NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7996 8.3393 109.7370 45.3589 0.0000 173.3849 *2 Q 4.6160 7.7638 118.7265 55.3133 30.1710 174.8444 3 T 4.6699 7.9634 108.7114 59.1870 73.2621 174.7028 4 L 3.6096 8.2591 120.2446 57.9991 41.3791 179.4961 5 N 4.3553 8.0647 115.7285 56.4979 38.5820 176.9864 6 D 4.3663 7.7922 119.3554 57.4088 40.8744 178.7651 7 I 3.8461 7.7090 120.3204 64.6290 37.0745 177.8462 8 Y 4.1896 8.3374 120.4895 60.9033 38.7076 178.1700 9 L 3.8063 8.2259 119.6493 57.5416 41.6489 179.3999 10 A 3.9501 8.0571 121.0201 55.0266 18.3061 179.0210 11 Y 2.5531 7.5525 118.1670 60.4112 38.7346 178.3916 12 L 3.3403 7.4783 119.8980 57.4639 41.6816 179.1841 13 D 4.3071 7.9380 119.1450 57.3959 40.7204 179.0293 14 S 4.1386 7.8419 114.6699 61.3818 62.9048 176.5017 15 L 4.0367 7.5975 122.5371 57.7343 41.1007 179.3234 16 N 4.5803 8.2156 115.2354 55.9364 38.4859 176.1601 17 H 4.5282 7.7451 114.7915 54.3545 29.2602 174.8143 18 Q 2.5200 7.4639 118.4407 56.4430 26.7189 175.1090 19 A 4.1878 7.5244 120.5850 51.0986 17.4016 178.8350 20 F 4.9018 7.3441 119.4482 58.2781 40.1472 178.1421 21 D 4.4763 8.1193 120.1460 57.0919 40.9094 177.5157 22 E 4.3004 8.0319 116.6096 56.8756 29.6009 178.0829 23 L 4.3615 7.8874 121.8324 58.3201 41.9779 178.8271 24 G 3.7402 8.0882 103.3120 46.8680 0.0000 175.0588 25 T 3.7950 7.8393 117.7625 65.7615 68.6299 174.8848 26 F 4.8858 8.2327 117.8748 57.0394 40.8219 175.3199 27 V 4.4613 7.3879 120.1825 60.2453 33.8704 174.2796 28 D 4.4024 8.6490 126.9189 54.1553 41.9718 176.7781 29 D 4.4229 8.7671 123.7866 57.0710 40.9819 177.3943 30 N 5.2989 8.4308 115.8827 52.4157 39.4132 175.9371 31 V 3.9074 7.5604 118.5742 62.6441 32.6602 174.5520 32 E 5.0353 8.9218 122.3634 54.7624 32.6138 174.3380 33 H 4.8397 7.9602 123.0692 54.6791 32.8065 173.3738 34 N 3.9614 9.1550 124.9251 54.3559 36.5461 175.4605 35 G 3.7629 7.7324 103.1151 45.6779 0.0000 173.7140 36 R 4.1071 7.5434 120.7847 54.3917 30.6036 175.2048 37 P 4.6855 0.0000 0.0000 61.3635 30.0428 175.8931 38 F 4.6305 7.8273 114.6492 56.4366 39.3624 177.8927 39 G 4.1393 8.4870 112.7183 44.7642 0.0000 174.2683 40 L 3.9354 8.4792 119.5927 58.4627 41.7574 179.2917 41 S 4.1995 8.0933 113.6437 61.2835 62.9376 176.4968 42 G 3.0868 7.5452 108.7169 47.3304 0.0000 174.8484 43 Y 3.5913 7.5291 121.0295 60.2359 39.0757 177.4789 44 R 3.8829 8.2123 119.9538 59.3607 30.1520 179.2399 45 D 4.5333 7.7722 116.3384 54.7534 40.7327 178.3372 *47 L 4.2780 7.9192 121.7248 54.8496 43.8906 179.4400 48 V 3.8110 7.7157 117.9175 65.9320 31.2384 178.0878 49 K 3.9897 8.1596 119.3818 59.4793 32.0790 178.4067 50 D 4.3310 8.1463 118.7458 57.6991 40.3489 178.8679 51 F 4.2458 8.4606 117.8036 60.2056 38.6762 177.7384 52 A 4.1272 7.8852 119.9484 55.4108 18.5030 179.1914 53 D 4.5987 8.5479 117.6235 55.9938 42.0328 175.9515 54 I 4.8681 7.6406 119.7621 57.8874 37.8212 173.4687 55 P 4.4897 0.0000 0.0000 64.5710 31.6196 176.9902 56 D 4.7793 7.8670 114.7110 52.8680 39.5465 176.0151 57 L 3.8296 7.5537 121.7731 55.8017 42.4031 176.4576 58 R 4.8281 7.9546 123.8619 54.9510 33.1264 173.6086 59 F 4.5337 9.6995 124.3294 55.8529 40.8003 175.2354 60 E 4.5779 8.1865 123.9732 54.8330 32.8886 173.3393 61 A 4.7684 8.6612 129.5185 51.6425 19.2034 176.4863 62 E 4.1318 9.4888 125.3759 58.7232 30.4424 177.0478 63 I 4.7239 7.7226 119.1551 59.3075 41.0960 174.2630 64 L 5.1791 8.6285 125.5406 52.8926 44.8533 175.9844 65 V 4.5985 8.8411 123.6017 61.1000 34.4596 174.3887 66 S 5.1714 8.6058 120.8706 57.3013 65.8273 173.4139 67 D 4.8981 8.5507 121.1122 52.5523 40.5074 176.2061 68 A 4.1380 8.9321 119.1233 54.8440 18.7721 178.4091 69 T 4.6712 8.1540 103.2713 61.3328 70.9421 173.5707 70 R 5.5068 8.5009 120.8573 54.4771 34.8833 173.9970 71 L 5.2967 9.2161 122.5858 53.3839 45.9371 174.7201 72 A 4.9906 9.3907 127.3927 49.9064 21.8272 174.8673 73 A 5.0622 8.8309 124.0888 50.0138 22.6271 174.9989 74 R 4.8057 8.9359 123.2934 55.1347 31.5038 174.8719 75 L 5.1335 8.9899 127.4048 53.0433 44.2250 175.3262 76 F 5.0791 8.3481 125.4766 56.3471 41.4493 174.5073 77 F 4.1814 7.9913 124.3133 55.4017 42.0370 174.2045 78 D 4.8944 8.0299 121.7456 52.9504 42.9864 173.3363 79 C 4.7532 8.7029 120.1997 57.6821 33.8240 173.4435 80 T 4.6916 8.0612 114.2863 60.6620 68.9194 171.3408 81 P 4.2703 0.0000 0.0000 62.3876 31.9695 177.2151 82 K 4.0278 8.9749 124.3088 58.3163 33.3299 176.5824 83 S 4.9052 7.6612 115.3128 57.6796 67.4346 176.7511 84 I 4.5305 8.6705 117.4223 60.9612 37.9244 175.8065 85 F 4.8341 8.7339 126.9387 57.3631 39.3803 174.8407 *87 D 4.2997 7.9079 115.0767 53.8383 42.7688 175.5285 88 L 4.6798 7.4849 119.9080 52.3646 44.0250 175.5576 89 P 4.9286 0.0000 0.0000 61.8686 30.1201 176.0632 90 V 3.5963 7.7905 123.7897 65.9152 32.9042 175.9750 91 N 4.5730 8.8305 115.3809 53.4018 36.1588 175.6444 92 G 4.0032 8.5650 103.3342 45.4576 0.0000 173.4001 93 R 4.3995 7.3765 118.0062 55.0171 31.2742 176.4167 94 R 4.4074 8.4851 123.6018 56.5689 30.9213 175.9480 95 V 4.8789 9.1444 118.7972 59.8636 36.5755 174.1001 96 Q 5.2586 9.2862 122.5619 54.2474 31.0446 175.0680 97 F 5.1163 8.4224 117.1187 56.3040 41.8780 172.8693 98 C 5.4879 9.0330 117.0280 58.2908 31.6657 172.1854 99 E 5.3566 9.4968 121.3967 54.9573 32.7948 174.0280 100 H 5.5997 9.4228 124.2877 54.1313 31.2893 173.8043 101 V 5.0616 8.6513 122.6997 60.0075 34.9428 174.2734 102 F 5.1722 9.4230 122.9248 56.0418 41.6629 174.2172 103 Y 5.1859 9.4625 120.6376 56.2649 41.4164 173.9155 104 D 5.3479 9.3024 124.2920 52.9130 43.0513 175.0045 105 F 5.0950 9.3493 125.5371 56.2290 40.9777 175.6364 106 E 4.5405 8.9414 121.4936 55.7523 32.7289 176.0984 107 Q 3.3320 9.7728 124.2757 57.1722 26.2092 174.1239 108 A 3.9082 8.3819 114.5658 52.5766 16.7244 177.9992 109 K 4.9425 7.8338 116.6655 55.1022 35.8806 175.8375 110 I 3.0833 8.4733 123.7347 61.6313 37.4391 176.3723 111 R 4.2654 8.9952 127.3286 57.0754 32.9077 175.7836 112 R 4.8621 7.5687 115.9301 54.1732 34.7446 174.5092 113 V 4.6150 7.9529 121.8570 60.7255 35.3183 174.2161 114 W 5.2092 9.2139 126.6907 55.0452 32.1474 174.2003 115 S 5.2917 9.7314 120.1239 56.3637 64.9221 173.3177 116 V 4.5291 8.8145 125.5007 61.2199 34.3053 174.1878 117 L 5.0042 8.6067 127.2874 53.6943 43.8827 177.3906 118 D 4.6302 8.8901 122.3913 53.0387 39.3645 176.8718 119 K 3.8233 8.0343 125.3911 58.8056 32.6368 177.8767 120 V 3.8080 8.0575 119.2912 65.3166 31.3458 177.6221 121 A 4.0749 7.9933 120.2986 55.2687 18.3617 179.7669 122 I 3.7135 7.4077 117.5496 64.4788 37.3276 178.2733 123 E 3.9595 8.2582 119.5141 59.7748 29.1264 179.7434 124 R 4.0609 7.8498 116.3608 59.5144 30.1904 178.9498 125 Q 4.1655 7.7670 116.5310 58.4371 28.7854 177.9397 126 L 4.4130 7.8372 118.1390 55.7465 42.0658 177.5482 127 G 3.8810 7.5765 110.1095 44.7889 0.0000 173.3342 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 0 G 8.34 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 0.00 0.00 0.00 *2 Q 7.76 4.62 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 3 T 7.96 4.67 4.20 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 1.20 0.00 0.00 4 L 8.26 3.61 0.00 1.49 1.32 0.69 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.06 4.36 0.00 2.80 2.90 0.00 0.00 7.16 8.08 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 6 D 7.79 4.37 0.00 2.86 2.74 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 7 I 7.71 3.85 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 1.24 0.00 0.00 8 Y 8.34 4.19 0.00 3.07 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 9 L 8.23 3.81 0.00 1.74 1.67 0.95 0.65 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 10 A 8.06 3.95 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 11 Y 7.55 2.55 0.00 2.22 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 12 L 7.48 3.34 0.00 1.57 1.48 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.94 4.31 0.00 2.91 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 14 S 7.84 4.14 0.00 4.15 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 0.00 15 L 7.60 4.04 0.00 1.46 1.51 0.65 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.22 4.58 0.00 2.78 2.84 0.00 0.00 7.05 8.07 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 17 H 7.75 4.53 0.00 3.02 3.22 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.46 2.52 0.00 1.62 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 19 A 7.52 4.19 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 20 F 7.34 4.90 0.00 3.13 3.02 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 21 D 8.12 4.48 0.00 2.66 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 22 E 8.03 4.30 0.00 2.40 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 0.00 2.31 2.18 0.00 23 L 7.89 4.36 0.00 2.10 1.84 1.26 1.49 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 24 G 8.09 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 0.00 0.00 0.00 25 T 7.84 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 26 F 8.23 4.89 0.00 3.25 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 27 V 7.39 4.46 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 0.41 0.00 0.00 0.49 0.00 0.00 28 D 8.65 4.40 0.00 2.69 2.47 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 0.00 29 D 8.77 4.42 0.00 2.74 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 30 N 8.43 5.30 0.00 2.70 2.80 0.00 0.00 7.02 8.00 0.00 0.00 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 V 7.56 3.91 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 0.84 0.00 0.00 0.93 0.00 0.00 32 E 8.92 5.04 0.00 1.72 1.56 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 2.05 2.12 0.00 33 H 7.96 4.84 0.00 3.31 2.70 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.16 3.96 0.00 2.78 2.78 0.00 0.00 7.10 7.20 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 35 G 7.73 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 36 R 7.54 4.11 0.00 1.27 1.51 0.00 3.09 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 37 P 0.00 4.69 0.00 2.17 2.04 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 38 F 7.83 4.63 0.00 3.11 3.28 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 39 G 8.49 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 40 L 8.48 3.94 0.00 1.90 1.70 0.98 0.88 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 41 S 8.09 4.20 0.00 4.06 4.09 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 42 G 7.55 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 0.00 0.00 0.00 43 Y 7.53 3.59 0.00 3.15 3.06 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 0.00 0.00 0.00 44 R 8.21 3.88 0.00 1.97 2.01 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 45 D 7.77 4.53 0.00 2.70 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 *47 L 7.92 4.28 0.00 1.07 1.65 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.72 3.81 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 1.06 0.00 0.00 1.06 0.00 0.00 49 K 8.16 3.99 0.00 2.01 1.78 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 50 D 8.15 4.33 0.00 2.89 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 51 F 8.46 4.25 0.00 3.27 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 52 A 7.89 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.60 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.87 1.50 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 0.71 0.00 0.00 55 P 0.00 4.49 0.00 2.05 2.18 0.00 3.68 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 56 D 7.87 4.78 0.00 2.76 2.73 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 57 L 7.55 3.83 0.00 1.36 0.84 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.95 4.83 0.00 1.75 1.64 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 59 F 9.70 4.53 0.00 2.92 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 60 E 8.19 4.58 0.00 1.97 1.62 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 2.31 2.38 0.00 61 A 8.66 4.77 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 62 E 9.49 4.13 0.00 1.96 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 0.00 2.30 2.25 0.00 63 I 7.72 4.72 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 1.34 0.62 0.90 0.00 0.00 64 L 8.63 5.18 0.00 1.50 1.55 1.10 1.03 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 65 V 8.84 4.60 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 1.01 0.00 0.00 0.92 0.00 0.00 66 S 8.61 5.17 0.00 3.91 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 67 D 8.55 4.90 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.93 4.14 1.32 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 69 T 8.15 4.67 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 1.27 0.00 0.00 70 R 8.50 5.51 0.00 1.98 2.02 0.00 3.14 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 71 L 9.22 5.30 0.00 1.68 1.60 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.39 4.99 0.68 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 0.00 0.00 73 A 8.83 5.06 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 74 R 8.94 4.81 0.00 1.78 1.82 0.00 3.12 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 75 L 8.99 5.13 0.00 1.71 1.21 1.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.35 5.08 0.00 2.93 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 77 F 7.99 4.18 0.00 1.51 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 78 D 8.03 4.89 0.00 2.17 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 79 C 8.70 4.75 0.00 3.03 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 T 8.06 4.69 4.20 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 1.20 0.00 0.00 81 P 0.00 4.27 0.00 2.01 1.72 0.00 3.73 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 1.98 1.66 0.00 82 K 8.97 4.03 0.00 1.70 1.85 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.37 7.81 83 S 7.66 4.91 0.00 3.85 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 84 I 8.67 4.53 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 1.30 0.66 0.90 0.00 0.00 85 F 8.73 4.83 0.00 2.91 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 *87 D 7.91 4.30 0.00 2.65 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 88 L 7.48 4.68 0.00 1.84 1.52 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.93 0.00 2.18 2.09 0.00 3.76 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 1.98 1.94 0.00 90 V 7.79 3.60 2.24 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 1.01 0.00 0.00 1.04 0.00 0.00 91 N 8.83 4.57 0.00 3.00 2.83 0.00 0.00 6.60 8.20 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 92 G 8.57 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 93 R 7.38 4.40 0.00 1.84 1.88 0.00 3.18 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 94 R 8.49 4.41 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 95 V 9.14 4.88 2.24 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 0.79 0.00 0.00 1.14 0.00 0.00 96 Q 9.29 5.26 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 97 F 8.42 5.12 0.00 3.16 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 C 9.03 5.49 0.00 3.06 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 99 E 9.50 5.36 0.00 2.47 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 2.43 2.48 0.00 100 H 9.42 5.60 0.00 3.19 3.23 0.00 5.63 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 0.00 101 V 8.65 5.06 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 1.08 0.00 0.00 0.51 0.00 0.00 102 F 9.42 5.17 0.00 3.27 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 0.00 103 Y 9.46 5.19 0.00 2.99 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 0.00 104 D 9.30 5.35 0.00 3.17 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 0.00 105 F 9.35 5.09 0.00 3.14 3.02 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 0.00 106 E 8.94 4.54 0.00 1.97 1.83 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 2.27 2.30 0.00 107 Q 9.77 3.33 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 108 A 8.38 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.94 0.00 1.72 1.68 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.55 7.81 110 I 8.47 3.08 1.39 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 0.76 0.00 0.00 111 R 9.00 4.27 0.00 1.81 1.97 0.00 3.03 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 112 R 7.57 4.86 0.00 1.37 0.66 0.00 3.41 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 113 V 7.95 4.61 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 0.76 0.00 0.00 1.11 0.00 0.00 114 W 9.21 5.21 0.00 3.37 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 0.00 115 S 9.73 5.29 0.00 3.88 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 0.00 116 V 8.81 4.53 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 1.05 0.00 0.00 1.02 0.00 0.00 117 L 8.61 5.00 0.00 1.51 1.56 0.89 1.36 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 0.00 118 D 8.89 4.63 0.00 2.90 2.74 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 0.00 119 K 8.03 3.82 0.00 1.72 1.72 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.55 1.35 7.81 120 V 8.06 3.81 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 1.12 0.00 0.00 0.93 0.00 0.00 121 A 7.99 4.07 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 0.00 122 I 7.41 3.71 1.90 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 0.91 0.00 0.00 123 E 8.26 3.96 0.00 2.18 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 0.00 2.31 2.44 0.00 124 R 7.85 4.06 0.00 1.98 2.02 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 125 Q 7.77 4.17 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 126 L 7.84 4.41 0.00 1.66 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.58 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 * Residues marked with a * may have inaccurate shift predictions.