NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9323 8.0544 120.3942 62.9180 32.5392 174.2457 2 H 4.5549 8.8342 127.1135 54.0237 30.6174 171.4110 3 L 4.8211 7.8451 127.1437 52.8674 45.0603 176.9469 4 T 4.2179 9.2869 113.9280 60.5051 71.0759 174.2440 5 P 3.8856 0.0000 0.0000 66.2210 31.1568 178.4777 6 E 3.8305 8.0895 117.7958 59.1493 29.3998 179.0767 7 E 3.8754 7.8437 118.4024 59.3978 29.6359 179.3581 8 K 3.8570 8.8436 119.6682 59.5181 31.9554 179.5799 9 S 4.0583 8.7422 115.7241 61.6485 62.6820 176.6632 10 A 3.9942 7.9408 123.4023 55.0099 17.9641 180.2180 11 V 3.6037 7.8777 111.2198 64.8855 31.5868 178.9040 12 T 3.9669 7.8889 109.3126 64.8912 68.2375 176.2205 13 A 4.0094 8.1704 123.0690 54.7409 18.6494 179.0978 14 L 3.7469 7.8783 118.9287 57.6895 42.0975 178.8089 15 W 4.3862 8.7648 128.8236 60.7534 30.5292 178.0133 16 G 3.6608 8.3206 104.3419 47.1443 0.0000 173.9339 17 K 4.4586 7.5103 117.7536 55.9459 32.5334 176.4139 18 V 3.8257 8.0303 120.9776 62.3727 32.0331 176.9166 19 N 4.5469 8.3448 125.5055 52.4700 36.1925 175.2096 20 V 3.5475 7.9648 119.7538 64.3025 31.7243 177.1356 21 D 4.4245 7.8729 116.5987 55.6881 40.9561 177.2249 22 E 4.4670 7.4259 117.7654 57.6068 31.1588 178.1427 23 V 3.5494 8.2789 119.6303 65.5680 31.4454 178.0730 24 G 3.7901 8.1280 104.9218 48.0128 0.0000 175.7280 25 G 3.5936 7.9909 108.0838 47.2091 0.0000 175.3235 26 E 3.8775 8.2192 121.4884 58.8714 29.5932 178.8057 27 A 3.8938 8.0899 120.9437 55.0243 18.6170 179.3794 28 L 3.9336 8.1135 119.0922 58.2122 42.3216 179.3309 29 G 3.5778 8.3255 106.0325 48.0119 0.0000 175.9065 30 R 3.8919 8.0916 120.6982 58.4776 29.9330 178.6510 31 L 4.0305 8.0990 120.5173 58.5276 41.5394 179.2868 32 L 3.9831 7.6814 119.5244 56.8924 41.2026 179.8433 33 V 3.5055 7.2866 117.2732 65.9501 31.6484 178.0442 34 V 3.5773 7.5705 116.7601 64.2748 32.6000 175.4709 35 Y 3.7899 7.4132 117.7614 54.0876 37.9051 174.0885 36 P 4.4543 0.0000 0.0000 64.4947 31.5402 178.3935 37 W 4.3693 7.8395 116.4325 59.4798 27.6550 178.0728 38 T 4.3413 7.5601 110.6566 64.5497 68.1026 176.3446 39 Q 4.2249 8.1993 121.3560 58.5625 28.3921 178.6345 40 R 3.8341 7.6652 116.3371 59.2226 29.2994 178.4296 41 F 4.1455 7.8356 116.2748 58.5908 39.0657 175.9891 42 F 4.4917 7.8857 117.2249 56.8481 39.6993 177.0071 43 E 4.0148 8.3603 123.8911 59.4990 29.3102 179.0593 44 S 4.4594 8.0289 111.0697 59.8444 63.4239 174.9722 45 F 4.5281 8.4368 120.0676 58.4668 39.7441 175.4236 46 G 4.0163 7.5493 105.4095 43.8969 0.0000 174.2407 47 D 4.4564 8.7900 125.0545 54.5542 41.2652 175.9190 48 L 4.8564 8.3652 125.6775 54.4451 43.1224 177.9188 49 S 4.2279 8.5386 115.3557 61.2641 63.0848 175.2455 50 T 4.5717 7.4473 111.6957 58.7547 72.1304 173.3803 51 P 4.2997 0.0000 0.0000 65.8091 31.2703 178.8318 52 D 4.3304 8.0223 117.1602 57.1231 40.6965 178.4050 53 A 3.9593 8.3750 121.6812 55.0902 18.2026 179.7526 54 V 3.5109 7.8886 115.6957 66.6754 31.7461 177.9765 55 M 4.2684 8.3683 117.3072 58.0515 31.8352 178.4888 56 G 3.9081 8.0971 104.4522 45.0956 0.0000 173.2868 57 N 4.3935 7.5681 121.0544 53.0654 39.1817 173.7760 58 P 4.2941 0.0000 0.0000 65.4715 31.4529 178.6310 59 K 3.8264 8.5414 119.3119 59.1297 31.7977 179.3313 60 V 3.7933 7.9736 118.1261 65.9766 31.5212 178.1183 61 K 3.9542 8.3404 118.1059 59.3223 31.5505 179.1212 62 A 3.9712 8.3481 121.4236 55.5535 18.3185 179.1460 63 H 4.2426 8.6624 117.1134 59.3714 29.9964 177.4637 64 G 3.7529 8.6069 108.0113 47.9384 0.0000 175.4568 65 K 4.0361 8.1695 121.9011 59.2225 32.0228 179.1055 66 K 4.0981 7.7916 118.5231 59.1174 31.9651 179.5970 67 V 3.7355 8.0595 118.7807 66.0852 31.4879 177.8960 68 L 4.4872 8.3245 120.2005 58.1527 41.9319 179.1999 69 G 3.7060 8.3079 105.4771 47.8141 0.0000 175.6456 70 A 4.1531 8.0486 123.3568 54.6728 18.3488 179.7767 71 F 4.0238 8.4325 116.4376 61.0169 38.8519 177.9694 72 S 4.2470 8.5868 113.6212 61.6636 62.8238 176.3118 73 D 4.6202 8.1680 121.5203 57.4927 40.5547 179.1778 74 G 3.6275 8.2805 106.1294 47.6881 0.0000 175.6743 75 L 3.8693 7.7612 120.2166 57.2328 41.6359 178.6968 76 A 4.2309 7.3996 118.2896 53.0355 19.7630 176.8317 77 H 4.8969 8.2620 115.5184 54.2034 29.8299 175.1795 78 L 4.2507 8.1052 120.3319 57.8109 42.0796 179.1724 79 D 4.4790 8.1094 117.2338 55.8787 39.5037 176.2985 80 N 4.9726 8.5005 117.5870 50.9694 39.0655 174.3845 81 L 4.0983 7.8509 122.3288 57.2760 42.1186 178.8636 82 K 4.0077 8.1388 117.5628 59.6515 32.1098 179.0493 83 G 3.7309 7.8135 106.5579 47.2572 0.0000 175.7523 84 T 3.6060 7.3574 117.0159 65.9301 68.6653 175.7835 85 F 4.6470 8.0987 117.2929 57.1266 39.2068 177.3254 86 A 3.9820 7.4428 122.8141 55.8385 18.1932 180.2898 87 T 3.8233 7.7744 113.3786 66.8299 68.6840 176.9807 88 L 4.1393 7.8921 120.2980 57.4152 41.5905 179.4034 89 S 4.0584 8.2650 113.6919 61.2274 62.3435 175.7047 90 E 3.9611 8.0790 122.0680 59.1326 29.2738 178.3366 91 L 3.9069 7.8054 120.1004 58.7519 42.1634 178.7651 92 H 4.1998 8.3691 115.9458 58.9829 28.5156 177.3644 93 C 4.1673 8.2323 120.1443 61.6930 27.9443 175.8974 94 D 4.2873 8.0237 119.8898 57.2194 40.8978 178.3265 95 K 4.1681 7.9847 116.6882 58.8211 32.5629 178.0928 96 L 4.2685 8.0969 116.5847 55.1563 42.1283 176.4537 97 H 4.3922 7.7263 114.8220 56.6394 26.7243 175.3494 98 V 3.6044 7.9975 118.3215 62.3383 32.2342 175.2750 99 D 4.3449 8.5675 126.8143 53.6501 41.4195 175.5810 100 P 4.0596 0.0000 0.0000 65.7500 31.3213 178.4799 101 E 3.9425 8.0709 117.4646 59.2825 29.4123 178.5170 102 N 4.3803 8.2174 117.1200 56.0440 38.5759 177.3063 103 F 4.4304 7.4049 119.4232 60.6839 38.9599 177.9004 104 R 4.0113 8.0533 117.1649 59.2930 29.9837 178.9390 105 L 3.8432 7.9945 118.7721 57.6307 41.4561 179.3099 106 L 4.1273 8.3062 120.5605 57.9222 42.0049 178.9989 107 G 3.8709 8.1457 105.5890 48.1296 0.0000 175.0792 108 N 4.3656 8.3387 119.5663 56.0232 38.5647 177.6685 109 V 3.6235 7.9566 119.3721 65.8167 31.6024 177.6228 110 L 3.7930 8.1564 120.3531 58.2214 41.8388 179.1158 111 V 3.5114 7.7755 118.0091 66.2477 31.4338 177.7468 112 C 4.0637 8.0553 116.4294 62.7442 27.9721 176.2697 113 V 3.3976 7.8864 120.0292 65.7969 31.0825 178.1360 114 L 3.6550 7.6529 118.3895 57.5146 41.1266 179.0717 115 A 3.6126 7.1730 120.6779 55.5506 18.0609 179.0901 116 H 4.0142 7.7590 115.0526 59.5332 29.9074 176.5665 117 H 4.2326 7.6417 116.5327 57.4530 29.2188 176.7493 118 F 4.8663 8.1662 117.5973 55.5277 39.3105 178.5735 119 G 3.7945 8.3371 109.0204 45.5183 0.0000 178.4122 120 K 3.9626 9.1436 129.6804 58.9545 32.1886 176.8604 121 E 4.2034 8.7583 117.6144 58.3649 29.7804 177.4979 122 F 4.5851 8.1579 123.0290 57.3043 37.7174 175.3438 123 T 4.2236 7.4440 115.8799 59.8386 71.4094 173.5708 124 P 4.1423 0.0000 0.0000 65.5014 31.3466 177.2169 125 P 4.2093 0.0000 0.0000 65.6517 31.3489 178.6674 126 V 3.5418 7.3528 118.3265 65.5779 31.3695 177.7457 127 Q 3.5875 8.3264 119.7233 58.9704 29.0019 177.9507 128 A 3.9840 8.0791 121.6126 55.2401 18.4668 179.4447 129 A 3.8679 7.8830 118.9182 55.7065 18.4256 179.5767 130 Y 3.9667 8.1577 115.2368 60.9644 37.9280 178.3340 131 Q 4.0812 8.7187 121.1015 59.4417 29.3202 178.8000 132 K 4.0345 8.0049 118.9457 59.2179 31.9037 179.6893 133 V 3.5722 7.5967 118.1409 66.2191 31.5124 178.6454 134 V 3.8749 8.3301 112.3005 64.3430 31.3378 178.5133 135 A 4.1305 8.3142 120.9411 54.9264 18.1977 179.9773 136 G 3.5096 7.9321 103.9089 47.9945 0.0000 176.2023 137 V 3.1577 8.1432 121.2319 65.3093 31.5656 177.9417 138 A 3.7837 8.1397 120.7942 55.1630 18.0145 179.1754 139 N 4.3605 8.0232 114.3613 56.6114 39.1569 176.7539 140 A 4.1142 7.8891 122.4450 55.0616 18.2728 179.6515 141 L 3.5367 7.4777 116.4537 56.9937 41.6250 178.4766 142 A 4.6477 7.4686 118.9454 52.4679 18.7736 178.3052 143 H 3.9194 7.7546 121.7804 60.0734 29.6224 177.6586 144 K 3.9262 7.5233 118.5322 58.9671 31.9200 177.4541 145 Y 4.5494 7.6553 115.8137 59.3193 38.4688 175.4097 146 H 4.5947 7.8169 121.9278 56.0474 28.7921 175.0090 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 V 8.05 3.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 2 H 8.83 4.55 0.00 3.17 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.85 4.82 0.00 1.53 1.43 0.77 0.86 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 4 T 9.29 4.22 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 1.26 0.00 0.00 5 P 0.00 3.89 0.00 2.26 2.33 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 E 8.09 3.83 0.00 2.05 2.02 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 2.38 2.45 0.00 7 E 7.84 3.88 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 8 K 8.84 3.86 0.00 1.62 1.80 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 9 S 8.74 4.06 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 10 A 7.94 3.99 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 11 V 7.88 3.60 1.78 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 0.48 0.00 0.00 0.77 0.00 0.00 12 T 7.89 3.97 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 1.29 0.00 0.00 13 A 8.17 4.01 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 14 L 7.88 3.75 0.00 1.88 2.07 0.78 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.76 4.39 0.00 3.75 3.28 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 16 G 8.32 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 17 K 7.51 4.46 0.00 1.92 1.98 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 18 V 8.03 3.83 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 -0.04 0.00 0.00 0.94 0.00 0.00 19 N 8.34 4.55 0.00 2.80 2.82 0.00 0.00 7.20 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 20 V 7.96 3.55 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 0.70 0.00 0.00 0.89 0.00 0.00 21 D 7.87 4.42 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.43 4.47 0.00 2.29 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 0.00 2.13 2.23 0.00 23 V 8.28 3.55 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 0.89 0.00 0.00 0.81 0.00 0.00 24 G 8.13 3.79 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 0.00 0.00 0.00 25 G 7.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.88 0.00 2.12 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 2.21 2.26 0.00 27 A 8.09 3.89 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 28 L 8.11 3.93 0.00 1.84 1.64 0.82 0.90 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 29 G 8.33 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 30 R 8.09 3.89 0.00 1.85 1.91 0.00 3.03 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 31 L 8.10 4.03 0.00 1.79 1.86 0.99 0.90 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 32 L 7.68 3.98 0.00 1.68 1.65 0.60 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.29 3.51 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 0.70 0.00 0.00 0.89 0.00 0.00 34 V 7.57 3.58 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.78 0.00 0.00 35 Y 7.41 3.79 0.00 2.62 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 36 P 0.00 4.45 0.00 2.27 2.24 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 37 W 7.84 4.37 0.00 3.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.56 4.34 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 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 39 Q 8.20 4.22 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 40 R 7.67 3.83 0.00 1.74 1.98 0.00 2.84 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.00 41 F 7.84 4.15 0.00 2.76 2.46 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 42 F 7.89 4.49 0.00 2.86 2.40 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 43 E 8.36 4.01 0.00 2.02 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 2.42 2.44 0.00 44 S 8.03 4.46 0.00 4.10 4.08 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 45 F 8.44 4.53 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.55 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.79 4.46 0.00 2.65 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 48 L 8.37 4.86 0.00 1.66 1.62 1.06 1.02 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 49 S 8.54 4.23 0.00 4.02 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 50 T 7.45 4.57 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 1.21 0.00 0.00 51 P 0.00 4.30 0.00 2.14 2.10 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 52 D 8.02 4.33 0.00 2.67 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 53 A 8.37 3.96 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 0.00 0.00 54 V 7.89 3.51 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 0.87 0.00 0.00 0.99 0.00 0.00 55 M 8.37 4.27 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 56 G 8.10 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 57 N 7.57 4.39 0.00 2.90 2.86 0.00 0.00 6.78 8.65 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 58 P 0.00 4.29 0.00 2.28 2.27 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 59 K 8.54 3.83 0.00 1.41 1.04 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.48 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.55 7.81 60 V 7.97 3.79 2.33 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 1.09 0.00 0.00 1.04 0.00 0.00 61 K 8.34 3.95 0.00 2.00 1.84 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.54 7.81 62 A 8.35 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.24 0.00 3.70 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.61 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 65 K 8.17 4.04 0.00 1.87 2.02 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 K 7.79 4.10 0.00 2.00 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 67 V 8.06 3.74 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 1.32 0.00 0.00 1.11 0.00 0.00 68 L 8.32 4.49 0.00 1.93 1.77 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.31 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 70 A 8.05 4.15 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 71 F 8.43 4.02 0.00 3.52 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.59 4.25 0.00 4.17 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 0.00 73 D 8.17 4.62 0.00 2.90 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 74 G 8.28 3.63 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 0.00 75 L 7.76 3.87 0.00 1.65 1.54 -0.52 0.56 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 76 A 7.40 4.23 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.26 4.90 0.00 3.07 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 4.25 0.00 1.58 1.72 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.11 4.48 0.00 2.75 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 80 N 8.50 4.97 0.00 2.62 2.61 0.00 0.00 7.19 6.64 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 81 L 7.85 4.10 0.00 1.84 2.07 0.97 1.13 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 82 K 8.14 4.01 0.00 1.65 1.78 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.35 1.26 7.81 83 G 7.81 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 0.00 0.00 0.00 84 T 7.36 3.61 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 0.51 0.00 0.00 85 F 8.10 4.65 0.00 3.10 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 86 A 7.44 3.98 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 87 T 7.77 3.82 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 1.21 0.00 0.00 88 L 7.89 4.14 0.00 1.94 1.75 1.06 0.90 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 89 S 8.26 4.06 0.00 3.97 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 90 E 8.08 3.96 0.00 2.04 2.02 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 2.39 2.44 0.00 91 L 7.81 3.91 0.00 1.83 1.82 0.90 1.03 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 92 H 8.37 4.20 0.00 3.39 3.65 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.23 4.17 0.00 2.64 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 0.00 0.00 0.00 94 D 8.02 4.29 0.00 2.86 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 95 K 7.98 4.17 0.00 1.89 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 96 L 8.10 4.27 0.00 1.82 1.77 0.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.73 4.39 0.00 3.40 3.48 0.00 5.67 0.00 0.00 0.00 0.00 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.00 3.60 1.63 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 0.03 0.00 0.00 0.59 0.00 0.00 99 D 8.57 4.34 0.00 2.76 2.47 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 0.00 100 P 0.00 4.06 0.00 2.17 2.30 0.00 3.37 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 101 E 8.07 3.94 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 102 N 8.22 4.38 0.00 2.61 2.74 0.00 0.00 6.90 7.70 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 0.00 103 F 7.40 4.43 0.00 3.07 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 0.00 104 R 8.05 4.01 0.00 2.07 2.01 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 105 L 7.99 3.84 0.00 1.68 1.20 0.88 -0.16 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 0.00 106 L 8.31 4.13 0.00 1.86 1.96 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.15 3.87 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 0.00 0.00 0.00 108 N 8.34 4.37 0.00 2.95 2.98 0.00 0.00 6.75 7.25 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 0.00 109 V 7.96 3.62 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 1.12 0.00 0.00 1.16 0.00 0.00 110 L 8.16 3.79 0.00 1.59 1.63 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.78 3.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.13 0.00 0.00 112 C 8.06 4.06 0.00 3.17 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.89 3.40 2.02 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 0.84 0.00 0.00 0.82 0.00 0.00 114 L 7.65 3.65 0.00 1.01 1.19 0.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.17 3.61 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 0.00 116 H 7.76 4.01 0.00 3.17 3.42 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.64 4.23 0.00 2.74 2.38 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.17 4.87 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.34 3.79 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 0.00 0.00 0.00 120 K 9.14 3.96 0.00 1.77 1.91 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 121 E 8.76 4.20 0.00 2.05 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 2.41 2.49 0.00 122 F 8.16 4.59 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.44 4.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 124 P 0.00 4.14 0.00 2.14 2.14 0.00 3.56 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 2.11 2.15 0.00 125 P 0.00 4.21 0.00 2.29 2.27 0.00 3.29 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 126 V 7.35 3.54 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 1.05 0.00 0.00 0.91 0.00 0.00 127 Q 8.33 3.59 0.00 1.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 128 A 8.08 3.98 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 0.00 129 A 7.88 3.87 1.25 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 0.00 0.00 130 Y 8.16 3.97 0.00 3.39 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 0.00 131 Q 8.72 4.08 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 132 K 8.00 4.03 0.00 2.02 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.60 3.57 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 1.13 0.00 0.00 0.81 0.00 0.00 134 V 8.33 3.87 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 0.94 0.00 0.00 1.19 0.00 0.00 135 A 8.31 4.13 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 0.00 136 G 7.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.14 3.16 1.79 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 0.08 0.00 0.00 0.93 0.00 0.00 138 A 8.14 3.78 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 0.00 0.00 139 N 8.02 4.36 0.00 2.85 2.87 0.00 0.00 7.24 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 0.00 140 A 7.89 4.11 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 0.00 141 L 7.48 3.54 0.00 0.73 0.13 0.17 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.47 4.65 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.75 3.92 0.00 3.23 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.52 3.93 0.00 1.48 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 145 Y 7.66 4.55 0.00 3.13 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 0.00 146 H 7.82 4.59 0.00 3.23 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00