NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6312 8.3049 120.6017 55.3326 33.3780 174.5690 2 E 3.9590 8.8338 127.6393 55.8530 30.2549 175.2080 3 H 4.6102 8.9979 123.0512 54.4118 29.4723 174.2907 4 V 4.2915 8.0296 122.0285 60.6655 34.4390 174.8660 5 A 4.5696 8.3831 129.6887 50.6812 19.9127 176.1481 6 F 3.2890 8.5719 123.6811 59.4243 39.7563 175.6480 7 G 3.6001 7.6642 114.9426 45.3399 0.0000 173.6484 8 S 4.1749 7.3358 115.9122 58.4146 63.4336 175.5310 9 E 3.9448 8.7844 123.8988 59.4293 29.6223 177.6433 10 D 4.8411 7.8315 117.0045 54.2601 41.5075 178.0018 11 I 3.5437 7.4627 123.2140 64.4817 37.6892 177.2739 12 E 4.1429 8.1402 117.4847 59.1063 29.3232 178.8191 13 N 4.4944 7.9989 117.2327 56.6002 38.4894 177.1941 14 T 4.0303 7.7847 116.6810 66.2915 68.5535 176.0492 15 L 3.9556 7.9260 119.0159 55.7331 41.6377 178.7686 16 A 4.2131 7.5492 120.0076 54.8357 18.4143 179.2490 17 K 4.1296 7.5088 115.5450 58.2868 33.3767 177.4538 18 M 4.4017 7.1697 120.5511 55.0911 33.0706 176.3091 19 D 4.8948 8.2454 122.0424 53.1849 44.9836 176.2360 20 D 4.5725 8.3725 117.8582 56.6552 39.0252 178.6529 21 G 3.7004 7.9818 106.1398 47.6614 0.0000 175.3681 22 Q 4.1485 8.0193 119.7839 58.5674 28.9370 178.4070 23 L 4.0218 7.8958 119.8530 57.5880 41.4240 178.9051 24 D 4.6159 7.7062 116.4545 56.1461 40.9921 177.7346 25 G 3.8778 7.5659 105.1567 43.8293 0.0000 173.6850 26 L 4.1184 6.7757 120.1512 54.0304 42.2040 177.0043 27 A 4.2437 7.7685 122.2132 52.9373 19.0276 176.9735 28 F 5.1351 6.6844 109.6188 54.3557 41.7486 174.9211 29 G 4.2336 9.6967 107.1005 45.8453 0.0000 172.6357 30 A 5.6437 9.3814 124.3107 50.1530 22.8989 175.0655 31 I 5.0374 8.8454 122.4450 59.4573 41.2634 174.1130 32 Q 4.6375 8.9379 128.1033 54.1934 31.0513 174.2816 33 L 5.3405 9.0188 125.9932 52.9098 46.0277 176.1667 34 D 5.1930 8.0597 120.7345 51.4886 41.0553 177.2747 35 G 3.9957 8.1206 105.7273 47.2530 0.0000 173.9885 36 D 4.8419 8.9055 119.1418 53.8793 41.6641 177.2097 37 G 3.9632 8.6724 108.3285 45.7178 0.0000 173.2815 38 N 4.9323 8.1568 116.7400 52.6324 39.5801 174.2017 39 I 4.3261 8.6108 123.5558 61.3398 37.5696 176.4040 40 L 4.5119 8.8093 127.7440 55.9342 43.2086 177.1741 41 Q 4.7260 7.7596 115.4090 54.6669 33.7359 174.2761 42 Y 4.9088 8.5164 123.0275 57.1263 41.1363 173.8722 43 N 5.0221 8.7884 125.4346 51.6070 39.9316 176.1977 44 A 4.0186 9.4805 120.6430 55.4913 18.3439 179.8618 45 A 4.0414 7.9485 118.4512 54.9983 18.3946 179.4812 46 Q 4.0504 8.2996 118.3281 59.2475 29.0889 178.3394 47 G 3.9819 8.0895 107.7036 46.8444 0.0000 175.5778 48 D 4.4030 7.8249 120.6485 57.5688 40.9942 178.4883 49 I 3.9395 7.7995 118.9823 64.2860 37.2961 177.9425 50 T 4.5044 8.5324 108.3681 61.5215 69.4955 175.9208 51 G 4.0041 8.4017 109.9290 45.3226 0.0000 173.9049 52 R 4.1250 7.6761 119.1043 55.4258 31.0510 175.4597 53 D 4.7834 8.4333 121.0339 53.0050 41.3250 174.8015 54 P 4.1923 0.0000 0.0000 66.0896 30.9755 178.6686 55 K 4.0023 7.8832 115.4930 59.3856 31.7165 179.0156 56 Q 3.8589 8.1723 117.0143 57.4104 29.0724 177.0709 57 V 3.9991 7.2083 112.5926 61.3563 32.6533 176.1232 58 I 3.9641 6.8640 121.6200 62.7213 37.1615 176.3611 59 G 3.9731 9.1989 114.6364 45.1531 0.0000 173.9360 60 K 4.2164 7.9206 119.3128 55.5211 33.2785 175.3083 61 N 4.9317 8.7557 119.7035 52.4715 39.7282 175.6520 62 F 3.9495 9.1091 129.1305 61.3453 39.6133 177.2938 63 F 3.8851 7.5200 117.4042 59.7742 39.0389 176.6649 64 K 4.0232 8.3576 120.9026 58.6423 32.4751 176.8790 65 D 4.5860 7.8235 115.9800 56.0279 42.0266 178.1541 66 V 3.6803 7.5403 116.3318 64.9316 32.3895 176.0880 67 A 4.2750 7.6113 121.7233 49.2479 18.5442 174.5661 68 P 4.0880 0.0000 0.0000 64.8066 31.8779 179.3812 69 C 4.1394 7.6643 112.7559 60.3765 29.7987 174.1003 70 T 4.2581 7.6811 110.3482 61.7251 68.7912 174.2710 71 D 5.1188 7.7900 123.7962 52.8220 39.7256 174.7094 72 S 4.7256 7.9099 116.2326 55.8683 65.4204 173.3623 73 P 4.3061 0.0000 0.0000 65.6822 31.2316 178.7738 74 E 3.9624 8.2740 116.3503 58.2880 29.4014 175.8472 75 F 4.5867 7.5093 118.3763 58.7112 42.2323 175.5418 76 Y 4.1209 8.9471 120.6515 60.9485 38.8107 179.2451 77 G 3.5429 8.0734 107.7677 47.1366 0.0000 175.8995 78 K 4.0180 7.9754 120.3575 58.9336 32.1309 179.1015 79 F 4.0884 8.3129 121.0413 61.2323 39.4352 177.2548 80 K 3.7869 8.3208 118.7947 60.0330 32.0017 178.5516 81 E 3.9720 7.9812 120.1233 58.7046 29.4583 179.0086 82 G 3.8925 7.8003 105.7031 46.7306 0.0000 175.9370 83 V 3.6188 7.5933 121.2277 65.0914 31.5364 177.7435 84 A 4.0822 7.5556 119.3753 55.0805 18.6927 179.3641 85 S 4.2824 8.5643 113.5040 59.0940 62.8184 176.3143 86 G 4.0819 8.2843 109.1011 45.4261 0.0000 173.0753 87 N 5.0939 7.6690 115.3958 50.9799 40.6697 173.2667 88 L 4.6802 8.2850 121.3324 54.3802 45.8061 173.8497 89 N 5.1101 8.7232 124.9266 53.3198 40.2638 172.6036 90 T 4.8916 9.2997 119.2874 60.3192 71.6586 171.7614 91 M 5.4559 8.5861 126.0759 54.0279 35.5250 173.9394 92 F 4.9787 8.7383 118.8744 56.2692 41.7286 172.7952 93 E 5.0016 8.9547 119.2589 56.1615 31.0721 174.7558 94 Y 4.9374 8.7556 121.8479 57.2245 43.2666 173.1463 95 T 5.0632 7.8055 118.9785 61.7571 71.3084 173.6684 96 F 5.1764 9.2715 126.5283 56.3908 40.2686 176.5149 97 D 4.7160 8.6917 121.1694 53.4897 40.4392 174.2326 98 Y 4.4249 8.1977 121.9979 57.9022 38.5653 175.0027 99 Q 3.5087 8.5983 126.0872 56.3291 26.3053 173.0644 100 M 4.7588 7.2615 113.2327 53.9349 34.3500 174.3964 101 T 3.9292 8.3195 116.4619 62.9220 68.9830 172.7144 102 P 4.6261 0.0000 0.0000 63.6754 32.0668 175.7793 103 T 4.6284 9.2264 121.2722 61.5391 71.7991 173.0499 104 K 4.6938 8.6311 127.8346 55.9913 33.9987 175.7583 105 V 4.5073 8.7709 119.2467 59.7475 37.1148 173.6781 106 K 4.7776 8.7483 123.8466 55.0302 33.7419 175.0332 107 V 4.8793 8.6977 127.9442 61.3350 34.1999 173.7590 108 H 5.2777 9.5342 127.1753 54.8439 32.6874 171.6413 109 M 5.0962 9.1520 126.4624 53.5770 34.4880 175.2196 110 K 5.1434 8.9204 123.7270 54.6003 36.3226 175.1229 111 K 4.4596 8.6952 128.1669 56.6571 32.7715 176.2614 112 A 4.6068 8.2005 128.1612 51.1269 19.4151 177.4802 113 L 3.9994 8.9328 121.6960 58.3573 42.2253 178.2448 114 S 4.3913 8.3463 112.2921 58.9939 64.7271 177.4736 115 G 3.7703 7.3239 103.4166 44.1541 0.0000 176.4512 116 D 4.7602 8.9965 125.5660 52.9049 39.3474 173.8127 117 S 4.8116 6.9858 114.6796 56.7558 67.5161 174.3207 118 Y 4.8729 8.8010 118.5391 56.1935 42.3519 174.2135 119 W 4.9875 9.2336 123.0524 55.1078 32.0538 175.5963 120 V 4.4848 8.7489 123.3322 61.3206 33.7639 173.9769 121 F 5.8090 9.1407 127.7566 56.0560 41.3768 175.4187 122 V 5.2920 9.1272 122.3184 61.2407 35.0104 174.2289 123 K 4.9369 8.6040 125.1633 55.1047 36.3141 175.7424 124 R 4.3255 8.4725 120.2461 56.2596 31.0511 177.2730 125 V 3.9257 7.7219 113.4949 61.6294 32.3313 175.6639 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 8.30 4.63 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 2 E 8.83 3.96 0.00 1.74 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 2.33 2.46 0.00 3 H 9.00 4.61 0.00 3.00 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.03 4.29 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 0.83 0.00 0.00 0.86 0.00 0.00 5 A 8.38 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.57 3.29 0.00 2.61 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 7 G 7.66 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 8 S 7.34 4.17 0.00 3.82 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 9 E 8.78 3.94 0.00 1.91 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 2.30 2.38 0.00 10 D 7.83 4.84 0.00 2.68 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 11 I 7.46 3.54 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.02 0.84 0.00 0.00 12 E 8.14 4.14 0.00 2.45 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 2.44 2.44 0.00 13 N 8.00 4.49 0.00 2.92 2.92 0.00 0.00 7.03 7.26 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 14 T 7.78 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 15 L 7.93 3.96 0.00 1.47 1.48 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.55 4.21 1.45 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 17 K 7.51 4.13 0.00 1.83 1.97 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.48 7.81 18 M 7.17 4.40 0.00 1.98 2.06 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 2.77 2.45 0.00 19 D 8.25 4.89 0.00 2.76 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 20 D 8.37 4.57 0.00 3.06 3.11 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 0.00 21 G 7.98 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 0.00 0.00 0.00 0.00 22 Q 8.02 4.15 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 23 L 7.90 4.02 0.00 1.94 1.75 1.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.71 4.62 0.00 2.91 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 25 G 7.57 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 26 L 6.78 4.12 0.00 1.28 0.55 0.55 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.77 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 6.68 5.14 0.00 3.30 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 29 G 9.70 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 0.00 0.00 0.00 0.00 30 A 9.38 5.64 1.48 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 0.00 0.00 31 I 8.85 5.04 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.44 0.75 0.00 0.00 32 Q 8.94 4.64 0.00 1.30 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 1.84 1.34 0.00 33 L 9.02 5.34 0.00 1.71 1.60 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.06 5.19 0.00 2.98 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 35 G 8.12 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 0.00 0.00 0.00 36 D 8.91 4.84 0.00 2.88 2.80 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 37 G 8.67 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 38 N 8.16 4.93 0.00 3.05 2.74 0.00 0.00 7.06 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 39 I 8.61 4.33 2.00 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 1.20 0.71 1.03 0.00 0.00 40 L 8.81 4.51 0.00 1.42 1.66 0.82 1.15 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 41 Q 7.76 4.73 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 42 Y 8.52 4.91 0.00 2.97 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 43 N 8.79 5.02 0.00 3.05 2.99 0.00 0.00 6.47 7.00 0.00 0.00 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 A 9.48 4.02 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 45 A 7.95 4.04 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 46 Q 8.30 4.05 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 47 G 8.09 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 48 D 7.82 4.40 0.00 2.95 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 49 I 7.80 3.94 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.61 1.06 0.00 0.00 50 T 8.53 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 1.51 0.00 0.00 51 G 8.40 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 0.00 0.00 0.00 52 R 7.68 4.13 0.00 1.86 1.70 0.00 3.23 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 53 D 8.43 4.78 0.00 2.74 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 54 P 0.00 4.19 0.00 2.28 2.59 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 55 K 7.88 4.00 0.00 2.02 1.85 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 56 Q 8.17 3.86 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 57 V 7.21 4.00 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 0.46 0.00 0.00 0.07 0.00 0.00 58 I 6.86 3.96 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.00 0.00 0.00 59 G 9.20 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 60 K 7.92 4.22 0.00 1.93 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.32 7.81 61 N 8.76 4.93 0.00 2.72 2.72 0.00 0.00 7.20 7.09 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 62 F 9.11 3.95 0.00 2.66 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 0.00 0.00 0.00 63 F 7.52 3.89 0.00 2.58 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.36 4.02 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 65 D 7.82 4.59 0.00 2.75 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 66 V 7.54 3.68 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 0.72 0.00 0.00 0.88 0.00 0.00 67 A 7.61 4.28 0.03 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 68 P 0.00 4.09 0.00 1.83 1.93 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.72 0.00 69 C 7.66 4.14 0.00 3.23 3.12 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 70 T 7.68 4.26 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 0.37 0.00 0.00 71 D 7.79 5.12 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.91 4.73 0.00 4.03 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 73 P 0.00 4.31 0.00 2.22 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 8.27 3.96 0.00 2.21 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 0.00 2.43 2.39 0.00 75 F 7.51 4.59 0.00 2.66 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 76 Y 8.95 4.12 0.00 3.02 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 77 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 78 K 7.98 4.02 0.00 2.00 1.88 0.00 1.14 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.35 7.81 79 F 8.31 4.09 0.00 3.44 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 80 K 8.32 3.79 0.00 1.77 1.70 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.37 7.81 81 E 7.98 3.97 0.00 2.11 1.91 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 2.24 2.41 0.00 82 G 7.80 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.59 3.62 1.57 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 1.08 0.00 0.00 -0.73 0.00 0.00 84 A 7.56 4.08 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 85 S 8.56 4.28 0.00 4.02 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 0.00 86 G 8.28 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 0.00 0.00 0.00 87 N 7.67 5.09 0.00 3.00 2.88 0.00 0.00 6.36 6.55 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 88 L 8.29 4.68 0.00 1.80 1.64 0.96 0.54 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 89 N 8.72 5.11 0.00 2.78 2.72 0.00 0.00 6.86 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 90 T 9.30 4.89 4.33 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 1.42 0.00 0.00 91 M 8.59 5.46 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 92 F 8.74 4.98 0.00 3.13 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 93 E 8.95 5.00 0.00 1.98 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 2.38 2.33 0.00 94 Y 8.76 4.94 0.00 3.37 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 95 T 7.81 5.06 4.16 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 1.25 0.00 0.00 96 F 9.27 5.18 0.00 2.97 2.98 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 97 D 8.69 4.72 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.20 4.42 0.00 2.92 2.83 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 99 Q 8.60 3.51 0.00 1.58 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 100 M 7.26 4.76 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 101 T 8.32 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 P 0.00 4.63 0.00 1.96 2.05 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 103 T 9.23 4.63 4.33 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 1.22 0.00 0.00 104 K 8.63 4.69 0.00 1.82 1.63 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.58 7.81 105 V 8.77 4.51 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 0.40 0.00 0.00 0.30 0.00 0.00 106 K 8.75 4.78 0.00 1.64 1.32 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.36 7.81 107 V 8.70 4.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.93 0.00 0.00 108 H 9.53 5.28 0.00 2.82 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.15 5.10 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 110 K 8.92 5.14 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 111 K 8.70 4.46 0.00 1.97 1.74 0.00 2.01 0.00 0.00 1.69 0.00 0.00 2.66 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.04 7.81 112 A 8.20 4.61 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.93 4.00 0.00 1.70 1.77 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.35 4.39 0.00 3.83 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 0.00 115 G 7.32 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 0.00 116 D 9.00 4.76 0.00 2.79 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 0.00 117 S 6.99 4.81 0.00 3.57 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 0.00 118 Y 8.80 4.87 0.00 3.15 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 0.00 119 W 9.23 4.99 0.00 3.00 1.74 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 0.00 120 V 8.75 4.48 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 1.11 0.00 0.00 0.88 0.00 0.00 121 F 9.14 5.81 0.00 2.68 2.66 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 0.00 122 V 9.13 5.29 2.45 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 1.07 0.00 0.00 1.26 0.00 0.00 123 K 8.60 4.94 0.00 1.63 1.54 0.00 1.01 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.87 7.81 124 R 8.47 4.33 0.00 1.67 1.85 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 125 V 7.72 3.93 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 0.56 0.00 0.00 0.85 0.00 0.00