NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2580 8.1593 117.3738 63.5812 69.7225 174.1010 2 S 4.4471 8.3420 121.8917 55.8613 66.7250 173.2428 3 K 4.0511 9.1378 122.9611 59.5450 32.3111 179.6799 4 K 3.8998 8.0422 118.2742 59.5681 31.8309 178.9988 5 K 3.9910 7.6845 117.9396 58.9984 32.0873 177.9144 6 R 4.3763 7.3838 115.5654 56.4995 30.6176 177.8652 7 Q 4.0702 8.0579 120.2170 57.3326 28.5277 176.5466 8 R 4.0578 7.5060 118.9943 58.0802 30.2826 176.7601 9 G 4.0232 9.1135 111.8158 45.2024 0.0000 173.9319 10 S 4.2098 7.9606 113.2297 58.2790 63.4784 174.0948 11 R 4.1038 7.8629 124.3945 57.4496 29.2820 176.5453 12 T 4.2826 7.6046 105.0027 61.4250 69.6815 174.2217 13 H 4.6381 8.4348 117.6659 55.9690 26.7156 175.7852 14 G 3.9322 8.3635 105.0460 45.8289 0.0000 175.5635 15 G 3.7278 8.3269 107.9743 45.6716 0.0000 175.9611 16 G 3.9503 7.3508 107.1523 45.1366 0.0000 174.5098 17 S 4.2255 8.5170 117.9335 58.4127 62.7912 174.6938 18 H 4.4065 8.7864 121.1070 57.2634 28.4206 175.9212 19 K 4.0760 7.7171 119.1015 56.8910 31.5756 177.4566 20 N 4.3585 7.4048 117.6380 55.4035 39.1506 176.8747 21 R 4.5280 7.5389 122.3092 56.7671 28.8880 177.8225 22 R 4.6400 7.4184 123.4798 56.3065 31.1045 179.7025 23 G 4.0433 8.4970 119.6197 45.5168 0.0000 173.2235 24 A 4.3544 8.6262 122.4378 53.6711 18.5478 179.7819 25 G 3.6414 7.9700 104.8887 47.8683 0.0000 175.4113 26 H 4.3679 7.9029 119.3282 58.5270 29.9208 176.7413 27 R 4.3424 7.9368 117.7433 55.8363 30.4855 176.7371 28 G 3.7755 7.4186 106.7016 46.6269 0.0000 173.3238 29 G 4.0218 8.2258 105.4956 44.0368 0.0000 174.4375 30 R 4.2834 8.5872 118.2690 56.2711 32.0573 176.5782 31 G 3.8093 8.1641 110.6885 47.5396 0.0000 173.8109 32 D 4.6974 8.6942 124.9481 53.7207 40.6222 175.4930 33 A 3.8956 7.4603 122.1560 54.0733 18.7592 178.5726 34 G 3.8519 8.9904 108.5714 46.1953 0.0000 175.3912 35 R 3.8934 7.6509 116.0018 57.3923 29.2033 177.2465 36 D 5.1000 7.8574 115.5585 52.7165 42.2571 174.9717 37 K 4.4952 8.8603 116.9998 57.5487 32.4210 177.2632 38 H 4.5783 9.8519 123.1905 58.3528 29.5828 176.5773 39 E 4.7182 7.6835 119.8069 55.6147 30.0372 177.8997 40 F 4.7048 8.2606 115.4593 59.1131 38.2633 175.3941 41 H 3.6207 6.3388 119.1412 57.0529 28.9019 174.9117 42 N 4.2151 8.7360 120.8119 55.0224 35.8773 173.9634 43 H 4.9260 7.9189 112.4892 53.5647 32.5231 174.0038 44 E 4.1346 8.7727 123.4366 55.3296 29.9588 175.2626 45 P 4.3901 0.0000 0.0000 62.8007 31.6869 176.1451 46 L 4.0862 8.1504 119.4639 55.3111 42.1948 175.8770 47 G 4.2519 8.1267 105.8164 43.5663 0.0000 173.3085 48 K 4.5364 8.2272 119.7611 54.5533 33.8262 176.4547 49 S 4.4091 8.0891 116.5519 57.3606 65.0302 174.9964 50 G 4.0493 9.0755 118.3375 45.0160 0.0000 171.4050 51 F 5.0414 8.4522 112.6846 55.2987 41.1614 173.4038 52 K 4.2831 8.3402 119.0549 54.4736 35.1162 176.4789 53 R 4.5457 8.0302 121.1825 53.9272 31.6722 174.7263 54 P 4.3249 0.0000 0.0000 63.0369 31.6558 177.3209 55 Q 3.9275 8.9487 121.6611 58.7965 28.7486 178.3316 56 K 4.3035 7.9855 113.9579 57.3864 33.0584 177.1342 57 V 4.2159 7.8750 118.6731 62.7658 31.9911 174.7733 58 Q 4.5049 7.6140 118.3877 55.1537 29.7611 174.9573 59 E 4.4785 8.5858 122.3204 55.0395 31.2973 175.2255 60 E 4.5254 8.4616 122.3946 54.3781 32.2923 174.2509 61 A 4.1985 8.3446 128.7094 50.7830 20.3859 175.9556 62 A 4.4666 8.5404 123.9012 50.9261 20.3236 176.8338 63 T 5.2869 8.0949 112.5151 59.8697 71.8796 173.8713 64 I 4.3213 7.7029 119.7908 60.4402 41.5495 173.2710 65 D 5.6580 8.5155 128.2644 52.7664 42.3274 177.7677 66 V 3.6538 8.4451 115.4959 64.7213 31.4710 178.6168 67 R 3.9126 7.8200 118.1619 59.6793 29.5323 178.1716 68 E 3.9191 7.9795 117.9596 59.2327 29.8747 178.5481 69 I 3.7682 7.6260 119.3838 64.4731 37.3060 177.5000 70 D 4.2375 8.6963 118.9935 57.6930 40.8035 178.2663 71 E 4.2676 8.0721 117.2193 57.9582 29.5861 177.2565 72 N 4.9552 7.8852 116.1129 52.8920 39.7013 176.7250 73 V 3.2283 7.8615 113.4675 64.6917 31.6487 177.8358 74 T 3.9964 7.6077 107.7794 64.6574 68.7263 175.5047 75 L 4.0520 7.7894 120.8037 57.1260 42.3486 177.6141 76 L 4.3528 7.8273 120.3289 54.0951 40.8069 178.2288 77 A 4.0534 7.7180 121.1849 54.8032 19.0344 178.7946 78 A 4.3606 7.9566 116.2951 52.7919 18.4747 176.6811 79 D 4.8382 7.2731 116.5902 53.3980 44.4083 175.5121 80 D 4.1951 7.2804 120.9106 52.9981 40.0539 176.4423 81 V 4.6263 8.0425 124.7668 61.1429 30.7848 174.7734 82 A 4.3061 7.5204 125.1181 50.7119 20.4424 177.7306 83 E 3.6821 8.7385 114.8980 58.8198 29.8350 176.8571 *89 F 4.7962 7.8319 118.3742 57.6347 40.7016 173.6899 90 R 5.2458 8.9540 124.0620 54.4512 32.7456 174.9458 91 V 4.4946 8.8244 125.2060 60.1869 35.4206 174.0276 92 D 5.0044 8.7843 124.3149 52.7862 40.9254 176.4154 93 V 3.6235 8.6992 128.8252 66.0936 31.7024 178.3148 94 R 3.8835 8.1155 117.4208 59.3566 29.8769 176.9651 95 D 4.6108 8.0896 114.6699 54.8941 41.3588 176.9558 96 V 4.0213 8.1681 119.1274 64.3188 32.5288 176.5511 97 V 3.6181 7.5434 118.4911 62.7182 31.6838 175.4730 98 E 4.2152 8.5790 126.6049 56.3087 30.2201 175.4412 99 E 3.7375 8.4604 115.7741 57.6582 26.9873 175.8467 100 A 4.3982 7.9237 120.6318 53.3254 19.9337 179.4279 101 D 4.4366 8.0500 116.3694 57.6705 41.0614 177.7502 102 D 4.6357 7.9951 114.3383 53.7634 39.6088 175.7681 103 A 4.4826 7.1728 121.8353 51.2880 20.1293 177.3815 104 D 4.6798 8.9232 121.1213 57.1522 41.9722 175.7752 105 Y 4.6714 7.1814 113.7127 56.4268 40.8859 172.7921 106 V 4.6385 9.1229 121.2555 61.1902 33.8024 174.2625 107 K 4.7500 8.9060 129.4579 54.5500 35.4334 174.6326 108 V 4.4274 8.5192 127.8340 61.7195 32.8414 175.0159 109 L 4.7096 9.3593 129.2262 53.1507 43.8682 176.7841 110 G 4.5034 8.2208 107.5483 45.1194 0.0000 172.7443 111 A 4.6987 8.1554 121.7665 51.4528 22.0319 177.9556 112 G 3.9460 8.9735 107.9635 44.6485 0.0000 172.4432 113 Q 4.5011 8.1298 117.1788 54.5012 30.4991 176.3619 114 V 4.6056 7.6882 117.5286 60.4420 31.8628 174.2814 115 R 4.4775 8.6715 125.1944 55.9755 30.2717 176.0304 116 H 4.8548 7.8198 113.4761 54.4104 32.8420 172.8051 117 E 4.6608 8.7885 119.5239 55.6070 30.2588 175.3560 118 L 5.0472 8.5437 124.5084 53.2423 45.3637 175.9965 119 T 5.4570 8.5796 119.6140 61.0697 69.8106 172.2118 120 L 5.0809 8.2192 125.7893 53.5790 44.0906 175.3971 121 I 5.7083 8.9058 123.4955 58.9289 40.0386 174.6136 122 A 4.8396 8.5888 127.0379 50.8373 22.3820 176.3190 123 D 4.4886 8.7309 118.2240 57.2970 42.1765 176.1584 124 D 4.7376 7.6287 116.2394 53.2980 45.0806 174.2675 125 F 5.4020 8.6736 121.0329 55.7962 43.2879 174.4958 126 S 4.6049 8.6830 116.0524 57.4427 64.7982 174.6555 127 E 4.0371 9.1768 121.8967 59.8774 29.1946 179.6549 128 G 3.6015 8.1135 104.7344 47.5944 0.0000 175.3480 129 A 4.0707 7.9715 123.1381 54.9005 18.4122 179.7108 130 R 3.7081 8.2093 117.0785 59.5898 30.1581 178.2115 131 E 3.9493 8.1826 118.3354 59.8045 29.7378 179.7966 132 K 3.9313 8.2064 118.0076 59.2800 32.0761 179.7497 133 V 3.6925 7.5218 118.4744 66.0919 31.5946 178.0322 134 E 4.7459 7.7584 119.8537 58.9131 29.1091 179.4521 135 G 3.7689 8.3606 104.1735 46.4354 0.0000 174.4272 136 A 4.6624 7.1798 120.8223 51.1685 19.7668 176.6446 137 G 3.7066 8.2299 106.3394 47.9895 0.0000 173.4225 138 G 4.4582 7.9979 105.8735 44.2257 0.0000 172.2098 139 S 5.0723 8.8522 112.6962 56.3879 66.9533 173.2700 140 V 4.4439 8.1864 120.2616 61.1289 33.6451 174.3339 141 E 4.5928 9.3066 128.3963 54.3917 31.5302 175.0615 142 L 4.9677 8.5271 127.7688 54.8501 42.6146 176.7704 143 T 4.1622 8.6992 123.0412 63.4927 69.7185 175.2733 144 D 4.5340 8.8160 122.5976 57.4689 40.5195 178.9964 145 L 4.0348 7.8746 119.7782 58.0881 42.4089 178.8329 146 G 3.9199 7.4652 103.2348 45.9673 0.0000 173.6391 147 E 4.4125 7.6027 121.8401 55.8862 28.0868 176.1075 148 E 4.5023 7.5836 117.8228 57.2289 32.4210 177.6182 149 R 4.1639 7.8858 117.8470 55.2797 27.9256 176.2344 150 Q 4.2905 7.9549 121.7250 56.7493 29.2596 173.2940 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 1 T 8.16 4.26 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 2 S 8.34 4.45 0.00 4.09 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 3 K 9.14 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.04 3.90 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 K 7.68 3.99 0.00 1.69 2.00 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.38 4.38 0.00 1.96 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 Q 8.06 4.07 0.00 1.95 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 8 R 7.51 4.06 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.96 4.21 0.00 3.97 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 11 R 7.86 4.10 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.27 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.60 4.28 4.34 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 1.31 0.00 0.00 13 H 8.43 4.64 0.00 3.30 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.36 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 15 G 8.33 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.35 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 17 S 8.52 4.23 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.79 4.41 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.72 4.08 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.31 7.81 20 N 7.40 4.36 0.00 2.87 2.56 0.00 0.00 6.94 7.87 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 21 R 7.54 4.53 0.00 1.81 1.93 0.00 3.18 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 22 R 7.42 4.64 0.00 1.74 1.10 0.00 3.24 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.50 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 24 A 8.63 4.35 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 25 G 7.97 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 26 H 7.90 4.37 0.00 3.17 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.94 4.34 0.00 2.08 1.96 0.00 3.29 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 28 G 7.42 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 0.00 0.00 0.00 29 G 8.23 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.59 4.28 0.00 1.89 1.86 0.00 3.28 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 31 G 8.16 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 0.00 0.00 0.00 32 D 8.69 4.70 0.00 2.73 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 33 A 7.46 3.90 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 34 G 8.99 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 35 R 7.65 3.89 0.00 1.56 2.01 0.00 2.74 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 36 D 7.86 5.10 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.86 4.50 0.00 1.78 1.63 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.85 4.58 0.00 3.33 3.46 0.00 5.48 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 39 E 7.68 4.72 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 2.27 2.11 0.00 40 F 8.26 4.70 0.00 3.08 3.27 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 41 H 6.34 3.62 0.00 2.94 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.74 4.22 0.00 2.79 2.83 0.00 0.00 6.84 8.16 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 43 H 7.92 4.93 0.00 3.29 3.18 0.00 5.90 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 44 E 8.77 4.13 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.39 0.00 2.19 2.10 0.00 3.80 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 2.01 2.03 0.00 46 L 8.15 4.09 0.00 1.66 1.65 0.91 0.94 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 47 G 8.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.23 4.54 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.09 4.41 0.00 3.77 3.70 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 50 G 9.08 4.05 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 0.00 0.00 0.00 51 F 8.45 5.04 0.00 3.13 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 52 K 8.34 4.28 0.00 1.68 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.34 7.81 53 R 8.03 4.55 0.00 1.76 1.88 0.00 3.33 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.50 0.00 54 P 0.00 4.32 0.00 2.23 2.22 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.95 3.93 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.02 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 56 K 7.99 4.30 0.00 1.87 1.92 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 57 V 7.87 4.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.61 4.50 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 59 E 8.59 4.48 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 60 E 8.46 4.53 0.00 1.95 1.72 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 2.16 2.21 0.00 61 A 8.34 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.54 4.47 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 63 T 8.09 5.29 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 1.13 0.00 0.00 64 I 7.70 4.32 1.83 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 1.32 1.22 0.91 0.00 0.00 65 D 8.52 5.66 0.00 2.74 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 66 V 8.45 3.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 67 R 7.82 3.91 0.00 1.91 2.02 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.98 3.92 0.00 2.01 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 0.00 2.30 2.32 0.00 69 I 7.63 3.77 1.98 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 1.51 0.61 0.89 0.00 0.00 70 D 8.70 4.24 0.00 2.80 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 71 E 8.07 4.27 0.00 2.03 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 2.34 2.55 0.00 72 N 7.89 4.96 0.00 2.63 2.69 0.00 0.00 6.82 8.28 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 73 V 7.86 3.23 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 0.34 0.00 0.00 0.32 0.00 0.00 74 T 7.61 4.00 4.26 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 1.23 0.00 0.00 75 L 7.79 4.05 0.00 1.74 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.83 4.35 0.00 1.82 1.61 0.86 0.93 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 77 A 7.72 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.96 4.36 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 79 D 7.27 4.84 0.00 2.72 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 80 D 7.28 4.20 0.00 3.12 2.66 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 0.00 0.00 0.00 0.00 81 V 8.04 4.63 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 0.53 0.00 0.00 1.07 0.00 0.00 82 A 7.52 4.31 1.24 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 0.00 0.00 83 E 8.74 3.68 0.00 2.05 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 2.26 2.35 0.00 *89 F 7.83 4.80 0.00 3.31 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.95 5.25 0.00 1.83 1.81 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 91 V 8.82 4.49 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 0.71 0.00 0.00 0.95 0.00 0.00 92 D 8.78 5.00 0.00 2.80 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 93 V 8.70 3.62 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 0.85 0.00 0.00 0.96 0.00 0.00 94 R 8.12 3.88 0.00 2.00 2.00 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 95 D 8.09 4.61 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.17 4.02 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 0.93 0.00 0.00 97 V 7.54 3.62 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 0.81 0.00 0.00 0.95 0.00 0.00 98 E 8.58 4.22 0.00 1.97 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 2.29 2.31 0.00 99 E 8.46 3.74 0.00 2.04 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 2.20 2.26 0.00 100 A 7.92 4.40 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 0.00 101 D 8.05 4.44 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.00 4.64 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.17 4.48 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 0.00 104 D 8.92 4.68 0.00 2.88 2.89 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 0.00 105 Y 7.18 4.67 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.12 4.64 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 0.84 0.00 0.00 0.90 0.00 0.00 107 K 8.91 4.75 0.00 1.96 1.55 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.48 7.81 108 V 8.52 4.43 1.72 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 1.03 0.00 0.00 0.64 0.00 0.00 109 L 9.36 4.71 0.00 1.74 1.59 0.91 0.03 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 0.00 110 G 8.22 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.16 4.70 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 0.00 112 G 8.97 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 0.00 113 Q 8.13 4.50 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 114 V 7.69 4.61 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 1.11 0.00 0.00 0.96 0.00 0.00 115 R 8.67 4.48 0.00 1.80 1.86 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 116 H 7.82 4.85 0.00 3.21 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.79 4.66 0.00 2.19 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 2.30 2.39 0.00 118 L 8.54 5.05 0.00 1.65 1.64 0.98 0.72 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 0.00 119 T 8.58 5.46 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 1.23 0.00 0.00 120 L 8.22 5.08 0.00 1.88 1.86 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.91 5.71 2.08 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 1.18 0.81 1.09 0.00 0.00 122 A 8.59 4.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.73 4.49 0.00 2.93 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 0.00 124 D 7.63 4.74 0.00 2.68 2.53 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 0.00 125 F 8.67 5.40 0.00 2.88 2.91 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 0.00 126 S 8.68 4.60 0.00 3.98 4.03 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 0.00 0.00 0.00 0.00 127 E 9.18 4.04 0.00 2.08 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 0.00 2.51 2.42 0.00 128 G 8.11 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 0.00 129 A 7.97 4.07 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 0.00 0.00 0.00 0.00 0.00 130 R 8.21 3.71 0.00 1.87 2.10 0.00 3.09 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 131 E 8.18 3.95 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 132 K 8.21 3.93 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.52 3.69 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 1.08 0.00 0.00 1.07 0.00 0.00 134 E 7.76 4.75 0.00 2.03 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 2.28 2.12 0.00 135 G 8.36 3.77 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 0.00 0.00 0.00 136 A 7.18 4.66 1.52 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 0.00 137 G 8.23 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.00 4.46 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 0.00 139 S 8.85 5.07 0.00 3.82 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 0.00 140 V 8.19 4.44 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.30 0.00 0.00 141 E 9.31 4.59 0.00 1.94 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 2.22 2.21 0.00 142 L 8.53 4.97 0.00 1.71 1.63 1.25 1.13 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 0.00 143 T 8.70 4.16 4.36 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 1.24 0.00 0.00 144 D 8.82 4.53 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.87 4.03 0.00 1.64 1.83 0.95 0.97 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 0.00 146 G 7.47 3.92 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 0.00 0.00 0.00 147 E 7.60 4.41 0.00 2.19 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 2.35 2.48 0.00 148 E 7.58 4.50 0.00 1.83 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 2.14 2.44 0.00 149 R 7.89 4.16 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 150 Q 7.95 4.29 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.