NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1544 8.1627 120.2902 54.6152 33.1129 173.8283 2 K 3.7823 8.5575 128.1025 56.5322 32.5839 174.9764 3 G 3.9513 8.6101 115.8969 44.7829 0.0000 171.6494 4 D 4.5017 8.4124 119.8115 53.9058 41.9262 176.5690 5 K 3.8526 9.1077 127.0204 60.0852 32.2024 178.8783 6 I 3.7884 7.8365 119.2832 64.0527 36.9326 178.5115 7 V 3.7500 8.3321 119.3130 66.2119 31.4413 178.1715 8 I 3.7737 7.9016 119.5124 64.4600 36.8657 178.5060 9 Q 3.9611 7.9589 118.9442 59.1380 28.5229 178.4389 10 H 4.0969 8.1966 117.2290 58.9154 28.7095 177.8453 11 L 4.0466 8.3654 121.1582 57.9550 41.4398 179.4243 12 N 4.3266 8.3619 116.4947 55.8835 38.5510 177.3439 13 K 3.8888 7.9861 121.1394 59.6248 32.3024 178.8637 14 I 3.7032 7.8265 119.9582 64.2985 36.9719 178.0055 15 L 4.0289 8.2145 121.4435 58.1782 41.8243 179.1813 16 G 3.6420 8.1528 105.4543 47.9819 0.0000 175.2864 17 N 4.3297 7.9345 118.5835 56.0341 38.5243 177.3101 18 E 3.9325 8.3031 119.8927 59.5332 29.4879 179.4574 19 L 3.9970 8.0955 118.9876 57.7348 41.5010 179.7914 20 I 3.6185 7.5858 119.2150 64.2021 37.0409 178.2616 21 A 3.2377 7.7613 121.5901 54.8381 18.1210 179.3708 22 I 3.5389 7.8462 118.6568 64.8949 37.2291 178.3687 23 N 4.3414 7.8333 116.5300 56.2627 38.3279 177.3085 24 Q 3.8747 8.1152 121.1434 59.6063 29.1221 178.1202 25 Y 4.4446 8.1669 118.1294 60.9773 37.8570 178.2185 26 F 3.8809 8.5160 121.8554 60.9578 39.5324 177.0082 27 L 3.9689 8.2256 120.0239 58.6531 41.9900 178.6417 28 H 3.9710 8.4506 116.0911 58.6211 28.5680 177.6494 29 A 4.1613 8.2611 122.9674 55.4588 18.1969 179.9878 30 R 3.8627 7.7951 116.1953 59.1173 30.0643 179.2402 31 M 3.5217 7.7049 118.9847 58.0581 31.7151 178.2138 32 Y 4.4132 7.5049 116.8339 61.2770 38.1130 178.3342 33 E 3.9435 8.1565 120.1190 59.3801 29.4908 178.2583 34 D 4.3306 8.0689 117.3776 56.7528 41.2995 177.4061 35 W 4.9408 7.8648 116.8544 56.4969 29.4931 177.0681 36 G 3.9679 8.3797 108.1478 45.8891 0.0000 174.2746 37 L 4.8352 7.9825 121.8053 52.8093 40.2767 176.8945 38 E 3.9789 8.4098 122.2511 59.5203 30.0223 179.3426 39 K 4.0048 8.1767 118.3512 59.3046 32.0872 179.5163 40 L 4.0852 7.7840 119.0470 57.5523 41.5165 179.4592 41 G 3.7723 8.1964 105.7738 47.6270 0.0000 175.6181 42 K 3.9161 8.2847 122.3476 59.5197 32.2660 178.4164 43 H 3.9061 8.0298 118.0446 59.2103 29.8912 176.7877 44 E 3.8621 8.7091 121.5347 59.2647 29.4076 178.2220 45 Y 3.9095 8.3849 120.0110 60.9784 38.9567 177.3928 46 H 4.0274 8.4120 119.1712 59.3652 29.8224 177.0609 47 E 3.7844 7.9923 120.4249 59.0672 29.1926 179.2561 48 S 4.1792 7.7610 112.8668 61.6005 62.5530 176.3625 49 I 3.6331 7.4218 122.4202 64.1509 36.6948 178.2308 50 D 4.1778 7.8421 119.8398 57.4976 40.6491 178.7355 51 E 3.9613 8.3063 119.0293 59.5347 29.3608 179.3712 52 M 4.0288 7.9688 118.9422 58.2941 31.9617 178.9250 53 K 4.0562 8.0205 118.6714 59.3710 32.1661 179.2664 54 H 4.2248 8.1557 116.5102 58.8159 28.6618 177.5109 55 A 3.9775 8.1325 122.6093 55.3048 18.2033 178.9945 56 D 4.2989 8.0784 116.4253 57.6429 41.2457 178.8022 57 K 4.0200 8.1179 118.8510 59.3527 31.9437 179.4364 58 L 4.0199 8.0082 119.3485 57.7155 41.5623 179.4431 59 I 3.6991 8.1538 120.1590 64.4835 37.1010 178.5682 60 K 3.9873 8.1606 119.1463 59.4913 31.8345 179.4217 61 R 4.0224 8.1133 118.9090 59.5074 30.0478 178.5868 62 I 3.7220 8.1588 120.0079 64.4528 37.1176 178.4479 63 L 4.0642 8.1298 119.8179 57.6765 41.2068 179.3518 64 F 4.3920 8.1057 119.7405 61.2555 39.7101 176.6211 65 L 4.3048 7.9594 117.0484 53.9616 41.0046 177.0579 66 E 3.8854 7.8509 117.5114 57.4461 27.2746 174.6111 67 G 3.9321 8.2771 107.4984 44.0315 0.0000 173.8732 68 L 4.5144 7.9953 119.0454 52.0030 42.1339 175.3008 69 P 4.3923 0.0000 0.0000 62.6515 31.7611 176.3861 70 N 4.6934 8.6311 121.6748 52.2660 38.0693 174.2354 71 L 4.4410 8.0793 122.8853 54.5541 42.6446 177.9021 72 Q 4.0352 8.0550 120.3393 58.4563 29.3630 175.7948 73 E 4.1209 8.4541 118.9192 55.3388 30.1709 175.3288 74 L 4.5207 8.2770 127.1130 52.9253 44.1172 176.2374 75 G 3.8250 8.4306 115.7252 44.4060 0.0000 171.7407 76 K 4.0198 8.3383 120.7180 56.1634 32.3782 176.4369 77 L 4.2506 8.3741 126.6400 54.3947 42.4017 177.2344 78 L 4.4676 9.0581 124.1890 53.2948 40.6970 174.5512 79 I 4.2331 7.9606 122.8962 59.7860 38.0243 176.6049 80 G 4.0213 8.7916 114.6799 44.9907 0.0000 172.6431 81 E 4.7388 8.6663 117.2622 56.5121 31.3066 176.5586 82 H 5.0227 7.6594 113.5582 52.9334 32.9791 173.8618 83 T 4.2820 8.7148 118.1925 67.2521 68.3078 176.2047 84 K 3.8794 8.2906 120.4317 59.7912 32.1568 178.2234 85 E 4.1332 8.0880 118.8772 59.4929 29.5867 178.5140 86 M 4.0487 8.4073 119.1344 58.2926 31.9502 178.7445 87 L 4.1868 8.3029 119.3220 57.8025 41.8037 179.4142 88 E 4.0076 8.3182 118.6945 59.5167 29.3705 179.1460 89 C 4.2421 8.5537 117.2314 63.0265 28.2337 175.9549 90 D 4.6591 8.3884 120.5364 57.1767 40.2994 178.6262 91 L 3.9637 8.2175 121.0154 58.0900 42.1788 178.8484 92 K 3.9054 8.6463 119.9588 59.3796 31.8345 178.4770 93 L 3.9752 7.9746 119.6599 58.2371 42.5363 178.4638 94 E 4.2093 8.3775 118.4828 59.7581 29.0273 179.5406 95 Q 4.0908 8.5005 117.8035 58.5720 28.5080 178.3047 96 A 3.9371 7.9868 120.9331 53.9941 18.9000 178.9532 97 G 3.8355 7.8785 103.3017 46.0558 0.0000 175.9825 98 L 3.9882 7.4013 121.3831 57.7577 41.7305 177.5085 99 P 4.2352 0.0000 0.0000 65.9448 31.1345 178.4320 100 D 4.3678 7.9229 117.1117 57.2798 40.8925 178.5593 101 L 4.0121 7.8566 119.2993 57.7849 41.6105 179.7755 102 K 3.9973 8.3576 118.3896 59.4032 31.9786 179.3639 103 A 4.0286 8.1633 120.8981 54.8552 18.1687 179.6250 104 A 3.7184 7.9269 119.6260 55.1833 18.5060 179.9377 105 I 3.6418 7.9872 118.2118 64.4134 37.1941 178.4570 106 A 4.0056 8.1634 121.6814 55.3443 18.3095 179.0923 107 Y 3.8315 8.0139 117.9505 60.9937 38.8887 177.8342 108 C 3.9912 8.2959 117.8145 62.7683 28.3113 175.7743 109 E 3.9675 8.2628 120.9966 59.3668 29.0736 179.1025 110 S 4.1390 7.7985 112.7622 60.4804 62.9583 175.7938 111 V 4.1072 6.7826 112.9449 60.1834 31.8024 176.3293 112 G 2.9693 7.2317 106.1578 46.2697 0.0000 175.5113 113 D 4.4209 7.3753 121.4134 52.8967 38.3696 176.1999 114 Y 4.3540 7.2788 121.2599 60.5600 38.5298 177.5733 115 A 4.1249 8.0693 121.5044 55.1753 18.6233 179.7155 116 S 4.1494 8.3763 113.7564 61.5506 62.8088 176.7834 117 R 3.9278 7.9715 121.1983 59.5264 29.8747 178.3471 118 E 3.9919 8.3029 118.3417 59.3654 29.4189 179.1675 119 L 3.9566 7.8824 119.9451 58.2476 42.1203 179.0910 120 L 4.0441 8.0679 118.9070 57.6873 41.5039 179.2977 121 E 3.9859 8.5238 119.1142 59.5800 29.2039 179.1389 122 D 4.6737 7.9972 120.1419 56.9037 40.8200 178.9769 123 I 3.5726 7.6029 120.0183 64.0916 37.0653 178.1822 124 L 3.9654 8.2651 121.6161 58.3023 42.0716 178.8770 125 E 4.0130 8.2856 118.4659 59.5805 29.3315 179.5725 126 S 4.3582 7.8442 115.1693 61.4252 62.9360 176.5363 127 E 4.2230 8.4148 121.5602 59.4664 29.3455 179.1911 128 E 4.0923 8.5124 118.5403 59.1250 29.4044 179.1472 129 D 4.4555 7.7462 118.2086 57.4687 40.9302 178.1087 130 H 4.3514 8.3670 118.8431 59.4676 29.8077 177.3975 131 I 3.7565 8.1113 121.7066 64.1653 36.8524 177.9029 132 D 4.3227 8.0079 118.5317 57.1345 41.1514 177.9968 133 W 4.1414 8.4698 128.8227 60.4739 30.6925 177.7460 134 L 3.8546 8.4113 118.7768 58.0564 41.1875 179.2806 135 E 3.9199 8.4841 118.6841 59.8323 29.2905 179.7570 136 T 3.7629 7.9051 115.5847 66.6549 68.4035 176.7646 137 Q 3.5778 7.5652 119.8786 58.7616 28.4763 178.8554 138 L 3.7285 7.5711 119.9639 57.7966 41.6281 179.3659 139 D 4.2845 7.9307 118.8788 57.0828 40.6372 178.7900 140 L 3.9272 7.9828 120.0504 57.7085 41.5586 179.4368 141 I 3.5005 7.5274 119.9807 64.6119 36.7908 178.2804 142 D 4.3230 7.5294 118.4188 56.9563 40.6607 178.5387 143 K 4.1878 7.7968 118.6382 57.9966 32.3497 178.2345 144 I 4.3210 8.1509 110.5645 59.4207 39.1203 176.5825 145 G 4.0294 7.8867 107.9490 45.9927 0.0000 174.3943 146 L 3.9993 8.4727 122.5548 58.0388 42.1117 179.4113 147 E 3.9577 8.1162 118.0144 59.5264 29.4677 178.9580 148 N 4.3493 8.0970 116.0477 56.2644 38.4593 176.6533 149 Y 3.9608 7.8059 119.9407 60.8191 39.2672 177.9261 150 L 3.9994 8.2776 120.1218 57.6902 41.5481 179.2084 151 Q 3.9445 8.1557 119.5620 59.3497 28.8070 178.3701 152 S 4.2450 7.8889 113.9228 60.1196 63.1726 175.3164 153 Q 4.3461 7.5217 120.2194 55.8145 28.6110 177.2472 154 M 4.3571 7.6293 123.3553 57.5845 31.9072 176.1031 155 D 5.0486 7.8039 120.6716 53.5658 41.5105 176.0535 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 M 8.16 4.15 0.00 1.35 1.89 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 2 K 8.56 3.78 0.00 1.82 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 G 8.61 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 4 D 8.41 4.50 0.00 2.83 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 5 K 9.11 3.85 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 6 I 7.84 3.79 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 -0.10 0.00 0.00 7 V 8.33 3.75 2.32 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 1.18 0.00 0.00 1.21 0.00 0.00 8 I 7.90 3.77 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.90 0.00 0.00 9 Q 7.96 3.96 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 10 H 8.20 4.10 0.00 3.36 3.33 0.00 5.62 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 11 L 8.37 4.05 0.00 1.82 1.74 0.95 0.60 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 12 N 8.36 4.33 0.00 2.96 2.84 0.00 0.00 6.64 7.06 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 13 K 7.99 3.89 0.00 1.89 2.02 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.83 3.70 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 0.92 0.00 0.00 15 L 8.21 4.03 0.00 1.82 1.86 0.91 1.13 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 16 G 8.15 3.64 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 0.00 0.00 0.00 17 N 7.93 4.33 0.00 3.02 2.88 0.00 0.00 7.07 6.96 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 18 E 8.30 3.93 0.00 2.13 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 0.00 2.58 2.52 0.00 19 L 8.10 4.00 0.00 1.79 1.67 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.59 3.62 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.89 0.00 0.00 21 A 7.76 3.24 1.01 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 22 I 7.85 3.54 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.85 0.00 0.00 23 N 7.83 4.34 0.00 2.71 2.83 0.00 0.00 6.76 9.19 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 24 Q 8.12 3.87 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 25 Y 8.17 4.44 0.00 3.04 2.96 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 26 F 8.52 3.88 0.00 3.35 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 27 L 8.23 3.97 0.00 1.84 1.86 0.89 0.93 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 28 H 8.45 3.97 0.00 3.32 3.14 0.00 5.69 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 29 A 8.26 4.16 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 30 R 7.80 3.86 0.00 1.74 1.89 0.00 3.15 0.00 0.00 2.88 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.80 0.00 31 M 7.70 3.52 0.00 0.86 1.57 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 32 Y 7.50 4.41 0.00 3.27 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 33 E 8.16 3.94 0.00 2.03 1.89 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 2.28 2.30 0.00 34 D 8.07 4.33 0.00 2.64 2.53 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 35 W 7.86 4.94 0.00 3.73 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 36 G 8.38 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 37 L 7.98 4.84 0.00 2.01 1.64 1.23 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.41 3.98 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 39 K 8.18 4.00 0.00 1.82 1.92 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.53 7.81 40 L 7.78 4.09 0.00 1.43 0.55 0.61 0.97 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 41 G 8.20 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.28 3.92 0.00 1.88 1.95 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 43 H 8.03 3.91 0.00 3.14 3.07 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.71 3.86 0.00 2.43 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 0.00 2.63 2.61 0.00 45 Y 8.38 3.91 0.00 3.01 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 46 H 8.41 4.03 0.00 3.26 3.29 0.00 5.84 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 47 E 7.99 3.78 0.00 1.99 1.75 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 1.97 1.88 0.00 48 S 7.76 4.18 0.00 4.12 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 49 I 7.42 3.63 1.73 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.81 0.00 0.00 50 D 7.84 4.18 0.00 2.77 2.53 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 51 E 8.31 3.96 0.00 2.07 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 2.72 2.56 0.00 52 M 7.97 4.03 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 53 K 8.02 4.06 0.00 1.91 1.84 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.71 7.81 54 H 8.16 4.22 0.00 3.46 3.34 0.00 5.65 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 55 A 8.13 3.98 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 56 D 8.08 4.30 0.00 2.90 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 57 K 8.12 4.02 0.00 2.04 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.70 7.81 58 L 8.01 4.02 0.00 1.88 1.72 0.95 0.84 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 59 I 8.15 3.70 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 0.92 0.00 0.00 60 K 8.16 3.99 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 61 R 8.11 4.02 0.00 2.07 2.12 0.00 3.35 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 8.16 3.72 2.03 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 1.53 0.55 0.94 0.00 0.00 63 L 8.13 4.06 0.00 1.90 1.76 0.94 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 64 F 8.11 4.39 0.00 2.96 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 65 L 7.96 4.30 0.00 2.00 1.59 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.85 3.89 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 67 G 8.28 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 68 L 8.00 4.51 0.00 1.62 1.62 0.91 1.00 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 69 P 0.00 4.39 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 8.63 4.69 0.00 2.66 2.72 0.00 0.00 7.14 7.94 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 71 L 8.08 4.44 0.00 1.65 1.66 0.90 0.97 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 72 Q 8.06 4.04 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 73 E 8.45 4.12 0.00 1.94 1.81 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 2.29 2.22 0.00 74 L 8.28 4.52 0.00 1.55 1.48 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 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 0.00 0.00 0.00 76 K 8.34 4.02 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.37 4.25 0.00 1.66 1.54 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 L 9.06 4.47 0.00 1.75 1.67 0.96 0.84 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 79 I 7.96 4.23 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.95 0.00 0.00 80 G 8.79 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 81 E 8.67 4.74 0.00 2.19 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 2.33 2.26 0.00 82 H 7.66 5.02 0.00 3.25 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.71 4.28 4.41 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 1.49 0.00 0.00 84 K 8.29 3.88 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.49 7.81 85 E 8.09 4.13 0.00 1.77 1.84 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 2.36 2.38 0.00 86 M 8.41 4.05 0.00 1.81 2.34 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.34 0.00 87 L 8.30 4.19 0.00 1.86 1.71 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.32 4.01 0.00 2.21 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 2.33 2.64 0.00 89 C 8.55 4.24 0.00 3.25 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.66 0.00 2.95 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 91 L 8.22 3.96 0.00 1.89 1.87 0.94 0.56 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 92 K 8.65 3.91 0.00 1.91 2.04 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 93 L 7.97 3.98 0.00 1.86 2.02 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.38 4.21 0.00 2.22 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 2.64 2.46 0.00 95 Q 8.50 4.09 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 96 A 7.99 3.94 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 97 G 7.88 3.84 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 0.00 0.00 0.00 98 L 7.40 3.99 0.00 1.66 1.76 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.24 0.00 2.17 2.15 0.00 3.72 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 2.14 2.22 0.00 100 D 7.92 4.37 0.00 2.92 2.73 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 0.00 101 L 7.86 4.01 0.00 1.88 1.73 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.36 4.00 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 103 A 8.16 4.03 1.47 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 0.00 0.00 104 A 7.93 3.72 1.40 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 0.00 0.00 105 I 7.99 3.64 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.94 0.00 0.00 106 A 8.16 4.01 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 0.00 107 Y 8.01 3.83 0.00 3.17 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 0.00 108 C 8.30 3.99 0.00 3.15 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 E 8.26 3.97 0.00 2.21 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 2.35 2.41 0.00 110 S 7.80 4.14 0.00 3.94 3.86 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 0.00 111 V 6.78 4.11 1.88 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 0.18 0.00 0.00 0.72 0.00 0.00 112 G 7.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.42 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.28 4.35 0.00 3.09 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 0.00 115 A 8.07 4.12 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 0.00 116 S 8.38 4.15 0.00 4.13 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 0.00 117 R 7.97 3.93 0.00 1.97 2.21 0.00 3.19 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 118 E 8.30 3.99 0.00 2.23 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 2.66 2.51 0.00 119 L 7.88 3.96 0.00 1.77 1.86 0.99 0.50 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 0.00 120 L 8.07 4.04 0.00 1.91 1.71 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.52 3.99 0.00 2.26 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 2.35 2.49 0.00 122 D 8.00 4.67 0.00 2.87 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 0.00 123 I 7.60 3.57 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.81 0.00 0.00 124 L 8.27 3.97 0.00 1.80 1.84 0.95 0.93 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 0.00 125 E 8.29 4.01 0.00 2.24 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 2.35 2.62 0.00 126 S 7.84 4.36 0.00 4.12 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 0.00 127 E 8.41 4.22 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 128 E 8.51 4.09 0.00 2.06 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 2.37 2.62 0.00 129 D 7.75 4.46 0.00 3.01 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 0.00 130 H 8.37 4.35 0.00 3.26 3.65 0.00 5.61 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 0.00 131 I 8.11 3.76 2.07 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 1.45 0.77 0.94 0.00 0.00 132 D 8.01 4.32 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.47 4.14 0.00 3.50 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 0.00 134 L 8.41 3.85 0.00 1.95 1.73 0.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.92 0.00 2.09 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 2.32 2.62 0.00 136 T 7.91 3.76 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 1.09 0.00 0.00 137 Q 7.57 3.58 0.00 1.53 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.57 3.73 0.00 1.73 1.60 0.87 1.05 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 0.00 139 D 7.93 4.28 0.00 2.84 2.63 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 0.00 140 L 7.98 3.93 0.00 1.79 1.62 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.53 3.50 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.28 0.80 0.00 0.00 142 D 7.53 4.32 0.00 2.50 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 0.00 143 K 7.80 4.19 0.00 1.72 1.84 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.58 7.81 144 I 8.15 4.32 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.70 0.92 0.00 0.00 145 G 7.89 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 0.00 146 L 8.47 4.00 0.00 1.75 1.67 0.97 0.91 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 0.00 147 E 8.12 3.96 0.00 2.05 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 2.38 2.39 0.00 148 N 8.10 4.35 0.00 2.92 2.88 0.00 0.00 6.74 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.81 3.96 0.00 3.01 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 0.00 150 L 8.28 4.00 0.00 1.71 1.69 0.90 1.22 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 0.00 151 Q 8.16 3.94 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 152 S 7.89 4.24 0.00 3.79 3.77 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 0.00 0.00 0.00 153 Q 7.52 4.35 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 154 M 7.63 4.36 0.00 2.00 2.16 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 2.87 2.43 0.00 155 D 7.80 5.05 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00