NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3726 8.3349 115.4031 57.9635 64.2953 172.9976 2 L 4.5340 8.1191 122.1829 50.6286 44.4125 175.7900 3 S 4.4549 9.5936 122.0868 57.4059 66.3898 174.6973 4 A 3.9331 8.4440 123.6159 55.2824 18.0532 179.8375 5 A 3.9326 7.9029 118.8155 55.3249 18.5012 179.7503 6 Q 3.8839 8.0792 116.5733 59.0068 28.7896 179.0569 7 K 3.8123 8.0660 119.4769 59.6172 32.0723 179.1213 8 D 4.3522 8.2319 119.1460 57.2157 40.7015 178.3962 9 N 4.3248 8.1802 117.6060 56.6741 39.0356 177.0608 10 V 3.3061 7.7298 119.8602 66.0204 31.4768 178.0780 11 T 3.9808 7.9693 109.4868 65.0734 68.7357 176.7080 12 S 4.2015 8.3474 118.6918 61.1319 62.8059 176.8288 13 S 4.4838 8.4739 117.0754 61.3336 62.7612 176.3203 14 W 4.3971 8.8409 131.8852 60.1535 30.6011 177.5819 15 A 3.8817 8.1783 120.7810 55.2207 17.5432 179.8556 16 K 3.9051 7.7898 115.1386 59.6653 32.5326 179.3073 17 A 2.9677 7.9608 121.2856 54.5087 18.0245 179.5705 18 S 3.4046 7.7458 111.9272 61.3105 62.1289 176.3444 19 A 4.0483 7.6582 121.6199 54.0292 18.2439 178.3875 20 A 4.5699 7.3537 117.2313 51.8187 19.3956 178.1867 21 W 4.2605 7.9265 130.3842 60.9852 30.3057 178.0450 22 G 3.8244 8.2926 104.8500 47.4747 0.0000 174.4057 23 T 4.3854 7.7065 109.6162 62.5537 70.5299 176.2667 24 A 4.1407 8.3199 123.9525 54.3587 18.3664 179.5218 25 G 2.0257 6.8948 104.5562 47.2350 0.0000 174.1018 26 P 4.2345 0.0000 0.0000 64.9308 31.2913 178.6424 27 E 3.9183 7.5099 116.9649 59.0803 29.3799 178.8952 28 F 3.2369 8.0092 121.0776 61.1747 39.2154 177.1019 29 F 2.8147 7.6864 117.0184 60.4127 38.5098 177.6517 30 M 3.8532 7.7399 117.9239 58.1355 31.7011 178.6147 31 A 3.8913 7.6401 120.9186 54.9068 18.5621 179.3396 32 L 3.6702 7.1608 118.6687 58.4424 41.8540 179.3684 33 F 4.6612 8.0170 116.4496 60.6793 38.8109 177.1786 34 D 4.4517 8.2762 118.2868 57.2520 40.6901 178.3177 35 A 4.3945 8.3247 120.8101 53.6871 18.9777 176.9350 36 H 4.7210 8.4549 113.9228 53.2484 31.0716 173.5168 37 D 4.5443 8.7833 125.4073 57.1236 40.8775 177.5173 38 D 4.4724 8.1606 118.7942 56.1704 39.8508 178.4487 39 V 3.8782 7.8121 119.3452 65.8951 31.7951 177.3958 40 F 3.9409 8.4098 120.0612 61.4408 39.2410 176.5904 41 A 3.9327 8.1836 120.1291 55.5039 17.8431 179.5433 42 K 4.0194 7.8511 114.5110 58.2363 32.3276 178.3907 43 F 4.4995 8.1550 118.1195 57.0866 39.0606 177.2862 44 S 4.0823 7.6970 116.7794 61.6099 62.3600 176.9660 45 G 3.4229 7.8322 108.4533 47.4979 0.0000 175.0355 46 L 3.7557 7.7360 122.1738 57.5527 42.3016 177.6596 47 F 4.7683 8.2240 114.8444 57.0661 39.0183 176.0768 48 S 3.9179 8.9990 115.9635 59.6210 60.5634 173.4452 49 G 3.9048 8.3002 107.2834 45.2756 0.0000 174.7558 50 A 4.1580 7.5828 121.5241 51.7063 19.0050 177.4794 51 A 4.3216 8.2055 122.5325 51.4350 19.6070 177.8666 52 K 3.0633 8.7687 122.3317 59.4535 32.0010 178.9136 53 G 4.1152 7.7106 104.5847 46.2762 0.0000 173.9058 54 T 4.5023 7.7390 114.7224 62.6781 70.4909 175.3953 55 V 3.7994 7.3609 114.2217 61.8957 32.3898 177.7487 56 K 3.6859 8.1478 120.9226 59.6119 31.7168 176.8435 57 N 4.8268 7.9232 112.4668 53.3323 38.8180 175.9391 58 T 4.2271 7.7102 110.2870 60.9699 70.9569 173.5761 59 P 4.2984 0.0000 0.0000 65.8000 31.3361 178.9342 60 E 3.9804 8.2096 117.1351 59.4215 29.3381 178.8309 61 M 4.0300 8.1187 117.9478 58.6329 32.4473 178.0200 62 A 3.9718 8.0121 120.6708 55.2232 18.6086 179.5409 63 A 3.9816 7.9576 119.2144 55.3585 18.5105 179.6390 64 Q 3.9533 8.4865 118.3179 59.1395 29.0029 178.4476 65 A 4.4885 8.3574 122.3092 55.5110 18.6222 179.6762 66 Q 4.2474 8.2362 116.0819 59.1236 28.5288 179.3535 67 S 4.1901 8.2540 116.2402 61.4625 63.0353 176.2210 68 F 4.1904 8.5927 123.4056 61.4201 39.1661 177.0507 69 K 4.0328 8.6071 119.3057 59.5125 31.7878 178.9863 70 G 3.5304 8.0794 105.6950 47.3611 0.0000 175.5647 71 L 3.4698 7.1940 121.1862 57.6285 42.0213 178.9652 72 V 3.1503 6.7334 117.6016 66.0119 31.3324 178.1814 73 S 4.1017 7.9615 114.7945 61.6572 62.4335 176.4797 74 N 4.3239 7.3832 118.4512 55.9464 38.4925 177.1789 75 W 4.4922 8.0319 120.6046 59.8585 28.9106 178.6965 76 V 3.5206 7.6965 117.1398 65.9062 31.0434 177.0711 77 D 4.7221 7.8621 115.4826 55.0822 40.9334 176.2059 78 N 5.0998 8.1220 117.5014 52.7485 39.9045 176.4847 79 L 3.8914 8.2325 120.4494 57.4419 41.7465 177.8273 80 D 4.7571 7.9611 116.1130 53.8720 41.1352 176.3536 81 N 4.8123 8.1144 120.2013 50.3475 39.0397 174.1668 82 A 4.0415 8.4222 125.1677 54.6315 18.5391 179.2145 83 G 3.5424 8.0709 103.2491 47.9718 0.0000 175.5127 84 A 4.0229 8.3100 123.7030 54.7330 18.3537 179.5939 85 L 4.0062 8.1388 117.6734 57.9867 41.6946 179.3113 86 E 4.2509 8.2160 120.9607 58.6820 29.0222 179.2069 87 G 3.6093 7.9512 105.4930 47.9408 0.0000 175.6577 88 Q 4.1272 8.1225 120.6279 58.9963 28.6812 178.7730 89 C 4.5423 8.6023 117.8684 62.6609 28.1153 176.0243 90 K 3.9669 8.1847 121.2092 59.9272 31.7587 178.9213 91 T 3.8991 7.6671 114.9945 66.5938 68.4320 176.2318 92 F 4.3154 8.3123 122.0167 61.5438 39.4495 177.0598 93 A 3.7428 8.6288 120.3792 54.9292 18.1722 179.4009 94 A 3.9285 8.1898 119.3443 55.3913 18.2405 179.6463 95 N 4.2389 8.2425 114.1318 56.8918 38.8606 177.1665 96 H 4.1136 8.1077 117.5782 58.4704 28.6502 177.6796 97 K 3.8205 8.5915 121.6694 59.4487 31.8087 178.3698 98 A 4.0978 7.6789 118.6832 53.8472 18.3053 177.9796 99 R 4.1749 7.7970 115.6186 55.6837 30.3419 177.3298 100 G 3.8834 8.3388 106.4077 45.6367 0.0000 173.8313 101 I 4.2525 7.3740 119.8978 60.3635 38.4246 176.4249 102 S 4.6185 8.9732 119.8331 57.2094 65.7702 175.4188 103 A 4.1717 8.4967 123.8866 55.2277 18.0414 180.1503 104 G 3.6123 8.1006 103.8819 48.1343 0.0000 175.8284 105 Q 4.0644 8.0334 120.1881 58.6804 28.7737 178.7323 106 L 4.1150 7.9410 119.6599 57.7936 41.6750 179.1304 107 E 4.2037 8.6662 119.2420 59.2935 29.5866 178.5761 108 A 4.0502 8.2630 120.6900 55.2034 18.3366 179.4330 109 A 4.0516 8.0591 118.9713 55.5697 18.5313 179.9393 110 F 4.4465 8.3504 116.4451 60.4025 39.0153 178.1189 111 K 4.2954 8.3026 120.1027 59.6312 32.4533 179.4279 112 V 3.7177 8.0381 119.8848 65.5126 31.4556 177.5955 113 L 4.0822 8.7395 120.8007 58.2165 41.7647 179.0829 114 S 4.3292 8.5785 114.3702 61.5747 63.0069 176.8247 115 G 3.6643 8.2307 109.2619 47.3929 0.0000 175.4282 116 F 4.1539 8.5225 123.1776 61.3576 39.3632 177.0580 117 M 4.2934 8.2784 117.8870 57.7337 31.5814 178.5786 118 K 4.2322 7.8053 120.1184 58.9747 31.9938 178.9912 119 S 4.0719 7.6113 113.4589 60.2215 62.5464 174.5184 120 Y 4.3252 7.8421 119.1582 57.5971 37.9928 176.6734 121 G 3.9785 8.1431 106.7385 45.3804 0.0000 174.6879 122 G 3.9274 7.8953 109.4216 45.2024 0.0000 172.5657 123 D 4.9462 8.8806 123.2602 53.1625 42.3233 176.6984 124 E 4.2526 9.1447 128.1708 59.4707 29.7251 178.9881 125 G 3.5972 8.6178 105.6256 47.7199 0.0000 175.6458 126 A 3.9894 8.2546 122.9820 54.5927 18.3993 179.6241 127 W 3.8315 8.3264 117.5136 60.1692 29.1426 178.8665 128 T 3.9060 8.4657 115.7894 66.5762 67.7765 176.6019 129 A 3.9167 7.9271 122.3687 55.0439 18.4474 179.7705 130 V 3.2498 7.5967 116.5739 66.0689 31.4815 178.1673 131 A 3.2614 8.0907 120.8079 54.6140 18.0690 179.8769 132 G 3.4480 7.8727 104.2613 47.5414 0.0000 175.9763 133 A 3.8595 7.9728 123.2643 54.9266 18.4090 179.7277 134 L 3.6373 7.4909 117.4197 58.1026 41.5790 179.7257 135 M 4.1778 8.1914 119.0377 58.1307 31.5627 179.0269 136 G 3.5769 7.6712 105.3611 47.4634 0.0000 175.0613 137 E 4.2317 7.6834 119.0540 58.2426 29.6442 178.9525 138 I 3.9249 7.6633 120.0676 64.1441 37.4449 177.1720 139 E 3.8786 8.2183 120.1073 59.2441 29.1487 177.0869 140 P 4.2498 0.0000 0.0000 65.6622 31.0931 176.7307 141 N 4.7624 7.9106 113.6154 53.4445 39.2384 174.7662 142 M 4.2391 8.4836 125.6787 55.5723 32.0315 176.0135 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 S 8.33 4.37 0.00 3.96 3.90 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 2 L 8.12 4.53 0.00 1.59 1.50 0.77 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.59 4.45 0.00 3.99 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 4 A 8.44 3.93 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 5 A 7.90 3.93 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 6 Q 8.08 3.88 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 7 K 8.07 3.81 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 8 D 8.23 4.35 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 9 N 8.18 4.32 0.00 2.88 2.94 0.00 0.00 6.83 7.75 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 10 V 7.73 3.31 1.65 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 0.02 0.00 0.00 -0.18 0.00 0.00 11 T 7.97 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 S 8.35 4.20 0.00 4.08 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 13 S 8.47 4.48 0.00 4.50 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 0.00 14 W 8.84 4.40 0.00 3.91 3.30 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 15 A 8.18 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.79 3.91 0.00 2.10 2.09 0.00 1.97 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.72 7.81 17 A 7.96 2.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.75 3.40 0.00 2.75 3.57 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 19 A 7.66 4.05 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 20 A 7.35 4.57 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 21 W 7.93 4.26 0.00 3.34 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 22 G 8.29 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 23 T 7.71 4.39 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 24 A 8.32 4.14 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 25 G 6.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.23 0.00 2.07 2.03 0.00 3.38 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 27 E 7.51 3.92 0.00 2.46 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 2.53 2.53 0.00 28 F 8.01 3.24 0.00 1.51 2.35 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 29 F 7.69 2.81 0.00 2.70 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 0.00 0.00 0.00 0.00 30 M 7.74 3.85 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.78 0.00 31 A 7.64 3.89 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 32 L 7.16 3.67 0.00 0.78 0.90 0.90 0.45 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 33 F 8.02 4.66 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 34 D 8.28 4.45 0.00 2.79 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 35 A 8.32 4.39 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 36 H 8.45 4.72 0.00 3.28 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.78 4.54 0.00 2.77 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 38 D 8.16 4.47 0.00 2.93 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 39 V 7.81 3.88 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 1.51 0.00 0.00 1.07 0.00 0.00 40 F 8.41 3.94 0.00 3.04 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 41 A 8.18 3.93 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 42 K 7.85 4.02 0.00 1.75 1.61 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 43 F 8.16 4.50 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 44 S 7.70 4.08 0.00 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.83 3.42 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 46 L 7.74 3.76 0.00 1.44 1.43 0.22 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.22 4.77 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.00 3.92 0.00 4.07 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 49 G 8.30 3.90 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 0.00 50 A 7.58 4.16 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 51 A 8.21 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.77 3.06 0.00 1.03 1.49 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.48 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 0.42 7.81 53 G 7.71 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.74 4.50 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 V 7.36 3.80 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 0.27 0.00 0.00 0.55 0.00 0.00 56 K 8.15 3.69 0.00 1.63 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 57 N 7.92 4.83 0.00 2.73 2.79 0.00 0.00 6.92 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 58 T 7.71 4.23 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 59 P 0.00 4.30 0.00 2.20 2.16 0.00 3.64 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 2.13 2.19 0.00 60 E 8.21 3.98 0.00 2.21 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 2.56 2.40 0.00 61 M 8.12 4.03 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 62 A 8.01 3.97 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 63 A 7.96 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.49 3.95 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 65 A 8.36 4.49 1.46 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 0.00 0.00 66 Q 8.24 4.25 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 67 S 8.25 4.19 0.00 4.23 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 68 F 8.59 4.19 0.00 3.62 3.65 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 69 K 8.61 4.03 0.00 1.23 1.92 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.35 7.81 70 G 8.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.19 3.47 0.00 1.33 0.87 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 72 V 6.73 3.15 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 -0.47 0.00 0.00 0.22 0.00 0.00 73 S 7.96 4.10 0.00 3.92 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 74 N 7.38 4.32 0.00 2.49 2.76 0.00 0.00 7.08 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 75 W 8.03 4.49 0.00 3.39 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 76 V 7.70 3.52 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 0.87 0.00 0.00 0.73 0.00 0.00 77 D 7.86 4.72 0.00 2.73 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 78 N 8.12 5.10 0.00 2.72 2.74 0.00 0.00 6.94 6.26 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 79 L 8.23 3.89 0.00 1.55 1.64 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.96 4.76 0.00 2.63 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 81 N 8.11 4.81 0.00 2.63 2.73 0.00 0.00 7.07 7.64 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 82 A 8.42 4.04 1.29 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 0.00 0.00 83 G 8.07 3.54 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 0.00 0.00 0.00 84 A 8.31 4.02 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 85 L 8.14 4.01 0.00 1.87 1.73 0.80 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.22 4.25 0.00 2.11 2.06 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 2.32 2.20 0.00 87 G 7.95 3.61 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 0.00 88 Q 8.12 4.13 0.00 2.52 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 89 C 8.60 4.54 0.00 3.27 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 90 K 8.18 3.97 0.00 2.09 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 91 T 7.67 3.90 4.46 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 1.26 0.00 0.00 92 F 8.31 4.32 0.00 3.19 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.74 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 94 A 8.19 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.24 4.24 0.00 2.69 2.83 0.00 0.00 7.12 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 96 H 8.11 4.11 0.00 2.91 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.59 3.82 0.00 1.85 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 98 A 7.68 4.10 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 99 R 7.80 4.17 0.00 1.79 1.83 0.00 2.97 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 100 G 8.34 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 0.00 0.00 0.00 101 I 7.37 4.25 2.02 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 1.43 0.53 0.96 0.00 0.00 102 S 8.97 4.62 0.00 4.05 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 0.00 103 A 8.50 4.17 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 0.00 104 G 8.10 3.61 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 0.00 105 Q 8.03 4.06 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 106 L 7.94 4.12 0.00 2.03 1.97 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.67 4.20 0.00 2.28 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 2.42 2.44 0.00 108 A 8.26 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.06 4.05 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.35 4.45 0.00 3.38 3.09 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 0.00 111 K 8.30 4.30 0.00 2.13 2.19 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.59 7.81 112 V 8.04 3.72 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 0.99 0.00 0.00 1.07 0.00 0.00 113 L 8.74 4.08 0.00 1.78 2.00 0.54 0.86 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 S 8.58 4.33 0.00 4.27 4.38 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 0.00 115 G 8.23 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.52 4.15 0.00 3.35 3.29 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 0.00 117 M 8.28 4.29 0.00 1.52 1.43 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.44 0.00 118 K 7.81 4.23 0.00 2.00 1.83 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.52 7.81 119 S 7.61 4.07 0.00 3.26 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.84 4.33 0.00 3.06 3.06 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 0.00 121 G 8.14 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 0.00 122 G 7.90 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 0.00 123 D 8.88 4.95 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.14 4.25 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 125 G 8.62 3.60 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 0.00 126 A 8.25 3.99 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 0.00 127 W 8.33 3.83 0.00 3.55 3.44 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 0.00 128 T 8.47 3.91 4.43 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 1.24 0.00 0.00 129 A 7.93 3.92 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 0.00 130 V 7.60 3.25 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 0.64 0.00 0.00 0.56 0.00 0.00 131 A 8.09 3.26 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 0.00 132 G 7.87 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.97 3.86 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 0.00 134 L 7.49 3.64 0.00 0.95 1.03 -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 135 M 8.19 4.18 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 136 G 7.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.68 4.23 0.00 1.98 1.97 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 2.25 2.26 0.00 138 I 7.66 3.92 1.98 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.75 1.05 0.00 0.00 139 E 8.22 3.88 0.00 2.28 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 2.33 2.38 0.00 140 P 0.00 4.25 0.00 2.24 2.21 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 141 N 7.91 4.76 0.00 2.88 2.91 0.00 0.00 7.02 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 0.00 142 M 8.48 4.24 0.00 1.97 2.10 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 2.65 2.81 0.00