NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2106 8.1727 122.0598 56.3283 34.1521 174.0589 2 V 4.5297 8.2249 126.9902 61.1067 32.1535 173.6496 3 Y 4.2818 9.3904 127.1599 57.7366 39.2346 174.8941 4 D 4.4395 8.7305 121.8701 53.8527 42.5002 177.0244 5 R 3.1181 8.5951 125.0670 59.9632 29.9475 179.6309 6 C 4.3303 8.0938 115.3417 59.5825 40.5147 175.5076 7 E 3.8586 8.4969 121.2775 59.0831 29.1412 178.6878 8 L 3.8159 8.2578 120.4190 57.9628 42.0797 178.5710 9 A 4.0030 7.9699 120.7742 55.4349 18.3116 179.8286 10 R 3.8440 8.2510 116.3074 59.4306 30.0130 179.2508 11 A 4.0269 8.1271 120.5348 54.9300 18.3446 179.8031 12 L 3.8072 8.1205 117.7892 57.7819 41.6270 179.5258 13 K 3.9118 8.3249 119.6455 59.5468 31.9140 178.7041 14 A 4.0317 7.9784 119.9030 54.7042 18.3159 178.7497 15 S 4.5048 7.4874 111.3790 58.0399 63.0393 174.7911 16 G 3.9067 7.5984 109.6889 46.6232 0.0000 175.2402 17 M 3.7459 7.9461 121.9902 57.1184 32.0826 175.5561 18 D 4.5743 7.8865 117.2958 57.3224 40.5118 175.6258 19 G 4.0069 9.4102 115.8386 44.9286 0.0000 171.0403 20 Y 4.0124 8.3721 122.0101 58.5808 38.9366 175.8980 21 A 3.6094 8.8668 130.2565 53.2508 16.2654 177.4815 22 G 3.7963 8.5104 105.4942 47.3248 0.0000 174.0532 23 N 4.6645 8.1113 118.4693 50.9607 39.1182 175.1878 24 S 4.8368 8.3446 118.3337 57.5846 64.3657 174.8106 25 L 4.1702 9.3156 123.8747 58.5053 41.6329 177.7348 26 P 4.4306 0.0000 0.0000 65.6360 31.1524 178.3048 27 N 4.3669 8.1670 115.4339 56.2573 38.5885 177.4931 28 W 4.1696 7.8920 119.7850 59.5407 29.2264 178.7812 29 V 3.7962 8.0581 118.4865 65.9738 31.0976 177.1961 30 C 3.3024 8.2697 118.6799 59.3266 43.8731 175.2851 31 L 4.0478 7.8603 121.7722 58.3950 41.6339 179.1261 32 S 4.2878 8.0810 114.6188 61.3726 62.9036 176.4308 33 K 2.6479 7.9485 122.2105 59.2049 31.6603 178.8579 34 W 4.2351 7.6377 116.8154 59.3144 29.0931 178.2940 35 E 4.3942 8.4700 118.6074 58.5175 29.3035 177.6649 36 S 4.5504 7.9107 109.2318 56.6743 64.7045 174.0322 37 S 3.3297 8.2766 115.5759 60.1111 60.6776 171.9167 38 Y 3.6455 7.5449 112.8391 58.9526 35.3234 168.9063 39 N 5.2725 7.7501 120.1924 51.9850 39.0206 175.7592 40 T 4.0143 8.8893 118.1214 64.2887 68.8784 175.6431 41 Q 4.4164 8.1350 119.1511 55.6205 29.3618 175.5980 42 A 4.3341 7.9634 122.4370 52.3365 19.3953 177.0059 43 T 5.3248 8.2954 111.0008 58.8560 72.3561 173.3414 44 N 4.7278 8.1913 122.0593 52.3853 41.8374 172.9223 45 R 4.6302 8.6052 127.2161 55.9731 31.3574 175.2028 46 N 5.1088 9.4784 123.9273 51.4087 41.1786 176.0945 47 T 3.8136 8.6932 110.8989 64.7182 68.6874 174.6452 48 D 4.5354 8.0493 118.8640 53.2153 39.8108 177.0565 49 G 3.9447 8.3412 109.6923 45.1381 0.0000 173.9937 50 S 4.6948 8.4729 115.1407 58.0152 65.2597 173.3335 51 T 4.9393 9.1579 116.5083 61.9539 72.9185 172.6591 52 D 5.3523 8.8181 124.6694 53.1778 43.2260 175.0911 53 Y 4.9594 8.9748 120.7803 57.4499 41.5813 177.2533 54 G 4.1043 8.9605 112.3406 45.3137 0.0000 173.3470 55 I 3.7061 8.1460 116.7973 62.9383 37.8497 177.2864 56 F 4.8370 7.9206 115.4386 56.5263 39.8539 175.4326 57 Q 3.5156 7.8807 119.1333 57.0840 26.5665 174.0961 58 I 4.2366 8.1979 119.3214 61.1425 39.3153 176.7261 59 N 5.4669 9.1257 125.9252 53.1825 40.0153 175.5490 60 S 4.6371 9.2450 120.3836 60.2507 63.3354 175.2551 61 R 3.7942 8.8550 122.6467 58.6304 30.3661 177.5580 62 Y 4.1862 7.7693 114.7411 57.5249 40.4452 176.8282 63 W 4.9516 8.0761 118.4086 57.3237 31.4243 173.7991 64 C 5.9881 8.1371 111.6009 52.6870 45.7034 172.9653 65 D 4.9432 9.0348 120.3252 52.8746 41.9957 176.2368 66 D 4.6464 8.8562 124.2840 52.3552 40.2657 176.8844 67 G 3.9546 8.4268 107.4776 46.3505 0.0000 174.4263 68 R 4.6139 8.3768 112.4793 55.6035 30.7037 174.5497 69 T 4.5206 7.8581 115.4005 61.2436 70.1083 172.3913 70 P 4.2522 0.0000 0.0000 63.4420 32.4925 176.4199 71 G 3.7117 8.4883 109.8644 46.4392 0.0000 173.1460 72 A 4.6441 7.5970 119.6092 50.6865 20.7973 177.7634 73 K 4.2310 8.3143 119.2319 55.3352 34.1645 176.0667 74 N 4.1492 7.9861 116.7683 54.6571 36.9197 174.6717 75 V 3.7260 8.1597 119.1799 65.9758 32.3469 176.3343 76 C 4.5392 8.7611 116.1459 57.4876 40.3144 173.5116 77 G 3.8211 7.8299 107.1584 46.6312 0.0000 173.0288 78 I 4.7124 7.5746 110.7781 58.3823 41.5093 174.0504 79 R 4.6009 8.3956 119.0275 55.6755 30.8141 177.8021 80 C 4.1633 8.5939 119.7407 59.6093 34.9996 176.6443 81 S 3.9553 7.8423 115.4995 61.1407 62.3462 175.8907 82 Q 4.2103 7.7393 119.7948 57.5061 28.6649 177.1556 83 L 4.4631 7.8749 119.6083 55.0286 41.8042 177.3697 84 L 5.6254 7.7340 117.4756 53.7974 42.3219 176.7397 85 T 4.2993 7.6218 109.1213 61.0701 69.7049 174.4953 86 D 4.5026 8.5618 122.3089 57.2072 41.1099 176.9235 87 D 4.5351 7.9640 118.9238 54.0404 41.5766 176.2690 88 L 4.2863 8.5290 125.6456 55.6607 41.9845 178.5848 89 T 3.8362 7.6806 116.9333 67.0109 68.4968 176.2763 90 V 3.6046 7.7591 118.9596 65.7366 31.5865 177.6286 91 A 4.1273 8.0092 120.1356 55.3451 18.2262 179.5804 92 I 3.5209 8.1363 118.5936 64.4091 37.0387 178.6105 93 R 3.7074 7.8791 119.6219 59.4475 29.7772 177.8348 94 C 4.1972 8.3241 118.0348 59.5358 41.8201 175.1594 95 A 3.9020 8.1079 122.7043 55.2528 17.5717 179.7085 96 K 3.5324 7.5355 115.8437 59.4823 32.1528 179.2580 97 R 4.0572 7.5759 118.9924 59.1983 29.9364 178.6838 98 V 2.5418 7.5304 118.3463 65.6695 31.3562 177.9428 99 V 4.0032 7.8852 110.1372 62.6669 31.2940 177.6906 100 L 4.2980 7.6359 118.5605 55.6108 42.0563 176.8728 101 D 4.6936 7.3538 118.9771 53.0812 41.5324 175.3574 102 P 4.2416 0.0000 0.0000 65.9996 31.5228 177.6316 103 N 4.4796 8.2513 113.6049 53.1549 39.7714 176.2403 104 G 4.0301 8.1895 108.5366 47.0373 0.0000 174.6256 105 I 3.9751 7.8403 118.7813 62.5131 38.0402 178.3706 106 G 3.8856 7.6073 107.8940 47.8803 0.0000 174.8228 107 A 3.9258 7.7308 122.9094 54.3172 18.8261 178.3041 108 W 4.5827 8.2210 116.8348 55.6765 30.2080 177.5075 109 V 3.7144 8.6632 124.0501 66.0931 31.0507 177.7213 110 A 4.1207 8.2227 119.6473 54.7103 18.1589 179.5431 111 W 3.9181 8.3523 126.5496 60.7783 30.7641 178.0669 112 R 3.7636 7.9310 116.2359 59.3019 29.5737 178.5509 113 L 3.8535 7.6264 118.7157 57.8479 42.3816 177.8798 114 H 4.2969 7.7542 113.3919 55.7515 29.7275 174.9309 115 C 4.5489 7.1575 117.2192 57.4141 42.5551 174.1366 116 Q 3.2334 6.9112 120.9598 57.0720 28.6052 175.8498 117 N 4.1891 8.6192 120.5575 53.7612 36.1338 173.5012 118 Q 4.3745 7.3884 118.9858 54.1617 30.9761 174.1782 119 D 4.6266 8.4410 120.2022 53.6247 41.5063 175.4996 120 L 4.9993 8.4332 125.4610 54.8122 42.5757 178.3036 121 R 4.0074 8.1318 122.4478 59.5518 29.3419 178.6349 122 S 4.1345 8.1881 113.5353 61.7294 62.4688 176.0312 123 Y 4.1576 7.9188 119.4183 59.9180 38.0142 176.9392 124 V 4.2932 7.7395 110.6300 60.6029 32.8091 175.3905 125 A 4.1995 7.4524 123.8316 53.3846 18.4608 178.2299 126 G 3.9498 8.8988 110.4220 46.0655 0.0000 174.9140 127 C 4.3900 8.1664 116.5965 56.8380 40.6744 173.8061 128 G 3.9706 8.1274 107.1330 46.3853 0.0000 173.9367 129 V 4.0343 7.6621 116.9927 61.3056 32.7161 175.6807 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.21 0.00 1.91 1.78 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.16 7.81 2 V 8.22 4.53 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 0.92 0.00 0.00 0.96 0.00 0.00 3 Y 9.39 4.28 0.00 2.89 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 4 D 8.73 4.44 0.00 2.79 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 5 R 8.60 3.12 0.00 1.71 1.82 0.00 3.55 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 6 C 8.09 4.33 0.00 3.13 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 7 E 8.50 3.86 0.00 2.14 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 2.46 2.32 0.00 8 L 8.26 3.82 0.00 1.71 1.61 0.45 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.97 4.00 1.42 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 10 R 8.25 3.84 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 11 A 8.13 4.03 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 12 L 8.12 3.81 0.00 1.82 1.64 1.03 0.74 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 13 K 8.32 3.91 0.00 1.87 2.02 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 A 7.98 4.03 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 15 S 7.49 4.50 0.00 3.88 3.76 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 16 G 7.60 3.91 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 0.00 0.00 0.00 17 M 7.95 3.75 0.00 1.08 1.89 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 18 D 7.89 4.57 0.00 2.67 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 19 G 9.41 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.37 4.01 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.87 3.61 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.51 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 23 N 8.11 4.66 0.00 3.06 2.19 0.00 0.00 6.77 7.18 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 24 S 8.34 4.84 0.00 4.07 4.04 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 25 L 9.32 4.17 0.00 2.00 1.83 1.02 1.27 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 26 P 0.00 4.43 0.00 2.29 2.45 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 27 N 8.17 4.37 0.00 2.60 2.47 0.00 0.00 6.91 7.79 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 28 W 7.89 4.17 0.00 3.52 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 29 V 8.06 3.80 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 1.31 0.00 0.00 1.10 0.00 0.00 30 C 8.27 3.30 0.00 2.06 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 31 L 7.86 4.05 0.00 1.89 1.83 0.35 0.06 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 32 S 8.08 4.29 0.00 4.29 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 33 K 7.95 2.65 0.00 1.77 1.46 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.52 1.40 7.81 34 W 7.64 4.24 0.00 3.39 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.47 4.39 0.00 2.09 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 0.00 2.68 2.70 0.00 36 S 7.91 4.55 0.00 4.08 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 37 S 8.28 3.33 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 3.65 0.00 3.24 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 39 N 7.75 5.27 0.00 2.77 2.85 0.00 0.00 6.98 7.57 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 40 T 8.89 4.01 4.37 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 1.44 0.00 0.00 41 Q 8.14 4.42 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 42 A 7.96 4.33 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 43 T 8.30 5.32 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 1.24 0.00 0.00 44 N 8.19 4.73 0.00 2.84 2.72 0.00 0.00 6.76 7.65 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 45 R 8.61 4.63 0.00 1.80 1.77 0.00 3.44 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 46 N 9.48 5.11 0.00 2.94 2.71 0.00 0.00 6.63 6.93 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 47 T 8.69 3.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 D 8.05 4.54 0.00 2.79 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 49 G 8.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.47 4.69 0.00 3.90 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 51 T 9.16 4.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 52 D 8.82 5.35 0.00 2.68 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 53 Y 8.97 4.96 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.96 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 55 I 8.15 3.71 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.77 -0.30 0.00 0.00 56 F 7.92 4.84 0.00 3.31 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 57 Q 7.88 3.52 0.00 2.52 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 58 I 8.20 4.24 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 1.07 0.00 0.00 59 N 9.13 5.47 0.00 3.07 3.02 0.00 0.00 6.98 7.14 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 60 S 9.25 4.64 0.00 4.01 4.31 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 61 R 8.85 3.79 0.00 1.58 0.94 0.00 2.81 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.33 0.00 62 Y 7.77 4.19 0.00 1.50 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 0.00 0.00 0.00 0.00 63 W 8.08 4.95 0.00 3.56 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.14 5.99 0.00 2.95 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 65 D 9.03 4.94 0.00 2.78 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 66 D 8.86 4.65 0.00 2.82 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 67 G 8.43 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 0.00 0.00 0.00 68 R 8.38 4.61 0.00 1.91 1.97 0.00 3.07 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 69 T 7.86 4.52 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 1.15 0.00 0.00 70 P 0.00 4.25 0.00 2.14 2.03 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 71 G 8.49 3.71 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 0.00 0.00 0.00 72 A 7.60 4.64 1.30 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 0.00 0.00 0.00 73 K 8.31 4.23 0.00 1.60 1.74 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.25 7.81 74 N 7.99 4.15 0.00 2.87 2.72 0.00 0.00 6.86 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 75 V 8.16 3.73 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.76 0.00 0.00 76 C 8.76 4.54 0.00 3.36 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 77 G 7.83 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 78 I 7.57 4.71 1.99 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 1.47 1.31 0.98 0.00 0.00 79 R 8.40 4.60 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 80 C 8.59 4.16 0.00 2.03 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 81 S 7.84 3.96 0.00 4.04 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 0.00 82 Q 7.74 4.21 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 83 L 7.87 4.46 0.00 1.96 1.82 1.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.73 5.63 0.00 1.81 1.74 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.62 4.30 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 1.23 0.00 0.00 86 D 8.56 4.50 0.00 2.71 2.78 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 0.00 0.00 0.00 0.00 87 D 7.96 4.54 0.00 2.64 2.60 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 88 L 8.53 4.29 0.00 1.71 1.61 0.72 0.29 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 89 T 7.68 3.84 4.23 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 1.19 0.00 0.00 90 V 7.76 3.60 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 1.06 0.00 0.00 0.93 0.00 0.00 91 A 8.01 4.13 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 92 I 8.14 3.52 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.64 0.00 0.00 93 R 7.88 3.71 0.00 1.88 2.11 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 94 C 8.32 4.20 0.00 3.07 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 95 A 8.11 3.90 0.73 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 0.00 0.00 96 K 7.54 3.53 0.00 1.54 1.26 0.00 1.27 0.00 0.00 0.82 0.00 0.00 2.32 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.87 7.81 97 R 7.58 4.06 0.00 1.89 2.04 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 98 V 7.53 2.54 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 -0.13 0.00 0.00 -0.66 0.00 0.00 99 V 7.89 4.00 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 1.40 0.00 0.00 1.43 0.00 0.00 100 L 7.64 4.30 0.00 1.74 1.77 1.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.35 4.69 0.00 3.07 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 0.00 102 P 0.00 4.24 0.00 2.02 2.13 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 103 N 8.25 4.48 0.00 2.71 2.81 0.00 0.00 7.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.19 4.03 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 0.00 0.00 0.00 105 I 7.84 3.98 1.09 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 0.12 0.50 -0.77 0.00 0.00 106 G 7.61 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 0.00 107 A 7.73 3.93 0.93 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 0.00 108 W 8.22 4.58 0.00 3.70 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 0.00 109 V 8.66 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 110 A 8.22 4.12 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.35 3.92 0.00 3.42 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.93 3.76 0.00 2.09 2.01 0.00 3.33 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 113 L 7.63 3.85 0.00 1.67 1.10 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.75 4.30 0.00 2.03 1.98 0.00 5.85 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 0.00 115 C 7.16 4.55 0.00 2.01 2.75 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 0.00 116 Q 6.91 3.23 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.20 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 117 N 8.62 4.19 0.00 2.78 2.86 0.00 0.00 6.94 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.39 4.37 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 119 D 8.44 4.63 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 5.00 0.00 1.87 1.87 0.97 0.96 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 0.00 121 R 8.13 4.01 0.00 2.15 1.96 0.00 3.22 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 122 S 8.19 4.13 0.00 3.85 4.03 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 0.00 123 Y 7.92 4.16 0.00 3.28 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 0.00 124 V 7.74 4.29 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 1.01 0.00 0.00 1.04 0.00 0.00 125 A 7.45 4.20 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 0.00 126 G 8.90 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 0.00 0.00 0.00 127 C 8.17 4.39 0.00 3.15 3.16 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 0.00 128 G 8.13 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 0.00 129 V 7.66 4.03 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 0.74 0.00 0.00 0.96 0.00 0.00