NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4067 8.1733 124.0570 55.1807 33.9003 174.0656 3 I 5.3819 8.4763 126.2765 56.8143 38.9468 173.4846 4 S 4.5926 9.2060 119.7574 56.7457 66.1924 173.5770 5 P 5.3017 0.0000 0.0000 61.4078 32.1608 175.7103 *7 L 4.1373 8.4610 122.2231 55.1128 43.0253 177.1597 8 L 3.5693 8.5155 122.1188 58.3205 41.9949 179.6401 9 S 4.1268 7.8707 111.6293 60.9748 63.5590 175.6726 10 D 4.3923 8.1204 121.3043 56.6621 40.3021 178.3720 11 I 3.4700 7.1669 121.1022 64.5453 37.1750 178.0504 12 E 3.9965 8.0206 118.6081 59.5112 29.3063 179.3257 13 Q 3.9998 7.8915 117.6992 58.6823 28.8668 178.6667 14 V 3.5740 7.4978 119.0114 65.8204 31.6167 178.1241 15 V 3.6087 8.1237 118.5133 66.1457 31.1912 177.6489 16 E 3.9293 7.9928 118.6652 59.1077 29.2081 178.5915 17 L 3.9028 8.0607 120.4793 57.9953 42.1642 178.7670 18 E 3.8622 8.2674 118.5385 59.6541 29.2896 179.2258 19 N 4.5127 8.0885 114.9109 56.0308 38.6338 177.4110 20 K 4.0805 7.7312 118.9078 58.8489 32.1310 178.5639 21 T 3.9784 6.9269 114.6475 63.4147 69.3799 175.3816 22 W 4.6386 7.3137 120.9883 56.1225 29.9223 175.5446 23 S 4.8044 8.4030 115.9458 56.4311 65.7624 174.1788 24 E 4.3021 8.7079 118.2508 58.2505 29.0800 178.0906 25 Q 4.2828 7.9431 117.6191 56.9986 29.3884 176.3567 26 N 4.8563 8.0382 114.2351 54.4559 39.9971 175.2480 27 T 4.3807 7.4245 110.1263 60.2724 70.1032 171.2753 28 P 4.3094 0.0000 0.0000 63.3046 32.1128 176.4776 29 V 3.7189 6.7996 119.1584 61.7372 32.0240 173.8340 30 P 4.3687 0.0000 0.0000 62.5078 31.8327 175.8803 31 L 4.6050 8.2164 122.4570 53.0017 42.9478 174.5916 32 P 4.6421 0.0000 0.0000 61.8882 32.2788 177.0405 33 V 3.6549 8.6023 116.0913 63.3285 31.8669 176.3559 34 A 5.5781 8.2011 121.0710 49.7529 21.0697 176.4171 35 S 4.7715 8.2304 115.4743 55.4158 67.7628 175.0925 36 K 3.8039 8.5851 123.1484 59.7687 31.9576 178.2769 37 D 4.2891 8.0608 117.8318 57.4645 41.2043 178.0756 38 Q 4.0443 7.9345 117.5700 59.5644 28.4751 178.6226 39 I 3.8883 7.7521 121.4170 64.0291 37.0669 178.5282 40 I 3.8484 7.8202 120.8908 64.1870 36.8984 178.3109 41 Q 4.1600 8.0568 118.5914 58.9632 28.4910 178.6904 42 K 3.9026 7.9406 118.9157 59.7582 32.0199 178.7323 43 F 4.5506 8.3973 119.2999 61.9774 39.2896 176.9024 44 E 3.9404 8.3070 116.6502 56.6431 29.4806 178.6825 45 S 4.2652 8.2831 112.4377 59.1269 62.7145 174.6805 46 N 4.6665 9.3626 120.1603 52.9272 38.9934 175.3969 47 T 4.5618 7.4397 116.3968 62.3517 70.1472 173.8342 48 H 4.7935 8.3349 123.2841 54.3230 30.6101 173.9919 49 F 5.3277 8.9697 120.4097 55.6969 42.1175 174.0963 50 L 5.1913 9.4454 123.1966 52.9483 44.7961 175.5012 51 V 4.8611 9.0625 122.9125 61.0464 34.6834 173.8797 52 A 4.9838 8.8013 129.8735 50.6950 20.4483 175.9549 53 K 5.0281 8.9881 122.6847 54.5743 35.4008 176.0419 54 I 4.3015 8.9182 127.6741 60.9969 39.2277 176.7168 55 K 3.9227 9.6354 128.0019 55.7931 28.8949 171.5808 56 D 4.5425 8.2782 115.1577 55.3316 38.6918 173.9306 57 K 4.4592 8.0236 120.8165 54.3485 33.2253 176.0136 58 I 4.3612 8.2501 118.2893 61.1220 38.3176 175.9225 59 V 4.4090 9.0312 115.8425 60.7113 33.8044 175.0844 60 G 4.5172 7.7721 106.5889 45.4300 0.0000 172.9083 61 V 5.1414 8.7977 120.9940 59.9507 35.4811 173.3389 62 L 5.3774 9.3462 126.0607 53.2681 45.2138 174.4102 63 D 5.3065 9.0075 126.1482 51.5454 41.9218 174.6902 64 Y 5.4739 8.3387 120.8109 55.5094 41.6536 174.3819 65 S 5.0202 9.0580 114.0672 57.1660 66.8718 173.9351 66 S 4.5422 8.9164 116.8439 59.2283 62.9739 175.7696 67 L 3.8282 8.6839 126.2506 57.2040 42.1142 176.6581 68 Y 4.8177 6.9750 115.2571 55.4210 41.3104 173.9042 69 P 4.4152 0.0000 0.0000 64.6070 32.1761 176.7401 70 F 4.9468 7.1825 112.5863 54.4668 40.0360 174.9224 71 P 4.5357 0.0000 0.0000 65.2374 31.2616 179.0516 72 S 4.2778 8.5545 111.1860 60.4668 63.0386 174.9399 73 G 3.9914 7.8313 109.4321 45.1638 0.0000 174.2412 74 Q 4.2160 8.4272 118.0533 57.4586 29.0913 176.3901 75 H 5.0632 8.0283 114.2919 55.7206 30.1235 174.2666 76 I 5.1522 7.8149 120.7196 59.7382 40.1747 174.7205 77 V 4.3504 8.8504 126.5190 60.0439 34.4427 174.4388 78 T 5.4131 8.8019 116.3219 59.6647 71.4363 171.7821 79 F 5.1607 8.0686 117.0767 56.2798 40.4600 173.2271 80 G 4.2291 9.2288 106.2572 44.4267 0.0000 171.6128 81 I 5.4695 8.4501 120.0867 59.0202 41.5638 174.2988 82 A 4.3913 9.1435 129.6408 50.1640 22.2098 174.7805 83 V 4.5508 8.0924 122.4112 60.5276 33.8676 175.0430 84 A 3.7432 8.6217 129.4950 52.7435 18.7267 177.4224 85 E 3.6823 9.1701 123.7304 59.2902 29.6645 179.2507 86 K 3.9234 7.9895 117.2363 58.6161 32.3363 176.7643 87 E 4.5099 8.1730 116.5250 55.9665 30.1008 176.1714 88 R 4.0411 7.5466 119.6027 56.4279 30.7492 176.8814 89 R 3.7463 8.3623 115.1778 57.3235 27.6662 177.1256 90 K 4.2834 7.6552 114.2567 55.9925 32.3759 177.4965 91 G 3.9627 8.1558 107.3934 46.1504 0.0000 175.5296 92 I 3.8868 7.6473 121.0321 63.4864 37.8810 177.7894 93 G 3.5972 8.0422 106.3513 48.0319 0.0000 175.2957 94 R 3.9677 8.3869 121.2245 58.8609 29.9816 178.3589 95 A 4.0371 7.8755 120.2388 54.9778 18.3252 179.5199 96 L 3.9739 8.2192 117.7873 58.0718 41.6876 180.0145 97 V 3.6339 8.1977 118.3350 66.1618 31.3546 178.0894 98 Q 3.9840 8.6224 118.2514 58.8186 28.6085 178.9186 99 I 3.6808 7.8206 120.9112 64.2542 36.7155 177.8565 100 F 3.9909 8.3719 121.8167 61.4956 39.1731 177.0125 101 L 3.2786 7.9153 118.4906 57.8847 41.2188 179.3955 102 N 4.3666 7.4991 114.4639 55.5604 38.5554 176.8210 103 E 4.0262 7.5924 119.7344 58.0152 30.0247 177.8842 104 V 4.3531 6.7954 109.2050 60.5660 33.0610 177.1310 105 K 4.1197 7.7489 117.6868 58.3391 32.4024 177.4800 106 S 4.5799 7.8295 112.7992 58.5496 64.5621 174.3496 107 D 4.7405 7.9181 118.1794 53.9379 41.4615 174.9386 108 Y 4.9428 7.4459 115.3780 56.9210 41.9041 174.5014 109 Q 4.7347 8.8202 118.3262 55.6861 31.3626 175.3130 110 K 4.7391 7.9040 119.4197 55.3324 35.9226 173.9142 111 V 4.9840 8.8222 127.2905 61.1784 33.7448 174.0768 112 L 5.4663 9.0263 128.7862 53.5840 45.9135 174.9287 113 I 4.5800 8.6815 116.9242 60.1119 41.4430 172.9383 114 H 5.4125 8.6010 119.8357 54.3634 30.8507 174.6585 115 V 4.5535 8.8589 121.7144 60.9790 35.0705 174.5250 116 L 4.7855 8.7077 127.8965 54.8648 42.3063 178.3768 117 S 4.3162 8.7972 117.5512 60.3825 63.2693 175.4182 118 S 4.3271 8.0829 114.6483 59.6923 63.9620 174.0936 119 N 4.8374 8.0175 122.0873 52.3900 37.6142 174.5916 120 Q 4.2026 7.8436 121.3303 57.9683 29.6975 176.2140 121 E 3.8589 8.2304 119.3961 59.7459 29.5495 178.5105 122 A 3.7561 8.2191 120.0465 55.3414 18.4198 179.3259 123 V 3.4537 7.7151 116.1691 66.8111 31.5340 178.3683 124 L 3.9852 8.0542 118.1701 57.6013 41.5100 179.4642 125 F 4.0978 8.2461 120.9787 61.4025 39.3606 176.9185 126 Y 3.7961 8.1079 116.8068 60.6231 37.6706 178.2201 127 K 4.0521 8.2133 119.7517 59.3418 31.9487 179.1156 128 K 3.8996 7.8139 118.7337 59.5266 32.2115 178.1837 129 L 4.2747 7.2794 115.8517 55.2929 41.6414 177.7797 130 G 4.1114 7.9327 107.1844 45.4913 0.0000 173.6391 131 F 4.6954 8.4590 117.5685 57.4038 39.7265 174.7918 132 D 5.0384 9.0993 122.4431 52.6029 43.3120 175.8952 133 L 3.4291 8.5567 124.0334 55.1799 41.3806 175.8730 134 E 4.2243 8.9389 129.3041 58.8236 30.4269 176.3128 135 A 4.5615 7.3474 118.1181 50.8353 22.8938 175.4679 136 R 4.8824 8.3669 119.2538 54.5707 32.8025 174.7865 137 L 4.4076 9.3354 128.7818 53.9343 42.8017 176.1814 138 T 4.4990 8.5167 119.7706 61.8984 68.2898 174.4193 139 K 3.9713 9.1647 128.2312 57.5118 30.3703 176.6024 140 Q 3.8339 8.2423 120.3995 58.2136 29.6611 175.8987 141 F 4.9981 8.3324 115.4124 55.4741 42.6840 173.4443 142 F 5.1016 9.0607 126.4971 56.4552 40.0372 174.8155 143 L 4.4974 7.9658 128.3512 53.9859 45.1628 177.1943 144 K 3.5811 9.5337 122.4434 57.5696 29.4885 176.1709 145 G 3.8578 7.8552 103.8242 45.5935 0.0000 173.3899 146 Q 4.5505 6.8030 117.4637 53.8725 32.7599 173.9777 147 Y 5.0866 8.4614 117.5100 58.0363 39.2093 175.1661 148 V 4.6785 9.2597 121.6965 61.4188 35.8174 174.2707 149 D 5.2222 8.8524 125.3480 53.5820 43.2087 174.9312 150 D 5.1534 9.1351 121.5752 52.9387 43.0758 174.8826 151 L 5.0425 8.9757 126.8836 53.3329 44.1425 175.5611 152 I 4.7389 8.6497 124.7366 59.8747 39.4263 174.2927 153 Y 5.2740 8.7896 124.8012 56.3173 41.0063 175.0128 154 S 5.3268 9.4171 116.2220 56.9935 67.3723 171.9804 155 Y 4.3265 8.6262 121.9788 55.7574 41.5769 174.0550 156 D 4.7184 7.8680 126.7326 52.8632 40.7755 175.4831 157 L 4.3954 8.3275 122.6245 55.1826 42.0558 177.3659 158 E 4.2345 8.5665 125.4245 56.4575 29.7555 175.7539 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 K 8.17 4.41 0.00 1.47 1.78 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 3 I 8.48 5.38 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.57 0.97 0.00 0.00 4 S 9.21 4.59 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 5.30 0.00 2.05 2.12 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 *7 L 8.46 4.14 0.00 1.69 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.52 3.57 0.00 1.80 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.87 4.13 0.00 3.98 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 10 D 8.12 4.39 0.00 2.79 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 11 I 7.17 3.47 1.76 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.19 0.75 0.00 0.00 12 E 8.02 4.00 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 13 Q 7.89 4.00 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 14 V 7.50 3.57 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 1.01 0.00 0.00 0.89 0.00 0.00 15 V 8.12 3.61 2.18 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 0.94 0.00 0.00 0.97 0.00 0.00 16 E 7.99 3.93 0.00 2.33 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 2.28 2.33 0.00 17 L 8.06 3.90 0.00 1.76 1.80 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.27 3.86 0.00 2.33 2.35 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 2.44 2.72 0.00 19 N 8.09 4.51 0.00 2.72 2.91 0.00 0.00 7.14 6.89 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 20 K 7.73 4.08 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 21 T 6.93 3.98 3.45 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 0.49 0.00 0.00 22 W 7.31 4.64 0.00 3.30 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 23 S 8.40 4.80 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.71 4.30 0.00 1.95 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 2.28 2.32 0.00 25 Q 7.94 4.28 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 26 N 8.04 4.86 0.00 3.21 3.40 0.00 0.00 6.70 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 27 T 7.42 4.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 P 0.00 4.31 0.00 1.54 1.04 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.00 29 V 6.80 3.72 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.78 0.00 0.00 30 P 0.00 4.37 0.00 2.07 1.96 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 31 L 8.22 4.61 0.00 1.64 1.62 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.64 0.00 2.06 2.00 0.00 3.68 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 2.02 2.11 0.00 33 V 8.60 3.65 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.88 0.00 0.00 34 A 8.20 5.58 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 35 S 8.23 4.77 0.00 3.99 3.91 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 0.00 0.00 0.00 36 K 8.59 3.80 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 37 D 8.06 4.29 0.00 2.75 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 38 Q 7.93 4.04 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 39 I 7.75 3.89 1.80 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 1.63 0.79 0.51 0.00 0.00 40 I 7.82 3.85 2.11 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 1.49 1.06 1.01 0.00 0.00 41 Q 8.06 4.16 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 42 K 7.94 3.90 0.00 2.25 2.14 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 43 F 8.40 4.55 0.00 2.96 3.32 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 44 E 8.31 3.94 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 45 S 8.28 4.27 0.00 4.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.36 4.67 0.00 2.87 2.99 0.00 0.00 5.86 7.71 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 47 T 7.44 4.56 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 0.64 0.00 0.00 48 H 8.33 4.79 0.00 1.40 2.88 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.97 5.33 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.45 5.19 0.00 1.67 1.66 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.06 4.86 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 1.06 0.00 0.00 0.98 0.00 0.00 52 A 8.80 4.98 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 53 K 8.99 5.03 0.00 1.74 1.69 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 54 I 8.92 4.30 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.90 0.00 0.00 55 K 9.64 3.92 0.00 1.88 1.70 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.01 7.81 56 D 8.28 4.54 0.00 2.82 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 57 K 8.02 4.46 0.00 1.94 1.70 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.37 7.81 58 I 8.25 4.36 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.92 0.00 0.00 59 V 9.03 4.41 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 0.67 0.00 0.00 0.98 0.00 0.00 60 G 7.77 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.80 5.14 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 0.70 0.00 0.00 1.20 0.00 0.00 62 L 9.35 5.38 0.00 1.78 1.62 0.86 1.23 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 63 D 9.01 5.31 0.00 1.71 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 0.00 0.00 0.00 64 Y 8.34 5.47 0.00 3.25 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 65 S 9.06 5.02 0.00 3.90 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 66 S 8.92 4.54 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.68 3.83 0.00 1.31 1.24 0.65 0.52 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 68 Y 6.97 4.82 0.00 2.74 1.50 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 69 P 0.00 4.42 0.00 2.23 2.21 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 70 F 7.18 4.95 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 71 P 0.00 4.54 0.00 2.28 2.19 0.00 4.10 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 72 S 8.55 4.28 0.00 4.07 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 0.00 73 G 7.83 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 74 Q 8.43 4.22 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 75 H 8.03 5.06 0.00 3.45 3.59 0.00 5.20 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.81 5.15 1.89 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 1.32 0.45 0.93 0.00 0.00 77 V 8.85 4.35 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 0.00 0.00 0.52 0.00 0.00 0.84 0.00 0.00 78 T 8.80 5.41 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 79 F 8.07 5.16 0.00 2.86 2.43 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 80 G 9.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.45 5.47 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.18 0.98 0.00 0.00 82 A 9.14 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.09 4.55 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 0.72 0.00 0.00 0.78 0.00 0.00 84 A 8.62 3.74 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 85 E 9.17 3.68 0.00 1.89 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 2.32 2.26 0.00 86 K 7.99 3.92 0.00 1.70 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 E 8.17 4.51 0.00 1.87 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 2.20 2.35 0.00 88 R 7.55 4.04 0.00 1.81 1.74 0.00 3.15 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 89 R 8.36 3.75 0.00 1.92 1.99 0.00 3.32 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 90 K 7.66 4.28 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.55 7.81 91 G 8.16 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 92 I 7.65 3.89 1.87 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 1.55 1.57 0.88 0.00 0.00 93 G 8.04 3.60 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 0.00 0.00 0.00 94 R 8.39 3.97 0.00 1.96 2.03 0.00 3.18 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 95 A 7.88 4.04 1.41 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 0.00 0.00 0.00 96 L 8.22 3.97 0.00 1.94 1.81 0.95 1.16 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 97 V 8.20 3.63 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 1.13 0.00 0.00 1.20 0.00 0.00 98 Q 8.62 3.98 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 99 I 7.82 3.68 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.96 0.00 0.00 100 F 8.37 3.99 0.00 2.92 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 0.00 101 L 7.92 3.28 0.00 1.78 1.47 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.50 4.37 0.00 2.56 2.81 0.00 0.00 7.05 7.59 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 0.00 103 E 7.59 4.03 0.00 2.01 1.81 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 2.38 2.36 0.00 104 V 6.80 4.35 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 0.44 0.00 0.00 0.16 0.00 0.00 105 K 7.75 4.12 0.00 1.86 2.01 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.34 7.81 106 S 7.83 4.58 0.00 3.93 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 0.00 107 D 7.92 4.74 0.00 2.21 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 0.00 108 Y 7.45 4.94 0.00 3.00 2.74 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 0.00 109 Q 8.82 4.73 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 110 K 7.90 4.74 0.00 1.86 1.64 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 111 V 8.82 4.98 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 1.55 0.00 0.00 0.99 0.00 0.00 112 L 9.03 5.47 0.00 1.72 1.41 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.68 4.58 1.53 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.38 0.51 0.00 0.00 114 H 8.60 5.41 0.00 3.00 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.86 4.55 2.35 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 1.23 0.00 0.00 1.00 0.00 0.00 116 L 8.71 4.79 0.00 1.70 1.63 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.80 4.32 0.00 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.08 4.33 0.00 4.02 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 0.00 119 N 8.02 4.84 0.00 2.95 2.95 0.00 0.00 6.70 7.48 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 0.00 120 Q 7.84 4.20 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 121 E 8.23 3.86 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 122 A 8.22 3.76 1.46 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 0.00 123 V 7.72 3.45 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 1.20 0.00 0.00 1.18 0.00 0.00 124 L 8.05 3.99 0.00 1.88 1.72 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.25 4.10 0.00 2.86 2.78 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 0.00 126 Y 8.11 3.80 0.00 2.53 2.38 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 0.00 127 K 8.21 4.05 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.61 1.63 7.81 128 K 7.81 3.90 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 129 L 7.28 4.27 0.00 1.51 1.77 0.33 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.93 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.46 4.70 0.00 3.17 3.29 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 0.00 132 D 9.10 5.04 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.56 3.43 0.00 1.50 1.54 0.14 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.94 4.22 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 2.29 2.24 0.00 135 A 7.35 4.56 1.17 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 0.00 136 R 8.37 4.88 0.00 1.75 1.78 0.00 3.24 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 137 L 9.34 4.41 0.00 1.60 1.69 0.95 0.57 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 0.00 138 T 8.52 4.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 139 K 9.16 3.97 0.00 1.71 1.46 0.00 0.91 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.26 7.81 140 Q 8.24 3.83 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 6.72 0.00 0.00 0.00 0.00 0.00 2.05 1.26 0.00 141 F 8.33 5.00 0.00 3.17 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 0.00 142 F 9.06 5.10 0.00 2.75 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 0.00 143 L 7.97 4.50 0.00 1.54 1.37 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.53 3.58 0.00 1.73 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.55 7.81 145 G 7.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 6.80 4.55 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 147 Y 8.46 5.09 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 9.26 4.68 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 1.11 0.00 0.00 0.98 0.00 0.00 149 D 8.85 5.22 0.00 2.74 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 0.00 150 D 9.14 5.15 0.00 2.99 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 0.00 151 L 8.98 5.04 0.00 1.87 1.44 1.12 0.89 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 0.00 152 I 8.65 4.74 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.76 0.83 0.00 0.00 153 Y 8.79 5.27 0.00 2.82 3.04 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 0.00 154 S 9.42 5.33 0.00 3.86 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 0.00 155 Y 8.63 4.33 0.00 1.47 2.38 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 0.00 156 D 7.87 4.72 0.00 2.53 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 0.00 157 L 8.33 4.40 0.00 1.63 1.72 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.57 4.23 0.00 2.10 1.79 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 2.23 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.