NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7916 8.3133 118.0631 57.3284 43.2336 172.0555 2 E 4.9096 8.7706 123.0731 55.2286 31.0608 172.1640 3 E 4.2898 9.6991 119.3994 56.7984 30.8047 175.4479 4 P 3.7980 0.0000 0.0000 61.3814 31.9965 174.6596 5 P 4.3689 0.0000 0.0000 63.2356 31.8350 176.0554 6 T 4.7216 7.9333 110.0639 60.3889 70.7553 173.4396 7 F 4.6610 8.2152 119.9273 55.9992 43.0839 174.3222 8 E 4.2110 8.8987 120.7531 57.0947 30.1282 176.1029 9 A 3.7636 7.7930 119.6853 51.7724 21.5524 176.2637 10 M 5.1616 7.7608 111.4982 53.5084 34.5481 174.7903 11 E 4.8848 8.9491 119.4812 54.2771 33.2656 174.5779 12 L 4.2388 8.4856 121.0569 54.9415 43.2544 176.0326 13 I 4.1215 8.0591 124.9651 61.8988 38.3677 176.1726 14 G 3.7332 8.8083 117.6913 44.4759 0.0000 172.5517 15 K 4.0490 8.1906 119.9511 53.8935 32.1533 170.8518 16 P 4.6885 0.0000 0.0000 60.7810 30.9412 176.1881 17 K 4.1453 8.7941 124.2762 55.0798 32.7548 176.2127 18 P 4.6295 0.0000 0.0000 64.6390 31.5821 176.3976 19 Y 5.6360 7.3763 117.2494 55.2261 41.5708 174.3722 20 Y 4.5248 8.1340 124.0341 56.3146 41.3433 173.4148 21 E 4.4734 8.6891 119.9132 54.1603 33.7738 175.5110 22 I 4.0181 8.0767 123.1653 62.6205 37.2558 176.7892 23 G 3.9670 9.2571 115.9086 44.8336 0.0000 173.0987 24 E 4.1372 7.9098 121.7073 56.2482 30.5383 175.5898 25 R 5.3633 8.6500 126.9493 54.6723 32.8914 175.2668 26 V 4.3736 8.3939 123.1094 60.0299 34.9421 174.0820 27 D 5.0768 8.3524 122.2777 52.9484 43.7152 174.7224 28 Y 5.2089 8.7596 118.7367 56.0671 41.0427 175.2230 29 K 4.7442 8.6666 120.0679 54.9523 36.4616 174.7435 30 C 4.8697 8.7165 118.8206 56.8540 41.8380 174.0273 31 K 4.5304 9.1633 123.0157 55.6571 33.2720 176.5053 32 K 3.8917 8.7242 122.7190 58.7467 32.4149 176.8218 33 G 4.1504 9.4529 114.0685 45.0405 0.0000 172.0461 34 Y 5.4950 8.1189 116.4632 56.1716 41.1913 175.0912 35 F 5.2504 9.4091 115.8061 55.4438 41.9150 172.9149 36 Y 5.0248 8.7678 121.1302 56.8844 40.5468 174.0683 37 I 4.3552 7.4302 125.9739 58.5177 40.3443 173.8816 38 P 4.2497 0.0000 0.0000 61.7578 31.7346 174.0865 39 P 4.7941 0.0000 0.0000 62.4120 31.4308 175.0945 40 L 4.0555 7.7474 118.6671 55.4727 42.0359 175.8207 41 A 4.8528 8.2721 122.3693 51.1490 20.7779 177.0874 42 T 4.7812 8.3134 111.9991 61.3493 69.7476 173.1488 43 H 5.4086 8.1905 115.3470 55.7322 32.2431 171.7536 44 T 4.6314 8.3669 111.9173 60.8982 71.3876 172.3250 45 I 5.2500 8.3366 124.7141 59.7711 41.9604 175.5332 46 C 4.3860 8.9755 126.0687 55.2374 43.4021 173.1549 47 D 4.5741 8.1912 127.9090 52.6684 40.7657 177.4059 48 R 4.0706 8.7616 116.4711 59.8446 29.0042 174.7095 49 N 4.5049 8.1423 111.9739 53.8654 38.4432 174.3540 50 H 3.8554 8.1245 114.7034 56.8266 26.4467 174.5372 51 T 4.5307 7.2529 105.9856 59.3951 72.0109 172.5312 52 W 4.9353 8.4673 122.6262 56.1390 29.8785 176.4569 53 L 4.3067 8.4874 124.6736 54.1699 42.0932 175.1562 54 P 4.6267 0.0000 0.0000 63.1420 31.9569 177.1108 55 V 4.2605 7.9416 119.4592 60.9386 33.8212 172.6318 56 S 4.8933 8.2877 118.0432 56.4642 66.1115 173.4467 57 D 4.3375 8.5478 121.7987 53.4838 39.1887 176.6040 58 D 4.3445 7.5569 118.0181 56.0636 42.4269 178.2408 59 A 3.8577 7.6469 120.6709 54.1361 19.7360 177.5020 60 C 4.8475 7.7838 112.5783 56.2299 40.5366 173.3590 61 Y 4.5348 8.3598 122.3489 56.7942 39.6891 174.9884 62 R 4.1035 8.4721 121.6129 55.2728 31.3095 176.0169 63 E 4.4060 8.8117 125.6706 57.2187 30.7558 176.4052 64 T 5.0515 8.3478 112.5378 60.5814 71.6544 173.8674 65 C 4.8803 8.4505 119.0212 54.2565 42.4790 172.7063 66 P 4.5650 0.0000 0.0000 62.6349 31.5984 176.0524 67 Y 4.1560 8.6237 122.1991 57.9454 39.1955 175.6192 68 I 4.0895 7.7619 127.2180 58.9695 38.4745 175.5592 69 R 3.6845 7.9341 126.0034 55.5807 30.5954 175.9031 70 D 4.4489 8.6358 123.5884 54.1575 41.4087 175.0820 71 P 4.2346 0.0000 0.0000 62.1791 31.9958 175.5373 72 L 3.9724 8.2466 123.4388 56.7351 42.5499 176.7300 73 N 4.0703 8.9781 121.1633 53.4943 36.6580 173.2396 74 G 4.3272 7.6575 107.1484 45.8674 0.0000 172.3825 75 Q 4.5507 8.3876 119.4353 55.3374 33.4522 173.9396 76 A 4.3752 8.9369 129.5906 50.6712 20.1546 176.6469 77 V 4.2162 8.1103 116.7409 59.0403 34.7364 173.9704 78 P 4.1982 0.0000 0.0000 62.3927 32.1255 176.5115 79 A 4.5696 8.1566 126.7711 52.0688 18.1814 178.0688 80 N 4.6400 8.2187 111.8490 54.5180 43.0078 176.2850 81 G 4.0276 8.0290 106.1798 45.8098 0.0000 173.4688 82 T 4.7882 7.2004 112.3620 60.5269 70.5460 173.0487 83 Y 4.7043 8.5924 121.9288 57.6460 38.5806 175.7978 84 E 4.5462 8.0981 120.9327 56.0407 30.2024 176.5276 85 F 4.6158 7.6977 115.5163 57.8327 38.4820 176.1175 86 G 3.7783 9.4607 111.1510 45.0669 0.0000 172.6818 87 Y 5.0937 7.3335 116.9051 56.3644 42.0908 174.6548 88 Q 5.3413 8.8125 119.0273 54.7695 32.5661 174.1315 89 M 4.6126 8.5935 119.6574 53.9901 35.2688 173.5708 90 H 5.1155 8.5908 125.3324 54.3685 32.8023 172.9298 91 F 5.2879 8.6932 122.8404 55.7781 41.6157 174.7292 92 I 4.7500 8.6255 123.4302 59.7593 41.1836 173.5740 93 C 4.8689 8.7872 123.4645 55.2519 39.2974 173.4914 94 N 4.6333 8.7286 122.9741 53.7759 39.6872 175.0676 95 E 4.2281 8.7036 116.4055 57.7047 30.1719 178.4301 96 G 3.9490 9.2416 110.7432 44.7106 0.0000 172.6190 97 Y 5.3375 7.7934 116.0926 56.2676 41.8445 174.4079 98 Y 5.0227 9.0803 119.0027 55.1684 41.8398 174.1876 99 L 4.8490 8.5958 122.6450 54.2968 43.4356 175.7439 100 I 4.1609 8.2699 118.2733 60.4200 40.0182 173.3734 101 G 3.5691 8.7190 116.2700 45.4321 0.0000 167.5439 102 E 3.6490 8.1356 123.6274 56.4854 26.3906 174.0942 103 E 4.5318 8.3688 120.4522 56.6738 31.0982 175.9541 104 I 5.6139 7.3323 120.1248 59.0121 41.4187 174.3030 105 L 4.7212 8.3306 125.3345 53.0594 45.2151 175.1702 106 Y 4.8436 8.3842 121.7144 57.9746 39.7748 174.2464 107 C 4.6943 9.1537 124.9192 55.3468 42.8099 172.5206 108 E 4.6209 8.6105 124.6831 54.5424 31.9617 175.1346 109 L 4.2856 8.0486 125.6794 54.1821 41.6639 176.8753 110 K 4.3432 8.4887 129.9252 54.0587 33.1950 174.3808 111 G 4.1021 8.3054 118.0753 45.6791 0.0000 174.7325 112 S 4.5638 8.8633 120.9217 57.9210 63.9221 173.6086 113 V 4.2996 7.2558 119.1109 60.6951 33.5143 173.8241 114 A 4.9595 8.4492 128.0439 50.5636 20.3853 176.3234 115 I 4.6481 8.0628 115.4960 58.9113 41.8761 174.1602 116 W 5.0033 8.6415 122.8100 56.1421 29.5025 176.5519 117 S 4.3343 9.8066 120.9817 61.5799 62.4977 173.9242 118 G 4.4245 7.9130 106.3941 44.0178 0.0000 170.7112 119 K 4.5880 8.4741 120.7864 53.5311 33.8930 175.2341 120 P 3.5448 0.0000 0.0000 62.6292 31.6367 174.3967 121 P 4.4082 0.0000 0.0000 62.1055 32.9700 175.0633 122 I 4.4860 7.7869 119.4676 59.8552 40.8388 174.6039 123 C 5.2392 8.5307 121.3074 55.3689 43.3017 173.0852 124 E 4.8132 8.8993 128.0294 54.6646 31.8601 177.2394 125 K 3.9148 8.8887 123.9035 54.2905 31.9259 178.2769 126 V 3.6093 8.1631 124.0053 64.4561 32.3736 171.9088 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 C 8.31 4.79 0.00 2.53 2.84 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 2 E 8.77 4.91 0.00 2.20 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 0.00 2.38 2.50 0.00 3 E 9.70 4.29 0.00 2.20 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 2.50 2.55 0.00 4 P 0.00 3.80 0.00 1.72 0.96 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.29 0.00 5 P 0.00 4.37 0.00 2.13 1.83 0.00 3.53 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 6 T 7.93 4.72 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 7 F 8.22 4.66 0.00 2.89 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 8 E 8.90 4.21 0.00 1.89 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 2.25 2.30 0.00 9 A 7.79 3.76 0.77 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 10 M 7.76 5.16 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 11 E 8.95 4.88 0.00 2.08 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 2.22 2.25 0.00 12 L 8.49 4.24 0.00 1.58 1.56 0.46 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.06 4.12 1.81 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 1.11 0.78 0.86 0.00 0.00 14 G 8.81 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 15 K 8.19 4.05 0.00 1.79 1.62 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.69 0.00 2.07 2.10 0.00 3.65 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 2.03 2.12 0.00 17 K 8.79 4.15 0.00 0.79 1.06 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.33 7.81 18 P 0.00 4.63 0.00 2.06 2.12 0.00 3.56 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 19 Y 7.38 5.64 0.00 2.83 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 20 Y 8.13 4.52 0.00 2.79 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 21 E 8.69 4.47 0.00 1.99 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 0.00 2.19 2.27 0.00 22 I 8.08 4.02 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.40 0.97 0.00 0.00 23 G 9.26 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 24 E 7.91 4.14 0.00 2.22 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 2.40 2.30 0.00 25 R 8.65 5.36 0.00 1.91 1.80 0.00 3.30 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 26 V 8.39 4.37 1.54 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 -0.27 0.00 0.00 0.57 0.00 0.00 27 D 8.35 5.08 0.00 2.54 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 28 Y 8.76 5.21 0.00 2.69 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 29 K 8.67 4.74 0.00 1.78 1.83 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.72 4.87 0.00 3.01 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 31 K 9.16 4.53 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.38 7.81 32 K 8.72 3.89 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 33 G 9.45 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 0.00 0.00 0.00 34 Y 8.12 5.49 0.00 3.00 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 35 F 9.41 5.25 0.00 3.23 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 36 Y 8.77 5.02 0.00 3.11 2.89 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 37 I 7.43 4.36 1.83 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.75 0.00 0.00 38 P 0.00 4.25 0.00 2.01 2.06 0.00 3.58 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 39 P 0.00 4.79 0.00 2.15 2.13 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 40 L 7.75 4.06 0.00 1.60 1.66 0.87 0.72 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 41 A 8.27 4.85 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 42 T 8.31 4.78 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 1.19 0.00 0.00 43 H 8.19 5.41 0.00 3.06 3.19 0.00 5.51 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 44 T 8.37 4.63 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 0.86 0.00 0.00 45 I 8.34 5.25 1.94 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 1.33 1.08 0.99 0.00 0.00 46 C 8.98 4.39 0.00 2.06 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 47 D 8.19 4.57 0.00 2.85 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 48 R 8.76 4.07 0.00 1.76 2.01 0.00 3.25 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 49 N 8.14 4.50 0.00 2.69 2.89 0.00 0.00 6.91 8.16 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 50 H 8.12 3.86 0.00 3.24 3.37 0.00 5.79 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 51 T 7.25 4.53 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 1.25 0.00 0.00 52 W 8.47 4.94 0.00 3.24 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 53 L 8.49 4.31 0.00 1.61 1.70 0.96 1.39 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 54 P 0.00 4.63 0.00 1.95 2.01 0.00 3.74 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 2.05 2.11 0.00 55 V 7.94 4.26 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 0.90 0.00 0.00 0.58 0.00 0.00 56 S 8.29 4.89 0.00 4.07 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 57 D 8.55 4.34 0.00 2.56 2.49 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 58 D 7.56 4.34 0.00 2.53 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 A 7.65 3.86 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 60 C 7.78 4.85 0.00 2.66 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 61 Y 8.36 4.53 0.00 2.39 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 62 R 8.47 4.10 0.00 1.54 1.58 0.00 2.50 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 E 8.81 4.41 0.00 2.27 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 2.35 2.47 0.00 64 T 8.35 5.05 4.32 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 1.32 0.00 0.00 65 C 8.45 4.88 0.00 2.46 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 0.00 0.00 0.00 0.00 66 P 0.00 4.57 0.00 2.30 2.13 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 67 Y 8.62 4.16 0.00 2.74 2.89 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 68 I 7.76 4.09 1.63 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.79 0.00 0.00 69 R 7.93 3.68 0.00 1.68 1.77 0.00 3.33 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 70 D 8.64 4.45 0.00 2.70 2.62 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 71 P 0.00 4.23 0.00 2.12 1.87 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 72 L 8.25 3.97 0.00 1.51 1.49 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.07 0.00 2.31 1.42 0.00 0.00 6.77 7.66 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 74 G 7.66 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 0.00 0.00 0.00 0.00 75 Q 8.39 4.55 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 76 A 8.94 4.38 1.10 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 77 V 8.11 4.22 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 0.65 0.00 0.00 0.86 0.00 0.00 78 P 0.00 4.20 0.00 2.03 1.61 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.73 0.00 79 A 8.16 4.57 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 80 N 8.22 4.64 0.00 2.46 2.47 0.00 0.00 6.96 8.29 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 81 G 8.03 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 82 T 7.20 4.79 4.13 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 0.73 0.00 0.00 83 Y 8.59 4.70 0.00 3.13 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 84 E 8.10 4.55 0.00 2.29 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 85 F 7.70 4.62 0.00 3.00 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 86 G 9.46 3.78 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 0.00 0.00 0.00 87 Y 7.33 5.09 0.00 3.12 2.84 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 88 Q 8.81 5.34 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 89 M 8.59 4.61 0.00 1.46 1.16 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.51 0.00 90 H 8.59 5.12 0.00 3.10 3.00 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.69 5.29 0.00 2.81 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 92 I 8.63 4.75 1.90 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 1.29 0.83 0.95 0.00 0.00 93 C 8.79 4.87 0.00 2.92 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 94 N 8.73 4.63 0.00 2.88 2.85 0.00 0.00 6.83 7.18 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 95 E 8.70 4.23 0.00 1.98 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 2.23 1.89 0.00 96 G 9.24 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 97 Y 7.79 5.34 0.00 2.99 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 98 Y 9.08 5.02 0.00 3.01 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 99 L 8.60 4.85 0.00 1.67 1.60 0.91 0.93 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 0.00 100 I 8.27 4.16 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 0.64 0.00 0.00 101 G 8.72 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 0.00 102 E 8.14 3.65 0.00 2.02 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 0.00 2.13 2.22 0.00 103 E 8.37 4.53 0.00 2.20 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 2.31 2.25 0.00 104 I 7.33 5.61 1.71 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 1.35 0.03 0.44 0.00 0.00 105 L 8.33 4.72 0.00 1.48 1.68 0.80 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 0.00 106 Y 8.38 4.84 0.00 3.06 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 0.00 107 C 9.15 4.69 0.00 1.61 2.99 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 0.00 0.00 0.00 108 E 8.61 4.62 0.00 1.86 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 2.21 2.28 0.00 109 L 8.05 4.29 0.00 0.33 0.75 0.83 -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 0.00 0.00 0.00 0.00 110 K 8.49 4.34 0.00 1.73 1.70 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.22 7.81 111 G 8.31 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 0.00 112 S 8.86 4.56 0.00 3.86 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 0.00 113 V 7.26 4.30 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 0.94 0.00 0.00 0.91 0.00 0.00 114 A 8.45 4.96 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 0.00 115 I 8.06 4.65 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 1.17 1.11 0.89 0.00 0.00 116 W 8.64 5.00 0.00 3.26 3.18 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 0.00 117 S 9.81 4.33 0.00 3.99 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 0.00 118 G 7.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.59 0.00 1.68 1.63 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.38 7.81 120 P 0.00 3.54 0.00 1.86 1.75 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 121 P 0.00 4.41 0.00 1.54 1.95 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.75 0.00 122 I 7.79 4.49 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.13 0.78 0.00 0.00 123 C 8.53 5.24 0.00 2.86 2.89 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 0.00 124 E 8.90 4.81 0.00 1.65 1.12 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 2.30 2.42 0.00 125 K 8.89 3.91 0.00 1.82 1.68 0.00 2.01 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.16 3.61 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 0.75 0.00 0.00 1.09 0.00 0.00