NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4574 8.3044 120.2691 55.0703 33.2200 174.4712 2 R 3.8389 8.1766 125.2511 55.6221 31.6613 174.3355 3 H 4.7440 9.2745 123.5052 56.0675 31.4636 173.5764 4 Y 5.0424 8.9277 117.2723 57.3345 42.5824 174.2814 5 E 4.4076 9.1151 126.7933 55.3907 29.9946 173.7497 6 I 4.7056 8.2406 126.7176 58.8714 40.3028 174.4254 7 V 4.7130 7.7708 127.9389 59.8786 34.8402 173.9321 8 F 4.8470 7.3177 113.8410 56.6231 40.7965 172.3128 9 M 5.3021 8.6354 116.2179 52.5522 33.5352 174.4008 10 V 4.6925 8.4887 123.0259 61.4537 33.6614 173.9164 11 H 3.5937 8.8641 127.7827 55.9006 30.6038 171.9415 12 P 4.1339 0.0000 0.0000 63.8133 31.1991 178.0436 13 D 4.4638 8.5012 120.0111 58.2143 42.0702 178.6647 14 Q 4.2097 8.3978 115.3282 56.9838 29.0155 177.5168 15 S 4.3639 9.1491 115.4899 59.8166 62.5152 175.6178 16 E 3.9260 7.4462 123.4714 59.6627 29.6744 177.9278 17 Q 4.1047 8.5078 117.9924 57.3946 28.9392 177.9089 18 V 3.5089 7.4826 119.7651 66.1643 31.5337 175.8877 19 P 4.3622 0.0000 0.0000 65.8862 31.5255 178.1936 20 G 3.7965 8.1158 106.1177 47.7091 0.0000 174.7663 21 M 3.5021 7.4294 119.4464 57.8089 31.9029 178.2233 22 I 4.0099 7.3485 119.6201 64.9436 37.3669 178.0545 23 E 4.1085 8.3678 119.0471 59.5835 29.0791 179.9945 24 R 4.3313 7.6172 113.1600 57.0360 30.1031 177.3318 25 Y 4.9762 8.0512 118.7764 60.2448 39.2827 177.7585 26 T 4.3248 7.7498 108.4352 63.1210 68.9988 175.4805 27 A 4.2888 8.0220 122.0257 53.0947 19.0579 177.6560 28 A 4.5720 7.6451 118.1022 53.1311 20.5018 178.8924 29 I 3.7446 7.6586 117.7965 64.8210 37.0982 178.4584 30 T 4.0666 8.3023 116.2258 65.7881 68.2227 175.6933 31 G 4.2266 7.5746 105.0222 44.1606 0.0000 173.3336 32 A 4.6834 7.3811 121.9178 51.6018 19.6195 178.9800 33 E 3.8512 8.7246 117.5220 58.0784 27.7524 174.8011 34 G 3.9783 7.4148 105.2013 46.2981 0.0000 172.8467 35 K 4.8396 8.9179 118.0401 54.6233 36.1185 176.5851 36 I 4.4688 8.1299 122.9088 61.0265 39.8781 174.7490 37 H 4.4739 8.8696 130.0303 56.3448 26.9135 178.9286 38 R 4.0998 9.2958 123.0753 57.8171 31.0314 174.6327 39 L 4.7656 8.2121 121.8277 54.6884 44.9141 172.9908 40 E 4.8736 8.5810 120.3437 55.6419 32.7334 174.9081 41 D 4.6461 9.0417 123.2001 54.0627 41.6158 175.0347 42 W 4.4428 9.5805 126.6382 56.8809 30.3547 176.9140 43 G 4.1167 8.0612 101.7981 42.9778 0.0000 173.8685 44 R 4.2431 7.6864 118.9479 55.7458 28.3314 177.3291 45 R 4.1097 7.2050 120.0141 56.4364 32.0610 175.8832 46 Q 4.6084 8.3992 122.9084 55.4414 29.7366 175.5542 47 L 4.4036 8.0502 123.5445 53.9513 42.3660 177.2267 48 A 3.9923 8.4445 124.1649 55.1285 18.5130 176.9808 49 Y 4.8522 7.1317 111.2444 55.3066 41.4527 173.5613 50 P 4.7021 0.0000 0.0000 62.5328 29.3708 176.1921 51 I 3.8323 7.7056 118.9208 62.8291 38.8700 174.4389 52 N 3.9243 9.5459 123.7079 53.0948 37.5670 171.2692 53 K 3.6667 8.4122 120.8763 59.3400 30.9272 172.7481 54 L 4.5177 8.1749 133.7027 54.9457 42.6308 173.4133 55 H 4.8285 7.8861 127.9505 53.7719 26.7661 175.2494 56 K 4.6180 7.4370 114.5746 56.3198 36.5397 176.9019 57 A 4.4542 8.1767 123.3279 50.8943 22.1925 175.8817 58 H 4.4031 8.3975 120.8127 56.3097 31.4894 173.4635 59 Y 5.1944 8.3325 118.7712 56.6256 41.6637 174.0063 60 V 4.1036 6.8589 118.7754 64.0063 34.5571 173.6180 61 L 4.1983 7.7185 115.9571 55.3578 44.5209 173.9489 62 M 4.3905 8.4797 124.1294 56.8531 34.4208 176.8183 63 N 5.1633 8.4122 110.8547 53.2027 36.9860 176.0045 64 V 3.9379 7.0710 119.5570 64.3542 34.0019 173.9720 65 E 4.9374 8.0785 116.2071 56.5438 33.1789 175.9337 66 A 4.8835 8.2221 127.9758 50.7610 23.3123 173.5632 67 P 4.4438 0.0000 0.0000 62.3905 32.1342 177.5728 68 Q 3.8430 8.8353 119.4516 58.2250 28.4931 177.5799 69 E 4.1727 8.0740 118.5261 57.7991 29.8577 177.5377 70 V 4.2735 8.6017 112.3036 62.5313 33.4497 176.8427 71 I 3.9400 7.5078 116.0978 61.9314 37.9264 176.9298 72 D 4.1815 7.8216 118.8299 58.3531 41.1407 177.1231 73 E 3.8892 8.2375 118.4239 59.6544 29.3252 178.6991 74 L 4.0008 7.8754 119.0624 58.3933 41.9624 178.6525 75 E 3.6053 8.1130 118.3124 59.9604 29.8049 178.8617 76 T 4.1049 7.7353 113.8047 65.0824 68.5246 177.1178 77 T 3.9262 7.6423 117.8682 66.8722 68.7602 175.5294 78 F 4.0576 8.3506 119.1239 60.9623 38.7743 177.7616 79 R 4.0848 8.1088 115.4009 59.5496 29.9269 178.5096 80 F 5.2228 7.9105 114.5542 56.7154 39.7807 174.6478 81 N 4.9531 8.2841 118.2971 52.0321 40.7185 174.0695 82 D 4.4640 8.7991 125.5845 57.3228 41.6017 178.4415 83 A 4.1223 8.0711 121.0793 54.0401 18.5791 176.9621 84 V 4.7776 7.4295 115.0325 60.4090 33.7355 176.0610 85 I 4.9428 8.2502 123.0228 60.7452 40.9329 174.3949 86 R 3.8385 8.2410 120.4955 55.8151 30.4070 175.4960 87 S 5.1229 8.5809 118.2096 56.9995 66.1960 172.5658 88 M 4.7058 8.3043 123.4720 54.3301 36.1375 173.7776 89 V 4.3694 8.0094 124.3670 60.0801 34.0607 174.8186 90 M 4.4426 8.9971 126.8649 54.4723 33.3728 177.3101 91 R 4.6675 8.7044 119.6204 57.6290 30.7199 175.7899 92 T 3.3205 8.4508 107.2003 62.9359 67.4257 173.7828 93 K 3.7238 9.2715 122.8756 56.5393 32.1913 175.5833 94 H 3.9342 8.5351 110.8157 55.6566 28.0841 174.3411 95 A 4.0996 8.0954 123.1585 52.4370 18.2618 177.1594 96 V 4.3333 8.4341 123.1069 61.4596 33.2695 174.7036 97 T 4.4371 8.4200 123.7716 62.5751 70.4541 169.7436 98 E 3.8187 8.9023 133.8361 55.3528 29.9357 173.3924 99 A 4.5962 7.8594 129.9473 53.1600 20.6214 176.5344 100 S 4.2433 8.1334 113.3613 60.2301 65.8857 174.3403 *101 P 4.2215 0.0000 0.0000 62.3336 31.2045 180.2275 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 M 8.30 4.46 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 R 8.18 3.84 0.00 1.81 1.26 0.00 3.12 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.53 0.00 3 H 9.27 4.74 0.00 2.99 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.93 5.04 0.00 2.78 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 5 E 9.12 4.41 0.00 2.11 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 2.26 2.47 0.00 6 I 8.24 4.71 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.22 0.95 0.00 0.00 7 V 7.77 4.71 1.70 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 0.65 0.00 0.00 0.38 0.00 0.00 8 F 7.32 4.85 0.00 3.33 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 9 M 8.64 5.30 0.00 2.53 2.44 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 10 V 8.49 4.69 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 1.07 0.00 0.00 1.24 0.00 0.00 11 H 8.86 3.59 0.00 3.24 3.40 0.00 6.01 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 12 P 0.00 4.13 0.00 2.03 1.77 0.00 2.95 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 13 D 8.50 4.46 0.00 2.81 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 14 Q 8.40 4.21 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 15 S 9.15 4.36 0.00 4.02 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 0.00 16 E 7.45 3.93 0.00 1.85 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 0.00 2.32 2.32 0.00 17 Q 8.51 4.10 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 18 V 7.48 3.51 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 0.93 0.00 0.00 0.87 0.00 0.00 19 P 0.00 4.36 0.00 2.29 2.28 0.00 3.87 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 2.05 2.02 0.00 20 G 8.12 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 21 M 7.43 3.50 0.00 1.19 1.87 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.27 0.00 22 I 7.35 4.01 2.05 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 1.74 1.03 1.01 0.00 0.00 23 E 8.37 4.11 0.00 1.97 1.98 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 2.35 2.36 0.00 24 R 7.62 4.33 0.00 1.77 1.88 0.00 3.08 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 25 Y 8.05 4.98 0.00 3.18 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 26 T 7.75 4.32 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 1.37 0.00 0.00 27 A 8.02 4.29 1.40 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 28 A 7.65 4.57 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 29 I 7.66 3.74 1.90 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 1.65 1.14 0.93 0.00 0.00 30 T 8.30 4.07 4.31 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 1.23 0.00 0.00 31 G 7.57 4.23 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 0.00 32 A 7.38 4.68 1.26 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 33 E 8.72 3.85 0.00 2.15 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 2.24 0.00 34 G 7.41 3.98 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 0.00 0.00 0.00 35 K 8.92 4.84 0.00 1.60 1.59 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 36 I 8.13 4.47 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.95 0.00 0.00 37 H 8.87 4.47 0.00 3.19 2.81 0.00 5.74 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 38 R 9.30 4.10 0.00 2.04 1.93 0.00 3.51 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 39 L 8.21 4.77 0.00 1.71 1.56 1.12 0.97 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 40 E 8.58 4.87 0.00 2.14 1.97 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 2.41 2.61 0.00 41 D 9.04 4.65 0.00 2.75 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 42 W 9.58 4.44 0.00 3.36 3.31 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 43 G 8.06 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.69 4.24 0.00 1.70 1.83 0.00 3.16 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 45 R 7.20 4.11 0.00 1.84 1.44 0.00 3.42 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 46 Q 8.40 4.61 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 47 L 8.05 4.40 0.00 1.59 1.69 1.11 0.75 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 48 A 8.44 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.13 4.85 0.00 2.96 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 50 P 0.00 4.70 0.00 2.27 2.32 0.00 3.86 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 2.07 1.98 0.00 51 I 7.71 3.83 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 1.08 0.00 0.00 52 N 9.55 3.92 0.00 2.92 2.92 0.00 0.00 7.12 6.68 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 53 K 8.41 3.67 0.00 1.94 1.84 0.00 1.96 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.53 7.81 54 L 8.17 4.52 0.00 1.80 1.78 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.89 4.83 0.00 3.28 3.51 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.44 4.62 0.00 1.55 1.62 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.38 7.81 57 A 8.18 4.45 1.18 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 0.00 0.00 58 H 8.40 4.40 0.00 3.27 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.33 5.19 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.86 4.10 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 0.85 0.00 0.00 0.54 0.00 0.00 61 L 7.72 4.20 0.00 1.38 1.47 0.96 -0.54 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 62 M 8.48 4.39 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 63 N 8.41 5.16 0.00 3.10 2.93 0.00 0.00 7.23 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 64 V 7.07 3.94 2.15 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 0.95 0.00 0.00 1.01 0.00 0.00 65 E 8.08 4.94 0.00 1.86 1.74 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 1.94 1.78 0.00 66 A 8.22 4.88 1.22 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 0.00 0.00 67 P 0.00 4.44 0.00 2.25 2.20 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 68 Q 8.84 3.84 0.00 2.22 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 69 E 8.07 4.17 0.00 1.96 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 2.29 2.33 0.00 70 V 8.60 4.27 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 0.86 0.00 0.00 1.07 0.00 0.00 71 I 7.51 3.94 1.74 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.65 0.00 0.00 72 D 7.82 4.18 0.00 3.10 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 73 E 8.24 3.89 0.00 2.12 1.97 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 2.41 2.52 0.00 74 L 7.88 4.00 0.00 1.76 1.67 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.11 3.61 0.00 1.98 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 2.20 2.28 0.00 76 T 7.74 4.10 4.13 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 0.00 0.00 0.84 0.00 0.00 77 T 7.64 3.93 4.43 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 1.14 0.00 0.00 78 F 8.35 4.06 0.00 2.95 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 79 R 8.11 4.08 0.00 1.52 1.88 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 80 F 7.91 5.22 0.00 2.99 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 81 N 8.28 4.95 0.00 2.72 2.69 0.00 0.00 7.07 8.78 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 82 D 8.80 4.46 0.00 2.75 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 83 A 8.07 4.12 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 84 V 7.43 4.78 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 0.94 0.00 0.00 1.21 0.00 0.00 85 I 8.25 4.94 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 1.01 0.00 0.00 86 R 8.24 3.84 0.00 1.89 1.95 0.00 3.15 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 87 S 8.58 5.12 0.00 4.12 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 88 M 8.30 4.71 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 89 V 8.01 4.37 1.76 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 0.53 0.00 0.00 0.62 0.00 0.00 90 M 9.00 4.44 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 91 R 8.70 4.67 0.00 1.94 2.12 0.00 3.11 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 92 T 8.45 3.32 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 1.11 0.00 0.00 93 K 9.27 3.72 0.00 1.92 1.90 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.39 7.81 94 H 8.54 3.93 0.00 3.24 3.35 0.00 5.91 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 95 A 8.10 4.10 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 96 V 8.43 4.33 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 0.91 0.00 0.00 0.99 0.00 0.00 97 T 8.42 4.44 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 1.24 0.00 0.00 98 E 8.90 3.82 0.00 2.14 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 2.17 2.31 0.00 99 A 7.86 4.60 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 0.00 100 S 8.13 4.24 0.00 3.64 3.33 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 0.00 *101 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.