NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5656 8.3493 120.1911 53.4671 42.2044 175.1886 5 P 4.4402 0.0000 0.0000 61.6044 32.4954 174.3179 6 M 4.3122 9.1988 120.5342 55.7701 33.8685 178.3957 7 I 3.9189 8.4531 124.2701 61.4402 36.8506 174.0375 8 I 4.7174 7.9729 119.6565 58.3382 38.4913 175.2818 9 R 5.0038 7.7356 125.5273 53.0303 34.5112 175.4747 10 G 3.8791 8.8910 110.1836 46.4427 0.0000 172.2923 11 I 5.2263 8.7880 121.4521 59.5283 41.3732 174.6458 12 R 4.4980 9.3206 126.7795 55.7918 32.1458 172.7784 13 G 3.7904 9.0646 117.5373 45.2111 0.0000 172.3461 14 A 4.8443 8.2795 128.0190 50.0638 21.9476 176.7817 15 R 4.5607 8.0224 117.3358 54.4541 30.3767 175.6227 16 I 3.8489 8.2601 117.4583 61.5823 37.1713 175.7570 17 N 5.1134 7.8296 121.7648 51.6795 41.9668 175.6443 18 N 3.8881 7.9561 116.4809 56.1128 40.2244 175.2775 19 E 3.5892 7.9220 113.4723 59.4921 30.0891 179.3638 20 I 3.5663 7.7462 114.8688 63.0248 38.8455 177.1194 21 F 3.9821 8.4245 120.2633 58.9918 38.5135 176.5393 22 N 4.8872 8.8514 124.5944 53.1631 36.3557 176.0844 23 L 4.6370 7.6655 112.4242 56.2740 42.3376 177.1356 24 G 3.9525 8.4836 106.6743 45.7424 0.0000 174.3447 25 L 3.3584 7.0192 122.8352 55.0062 40.0895 176.9093 26 K 3.7146 6.0049 128.9937 55.1343 33.3428 178.0100 27 F 2.8869 6.0545 112.6602 56.7082 40.1693 173.7043 28 Q 4.5617 8.9590 125.8456 55.4568 30.7272 174.2774 29 I 5.1802 8.1696 116.8265 59.4324 40.9488 174.2833 30 L 4.8013 8.2919 124.9843 52.8217 45.4785 174.3515 31 N 4.9907 8.9407 118.9536 53.1924 39.1102 175.8985 32 A 4.1483 8.6799 128.8624 54.4614 18.3897 178.3903 33 D 4.4562 8.4919 115.1668 56.5065 41.0067 177.2192 34 V 4.4243 7.4949 118.2328 62.1982 32.0966 174.8907 35 V 4.1216 7.8415 117.5824 59.2959 32.5152 175.0755 36 A 4.0083 8.8908 128.8295 54.5941 18.8478 177.3744 37 T 4.6657 7.2412 102.3467 59.5308 71.7509 174.2252 38 K 4.1359 8.6433 119.2371 59.4004 31.7763 179.5049 39 K 3.9309 7.6823 118.3091 59.6557 31.9290 178.2867 40 H 4.0467 7.7301 117.2095 59.5738 29.6781 177.0347 41 V 3.5344 7.7554 118.9181 66.1053 31.1139 177.4108 42 L 4.1838 7.9605 119.9878 58.4164 41.6720 178.5572 43 H 4.2255 8.7946 118.4285 59.1904 29.9301 176.8127 44 A 4.0631 8.3527 123.0001 55.4165 18.2637 179.6723 45 I 3.6834 8.3921 111.7369 64.1640 37.5591 178.2993 46 N 4.4230 7.8302 117.1186 55.8253 38.4678 177.3154 47 Q 3.8882 8.5407 121.4178 59.0979 28.9865 177.9507 48 A 4.2469 8.1339 121.0967 55.0435 18.4360 179.2116 49 K 4.2752 7.9287 117.2853 58.5654 32.2642 177.5831 50 T 4.6751 7.5056 107.2116 60.7524 69.3433 173.4277 51 K 4.6057 7.5162 118.4712 54.3272 35.5201 175.9580 52 K 3.6612 8.7326 120.3213 56.3162 31.9053 174.3698 53 P 4.7000 0.0000 0.0000 62.0334 31.0229 176.1319 54 I 3.8885 8.5637 123.9215 62.1898 37.1284 175.5816 55 A 4.8525 7.6440 121.9677 50.0737 21.5053 176.5733 56 K 3.9099 8.6059 118.8462 57.3162 32.8937 178.0132 57 S 4.8064 7.5624 114.4135 55.5264 67.0804 174.2992 58 F 4.0503 9.0293 126.3774 61.7341 38.7902 177.6547 59 W 3.9766 8.1385 117.6481 59.3702 29.0947 177.4822 60 M 4.2516 7.9497 116.7457 56.8940 31.6897 177.7625 61 E 3.9876 7.9408 119.8879 59.5918 29.8151 178.1661 62 I 3.5080 7.1603 119.4342 64.4562 37.0973 177.8568 63 L 3.9507 7.3164 117.7792 58.5158 41.7720 179.6443 64 V 3.6990 7.1752 109.3708 64.1466 31.7317 178.7287 65 R 4.0368 8.5454 118.1137 59.3638 29.8248 178.9648 66 A 4.2536 8.0322 119.3297 55.1325 18.3686 179.5028 67 S 4.2835 7.9803 112.3057 59.3394 63.0259 174.9487 68 G 3.9005 8.5066 109.6663 45.8396 0.0000 172.9455 69 Q 4.5097 7.5259 118.1943 54.2111 32.4357 174.4800 70 R 3.9950 8.6635 124.5352 59.4950 30.1816 177.2192 71 Q 4.0816 7.2202 117.4641 56.9064 29.6122 177.9728 72 I 3.7790 8.3700 122.0685 64.2993 37.3062 178.1629 73 H 4.0698 8.0617 118.6025 59.0678 29.9325 176.5992 74 E 4.0941 8.1995 120.2085 58.4495 29.5803 178.3794 75 A 4.0365 7.4001 121.0264 55.2742 18.5529 179.6812 76 I 3.7256 7.7821 118.3347 64.2043 36.8647 178.5432 77 K 3.9900 7.5689 119.1045 58.5890 32.0221 177.8309 78 I 4.3678 7.2685 110.6192 60.9787 39.1622 175.9022 79 I 4.5438 7.8986 117.5346 59.6944 39.4102 175.0903 80 G 3.9305 7.8485 108.5748 45.9887 0.0000 173.5414 81 A 4.2258 8.5723 126.4268 52.1249 18.9725 176.8296 82 K 4.7195 8.1949 119.6840 54.7392 35.9112 175.6305 83 D 4.3437 8.6668 119.0520 55.3956 41.8162 173.7807 84 G 3.9937 8.4642 113.0969 44.4447 0.0000 173.2685 85 N 5.5544 8.6880 114.5793 51.0344 41.9524 175.2397 86 V 5.0612 8.7113 113.3345 60.1633 37.0881 174.1803 87 C 4.9134 8.7167 117.6000 56.0203 30.4035 172.0977 88 L 4.2771 8.4977 128.0962 55.5772 43.0415 175.2104 89 I 5.3733 8.8026 126.9870 59.3651 39.8195 174.7724 90 C 4.8408 8.5417 122.2682 59.2022 32.3079 173.0093 91 E 4.4768 9.1269 115.2382 57.7685 31.7720 176.2742 92 D 4.9721 7.6752 116.9321 52.0612 44.3539 176.2899 93 E 3.8776 8.7927 126.4064 59.1816 29.7066 178.4842 94 E 4.3328 8.0641 116.0573 57.8951 29.7591 178.2464 95 T 3.8230 7.7540 110.9328 64.4340 68.8026 176.2337 96 F 3.8447 7.9779 123.6703 61.0208 39.4398 176.9976 97 R 3.8665 7.7248 118.4589 59.2923 29.6216 178.5238 98 K 3.8905 7.8262 118.0214 59.6568 32.1091 179.4054 99 I 3.7017 6.9946 120.3211 64.3902 36.9415 177.7954 100 Y 4.0516 7.6995 120.3997 60.6663 38.1645 178.1981 101 E 3.8210 7.8989 118.9484 58.9201 29.5921 179.0225 102 L 4.0775 7.1983 118.4400 57.8753 42.1459 177.9407 103 I 4.2415 7.6123 110.1476 60.2073 39.4690 173.7926 104 G 4.1267 8.1634 109.2871 45.2408 0.0000 172.9958 105 G 4.5254 8.4028 111.0542 44.2255 0.0000 172.6870 106 E 4.6641 8.1380 117.2958 54.6891 31.2468 176.5714 107 I 4.0964 8.4331 123.8195 62.0238 37.8267 175.5416 108 D 4.5402 9.4570 127.8139 52.8939 42.9815 175.4983 109 D 4.4885 8.8411 126.7641 56.2172 41.1892 178.5055 110 S 4.7868 8.3442 112.0407 58.8560 63.4952 175.1175 111 V 4.0021 7.2916 120.1176 62.7762 32.0421 177.5602 112 L 4.1168 7.6325 121.2805 57.7538 41.7074 177.5801 113 E 4.3621 7.8544 115.8746 55.8048 31.3072 175.9424 114 I 3.9906 7.6356 121.7320 61.1394 37.9963 175.7622 115 N 4.7182 8.6034 127.7467 52.7337 39.9406 175.4569 116 E 4.1073 8.7759 119.2303 59.2915 30.0980 178.0196 117 D 4.5081 8.1877 118.7846 57.3929 41.3218 178.5105 118 K 4.0001 8.2392 118.3791 59.5758 32.0750 178.8067 119 E 4.2042 7.5634 112.5335 57.3638 29.5096 177.5669 120 R 4.4570 7.7867 116.4544 58.0711 31.0504 178.1160 121 L 4.0292 7.7325 120.2682 58.3348 40.1671 178.8323 122 I 3.7415 8.8721 120.9567 63.3743 37.4880 177.1787 123 R 4.5058 7.7363 114.1052 56.5582 29.6381 177.6180 124 E 4.0268 7.8842 120.8042 59.0375 29.8980 177.5625 125 I 4.2787 7.5380 109.1939 61.0736 38.2892 175.8566 126 F 4.4538 7.7374 117.2859 56.5076 40.2680 175.6781 127 K 3.8121 7.6997 118.1463 57.5241 29.7613 176.7701 *134 V 4.0667 7.7939 116.4414 61.1712 32.9263 175.8605 135 V 4.2547 7.7054 111.7849 61.2699 33.8841 175.9642 136 E 4.4204 7.8644 117.6609 56.8370 31.2137 177.8552 137 R 3.8812 8.0018 118.6812 59.3054 29.9787 178.2267 138 V 3.5660 7.6919 117.5309 66.1596 31.4388 177.8548 139 L 3.9565 7.5538 118.5197 57.6268 41.4491 179.2310 140 E 4.0978 8.0833 116.8690 58.7120 29.5552 178.9166 141 K 4.0041 7.7393 120.1645 59.5848 32.2640 178.5713 142 I 3.9221 7.8585 119.4756 64.1742 36.7483 178.3254 143 A 4.3689 7.8706 122.5092 54.2667 18.5784 178.7664 144 L 4.3386 7.8316 115.1287 54.9372 41.7781 178.2912 145 I 3.8391 7.1758 119.6791 62.5405 38.3369 175.0347 146 E 4.8091 8.1163 116.9976 56.3359 29.8610 175.9108 147 L 4.3330 7.8253 123.7053 56.1942 42.7788 176.7702 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 4 D 8.35 4.57 0.00 2.66 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 5 P 0.00 4.44 0.00 2.30 2.03 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 6 M 9.20 4.31 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 7 I 8.45 3.92 1.79 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 1.15 1.08 0.34 0.00 0.00 8 I 7.97 4.72 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.97 0.00 0.00 9 R 7.74 5.00 0.00 1.62 1.74 0.00 3.22 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.00 10 G 8.89 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 0.00 0.00 0.00 11 I 8.79 5.23 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 1.06 0.00 0.00 12 R 9.32 4.50 0.00 1.73 1.86 0.00 3.39 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 13 G 9.06 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 14 A 8.28 4.84 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 15 R 8.02 4.56 0.00 1.80 1.83 0.00 3.37 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 16 I 8.26 3.85 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 1.03 0.00 0.00 17 N 7.83 5.11 0.00 2.81 2.71 0.00 0.00 7.13 8.00 0.00 0.00 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 N 7.96 3.89 0.00 2.72 2.76 0.00 0.00 6.96 7.65 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 19 E 7.92 3.59 0.00 2.19 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 0.00 2.40 2.34 0.00 20 I 7.75 3.57 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.86 0.00 0.00 21 F 8.42 3.98 0.00 3.20 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 22 N 8.85 4.89 0.00 2.85 2.92 0.00 0.00 5.71 7.79 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 23 L 7.67 4.64 0.00 1.68 1.71 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.48 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 0.00 0.00 0.00 25 L 7.02 3.36 0.00 1.58 1.53 0.85 -0.06 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 26 K 6.00 3.71 0.00 1.56 1.54 0.00 1.75 0.00 0.00 2.19 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.03 0.66 7.81 27 F 6.05 2.89 0.00 2.93 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 28 Q 8.96 4.56 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 29 I 8.17 5.18 1.90 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 0.87 0.88 0.00 0.00 30 L 8.29 4.80 0.00 1.55 1.83 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.94 4.99 0.00 3.07 2.87 0.00 0.00 7.54 8.74 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 32 A 8.68 4.15 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 33 D 8.49 4.46 0.00 2.86 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 34 V 7.49 4.42 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 1.05 0.00 0.00 1.01 0.00 0.00 35 V 7.84 4.12 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 0.83 0.00 0.00 0.91 0.00 0.00 36 A 8.89 4.01 1.19 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 37 T 7.24 4.67 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 1.19 0.00 0.00 38 K 8.64 4.14 0.00 1.87 1.91 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 39 K 7.68 3.93 0.00 1.96 1.85 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 40 H 7.73 4.05 0.00 3.25 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.76 3.53 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 0.85 0.00 0.00 0.91 0.00 0.00 42 L 7.96 4.18 0.00 1.98 1.89 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.79 4.23 0.00 3.36 3.56 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.35 4.06 1.42 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 0.00 0.00 45 I 8.39 3.68 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 0.94 0.00 0.00 46 N 7.83 4.42 0.00 2.98 2.89 0.00 0.00 6.60 7.24 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 47 Q 8.54 3.89 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 48 A 8.13 4.25 1.19 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 49 K 7.93 4.28 0.00 2.26 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.37 1.28 7.81 50 T 7.51 4.68 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 51 K 7.52 4.61 0.00 1.89 1.71 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.61 7.81 52 K 8.73 3.66 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 53 P 0.00 4.70 0.00 2.05 2.10 0.00 3.73 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 2.05 2.09 0.00 54 I 8.56 3.89 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 1.35 0.75 0.97 0.00 0.00 55 A 7.64 4.85 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 56 K 8.61 3.91 0.00 1.79 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.38 7.81 57 S 7.56 4.81 0.00 4.22 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 58 F 9.03 4.05 0.00 2.97 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 59 W 8.14 3.98 0.00 3.49 3.25 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 60 M 7.95 4.25 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 61 E 7.94 3.99 0.00 2.18 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 2.25 2.32 0.00 62 I 7.16 3.51 1.85 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.24 0.86 0.00 0.00 63 L 7.32 3.95 0.00 1.79 1.88 0.96 1.04 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 64 V 7.18 3.70 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 0.97 0.00 0.00 65 R 8.55 4.04 0.00 1.75 1.97 0.00 3.29 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 66 A 8.03 4.25 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 67 S 7.98 4.28 0.00 4.03 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 68 G 8.51 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 69 Q 7.53 4.51 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 70 R 8.66 3.99 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 71 Q 7.22 4.08 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 72 I 8.37 3.78 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.91 0.00 0.00 73 H 8.06 4.07 0.00 3.25 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.20 4.09 0.00 2.04 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 2.37 2.30 0.00 75 A 7.40 4.04 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 76 I 7.78 3.73 1.81 0.00 0.00 0.72 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 1.22 0.88 0.00 0.00 77 K 7.57 3.99 0.00 1.93 2.00 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 78 I 7.27 4.37 1.86 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 1.33 0.93 0.89 0.00 0.00 79 I 7.90 4.54 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.82 0.98 0.00 0.00 80 G 7.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.57 4.23 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 82 K 8.19 4.72 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.48 7.81 83 D 8.67 4.34 0.00 2.70 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 84 G 8.46 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 85 N 8.69 5.55 0.00 2.73 2.88 0.00 0.00 5.69 7.68 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 86 V 8.71 5.06 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 0.82 0.00 0.00 0.97 0.00 0.00 87 C 8.72 4.91 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.50 4.28 0.00 1.87 1.78 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.80 5.37 2.31 0.00 0.00 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 1.35 2.05 1.23 0.00 0.00 90 C 8.54 4.84 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.13 4.48 0.00 2.08 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 2.64 2.80 0.00 92 D 7.68 4.97 0.00 2.75 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 93 E 8.79 3.88 0.00 2.08 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 2.34 2.43 0.00 94 E 8.06 4.33 0.00 2.28 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 0.00 2.32 2.42 0.00 95 T 7.75 3.82 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 1.32 0.00 0.00 96 F 7.98 3.84 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.72 3.87 0.00 2.00 2.06 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 98 K 7.83 3.89 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.48 7.81 99 I 6.99 3.70 1.65 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.82 0.00 0.00 100 Y 7.70 4.05 0.00 1.98 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 0.00 101 E 7.90 3.82 0.00 2.14 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 2.36 2.41 0.00 102 L 7.20 4.08 0.00 1.71 1.68 0.94 0.81 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 0.00 103 I 7.61 4.24 1.93 0.00 0.00 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 1.39 0.50 0.94 0.00 0.00 104 G 8.16 4.13 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 0.00 0.00 0.00 105 G 8.40 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.14 4.66 0.00 2.04 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 2.43 2.32 0.00 107 I 8.43 4.10 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.06 0.84 0.00 0.00 108 D 9.46 4.54 0.00 2.71 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 0.00 109 D 8.84 4.49 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.34 4.79 0.00 3.98 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 0.00 111 V 7.29 4.00 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 0.81 0.00 0.00 0.95 0.00 0.00 112 L 7.63 4.12 0.00 1.77 1.77 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.85 4.36 0.00 2.03 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 2.44 2.30 0.00 114 I 7.64 3.99 1.83 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 1.21 0.79 0.88 0.00 0.00 115 N 8.60 4.72 0.00 2.72 2.76 0.00 0.00 6.74 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 0.00 116 E 8.78 4.11 0.00 1.92 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 2.28 2.27 0.00 117 D 8.19 4.51 0.00 2.78 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 0.00 118 K 8.24 4.00 0.00 1.84 1.83 0.00 1.56 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.54 7.81 119 E 7.56 4.20 0.00 2.24 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 2.54 2.25 0.00 120 R 7.79 4.46 0.00 2.05 2.18 0.00 2.92 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 121 L 7.73 4.03 0.00 1.97 1.98 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.87 3.74 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.18 0.85 0.00 0.00 123 R 7.74 4.51 0.00 2.15 2.14 0.00 3.18 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 124 E 7.88 4.03 0.00 2.15 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 0.00 2.35 2.34 0.00 125 I 7.54 4.28 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.05 0.96 0.00 0.00 126 F 7.74 4.45 0.00 3.19 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 0.00 127 K 7.70 3.81 0.00 1.97 1.92 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.50 7.81 *134 V 7.79 4.07 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 0.76 0.00 0.00 0.91 0.00 0.00 135 V 7.71 4.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 136 E 7.86 4.42 0.00 1.97 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 0.00 137 R 8.00 3.88 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 138 V 7.69 3.57 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 0.50 0.00 0.00 0.40 0.00 0.00 139 L 7.55 3.96 0.00 1.62 1.25 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.08 4.10 0.00 2.20 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 0.00 2.53 2.38 0.00 141 K 7.74 4.00 0.00 1.86 2.28 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.65 7.81 142 I 7.86 3.92 2.20 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.01 1.00 0.00 0.00 143 A 7.87 4.37 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 0.00 144 L 7.83 4.34 0.00 1.75 1.71 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.18 3.84 2.05 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 1.58 0.74 0.93 0.00 0.00 146 E 8.12 4.81 0.00 2.08 1.95 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 2.19 2.23 0.00 147 L 7.83 4.33 0.00 1.57 1.53 0.96 0.90 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 * Residues marked with a * may have inaccurate shift predictions.