NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3751 8.2649 123.5829 52.2643 19.9453 175.4761 6 L 4.5261 7.8651 117.7234 52.7617 45.5171 175.7108 7 I 3.9891 8.3115 122.3331 61.9586 35.9914 177.2691 8 G 4.0811 8.1176 121.0775 46.1256 0.0000 173.8617 9 I 3.7541 7.5804 121.7088 64.1500 37.4098 177.5557 10 E 4.0467 8.0587 118.6199 59.5599 29.3808 178.9632 11 D 4.4225 8.2090 118.5188 57.5459 40.8905 178.6555 12 F 4.2055 8.3211 120.8905 61.3181 39.1914 177.1529 13 L 3.9511 7.5542 116.8119 57.7803 41.4585 179.4463 14 K 4.2415 7.9864 117.5639 57.9938 32.9586 178.3993 15 V 4.1105 7.0304 119.2334 60.5554 30.7139 173.8900 16 D 4.4823 8.5439 121.7225 54.3162 40.4498 173.6649 17 L 4.8472 7.9662 122.8932 53.5403 43.6124 175.7321 18 R 5.7290 8.8251 122.0733 53.2752 34.6015 174.5750 19 V 4.6289 8.3226 121.9722 62.2231 33.4095 174.4670 20 A 5.0260 9.0143 127.8288 50.4725 23.2477 174.9899 21 K 4.7004 8.1485 119.4707 55.1702 34.5032 176.6384 22 V 4.1660 8.5043 124.9106 62.2990 31.3211 176.4251 23 L 4.1765 8.8236 130.1438 57.8440 42.2453 177.2909 24 S 4.6205 7.9494 111.1477 57.7495 67.0129 174.3029 25 A 5.0230 8.3594 120.7727 50.3292 21.0618 176.0780 26 E 4.5122 9.0917 122.7089 56.3744 31.3695 176.1063 27 R 4.8509 8.2240 116.1400 54.9578 32.6350 174.6958 28 V 4.1588 8.2678 120.2374 61.0765 33.6995 175.0789 29 E 4.1397 8.5224 122.1628 57.2528 28.7106 176.3370 30 G 4.1885 8.8268 118.8592 45.3067 0.0000 172.7290 31 S 3.9771 7.8723 114.1749 58.0064 62.3515 174.4050 32 E 4.1829 8.6846 124.5147 56.2489 29.8032 176.5485 33 K 4.3099 8.8328 114.5413 56.8763 29.4166 177.0048 34 L 4.4423 7.3869 116.7080 56.4317 40.6628 178.2008 35 L 4.3074 7.3840 120.7332 55.9161 39.0988 175.9153 36 K 4.3766 8.5699 120.9005 55.4785 32.0916 174.7477 37 L 4.6376 8.9108 124.9800 54.4780 43.1294 176.2813 38 T 4.6021 8.8476 116.0224 60.5631 69.1466 173.3128 39 L 4.5994 8.7564 129.6641 54.8822 43.2393 176.2976 40 S 4.9357 8.5898 119.2821 56.3916 63.4387 174.6676 41 L 4.2327 8.5671 131.8137 53.5519 40.4676 177.5028 42 G 3.9504 8.0793 110.0002 45.4059 0.0000 171.9785 43 D 4.6803 8.5979 122.2744 54.4786 43.4087 177.0582 44 E 4.4437 7.9435 118.5617 55.4910 30.6166 174.9729 45 E 5.1271 8.4580 119.9277 54.9070 32.9568 175.3009 46 R 5.0082 9.0260 122.7554 54.5968 35.1489 174.0795 47 T 5.0769 9.2990 112.4268 60.2929 71.3983 173.7785 48 V 4.7765 8.4363 124.1749 61.3231 35.1955 173.8405 49 V 4.5734 8.6865 128.3732 62.0706 32.3267 174.7255 50 A 4.3136 8.6848 130.4776 50.2794 20.3052 176.1415 51 G 3.4873 9.1433 112.9714 43.8410 0.0000 172.6274 52 I 3.4448 7.8239 115.1889 60.7230 34.4976 171.4229 53 A 4.3560 8.0452 123.7254 53.2813 17.1384 177.1558 54 K 3.9482 8.3021 120.1431 57.5177 30.2425 175.7032 55 Y 4.3814 7.6805 119.1815 58.3885 39.5091 175.0478 56 Y 4.5657 7.8194 116.3689 55.2332 40.9399 175.6987 57 T 4.1366 8.4065 116.3985 60.8465 70.9324 173.4864 58 P 4.3093 0.0000 0.0000 66.1642 30.9525 178.6080 59 E 3.9479 8.0857 117.2055 59.4025 29.5340 178.4585 60 E 4.1193 7.5409 118.2146 59.0934 30.0001 178.5150 61 L 4.3127 7.7817 118.7893 56.2849 41.3965 176.7608 62 V 3.9987 7.1940 118.3847 66.2328 30.8434 175.7865 63 G 4.0249 8.9862 117.3145 44.7256 0.0000 172.6573 64 K 4.1091 8.0859 122.6829 56.2297 33.2433 175.8742 65 K 4.8948 8.6830 126.9393 55.5384 33.2616 175.5349 66 I 4.9565 8.5226 125.8638 58.5249 41.2932 174.8551 67 V 4.6170 8.1351 123.7177 61.8037 33.1484 174.6839 68 I 4.9165 8.7419 128.2212 59.3501 41.2264 175.2652 69 V 3.8864 8.6554 125.8724 62.5220 31.3562 176.3401 70 A 4.1025 8.9057 130.6371 54.7799 18.4555 178.8202 71 N 4.4206 7.9527 108.1000 53.2365 37.3935 175.8274 72 L 3.9646 7.4974 121.5145 56.2576 41.9556 177.0923 73 K 4.6563 8.1619 113.3477 53.8466 36.3597 175.8510 74 P 4.3575 0.0000 0.0000 65.3403 31.8308 176.8233 75 R 4.6039 7.4677 115.0970 54.4002 33.9356 173.8392 76 K 4.3605 8.1260 122.8420 54.7062 33.4664 177.4433 77 I 3.3850 8.3377 119.9070 64.2165 37.4207 176.7117 78 F 4.6667 7.5632 118.6172 57.6606 38.5986 178.0938 79 G 4.1208 8.0871 112.7722 46.2460 0.0000 175.4418 80 I 3.6031 7.6523 121.1723 61.7242 37.4939 174.8859 81 E 4.2655 8.7776 124.7494 56.7628 29.6659 175.6594 82 S 4.6555 8.4176 118.9766 55.8982 64.0504 174.1843 83 Q 5.1298 8.9149 132.4092 53.2797 26.6208 174.7590 84 G 4.0697 7.5572 103.3423 42.4369 0.0000 172.1254 85 M 4.5119 8.3669 122.0508 53.6157 33.8911 175.3644 86 I 4.2170 8.2925 125.1943 60.7845 38.6654 175.8755 87 L 4.2697 8.6312 126.7778 54.5975 42.1070 175.5071 88 A 4.5751 8.4177 125.9930 49.8891 21.2084 176.0478 89 A 4.2577 8.9718 126.1110 51.2889 18.9650 176.5804 90 S 4.7267 8.5054 116.7339 58.5616 62.5631 174.4663 91 D 4.6495 8.9399 129.0781 53.7989 42.0405 177.3441 92 G 3.8359 8.5886 108.2076 48.9279 0.0000 172.9512 93 E 4.6783 7.4683 116.3892 56.6905 35.2459 175.8263 94 N 3.9880 7.6865 117.8845 52.2084 39.4717 174.0359 95 L 4.7479 7.2014 123.6290 53.4282 41.4155 175.6376 96 S 4.9410 9.0477 119.1098 57.7861 64.8760 173.6388 97 V 4.2376 8.1220 122.7219 61.9061 32.7508 175.6136 98 I 4.1140 7.9456 127.1733 61.0560 37.7672 175.1366 99 V 4.9252 8.3900 126.5975 58.9094 34.4037 173.5189 100 P 4.4988 0.0000 0.0000 62.5804 32.0478 176.0988 101 D 4.4533 8.8273 119.9887 56.9998 40.8557 176.3345 102 R 4.6768 7.4203 114.7264 53.6337 33.4143 174.3558 103 D 4.3738 8.6217 118.5203 55.0695 40.6289 176.2532 104 V 4.4225 8.0355 123.8455 60.5411 33.6972 175.4593 105 K 4.2765 8.2927 125.2196 55.8252 32.8047 176.5827 106 E 4.1780 8.4311 120.5959 57.8018 29.8915 177.6426 107 G 3.7247 8.7523 109.1434 45.6743 0.0000 173.1266 108 A 3.9683 7.3387 121.8669 52.2390 19.3665 177.7403 109 K 4.5784 8.5371 122.2966 56.4539 32.5585 177.6437 110 L 4.4470 8.5348 126.0990 54.8748 42.7285 177.7453 111 S 4.3172 8.4018 114.5859 59.1537 62.4592 174.5235 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 5 A 8.26 4.38 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 L 7.87 4.53 0.00 1.68 1.53 0.93 0.54 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 7 I 8.31 3.99 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.91 0.00 0.00 8 G 8.12 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 9 I 7.58 3.75 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.03 0.94 0.00 0.00 10 E 8.06 4.05 0.00 2.03 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 2.42 2.42 0.00 11 D 8.21 4.42 0.00 2.75 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 12 F 8.32 4.21 0.00 3.25 3.23 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 13 L 7.55 3.95 0.00 1.91 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.99 4.24 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.66 7.81 15 V 7.03 4.11 1.95 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 0.75 0.00 0.00 0.97 0.00 0.00 16 D 8.54 4.48 0.00 2.84 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 17 L 7.97 4.85 0.00 1.49 1.53 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.83 5.73 0.00 1.68 1.74 0.00 3.10 0.00 0.00 3.17 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 19 V 8.32 4.63 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 20 A 9.01 5.03 1.20 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 0.00 0.00 21 K 8.15 4.70 0.00 1.58 1.71 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 22 V 8.50 4.17 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 1.08 0.00 0.00 0.96 0.00 0.00 23 L 8.82 4.18 0.00 1.56 1.71 0.92 0.81 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 24 S 7.95 4.62 0.00 3.87 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 25 A 8.36 5.02 1.21 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 0.00 0.00 26 E 9.09 4.51 0.00 1.95 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 2.32 2.26 0.00 27 R 8.22 4.85 0.00 1.75 1.84 0.00 3.18 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 28 V 8.27 4.16 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 0.85 0.00 0.00 0.94 0.00 0.00 29 E 8.52 4.14 0.00 2.00 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 2.30 2.30 0.00 30 G 8.83 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 0.00 0.00 0.00 0.00 31 S 7.87 3.98 0.00 3.99 3.94 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 32 E 8.68 4.18 0.00 2.06 1.95 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 2.41 2.33 0.00 33 K 8.83 4.31 0.00 1.98 1.89 0.00 1.94 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.38 7.81 34 L 7.39 4.44 0.00 1.99 1.90 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.38 4.31 0.00 1.89 1.69 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.57 4.38 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.63 7.81 37 L 8.91 4.64 0.00 1.69 1.59 0.89 0.44 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 38 T 8.85 4.60 4.24 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 1.21 0.00 0.00 39 L 8.76 4.60 0.00 1.64 1.61 0.91 0.59 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 40 S 8.59 4.94 0.00 3.95 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 41 L 8.57 4.23 0.00 1.72 1.65 0.91 0.70 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 42 G 8.08 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 43 D 8.60 4.68 0.00 2.66 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 44 E 7.94 4.44 0.00 2.04 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 2.29 2.26 0.00 45 E 8.46 5.13 0.00 1.78 1.80 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 2.19 2.30 0.00 46 R 9.03 5.01 0.00 1.70 1.82 0.00 3.09 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 47 T 9.30 5.08 4.24 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 1.21 0.00 0.00 48 V 8.44 4.78 2.08 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 0.96 0.00 0.00 0.98 0.00 0.00 49 V 8.69 4.57 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 0.80 0.00 0.00 1.00 0.00 0.00 50 A 8.68 4.31 1.21 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 0.00 0.00 51 G 9.14 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.44 1.99 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 1.45 1.08 1.31 0.00 0.00 53 A 8.05 4.36 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 54 K 8.30 3.95 0.00 1.91 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.39 1.43 7.81 55 Y 7.68 4.38 0.00 2.91 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 56 Y 7.82 4.57 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 57 T 8.41 4.14 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 1.20 0.00 0.00 58 P 0.00 4.31 0.00 2.30 2.38 0.00 3.72 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 2.09 2.08 0.00 59 E 8.09 3.95 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 60 E 7.54 4.12 0.00 2.13 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 2.43 2.49 0.00 61 L 7.78 4.31 0.00 1.91 1.69 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.19 4.00 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 0.73 0.00 0.00 0.97 0.00 0.00 63 G 8.99 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 64 K 8.09 4.11 0.00 2.01 1.77 0.00 1.45 0.00 0.00 1.47 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.39 7.81 65 K 8.68 4.89 0.00 1.74 1.73 0.00 1.66 0.00 0.00 1.99 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 I 8.52 4.96 1.84 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 1.01 1.85 0.92 0.00 0.00 67 V 8.14 4.62 2.08 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 0.99 0.00 0.00 0.94 0.00 0.00 68 I 8.74 4.92 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.90 0.00 0.00 69 V 8.66 3.89 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 0.88 0.00 0.00 0.91 0.00 0.00 70 A 8.91 4.10 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 71 N 7.95 4.42 0.00 2.82 2.90 0.00 0.00 5.95 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 72 L 7.50 3.96 0.00 1.81 1.51 0.91 0.46 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 73 K 8.16 4.66 0.00 1.78 1.61 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 74 P 0.00 4.36 0.00 2.16 2.16 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 75 R 7.47 4.60 0.00 1.75 1.80 0.00 3.18 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 76 K 8.13 4.36 0.00 1.81 1.90 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.46 7.81 77 I 8.34 3.38 1.55 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.03 0.74 0.00 0.00 78 F 7.56 4.67 0.00 3.22 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 79 G 8.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.65 3.60 1.95 0.00 0.00 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 1.35 1.13 0.95 0.00 0.00 81 E 8.78 4.27 0.00 1.93 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 2.41 2.32 0.00 82 S 8.42 4.66 0.00 3.83 3.74 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 83 Q 8.91 5.13 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.63 2.23 0.00 84 G 7.56 4.07 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 0.00 0.00 0.00 85 M 8.37 4.51 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 86 I 8.29 4.22 1.86 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 1.33 0.46 0.88 0.00 0.00 87 L 8.63 4.27 0.00 1.63 1.65 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.42 4.58 1.22 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 0.00 0.00 0.00 89 A 8.97 4.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.51 4.73 0.00 3.87 3.92 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 91 D 8.94 4.65 0.00 2.79 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 92 G 8.59 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 93 E 7.47 4.68 0.00 1.98 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 2.09 2.12 0.00 94 N 7.69 3.99 0.00 2.73 2.38 0.00 0.00 7.11 6.74 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 95 L 7.20 4.75 0.00 1.54 1.70 0.92 0.89 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 96 S 9.05 4.94 0.00 4.07 4.15 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 97 V 8.12 4.24 1.69 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 0.61 0.00 0.00 0.18 0.00 0.00 98 I 7.95 4.11 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 1.13 1.33 0.92 0.00 0.00 99 V 8.39 4.93 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 0.92 0.00 0.00 0.93 0.00 0.00 100 P 0.00 4.50 0.00 2.22 2.05 0.00 4.01 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 101 D 8.83 4.45 0.00 2.70 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 0.00 102 R 7.42 4.68 0.00 1.76 1.84 0.00 3.38 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 103 D 8.62 4.37 0.00 2.67 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 0.00 104 V 8.04 4.42 2.08 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 0.84 0.00 0.00 0.98 0.00 0.00 105 K 8.29 4.28 0.00 1.86 1.71 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.46 7.81 106 E 8.43 4.18 0.00 1.95 2.08 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 2.31 2.30 0.00 107 G 8.75 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 0.00 0.00 0.00 108 A 7.34 3.97 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 0.00 109 K 8.54 4.58 0.00 1.65 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.51 7.81 110 L 8.53 4.45 0.00 1.48 1.68 0.96 0.79 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 0.00 111 S 8.40 4.32 0.00 4.00 3.81 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