NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4484 8.1514 120.3335 54.8961 33.5897 175.4883 18 G 3.5749 8.6156 108.6894 47.4916 0.0000 173.9115 19 L 3.9804 8.7715 124.2440 57.6555 42.4244 177.3861 20 E 3.9711 8.1355 117.7098 59.5603 29.5353 178.7157 21 D 4.4187 8.0979 119.2653 56.8096 41.1606 178.3994 22 K 3.9972 8.5352 119.4909 59.4001 32.0166 179.5445 23 V 3.6101 8.1468 119.1903 65.7772 31.0512 178.3210 24 S 4.0196 8.5156 114.5876 61.2154 62.8211 176.6693 25 K 4.0969 8.1760 122.2357 58.9164 31.5258 179.0280 26 Q 3.9759 7.6103 119.2426 59.2374 29.2864 178.0258 27 L 4.1240 7.7158 119.6939 58.1723 41.7308 179.3086 28 E 4.1663 8.6415 118.5525 59.6546 29.2628 179.4844 29 S 4.3550 8.6551 112.9844 59.9934 63.2207 175.3637 30 K 4.5269 8.2276 120.8186 54.9862 33.1562 175.9042 31 G 3.8254 7.9875 107.1752 46.5340 0.0000 174.1123 32 I 3.9680 7.9473 120.9101 60.4348 37.4085 177.1127 33 K 4.1356 8.5885 128.1221 55.3255 30.2907 175.4081 34 F 5.0436 7.7063 118.7536 54.4496 40.7716 175.0744 35 E 4.6907 8.9054 119.8866 54.6444 31.3881 175.0158 36 Y 4.7445 8.5441 124.0222 57.5045 40.8207 175.8872 37 E 3.5524 8.1470 128.3357 57.5348 26.9352 174.4992 38 E 4.0912 7.8402 120.8538 56.3620 31.5909 175.5801 39 W 4.8717 7.8620 116.5420 54.6131 31.6102 175.0371 40 K 4.4295 8.7956 121.7296 54.6824 32.4884 176.3120 41 V 3.9957 8.3450 124.9677 61.3166 31.6514 173.9142 42 P 4.6483 0.0000 0.0000 62.7256 32.0191 174.8972 43 Y 4.6720 7.6633 117.8694 56.6583 40.1837 173.3167 44 S 4.2181 8.4976 113.7941 56.2372 64.9670 173.0542 45 N 4.7545 8.3212 124.4015 52.5221 39.6868 173.5252 46 N 5.0522 8.5915 121.7324 51.0905 39.7954 173.3515 47 Q 4.7258 8.4138 118.2352 53.9790 32.5659 174.5402 48 Q 4.4903 8.3754 116.0138 54.4784 30.4665 175.2518 49 N 4.7177 8.5671 120.1789 52.8113 39.6058 174.3463 50 Y 4.3795 8.3273 116.9401 56.5160 40.5492 175.2131 51 S 4.6920 8.5522 121.8160 56.4531 64.3285 174.6157 52 S 4.3371 8.4608 120.4626 58.7141 63.4828 172.9066 53 H 5.0838 8.3840 118.9382 54.8562 32.9212 172.4314 54 T 4.7770 8.2205 109.0557 60.3187 71.4657 172.5721 55 Y 4.7295 8.5153 123.6975 56.1680 41.1422 174.7491 56 T 4.1191 8.1875 124.1209 61.1104 68.9808 173.0143 57 P 4.2530 0.0000 0.0000 62.2710 32.2341 176.9405 58 D 4.2739 8.6096 121.0525 57.0179 41.0371 177.0127 59 F 4.7956 8.8418 116.7165 55.4624 42.5672 174.3492 60 L 4.5804 8.1492 123.0684 52.9245 43.0467 176.1280 61 L 4.2975 8.3446 126.2749 53.6090 42.2630 177.0746 62 P 4.3228 0.0000 0.0000 65.3405 31.4230 177.3631 63 N 4.5815 7.9868 113.9303 52.4791 38.0128 175.6179 64 G 3.9776 8.1820 108.2595 46.0053 0.0000 174.9592 65 I 3.9119 7.9486 120.6005 62.1690 38.3399 175.2105 66 F 5.0934 9.6406 125.9239 55.9702 41.0070 174.9060 67 V 4.9860 9.0100 123.9650 61.0794 34.4797 173.8513 68 E 5.2130 9.2193 128.0531 54.5369 32.2142 175.0669 69 T 4.6679 8.8194 117.4465 61.8530 70.3291 174.1559 70 K 4.1196 8.8380 123.2409 57.2815 35.8858 173.8660 71 G 3.8507 9.1567 116.2659 46.2886 0.0000 174.8641 72 L 4.4808 8.8074 118.5634 55.2610 43.8153 176.3602 73 W 4.9941 8.0669 128.7786 55.9580 31.9774 174.1421 74 E 4.2580 7.9249 123.1248 54.9058 31.5639 176.5225 75 S 3.6766 8.4768 114.1808 61.9475 62.1645 176.3220 76 D 4.1636 7.7408 120.6931 57.4813 40.8208 178.1408 77 D 4.2207 7.7199 117.8769 56.9317 41.2411 178.3007 78 R 2.8645 7.3786 118.9399 58.6766 29.9540 178.8391 79 K 3.8088 7.8902 118.4995 59.5686 32.0367 178.9951 80 K 3.7869 7.7039 119.2651 59.8566 31.9587 178.1606 81 H 3.9027 7.9088 117.9615 59.3048 29.8567 177.2770 82 L 4.1024 8.0832 120.8107 57.6086 41.4120 179.0857 83 L 4.3876 8.2759 121.9797 57.9063 42.0903 178.9505 84 I 3.7121 7.9352 119.7137 64.4778 36.7863 178.4083 85 R 3.8644 7.7045 118.5003 59.4171 30.1795 178.1190 86 E 4.0981 8.1993 118.2768 59.8165 29.3530 179.5944 87 Q 4.1157 8.0271 116.4027 57.8253 30.4530 176.5963 88 H 5.5628 8.3783 115.9365 52.3800 28.9679 172.3816 89 P 4.3097 0.0000 0.0000 65.3288 32.0858 178.3305 90 E 4.1232 8.2055 115.3471 57.1213 29.7851 175.6632 91 L 4.6172 7.4430 120.2920 53.0965 43.4456 175.4863 92 D 4.6311 8.5261 123.6671 53.3799 42.0002 174.9938 93 I 5.1054 8.2577 126.9651 59.8297 39.8210 175.4719 94 R 4.7777 9.4348 126.5182 54.5126 33.5680 175.1973 95 I 4.9173 8.5850 120.1475 59.6339 40.9960 175.3712 96 V 4.7772 8.5129 126.4035 61.3104 33.0040 174.7374 97 F 4.9823 9.1943 127.2482 56.9453 40.0287 177.4255 98 S 4.2604 8.9939 117.9205 61.7868 63.5970 174.8523 99 S 4.5254 8.1049 113.8879 57.4186 62.8869 174.7805 100 S 3.7824 9.7761 124.7464 60.4547 62.8616 177.1144 101 R 3.8749 7.4075 119.5845 58.7545 30.0981 177.2287 102 T 3.6510 7.7805 116.6991 62.9542 68.5705 174.3116 103 K 4.2596 8.0957 125.9015 56.1246 32.8292 176.8036 104 L 4.5283 7.9878 122.2078 58.2864 42.0058 177.5934 105 Y 4.7453 7.0411 112.5251 55.4229 40.0950 173.5095 106 K 3.9281 8.8090 120.8671 58.6269 32.5174 175.5388 107 G 4.1040 8.9658 111.5288 45.8308 0.0000 174.2021 108 S 3.8315 6.9491 113.4656 57.6538 62.5033 172.2933 109 P 4.4127 0.0000 0.0000 63.8629 32.0053 176.0659 110 T 4.6803 7.6600 117.0054 62.3966 70.2971 173.5308 111 S 4.9901 8.1891 117.5304 55.9534 67.3858 174.7458 112 Y 4.5593 8.2888 119.7985 61.2886 37.3940 179.4259 113 G 2.2935 7.5128 106.2793 47.4416 0.0000 175.4633 114 E 4.7494 7.7309 122.8223 58.2194 29.5291 179.0331 115 F 4.1589 8.5034 120.8772 61.9060 39.5635 176.9143 116 C 4.0893 8.3809 116.0740 62.8391 27.7965 176.0489 117 E 4.1001 8.5582 120.4318 59.5116 28.9126 179.4094 118 K 3.9781 8.3008 118.5422 59.3233 32.3164 177.5363 119 H 4.5532 7.8631 113.7488 55.1450 28.9362 176.3961 120 G 3.9619 7.8722 109.7023 45.2710 0.0000 174.1018 121 I 3.9283 7.3951 120.9807 61.2931 37.7828 175.9772 122 K 4.5164 8.8298 127.7608 55.9478 32.9329 176.1158 123 F 5.9380 9.0544 119.2623 55.4494 41.6058 173.3876 124 A 4.4574 9.3826 119.7610 51.2353 23.0980 174.4679 125 D 5.3467 8.3483 118.1271 54.0414 42.9318 177.3112 126 K 3.9919 9.4446 126.5181 57.7435 31.7097 175.5914 127 L 4.6010 7.1037 113.5092 52.5366 45.6458 176.3273 128 I 3.4010 7.9810 120.8959 60.3331 36.4879 174.8041 129 P 3.8082 0.0000 0.0000 62.4566 32.8327 177.1998 130 A 3.9696 8.4178 122.8090 54.8645 18.3570 180.0969 131 E 3.9082 7.9850 117.0303 59.4934 29.4551 178.9007 132 W 5.2470 8.1220 118.1892 59.7085 29.2637 178.0331 133 I 3.8609 7.4920 118.4505 64.5337 36.5950 178.0686 134 K 4.1862 7.7486 117.8245 57.3953 32.7300 177.3332 135 E 3.8813 7.8397 118.2849 55.5507 30.0522 174.9270 136 P 4.4442 0.0000 0.0000 62.5569 31.6637 175.9914 137 K 4.2111 8.6392 124.6838 57.0686 32.7139 175.5684 138 K 4.7568 8.7939 123.3592 54.9489 35.6542 175.9624 139 E 4.1909 8.9545 121.8004 56.7630 30.3326 176.4165 140 V 4.1915 8.0779 121.5328 60.4676 34.5590 174.8755 141 P 4.5864 0.0000 0.0000 61.1911 30.1645 176.8398 142 F 4.2830 7.7301 120.5066 61.2078 39.7029 177.8828 143 D 4.4237 8.2869 119.6529 57.5715 40.7387 177.9785 144 R 4.0513 7.7959 116.8575 58.6116 30.3402 177.2025 145 L 4.6452 7.3851 116.1772 53.0854 43.2769 175.8515 146 K 4.6138 8.3395 121.0481 54.6784 33.9333 176.6880 147 R 4.4056 8.2724 119.3653 54.7868 30.9129 176.5458 148 K 4.1439 8.4425 117.1615 57.3286 32.6114 176.8001 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 17 M 8.15 4.45 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 18 G 8.62 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 0.00 0.00 0.00 19 L 8.77 3.98 0.00 1.77 1.70 0.91 0.93 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 20 E 8.14 3.97 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 21 D 8.10 4.42 0.00 2.74 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 22 K 8.54 4.00 0.00 1.93 1.83 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 23 V 8.15 3.61 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 0.93 0.00 0.00 0.95 0.00 0.00 24 S 8.52 4.02 0.00 4.08 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 25 K 8.18 4.10 0.00 1.84 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.45 1.57 7.81 26 Q 7.61 3.98 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 L 7.72 4.12 0.00 1.90 1.89 -0.61 0.87 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 28 E 8.64 4.17 0.00 2.24 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 2.41 2.79 0.00 29 S 8.66 4.36 0.00 3.99 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 0.00 30 K 8.23 4.53 0.00 1.85 1.88 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 31 G 7.99 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 0.00 0.00 0.00 32 I 7.95 3.97 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 1.06 0.00 0.00 33 K 8.59 4.14 0.00 1.72 1.77 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 34 F 7.71 5.04 0.00 3.18 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 35 E 8.91 4.69 0.00 2.17 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 2.30 2.39 0.00 36 Y 8.54 4.74 0.00 3.21 2.93 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 37 E 8.15 3.55 0.00 1.46 1.73 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 1.83 1.47 0.00 38 E 7.84 4.09 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.47 0.00 39 W 7.86 4.87 0.00 3.33 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 40 K 8.80 4.43 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 41 V 8.34 4.00 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 0.83 0.00 0.00 0.97 0.00 0.00 42 P 0.00 4.65 0.00 2.13 1.99 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 43 Y 7.66 4.67 0.00 3.05 2.90 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 44 S 8.50 4.22 0.00 3.87 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 45 N 8.32 4.75 0.00 2.71 2.68 0.00 0.00 7.05 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 46 N 8.59 5.05 0.00 2.83 2.77 0.00 0.00 5.92 7.39 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 47 Q 8.41 4.73 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 48 Q 8.38 4.49 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 49 N 8.57 4.72 0.00 2.70 2.79 0.00 0.00 6.93 7.46 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 50 Y 8.33 4.38 0.00 2.87 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 51 S 8.55 4.69 0.00 3.81 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 52 S 8.46 4.34 0.00 3.99 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 53 H 8.38 5.08 0.00 3.12 3.22 0.00 5.86 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 54 T 8.22 4.78 4.28 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 1.25 0.00 0.00 55 Y 8.52 4.73 0.00 2.82 2.88 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 56 T 8.19 4.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 57 P 0.00 4.25 0.00 2.28 2.15 0.00 3.58 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 58 D 8.61 4.27 0.00 3.01 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.84 4.80 0.00 3.03 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 60 L 8.15 4.58 0.00 1.02 1.35 -0.06 0.83 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 61 L 8.34 4.30 0.00 1.99 1.60 1.05 1.07 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 62 P 0.00 4.32 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 63 N 7.99 4.58 0.00 2.96 3.12 0.00 0.00 6.42 6.92 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 64 G 8.18 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 65 I 7.95 3.91 1.89 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 1.30 0.60 0.79 0.00 0.00 66 F 9.64 5.09 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 9.01 4.99 2.26 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 1.13 0.00 0.00 1.16 0.00 0.00 68 E 9.22 5.21 0.00 2.32 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 2.45 2.33 0.00 69 T 8.82 4.67 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 1.45 0.00 0.00 70 K 8.84 4.12 0.00 1.51 0.94 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.75 1.47 7.81 71 G 9.16 3.85 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 0.00 0.00 0.00 72 L 8.81 4.48 0.00 1.73 1.71 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.07 4.99 0.00 2.75 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.92 4.26 0.00 2.14 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 2.47 2.40 0.00 75 S 8.48 3.68 0.00 3.67 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.74 4.16 0.00 2.62 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 77 D 7.72 4.22 0.00 2.63 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 0.00 0.00 0.00 0.00 78 R 7.38 2.86 0.00 1.42 1.22 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 79 K 7.89 3.81 0.00 1.88 1.78 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.36 7.81 80 K 7.70 3.79 0.00 1.74 1.85 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.23 1.36 7.81 81 H 7.91 3.90 0.00 3.46 3.55 0.00 5.64 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 82 L 8.08 4.10 0.00 1.94 1.76 1.13 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.28 4.39 0.00 1.88 1.76 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.94 3.71 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.94 0.00 0.00 85 R 7.70 3.86 0.00 2.01 2.16 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 86 E 8.20 4.10 0.00 2.13 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 2.34 2.67 0.00 87 Q 8.03 4.12 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.24 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 88 H 8.38 5.56 0.00 3.31 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 2.16 2.17 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 90 E 8.21 4.12 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 91 L 7.44 4.62 0.00 1.63 1.27 0.43 0.62 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 92 D 8.53 4.63 0.00 2.73 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 93 I 8.26 5.11 1.91 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 1.25 0.66 1.10 0.00 0.00 94 R 9.43 4.78 0.00 1.28 1.59 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.00 95 I 8.59 4.92 1.52 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.83 -0.46 0.00 0.00 96 V 8.51 4.78 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 0.93 0.00 0.00 0.87 0.00 0.00 97 F 9.19 4.98 0.00 3.20 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 98 S 8.99 4.26 0.00 3.88 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 99 S 8.10 4.53 0.00 3.84 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 0.00 100 S 9.78 3.78 0.00 3.65 4.18 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 0.00 101 R 7.41 3.87 0.00 1.75 1.97 0.00 3.16 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 102 T 7.78 3.65 3.32 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 0.93 0.00 0.00 103 K 8.10 4.26 0.00 1.53 1.62 0.00 1.83 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.25 7.81 104 L 7.99 4.53 0.00 1.63 1.96 0.98 0.52 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 0.00 105 Y 7.04 4.75 0.00 3.17 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 0.00 106 K 8.81 3.93 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.44 7.81 107 G 8.97 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 0.00 108 S 6.95 3.83 0.00 2.72 3.14 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 0.00 109 P 0.00 4.41 0.00 2.19 2.10 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 110 T 7.66 4.68 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 1.31 0.00 0.00 111 S 8.19 4.99 0.00 4.13 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 0.00 112 Y 8.29 4.56 0.00 2.38 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.73 4.75 0.00 2.02 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 2.34 2.16 0.00 115 F 8.50 4.16 0.00 3.25 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 0.00 116 C 8.38 4.09 0.00 2.95 3.39 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 0.00 117 E 8.56 4.10 0.00 2.20 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 2.66 2.82 0.00 118 K 8.30 3.98 0.00 1.79 2.01 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.48 7.81 119 H 7.86 4.55 0.00 2.78 3.18 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.87 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 0.00 0.00 0.00 121 I 7.40 3.93 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 1.04 0.00 0.00 122 K 8.83 4.52 0.00 1.46 1.50 0.00 1.39 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.39 7.81 123 F 9.05 5.94 0.00 3.70 3.34 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 0.00 124 A 9.38 4.46 0.71 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 0.00 125 D 8.35 5.35 0.00 2.54 2.59 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 0.00 126 K 9.44 3.99 0.00 1.82 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 127 L 7.10 4.60 0.00 1.42 1.36 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.98 3.40 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.25 0.88 0.00 0.00 129 P 0.00 3.81 0.00 0.82 1.48 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.54 0.00 130 A 8.42 3.97 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 0.00 131 E 7.98 3.91 0.00 2.00 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 2.41 2.36 0.00 132 W 8.12 5.25 0.00 3.32 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 0.00 133 I 7.49 3.86 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.92 0.00 0.00 134 K 7.75 4.19 0.00 1.87 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.67 7.81 135 E 7.84 3.88 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 136 P 0.00 4.44 0.00 2.18 2.09 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 K 8.64 4.21 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 138 K 8.79 4.76 0.00 1.72 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.42 7.81 139 E 8.95 4.19 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 140 V 8.08 4.19 0.96 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 0.32 0.00 0.00 0.86 0.00 0.00 141 P 0.00 4.59 0.00 2.23 2.15 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 142 F 7.73 4.28 0.00 3.25 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 0.00 143 D 8.29 4.42 0.00 2.70 2.77 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 0.00 144 R 7.80 4.05 0.00 1.97 2.10 0.00 3.33 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 145 L 7.39 4.65 0.00 1.78 1.68 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.34 4.61 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 147 R 8.27 4.41 0.00 1.91 1.93 0.00 3.02 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 148 K 8.44 4.14 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81