NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7605 8.2833 119.2342 53.2652 40.2232 175.2654 2 L 4.1472 8.2308 124.3241 56.3097 41.5345 174.9337 3 V 3.6159 9.5212 120.4869 66.0593 31.9987 177.0526 4 N 4.4153 8.4662 115.8144 56.5920 38.3690 176.7362 5 F 4.5566 8.4057 121.5297 61.7503 39.5142 176.3847 6 H 3.9256 8.5899 118.0655 59.6454 29.6564 177.4678 7 R 4.0043 8.3301 119.6435 59.1299 29.7597 178.4890 8 M 4.0542 8.3193 118.3353 58.9321 32.0800 178.4839 9 I 3.7804 7.7323 119.6746 63.9945 37.2389 178.0982 10 K 3.9528 7.8326 120.4453 59.6067 31.7665 178.3752 11 L 3.9971 7.6330 117.9252 58.3713 41.7273 179.4335 12 T 4.2229 7.4511 106.4052 63.4709 68.9505 175.3094 13 T 4.3815 8.1302 109.3705 59.9430 70.1497 175.4040 14 G 3.9542 8.4541 109.7191 46.0276 0.0000 173.9531 15 K 4.2542 7.3361 117.4473 55.4017 33.3865 177.7975 16 E 4.2886 8.3651 120.8690 55.0943 28.9376 176.8728 17 A 4.1524 8.5519 126.7974 55.3200 18.3989 178.8120 18 A 3.9412 8.1593 118.4775 55.1601 18.2953 179.2404 19 L 4.5163 7.7553 114.9092 57.1579 42.6569 178.9908 20 S 4.2577 7.6766 115.1998 60.2513 62.7056 174.6338 21 Y 4.7358 7.9564 116.4299 57.2223 39.7655 177.7232 22 G 3.7808 8.1711 107.8894 47.2205 0.0000 174.1317 23 F 4.8563 7.8500 113.8628 56.2211 41.1953 173.8610 24 Y 3.9863 7.0603 122.6097 57.9523 39.2371 176.0275 25 G 3.7574 8.3166 118.1159 46.5649 0.0000 173.1573 26 C 4.5148 8.8314 115.7306 59.6150 40.7135 175.2483 27 H 4.3363 8.6263 114.5242 56.5806 29.0008 174.5629 28 C 4.6093 8.4105 117.0432 56.9242 40.3472 173.3112 29 G 3.5647 8.6308 112.6555 43.8051 0.0000 171.7947 30 V 3.5859 8.0804 121.6469 64.0275 31.8994 177.7915 31 G 3.8769 8.5351 117.7448 46.7083 0.0000 171.7328 32 G 4.6505 7.8230 115.8175 45.6795 0.0000 171.7716 33 R 4.5154 7.7799 118.9091 55.3680 32.8844 175.1921 34 G 3.9627 8.5730 107.9053 44.9324 0.0000 173.1154 35 S 4.7089 8.3641 115.0869 56.6133 63.7507 173.2440 36 P 4.4559 0.0000 0.0000 63.9660 30.3221 178.7503 37 K 4.2446 7.3419 123.6431 57.4896 34.2795 175.2209 38 D 4.5350 7.3649 114.3713 51.2771 41.8366 175.0563 39 A 3.9948 8.8310 120.0976 56.1984 18.3816 179.6190 40 T 4.0298 7.9854 113.5415 66.7724 68.5434 176.3334 41 D 4.5332 8.3322 119.7673 57.3695 40.5820 178.3310 42 R 4.0385 8.3847 118.3049 58.6444 29.9519 178.3070 43 C 4.4906 8.6701 117.4828 60.0119 38.3569 175.1242 44 C 4.3151 8.4003 117.9111 60.0182 39.9016 176.2971 45 V 3.5094 8.0105 120.7728 65.2501 30.7132 178.6796 46 T 3.9049 7.4367 116.7133 66.4344 68.2292 176.4277 47 H 4.0192 8.0419 120.2358 59.3324 29.9287 177.1217 48 D 4.3046 8.5222 121.1449 57.3678 40.5416 178.1217 49 C 4.2759 8.1673 117.1897 60.0743 40.4906 175.2829 50 C 4.2030 8.3020 120.0614 60.0885 39.5367 175.3373 51 Y 3.9286 8.3914 118.3444 60.3868 37.3073 178.1372 52 K 3.9167 8.0006 121.0797 59.2128 32.3532 178.4257 53 R 3.8635 8.1153 118.9537 59.7797 29.9337 178.3728 54 L 3.9598 8.0071 118.5231 57.7772 41.6723 179.3860 55 E 4.2657 8.0580 118.6629 58.4966 29.2921 178.9993 56 K 4.0759 8.1467 122.6596 59.7322 32.3263 179.1105 57 R 4.1882 7.4674 119.8063 59.0504 29.5725 180.8188 58 G 4.2653 7.7652 103.9378 45.9771 0.0000 173.5396 59 C 4.4779 8.2670 118.2050 56.0420 40.9343 173.7883 60 G 3.8941 8.4161 111.9626 46.1994 0.0000 172.1071 61 T 4.0409 7.8632 107.9025 62.7319 70.8428 176.4261 62 K 4.0765 7.7247 121.8876 57.1160 32.5982 178.8240 63 F 4.3860 7.1812 113.5315 57.9303 40.6455 176.1560 64 L 4.0206 7.9524 122.3229 55.3290 42.1186 176.1556 65 S 4.4732 8.6067 122.7604 57.8125 63.8110 172.8186 66 Y 5.0076 7.4762 121.6414 54.9674 41.4605 174.1821 67 K 4.7718 9.5364 118.0988 55.1150 35.3373 175.3793 68 F 5.4584 8.3303 115.5125 56.0886 41.4066 173.0721 69 S 4.5714 9.1503 111.5326 57.2193 66.4184 172.8575 70 N 5.4392 8.6113 117.9242 51.7422 40.3941 175.2579 71 S 4.5561 9.1304 115.6762 57.5096 65.3123 175.7824 72 G 3.8731 7.9201 117.9873 47.1482 0.0000 172.1665 73 S 4.5906 8.7877 121.0142 58.0709 62.9842 172.9986 74 R 4.4261 7.9494 123.1878 55.4413 30.8732 175.3363 75 I 5.0164 8.3743 127.1516 60.5678 39.4047 175.5014 76 T 4.6692 9.1848 121.8778 62.2265 72.5395 172.4476 77 C 5.0685 8.9855 124.3273 56.2686 41.0971 173.7420 78 A 4.4043 8.7062 125.7429 51.3576 19.1262 177.3095 79 K 4.1184 8.4978 119.2467 56.5901 32.6935 176.9257 80 Q 4.5292 7.8635 119.7400 54.0564 31.5921 174.0616 81 D 4.5571 8.4577 117.3824 53.6273 41.2099 177.0207 82 S 4.1437 8.6287 116.5851 62.0142 62.7717 177.5591 83 C 4.1696 8.2625 118.5651 60.3478 39.6837 176.3588 84 R 3.8986 7.9687 119.3754 59.2337 29.6606 179.2906 85 S 4.0438 8.4233 115.3237 61.9423 62.9375 176.9902 86 Q 3.9390 8.5214 120.6750 58.4634 28.2431 178.7912 87 L 3.7586 7.8374 121.7564 58.0743 42.0731 178.1778 88 C 2.9359 7.6085 118.2721 59.3770 44.7245 175.3251 89 E 3.6875 8.0147 120.1280 59.5583 28.8093 178.2882 90 C 4.0578 8.0371 116.4583 60.3672 41.3774 175.8868 91 D 3.5064 8.0290 119.8367 56.9910 40.3805 178.6255 92 K 3.6578 7.8557 119.9315 59.7327 32.0631 178.2855 93 A 3.8413 7.9152 120.3906 55.1086 18.2057 179.4577 94 A 3.4035 7.4658 118.8639 55.1900 18.5028 179.6264 95 A 3.7520 7.9406 119.0962 55.5614 18.3138 179.9466 96 T 3.7065 8.0275 114.4734 67.0327 68.1197 176.1332 97 C 4.3404 8.2445 120.0042 59.1879 43.3273 175.5968 98 F 4.3803 7.7291 118.7047 60.1851 38.8543 177.2111 99 A 4.1628 8.0030 120.4232 55.2622 17.9972 179.4738 100 R 3.9426 7.6007 115.2168 59.6137 30.2458 178.6071 101 N 4.8964 7.7146 113.7494 53.5787 39.5728 177.5697 102 K 4.2015 8.2078 125.1285 59.5557 32.0169 178.4615 103 T 3.8422 7.8317 108.3376 65.1261 68.8867 175.3173 104 T 3.9565 7.2246 118.6168 65.9492 68.7170 174.2806 105 Y 3.9602 7.9284 122.5237 58.0998 39.2031 174.4532 106 N 5.0476 9.0617 126.0809 51.7058 39.7834 175.1529 107 K 4.0610 8.6901 123.8830 56.8907 31.2674 178.6997 108 K 3.9862 7.4780 121.6020 59.0003 32.6111 177.8773 109 Y 4.1520 6.8947 112.9091 59.0634 38.2126 178.0851 110 Q 3.7110 7.9293 123.4935 58.4944 29.1868 176.7584 111 Y 4.9765 7.5314 113.8213 57.5173 39.1130 174.7589 112 Y 4.1533 8.1532 120.9500 57.8112 39.4474 175.4963 113 S 4.3856 7.9438 123.2965 57.3390 62.9428 174.6661 114 N 4.3191 8.8405 124.3910 55.7046 38.6468 177.5608 115 K 3.8909 7.5913 118.5023 59.4996 32.3373 176.2220 116 H 4.6997 7.3654 113.1023 55.6352 28.6101 174.2779 117 C 4.6626 8.4995 119.0042 56.1353 38.9011 173.4237 118 R 4.6837 8.6310 123.8743 54.7627 32.4825 175.3578 119 G 3.6633 8.2711 104.5937 44.6240 0.0000 173.4031 120 S 4.2371 8.4693 113.7736 59.1890 63.7896 171.2412 121 T 4.0348 7.8632 124.1502 61.6614 69.2330 168.3071 122 P 3.9944 0.0000 0.0000 63.3160 30.6891 175.4538 123 R 4.2056 8.6786 116.2410 55.2927 31.9860 174.5608 124 C 4.4461 8.6287 122.1405 57.2904 41.3726 173.4305 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 N 8.28 4.76 0.00 2.99 2.63 0.00 0.00 7.10 5.78 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 2 L 8.23 4.15 0.00 1.72 1.76 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.52 3.62 2.23 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 1.08 0.00 0.00 0.97 0.00 0.00 4 N 8.47 4.42 0.00 2.79 2.68 0.00 0.00 6.64 8.13 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 5 F 8.41 4.56 0.00 3.39 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 6 H 8.59 3.93 0.00 3.30 3.59 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 7 R 8.33 4.00 0.00 2.15 2.08 0.00 3.26 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 8 M 8.32 4.05 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 9 I 7.73 3.78 1.83 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.24 0.89 0.00 0.00 10 K 7.83 3.95 0.00 1.81 1.93 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 11 L 7.63 4.00 0.00 1.89 1.79 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.45 4.22 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 13 T 8.13 4.38 4.29 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 1.27 0.00 0.00 14 G 8.45 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 15 K 7.34 4.25 0.00 1.84 1.63 0.00 1.22 0.00 0.00 1.41 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.52 7.81 16 E 8.37 4.29 0.00 2.06 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 2.42 2.50 0.00 17 A 8.55 4.15 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 18 A 8.16 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.52 0.00 1.71 1.83 1.27 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.68 4.26 0.00 2.98 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 21 Y 7.96 4.74 0.00 2.96 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 23 F 7.85 4.86 0.00 3.25 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 24 Y 7.06 3.99 0.00 3.03 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 25 G 8.32 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 0.00 0.00 0.00 26 C 8.83 4.51 0.00 3.08 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 27 H 8.63 4.34 0.00 3.23 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.41 4.61 0.00 3.36 3.40 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 29 G 8.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.59 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 0.88 0.00 0.00 1.00 0.00 0.00 31 G 8.54 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 32 G 7.82 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.78 4.52 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 34 G 8.57 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 35 S 8.36 4.71 0.00 3.87 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 36 P 0.00 4.46 0.00 2.04 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 37 K 7.34 4.24 0.00 1.65 1.45 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.21 7.81 38 D 7.36 4.53 0.00 2.89 2.82 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 0.00 0.00 0.00 39 A 8.83 3.99 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 40 T 7.99 4.03 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 0.79 0.00 0.00 41 D 8.33 4.53 0.00 3.05 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 42 R 8.38 4.04 0.00 2.14 2.03 0.00 3.17 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 43 C 8.67 4.49 0.00 3.35 3.05 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 0.00 0.00 0.00 44 C 8.40 4.32 0.00 3.30 3.27 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 0.00 45 V 8.01 3.51 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 0.81 0.00 0.00 0.85 0.00 0.00 46 T 7.44 3.90 4.35 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 1.16 0.00 0.00 47 H 8.04 4.02 0.00 2.94 3.28 0.00 5.61 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 48 D 8.52 4.30 0.00 2.77 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 49 C 8.17 4.28 0.00 3.16 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 50 C 8.30 4.20 0.00 3.09 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 51 Y 8.39 3.93 0.00 2.98 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 52 K 8.00 3.92 0.00 2.00 2.00 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 53 R 8.12 3.86 0.00 1.90 2.26 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 54 L 8.01 3.96 0.00 1.93 1.54 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.06 4.27 0.00 2.20 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 2.56 2.20 0.00 56 K 8.15 4.08 0.00 1.90 1.99 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 57 R 7.47 4.19 0.00 1.91 1.82 0.00 3.29 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 58 G 7.77 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 0.00 0.00 0.00 0.00 59 C 8.27 4.48 0.00 2.94 2.95 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 60 G 8.42 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 61 T 7.86 4.04 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 0.81 0.00 0.00 62 K 7.72 4.08 0.00 1.04 1.17 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.62 1.44 7.81 63 F 7.18 4.39 0.00 3.00 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 64 L 7.95 4.02 0.00 1.61 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.61 4.47 0.00 3.91 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 66 Y 7.48 5.01 0.00 3.22 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 67 K 9.54 4.77 0.00 1.91 1.91 0.00 1.27 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.46 7.81 68 F 8.33 5.46 0.00 3.29 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 69 S 9.15 4.57 0.00 3.84 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 70 N 8.61 5.44 0.00 2.97 2.96 0.00 0.00 5.84 7.64 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 71 S 9.13 4.56 0.00 3.81 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 72 G 7.92 3.87 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 0.00 0.00 0.00 73 S 8.79 4.59 0.00 3.88 3.90 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 74 R 7.95 4.43 0.00 1.93 2.08 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 75 I 8.37 5.02 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 1.18 0.00 0.00 76 T 9.18 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 1.25 0.00 0.00 77 C 8.99 5.07 0.00 2.86 3.04 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 0.00 0.00 0.00 78 A 8.71 4.40 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 79 K 8.50 4.12 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 80 Q 7.86 4.53 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 81 D 8.46 4.56 0.00 2.89 2.85 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 82 S 8.63 4.14 0.00 3.86 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 83 C 8.26 4.17 0.00 3.17 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 84 R 7.97 3.90 0.00 1.99 2.09 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 1.73 1.96 0.00 85 S 8.42 4.04 0.00 3.79 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 86 Q 8.52 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 87 L 7.84 3.76 0.00 1.90 1.51 1.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.61 2.94 0.00 2.44 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 89 E 8.01 3.69 0.00 1.91 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 0.00 2.41 2.43 0.00 90 C 8.04 4.06 0.00 3.12 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 91 D 8.03 3.51 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 3.66 0.00 1.65 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 93 A 7.92 3.84 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 94 A 7.47 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.94 3.75 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 96 T 8.03 3.71 4.47 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 1.16 0.00 0.00 97 C 8.24 4.34 0.00 2.94 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 98 F 7.73 4.38 0.00 2.91 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 99 A 8.00 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 3.94 0.00 1.82 2.06 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 101 N 7.71 4.90 0.00 2.95 2.87 0.00 0.00 6.75 7.56 0.00 0.00 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 K 8.21 4.20 0.00 2.07 1.82 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 103 T 7.83 3.84 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 0.00 104 T 7.22 3.96 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 1.31 0.00 0.00 105 Y 7.93 3.96 0.00 3.00 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 0.00 106 N 9.06 5.05 0.00 2.69 2.50 0.00 0.00 6.81 6.01 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 0.00 107 K 8.69 4.06 0.00 1.84 1.86 0.00 1.86 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.91 1.57 7.81 108 K 7.48 3.99 0.00 1.57 1.04 0.00 1.31 0.00 0.00 0.82 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.86 1.17 7.81 109 Y 6.89 4.15 0.00 2.26 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 0.00 0.00 0.00 110 Q 7.93 3.71 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 1.77 2.43 0.00 111 Y 7.53 4.98 0.00 2.96 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 0.00 112 Y 8.15 4.15 0.00 2.91 3.05 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 0.00 0.00 0.00 113 S 7.94 4.39 0.00 3.64 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 0.00 114 N 8.84 4.32 0.00 2.81 2.88 0.00 0.00 6.66 7.68 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 0.00 115 K 7.59 3.89 0.00 1.51 1.57 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.37 7.81 116 H 7.37 4.70 0.00 3.13 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 C 8.50 4.66 0.00 2.96 3.20 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 0.00 118 R 8.63 4.68 0.00 1.88 1.83 0.00 3.15 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 119 G 8.27 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 0.00 0.00 0.00 120 S 8.47 4.24 0.00 4.00 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 0.00 121 T 7.86 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 1.30 0.00 0.00 122 P 0.00 3.99 0.00 1.98 1.85 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 123 R 8.68 4.21 0.00 1.84 2.08 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 124 C 8.63 4.45 0.00 2.99 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