.0000 0.0000 64.0380 31.3484 176.8101 54 F 4.6767 7.7910 114.8105 57.0779 40.5265 176.1250 55 L 4.2345 7.3921 120.2880 54.7944 41.9722 176.8620 56 E 4.4212 9.5343 123.0863 54.4427 31.0005 175.3593 57 E 3.9615 8.5124 120.8727 58.3029 29.8203 177.3349 58 G 3.9670 9.0628 113.8229 45.2632 0.0000 172.4596 59 E 4.9268 7.8811 118.8473 55.5697 31.1059 175.1719 60 E 4.7437 9.2827 122.1335 54.8093 33.9145 173.9303 61 G 4.6373 9.2286 110.9211 44.2331 0.0000 172.3848 62 I 4.7811 8.6243 116.7458 58.3808 41.0233 174.9902 63 G 3.9042 8.8152 112.5224 46.7116 0.0000 172.8627 64 S 4.8198 9.0430 119.4581 59.2027 65.0885 173.4734 65 Y 5.0313 7.6767 118.7508 56.3142 42.0696 173.9161 66 V 4.7482 7.1096 123.3980 60.2578 34.8879 173.6703 67 E 4.6249 8.7229 122.2947 54.9543 33.4994 173.7330 68 A 5.0549 8.3748 126.2741 50.8268 22.7277 175.1883 69 R 4.4329 9.1531 123.6994 54.7429 32.4604 174.4482 70 H 4.6111 8.9153 127.2984 55.6454 29.3950 174.1921 71 L 4.4753 8.7586 126.9626 56.4236 42.5794 176.8554 72 A 4.6880 7.7297 118.5224 50.8404 22.4526 174.4709 73 S 4.9984 8.3845 114.8093 57.1691 65.6944 174.0006 74 A 4.6933 8.2755 121.6713 50.3871 21.8318 175.5001 75 L 4.6868 8.5025 122.2311 52.6321 43.5145 175.1529 76 P 4.1531 0.0000 0.0000 64.5598 32.1684 176.9533 77 G 3.6423 8.8659 110.6809 45.8639 0.0000 173.4439 *79 R 4.2346 7.4227 116.0599 55.9316 32.6567 176.5700 80 V 4.6945 8.6936 121.2029 61.1097 35.3872 174.0210 81 R 5.0098 9.0451 127.1741 54.4890 33.1408 173.9260 82 V 4.8678 9.1769 126.6033 61.1380 34.3417 174.1017 83 V 4.8620 9.2738 128.1154 61.1781 33.9389 173.8554 84 A 5.3260 9.0169 130.1174 50.3209 21.6782 175.2795 85 R 5.0809 9.1540 121.7299 54.4223 33.6662 173.8571 86 H 4.5787 9.6035 127.3186 56.9403 30.3132 174.9886 87 E 4.1631 9.2345 128.3410 57.6522 30.1369 176.0755 88 K 4.2829 7.3269 115.5878 56.5894 35.6199 173.3338 89 T 5.2629 8.6141 116.9258 61.9150 71.7997 173.5049 90 E 4.5791 9.3339 126.0328 55.2438 32.8057 176.1913 91 G 3.8027 8.3815 115.1180 47.1558 0.0000 173.2383 92 N 4.8157 8.7918 121.5377 52.0236 37.4979 173.1158 93 R 4.9001 8.1377 120.1858 55.1589 32.6094 174.5159 94 V 4.5959 8.7884 127.2958 61.6500 33.4977 173.7735 95 Y 5.2122 9.4589 126.2112 56.4802 40.0405 174.7127 96 A 5.2602 8.9761 124.8298 50.3318 23.1713 174.8359 97 R 4.8526 9.0473 120.1535 54.8076 32.6087 175.8208 98 V 5.1489 8.7517 122.2976 61.2131 35.5581 173.9938 99 E 5.1619 9.1764 122.8985 54.6876 33.2980 173.8741 100 A 5.1629 8.8512 123.4279 50.4350 22.6749 174.5815 101 Y 5.2898 9.0818 118.0055 56.2843 42.6713 175.0605 102 N 5.1995 8.6827 119.8975 51.2091 39.8816 175.3493 103 E 3.8354 8.3626 119.0646 59.4016 29.5272 177.7077 104 L 4.1222 7.9375 115.7982 55.4167 41.9412 177.5865 105 G 3.9857 8.3380 107.9062 44.9816 0.0000 173.8004 106 D 4.4306 8.2841 120.4473 53.9370 41.3465 175.6322 107 L 4.4617 8.4954 125.4357 54.7142 41.8351 176.1801 108 I 4.3289 8.4710 121.1155 61.9888 39.3504 175.6870 109 G 4.3882 7.3937 107.5882 45.5104 0.0000 172.7855 110 V 4.9000 8.1840 114.9624 59.8110 36.1541 175.4691 111 G 4.4011 9.1177 109.5704 48.0576 0.0000 172.0589 112 R 5.2819 8.0687 115.3733 55.9014 32.8009 173.8831 113 T 5.3160 8.9879 109.6634 60.3452 73.1043 172.3521 114 E 5.0921 9.1891 120.5204 54.7659 33.6816 174.9573 115 Q 4.9707 8.7918 121.8977 54.0703 33.3235 174.2247 116 V 4.5156 8.7076 122.8596 61.3087 33.8828 174.3506 117 I 4.7689 8.8093 129.4811 60.3136 38.0291 175.2254 118 L 4.8305 8.9614 126.2014 52.2456 46.8209 174.2606 119 P 4.7061 0.0000 0.0000 62.2934 32.1606 177.9449 120 K 3.8693 9.4498 122.3492 59.7146 31.9067 179.6214 121 A 3.9502 7.9057 120.5273 54.8768 18.3547 179.4587 122 K 3.8203 7.9137 118.2391 59.4868 32.3357 179.2214 123 V 3.1907 7.5368 117.9793 66.0242 31.4091 177.6690 124 E 3.9041 8.1922 118.0851 59.3269 29.2288 179.2548 125 A 3.9696 7.9464 120.8259 54.9404 18.4962 179.7529 126 L 3.8909 7.7608 117.5112 58.1035 41.7273 179.8093 127 F 4.6049 7.7221 117.6474 60.5291 38.8096 177.8157 128 R 3.9760 8.4121 118.7891 59.3838 29.9031 178.5472 129 R 4.0887 8.2514 118.6805 59.3217 30.0605 178.2389 130 L 3.9995 7.9326 119.7608 58.0945 42.0528 178.9215 131 K 4.2499 8.2274 119.6279 59.6045 32.1418 178.6986 132 E 4.2949 8.3723 120.3408 58.9797 29.1338 179.5489 133 R 4.0205 7.9760 117.4326 58.8004 30.4052 178.6407 134 W 4.5460 8.2579 128.3249 60.7310 30.3853 178.0153 135 E 3.8431 8.6231 118.4299 59.1360 28.6460 178.9006 136 A 4.1863 7.8096 119.4852 54.0161 18.4489 177.7323 137 E 4.3087 7.9742 121.7289 56.5072 29.8844 176.0074 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 R 8.24 4.36 0.00 2.05 2.07 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 P 0.00 3.99 0.00 2.20 2.04 0.00 3.79 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 1.99 2.05 0.00 4 I 8.48 2.77 1.13 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 0.21 0.00 0.00 5 P 0.00 4.34 0.00 2.34 2.05 0.00 3.27 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 6 E 8.60 4.17 0.00 1.92 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 2.29 2.28 0.00 7 G 9.01 3.98 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 8 Y 8.05 4.22 0.00 3.29 2.93 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 9 E 8.16 5.31 0.00 1.71 1.75 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 2.20 2.39 0.00 10 A 8.81 4.80 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 11 V 8.45 4.99 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 0.88 0.00 0.00 0.95 0.00 0.00 12 F 9.30 5.02 0.00 3.17 2.93 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 13 E 7.84 4.87 0.00 1.60 1.59 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 2.09 2.15 0.00 14 T 8.12 4.23 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 1.14 0.00 0.00 15 V 7.90 4.56 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 0.77 0.00 0.00 0.85 0.00 0.00 16 V 8.29 3.67 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 0.87 0.00 0.00 0.50 0.00 0.00 17 T 8.11 4.76 4.29 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 1.16 0.00 0.00 18 P 0.00 4.18 0.00 2.02 2.13 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 19 E 7.13 4.15 0.00 1.71 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 2.37 2.32 0.00 *21 T 7.47 4.77 4.41 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 1.19 0.00 0.00 22 V 7.91 3.59 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 0.84 0.00 0.00 0.96 0.00 0.00 23 R 8.84 4.83 0.00 1.78 1.77 0.00 3.31 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 1.56 1.61 0.00 24 F 8.79 5.12 0.00 3.05 2.82 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 0.00 0.00 0.00 25 E 8.75 4.30 0.00 1.96 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 2.32 2.41 0.00 26 E 9.01 4.31 0.00 2.15 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 2.18 2.31 0.00 27 L 7.87 4.12 0.00 1.81 1.81 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.40 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 29 P 0.00 4.73 0.00 2.19 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 30 V 8.74 4.27 2.06 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 0.63 0.00 0.00 1.18 0.00 0.00 31 H 7.81 5.11 0.00 3.07 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.94 0.00 2.07 2.13 0.00 3.77 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 1.99 2.01 0.00 33 V 7.56 4.59 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 0.71 0.00 0.00 0.92 0.00 0.00 34 Y 8.67 4.44 0.00 2.86 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 35 A 8.28 3.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.48 3.66 4.32 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 1.22 0.00 0.00 37 Y 7.54 4.23 0.00 2.99 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 38 W 6.98 4.09 0.00 3.01 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 *40 V 7.91 3.93 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 0.72 0.00 0.00 0.90 0.00 0.00 41 K 7.82 3.97 0.00 1.60 1.76 0.00 1.18 0.00 0.00 1.34 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.25 7.81 42 H 8.04 4.61 0.00 3.51 3.58 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 E 8.33 4.23 0.00 2.18 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 2.25 2.44 0.00 45 L 8.03 3.82 0.00 1.63 1.48 0.81 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.03 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.08 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 0.00 0.00 0.00 48 R 8.23 4.35 0.00 1.99 2.09 0.00 3.15 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 49 K 7.96 4.19 0.00 2.06 1.98 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.79 7.81 50 I 7.57 4.37 2.23 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 1.86 0.81 1.08 0.00 0.00 51 I 7.82 4.17 1.92 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 1.86 0.64 0.94 0.00 0.00 52 L 7.88 3.97 0.00 1.79 1.80 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.29 0.00 1.05 1.74 0.00 3.83 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 2.06 2.13 0.00 54 F 7.79 4.68 0.00 3.04 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 55 L 7.39 4.23 0.00 1.71 1.62 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.53 4.42 0.00 2.08 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 2.29 2.25 0.00 57 E 8.51 3.96 0.00 1.90 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 2.30 2.39 0.00 58 G 9.06 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 59 E 7.88 4.93 0.00 2.01 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 2.29 2.25 0.00 60 E 9.28 4.74 0.00 2.01 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 2.20 2.31 0.00 61 G 9.23 4.64 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 0.00 0.00 0.00 62 I 8.62 4.78 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.29 0.93 0.00 0.00 63 G 8.82 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 64 S 9.04 4.82 0.00 3.82 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 65 Y 7.68 5.03 0.00 3.03 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 66 V 7.11 4.75 1.93 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 0.54 0.00 0.00 0.82 0.00 0.00 67 E 8.72 4.62 0.00 1.89 1.77 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 2.22 2.29 0.00 68 A 8.37 5.05 1.14 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 0.00 0.00 69 R 9.15 4.43 0.00 1.86 1.79 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 70 H 8.92 4.61 0.00 3.20 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.76 4.48 0.00 1.74 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.73 4.69 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 73 S 8.38 5.00 0.00 3.76 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 74 A 8.28 4.69 1.12 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 0.00 0.00 75 L 8.50 4.69 0.00 1.51 1.58 0.91 1.07 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 76 P 0.00 4.15 0.00 1.99 1.94 0.00 3.64 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 2.00 2.05 0.00 77 G 8.87 3.64 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 0.00 0.00 0.00 *79 R 7.42 4.23 0.00 1.74 1.81 0.00 2.99 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 80 V 8.69 4.69 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 0.87 0.00 0.00 0.46 0.00 0.00 81 R 9.05 5.01 0.00 1.87 1.81 0.00 3.09 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 82 V 9.18 4.87 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 1.08 0.00 0.00 1.15 0.00 0.00 83 V 9.27 4.86 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 0.97 0.00 0.00 1.09 0.00 0.00 84 A 9.02 5.33 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 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.15 5.08 0.00 1.98 1.79 0.00 3.13 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 86 H 9.60 4.58 0.00 3.32 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.23 4.16 0.00 2.05 2.13 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 2.24 2.24 0.00 88 K 7.33 4.28 0.00 1.73 1.73 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.16 7.81 89 T 8.61 5.26 4.29 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 1.30 0.00 0.00 90 E 9.33 4.58 0.00 2.13 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 91 G 8.38 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 92 N 8.79 4.82 0.00 3.04 3.01 0.00 0.00 5.41 7.66 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 93 R 8.14 4.90 0.00 1.88 2.04 0.00 3.12 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.27 0.00 94 V 8.79 4.60 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 0.95 0.00 0.00 0.92 0.00 0.00 95 Y 9.46 5.21 0.00 3.06 2.90 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 96 A 8.98 5.26 1.29 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 0.00 0.00 97 R 9.05 4.85 0.00 1.78 1.89 0.00 3.31 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 98 V 8.75 5.15 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 1.14 0.00 0.00 0.98 0.00 0.00 99 E 9.18 5.16 0.00 1.72 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 2.30 2.37 0.00 100 A 8.85 5.16 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 0.00 101 Y 9.08 5.29 0.00 2.90 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 0.00 102 N 8.68 5.20 0.00 2.83 2.96 0.00 0.00 6.78 7.38 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 0.00 103 E 8.36 3.84 0.00 2.09 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 2.30 2.26 0.00 104 L 7.94 4.12 0.00 1.83 1.70 0.92 0.95 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 0.00 105 G 8.34 3.99 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 0.00 0.00 0.00 106 D 8.28 4.43 0.00 2.87 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 0.00 107 L 8.50 4.46 0.00 1.69 1.64 0.59 1.03 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 0.00 108 I 8.47 4.33 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.98 0.00 0.00 109 G 7.39 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 0.00 0.00 0.00 0.00 110 V 8.18 4.90 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 0.66 0.00 0.00 0.93 0.00 0.00 111 G 9.12 4.40 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 0.00 112 R 8.07 5.28 0.00 2.15 2.09 0.00 3.11 0.00 0.00 3.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 113 T 8.99 5.32 4.32 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 1.21 0.00 0.00 114 E 9.19 5.09 0.00 1.98 1.56 0.00 0.00 0.00 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 2.22 0.00 115 Q 8.79 4.97 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 116 V 8.71 4.52 2.06 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 1.02 0.00 0.00 0.89 0.00 0.00 117 I 8.81 4.77 1.86 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 0.97 0.91 0.00 0.00 118 L 8.96 4.83 0.00 1.46 1.43 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.71 0.00 2.14 1.94 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 120 K 9.45 3.87 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.53 7.81 121 A 7.91 3.95 1.29 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 0.00 0.00 122 K 7.91 3.82 0.00 1.85 1.96 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 123 V 7.54 3.19 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 0.49 0.00 0.00 0.81 0.00 0.00 124 E 8.19 3.90 0.00 2.15 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 2.35 2.58 0.00 125 A 7.95 3.97 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 0.00 126 L 7.76 3.89 0.00 1.51 1.64 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.72 4.60 0.00 3.08 2.97 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 0.00 128 R 8.41 3.98 0.00 2.02 2.14 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 129 R 8.25 4.09 0.00 2.05 2.10 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 130 L 7.93 4.00 0.00 1.90 1.93 0.89 0.15 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 0.00 131 K 8.23 4.25 0.00 2.13 2.02 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.73 7.81 132 E 8.37 4.29 0.00 2.25 2.02 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 2.37 2.53 0.00 133 R 7.98 4.02 0.00 2.05 2.06 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 134 W 8.26 4.55 0.00 3.48 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 0.00 135 E 8.62 3.84 0.00 2.18 1.93 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 2.19 2.66 0.00 136 A 7.81 4.19 1.43 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 0.00 137 E 7.97 4.31 0.00 2.21 1.94 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 2.64 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.