NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3760 8.3349 116.7331 57.7321 65.1228 173.0392 3 F 4.4111 8.3512 119.4296 53.4166 41.7861 172.6919 4 R 5.0814 8.6367 119.4414 54.4467 32.5413 175.0053 5 F 5.0024 9.4617 124.7560 56.6692 40.5952 176.3335 6 G 3.8259 8.3785 120.3870 46.2359 0.0000 172.9907 7 Q 4.0690 8.6460 120.9063 58.8752 28.9131 176.5665 8 H 4.4469 7.6645 115.5694 55.3012 29.4717 173.4017 9 L 5.0781 8.4398 124.8285 53.5777 43.8463 175.3163 10 I 4.6878 9.1123 127.2245 59.3467 40.2154 174.9337 11 K 4.5246 8.8009 125.9634 55.8086 32.3202 175.1656 12 P 4.6017 0.0000 0.0000 66.0033 31.9387 176.9095 13 S 4.4238 7.8602 112.1577 55.6138 61.5571 172.2853 14 V 4.1920 7.0154 129.0174 63.8642 35.0982 171.4047 15 V 4.0559 8.2462 121.2519 62.2627 31.2733 174.9952 16 F 4.9892 7.6221 121.6803 55.9371 38.7819 175.3201 17 L 4.2714 7.0260 117.9907 54.9015 45.0423 173.0663 18 K 4.8725 8.5977 126.9753 55.8123 33.5086 175.3933 19 T 4.5051 9.0764 120.0454 59.7666 71.2154 174.7044 20 E 4.1843 8.8150 121.0350 59.3690 29.6668 177.3713 21 L 4.9508 7.8883 112.1120 54.0431 44.8729 176.2222 22 S 5.3852 8.5143 114.9357 57.0116 67.8241 172.6628 23 F 5.2454 8.8446 114.4162 55.7558 41.4250 173.0896 24 A 4.7193 8.3137 121.7226 50.0090 22.4610 175.0355 25 L 4.8033 7.7429 118.3508 54.0982 44.4207 175.3383 26 V 4.2602 8.0805 120.0578 62.5040 32.2919 175.3713 27 N 4.6115 8.1831 125.9745 52.8750 39.7912 175.0412 28 R 4.5911 8.2918 120.4413 54.8869 30.7658 176.5059 29 K 5.1510 7.3844 124.1407 57.3960 33.6749 172.0439 30 P 4.1866 0.0000 0.0000 62.7533 32.5441 177.5301 31 V 3.7408 7.8345 120.4173 65.0358 32.0750 176.7637 32 V 4.4595 7.1420 111.2959 58.1632 35.4150 172.7741 33 P 3.9950 0.0000 0.0000 64.9137 31.0746 176.3836 34 G 2.3662 8.0372 109.3028 45.0012 0.0000 172.7895 35 H 4.4145 7.6111 120.1836 55.9851 29.9560 174.6605 36 V 4.8360 8.2403 119.1205 59.1789 35.6822 174.7903 37 L 5.0234 8.2640 120.9640 54.2012 43.8164 175.3915 38 V 4.4883 8.2112 122.8091 61.3484 33.8369 174.1368 39 C 4.9331 8.1392 121.0679 55.9149 33.1960 171.8292 40 P 4.8548 0.0000 0.0000 62.5343 31.8380 176.5386 41 L 4.4195 9.0345 121.3765 57.9553 41.7663 178.4395 42 R 4.1011 7.9328 118.6295 55.4217 30.9909 175.3760 43 P 4.3644 0.0000 0.0000 62.3909 30.4066 176.3352 44 V 3.9049 7.2254 112.5537 61.9809 32.8350 176.9976 45 E 4.5077 8.5259 120.5909 56.2408 31.2386 176.1530 46 R 4.8007 7.4526 116.8220 54.0514 34.2938 175.4102 47 F 4.5092 9.7538 125.2672 61.9330 39.3953 177.1468 48 H 4.2789 7.9874 113.9349 57.8041 28.6484 175.8250 49 D 4.5527 8.2833 119.3018 55.6006 40.9802 176.6329 50 L 4.4201 7.4435 119.7039 54.2386 42.4662 177.7814 51 R 4.2405 8.4937 121.3617 55.1514 32.1406 176.3747 52 P 4.2743 0.0000 0.0000 65.8192 31.2026 178.8302 53 D 4.3970 8.0262 117.5798 56.5289 39.4165 178.2604 54 E 4.0046 8.2032 119.6228 59.0056 29.4722 179.3747 55 V 3.8267 8.0006 118.0194 66.1854 31.5770 178.0151 56 A 4.1194 8.1257 120.5123 55.1761 18.1450 179.1232 57 D 4.3093 8.6185 117.1220 57.0621 41.3057 178.1191 58 L 3.7829 8.2805 121.2432 58.3667 41.9961 178.9241 59 F 4.1466 8.0903 115.0857 59.2619 39.2003 177.7955 60 Q 4.1689 7.9433 118.4954 59.4318 28.6677 178.3396 61 T 3.9605 7.8450 116.6469 67.1458 68.5472 176.7139 62 T 3.9604 7.8325 117.4297 66.0332 68.3821 176.8088 63 Q 4.0175 8.4370 122.3653 59.5337 29.1844 177.9357 64 R 4.0262 8.1326 118.6002 59.3761 30.2842 178.6828 65 V 4.1174 8.4429 117.9127 66.4897 31.4257 178.7016 66 G 3.6528 8.1732 104.7282 48.0952 0.0000 175.6487 67 T 3.8830 8.0346 118.8270 66.2777 68.5564 176.5061 68 V 3.1819 7.7200 119.7905 66.2706 31.1143 178.4235 69 V 3.8643 7.6658 110.6737 63.3806 31.3484 178.1393 70 E 3.9864 7.8461 119.6608 59.1403 29.4942 178.0263 71 K 3.8585 7.9699 119.9686 59.5617 32.0713 178.0744 72 H 3.7358 7.8700 119.4841 58.5085 29.8842 176.0964 73 F 4.6477 7.6148 115.2052 56.6546 39.1605 175.1124 74 H 4.0494 7.6187 116.0425 56.6121 26.7470 175.2822 75 G 4.0029 7.8245 106.9192 45.1196 0.0000 174.6480 76 T 4.2173 8.7890 112.8830 64.0919 70.4474 174.0943 77 S 5.3236 7.5754 116.0370 57.7434 67.7747 172.5212 78 L 5.1944 8.3827 119.0165 53.6754 45.9135 176.7248 79 T 4.6196 8.2548 116.1532 62.1798 72.1575 173.2302 80 F 5.6505 8.8732 124.7500 55.4468 41.8569 175.4651 81 S 4.5671 8.3900 114.4371 57.7089 65.8009 172.6631 82 M 4.8144 8.7866 127.0145 53.8828 34.3460 175.0493 83 Q 4.2432 8.6119 125.6005 54.5429 28.4761 174.8753 84 D 4.4262 8.4059 123.7552 53.6131 39.8929 177.1091 85 G 4.0523 8.8127 110.8156 44.2772 0.0000 169.2657 86 P 4.2338 0.0000 0.0000 63.2008 31.8621 178.1520 87 E 3.9193 8.7183 116.8046 57.3346 28.4805 176.0273 88 A 4.2199 8.9988 121.1457 54.5193 19.2036 176.9557 89 G 3.3959 8.2664 105.9762 44.8634 0.0000 173.4196 90 Q 4.0834 7.3245 122.2499 56.8041 29.4686 174.6452 91 T 4.4366 8.3612 118.2664 64.8210 71.0938 174.4889 92 V 3.9047 7.4878 119.7431 60.7853 32.8571 177.3267 93 K 4.2844 8.1563 125.0849 54.8022 30.4478 175.2327 94 H 5.5171 7.4685 117.4659 54.1112 33.3578 172.9109 95 V 3.8233 8.5262 127.0199 63.8124 31.7892 174.7740 96 H 5.0402 8.3125 122.5472 54.0898 31.7328 172.7982 97 V 3.9777 8.8238 123.0939 62.4858 33.0578 174.3676 98 H 4.9979 8.9946 125.4948 54.9586 30.6723 174.3274 99 V 4.4204 8.5930 122.8324 60.8919 34.4186 174.0786 100 L 4.6761 8.2201 127.3739 52.1553 44.7009 174.1659 101 P 4.6576 0.0000 0.0000 62.3426 32.2012 176.1245 102 R 4.7955 9.6295 124.4594 54.4312 33.1570 175.4441 103 K 4.9247 8.5904 122.0239 53.2563 35.3885 175.5617 104 A 4.0108 8.8607 123.9565 52.7757 19.2534 177.9494 105 G 3.8289 7.8878 106.8180 46.9554 0.0000 174.7782 106 D 4.6006 8.0316 121.6874 52.5263 42.0469 179.7218 *107 F 3.3615 8.5198 120.3644 58.2138 36.6868 182.7965 *129 W 4.8115 8.5730 120.3938 57.0839 30.5025 176.7736 130 R 4.7787 7.9780 111.8464 55.1934 33.6568 175.9860 131 S 4.3227 8.5018 115.9631 58.6037 64.6098 174.9034 132 E 4.3311 8.5883 122.0868 57.2812 29.5931 177.6096 133 E 4.5454 7.9686 120.3287 56.5592 31.5128 177.2815 134 E 4.1090 7.6003 119.1649 59.0685 29.8888 178.2278 135 M 4.0382 8.6556 118.8197 58.5615 32.2817 178.6964 136 A 4.1135 8.1128 119.6396 54.6521 18.3489 179.3450 137 A 3.9307 7.5019 118.7718 55.3380 18.6061 179.2525 138 E 3.8441 8.4299 117.3625 59.4746 29.4112 178.9307 139 A 4.0357 8.0846 120.6421 54.9137 18.4364 179.0987 140 A 3.7797 7.8887 117.7519 55.3302 18.4213 179.3959 141 A 4.1054 8.3259 119.3002 55.5110 18.4278 179.9597 142 L 3.9330 7.5938 117.3198 57.7940 41.5128 179.4409 143 R 4.2099 8.9856 119.5115 59.7233 29.9311 178.6002 144 V 3.5899 7.6483 117.7838 66.0589 31.2295 177.4193 145 Y 4.1004 8.2157 115.4093 59.9396 37.8407 176.4425 146 F 4.6087 7.6069 117.0258 57.8643 39.8404 175.8860 147 Q 4.2167 7.5350 123.2473 56.3034 28.3987 177.1247 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 S 8.33 4.38 0.00 3.44 3.55 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 0.00 0.00 0.00 0.00 3 F 8.35 4.41 0.00 2.97 2.17 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 4 R 8.64 5.08 0.00 1.97 1.93 0.00 3.00 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 5 F 9.46 5.00 0.00 2.96 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 6 G 8.38 3.83 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 0.00 0.00 0.00 7 Q 8.65 4.07 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 8 H 7.66 4.45 0.00 3.33 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.44 5.08 0.00 1.68 1.59 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.11 4.69 2.05 0.00 0.00 1.00 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 1.06 0.98 0.00 0.00 11 K 8.80 4.52 0.00 1.69 1.80 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 12 P 0.00 4.60 0.00 2.27 2.33 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 13 S 7.86 4.42 0.00 4.02 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 14 V 7.02 4.19 2.34 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 0.88 0.00 0.00 0.97 0.00 0.00 15 V 8.25 4.06 1.87 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 0.27 0.00 0.00 0.40 0.00 0.00 16 F 7.62 4.99 0.00 3.09 3.14 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 17 L 7.03 4.27 0.00 1.16 0.91 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.60 4.87 0.00 1.73 1.68 0.00 2.14 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.69 7.81 19 T 9.08 4.51 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 1.16 0.00 0.00 20 E 8.81 4.18 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 2.37 0.00 21 L 7.89 4.95 0.00 1.59 1.64 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.51 5.39 0.00 3.67 3.64 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 23 F 8.84 5.25 0.00 2.76 2.92 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 24 A 8.31 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.74 4.80 0.00 1.57 1.52 0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.08 4.26 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 0.82 0.00 0.00 1.12 0.00 0.00 27 N 8.18 4.61 0.00 2.94 2.67 0.00 0.00 7.07 7.53 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 28 R 8.29 4.59 0.00 1.94 1.97 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 29 K 7.38 5.15 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.14 7.81 30 P 0.00 4.19 0.00 2.21 1.95 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 31 V 7.83 3.74 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 0.76 0.00 0.00 0.81 0.00 0.00 32 V 7.14 4.46 2.01 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 0.95 0.00 0.00 0.85 0.00 0.00 33 P 0.00 4.00 0.00 2.17 2.09 0.00 3.71 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 1.94 2.00 0.00 34 G 8.04 2.37 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 0.00 35 H 7.61 4.41 0.00 3.26 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.24 4.84 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 0.75 0.00 0.00 1.01 0.00 0.00 37 L 8.26 5.02 0.00 1.50 1.65 0.27 0.67 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 38 V 8.21 4.49 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 0.62 0.00 0.00 0.78 0.00 0.00 39 C 8.14 4.93 0.00 2.89 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 40 P 0.00 4.85 0.00 2.30 2.17 0.00 4.11 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 2.27 2.08 0.00 41 L 9.03 4.42 0.00 1.81 1.88 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.93 4.10 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 43 P 0.00 4.36 0.00 2.21 2.15 0.00 3.85 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 1.99 2.01 0.00 44 V 7.23 3.90 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 0.69 0.00 0.00 0.95 0.00 0.00 45 E 8.53 4.51 0.00 1.87 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 2.17 2.26 0.00 46 R 7.45 4.80 0.00 1.56 1.53 0.00 3.37 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 47 F 9.75 4.51 0.00 3.08 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 48 H 7.99 4.28 0.00 3.23 3.38 0.00 5.58 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 49 D 8.28 4.55 0.00 2.76 2.76 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 50 L 7.44 4.42 0.00 1.81 1.65 1.26 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.49 4.24 0.00 2.08 1.86 0.00 3.14 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 52 P 0.00 4.27 0.00 2.15 2.08 0.00 3.59 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 2.10 2.11 0.00 53 D 8.03 4.40 0.00 2.89 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 54 E 8.20 4.00 0.00 2.23 2.11 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 2.44 2.41 0.00 55 V 8.00 3.83 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 1.22 0.00 0.00 0.98 0.00 0.00 56 A 8.13 4.12 1.42 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 57 D 8.62 4.31 0.00 2.98 2.70 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 58 L 8.28 3.78 0.00 1.87 1.96 0.64 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.09 4.15 0.00 3.12 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 60 Q 7.94 4.17 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 61 T 7.85 3.96 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 1.06 0.00 0.00 62 T 7.83 3.96 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 1.37 0.00 0.00 63 Q 8.44 4.02 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 64 R 8.13 4.03 0.00 2.17 2.24 0.00 3.28 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 65 V 8.44 4.12 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 1.26 0.00 0.00 0.93 0.00 0.00 66 G 8.17 3.65 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 67 T 8.03 3.88 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 68 V 7.72 3.18 2.21 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 0.43 0.00 0.00 0.45 0.00 0.00 69 V 7.67 3.86 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 0.77 0.00 0.00 1.00 0.00 0.00 70 E 7.85 3.99 0.00 2.18 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 0.00 2.45 2.30 0.00 71 K 7.97 3.86 0.00 1.77 1.64 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 72 H 7.87 3.74 0.00 2.48 2.76 0.00 5.96 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.61 4.65 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.62 4.05 0.00 3.24 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.82 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 76 T 8.79 4.22 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 1.22 0.00 0.00 77 S 7.58 5.32 0.00 3.76 3.80 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 78 L 8.38 5.19 0.00 1.46 1.03 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.25 4.62 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 1.22 0.00 0.00 80 F 8.87 5.65 0.00 2.89 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 81 S 8.39 4.57 0.00 3.91 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 82 M 8.79 4.81 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 83 Q 8.61 4.24 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 84 D 8.41 4.43 0.00 2.62 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 85 G 8.81 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 0.00 0.00 0.00 86 P 0.00 4.23 0.00 2.19 2.01 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 87 E 8.72 3.92 0.00 2.12 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 0.00 2.20 2.36 0.00 88 A 9.00 4.22 1.35 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 0.00 0.00 0.00 89 G 8.27 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 0.00 0.00 0.00 90 Q 7.32 4.08 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 91 T 8.36 4.44 4.28 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 1.23 0.00 0.00 92 V 7.49 3.90 1.86 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 0.44 0.00 0.00 0.18 0.00 0.00 93 K 8.16 4.28 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 94 H 7.47 5.52 0.00 2.94 3.05 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.53 3.82 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 0.85 0.00 0.00 1.02 0.00 0.00 96 H 8.31 5.04 0.00 3.07 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.82 3.98 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 1.01 0.00 0.00 0.38 0.00 0.00 98 H 8.99 5.00 0.00 3.30 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.59 4.42 1.93 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 0.61 0.00 0.00 0.91 0.00 0.00 100 L 8.22 4.68 0.00 1.64 1.42 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.66 0.00 1.89 2.11 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 102 R 9.63 4.80 0.00 1.65 1.77 0.00 3.18 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 103 K 8.59 4.92 0.00 1.56 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.22 7.81 104 A 8.86 4.01 1.24 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 0.00 0.00 0.00 105 G 7.89 3.83 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 0.00 0.00 0.00 106 D 8.03 4.60 0.00 2.78 2.88 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 *107 F 8.52 3.36 0.00 2.46 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 0.00 0.00 0.00 *129 W 8.57 4.81 0.00 2.54 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 0.00 0.00 0.00 130 R 7.98 4.78 0.00 1.74 1.97 0.00 3.24 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 131 S 8.50 4.32 0.00 4.05 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 0.00 132 E 8.59 4.33 0.00 1.98 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 2.32 0.00 133 E 7.97 4.55 0.00 2.00 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 2.27 2.33 0.00 134 E 7.60 4.11 0.00 1.99 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 0.00 2.32 2.36 0.00 135 M 8.66 4.04 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 136 A 8.11 4.11 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 0.00 137 A 7.50 3.93 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 0.00 138 E 8.43 3.84 0.00 2.11 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 0.00 2.40 2.52 0.00 139 A 8.08 4.04 1.53 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 0.00 0.00 140 A 7.89 3.78 1.36 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 0.00 0.00 141 A 8.33 4.11 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 0.00 142 L 7.59 3.93 0.00 1.47 1.27 0.07 0.83 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 0.00 143 R 8.99 4.21 0.00 2.20 2.11 0.00 3.19 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 144 V 7.65 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 0.69 0.00 0.00 0.93 0.00 0.00 145 Y 8.22 4.10 0.00 2.35 2.55 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 0.00 0.00 0.00 0.00 146 F 7.61 4.61 0.00 3.13 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 0.00 147 Q 7.54 4.22 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 * Residues marked with a * may have inaccurate shift predictions.