NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 P 4.1813 0.0000 0.0000 62.3677 31.4856 175.2980 25 E 4.0742 8.3316 123.0784 55.0500 29.0451 174.5389 26 H 5.0004 8.3588 120.5678 53.1712 33.0464 173.9653 27 S 4.4047 8.3899 115.7814 58.9307 63.7068 172.3415 28 Q 5.1798 9.2818 127.0356 54.4291 31.2660 174.0413 29 L 5.1681 8.9120 126.0981 53.2433 45.0595 175.5315 30 T 4.8681 8.5303 118.6893 61.4189 72.0608 173.1547 31 A 4.2824 8.7305 128.9355 52.1149 18.4376 176.8329 32 L 4.5128 9.0665 122.6109 54.0330 43.7848 177.1994 33 G 4.4208 7.4502 108.5302 46.6556 0.0000 171.4343 34 M 3.9045 7.8048 116.8551 53.3016 34.2197 174.2532 35 D 4.5323 8.5892 119.7842 54.3960 40.4923 176.5293 36 D 4.6188 8.6509 126.5369 55.6899 41.1411 177.4079 37 T 4.3556 7.9546 108.7421 61.7761 69.6611 175.2091 38 E 4.2203 7.6686 122.1755 56.4245 30.1083 176.0229 39 T 4.6621 7.8699 110.9480 59.0337 71.6616 172.7648 40 P 4.5906 0.0000 0.0000 61.4805 33.7761 175.4993 41 E 4.1658 8.5752 115.1906 56.2222 29.7398 175.9498 42 P 4.8133 0.0000 0.0000 66.3386 31.4435 177.2792 43 H 5.4835 8.1218 111.5849 55.8264 29.0269 174.7644 44 L 4.6889 7.7002 119.5905 53.7498 44.3024 177.8004 45 G 3.6990 8.4664 109.8947 44.8115 0.0000 172.3785 46 L 4.6721 7.7573 117.1673 52.7791 44.0279 176.2370 47 W 4.7266 8.4894 120.3993 54.9451 33.3860 173.9967 48 Y 5.1681 9.0518 118.7661 56.1895 41.4749 174.7141 49 F 5.1999 9.1116 125.7579 58.3334 39.6621 174.9293 50 I 4.1117 8.8239 127.5988 62.8944 38.9209 175.6300 51 A 4.2604 6.4389 119.9792 51.1448 22.3929 175.4187 52 G 4.7025 8.6069 105.9293 44.5753 0.0000 171.6961 53 A 5.6411 9.5333 123.3472 50.3243 23.1252 174.9793 54 A 5.0413 9.2766 121.8784 51.4165 23.0296 177.1422 55 S 4.4873 9.2283 112.6980 59.6329 64.0207 174.4055 56 T 4.8232 8.0144 110.5334 58.9915 71.7760 174.9753 57 T 3.9616 8.5070 113.2852 65.0542 68.3176 176.1840 58 E 4.0237 8.3805 120.9271 59.4869 29.2490 178.3236 59 E 4.2847 7.8375 114.8980 57.0746 29.8772 177.0952 60 L 4.9089 8.4296 118.1613 53.5887 44.3714 178.2303 61 A 4.2477 7.5497 122.1032 54.8494 17.8418 179.3582 62 T 3.6403 7.6364 109.9162 64.7570 67.5534 175.0241 63 F 4.9026 8.1380 118.1741 57.6260 38.8041 177.1158 64 D 4.4912 8.1346 120.2337 57.3799 40.9992 176.3922 65 P 4.6535 0.0000 0.0000 63.4558 32.3707 176.3250 66 V 4.1784 7.7984 121.4840 62.9919 31.8950 175.1722 67 D 4.7953 9.5303 128.8654 56.5154 42.3086 175.4945 68 N 5.4064 7.8875 113.3938 51.9699 41.2338 172.9724 69 I 5.2487 8.5676 119.8111 59.7299 41.2933 174.5102 70 V 4.6261 8.3614 127.1321 60.0999 33.7201 174.9723 71 F 5.4827 8.2949 118.0214 55.8254 41.9692 172.4521 72 N 5.5184 9.2202 116.4374 51.4004 40.8461 172.9740 73 M 5.3844 8.8671 118.9614 53.7182 35.1273 174.6781 74 A 4.9626 9.1073 124.3421 49.4843 22.9721 175.2364 75 A 4.1164 8.4481 121.9690 51.9039 19.2362 177.3805 76 G 3.8159 8.6424 108.1049 46.4046 0.0000 175.0081 77 S 4.0568 8.5447 120.4529 59.2203 62.0147 172.2647 78 A 4.2913 7.6469 120.6008 50.9523 18.9396 175.1192 79 P 4.4453 0.0000 0.0000 63.2826 32.6508 175.8228 80 R 3.8624 8.5943 117.4836 57.8172 28.5152 175.3103 81 Q 5.1091 7.8006 113.5794 53.8645 33.6257 174.6944 82 L 5.2273 8.8672 124.3345 53.3629 45.4787 174.8519 83 Q 5.2856 9.2597 124.9894 54.2216 31.7942 174.3000 84 L 5.1828 9.2361 124.7864 53.3849 44.0283 175.5876 85 R 4.9115 8.6734 123.2042 54.6519 31.9032 175.4774 86 A 5.3132 9.2290 125.6363 50.4011 23.2687 174.6562 87 T 4.7993 8.7158 115.4780 61.8055 72.3135 173.3651 88 I 4.4834 8.7046 128.7206 60.4305 38.7120 175.1082 89 R 4.6911 9.0309 128.9692 56.2520 31.3405 175.4330 90 T 4.8546 8.7407 123.2013 62.2413 70.0417 176.0416 91 K 3.9257 9.1995 125.5233 59.9090 32.2004 178.5765 92 S 4.2518 7.9695 110.1059 59.1490 63.0692 174.7298 93 G 4.2247 8.5317 110.2445 44.5490 0.0000 174.2852 94 V 4.1241 7.5910 113.0357 60.5634 33.1547 174.9101 95 C 5.5419 8.5443 117.9982 55.2572 40.6203 174.2777 96 V 4.3365 8.8254 124.5952 59.1869 32.7165 173.6949 97 P 4.8113 0.0000 0.0000 62.6996 32.2870 176.1094 98 R 4.2475 8.6010 121.7675 54.8431 33.9628 173.5887 99 K 4.6561 8.2130 126.4453 54.5018 34.6137 174.8110 100 W 4.9923 9.3788 128.2185 55.0868 31.9038 174.6910 101 T 5.0449 8.4711 118.9031 60.5073 69.0306 172.6466 102 Y 4.9733 9.3232 125.6642 56.0476 42.1016 174.5906 103 R 4.6827 8.9853 122.3438 55.9077 31.5803 175.3931 104 L 4.9529 8.6361 126.3612 53.8766 43.0621 176.9276 105 T 4.0460 8.2511 119.4251 63.0156 69.3064 174.0139 106 E 4.2798 8.4131 124.5382 56.7396 31.6371 177.4319 *124 D 4.6118 8.2503 119.7974 53.3158 42.3117 176.0240 125 L 3.7664 9.2301 119.6819 58.0943 41.2566 177.7540 126 F 4.5998 7.8494 115.1464 58.7005 39.6109 177.8958 127 S 4.4368 7.7063 115.0341 61.0433 62.4557 174.0920 128 S 4.7182 7.6014 111.3987 59.8363 68.2963 175.3023 129 S 4.2779 8.2517 114.8442 61.2674 62.9519 175.4405 130 C 5.0165 7.9973 118.7172 53.7596 39.8148 171.2127 131 P 4.5442 0.0000 0.0000 63.8754 31.9018 177.8001 132 G 3.8934 10.1964 109.1275 46.0575 0.0000 173.3905 133 G 4.7540 7.8425 107.4947 45.2835 0.0000 173.0562 134 I 4.4183 8.5729 119.5697 59.4132 41.9629 172.9545 135 M 5.0117 8.5408 128.8302 53.7976 34.6568 174.4509 136 L 5.1749 8.5150 124.9573 52.7040 46.2275 175.0666 137 K 4.7835 8.8504 122.8928 54.7039 34.5838 174.2372 138 E 5.2344 8.8438 129.0427 55.0460 31.7885 174.7161 139 T 4.6669 8.8834 122.6231 62.2508 73.7562 173.1926 140 G 3.9293 6.6740 110.4498 45.6871 0.0000 171.7682 141 Q 4.0465 8.4848 121.2674 58.1157 28.8279 176.3101 142 G 4.0971 10.4930 114.3563 45.3608 0.0000 171.8437 143 Y 5.1328 7.4740 116.2848 55.8059 41.0483 173.4307 144 Q 4.8039 9.3367 122.5175 55.0117 32.5320 173.7922 145 R 4.7578 8.5837 120.5618 54.9809 33.5476 173.4434 146 F 5.3053 9.5531 119.7401 55.8898 41.7737 174.6266 147 L 5.2600 9.2454 123.1178 52.7893 45.1325 175.0810 148 L 4.6608 8.8590 125.9254 53.5634 44.0934 174.9290 149 Y 5.7371 8.6684 124.0041 56.8372 41.5384 174.1813 150 N 5.7494 9.4729 118.1594 52.5676 42.4147 175.5128 151 R 3.7904 9.0857 123.3473 58.2865 30.7426 177.0239 152 S 4.6386 8.4363 113.7097 55.5285 63.7674 172.4385 153 P 3.7096 0.0000 0.0000 64.9904 31.3237 176.2705 154 H 4.7472 7.2745 115.2887 52.7837 28.8790 171.0625 155 P 4.5272 0.0000 0.0000 61.0439 32.6661 175.4486 156 P 4.3100 0.0000 0.0000 62.5625 31.7761 177.4797 157 E 4.1794 9.1108 122.0141 59.5307 29.0606 179.0603 158 K 4.2274 7.9615 117.8002 58.3748 32.8896 179.3922 159 C 4.2164 8.5241 121.4093 59.9753 42.0860 175.2813 160 V 3.7277 7.8341 119.3112 66.0829 31.0846 177.5968 161 E 3.9000 8.2038 118.2165 59.5737 29.4073 179.0777 162 E 3.9787 8.1568 119.1979 59.0720 29.6122 178.6177 163 F 4.2278 8.5376 121.1040 61.1354 39.4356 176.9824 164 Q 3.2683 8.5114 119.7180 58.9904 28.7608 178.1945 165 S 3.9607 8.2617 114.6104 61.0942 62.1797 175.9422 166 L 3.8684 7.8348 123.3151 58.3111 41.9085 179.0466 167 T 3.7892 7.6572 109.8676 64.7060 68.6778 176.5502 168 S 4.0694 8.3704 116.4861 61.0766 62.1309 175.4654 169 C 4.0422 7.8121 120.7194 62.2349 31.2751 174.7256 170 L 4.4669 7.2226 116.1083 54.3221 41.3968 176.4681 171 D 4.5224 7.7869 116.6950 54.9448 40.1800 175.4045 172 F 4.5465 7.7556 118.1414 55.9471 37.2052 175.7631 173 K 4.2550 7.9313 120.2110 56.7958 33.2188 177.0938 174 A 4.3970 8.1162 123.1477 51.8045 19.2483 176.4398 175 F 5.2971 8.7857 124.0970 56.5708 43.1573 173.5106 176 L 4.6486 8.0083 126.4723 53.4630 45.5101 174.6375 177 V 4.6289 8.2646 126.2044 60.7726 33.5137 175.1526 178 T 4.1000 8.1302 119.4259 61.1475 68.5535 173.1603 179 P 4.2852 0.0000 0.0000 64.0570 32.0217 176.3629 180 R 3.9339 7.7417 116.9801 57.2163 28.0297 176.5100 181 N 4.5934 8.8865 114.3827 54.3103 39.7290 175.8401 182 Q 4.6658 8.1095 116.9627 53.3024 31.4877 174.5151 183 E 4.2023 8.4506 119.5454 55.7638 30.2267 176.3181 184 A 4.7177 8.3276 126.2567 52.2311 19.0899 177.7227 185 C 4.8627 8.3311 116.8512 54.4169 42.1946 172.4629 186 P 4.5482 0.0000 0.0000 62.9755 31.4848 175.6234 187 L 4.6729 7.9736 120.5147 53.1319 45.1397 176.2138 188 S 4.0888 8.7127 121.5416 59.8448 63.5080 174.3014 189 S 3.9836 8.6554 116.8388 58.8979 63.1324 171.6415 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 24 P 0.00 4.18 0.00 2.06 2.11 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 25 E 8.33 4.07 0.00 1.98 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 2.24 2.31 0.00 26 H 8.36 5.00 0.00 3.16 3.26 0.00 5.90 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 27 S 8.39 4.40 0.00 3.93 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 28 Q 9.28 5.18 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 29 L 8.91 5.17 0.00 1.52 1.37 0.69 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.53 4.87 4.21 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 1.20 0.00 0.00 31 A 8.73 4.28 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 32 L 9.07 4.51 0.00 1.73 1.79 1.17 0.96 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 33 G 7.45 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.80 3.90 0.00 1.69 1.91 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 2.40 2.42 0.00 35 D 8.59 4.53 0.00 3.13 2.81 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 36 D 8.65 4.62 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 37 T 7.95 4.36 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 1.24 0.00 0.00 38 E 7.67 4.22 0.00 2.18 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 2.64 2.40 0.00 39 T 7.87 4.66 4.21 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 1.20 0.00 0.00 40 P 0.00 4.59 0.00 2.18 2.10 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 41 E 8.58 4.17 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 42 P 0.00 4.81 0.00 2.10 2.35 0.00 3.69 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 2.07 2.32 0.00 43 H 8.12 5.48 0.00 3.19 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.70 4.69 0.00 1.63 1.53 0.98 0.94 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 45 G 8.47 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 0.00 0.00 0.00 46 L 7.76 4.67 0.00 1.17 1.02 0.84 0.65 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 47 W 8.49 4.73 0.00 1.78 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 0.00 0.00 0.00 0.00 48 Y 9.05 5.17 0.00 2.91 2.85 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 49 F 9.11 5.20 0.00 3.18 3.15 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 50 I 8.82 4.11 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.85 0.00 0.00 51 A 6.44 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.61 4.70 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 0.00 0.00 0.00 53 A 9.53 5.64 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 54 A 9.28 5.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.23 4.49 0.00 3.94 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 56 T 8.01 4.82 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 57 T 8.51 3.96 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 1.27 0.00 0.00 58 E 8.38 4.02 0.00 2.08 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 0.00 2.41 2.48 0.00 59 E 7.84 4.28 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 60 L 8.43 4.91 0.00 1.85 1.85 1.13 1.14 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 61 A 7.55 4.25 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 62 T 7.64 3.64 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 -0.08 0.00 0.00 63 F 8.14 4.90 0.00 3.34 3.20 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 D 8.13 4.49 0.00 2.85 2.79 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 65 P 0.00 4.65 0.00 2.14 2.12 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 66 V 7.80 4.18 2.50 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 0.96 0.00 0.00 1.24 0.00 0.00 67 D 9.53 4.80 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.89 5.41 0.00 2.96 2.92 0.00 0.00 5.92 7.26 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 69 I 8.57 5.25 2.24 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 1.09 0.00 0.00 70 V 8.36 4.63 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.58 0.00 0.00 71 F 8.29 5.48 0.00 3.22 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 72 N 9.22 5.52 0.00 2.81 2.92 0.00 0.00 7.19 7.00 0.00 0.00 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 M 8.87 5.38 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 74 A 9.11 4.96 1.18 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 0.00 0.00 0.00 75 A 8.45 4.12 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 76 G 8.64 3.82 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 0.00 0.00 0.00 77 S 8.54 4.06 0.00 4.01 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 78 A 7.65 4.29 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 79 P 0.00 4.45 0.00 2.19 2.07 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 80 R 8.59 3.86 0.00 2.08 2.00 0.00 3.18 0.00 0.00 3.61 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 81 Q 7.80 5.11 0.00 2.23 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 82 L 8.87 5.23 0.00 1.78 1.53 1.05 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.26 5.29 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 84 L 9.24 5.18 0.00 1.93 1.65 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.67 4.91 0.00 1.96 1.81 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 86 A 9.23 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.72 4.80 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 88 I 8.70 4.48 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 1.05 0.00 0.00 89 R 9.03 4.69 0.00 2.00 1.98 0.00 3.31 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 90 T 8.74 4.85 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 1.30 0.00 0.00 91 K 9.20 3.93 0.00 1.73 1.94 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.54 1.46 7.81 92 S 7.97 4.25 0.00 4.00 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 93 G 8.53 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 0.00 0.00 0.00 0.00 94 V 7.59 4.12 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 0.76 0.00 0.00 0.95 0.00 0.00 95 C 8.54 5.54 0.00 2.81 2.97 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 96 V 8.83 4.34 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 0.94 0.00 0.00 0.92 0.00 0.00 97 P 0.00 4.81 0.00 1.87 1.95 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 98 R 8.60 4.25 0.00 1.27 0.66 0.00 2.89 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 99 K 8.21 4.66 0.00 1.63 1.56 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.36 7.81 100 W 9.38 4.99 0.00 3.37 2.58 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 0.00 101 T 8.47 5.04 4.20 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 1.22 0.00 0.00 102 Y 9.32 4.97 0.00 2.78 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 0.00 103 R 8.99 4.68 0.00 1.96 1.84 0.00 3.20 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 L 8.64 4.95 0.00 1.67 1.57 0.95 0.88 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 0.00 105 T 8.25 4.05 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 1.20 0.00 0.00 106 E 8.41 4.28 0.00 1.91 1.93 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 2.28 2.35 0.00 *124 D 8.25 4.61 0.00 2.75 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 0.00 0.00 0.00 125 L 9.23 3.77 0.00 1.53 1.11 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.85 4.60 0.00 3.28 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 0.00 127 S 7.71 4.44 0.00 3.85 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 0.00 128 S 7.60 4.72 0.00 4.01 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 0.00 129 S 8.25 4.28 0.00 4.02 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 0.00 130 C 8.00 5.02 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.54 0.00 2.21 2.10 0.00 4.02 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 132 G 10.20 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 0.00 0.00 0.00 133 G 7.84 4.75 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 0.00 0.00 0.00 134 I 8.57 4.42 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.32 0.40 0.00 0.00 135 M 8.54 5.01 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 136 L 8.52 5.17 0.00 1.27 1.30 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.85 4.78 0.00 1.83 1.60 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 0.82 7.81 138 E 8.84 5.23 0.00 2.04 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 2.46 2.53 0.00 139 T 8.88 4.67 4.09 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 1.03 0.00 0.00 140 G 6.67 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 0.00 141 Q 8.48 4.05 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 142 G 10.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.47 5.13 0.00 3.12 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 0.00 144 Q 9.34 4.80 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 145 R 8.58 4.76 0.00 2.00 2.04 0.00 3.15 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 146 F 9.55 5.31 0.00 3.06 3.15 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 0.00 147 L 9.25 5.26 0.00 1.19 1.53 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.86 4.66 0.00 0.27 0.94 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.67 5.74 0.00 2.93 3.08 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 0.00 150 N 9.47 5.75 0.00 2.88 2.91 0.00 0.00 7.61 7.89 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 0.00 151 R 9.09 3.79 0.00 1.60 1.75 0.00 2.65 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 152 S 8.44 4.64 0.00 3.76 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 0.00 153 P 0.00 3.71 0.00 1.64 0.91 0.00 3.48 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 154 H 7.27 4.75 0.00 3.07 3.19 0.00 5.66 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 0.00 155 P 0.00 4.53 0.00 2.21 2.11 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 156 P 0.00 4.31 0.00 2.21 2.04 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 157 E 9.11 4.18 0.00 2.20 2.27 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 2.38 2.41 0.00 158 K 7.96 4.23 0.00 1.97 2.10 0.00 1.52 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.43 7.81 159 C 8.52 4.22 0.00 3.16 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 0.00 160 V 7.83 3.73 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 1.36 0.00 0.00 1.00 0.00 0.00 161 E 8.20 3.90 0.00 2.07 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 2.31 2.43 0.00 162 E 8.16 3.98 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 163 F 8.54 4.23 0.00 3.11 3.34 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 0.00 164 Q 8.51 3.27 0.00 0.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 165 S 8.26 3.96 0.00 3.79 3.84 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 0.00 166 L 7.83 3.87 0.00 1.72 1.78 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.66 3.79 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 168 S 8.37 4.07 0.00 3.76 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 0.00 169 C 7.81 4.04 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.22 4.47 0.00 1.80 1.94 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.79 4.52 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 7.76 4.55 0.00 3.34 3.22 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 0.00 173 K 7.93 4.26 0.00 1.76 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.53 7.81 174 A 8.12 4.40 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 0.00 175 F 8.79 5.30 0.00 2.99 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 0.00 176 L 8.01 4.65 0.00 1.71 1.37 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 177 V 8.26 4.63 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.20 0.00 0.00 178 T 8.13 4.10 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 1.11 0.00 0.00 179 P 0.00 4.29 0.00 2.24 2.26 0.00 4.15 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 2.18 2.03 0.00 180 R 7.74 3.93 0.00 1.97 2.01 0.00 3.28 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 181 N 8.89 4.59 0.00 2.82 2.89 0.00 0.00 6.69 7.23 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 0.00 182 Q 8.11 4.67 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 183 E 8.45 4.20 0.00 1.93 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 0.00 2.31 2.39 0.00 184 A 8.33 4.72 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 0.00 185 C 8.33 4.86 0.00 3.00 3.03 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 0.00 186 P 0.00 4.55 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 187 L 7.97 4.67 0.00 1.51 1.48 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.71 4.09 0.00 3.87 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 0.00 189 S 8.66 3.98 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 * Residues marked with a * may have inaccurate shift predictions.