NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.3027 8.0131 114.4243 60.9487 38.4183 173.6473 4 G 2.9421 8.3407 116.3625 43.3468 0.0000 165.0000 5 V 4.5565 9.5378 125.2944 60.9110 34.3613 172.8361 6 I 4.6313 8.0962 128.3744 59.7971 39.4314 174.7787 7 I 4.5220 8.6910 129.9337 59.6976 38.6241 175.1012 8 L 4.5926 8.7515 128.7966 53.3156 42.8777 178.2322 9 A 4.7274 8.7342 128.0645 51.1903 18.2918 177.0863 10 A 4.4355 8.1717 124.7472 53.7793 21.4760 178.7305 11 G 3.9616 8.5086 106.2230 49.6677 0.0000 174.7062 *19 D 3.7453 8.2800 119.6301 53.2528 41.8567 180.4927 20 K 4.1137 7.6256 119.5301 55.8257 31.7590 179.9261 21 L 4.1453 7.4544 117.8918 57.4348 42.0547 178.6533 22 L 3.9769 7.8518 117.7804 56.1686 42.0788 177.1505 23 A 4.0291 7.1234 121.4485 52.2694 18.7947 176.4263 24 K 5.2147 8.2308 117.5000 53.9301 34.0332 177.0084 25 I 4.1019 8.2311 126.1182 61.3351 35.9720 174.9757 26 D 4.6529 8.4050 125.0960 54.8469 37.4755 174.8363 27 N 4.4211 8.5448 112.9569 54.2188 35.6721 174.2359 28 T 4.5953 7.5441 107.1619 58.9260 71.5975 171.3175 29 P 5.4203 0.0000 0.0000 62.0684 32.1086 176.2469 30 I 3.6982 8.4980 116.1906 64.1204 37.6543 178.0564 31 I 3.5976 7.3705 120.3479 61.5309 38.1091 177.3414 *33 R 4.2566 8.1298 119.2389 56.1284 31.9235 178.1356 34 T 3.8876 8.7316 114.2285 66.8475 68.8387 176.5657 35 I 4.0286 7.9631 124.1695 64.9929 36.9657 179.3691 36 R 4.0460 8.0045 121.4220 61.2139 29.1426 180.7818 37 I 4.0695 7.4509 110.9821 62.3116 37.7758 176.5442 38 Y 4.3874 7.9416 117.9014 55.3306 38.4060 177.8972 39 G 3.8012 8.4297 110.9586 47.0542 0.0000 174.0691 40 D 4.8168 8.9262 121.5687 53.6509 40.8701 176.2701 41 L 4.1744 7.6630 119.7252 54.3682 42.2359 176.7925 42 E 4.1759 8.8128 120.5777 57.1333 30.1068 176.3860 43 K 5.0681 8.5933 123.8568 55.0183 35.2731 175.9821 44 I 4.4513 8.1558 121.3164 59.9790 41.9822 173.2749 45 I 4.8265 8.5666 130.3019 59.7108 39.5831 174.4821 46 I 4.7267 8.6361 128.7552 60.0660 38.6997 175.4245 47 V 5.1100 8.2553 119.8173 59.0610 35.7995 177.9154 48 G 3.9868 8.5418 109.7547 45.4217 0.0000 174.6260 49 K 2.9236 7.6899 122.1150 58.7214 32.1328 175.7983 50 Y 4.6554 7.2621 115.4421 57.4928 38.6750 178.4222 51 V 3.6224 7.4098 114.7380 64.8078 31.8013 178.1819 52 N 4.3692 8.0797 114.8173 55.8574 38.4137 175.2172 53 E 4.4999 7.6419 116.6348 56.4619 30.3075 177.2435 *55 L 4.3879 8.0040 120.4074 54.4366 43.5914 177.5522 56 P 4.3288 0.0000 0.0000 65.4898 31.2723 177.3342 57 L 4.1290 7.7949 115.4486 55.5370 42.2102 176.4245 58 L 4.4320 8.0867 120.0774 52.9678 42.6180 176.2521 *60 D 4.4979 8.5281 122.1970 52.5310 40.8135 174.9069 61 Q 4.6410 7.9421 117.5604 54.1869 32.2387 174.7823 62 I 4.1281 7.9983 119.9554 60.6980 38.3121 175.1430 63 V 4.7920 8.3049 127.0571 60.9806 33.9884 174.5960 64 I 4.3766 8.3767 128.0536 59.5613 39.7489 173.9219 65 Y 4.7538 8.6843 129.1738 56.9813 39.8275 173.9800 66 N 4.6285 8.5932 126.7720 51.2178 39.6935 173.6748 67 P 3.9377 0.0000 0.0000 64.4167 31.8658 176.9896 68 F 4.6855 7.3077 117.6840 56.8341 39.3263 177.2059 69 W 4.2447 7.7813 121.9279 59.5556 27.6019 177.4875 70 N 3.9150 6.5880 113.7574 53.7411 37.1024 175.6609 71 E 4.0017 8.5406 119.2134 57.6961 30.2042 175.7458 72 G 4.1489 7.4333 102.5256 43.8901 0.0000 174.4336 73 I 3.7038 9.3264 123.4035 63.9564 37.6602 178.3711 74 S 4.1636 8.1704 114.9686 61.7057 62.5841 176.4739 75 T 3.8222 8.0960 113.3277 64.8031 68.5118 176.7641 76 S 4.2126 8.0381 117.7043 60.9642 62.9553 176.2984 77 L 3.9792 8.1385 123.1718 57.9929 41.6625 179.0271 78 K 3.9045 8.3964 117.7592 59.3274 32.4019 178.7379 79 L 4.2584 8.2173 120.6569 58.3467 42.1184 179.4133 80 G 3.7739 8.2683 105.2555 47.3262 0.0000 175.3416 81 L 3.9838 7.8236 122.9325 58.1942 41.7536 179.1672 82 R 3.8356 7.8344 117.6879 58.8739 29.7166 178.2947 83 F 3.9554 7.5384 113.9382 58.2547 39.1823 175.8292 84 F 4.6415 7.7465 119.1388 57.5061 40.3706 177.4995 85 K 3.9156 7.6155 127.4736 58.1195 31.3978 181.3448 86 D 5.1859 8.2338 115.6013 53.1169 40.3863 177.9462 87 Y 4.6497 8.6861 118.5244 57.7072 39.5432 175.9043 88 D 4.5245 8.7217 120.2845 57.4606 41.6122 176.5086 89 A 4.8442 7.4197 116.6184 51.3361 22.5309 175.6410 90 V 4.4304 8.7534 114.0680 59.6204 35.1279 175.2192 91 L 4.2700 8.4461 127.3741 53.3256 42.7191 175.3740 92 V 3.8338 8.2409 126.4165 62.8972 31.3920 174.8523 93 A 4.8440 8.9213 130.6014 50.1912 21.8712 174.9711 94 L 4.7267 8.3044 119.3819 52.8397 43.2276 177.0554 95 G 3.7513 9.1841 112.1632 49.2808 0.0000 174.5270 96 D 4.6077 7.8958 122.1167 51.5612 37.5682 174.6879 *98 P 4.1578 0.0000 0.0000 62.9389 33.4083 178.1334 99 F 4.6232 7.4016 116.9956 58.0542 39.4076 175.6413 100 V 3.8996 7.5570 120.3807 63.1570 32.2202 175.0281 101 T 4.7067 7.8104 117.6380 60.7864 73.1078 175.5160 102 K 3.9381 8.4523 122.2003 59.5434 31.9621 179.3906 103 E 3.8858 8.0194 119.1221 59.3199 29.6933 178.1923 104 D 4.3637 7.9995 118.4724 57.6172 40.9790 179.0359 105 V 3.5837 8.1692 118.8965 66.0742 31.4229 177.8755 106 N 4.4206 8.4541 116.6210 55.9191 38.2844 177.6502 107 K 3.9648 8.4205 120.4547 59.6849 32.0387 179.1462 108 I 3.7345 7.6822 118.9901 64.5702 37.2675 178.0935 109 I 4.0038 7.7853 113.4180 63.9442 37.6191 177.9662 110 N 4.4226 8.3682 117.2700 55.8514 38.3502 177.0059 111 T 4.1913 7.8064 116.6493 64.5502 68.7675 174.9490 112 F 4.2760 7.6227 122.8639 58.8739 39.9031 174.4282 113 K 4.3422 7.7457 125.0485 54.0357 36.0550 175.2710 114 P 4.0119 0.0000 0.0000 66.1767 31.5136 178.6012 115 N 4.4122 8.0433 114.5131 54.8893 37.7088 180.0704 116 C 4.9145 7.8041 116.4757 56.0701 35.4358 173.6838 117 K 4.3273 8.9760 122.8532 55.6816 33.2198 175.9818 118 A 4.7915 7.3214 119.2841 50.9951 22.6602 175.3908 119 V 4.4675 8.5726 121.8560 61.2447 34.3166 174.2863 120 I 4.7050 8.5307 130.2433 58.8281 38.8127 173.8473 121 P 4.9274 0.0000 0.0000 63.1836 32.7772 175.1738 122 T 4.9097 9.6018 116.4791 61.0213 71.9225 172.3385 123 H 5.0944 9.6970 127.0047 54.0035 32.8373 173.3793 124 K 3.7965 10.1629 128.6123 57.4032 29.6960 175.9606 125 G 3.9887 8.1482 104.8211 45.1067 0.0000 172.0322 126 E 4.7552 7.7804 119.1994 54.2853 32.0669 175.3763 127 R 4.9775 8.4759 118.7137 55.2076 31.8475 176.4818 128 G 4.1053 9.4624 111.4781 44.8939 0.0000 171.3713 129 N 5.3013 8.5562 118.1067 50.6333 43.4326 172.2906 130 P 4.6956 0.0000 0.0000 62.7255 32.5704 175.8987 131 V 4.0014 8.3968 122.9173 62.4597 33.3836 174.5077 132 L 4.7603 8.9600 130.6207 53.7570 42.7557 174.4778 133 I 4.6261 8.2935 127.2639 60.1582 38.8303 175.7024 134 S 4.8972 8.5195 123.1512 57.3925 65.5589 176.0951 135 K 2.0000 8.7719 126.5809 59.5281 31.0429 179.2468 136 S 4.3151 7.8288 113.8274 61.2483 62.7615 175.7102 137 L 4.4388 7.8695 120.0300 54.5314 41.5914 178.4568 138 F 4.6242 8.3742 122.7835 61.6946 38.7814 177.9836 139 N 4.9056 8.2125 117.8273 56.4112 37.8098 178.4368 140 E 4.3029 8.0823 119.4262 59.8625 30.0279 178.5006 141 I 4.0359 7.8629 112.0190 62.9235 37.8262 177.4386 142 E 4.1671 8.3809 123.1486 59.0338 29.0997 178.8098 143 K 4.3214 7.6017 121.9830 56.3316 32.4627 182.1237 144 L 4.4494 6.9528 119.6717 57.0452 40.9410 176.7845 145 R 4.5619 7.8069 116.7908 55.5742 34.3031 176.1351 146 G 4.1795 8.3857 102.0911 48.5137 0.0000 174.5253 147 D 4.6946 8.3657 116.0409 53.8183 41.0915 178.2890 148 V 3.5529 6.6418 118.4575 60.5131 32.2251 176.6220 149 G 3.9848 8.0682 103.3038 44.7447 0.0000 173.9371 150 A 3.9485 8.5328 119.9292 54.1249 18.2126 179.8325 151 R 3.8525 8.1230 117.0091 59.9121 29.9350 178.7521 152 V 3.6508 7.1991 115.8437 65.9805 31.5149 177.8805 153 I 3.8774 7.5417 118.3487 64.2745 37.4905 177.8856 154 L 4.1272 8.3369 120.0367 58.1440 41.3286 179.1142 155 N 4.5378 7.9185 117.3174 55.7574 39.5576 176.6131 156 K 4.5246 7.1237 124.1816 53.3453 31.5604 177.3085 157 I 4.5252 7.2613 122.1841 59.2957 41.3707 174.5974 158 K 3.8494 8.9275 124.0498 56.7983 32.2584 177.6133 159 I 3.4408 8.7093 118.6839 63.7930 37.2763 177.4325 160 E 4.2193 8.1801 116.8923 57.8244 29.8470 176.9231 161 E 4.5258 9.2617 119.9731 56.5888 30.3886 175.3335 162 L 4.7161 7.5291 119.3761 53.8380 43.2340 175.5938 163 C 5.1944 8.3701 118.5666 55.1650 44.3791 172.9829 164 F 5.9448 8.9583 120.0430 54.8425 41.7739 174.5379 165 I 4.6755 8.2814 122.8544 59.3399 40.6244 174.4175 166 E 4.8437 8.8691 126.3329 56.6406 30.4303 175.6830 167 C 5.0563 8.9562 122.0813 57.1287 32.6753 173.6219 168 S 4.2187 9.5500 115.4790 58.3738 62.8429 175.2173 169 E 3.5316 8.5508 120.1637 58.2868 29.8110 178.5759 170 G 4.1775 7.9426 107.9628 48.3402 0.0000 175.7762 171 V 3.8578 7.1476 119.4585 63.8229 31.5914 177.1142 172 L 4.6957 8.4331 117.5957 54.3498 42.8862 176.1777 173 I 4.6790 8.0703 112.7361 58.8136 39.8067 174.5598 174 D 5.0933 8.3009 120.5672 51.8795 42.5483 176.1152 175 I 4.1856 8.4315 125.2318 60.8734 35.4859 176.8426 176 D 4.6125 7.9970 121.9419 53.0207 40.4499 176.7803 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 3 I 8.01 4.30 1.82 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 1.28 1.16 0.75 0.00 0.00 4 G 8.34 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 0.00 0.00 0.00 5 V 9.54 4.56 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 0.53 0.00 0.00 0.88 0.00 0.00 6 I 8.10 4.63 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.91 0.00 0.00 7 I 8.69 4.52 1.76 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 0.80 0.53 0.82 0.00 0.00 8 L 8.75 4.59 0.00 1.58 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.73 4.73 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 10 A 8.17 4.44 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 11 G 8.51 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 D 8.28 3.75 0.00 2.64 2.72 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 20 K 7.63 4.11 0.00 1.67 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.04 7.81 21 L 7.45 4.15 0.00 1.56 1.65 0.87 0.59 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 22 L 7.85 3.98 0.00 1.61 1.65 0.92 0.94 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 23 A 7.12 4.03 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 24 K 8.23 5.21 0.00 1.69 1.71 0.00 1.77 0.00 0.00 2.46 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.35 7.81 25 I 8.23 4.10 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.98 0.00 0.00 26 D 8.40 4.65 0.00 2.79 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 27 N 8.54 4.42 0.00 2.89 2.97 0.00 0.00 6.87 7.54 0.00 0.00 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 T 7.54 4.60 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 29 P 0.00 5.42 0.00 2.02 2.10 0.00 3.71 0.00 0.00 4.34 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 30 I 8.50 3.70 1.73 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 1.33 0.74 0.83 0.00 0.00 31 I 7.37 3.60 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.87 0.00 0.00 *33 R 8.13 4.26 0.00 2.00 1.90 0.00 3.37 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 34 T 8.73 3.89 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 1.37 0.00 0.00 35 I 7.96 4.03 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.93 0.00 0.00 36 R 8.00 4.05 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 37 I 7.45 4.07 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.32 0.87 0.00 0.00 38 Y 7.94 4.39 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.43 3.80 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 0.00 0.00 0.00 40 D 8.93 4.82 0.00 2.68 2.72 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 41 L 7.66 4.17 0.00 1.87 1.65 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.81 4.18 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 43 K 8.59 5.07 0.00 1.62 1.67 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.74 7.81 44 I 8.16 4.45 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.73 0.85 0.00 0.00 45 I 8.57 4.83 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.37 0.87 0.00 0.00 46 I 8.64 4.73 1.86 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 1.19 1.09 0.96 0.00 0.00 47 V 8.26 5.11 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 1.05 0.00 0.00 1.06 0.00 0.00 48 G 8.54 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.69 2.92 0.00 0.79 0.74 0.00 1.37 0.00 0.00 1.01 0.00 0.00 2.74 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.77 7.81 50 Y 7.26 4.66 0.00 2.90 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 51 V 7.41 3.62 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 0.75 0.00 0.00 0.75 0.00 0.00 52 N 8.08 4.37 0.00 2.65 2.84 0.00 0.00 6.84 7.66 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 53 E 7.64 4.50 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 *55 L 8.00 4.39 0.00 1.69 1.72 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.33 0.00 2.01 2.11 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 57 L 7.79 4.13 0.00 1.59 1.69 0.90 0.85 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 58 L 8.09 4.43 0.00 1.59 1.54 0.89 0.82 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 *60 D 8.53 4.50 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 61 Q 7.94 4.64 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 62 I 8.00 4.13 1.76 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 1.17 0.83 0.69 0.00 0.00 63 V 8.30 4.79 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 0.79 0.00 0.00 0.89 0.00 0.00 64 I 8.38 4.38 1.69 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.12 0.84 0.00 0.00 65 Y 8.68 4.75 0.00 2.89 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 66 N 8.59 4.63 0.00 2.76 2.62 0.00 0.00 6.56 7.56 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 67 P 0.00 3.94 0.00 1.58 1.90 0.00 3.42 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 68 F 7.31 4.69 0.00 3.08 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 69 W 7.78 4.24 0.00 3.56 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 70 N 6.59 3.92 0.00 2.25 1.42 0.00 0.00 6.06 7.66 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 71 E 8.54 4.00 0.00 2.13 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 2.25 2.23 0.00 72 G 7.43 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 0.00 0.00 0.00 73 I 9.33 3.70 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.36 0.98 0.00 0.00 74 S 8.17 4.16 0.00 4.08 4.17 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 75 T 8.10 3.82 4.33 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 1.25 0.00 0.00 76 S 8.04 4.21 0.00 4.05 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 77 L 8.14 3.98 0.00 1.86 1.83 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.40 3.90 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 79 L 8.22 4.26 0.00 2.07 1.90 1.07 1.03 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 80 G 8.27 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 89 A 7.42 4.84 0.75 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 90 V 8.75 4.43 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 0.55 0.00 0.00 1.01 0.00 0.00 91 L 8.45 4.27 0.00 1.65 1.45 0.99 0.88 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 92 V 8.24 3.83 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 0.76 0.00 0.00 0.93 0.00 0.00 93 A 8.92 4.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.30 4.73 0.00 1.54 1.68 0.95 0.90 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 95 G 9.18 3.75 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 96 D 7.90 4.61 0.00 2.86 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 *98 P 0.00 4.16 0.00 1.73 1.96 0.00 3.39 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.40 0.00 99 F 7.40 4.62 0.00 3.15 3.05 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 0.00 100 V 7.56 3.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 101 T 7.81 4.71 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 1.21 0.00 0.00 102 K 8.45 3.94 0.00 1.80 1.82 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.62 7.81 103 E 8.02 3.89 0.00 2.02 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 2.37 2.40 0.00 104 D 8.00 4.36 0.00 2.99 2.70 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 0.00 105 V 8.17 3.58 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 1.05 0.00 0.00 0.68 0.00 0.00 106 N 8.45 4.42 0.00 2.92 2.85 0.00 0.00 7.03 7.90 0.00 0.00 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0.00 0.00 0.00 1.91 1.89 0.00 115 N 8.04 4.41 0.00 2.74 2.74 0.00 0.00 6.66 7.66 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 0.00 116 C 7.80 4.91 0.00 2.96 3.23 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 0.00 117 K 8.98 4.33 0.00 1.69 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.20 7.81 118 A 7.32 4.79 1.15 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 0.00 0.00 119 V 8.57 4.47 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 1.09 0.00 0.00 1.03 0.00 0.00 120 I 8.53 4.71 1.34 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.35 0.93 0.00 0.00 121 P 0.00 4.93 0.00 2.16 2.20 0.00 3.74 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 2.15 2.08 0.00 122 T 9.60 4.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 123 H 9.70 5.09 0.00 3.29 3.14 0.00 6.02 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 10.16 3.80 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 0.94 7.81 125 G 8.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.78 4.76 0.00 2.09 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 2.24 2.21 0.00 127 R 8.48 4.98 0.00 2.05 2.10 0.00 3.21 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 128 G 9.46 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.56 5.30 0.00 2.68 2.70 0.00 0.00 7.20 7.32 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 0.00 130 P 0.00 4.70 0.00 2.14 2.16 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 131 V 8.40 4.00 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 0.92 0.00 0.00 0.98 0.00 0.00 132 L 8.96 4.76 0.00 1.67 1.67 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.29 4.63 1.97 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 1.31 0.62 1.01 0.00 0.00 134 S 8.52 4.90 0.00 4.13 4.27 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 0.00 135 K 8.77 2.00 0.00 1.74 1.89 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.37 7.81 136 S 7.83 4.32 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.87 4.44 0.00 1.80 1.79 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.62 0.00 3.06 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 0.00 139 N 8.21 4.91 0.00 2.82 2.74 0.00 0.00 6.99 7.66 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 0.00 140 E 8.08 4.30 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 141 I 7.86 4.04 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 1.05 0.00 0.00 142 E 8.38 4.17 0.00 2.21 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 0.00 2.31 2.44 0.00 143 K 7.60 4.32 0.00 1.89 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.30 7.81 144 L 6.95 4.45 0.00 1.76 1.71 0.99 1.10 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 0.00 145 R 7.81 4.56 0.00 1.69 1.80 0.00 3.38 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 146 G 8.39 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 0.00 0.00 0.00 0.00 147 D 8.37 4.69 0.00 2.61 2.64 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 0.00 148 V 6.64 3.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 149 G 8.07 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 0.00 150 A 8.53 3.95 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 0.00 151 R 8.12 3.85 0.00 1.88 2.05 0.00 3.16 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 152 V 7.20 3.65 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 0.84 0.00 0.00 0.95 0.00 0.00 153 I 7.54 3.88 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 0.94 0.00 0.00 154 L 8.34 4.13 0.00 1.84 1.73 0.92 0.57 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 0.00 155 N 7.92 4.54 0.00 2.84 2.95 0.00 0.00 6.87 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.12 4.52 0.00 1.94 1.60 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.31 7.81 157 I 7.26 4.53 1.95 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 1.43 0.92 0.97 0.00 0.00 158 K 8.93 3.85 0.00 2.05 1.80 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.46 7.81 159 I 8.71 3.44 1.97 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 1.50 0.60 0.96 0.00 0.00 160 E 8.18 4.22 0.00 2.12 2.14 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 2.29 2.34 0.00 161 E 9.26 4.53 0.00 1.93 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 2.26 2.44 0.00 162 L 7.53 4.72 0.00 1.86 1.41 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.37 5.19 0.00 2.75 2.92 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 0.00 164 F 8.96 5.94 0.00 2.89 2.99 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 0.00 165 I 8.28 4.68 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.95 0.00 0.00 166 E 8.87 4.84 0.00 1.93 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 2.43 2.30 0.00 167 C 8.96 5.06 0.00 2.82 3.18 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 0.00 168 S 9.55 4.22 0.00 3.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.55 3.53 0.00 1.85 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 2.27 0.00 170 G 7.94 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 0.00 0.00 0.00 0.00 171 V 7.15 3.86 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 1.32 0.00 0.00 1.03 0.00 0.00 172 L 8.43 4.70 0.00 1.76 1.71 1.09 1.00 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 0.00 173 I 8.07 4.68 1.89 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.88 0.00 0.00 174 D 8.30 5.09 0.00 2.92 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 0.00 175 I 8.43 4.19 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.94 0.00 0.00 176 D 8.00 4.61 0.00 2.65 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.