NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 Q 4.2274 8.2027 121.7013 55.8832 31.3799 176.8576 21 S 3.8354 7.8675 112.0749 60.6305 62.1490 174.2506 22 A 3.7841 7.9539 123.5607 54.9811 18.5394 178.6718 23 Q 3.8038 7.9048 117.6205 59.2479 29.1407 177.9457 24 E 3.9275 7.8632 119.8467 59.2889 29.6492 178.9409 25 I 3.2719 7.3136 119.5241 64.2492 37.0949 178.4132 26 L 3.9674 7.9370 119.9347 57.8805 41.3790 179.3649 27 D 4.3502 8.2690 119.0188 57.3894 40.6400 179.0372 28 R 3.9262 7.8514 118.6666 59.0456 30.0218 179.2918 29 V 3.6844 7.8199 118.0583 65.9715 31.3581 177.5386 30 E 3.9590 7.9998 117.6215 59.4987 29.5286 178.7339 31 K 4.1649 7.8292 117.1478 59.4130 32.2135 178.6969 32 N 4.5558 8.4402 116.3519 55.1347 39.0783 175.0656 33 L 4.9064 7.7659 120.6312 54.4371 42.3440 177.3598 34 S 4.4919 8.3532 113.3061 59.4216 63.8424 173.6992 35 T 4.6782 7.5971 110.7361 58.9263 71.1822 172.1935 36 P 5.0914 0.0000 0.0000 62.5983 32.4879 175.4618 37 W 5.5267 7.9785 118.7693 55.7237 31.7540 172.8818 38 Q 4.7759 9.0690 117.6181 55.1302 32.1676 173.2489 39 A 5.0771 8.5919 120.7564 51.7392 23.8615 174.9747 40 T 4.9403 8.9857 115.7374 61.8503 71.5981 173.8170 41 V 4.9366 8.9421 126.6888 61.1900 34.2329 174.1379 42 Q 4.9336 9.1828 128.3657 54.5625 32.9770 174.7734 43 G 4.3939 8.1503 110.9633 45.9800 0.0000 171.7919 44 R 5.1728 7.9674 114.7453 54.4892 32.1257 175.7137 45 I 4.6650 8.5692 110.5751 60.6243 39.3711 174.1065 *51 E 4.5876 7.9315 121.4490 56.5626 30.4522 174.2739 52 E 4.8444 9.0254 124.0604 54.7300 34.7943 173.6745 53 E 4.8099 8.7269 122.0574 55.2778 31.1594 174.8193 54 L 5.0667 9.0011 128.8730 53.2772 45.0376 174.7561 55 L 5.4069 8.8571 126.9822 53.6250 45.7344 174.7011 56 A 4.9589 9.1039 126.0821 51.1246 23.4084 174.7901 57 R 4.8886 8.9461 118.7115 54.4079 33.0141 175.6980 58 V 4.5247 8.4979 122.4415 61.1654 34.8926 173.8418 59 Y 4.6593 8.3580 123.6889 55.9393 42.1372 174.2573 60 A 4.7353 8.2865 124.4766 50.0372 22.7081 174.9344 61 L 4.8734 8.7408 124.2250 51.8851 41.9740 174.7427 62 P 4.2731 0.0000 0.0000 65.2771 31.8494 178.6496 63 Q 3.8885 8.2423 116.5871 58.4580 28.9828 176.4587 64 A 4.4635 7.9540 117.6044 51.0141 19.7207 176.3256 65 R 3.8625 7.9079 114.8537 57.5740 28.4564 175.5574 66 L 5.0647 7.7417 116.0453 53.0207 45.0412 176.3413 67 F 5.2571 8.9681 124.2512 56.6729 43.4497 173.1478 68 R 5.0706 8.4330 124.9982 54.6075 33.9074 173.6264 69 V 4.6337 8.9947 125.6907 61.0044 34.7735 173.7231 70 E 5.1855 9.1461 127.4442 54.6356 32.3140 175.0476 71 F 5.0146 9.2974 124.0537 56.8417 40.1988 176.4820 72 L 4.6572 9.3720 122.2299 55.3868 44.3327 177.0164 73 K 4.8275 7.8667 116.1226 54.1403 37.1631 175.1891 74 P 4.8228 0.0000 0.0000 61.6453 33.3739 176.8541 75 G 3.7379 8.7452 106.1886 48.9142 0.0000 175.8884 76 S 4.2077 8.0669 113.1021 60.0564 63.3791 174.6203 77 L 4.4168 7.8335 119.5901 54.0338 43.0252 175.6509 78 E 4.1440 7.4403 119.2730 58.3888 29.5496 176.7474 79 G 3.8175 8.9616 115.5281 45.1923 0.0000 173.2562 80 N 5.1497 8.5189 117.6357 53.6801 40.0663 174.0685 81 F 5.6996 8.6621 113.9191 56.4486 41.9765 173.0894 82 T 5.3993 9.6766 116.7802 61.9488 72.3389 173.0332 83 V 4.8861 9.3300 126.1114 61.1750 34.4423 174.0923 84 I 4.9104 9.2658 128.9328 59.7392 40.0701 174.8068 85 T 5.1950 8.6404 115.8711 58.3032 71.6110 173.9031 86 E 4.0490 8.8118 118.8788 58.9438 30.0063 178.2918 87 K 4.1136 8.0688 119.8234 58.2890 32.8002 175.4402 88 E 4.9161 8.5482 115.1470 55.0757 33.9569 173.5737 89 V 4.8977 9.1764 119.2312 60.9011 34.6412 173.9725 90 W 5.4846 9.5006 127.5367 55.1261 32.0589 174.5282 91 N 5.3678 9.4486 122.0490 51.7234 40.7933 172.6716 92 Y 4.7071 8.7645 126.8540 56.2533 40.7683 174.1768 93 L 4.4824 8.0167 127.5775 53.1555 41.6447 176.6697 94 Y 3.7338 9.2908 126.7161 60.5879 38.8941 178.8735 95 L 4.1972 8.0539 117.6637 57.1221 41.8251 177.8818 96 T 4.2206 7.0528 104.1275 60.3574 69.4267 173.6130 97 N 4.0184 7.2094 119.6126 53.8742 38.2310 172.8523 98 Q 4.8685 7.3913 114.1752 53.8077 32.3474 175.3132 99 L 4.9551 8.9096 126.3669 53.3742 44.0296 175.1350 100 V 4.4086 8.8665 128.4991 62.2188 32.9420 174.6014 101 I 5.0849 8.8060 129.6569 59.8954 39.3054 174.9809 102 S 4.8395 9.1013 122.7976 57.4822 67.0384 172.9269 103 P 4.3016 0.0000 0.0000 64.1106 30.0060 177.4797 *128 Q 4.3529 9.2796 123.4687 56.5763 31.3054 174.7155 129 V 3.7634 7.7434 115.9015 63.2207 32.5047 176.0228 130 D 4.7388 7.9939 127.1549 53.6771 39.1790 174.5812 131 L 4.5754 7.8461 121.0882 54.4092 43.0986 176.7120 132 R 4.6455 9.1722 121.0125 54.1485 34.8873 174.1669 133 L 4.2563 8.4317 124.8470 55.1361 41.9710 175.8770 134 E 4.1419 9.2664 128.4317 56.3226 30.6287 177.0243 135 G 4.0047 6.8471 105.7344 45.8892 0.0000 170.1149 136 E 5.3982 8.3240 119.0712 54.7803 33.1520 175.9690 137 V 4.5279 8.6852 119.0941 60.3550 35.2829 173.3642 138 R 4.4371 8.5644 124.1525 55.9103 30.7266 175.4650 139 L 4.7289 8.5231 125.8977 51.8155 44.8444 175.5829 140 P 4.2195 0.0000 0.0000 66.0591 31.1546 178.1656 141 E 3.9739 7.8763 115.4500 57.2771 29.9384 175.5783 142 G 3.7001 7.7237 104.9547 43.7191 0.0000 172.4165 143 M 4.3883 8.4655 119.0463 55.5498 32.9850 175.7754 144 A 4.8678 8.7297 123.5275 49.9551 23.5798 174.7839 145 W 5.0220 9.2028 119.7184 55.6891 31.3374 175.6416 146 K 4.3178 9.3982 126.0290 54.8270 33.4025 174.7125 147 L 5.0513 8.6200 128.3672 53.3165 44.1195 176.2767 148 V 4.8819 8.8870 115.2524 59.9655 36.2215 174.8222 149 G 4.4478 8.5240 107.9620 45.4870 0.0000 172.3909 150 R 4.9369 8.6015 122.7204 55.8386 32.2292 173.1409 151 S 3.5590 8.9771 126.2067 57.8837 63.1822 172.2029 *155 Q 4.0079 8.5199 122.3316 55.6396 30.3246 175.7049 156 G 4.1001 8.0138 104.7695 45.6711 0.0000 172.9971 157 F 4.9852 7.1401 112.7679 55.3300 40.9412 173.8262 158 A 4.4209 9.3593 123.4343 54.2660 20.2760 176.9673 159 A 5.2494 8.1137 114.8602 51.7346 23.1377 174.9755 160 M 5.0982 9.0879 115.4528 54.0990 35.3347 173.7813 161 E 4.8685 9.0373 119.2300 54.3551 33.3240 174.8097 162 L 4.6496 8.4752 125.8264 53.3450 45.3217 174.3690 163 Y 5.0327 8.5399 124.3475 56.3744 40.3595 174.7047 164 I 4.9208 8.5781 125.1556 58.9273 40.6227 174.9155 165 L 4.0460 8.6091 130.0275 55.4464 42.4746 178.0620 166 K 2.8112 8.3609 126.3156 59.0828 32.2075 178.4803 167 A 4.0380 7.7128 119.8802 54.7373 18.4259 177.0560 168 D 4.5052 7.3439 113.8316 50.8644 41.2557 169.6979 169 P 4.6336 0.0000 0.0000 61.6969 31.3145 175.4036 170 R 4.4021 7.7437 117.4514 54.2725 32.2357 172.4942 171 P 4.6323 0.0000 0.0000 62.8962 31.6713 176.1503 172 L 4.6571 8.8630 122.4099 55.4129 45.0994 176.4169 173 R 5.1348 7.3547 116.1208 55.3260 33.6423 173.5002 174 F 5.1243 9.6333 124.4607 55.6323 42.6745 174.1516 175 V 4.7713 8.6328 123.3800 61.1087 34.6351 173.8842 176 F 5.0603 9.2298 126.9704 55.7028 41.2519 174.8065 177 L 5.4276 9.3834 123.5015 53.1616 45.5470 176.4263 178 D 4.7367 8.6949 121.6345 52.3980 42.0642 176.4721 179 E 3.9886 9.0087 116.8078 59.8761 29.4146 178.3268 180 K 4.1616 8.1918 114.9265 56.7761 32.5039 177.5483 181 G 3.9686 8.2073 107.8320 44.8894 0.0000 173.6707 182 K 4.1092 8.4525 122.0039 55.6116 32.7833 176.2796 183 V 4.1931 8.3483 126.1135 63.0814 31.9753 175.2445 184 L 4.6140 9.1392 127.4907 56.4773 43.0262 177.1420 185 A 4.9076 7.7830 118.6066 50.7955 23.0705 175.1747 186 D 5.0319 9.4208 121.0293 52.8143 44.1790 173.5966 187 L 5.2706 9.2413 126.6846 52.8133 44.4334 175.9146 188 K 5.0310 9.3052 123.4091 54.7200 35.4027 175.9956 189 V 4.4783 8.6821 125.0134 62.2024 30.4389 175.8641 190 V 4.0594 8.5679 121.4060 62.8662 32.3633 176.3899 191 E 4.8973 8.0625 118.9290 54.8903 34.0431 174.0292 192 F 5.3037 8.6312 123.3819 57.2605 42.8423 173.2723 193 K 4.2899 7.6974 124.5317 55.3172 35.9390 174.7911 194 R 4.4915 8.3998 126.3836 56.5782 31.1654 176.1942 195 T 4.3916 8.2021 115.4490 61.5001 69.9824 171.5106 196 N 5.0671 8.6176 117.7375 51.9850 41.5925 174.3719 197 L 5.0390 8.2557 123.4167 52.5462 46.1277 175.8755 198 T 4.7348 8.5080 110.5880 59.2109 73.0378 174.9813 199 E 3.9215 8.5908 119.5942 59.4897 29.3694 178.9614 200 A 3.9734 7.8873 120.5021 54.9627 18.4495 179.3271 201 Q 3.9176 7.6649 116.4977 59.2374 28.7627 178.8605 202 L 3.9039 7.7411 118.0228 56.5187 41.6234 178.1011 203 K 4.6110 7.8452 117.3078 55.8213 32.3030 176.7676 204 R 4.1213 7.3731 116.2441 56.4751 29.9603 175.3669 205 Y 4.8620 7.1799 115.7966 55.1052 40.7641 172.5956 206 P 4.2670 0.0000 0.0000 62.3999 31.7225 178.0291 207 K 4.1457 8.6909 123.4753 58.9397 32.1510 177.3189 208 D 4.7298 7.9580 115.9761 52.7815 39.6945 176.1744 209 A 4.5939 7.7808 121.9023 52.1522 19.3061 177.2907 210 Q 4.3416 8.9675 123.3407 54.7982 30.6329 174.8696 211 V 4.2376 8.3213 127.0139 62.5277 32.7767 175.2746 212 V 4.1804 8.6848 127.9817 61.2812 33.4624 174.1229 213 R 4.7927 8.3945 129.3473 54.7452 30.9695 176.1332 214 R 4.2416 8.7542 125.4820 56.4748 29.7833 176.7167 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 20 Q 8.20 4.23 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 21 S 7.87 3.84 0.00 3.91 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 22 A 7.95 3.78 1.22 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 23 Q 7.90 3.80 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 24 E 7.86 3.93 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 25 I 7.31 3.27 1.65 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.21 0.53 0.00 0.00 26 L 7.94 3.97 0.00 1.77 1.68 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.27 4.35 0.00 2.80 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 28 R 7.85 3.93 0.00 2.03 2.00 0.00 2.98 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 29 V 7.82 3.68 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 0.94 0.00 0.00 0.94 0.00 0.00 30 E 8.00 3.96 0.00 2.02 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 2.36 2.41 0.00 31 K 7.83 4.16 0.00 1.78 1.88 0.00 1.91 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 32 N 8.44 4.56 0.00 2.82 3.06 0.00 0.00 7.08 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.77 4.91 0.00 1.73 1.75 0.51 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.35 4.49 0.00 4.04 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 35 T 7.60 4.68 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 1.28 0.00 0.00 36 P 0.00 5.09 0.00 2.39 1.99 0.00 3.94 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 2.13 1.95 0.00 37 W 7.98 5.53 0.00 3.15 3.10 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 38 Q 9.07 4.78 0.00 1.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 39 A 8.59 5.08 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.99 4.94 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 1.22 0.00 0.00 41 V 8.94 4.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 42 Q 9.18 4.93 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 43 G 8.15 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 0.00 0.00 0.00 0.00 44 R 7.97 5.17 0.00 1.98 2.03 0.00 3.22 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 45 I 8.57 4.67 1.88 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 1.35 0.69 0.96 0.00 0.00 *51 E 7.93 4.59 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 2.21 2.55 0.00 52 E 9.03 4.84 0.00 1.90 1.77 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 2.22 2.24 0.00 53 E 8.73 4.81 0.00 2.00 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 2.28 2.43 0.00 54 L 9.00 5.07 0.00 1.82 1.55 1.21 0.35 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 55 L 8.86 5.41 0.00 1.81 1.56 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.10 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.95 4.89 0.00 1.77 1.62 0.00 3.17 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 58 V 8.50 4.52 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 0.66 0.00 0.00 0.88 0.00 0.00 59 Y 8.36 4.66 0.00 2.56 2.54 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 0.00 0.00 0.00 0.00 60 A 8.29 4.74 0.20 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 0.00 0.00 61 L 8.74 4.87 0.00 1.65 1.46 0.93 1.19 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 62 P 0.00 4.27 0.00 2.51 2.22 0.00 3.71 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 2.59 2.28 0.00 63 Q 8.24 3.89 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 64 A 7.95 4.46 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 65 R 7.91 3.86 0.00 2.01 1.98 0.00 3.18 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 66 L 7.74 5.06 0.00 1.56 1.47 0.85 0.78 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 67 F 8.97 5.26 0.00 2.99 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 68 R 8.43 5.07 0.00 1.74 1.56 0.00 3.08 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 69 V 8.99 4.63 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 0.22 0.00 0.00 0.85 0.00 0.00 70 E 9.15 5.19 0.00 1.92 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 2.27 0.00 71 F 9.30 5.01 0.00 3.21 3.02 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 72 L 9.37 4.66 0.00 1.60 1.71 0.94 0.81 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 73 K 7.87 4.83 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 P 0.00 4.82 0.00 2.28 2.23 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 75 G 8.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.07 4.21 0.00 3.95 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 77 L 7.83 4.42 0.00 1.67 1.46 0.53 0.35 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 78 E 7.44 4.14 0.00 2.18 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 2.21 2.40 0.00 79 G 8.96 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 80 N 8.52 5.15 0.00 2.98 2.92 0.00 0.00 6.35 7.71 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 81 F 8.66 5.70 0.00 3.31 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 82 T 9.68 5.40 4.49 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 1.49 0.00 0.00 83 V 9.33 4.89 2.19 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 0.51 0.00 0.00 1.40 0.00 0.00 84 I 9.27 4.91 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.93 0.00 0.00 85 T 8.64 5.19 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 0.88 0.00 0.00 86 E 8.81 4.05 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 87 K 8.07 4.11 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 88 E 8.55 4.92 0.00 2.32 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 2.15 2.36 0.00 89 V 9.18 4.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.97 0.00 0.00 90 W 9.50 5.48 0.00 3.36 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 91 N 9.45 5.37 0.00 2.60 2.71 0.00 0.00 6.25 7.02 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 92 Y 8.76 4.71 0.00 2.05 1.44 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 0.00 93 L 8.02 4.48 0.00 1.29 1.39 0.81 0.45 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 94 Y 9.29 3.73 0.00 3.15 3.02 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 95 L 8.05 4.20 0.00 1.68 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.05 4.22 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 97 N 7.21 4.02 0.00 2.88 2.77 0.00 0.00 7.23 6.18 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 98 Q 7.39 4.87 0.00 1.87 1.87 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 2.27 2.35 0.00 99 L 8.91 4.96 0.00 1.73 1.39 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.87 4.41 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 1.00 0.00 0.00 0.92 0.00 0.00 101 I 8.81 5.08 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.65 1.08 0.00 0.00 102 S 9.10 4.84 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.30 0.00 2.06 1.82 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 *128 Q 9.28 4.35 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 129 V 7.74 3.76 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 1.00 0.00 0.00 1.28 0.00 0.00 130 D 7.99 4.74 0.00 2.90 2.56 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 0.00 131 L 7.85 4.58 0.00 1.54 1.52 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 132 R 9.17 4.65 0.00 1.58 1.71 0.00 3.25 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 133 L 8.43 4.26 0.00 1.48 1.49 1.00 0.78 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 0.00 134 E 9.27 4.14 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 135 G 6.85 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 0.00 0.00 0.00 136 E 8.32 5.40 0.00 1.95 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 2.18 2.25 0.00 137 V 8.69 4.53 2.15 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 0.80 0.00 0.00 0.92 0.00 0.00 138 R 8.56 4.44 0.00 1.80 1.84 0.00 3.15 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 139 L 8.52 4.73 0.00 1.71 1.42 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.22 0.00 1.99 2.09 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 141 E 7.88 3.97 0.00 1.85 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 2.25 2.33 0.00 142 G 7.72 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 0.00 143 M 8.47 4.39 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 144 A 8.73 4.87 1.17 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 0.00 0.00 145 W 9.20 5.02 0.00 3.30 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 0.00 146 K 9.40 4.32 0.00 1.81 1.66 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 0.70 7.81 147 L 8.62 5.05 0.00 1.46 1.41 0.79 0.57 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 0.00 148 V 8.89 4.88 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 0.67 0.00 0.00 0.89 0.00 0.00 149 G 8.52 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 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0.00 2.11 2.19 0.00 3.83 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.41 0.00 170 R 7.74 4.40 0.00 1.25 1.50 0.00 2.21 0.00 0.00 2.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 0.00 171 P 0.00 4.63 0.00 2.05 1.73 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 172 L 8.86 4.66 0.00 1.46 1.59 0.83 0.60 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 0.00 173 R 7.35 5.13 0.00 1.78 1.74 0.00 2.85 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 174 F 9.63 5.12 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.63 4.77 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 0.93 0.00 0.00 1.06 0.00 0.00 176 F 9.23 5.06 0.00 2.91 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 0.00 177 L 9.38 5.43 0.00 1.61 1.60 0.96 0.92 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 0.00 178 D 8.69 4.74 0.00 2.85 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 0.00 179 E 9.01 3.99 0.00 2.00 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 0.00 2.34 2.30 0.00 180 K 8.19 4.16 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.39 7.81 181 G 8.21 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 0.00 0.00 0.00 182 K 8.45 4.11 0.00 1.83 2.15 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.41 7.81 183 V 8.35 4.19 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 0.95 0.00 0.00 0.97 0.00 0.00 184 L 9.14 4.61 0.00 1.73 1.77 1.10 0.81 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 0.00 185 A 7.78 4.91 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 0.00 186 D 9.42 5.03 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 9.24 5.27 0.00 1.79 1.66 0.98 1.16 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 0.00 188 K 9.31 5.03 0.00 1.76 1.70 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 189 V 8.68 4.48 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.17 0.00 0.00 190 V 8.57 4.06 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 0.73 0.00 0.00 1.04 0.00 0.00 191 E 8.06 4.90 0.00 1.89 1.80 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 2.31 2.32 0.00 192 F 8.63 5.30 0.00 2.96 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 0.00 193 K 7.70 4.29 0.00 1.74 1.42 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.34 7.81 194 R 8.40 4.49 0.00 1.76 1.88 0.00 3.39 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 195 T 8.20 4.39 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 1.28 0.00 0.00 196 N 8.62 5.07 0.00 2.65 2.62 0.00 0.00 6.59 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 8.26 5.04 0.00 1.55 1.42 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 198 T 8.51 4.73 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 1.18 0.00 0.00 199 E 8.59 3.92 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 200 A 7.89 3.97 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 0.00 201 Q 7.66 3.92 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 202 L 7.74 3.90 0.00 1.52 1.60 0.82 0.42 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 0.00 203 K 7.85 4.61 0.00 1.94 2.06 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.26 7.81 204 R 7.37 4.12 0.00 1.73 1.99 0.00 2.91 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.29 0.00 205 Y 7.18 4.86 0.00 3.04 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 0.00 206 P 0.00 4.27 0.00 2.08 1.96 0.00 3.34 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.93 0.00 207 K 8.69 4.15 0.00 1.71 1.88 0.00 1.68 0.00 0.00 1.34 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.29 7.81 208 D 7.96 4.73 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.78 4.59 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.97 4.34 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 211 V 8.32 4.24 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 0.70 0.00 0.00 0.75 0.00 0.00 212 V 8.68 4.18 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 0.95 0.00 0.00 0.88 0.00 0.00 213 R 8.39 4.79 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 214 R 8.75 4.24 0.00 1.82 1.83 0.00 3.41 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.