NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8874 0.0000 0.0000 62.8029 33.5199 174.1145 2 I 4.9245 8.1956 119.0027 58.0963 40.1164 170.3140 3 V 4.5542 9.0740 125.3557 60.0636 35.8854 173.3947 4 Q 5.0035 8.5638 122.7910 54.8591 30.4851 175.2178 5 N 4.8002 8.9271 124.6557 51.5026 39.5566 175.3994 6 L 4.1340 8.2730 116.6424 57.1052 41.7695 178.1505 7 Q 4.0967 8.1386 116.3117 56.5643 29.0985 176.7226 8 G 3.9404 8.3838 106.3948 45.0017 0.0000 173.2958 9 Q 4.5262 8.2879 118.7612 54.8491 31.0672 174.6483 10 M 4.8677 8.4101 121.4087 54.8764 33.0444 176.0209 11 V 4.6023 8.8747 116.4119 59.4575 36.8968 174.2325 12 H 4.8515 8.7757 121.6323 56.2820 30.5722 173.9878 13 Q 4.6170 8.3798 125.7042 54.0318 31.1184 175.2280 14 A 4.2551 8.5578 128.7885 51.2784 19.4258 177.0223 15 I 3.6906 8.2225 120.9637 61.7093 37.6981 177.3844 16 S 4.4104 8.4651 120.0699 57.2211 65.1923 173.2885 17 P 4.2377 0.0000 0.0000 66.1575 31.1482 179.0424 18 R 3.9512 7.9951 115.9430 59.5809 29.9347 179.1192 19 T 3.8800 7.9626 115.3137 66.6248 68.4681 176.5653 20 L 4.0788 8.1796 122.3438 58.1443 42.2190 178.4073 21 N 4.2872 8.6419 116.7533 56.5936 38.4679 177.1857 22 A 4.0411 8.1534 121.8224 54.8535 18.3751 179.5241 23 W 4.3107 8.5951 127.1787 60.5339 30.8087 178.1803 24 V 3.3100 8.0043 118.3571 66.1031 30.9780 178.2003 25 K 3.9212 7.8777 117.7427 59.3079 31.7728 179.5487 26 V 3.4464 7.9255 118.8385 65.8036 31.4057 178.2059 27 V 2.8928 7.2717 118.1760 65.9374 31.0770 177.7336 28 E 3.7868 8.0916 117.1047 59.1047 29.3176 178.3374 29 E 4.2415 7.7608 117.4322 56.9874 30.3391 176.6467 30 K 4.3300 8.0893 115.9249 55.5435 34.4743 175.8953 31 A 3.2218 7.5185 122.8530 51.7383 19.0447 178.0357 32 F 4.5135 6.1333 121.7812 56.0027 39.4924 175.1890 33 S 4.6304 8.1660 117.6099 57.2682 64.1986 174.3376 34 P 4.3411 0.0000 0.0000 66.1472 29.1868 178.3114 35 E 4.0656 8.3424 118.1154 59.2000 29.2750 179.3996 36 V 3.9965 7.9660 119.2887 64.5030 31.2709 178.6327 37 I 3.8371 7.8791 120.7133 64.1018 37.0812 176.5452 38 P 4.2929 0.0000 0.0000 65.7685 31.0210 178.7260 39 M 4.1000 7.7017 116.5321 58.3276 31.9533 178.2822 40 F 4.0138 8.9176 121.2468 61.6090 39.3021 177.2569 41 S 3.8459 8.2476 113.3403 61.4320 62.9095 176.4145 42 A 4.0493 7.8867 123.2571 55.1725 18.0816 179.7460 43 L 4.0187 7.9708 116.3769 56.8643 41.8644 178.7158 44 S 4.2240 7.3135 113.1893 56.6774 63.0540 173.3291 45 E 3.7642 7.1754 124.1493 58.1999 29.6226 177.1413 46 G 3.8078 8.9233 112.8185 45.5367 0.0000 172.7667 47 A 4.1323 7.8144 123.4177 51.8613 18.9420 178.8786 48 T 4.2739 8.8628 113.5219 60.4928 71.1567 174.1049 49 P 4.4973 0.0000 0.0000 66.1300 31.2743 178.5938 50 Q 3.9943 8.6776 118.2061 59.4481 28.9085 178.1946 51 D 4.4022 8.1151 119.7671 57.2433 40.7188 178.6976 52 L 3.8787 8.2843 119.9070 58.0167 41.6263 179.4261 53 N 4.4576 8.5655 116.4285 56.4120 38.1925 177.7082 54 T 3.9320 7.7712 116.6204 66.8285 68.7356 176.2000 55 M 4.2978 8.2494 120.7408 58.5912 31.8460 178.8483 56 L 4.2212 8.3200 119.3276 57.7696 41.6158 178.5730 57 N 4.8056 8.2082 113.4632 54.5046 38.8404 176.8123 58 T 4.3927 7.7624 117.7215 64.5899 68.7589 174.8048 59 V 3.6309 7.5089 121.0591 62.8272 31.4941 175.2252 60 G 4.0462 8.5318 116.6706 44.7965 0.0000 174.8387 61 G 3.7188 8.5415 110.4160 46.6505 0.0000 172.5666 62 H 4.2987 8.5330 110.6859 56.6955 26.8291 176.7943 63 Q 4.0678 8.1070 118.3899 59.1053 28.8320 177.0150 64 A 3.9854 8.0808 122.2260 55.0285 18.4441 179.2115 65 A 3.9825 8.1271 118.8083 55.6921 18.4284 179.6643 66 M 3.9554 8.3801 117.3174 58.3486 31.9894 178.7818 67 Q 3.9438 8.2571 119.9169 59.4117 29.2050 178.0167 68 M 4.0387 8.1212 119.2995 58.2957 32.2171 177.9587 69 L 3.8403 8.1139 120.8636 57.9152 42.2181 178.6214 70 K 3.8892 8.2638 119.8667 59.8238 32.0807 178.4370 71 E 3.9431 8.1779 118.5508 59.6736 29.3820 179.4427 72 T 3.8280 8.0663 115.7854 66.7336 68.4565 176.7059 73 I 3.8188 7.9210 121.5846 64.5136 37.3028 178.1787 74 N 4.2519 8.3541 117.4631 56.3445 38.3524 177.1157 75 E 3.8554 8.1359 120.6033 59.2622 29.7421 178.7199 76 E 3.5068 7.9468 118.4216 58.9820 29.2759 179.1891 77 A 3.5293 7.5001 120.7815 54.8847 18.2732 179.6021 78 A 3.9746 7.7415 118.9251 55.1214 18.3614 179.7463 79 E 3.8514 8.1955 117.2568 59.1141 29.5932 179.0004 80 W 4.2780 8.4783 128.8606 60.8741 30.4878 177.4425 81 D 4.4524 7.8572 116.5609 57.6851 40.3961 178.7752 82 R 3.9895 7.5134 117.6346 59.2658 30.2273 177.9973 83 L 4.1311 7.8611 116.5331 55.6508 43.1504 176.8650 84 H 4.6488 7.2884 114.8807 52.9032 28.9570 171.4421 85 P 4.3566 0.0000 0.0000 62.7007 32.2888 176.5095 86 V 4.5492 7.7912 113.3191 59.7476 35.6472 175.9993 87 H 4.3633 8.6678 118.1053 59.1130 30.4450 176.6601 *96 M 4.4845 8.2903 115.2634 54.8470 32.4717 177.8106 97 R 4.1921 9.2526 107.7648 56.0012 30.8749 177.0428 98 E 4.2070 8.6137 120.2490 55.5055 30.2494 175.1393 99 P 4.0529 0.0000 0.0000 62.4821 32.1857 176.8679 100 R 4.7121 9.5844 121.3333 54.5985 33.0330 177.9771 101 G 4.0131 9.6317 107.0006 48.5822 0.0000 176.0909 102 S 4.2713 8.0760 115.7822 60.5513 63.0763 175.9754 103 D 4.4239 7.8265 122.7045 57.1585 40.5656 178.3929 104 I 3.2507 7.3571 119.1638 64.0645 37.0346 176.8603 105 A 2.5800 7.6286 120.2645 51.6642 18.2908 178.2100 106 G 3.9844 7.6232 104.4903 45.6166 0.0000 174.8642 107 T 4.2069 7.6959 109.9189 62.9573 69.3525 175.6626 108 T 4.5096 7.9202 109.3073 60.9417 70.0806 173.7690 109 S 5.0489 7.8317 116.8906 56.8955 65.4275 174.4835 110 T 4.2715 8.6362 113.5553 60.7741 71.0588 175.5919 111 L 3.8438 8.3655 123.2664 58.6577 41.9113 179.0405 112 Q 3.8755 7.9395 118.6434 59.2259 29.0049 177.9302 113 E 3.3117 8.0950 119.6204 59.0627 29.3088 179.3175 114 Q 4.2301 7.7955 118.0030 59.2226 28.8517 179.0318 115 I 3.8166 7.7522 120.8728 64.2992 37.2525 178.7286 116 G 3.5116 8.1036 106.7402 47.4383 0.0000 175.9059 117 W 4.4491 7.9878 121.1235 60.0546 28.9750 178.6665 118 M 4.1745 8.2921 117.4193 57.5333 31.3754 177.3327 119 T 4.5035 7.4462 106.3975 61.2317 69.3369 173.9443 120 H 4.2261 7.8140 121.4526 56.5094 30.3687 173.8969 121 N 4.8706 7.9917 122.8711 51.1944 38.7062 172.4472 122 P 4.7200 0.0000 0.0000 60.5620 33.0513 174.3775 123 P 4.6413 0.0000 0.0000 62.3258 31.6671 176.9174 124 I 4.2887 8.3664 123.8971 59.3447 37.4224 175.2715 125 P 4.6057 0.0000 0.0000 61.5127 27.9994 176.9104 126 V 3.3175 7.6271 116.1279 64.8611 31.9073 178.5636 127 G 3.4896 7.8909 105.0213 47.9186 0.0000 175.5289 128 E 3.9194 8.0007 121.1851 58.8216 29.3941 179.4566 129 I 3.3498 7.7160 120.0553 64.4587 37.0426 177.8294 130 Y 3.4834 7.4885 120.3385 60.4499 38.4161 178.2525 131 K 3.9341 8.2888 119.8817 59.2884 32.0399 179.2310 132 R 3.9350 7.8003 119.0192 59.3290 30.0540 178.6711 133 W 4.4226 7.9180 118.4210 59.8429 28.9561 178.5128 134 I 3.6719 8.1551 119.9908 64.5074 36.4907 178.5713 135 I 3.6602 8.1127 120.8241 64.1094 36.8470 177.8948 136 L 4.0590 8.2629 121.5965 58.5292 41.8538 179.4963 137 G 3.5804 8.1641 105.2244 47.7511 0.0000 175.7108 138 L 3.8742 8.1247 121.7066 57.6036 41.3883 179.3449 139 N 4.3799 8.4171 116.0289 56.0072 38.7134 177.4212 140 K 4.1495 7.8128 119.8713 59.6036 32.1180 179.5210 141 I 3.7971 7.8314 120.0979 64.1941 36.9681 178.3348 142 V 4.5382 7.9961 120.7222 65.7837 30.9439 178.3276 143 R 4.0693 7.7954 116.1229 59.1039 29.9478 177.8226 144 M 4.1591 8.2570 117.3595 56.9489 32.3214 175.9739 145 Y 4.1722 7.8918 121.3518 57.9741 38.5512 175.2774 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 P 0.00 4.89 0.00 2.07 2.23 0.00 3.76 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 2.05 1.78 0.00 2 I 8.20 4.92 1.85 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 1.41 0.79 0.95 0.00 0.00 3 V 9.07 4.55 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 0.85 0.00 0.00 0.91 0.00 0.00 4 Q 8.56 5.00 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 5 N 8.93 4.80 0.00 2.93 2.95 0.00 0.00 6.67 6.38 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 6 L 8.27 4.13 0.00 1.65 1.76 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.14 4.10 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 8 G 8.38 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 0.00 0.00 0.00 9 Q 8.29 4.53 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 10 M 8.41 4.87 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 11 V 8.87 4.60 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 0.71 0.00 0.00 0.98 0.00 0.00 12 H 8.78 4.85 0.00 3.12 3.20 0.00 5.86 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 13 Q 8.38 4.62 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 14 A 8.56 4.26 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 15 I 8.22 3.69 1.88 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 1.44 0.68 0.90 0.00 0.00 16 S 8.47 4.41 0.00 4.04 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 17 P 0.00 4.24 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 18 R 8.00 3.95 0.00 1.85 1.99 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 19 T 7.96 3.88 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 1.19 0.00 0.00 20 L 8.18 4.08 0.00 1.96 1.72 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.64 4.29 0.00 2.91 2.88 0.00 0.00 6.93 7.73 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 22 A 8.15 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 23 W 8.60 4.31 0.00 3.37 3.26 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 24 V 8.00 3.31 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 0.79 0.00 0.00 1.02 0.00 0.00 25 K 7.88 3.92 0.00 2.01 1.80 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 26 V 7.93 3.45 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 1.05 0.00 0.00 1.03 0.00 0.00 27 V 7.27 2.89 1.69 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 0.60 0.00 0.00 -0.37 0.00 0.00 28 E 8.09 3.79 0.00 1.81 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 2.38 2.37 0.00 29 E 7.76 4.24 0.00 1.92 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 2.21 2.28 0.00 30 K 8.09 4.33 0.00 1.77 1.65 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.26 7.81 31 A 7.52 3.22 -0.09 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 0.00 0.00 0.00 0.00 0.00 32 F 6.13 4.51 0.00 2.39 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 33 S 8.17 4.63 0.00 4.12 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 34 P 0.00 4.34 0.00 2.32 2.40 0.00 3.74 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 2.10 0.00 35 E 8.34 4.07 0.00 2.07 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 0.00 2.41 2.45 0.00 36 V 7.97 4.00 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 1.17 0.00 0.00 0.96 0.00 0.00 37 I 7.88 3.84 2.07 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 1.60 0.76 1.01 0.00 0.00 38 P 0.00 4.29 0.00 2.20 2.14 0.00 3.77 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 2.15 2.22 0.00 39 M 7.70 4.10 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.89 0.00 40 F 8.92 4.01 0.00 3.31 3.35 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 41 S 8.25 3.85 0.00 3.88 3.87 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 42 A 7.89 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 43 L 7.97 4.02 0.00 1.57 1.67 1.19 0.87 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 44 S 7.31 4.22 0.00 3.45 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 45 E 7.18 3.76 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 46 G 8.92 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 47 A 7.81 4.13 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 48 T 8.86 4.27 4.48 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 1.25 0.00 0.00 49 P 0.00 4.50 0.00 2.32 2.35 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 50 Q 8.68 3.99 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 D 8.12 4.40 0.00 2.86 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 52 L 8.28 3.88 0.00 1.80 1.38 0.77 0.46 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 53 N 8.57 4.46 0.00 2.96 2.96 0.00 0.00 7.07 7.05 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 54 T 7.77 3.93 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 1.26 0.00 0.00 55 M 8.25 4.30 0.00 1.31 2.06 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.27 0.00 56 L 8.32 4.22 0.00 1.74 1.80 0.89 0.62 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 57 N 8.21 4.81 0.00 2.91 2.92 0.00 0.00 7.10 7.16 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 58 T 7.76 4.39 4.85 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 1.32 0.00 0.00 59 V 7.51 3.63 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 0.90 0.00 0.00 1.19 0.00 0.00 60 G 8.53 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 61 G 8.54 3.72 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 0.00 0.00 0.00 62 H 8.53 4.30 0.00 3.59 3.71 0.00 5.62 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 63 Q 8.11 4.07 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 64 A 8.08 3.99 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 65 A 8.13 3.98 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 66 M 8.38 3.96 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.03 0.00 67 Q 8.26 3.94 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 68 M 8.12 4.04 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 69 L 8.11 3.84 0.00 1.72 1.78 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.26 3.89 0.00 1.98 2.00 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 71 E 8.18 3.94 0.00 2.20 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 2.32 2.42 0.00 72 T 8.07 3.83 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 1.23 0.00 0.00 73 I 7.92 3.82 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.90 1.19 0.00 0.00 74 N 8.35 4.25 0.00 2.85 2.84 0.00 0.00 6.70 7.92 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 75 E 8.14 3.86 0.00 1.98 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 2.20 2.27 0.00 76 E 7.95 3.51 0.00 1.16 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 2.23 2.17 0.00 77 A 7.50 3.53 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 78 A 7.74 3.97 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 79 E 8.20 3.85 0.00 2.00 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 2.37 2.38 0.00 80 W 8.48 4.28 0.00 3.67 3.35 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 81 D 7.86 4.45 0.00 2.92 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 82 R 7.51 3.99 0.00 1.84 2.06 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.86 4.13 0.00 1.33 1.38 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.29 4.65 0.00 2.71 2.95 0.00 5.86 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 85 P 0.00 4.36 0.00 1.97 1.93 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 86 V 7.79 4.55 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 0.80 0.00 0.00 0.95 0.00 0.00 87 H 8.67 4.36 0.00 3.16 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 M 8.29 4.48 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 97 R 9.25 4.19 0.00 2.08 2.03 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 98 E 8.61 4.21 0.00 2.01 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 2.36 2.27 0.00 99 P 0.00 4.05 0.00 1.28 0.49 0.00 3.46 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 0.00 100 R 9.58 4.71 0.00 1.80 2.29 0.00 3.36 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 101 G 9.63 4.01 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 0.00 0.00 0.00 102 S 8.08 4.27 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 0.00 103 D 7.83 4.42 0.00 2.69 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.36 3.25 1.54 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.04 -0.40 0.00 0.00 105 A 7.63 2.58 1.06 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 0.00 0.00 106 G 7.62 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 0.00 107 T 7.70 4.21 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 1.23 0.00 0.00 108 T 7.92 4.51 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 0.00 109 S 7.83 5.05 0.00 4.21 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 0.00 110 T 8.64 4.27 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 1.17 0.00 0.00 111 L 8.37 3.84 0.00 1.82 1.66 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.94 3.88 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 113 E 8.10 3.31 0.00 1.75 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 1.89 2.08 0.00 114 Q 7.80 4.23 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 115 I 7.75 3.82 1.81 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 1.46 0.78 0.88 0.00 0.00 116 G 8.10 3.51 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 0.00 0.00 0.00 117 W 7.99 4.45 0.00 3.61 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 0.00 118 M 8.29 4.17 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 119 T 7.45 4.50 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 1.26 0.00 0.00 120 H 7.81 4.23 0.00 3.54 3.50 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.99 4.87 0.00 2.63 2.63 0.00 0.00 7.02 7.69 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 0.00 122 P 0.00 4.72 0.00 2.24 2.06 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 123 P 0.00 4.64 0.00 2.10 2.27 0.00 3.72 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 124 I 8.37 4.29 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.76 0.00 0.00 125 P 0.00 4.61 0.00 2.21 2.20 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 V 7.63 3.32 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 0.38 0.00 0.00 1.07 0.00 0.00 127 G 7.89 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.92 0.00 2.05 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 2.34 2.30 0.00 129 I 7.72 3.35 1.11 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 -0.39 0.00 0.00 130 Y 7.49 3.48 0.00 2.73 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 0.00 131 K 8.29 3.93 0.00 1.90 1.85 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 1.48 7.81 132 R 7.80 3.93 0.00 2.01 2.09 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 133 W 7.92 4.42 0.00 3.69 3.11 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 0.00 134 I 8.16 3.67 1.90 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.51 0.23 0.00 0.00 135 I 8.11 3.66 2.01 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 1.56 0.86 0.97 0.00 0.00 136 L 8.26 4.06 0.00 2.05 2.00 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.16 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.87 0.00 1.78 1.71 0.61 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.42 4.38 0.00 2.90 2.91 0.00 0.00 7.09 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 0.00 140 K 7.81 4.15 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 141 I 7.83 3.80 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.85 0.00 0.00 142 V 8.00 4.54 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.13 0.00 0.00 143 R 7.80 4.07 0.00 2.00 2.00 0.00 3.39 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 144 M 8.26 4.16 0.00 1.70 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 145 Y 7.89 4.17 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.