NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.1955 8.1127 119.0318 55.4439 31.1975 174.4516 7 V 3.6421 8.0020 122.5755 63.1786 31.8016 174.3901 8 G 3.9668 9.2716 116.6399 44.7954 0.0000 172.8096 9 E 4.0605 8.0930 122.0067 56.9360 30.3346 175.9694 10 R 5.4300 8.7619 125.3242 54.6748 33.1094 175.1296 11 F 5.1489 9.4560 123.3621 57.0029 43.5198 173.4507 12 T 4.8621 6.8428 119.6416 61.8588 71.9606 172.9436 13 H 4.7601 8.6832 120.6339 53.9037 32.2957 171.9444 14 D 5.3809 8.4074 119.4143 52.8900 43.6889 176.0449 15 F 4.5253 8.6082 124.1671 56.9585 42.6477 173.4753 16 V 3.7751 7.7923 127.5481 62.3312 32.1306 175.5794 17 V 3.4242 8.6175 129.6682 62.2792 32.4215 173.9995 18 P 4.7280 0.0000 0.0000 60.9245 32.6552 175.2032 19 P 4.2360 0.0000 0.0000 65.8041 31.3093 177.6317 20 H 4.2358 7.8441 111.4467 55.3432 28.7623 175.3834 21 K 3.6295 7.7021 119.4301 56.3766 32.7362 176.4818 22 T 5.4110 7.3114 108.3428 59.4343 70.9254 175.5484 23 V 3.4065 8.6677 121.2766 66.1291 31.2559 178.1568 24 R 4.1593 7.9919 114.7148 58.5780 29.6866 177.5892 25 H 4.6299 8.0715 115.0342 57.2939 29.3702 176.5164 26 L 3.8499 7.8635 120.9413 57.5248 42.1131 176.7015 27 Y 4.8519 7.4638 116.7401 53.7300 38.4469 173.7985 28 P 4.5434 0.0000 0.0000 64.5956 31.8871 177.5016 29 E 4.1370 8.3595 113.8244 56.8960 29.6976 175.6681 30 S 4.6906 7.7867 115.4304 56.0842 62.8695 171.9334 31 P 4.4431 0.0000 0.0000 65.5004 31.4361 178.9414 32 E 4.0340 8.0029 116.7821 58.9076 29.6803 177.7486 33 F 4.5186 8.0207 116.1905 58.1892 39.6183 177.5816 34 A 4.1409 7.7517 123.6674 54.4182 18.1632 177.9919 35 E 4.8129 8.0679 112.0004 55.9492 30.1313 176.2732 36 F 4.3146 8.4121 118.0187 57.2786 39.5369 173.7793 37 P 4.4399 0.0000 0.0000 63.2942 31.6860 177.0663 38 E 4.4542 8.4665 120.5417 55.6101 28.0911 176.0915 39 V 4.8205 7.3909 114.0677 58.6374 36.5962 174.8820 40 F 4.9580 9.4328 125.7297 59.1933 39.6261 175.0579 41 A 4.1576 8.8161 128.0055 52.0350 19.0011 178.2401 42 T 3.6644 8.8433 118.5013 66.7611 69.0624 176.1340 43 G 3.5712 7.8923 109.6087 48.5869 0.0000 175.1368 44 F 4.6963 7.2969 117.5423 57.8573 38.4514 177.6271 *46 V 3.9433 8.0309 121.7152 62.9368 33.1231 176.8017 47 G 3.7320 7.8479 108.1314 48.5781 0.0000 175.7685 48 L 4.2830 8.1762 118.9836 55.7201 41.6323 178.2859 *50 E 4.1034 8.3053 118.2887 55.6491 31.5666 178.0501 51 W 4.2765 8.4099 127.7554 60.3941 30.6695 177.7824 52 A 3.8281 7.9664 120.7135 55.4397 17.5526 179.4873 53 C 2.9708 7.5953 113.5857 62.3670 28.2196 175.9620 54 V 3.7033 7.7432 119.3650 66.0356 31.1878 178.0546 55 R 3.9952 7.8006 116.5716 58.8850 29.8704 179.4091 56 A 3.7068 6.9614 116.0443 52.6931 18.0807 178.0230 *58 A 4.3577 7.9780 125.7517 53.3222 20.3924 177.8405 59 P 4.3263 0.0000 0.0000 64.2323 31.4608 176.3680 60 Y 4.5798 7.7818 114.4563 57.5955 38.8102 175.4425 61 L 4.5275 7.4184 120.4678 53.5228 43.0881 176.6474 62 E 4.2917 9.2448 122.4235 55.0695 30.2674 174.8725 63 P 4.4384 0.0000 0.0000 64.3120 31.9281 177.3859 64 G 4.0329 9.0277 109.8950 45.3698 0.0000 172.7696 65 E 5.0331 7.8066 119.0126 55.1348 31.4432 175.7322 66 G 4.3154 8.8914 108.3083 45.5262 0.0000 171.1001 67 S 5.1991 8.4943 112.4282 56.9223 66.3886 173.3293 68 L 4.7605 8.7274 120.4944 52.5478 45.2700 176.2316 69 G 4.1672 8.7358 109.9091 46.7089 0.0000 173.3142 70 T 4.7787 8.8980 114.2015 61.7138 71.0261 174.1145 71 A 4.6632 7.6084 121.8019 51.0717 22.6547 174.9816 72 I 4.9844 8.2750 120.3390 59.7721 41.3492 174.4336 73 C 4.7203 9.4301 129.4844 57.9603 33.3528 172.6958 74 V 5.1429 8.1406 117.1744 59.6546 35.7897 174.8494 75 T 4.4931 8.5668 112.9566 61.0740 71.6002 173.5223 76 H 5.3823 8.6289 121.2858 55.1843 30.7879 172.2297 77 T 4.6075 9.4911 115.1602 61.6835 70.0317 174.6051 78 A 4.6240 7.9129 122.9610 50.7338 22.2700 174.7405 79 A 4.7958 8.3320 121.3442 50.9046 21.3884 177.0156 80 T 4.6603 8.3533 116.5380 60.9375 71.8836 172.2024 81 P 4.9613 0.0000 0.0000 61.5784 33.0726 174.2748 82 P 4.4127 0.0000 0.0000 64.0480 31.7853 176.0844 83 G 4.0508 8.7048 110.2776 45.7210 0.0000 174.5859 84 L 4.2158 7.3489 118.4393 54.8724 43.4329 176.3115 85 T 4.6460 8.2335 117.8208 62.4200 70.5973 173.7756 86 V 4.4924 8.8991 127.4958 61.7643 33.5542 174.4727 87 T 4.8107 8.5776 125.6571 62.0998 70.3284 173.7256 88 V 4.7564 8.4180 127.3846 61.7121 33.7018 174.5133 89 T 5.1146 8.9399 124.4494 61.6636 71.3576 172.9990 90 A 5.3429 9.1973 127.9972 50.0892 22.0559 174.3627 91 E 5.2485 9.7965 124.2138 53.9752 32.7349 174.8690 92 L 3.5780 9.0720 130.3846 55.3429 42.4652 177.2042 93 R 4.6620 8.3215 124.4972 56.3124 32.5383 176.0327 94 S 4.4040 7.1314 110.3424 57.3791 65.7914 174.8840 95 V 4.4278 8.4716 127.7764 61.5317 33.5686 176.3621 96 E 4.5224 9.0583 129.7878 54.1893 30.2555 174.4381 97 G 3.8265 8.5392 116.9541 46.8391 0.0000 173.6309 98 R 4.2054 9.0429 126.8242 57.2699 31.3374 178.7949 99 R 5.0985 7.5044 116.3611 55.8568 31.7362 180.7755 100 L 5.0331 9.1031 124.5566 51.8631 45.1677 175.4252 101 S 5.1112 8.6052 117.6575 56.2743 65.1391 172.4764 102 W 5.1887 9.4601 127.2767 54.8125 32.1318 174.8881 103 R 4.7243 9.2297 125.6347 56.0761 30.8183 175.4527 104 V 5.0919 8.8174 119.6813 59.9432 35.1037 174.7116 105 S 5.1532 8.9176 116.8698 57.1889 66.4061 172.6318 106 A 5.3963 9.1454 126.6034 50.7168 22.8027 174.7127 107 H 5.3469 9.0284 115.5398 53.5916 32.6073 173.3773 108 D 5.4863 8.6862 117.9196 52.4083 39.3845 177.5519 109 G 4.0726 8.7214 109.8422 45.8339 0.0000 174.7440 110 V 4.1952 7.9622 116.6081 63.7790 33.4092 175.1680 111 D 4.9888 8.8306 118.2686 51.8545 44.4800 174.9437 112 E 4.4061 8.8120 121.7674 56.8304 30.0702 176.9172 113 I 4.4977 9.2787 116.0426 59.9514 40.1720 175.4869 114 G 4.6132 7.9543 112.2441 46.4638 0.0000 171.5217 115 S 5.1098 7.1511 113.2880 56.1661 66.7560 175.4556 116 G 4.2585 7.5227 108.7133 46.4976 0.0000 172.6379 117 T 5.2452 8.9066 121.0943 61.9427 72.7951 172.2308 118 H 5.4798 9.5757 124.7525 54.5544 33.6529 171.8937 119 E 5.3638 8.8370 123.2286 54.9018 33.8103 175.0036 120 R 5.2078 8.9769 119.5920 54.7291 35.3174 173.8396 121 A 5.1772 8.7539 123.7282 49.9530 22.0664 175.6325 122 V 4.2462 8.6555 123.5846 62.6650 32.2809 175.4051 123 I 4.6376 8.7969 121.3436 59.1250 41.1727 174.2379 124 H 4.8719 8.6778 123.5772 55.5426 30.5678 175.8641 125 L 4.0285 9.1162 128.3296 58.0207 41.3941 179.3039 126 E 3.9058 7.8811 117.9098 59.5005 28.9338 179.3661 127 K 3.9870 7.6972 118.9268 59.1338 32.4120 178.6114 128 F 4.1786 8.2750 121.2639 61.3475 39.4319 176.9832 129 N 4.1955 8.4788 116.0009 56.2132 38.0847 177.2630 130 A 3.9920 7.7349 122.3561 54.9709 18.2243 179.7463 131 K 4.0378 7.5868 116.8575 58.9893 32.4237 179.5511 132 V 3.6514 7.2822 118.9186 64.4083 31.6875 178.4688 133 R 3.9566 8.4210 119.3508 58.3866 29.8069 177.7951 134 Q 4.6093 7.6026 115.8745 55.5090 28.7793 176.3636 135 K 4.5773 7.5467 116.3798 56.8869 33.5338 175.4398 136 T 4.2311 7.4274 113.8863 60.3730 67.9509 172.8135 137 P 4.4094 0.0000 0.0000 63.3216 31.0163 175.9187 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 6 R 8.11 4.20 0.00 1.75 1.88 0.00 3.22 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 8.00 3.64 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 0.83 0.00 0.00 0.80 0.00 0.00 8 G 9.27 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 9 E 8.09 4.06 0.00 2.40 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 2.46 2.40 0.00 10 R 8.76 5.43 0.00 1.79 1.88 0.00 3.24 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 11 F 9.46 5.15 0.00 3.09 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 12 T 6.84 4.86 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 1.07 0.00 0.00 13 H 8.68 4.76 0.00 2.90 2.84 0.00 5.22 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 14 D 8.41 5.38 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.53 0.00 2.84 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 16 V 7.79 3.78 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 0.58 0.00 0.00 0.76 0.00 0.00 17 V 8.62 3.42 1.84 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 0.87 0.00 0.00 0.19 0.00 0.00 18 P 0.00 4.73 0.00 1.88 1.96 0.00 3.68 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 19 P 0.00 4.24 0.00 2.19 2.15 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 20 H 7.84 4.24 0.00 3.10 3.23 0.00 5.47 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.70 3.63 0.00 1.94 1.59 0.00 0.61 0.00 0.00 0.66 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.12 1.63 7.81 22 T 7.31 5.41 4.38 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 1.35 0.00 0.00 23 V 8.67 3.41 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 0.02 0.00 0.00 1.03 0.00 0.00 24 R 7.99 4.16 0.00 2.10 2.24 0.00 3.05 0.00 0.00 3.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 25 H 8.07 4.63 0.00 3.56 3.62 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.86 3.85 0.00 1.17 1.65 -0.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.46 4.85 0.00 3.32 2.93 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 0.00 0.00 0.00 0.00 28 P 0.00 4.54 0.00 2.07 2.16 0.00 3.72 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 29 E 8.36 4.14 0.00 2.16 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 0.00 2.58 2.37 0.00 30 S 7.79 4.69 0.00 3.68 4.11 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 31 P 0.00 4.44 0.00 2.19 2.08 0.00 3.57 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 2.08 2.10 0.00 32 E 8.00 4.03 0.00 1.56 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 0.00 2.19 2.33 0.00 33 F 8.02 4.52 0.00 2.98 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 34 A 7.75 4.14 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 35 E 8.07 4.81 0.00 2.12 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 2.26 2.38 0.00 36 F 8.41 4.31 0.00 3.20 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 37 P 0.00 4.44 0.00 2.20 2.06 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 38 E 8.47 4.45 0.00 2.03 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 2.38 2.33 0.00 39 V 7.39 4.82 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 0.90 0.00 0.00 1.06 0.00 0.00 40 F 9.43 4.96 0.00 3.02 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 41 A 8.82 4.16 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.84 3.66 4.21 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 1.20 0.00 0.00 43 G 7.89 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 44 F 7.30 4.70 0.00 2.70 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 *46 V 8.03 3.94 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 0.73 0.00 0.00 0.92 0.00 0.00 47 G 7.85 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 48 L 8.18 4.28 0.00 2.05 1.75 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.31 4.10 0.00 2.25 1.99 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 1.91 2.35 0.00 51 W 8.41 4.28 0.00 3.52 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 52 A 7.97 3.83 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 53 C 7.60 2.97 0.00 2.76 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 0.00 0.00 0.00 54 V 7.74 3.70 2.29 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 0.86 0.00 0.00 1.01 0.00 0.00 55 R 7.80 4.00 0.00 1.58 1.47 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 56 A 6.96 3.71 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 *58 A 7.98 4.36 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 59 P 0.00 4.33 0.00 1.46 1.87 0.00 3.80 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 1.85 1.97 0.00 60 Y 7.78 4.58 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 4.53 0.00 1.66 1.62 0.95 0.87 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 62 E 9.24 4.29 0.00 2.07 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 0.00 2.44 2.44 0.00 63 P 0.00 4.44 0.00 2.05 2.00 0.00 3.71 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 2.03 2.09 0.00 64 G 9.03 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 65 E 7.81 5.03 0.00 2.27 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 2.31 2.27 0.00 66 G 8.89 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 67 S 8.49 5.20 0.00 3.94 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 68 L 8.73 4.76 0.00 1.44 1.45 0.34 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.74 4.17 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 0.00 70 T 8.90 4.78 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 1.26 0.00 0.00 71 A 7.61 4.66 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 72 I 8.27 4.98 1.94 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 0.84 0.93 0.00 0.00 73 C 9.43 4.72 0.00 3.00 2.77 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 74 V 8.14 5.14 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 0.83 0.00 0.00 0.93 0.00 0.00 75 T 8.57 4.49 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 1.24 0.00 0.00 76 H 8.63 5.38 0.00 3.11 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.49 4.61 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 1.25 0.00 0.00 78 A 7.91 4.62 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.33 4.80 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 T 8.35 4.66 4.38 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 1.14 0.00 0.00 81 P 0.00 4.96 0.00 2.11 2.19 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.41 0.00 2.03 1.94 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 G 8.70 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 84 L 7.35 4.22 0.00 1.66 1.67 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.23 4.65 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 1.10 0.00 0.00 86 V 8.90 4.49 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 0.98 0.00 0.00 0.69 0.00 0.00 87 T 8.58 4.81 3.79 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 1.17 0.00 0.00 88 V 8.42 4.76 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 0.98 0.00 0.00 0.96 0.00 0.00 89 T 8.94 5.11 4.26 0.00 0.00 0.00 0.00 0.00 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 90 A 9.20 5.34 1.14 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 91 E 9.80 5.25 0.00 2.08 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 2.22 2.27 0.00 92 L 9.07 3.58 0.00 0.92 1.20 -0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.32 4.66 0.00 1.68 1.87 0.00 3.39 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 94 S 7.13 4.40 0.00 3.76 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.43 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 0.71 0.00 0.00 0.71 0.00 0.00 96 E 9.06 4.52 0.00 1.86 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 2.15 2.09 0.00 97 G 8.54 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 98 R 9.04 4.21 0.00 1.75 1.93 0.00 3.23 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 99 R 7.50 5.10 0.00 1.53 1.82 0.00 3.18 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 100 L 9.10 5.03 0.00 1.63 1.27 0.99 0.46 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 S 8.61 5.11 0.00 3.79 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 0.00 102 W 9.46 5.19 0.00 3.40 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 0.00 103 R 9.23 4.72 0.00 1.92 1.88 0.00 3.08 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 104 V 8.82 5.09 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 0.70 0.00 0.00 1.01 0.00 0.00 105 S 8.92 5.15 0.00 3.91 3.67 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 0.00 106 A 9.15 5.40 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 0.00 107 H 9.03 5.35 0.00 3.25 3.54 0.00 5.23 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 0.00 108 D 8.69 5.49 0.00 2.68 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 0.00 109 G 8.72 4.07 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 0.00 0.00 0.00 110 V 7.96 4.20 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.83 4.99 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.41 0.00 1.98 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 0.00 2.33 2.26 0.00 113 I 9.28 4.50 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 1.04 0.00 0.00 114 G 7.95 4.61 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 0.00 0.00 0.00 115 S 7.15 5.11 0.00 4.03 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 0.00 116 G 7.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 5.25 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 1.31 0.00 0.00 118 H 9.58 5.48 0.00 3.20 3.19 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.84 5.36 0.00 1.93 1.77 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 2.23 2.28 0.00 120 R 8.98 5.21 0.00 1.88 1.82 0.00 3.10 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 121 A 8.75 5.18 1.19 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 0.00 0.00 122 V 8.66 4.25 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 0.81 0.00 0.00 0.96 0.00 0.00 123 I 8.80 4.64 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.02 0.73 0.00 0.00 124 H 8.68 4.87 0.00 3.21 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.12 4.03 0.00 1.78 1.72 0.93 0.63 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 0.00 126 E 7.88 3.91 0.00 1.86 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 0.00 2.41 2.43 0.00 127 K 7.70 3.99 0.00 1.95 1.89 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.54 7.81 128 F 8.28 4.18 0.00 3.26 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 0.00 129 N 8.48 4.20 0.00 2.77 2.83 0.00 0.00 6.96 6.79 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 0.00 130 A 7.73 3.99 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 0.00 131 K 7.59 4.04 0.00 1.69 1.64 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.34 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.30 7.81 132 V 7.28 3.65 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 0.30 0.00 0.00 0.83 0.00 0.00 133 R 8.42 3.96 0.00 2.00 1.99 0.00 3.06 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 134 Q 7.60 4.61 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 135 K 7.55 4.58 0.00 1.82 1.83 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.28 7.81 136 T 7.43 4.23 4.21 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 1.21 0.00 0.00 137 P 0.00 4.41 0.00 2.20 2.03 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.