NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4746 8.1933 115.4129 57.2468 64.6216 174.5854 5 P 4.1431 0.0000 0.0000 64.7414 30.9595 177.6638 6 A 3.9728 8.6822 121.0660 55.4029 18.9676 178.9989 7 D 4.3774 8.0030 116.9217 57.5022 40.7931 179.1663 8 T 3.9145 8.0237 116.2698 66.6464 68.5257 176.2375 9 A 4.0647 7.9786 124.4854 55.9128 17.9576 180.4437 10 R 3.6704 8.1176 119.0048 61.8018 29.4686 180.2471 11 Y 4.5029 8.2682 120.7118 60.6465 38.7691 177.8000 12 N 4.2267 8.8230 117.8370 56.2197 38.6335 177.6413 13 R 3.8079 7.7898 119.6079 58.9105 30.0255 178.8997 14 F 4.5422 7.3845 117.1522 60.1693 39.0460 178.1407 15 V 3.2178 7.6883 117.9108 65.5135 31.0953 177.9662 16 A 4.0681 8.0412 120.8258 55.1552 17.9875 179.3138 17 D 4.2641 7.5689 116.2257 57.2403 40.9223 178.3609 18 L 3.7343 7.1256 119.3860 58.3215 42.1613 178.8927 19 F 4.7876 7.7569 116.1881 59.8436 40.4214 176.8611 20 G 4.4093 8.4740 107.9356 44.4091 0.0000 173.4138 *23 A 4.5806 7.6016 125.4317 52.6952 21.3911 178.9156 24 Y 3.9911 8.3626 116.4861 60.6466 38.8498 178.0611 25 G 3.6794 8.2215 106.2491 47.9441 0.0000 175.3680 26 E 4.1451 8.0836 120.4459 58.9480 29.6854 178.7807 27 L 3.7576 8.0159 120.6589 58.3440 42.0162 179.3018 28 S 3.8744 7.8969 114.9175 61.3585 62.6962 176.4741 29 A 3.2783 8.2072 123.8113 54.7414 18.0128 179.0799 30 F 4.2219 8.2410 119.3401 61.7848 39.5165 177.3190 31 E 3.5060 7.7331 118.4518 58.7780 29.0658 179.7026 32 R 3.8799 7.5680 116.6127 59.3524 30.1888 178.8303 33 F 4.7034 8.3865 118.2908 60.7036 38.8908 177.9202 34 S 4.2149 7.9608 113.3496 61.2083 62.8561 176.3829 35 A 4.1279 7.9037 123.8124 54.5303 17.4395 178.5211 36 D 4.4778 7.6789 114.3966 55.0380 40.5947 178.2383 37 A 4.2004 7.9980 126.3967 54.6465 18.6426 180.8962 38 R 3.8696 7.6678 111.3428 58.6657 29.5193 177.0838 39 Y 4.5680 7.0527 113.9147 58.5887 38.3154 175.9999 40 S 2.7900 7.6348 116.6666 58.0785 63.3091 173.7416 41 P 3.9783 0.0000 0.0000 64.8065 31.2031 175.9279 42 T 4.6103 7.0005 105.2279 58.6753 71.9389 174.0374 43 L 4.0204 8.2185 121.6232 58.2736 41.5115 178.0204 44 H 4.1612 8.0992 118.0093 59.1311 29.9231 176.6901 45 D 4.5831 7.9337 120.1291 56.6713 39.9736 178.8169 46 R 3.9787 7.8348 120.3575 58.6025 30.0818 178.7435 47 A 4.0944 7.7161 119.1263 54.8078 18.0235 179.5627 48 V 3.6090 7.7058 117.4215 66.4057 31.6223 178.2785 49 L 4.1494 8.2017 118.3250 57.3137 41.5056 179.7261 50 G 3.6729 7.8611 105.2724 48.0006 0.0000 176.0183 51 R 4.0149 8.1436 121.1032 58.8449 29.6949 179.1852 52 I 3.7903 7.6460 119.3226 64.4760 37.2294 178.3960 53 A 4.3457 8.5610 121.8946 55.2382 18.2561 179.8996 54 V 3.7850 8.3321 117.0782 66.1501 31.6194 178.2649 55 V 3.6359 7.9949 118.1084 66.1031 31.2150 177.8691 56 E 3.9845 8.1095 117.7516 59.4857 29.3959 179.0687 57 F 3.8952 8.2842 120.3390 61.3440 39.3363 177.3791 58 R 3.9258 8.2406 117.7135 59.3551 29.7284 178.7712 59 H 4.1848 8.1738 116.0956 59.0082 28.7421 176.8783 60 Y 4.3807 7.9220 122.6887 60.2074 38.5017 178.2712 61 E 3.5210 7.6210 120.3510 58.4471 29.5993 179.1723 62 L 3.7699 7.6592 120.3314 58.0823 42.1769 179.2757 63 V 3.2044 7.7611 118.6826 65.6873 31.3978 178.1645 64 S 3.9402 8.0319 114.3243 61.1687 62.6081 176.3692 65 A 3.8135 7.7211 124.3326 54.7545 17.8847 179.4709 66 R 3.6398 7.2581 115.6034 59.4957 30.3970 178.2220 67 L 4.1301 7.5946 118.5998 58.0590 41.4295 179.4085 68 E 4.0965 8.0184 116.7988 59.0861 29.5688 180.2969 69 A 4.3263 7.9701 121.1421 51.5109 18.5510 177.8355 *71 G 3.7872 8.0162 107.2017 46.9386 0.0000 173.4908 72 I 4.4759 7.6230 119.9805 58.3375 40.0619 176.0156 73 D 4.5669 8.6377 124.1129 54.0066 42.1607 176.6058 74 A 4.0116 8.4055 129.2758 55.4036 18.5771 178.9700 75 E 4.1443 8.4135 115.1967 60.0018 29.6437 178.9218 76 D 4.5704 8.1220 116.2029 57.3246 41.0582 179.2651 77 A 4.1977 7.6930 118.3164 52.5267 18.2675 178.9661 *79 L 4.0197 7.8658 124.0882 56.1617 43.6811 177.2628 80 P 4.0060 0.0000 0.0000 64.5455 31.3934 176.8406 81 F 4.6877 7.4723 115.0619 57.3541 40.0143 177.2963 82 Q 2.9993 7.8602 122.8276 58.8467 28.7633 177.9373 83 A 4.0083 7.8457 121.0064 55.0660 18.5201 179.3148 84 A 4.1963 7.8786 120.0920 54.9576 18.7050 179.9293 85 V 3.7962 8.1161 116.8270 66.3252 31.6481 177.9568 86 D 4.5878 8.8123 119.1598 57.4635 40.6652 178.1554 87 Y 3.9625 8.3117 120.0778 60.6630 38.6673 177.5614 88 F 4.2054 8.2965 120.2138 62.0412 39.6027 176.6038 89 H 4.1306 8.3148 115.6124 58.6738 28.2720 177.9702 90 S 4.1987 8.1134 115.2269 60.7692 62.9748 175.7471 91 R 4.3023 7.4459 119.5731 56.1099 30.7752 176.2529 92 T 4.6115 7.2366 109.0071 60.6501 68.7446 175.1456 93 R 4.3442 8.1337 120.7030 55.7541 30.6541 175.5016 94 P 3.8158 0.0000 0.0000 62.6688 31.7967 176.3566 95 A 4.3837 8.1571 123.9741 52.3573 20.0974 176.4219 96 D 3.4070 6.4684 114.5817 50.2701 43.2245 175.6340 97 W 4.3931 8.4075 128.0651 61.2713 30.1512 177.3045 98 Y 3.9510 7.5272 114.3893 60.8823 37.4829 177.5165 99 E 3.6910 8.1441 118.8836 59.0771 29.6189 179.3534 100 S 4.3595 7.6759 115.0903 61.4479 62.8087 177.6584 101 L 3.6225 7.2257 118.4596 55.1789 41.0861 178.9561 *103 K 4.3151 8.0543 122.1534 56.5798 34.1563 177.6512 104 A 3.6319 8.0602 120.4268 55.1136 18.1213 178.8796 105 Y 4.0543 8.2295 118.2562 60.9927 38.9290 178.5425 106 V 3.4776 7.8942 118.5526 66.0318 31.6729 177.9294 107 I 3.7728 8.0562 119.5648 64.5207 37.1582 178.1991 108 D 4.4644 8.4526 120.2846 57.3739 40.6126 179.0405 109 T 3.7738 7.8463 110.3839 64.8099 68.9653 176.9436 110 V 3.5378 7.6600 121.9066 65.5089 31.4532 178.1487 111 S 3.8854 8.2219 113.8069 61.1808 62.9088 176.3300 112 A 4.1166 7.9158 124.0651 54.9992 18.1367 179.2794 113 D 4.2902 8.0986 117.4647 57.3832 40.9902 178.6672 114 F 4.0462 8.0653 121.0216 61.7162 39.3845 176.8173 115 Y 4.2884 7.8561 116.2096 61.2544 37.4159 178.8995 116 R 3.9669 7.9079 117.7974 58.9615 30.1617 178.6192 117 A 4.0771 7.6611 120.4195 54.3251 18.6962 178.8597 118 I 4.1846 7.4112 110.5017 62.4082 38.1997 178.1413 119 S 4.0818 7.8822 117.8411 61.8769 62.5126 177.0651 120 R 3.8176 7.6595 116.0734 58.7443 29.2244 177.3337 121 Y 4.6424 7.8151 115.9148 57.6763 38.5427 175.6267 122 V 4.5682 6.7317 113.3503 59.2030 34.0226 175.5333 123 D 4.6136 9.1212 122.4232 53.2864 41.1132 177.4683 124 A 4.0846 8.5263 121.1366 55.3049 18.4408 180.1095 125 G 3.6263 8.2083 103.7944 48.0948 0.0000 175.9728 126 T 4.3895 7.9721 117.3379 66.3693 68.5938 176.9836 127 R 3.9107 8.3035 120.8960 59.4804 30.0535 178.0727 128 D 4.3152 8.1707 117.9194 57.1129 40.9664 178.4130 129 V 3.4669 7.2217 116.4308 66.0162 31.8823 177.5385 130 I 3.5177 7.5914 119.3567 64.6640 36.8410 178.0280 131 E 3.9250 8.6698 119.2823 59.8755 29.0641 179.7066 132 Q 3.9907 7.9263 116.8597 58.7254 28.8123 178.3862 133 I 3.5745 7.4751 119.8979 62.2873 37.3326 176.1874 134 Q 4.2152 7.0820 122.0331 56.0426 28.9862 176.8720 *139 T 4.4188 8.3392 113.8014 60.7017 71.1068 173.0649 140 T 4.1013 7.8743 116.5250 67.3004 68.7410 176.7166 141 E 4.0173 8.1854 119.9953 59.0058 29.3630 179.2381 142 V 3.6121 7.8682 118.1535 66.1155 31.6015 177.9854 143 L 3.9531 7.4980 118.2008 57.7557 41.4707 179.4327 144 R 3.2636 8.2199 118.9902 59.2921 30.0068 178.2071 145 E 4.0272 8.5576 119.3687 58.8636 29.5206 178.8460 146 R 3.9680 7.6898 118.6006 59.1988 30.0767 179.0188 147 L 3.8902 7.6977 118.4591 57.7165 41.7122 179.2568 148 R 3.8136 8.1474 119.2907 59.6702 29.5531 178.7113 149 S 4.1401 8.2381 113.5862 61.2332 62.9725 176.3175 150 A 3.9689 7.8378 124.1698 55.0157 17.8989 179.6416 151 L 3.9003 7.9011 116.3135 57.5290 41.7129 179.2452 152 A 4.1200 7.8410 120.2613 54.2211 18.3913 178.2974 153 D 4.8853 7.4144 113.3761 53.6833 43.0556 177.1731 154 D 4.6694 7.7755 119.1941 50.5918 42.3161 173.1322 155 P 4.2136 0.0000 0.0000 65.4795 30.1882 177.6971 156 R 3.9384 8.2367 116.7144 59.0929 29.8477 178.9110 157 L 4.1889 7.8522 118.4747 57.5643 41.4534 178.8276 158 A 3.9553 7.7197 121.0179 55.6948 18.2047 179.7950 159 S 4.0758 7.9680 111.2730 61.5054 63.0979 176.5748 160 R 3.9176 7.5127 122.1885 59.2531 29.8268 178.5525 161 L 4.2229 8.4860 118.9913 57.3696 41.5389 179.3229 162 A 4.0381 8.2322 121.1191 55.2152 18.3884 179.6236 163 L 3.9795 7.8062 117.1318 57.6438 41.6389 179.6008 164 W 4.4177 8.4923 128.4114 60.5233 30.6985 177.9563 165 G 3.7919 8.8601 106.2402 48.2638 0.0000 175.7831 166 R 3.9792 8.0495 120.3447 58.7996 30.0457 179.1108 167 R 3.8337 8.0208 118.5920 59.1910 30.0933 178.5139 168 L 3.7231 7.5734 118.8808 57.5910 41.5997 179.2220 169 L 3.8872 7.8048 120.2323 58.0773 42.0507 179.1706 170 G 3.6319 8.4031 105.9813 48.0744 0.0000 175.5527 171 E 4.1629 8.4743 121.0875 58.6936 29.3980 179.4773 172 A 3.7681 8.1276 120.9810 55.1082 18.5254 179.5696 173 L 3.8926 7.9748 117.5664 58.3512 41.7194 179.9801 174 T 3.9104 8.0273 115.5875 66.7887 67.9062 176.7808 175 Q 4.0310 7.9332 118.5862 58.5836 28.4955 178.4418 176 A 3.9388 7.8611 121.2784 55.1359 18.5028 179.0713 177 Q 3.9979 8.1502 118.0751 59.2953 29.0464 178.6015 178 R 3.9921 7.8758 119.5782 59.5144 30.2181 178.6638 179 V 3.7081 8.2707 118.0491 65.7042 31.1860 178.1175 180 S 4.0745 7.4706 114.4273 61.5647 62.6918 175.5539 181 Y 4.3537 7.7610 118.0464 60.7543 38.0567 177.2993 182 E 4.2376 8.4854 118.8767 58.9512 30.9624 177.0350 183 H 4.6243 7.6505 113.0752 55.4212 31.9300 173.4321 184 A 4.2856 7.8870 124.0661 52.0077 19.2896 177.6815 185 F 4.6710 8.0041 114.7492 55.6289 39.8368 176.8156 186 L 3.7978 6.9113 123.0223 57.7604 41.5717 178.6952 187 G 3.5617 7.6773 104.3724 47.6632 0.0000 175.5112 188 S 4.0644 7.2244 115.8855 61.5173 62.6567 176.7113 189 L 3.9587 7.2391 118.7108 56.5770 41.3768 177.8327 190 I 3.0934 6.9129 112.0297 60.9403 39.5098 175.8859 *194 D 4.2797 7.9905 122.0504 53.7675 40.3292 181.7006 195 S 4.4689 8.7328 122.7017 59.7885 62.4682 171.3147 196 A 4.5940 7.6243 124.3313 55.2848 19.9924 179.7848 197 A 4.0004 7.8104 117.9247 54.4660 18.3548 179.6353 198 A 3.7996 7.7657 119.6038 55.2843 18.4121 179.9659 199 K 3.8128 7.8764 116.5317 59.3155 32.0684 179.1543 200 E 3.8399 7.9503 119.1970 59.3386 29.6724 178.8071 201 L 3.9377 7.6959 118.7779 57.8368 41.5099 179.7988 202 V 3.5730 7.5428 117.9558 65.9317 31.3537 178.3678 203 S 4.1891 7.8695 115.0475 61.3692 62.7503 176.8695 204 G 3.5805 8.2421 108.6444 47.4076 0.0000 175.6856 205 L 3.9675 7.9192 122.6145 58.0047 42.1667 179.0885 206 I 3.6426 8.0440 119.8322 64.4461 37.0965 178.0683 207 A 4.0888 8.3710 122.0751 55.4016 18.1194 179.9811 208 G 3.5596 8.0625 103.7056 47.8764 0.0000 175.9729 209 L 4.0327 7.9372 120.8444 57.4561 41.5928 179.5384 210 A 3.9824 8.0293 120.8266 55.0778 18.3195 179.5276 211 E 3.9302 8.1964 117.1193 59.6401 29.6037 179.8089 212 K 4.0064 8.1128 118.4793 59.4895 31.8112 178.8833 213 H 4.1037 7.9445 117.7209 59.5893 29.9234 177.3505 214 S 4.2399 8.0010 115.3676 61.3386 62.8747 176.5850 215 K 4.2187 8.1173 121.5220 59.1479 31.6893 180.4949 216 R 4.2035 7.9409 117.3204 56.7135 29.9738 178.9176 *218 T 4.4409 7.9239 117.2153 63.8868 70.4092 176.6179 219 Q 3.9793 8.1170 118.9334 58.7029 28.7425 177.3309 220 L 4.1362 7.6693 115.4976 55.0575 41.8357 177.4544 221 G 3.8552 8.3115 107.2428 45.8572 0.0000 173.4568 222 L 4.6113 7.7378 120.2983 53.6323 43.7492 177.4840 223 T 4.1910 8.2936 111.8149 61.1593 68.5371 175.7450 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 S 8.19 4.47 0.00 4.02 4.07 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 5 P 0.00 4.14 0.00 2.26 2.15 0.00 3.60 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 2.11 2.21 0.00 6 A 8.68 3.97 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 7 D 8.00 4.38 0.00 2.76 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 8 T 8.02 3.91 4.45 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 1.27 0.00 0.00 9 A 7.98 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.12 3.67 0.00 1.83 1.95 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 11 Y 8.27 4.50 0.00 3.17 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 12 N 8.82 4.23 0.00 2.91 2.85 0.00 0.00 7.04 7.60 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 13 R 7.79 3.81 0.00 1.58 1.62 0.00 3.01 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 14 F 7.38 4.54 0.00 3.13 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 15 V 7.69 3.22 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.13 0.00 0.00 16 A 8.04 4.07 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 17 D 7.57 4.26 0.00 2.56 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 0.00 0.00 0.00 18 L 7.13 3.73 0.00 1.56 1.52 1.30 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.76 4.79 0.00 3.04 2.86 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 20 G 8.47 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 A 7.60 4.58 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.36 3.99 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.22 3.68 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 0.00 0.00 0.00 26 E 8.08 4.15 0.00 2.26 2.30 0.00 0.00 0.00 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 2.47 0.00 27 L 8.02 3.76 0.00 1.17 1.44 0.45 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.90 3.87 0.00 3.88 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 29 A 8.21 3.28 0.95 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 30 F 8.24 4.22 0.00 3.29 3.41 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 31 E 7.73 3.51 0.00 2.08 1.85 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 2.31 2.46 0.00 32 R 7.57 3.88 0.00 1.60 2.02 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 33 F 8.39 4.70 0.00 3.03 2.98 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 34 S 7.96 4.21 0.00 3.83 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 35 A 7.90 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.68 4.48 0.00 3.04 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 37 A 8.00 4.20 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0.00 115 Y 7.86 4.29 0.00 3.09 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 0.00 116 R 7.91 3.97 0.00 1.92 1.98 0.00 3.17 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 117 A 7.66 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 4.18 1.81 0.00 0.00 0.62 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 1.06 0.48 0.00 0.00 119 S 7.88 4.08 0.00 3.86 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 0.00 120 R 7.66 3.82 0.00 1.68 1.81 0.00 2.31 0.00 0.00 2.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 121 Y 7.82 4.64 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.73 4.57 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 0.83 0.00 0.00 1.01 0.00 0.00 123 D 9.12 4.61 0.00 2.86 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 0.00 124 A 8.53 4.08 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 0.00 125 G 8.21 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.39 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 127 R 8.30 3.91 0.00 2.01 2.06 0.00 3.09 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 128 D 8.17 4.32 0.00 3.00 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 0.00 129 V 7.22 3.47 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.84 0.00 0.00 130 I 7.59 3.52 1.96 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 1.42 0.71 0.68 0.00 0.00 131 E 8.67 3.92 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 132 Q 7.93 3.99 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 133 I 7.48 3.57 1.64 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 1.32 0.16 0.71 0.00 0.00 134 Q 7.08 4.22 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.52 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 *139 T 8.34 4.42 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 1.21 0.00 0.00 140 T 7.87 4.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 141 E 8.19 4.02 0.00 2.02 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 2.45 2.35 0.00 142 V 7.87 3.61 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 0.97 0.00 0.00 143 L 7.50 3.95 0.00 1.85 1.74 0.95 0.71 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 0.00 144 R 8.22 3.26 0.00 1.89 1.89 0.00 3.18 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 145 E 8.56 4.03 0.00 2.13 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 2.31 2.34 0.00 146 R 7.69 3.97 0.00 2.07 1.97 0.00 3.52 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 147 L 7.70 3.89 0.00 1.61 1.56 0.64 0.80 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 0.00 148 R 8.15 3.81 0.00 1.85 1.90 0.00 3.08 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 149 S 8.24 4.14 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.84 3.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.90 3.90 0.00 1.55 1.68 0.92 0.84 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 0.00 152 A 7.84 4.12 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 0.00 153 D 7.41 4.89 0.00 2.66 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 0.00 154 D 7.78 4.67 0.00 2.55 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 0.00 155 P 0.00 4.21 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 156 R 8.24 3.94 0.00 1.99 1.96 0.00 3.16 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 157 L 7.85 4.19 0.00 1.86 1.57 0.85 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.72 3.96 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 0.00 159 S 7.97 4.08 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.51 3.92 0.00 2.03 2.08 0.00 3.03 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 161 L 8.49 4.22 0.00 1.73 1.79 0.88 0.76 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 0.00 162 A 8.23 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 0.00 163 L 7.81 3.98 0.00 2.00 1.83 0.97 1.28 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 0.00 164 W 8.49 4.42 0.00 3.50 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.86 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 0.00 166 R 8.05 3.98 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 167 R 8.02 3.83 0.00 1.84 1.97 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.51 0.00 168 L 7.57 3.72 0.00 1.70 1.60 0.72 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.80 3.89 0.00 1.55 1.76 0.81 1.12 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 0.00 170 G 8.40 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.47 4.16 0.00 2.09 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 0.00 2.50 2.36 0.00 172 A 8.13 3.77 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.97 3.89 0.00 1.84 1.72 0.90 0.56 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 0.00 174 T 8.03 3.91 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 175 Q 7.93 4.03 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 176 A 7.86 3.94 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 0.00 177 Q 8.15 4.00 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 178 R 7.88 3.99 0.00 1.91 2.04 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 179 V 8.27 3.71 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 1.31 0.00 0.00 1.11 0.00 0.00 180 S 7.47 4.07 0.00 3.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.76 4.35 0.00 2.96 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 0.00 182 E 8.49 4.24 0.00 2.08 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 2.36 2.34 0.00 183 H 7.65 4.62 0.00 2.95 3.14 0.00 5.95 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 0.00 184 A 7.89 4.29 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 0.00 185 F 8.00 4.67 0.00 3.37 3.59 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 0.00 186 L 6.91 3.80 0.00 0.86 1.26 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.22 4.06 0.00 3.13 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 0.00 189 L 7.24 3.96 0.00 1.64 1.80 1.01 0.80 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 0.00 190 I 6.91 3.09 1.08 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 1.12 0.37 0.84 0.00 0.00 *194 D 7.99 4.28 0.00 2.65 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 0.00 195 S 8.73 4.47 0.00 3.70 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 0.00 196 A 7.62 4.59 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 0.00 197 A 7.81 4.00 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 0.00 198 A 7.77 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 7.88 3.81 0.00 1.88 1.75 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.62 7.81 200 E 7.95 3.84 0.00 2.04 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 2.27 2.35 0.00 201 L 7.70 3.94 0.00 1.90 1.58 0.78 0.67 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 0.00 202 V 7.54 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 0.99 0.00 0.00 0.80 0.00 0.00 203 S 7.87 4.19 0.00 3.98 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 0.00 204 G 8.24 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 0.00 205 L 7.92 3.97 0.00 1.88 1.86 0.92 0.86 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 0.00 206 I 8.04 3.64 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.87 0.00 0.00 207 A 8.37 4.09 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 0.00 208 G 8.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.94 4.03 0.00 1.88 1.71 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 210 A 8.03 3.98 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 0.00 211 E 8.20 3.93 0.00 2.20 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 2.33 2.55 0.00 212 K 8.11 4.01 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 213 H 7.94 4.10 0.00 3.17 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 S 8.00 4.24 0.00 4.02 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 0.00 215 K 8.12 4.22 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 216 R 7.94 4.20 0.00 2.04 2.05 0.00 3.06 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 *218 T 7.92 4.44 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 1.22 0.00 0.00 219 Q 8.12 3.98 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 220 L 7.67 4.14 0.00 1.60 1.67 0.91 1.23 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 0.00 221 G 8.31 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 0.00 222 L 7.74 4.61 0.00 1.65 1.61 0.96 0.93 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 0.00 223 T 8.29 4.19 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.