NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6327 8.1693 122.7550 55.0792 43.2141 175.6068 3 I 4.5838 8.6794 119.1832 58.6904 41.4541 172.7215 4 S 5.1039 9.3380 120.6062 57.9844 64.2971 175.3128 5 V 4.7147 8.8825 116.8141 59.0391 36.3239 174.6271 6 L 4.1978 8.7403 125.2230 55.3899 42.0100 176.4189 7 K 4.5254 9.1300 125.4526 57.8990 35.3314 176.2615 8 S 5.1126 7.5358 114.4391 56.8862 68.0029 173.4948 9 K 4.7860 8.9302 123.6293 55.1496 35.8266 174.6498 10 I 4.7512 8.9183 128.9886 59.9800 39.0793 174.7082 11 S 4.6035 9.0041 123.9073 57.1156 65.4825 174.0957 12 Y 3.7464 8.5698 119.4715 59.1160 34.9249 169.8905 13 A 4.2961 8.2299 122.2153 52.1924 19.7668 177.7367 14 T 4.8353 8.4372 120.0619 61.9963 70.0964 175.1533 15 V 3.9246 8.8892 128.0274 63.7867 31.8932 176.2467 16 T 4.3656 9.0321 118.1933 62.3527 70.6100 174.3634 17 G 4.3397 7.8091 107.7061 45.5843 0.0000 172.1534 18 K 5.3527 8.2841 118.1101 55.8485 35.7815 175.6207 19 D 4.4472 8.5571 122.1503 52.8914 43.2348 174.8750 20 L 3.8959 8.6048 128.8710 57.1806 42.8383 178.1089 21 F 4.9721 6.9084 115.9673 57.0036 39.8221 176.0310 22 Y 4.2849 8.0192 130.5228 58.7751 38.1536 178.7788 *25 S 4.3558 8.8412 119.4332 58.4557 65.1331 172.6808 26 I 4.7128 7.7338 116.7239 61.0394 40.3187 174.3262 27 T 4.9277 8.7564 126.7864 62.4978 70.3715 173.8949 28 I 4.9846 8.3813 126.4031 59.4598 41.2130 173.9743 29 D 4.7228 8.9455 126.0120 54.2148 41.1801 178.0669 30 S 4.2146 8.7785 121.6444 61.2714 63.5465 175.7358 31 E 4.1345 8.8148 121.3084 59.4232 29.4977 179.9101 32 I 4.0571 7.6296 119.2708 61.3223 36.6094 178.3351 *34 K 4.2452 8.2444 121.4267 56.6709 33.8249 178.3956 35 Q 3.9286 8.1513 116.2577 58.5882 28.6251 177.3824 36 A 4.3452 7.8929 117.8321 51.2976 19.3252 176.3098 37 N 4.1892 7.6752 112.3809 54.3949 36.7802 174.2836 38 I 4.5876 7.7633 117.1832 59.4744 39.6145 175.7714 39 I 4.4045 8.5197 118.5595 58.4654 39.6354 174.6939 40 E 4.0567 8.5181 121.8997 58.2976 29.5803 176.9155 41 N 4.6342 9.3276 122.3263 53.3357 37.3808 174.0744 42 E 4.2208 7.9837 120.7258 55.7902 30.9644 175.8021 43 K 4.7784 8.6308 127.7782 56.6533 33.1702 176.2941 44 V 4.7487 9.0570 119.7454 59.6356 36.5632 174.1079 45 Q 4.7932 9.0544 125.2890 55.4916 30.6512 174.5268 46 V 4.8205 9.0805 126.6311 61.2120 34.2281 174.4716 47 V 4.9363 8.8521 121.0551 59.4638 35.3977 174.0410 48 N 5.1025 8.5263 123.0839 51.7484 40.4335 175.2710 49 L 3.7983 8.7978 127.4829 57.8437 41.8524 178.8529 50 N 4.4398 8.6336 116.4339 55.6381 38.5479 175.7297 51 N 4.7315 8.1993 110.9348 51.7210 38.3642 175.3515 52 G 3.8863 8.3499 107.1437 45.6042 0.0000 173.9228 53 E 4.1848 8.4234 120.2111 56.5252 30.7627 176.2577 54 R 5.2038 8.3953 121.3065 54.4208 33.6408 174.4704 55 L 4.7739 8.9690 122.8256 54.5707 44.6258 174.3061 56 E 5.1904 8.5410 118.3698 55.3125 32.5353 175.4395 57 T 4.6700 8.6508 116.8813 61.7687 71.4867 171.2172 58 Y 5.2983 8.2131 118.7075 55.2952 41.6681 174.4953 59 V 4.6611 8.3661 119.8625 61.7838 33.5769 174.6008 60 I 4.9160 8.5612 128.1566 59.1697 40.2645 175.0982 61 K 4.3928 8.8161 125.7443 56.5501 32.7436 177.0271 62 G 4.1354 8.9382 112.5509 44.3116 0.0000 172.6724 63 E 4.6142 8.6099 119.6223 55.3870 30.6266 175.3879 64 P 4.5604 0.0000 0.0000 64.2431 31.8193 175.8592 65 N 4.3156 9.1862 117.2778 54.0663 36.1040 175.3653 66 S 4.1887 7.9820 113.6101 59.0640 63.3998 174.8795 67 K 3.8702 8.7251 118.9524 57.3289 30.2136 175.1144 68 T 4.0081 7.8347 116.6651 64.0125 69.5853 173.5775 69 I 4.9666 8.9877 126.4776 59.5776 40.8047 174.0761 70 A 5.6533 8.8262 128.6497 48.8683 22.7356 174.3035 71 L 4.8734 8.4440 121.7016 53.2816 43.6918 175.5297 72 N 5.1690 8.7712 121.3062 52.1883 41.9827 176.6038 73 G 4.3198 8.7080 108.1505 45.0661 0.0000 173.0682 74 P 4.1450 0.0000 0.0000 65.4183 31.7861 178.3016 75 A 3.9658 8.0644 119.5253 54.9669 17.5528 179.0258 76 A 3.8632 8.0706 119.4322 55.5322 18.1297 179.5811 77 R 4.0732 7.8285 114.5146 57.8890 30.1017 177.5302 78 R 4.5113 7.6200 117.2983 55.6271 30.4278 174.8640 79 C 4.8141 7.4540 111.6002 57.3432 32.9551 172.5646 80 E 4.7610 9.0749 118.2186 53.9634 32.9418 175.7129 81 I 3.9167 8.1735 121.4859 63.3526 37.5080 176.7726 82 G 4.0210 8.9528 113.7667 45.1427 0.0000 173.7276 83 D 4.5581 7.9478 119.7455 54.6511 42.3386 175.2784 84 Q 5.0592 8.5581 120.0395 54.5352 31.0812 174.6561 85 L 5.1819 9.0278 123.4118 52.9541 45.6554 175.2509 86 F 5.5727 8.8026 120.0899 55.9593 42.0025 174.7819 87 I 4.9447 8.8956 123.5011 59.6284 40.3518 174.4959 88 I 4.9866 8.9063 128.1335 59.2704 40.6659 174.7706 89 S 4.9472 8.8084 120.6361 56.7085 66.0287 172.6439 90 Y 5.2308 8.6174 118.7184 56.6445 41.1519 174.7216 91 T 4.8543 9.0759 115.2896 60.4340 71.4117 172.2986 92 Q 5.0922 8.6913 125.3489 55.1644 30.2496 175.0225 93 V 4.5823 8.7576 115.8309 59.5342 37.3956 173.6933 94 D 4.6902 8.5884 121.8520 53.2835 41.4088 175.3342 95 P 4.4879 0.0000 0.0000 65.0918 31.7451 177.3488 96 T 4.1599 8.0699 108.9324 63.5249 69.3838 175.5876 97 R 4.0839 7.5569 121.2262 55.8892 30.6814 176.6417 98 E 3.9796 8.6577 114.8909 56.4917 29.9363 177.4635 99 N 4.5308 8.5593 120.7461 52.4433 39.2718 174.8597 100 I 3.8628 8.1797 123.4890 60.7248 37.7044 175.5252 101 K 4.2607 8.5046 127.6880 54.3050 32.0338 174.2798 102 P 4.6010 0.0000 0.0000 63.3821 32.4141 176.7171 103 K 4.3210 8.8327 126.3878 54.7542 32.7991 174.9350 104 L 5.0368 8.4752 125.7445 51.8825 44.1461 176.2215 105 V 4.2452 8.8144 123.7502 61.1885 34.2099 173.5891 106 D 5.1449 8.7658 128.4602 52.8986 42.0062 175.6328 107 L 4.5436 8.9874 125.9583 54.3846 42.6036 177.0093 108 K 4.0839 8.3317 126.2076 56.6207 32.0381 176.3053 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 2 L 8.17 4.63 0.00 1.65 1.65 0.92 0.65 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 3 I 8.68 4.58 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 0.91 0.00 0.00 4 S 9.34 5.10 0.00 3.66 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 5 V 8.88 4.71 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 0.76 0.00 0.00 1.04 0.00 0.00 6 L 8.74 4.20 0.00 1.62 1.56 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.13 4.53 0.00 1.80 2.00 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.33 7.81 8 S 7.54 5.11 0.00 3.74 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 K 8.93 4.79 0.00 1.61 1.43 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.02 1.21 7.81 10 I 8.92 4.75 1.84 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 1.20 0.56 0.91 0.00 0.00 11 S 9.00 4.60 0.00 3.60 3.22 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 12 Y 8.57 3.75 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.30 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 14 T 8.44 4.84 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 1.28 0.00 0.00 15 V 8.89 3.92 2.19 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 1.09 0.00 0.00 0.96 0.00 0.00 16 T 9.03 4.37 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 1.33 0.00 0.00 17 G 7.81 4.34 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 0.00 18 K 8.28 5.35 0.00 1.68 1.70 0.00 1.12 0.00 0.00 2.27 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.27 7.81 19 D 8.56 4.45 0.00 2.80 2.65 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 20 L 8.60 3.90 0.00 1.43 0.66 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 21 F 6.91 4.97 0.00 3.18 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 22 Y 8.02 4.28 0.00 2.89 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 *25 S 8.84 4.36 0.00 3.49 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 26 I 7.73 4.71 1.75 0.00 0.00 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 1.15 1.21 0.81 0.00 0.00 27 T 8.76 4.93 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 1.27 0.00 0.00 28 I 8.38 4.98 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.90 0.00 0.00 29 D 8.95 4.72 0.00 2.82 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 30 S 8.78 4.21 0.00 4.04 4.05 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 31 E 8.81 4.13 0.00 2.15 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 2.33 2.43 0.00 32 I 7.63 4.06 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.91 0.00 0.00 *34 K 8.24 4.25 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.67 7.81 35 Q 8.15 3.93 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 36 A 7.89 4.35 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 37 N 7.68 4.19 0.00 2.86 2.88 0.00 0.00 6.79 7.57 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 38 I 7.76 4.59 1.86 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 1.45 0.72 0.91 0.00 0.00 39 I 8.52 4.40 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.92 0.00 0.00 40 E 8.52 4.06 0.00 1.98 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 2.36 2.42 0.00 41 N 9.33 4.63 0.00 2.93 2.95 0.00 0.00 6.99 7.23 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 42 E 7.98 4.22 0.00 2.16 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 2.33 2.29 0.00 43 K 8.63 4.78 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 9.06 4.75 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 0.67 0.00 0.00 0.92 0.00 0.00 45 Q 9.05 4.79 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 V 9.08 4.82 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 0.90 0.00 0.00 0.90 0.00 0.00 47 V 8.85 4.94 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 0.66 0.00 0.00 0.99 0.00 0.00 48 N 8.53 5.10 0.00 2.69 2.68 0.00 0.00 7.07 6.80 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 49 L 8.80 3.80 0.00 1.52 1.60 0.63 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.63 4.44 0.00 2.84 2.84 0.00 0.00 6.82 7.54 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 51 N 8.20 4.73 0.00 2.74 2.85 0.00 0.00 6.04 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 52 G 8.35 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 53 E 8.42 4.18 0.00 1.94 1.85 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 2.40 2.57 0.00 54 R 8.40 5.20 0.00 1.63 1.79 0.00 3.18 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 55 L 8.97 4.77 0.00 1.70 1.70 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.54 5.19 0.00 1.85 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 0.00 2.24 2.29 0.00 57 T 8.65 4.67 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 1.10 0.00 0.00 58 Y 8.21 5.30 0.00 3.18 3.03 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 59 V 8.37 4.66 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 1.01 0.00 0.00 0.93 0.00 0.00 60 I 8.56 4.92 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.99 0.00 0.00 61 K 8.82 4.39 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 G 8.94 4.14 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 0.00 0.00 0.00 63 E 8.61 4.61 0.00 1.92 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 0.00 2.42 2.28 0.00 64 P 0.00 4.56 0.00 2.18 2.07 0.00 3.91 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 2.00 0.00 65 N 9.19 4.32 0.00 2.90 2.97 0.00 0.00 7.07 7.57 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 66 S 7.98 4.19 0.00 4.02 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 67 K 8.73 3.87 0.00 1.90 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 68 T 7.83 4.01 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 1.21 0.00 0.00 69 I 8.99 4.97 2.08 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 1.34 0.94 0.90 0.00 0.00 70 A 8.83 5.65 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.87 0.00 1.54 1.51 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.77 5.17 0.00 2.01 2.38 0.00 0.00 7.06 7.31 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 73 G 8.71 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 0.00 0.00 0.00 0.00 74 P 0.00 4.14 0.00 2.16 2.09 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 75 A 8.06 3.97 1.27 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 76 A 8.07 3.86 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 77 R 7.83 4.07 0.00 1.91 1.96 0.00 3.09 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 78 R 7.62 4.51 0.00 1.84 1.88 0.00 3.51 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 79 C 7.45 4.81 0.00 3.02 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 80 E 9.07 4.76 0.00 1.94 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 2.19 2.38 0.00 81 I 8.17 3.92 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.46 0.96 0.00 0.00 82 G 8.95 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 83 D 7.95 4.56 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 84 Q 8.56 5.06 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 85 L 9.03 5.18 0.00 1.53 1.51 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.80 5.57 0.00 2.78 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 87 I 8.90 4.94 1.85 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 1.22 0.69 0.89 0.00 0.00 88 I 8.91 4.99 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.27 0.00 0.00 89 S 8.81 4.95 0.00 3.93 3.86 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 90 Y 8.62 5.23 0.00 2.86 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 91 T 9.08 4.85 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 1.24 0.00 0.00 92 Q 8.69 5.09 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 93 V 8.76 4.58 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 0.68 0.00 0.00 1.00 0.00 0.00 94 D 8.59 4.69 0.00 2.68 2.54 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 95 P 0.00 4.49 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 96 T 8.07 4.16 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 97 R 7.56 4.08 0.00 2.05 1.92 0.00 3.19 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 98 E 8.66 3.98 0.00 1.98 1.78 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 2.24 1.93 0.00 99 N 8.56 4.53 0.00 2.69 2.78 0.00 0.00 7.09 7.45 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 0.00 100 I 8.18 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.91 0.00 0.00 101 K 8.50 4.26 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 102 P 0.00 4.60 0.00 2.05 2.15 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 103 K 8.83 4.32 0.00 1.48 1.75 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.29 7.81 104 L 8.48 5.04 0.00 1.45 1.53 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.81 4.25 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 0.90 0.00 0.00 0.90 0.00 0.00 106 D 8.77 5.14 0.00 2.72 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 0.00 107 L 8.99 4.54 0.00 1.92 1.73 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.33 4.08 0.00 1.32 1.47 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.27 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.