NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2920 8.2033 121.7108 55.8851 30.9991 176.7488 4 I 3.8594 7.4954 118.5489 62.9014 37.3340 174.3830 5 E 4.2080 8.8289 117.6600 57.9855 29.9462 178.1713 6 D 4.4915 7.8125 119.6414 57.2327 41.4045 178.5343 7 K 3.9558 7.5994 117.7130 59.5055 31.9689 179.1764 8 I 3.9136 7.7760 119.4313 63.3869 36.8713 177.6252 9 E 4.1512 8.4298 121.2373 58.4546 29.4580 178.3127 10 E 3.9968 8.0259 117.4726 59.4837 30.0936 178.8380 11 I 3.6862 7.8756 120.9184 64.0455 36.8551 178.2693 12 L 4.1353 7.5584 118.2582 57.1733 41.4149 179.4415 13 S 4.1029 7.7000 113.3952 61.5075 62.4254 175.6527 14 K 3.8345 8.1775 121.0363 60.0428 31.6241 178.9195 15 I 3.8983 7.6213 119.4399 64.8549 36.9078 177.6862 16 Y 4.2540 7.6748 120.0845 61.0965 38.7412 177.4950 17 H 4.1939 8.3133 117.4643 58.3701 28.3893 177.1898 18 I 4.0271 8.3627 113.7487 62.4744 37.2013 177.5200 19 E 4.1349 7.6749 120.3990 58.8329 29.5220 178.4302 20 N 4.2433 7.6413 116.3617 56.1522 38.5688 177.2059 21 E 3.8847 8.0936 119.3600 59.6473 29.7391 179.1331 22 I 3.5977 7.3300 118.6550 64.5074 37.3204 177.9860 23 A 3.9579 7.6760 120.7934 55.2382 18.3320 179.8546 24 R 3.8906 8.0214 114.4883 59.4239 29.3101 179.0655 25 I 3.6639 8.3738 120.7158 64.2375 36.9507 178.4580 26 K 3.9434 8.0295 120.2268 59.9518 32.0441 179.9229 27 K 4.1667 7.8201 123.6789 59.6263 31.5357 183.0602 28 L 4.2161 7.8546 122.5769 58.3210 40.8353 180.1753 29 I 4.0581 8.0481 119.0757 63.8400 35.1113 179.8058 30 G 4.1252 7.9083 107.4235 48.8215 0.0000 176.2440 31 E 4.1773 8.0591 120.5322 60.8460 29.8417 182.7564 32 A 4.1227 7.2542 120.6071 53.8419 18.5588 178.2662 *51 D 5.0277 7.5962 117.3669 54.7888 43.0172 177.6938 52 G 3.7848 7.8527 107.1268 47.5746 0.0000 175.2692 53 L 4.1171 7.9597 121.2228 57.0909 41.9390 179.6372 54 I 3.8633 7.4084 119.6582 64.6419 35.2544 182.9991 55 E 4.2050 8.0471 120.0274 58.4788 29.9257 178.4888 56 G 3.6526 8.3539 105.8940 47.2235 0.0000 175.4563 57 L 3.9669 7.7673 122.5578 57.9446 41.8771 178.7636 58 R 4.0734 7.6242 117.9828 58.7266 29.9822 177.9621 59 Q 4.3360 7.7083 117.3652 57.7245 29.2314 177.7045 60 L 3.9059 7.7355 120.9711 58.0383 41.7086 178.8036 61 A 3.9749 7.7987 119.6905 54.1159 18.2965 179.0344 62 N 4.3304 7.4364 116.3110 56.4927 39.2594 176.8298 63 E 3.9572 8.0732 119.8277 59.7561 29.6105 179.3084 64 T 3.8617 7.8967 115.5843 67.2173 68.3991 176.4638 65 T 3.9049 7.3857 112.2203 65.0937 66.9777 175.5093 66 Q 4.1966 7.9409 119.4500 58.4752 28.4766 177.9989 67 A 4.1418 8.3051 121.7971 54.8162 18.3013 179.6262 68 L 4.2543 8.2333 117.7913 57.8286 41.5763 179.3517 69 Q 4.1773 7.8182 116.8866 58.3165 28.7172 178.1655 70 L 4.0942 7.8627 119.6044 57.1725 41.6919 179.0175 71 F 4.1957 7.9307 117.4735 60.1596 38.9299 177.5865 72 L 3.9190 8.1396 122.4514 58.6103 41.7048 179.8377 73 R 3.8939 7.9193 120.3582 61.2719 29.4232 181.2057 74 A 4.2046 8.0014 121.5190 55.4968 18.6007 179.7922 75 T 3.9304 8.7125 115.1122 67.1091 68.5728 176.7863 76 T 4.1483 8.0889 111.2013 64.2717 68.9812 176.8416 77 E 4.0319 8.0114 122.2090 59.2287 29.4265 179.0815 78 L 4.1247 8.0211 119.1703 57.6726 41.6904 179.4505 79 R 3.9278 7.9726 118.2406 59.8053 30.0865 178.4509 80 T 3.8469 7.8526 115.2862 66.8217 68.4038 176.1028 81 F 4.2395 8.3715 122.5244 61.5774 39.1872 177.2091 82 S 4.0544 8.4915 113.2981 60.8473 62.7483 176.3384 83 I 3.9014 7.6794 123.6258 63.8683 36.6679 178.0558 84 L 4.0336 7.7623 120.0536 57.3805 41.5935 178.8255 85 N 4.2633 7.6198 116.2699 55.3643 38.3769 176.9592 86 R 4.0958 7.4398 118.6886 58.2216 30.0694 178.1778 87 K 3.9328 7.6668 119.4130 59.2544 32.1462 178.7110 88 A 4.0424 7.7583 121.2109 55.2634 18.2788 179.7564 89 I 3.8209 7.7421 117.7743 64.2937 36.8426 178.4093 90 D 4.4261 8.1272 119.7338 56.8991 41.0335 178.2626 91 F 4.2830 8.0027 121.2207 61.4902 39.3246 177.3317 92 L 4.0427 8.0123 117.0752 57.5774 41.8090 178.0805 93 L 4.9434 7.8503 117.2370 54.7950 42.0406 178.3141 94 Q 3.9802 8.2280 125.5907 59.6444 29.1047 177.5220 95 R 4.1804 7.5998 115.1709 55.6387 29.5739 179.9526 96 W 4.7913 8.1422 114.5186 58.3652 32.9622 175.8715 97 G 3.8207 7.7471 106.7272 44.6775 0.0000 175.0431 98 G 4.1204 8.3215 104.9912 45.4325 0.0000 174.8492 99 T 3.8511 8.4879 109.3612 65.1042 68.1887 177.0322 100 C 4.4610 8.3124 118.4012 59.1742 39.9090 175.2372 101 H 4.3305 8.0252 119.5387 58.9483 29.8700 176.8737 102 I 3.8252 7.7314 119.6490 63.4944 37.1320 177.3222 103 L 4.3921 8.6061 118.8346 56.1332 43.0213 177.0334 104 G 3.8481 7.9726 104.3965 43.9008 0.0000 171.9820 105 P 4.4172 0.0000 0.0000 64.8248 31.3970 177.7171 106 D 4.4975 8.0914 117.7877 56.3755 40.5274 176.7087 107 C 4.5223 8.0840 116.7669 58.2668 41.6810 175.8586 108 R 4.0449 7.8176 122.3883 58.8928 29.5174 182.3959 109 I 4.0195 7.1209 118.6854 61.8948 37.4973 175.1454 110 E 4.6730 8.2773 124.6683 53.4595 32.7655 172.8834 111 P 4.3613 0.0000 0.0000 62.7851 31.7922 176.4436 112 H 4.2411 8.6793 120.4248 55.5937 29.3198 174.9252 113 D 4.6141 7.8163 120.7080 53.0463 40.2565 175.5830 114 W 4.7048 8.3285 124.4937 56.8038 29.1864 177.7522 115 T 4.0156 8.0594 120.9356 67.5005 67.9114 177.1605 116 K 4.0217 8.0031 124.6692 59.8408 31.7309 180.3954 117 N 4.5822 8.2783 117.6309 56.5342 38.7180 177.5020 118 I 3.8186 8.2790 121.2367 64.5410 37.1247 178.7899 119 T 3.9157 8.2302 116.9848 66.8190 68.4547 176.3707 120 D 4.4168 8.7681 121.1281 57.3883 40.8568 178.9603 121 K 4.0446 7.9819 119.9713 59.5037 31.7596 179.0540 122 I 3.8657 7.8306 119.7624 64.1111 36.9795 177.9178 123 D 4.5390 8.1321 119.8700 56.5777 40.7169 178.6394 124 Q 3.9411 7.8711 119.9865 59.4203 29.2023 177.9867 125 I 4.1032 7.7585 120.7014 64.7714 37.0046 178.3769 126 I 3.7773 7.5940 119.4477 64.4561 36.8407 177.5845 127 H 4.1142 8.1677 118.2452 59.7610 29.8011 176.7673 128 D 4.2142 8.4941 119.3566 56.4227 40.6047 177.6086 129 F 4.7507 7.9345 115.7313 58.5580 40.9456 177.1378 130 V 3.9972 7.9362 110.3343 63.1868 32.2706 175.9470 131 D 4.2544 7.8581 119.1559 51.6600 41.6736 176.6471 132 K 4.2582 8.5188 123.6554 55.1262 31.6412 177.6704 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 3 Q 8.20 4.29 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 4 I 7.50 3.86 1.87 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 1.52 1.00 0.91 0.00 0.00 5 E 8.83 4.21 0.00 1.91 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 2.45 0.00 6 D 7.81 4.49 0.00 2.83 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 7 K 7.60 3.96 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 7.78 3.91 1.87 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 1.41 1.30 0.91 0.00 0.00 9 E 8.43 4.15 0.00 2.14 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 2.28 2.33 0.00 10 E 8.03 4.00 0.00 2.24 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 0.00 2.58 2.40 0.00 11 I 7.88 3.69 1.93 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 1.53 1.09 0.92 0.00 0.00 12 L 7.56 4.14 0.00 1.90 1.70 0.91 0.93 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 13 S 7.70 4.10 0.00 4.07 3.84 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 14 K 8.18 3.83 0.00 2.00 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 15 I 7.62 3.90 1.91 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 1.42 0.66 0.94 0.00 0.00 16 Y 7.67 4.25 0.00 3.09 3.04 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 0.00 0.00 0.00 17 H 8.31 4.19 0.00 3.32 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.36 4.03 1.87 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 1.52 0.81 0.95 0.00 0.00 19 E 7.67 4.13 0.00 2.20 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 0.00 2.30 2.41 0.00 20 N 7.64 4.24 0.00 2.76 2.74 0.00 0.00 6.90 7.92 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 21 E 8.09 3.88 0.00 1.94 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 2.48 2.32 0.00 22 I 7.33 3.60 2.03 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 1.70 1.18 0.90 0.00 0.00 23 A 7.68 3.96 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 24 R 8.02 3.89 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 25 I 8.37 3.66 1.98 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 1.51 0.56 0.90 0.00 0.00 26 K 8.03 3.94 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 27 K 7.82 4.17 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 L 7.85 4.22 0.00 1.68 1.74 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.05 4.06 1.87 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 1.45 0.73 0.91 0.00 0.00 30 G 7.91 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 0.00 0.00 0.00 0.00 31 E 8.06 4.18 0.00 1.94 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 2.24 2.20 0.00 32 A 7.25 4.12 1.44 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 0.00 0.00 *51 D 7.60 5.03 0.00 2.72 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 52 G 7.85 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.96 4.12 0.00 1.77 1.71 0.93 0.77 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 54 I 7.41 3.86 1.87 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 1.41 0.73 0.91 0.00 0.00 55 E 8.05 4.20 0.00 2.03 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 0.00 2.35 2.37 0.00 56 G 8.35 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 57 L 7.77 3.97 0.00 1.90 1.82 0.77 1.30 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 58 R 7.62 4.07 0.00 1.84 2.10 0.00 3.17 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 59 Q 7.71 4.34 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 60 L 7.74 3.91 0.00 1.86 1.54 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.80 3.97 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 62 N 7.44 4.33 0.00 3.08 2.91 0.00 0.00 7.02 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 63 E 8.07 3.96 0.00 2.03 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 2.41 2.56 0.00 64 T 7.90 3.86 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 1.20 0.00 0.00 65 T 7.39 3.90 4.60 0.00 0.00 0.00 0.00 0.00 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 66 Q 7.94 4.20 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 67 A 8.31 4.14 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 68 L 8.23 4.25 0.00 1.93 1.79 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.82 4.18 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 70 L 7.86 4.09 0.00 1.66 1.50 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.93 4.20 0.00 3.28 3.04 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 0.00 0.00 0.00 72 L 8.14 3.92 0.00 1.80 1.88 1.01 1.50 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 73 R 7.92 3.89 0.00 1.82 1.92 0.00 3.33 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 74 A 8.00 4.20 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 75 T 8.71 3.93 4.64 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 1.32 0.00 0.00 76 T 8.09 4.15 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 1.35 0.00 0.00 77 E 8.01 4.03 0.00 2.17 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 0.00 2.33 2.57 0.00 78 L 8.02 4.12 0.00 1.95 1.81 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.97 3.93 0.00 2.11 2.12 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 80 T 7.85 3.85 4.42 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 1.29 0.00 0.00 81 F 8.37 4.24 0.00 3.19 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 82 S 8.49 4.05 0.00 4.08 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 83 I 7.68 3.90 2.03 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 1.53 1.03 0.91 0.00 0.00 84 L 7.76 4.03 0.00 1.97 1.57 0.91 0.71 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 85 N 7.62 4.26 0.00 2.76 2.72 0.00 0.00 6.50 7.55 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 86 R 7.44 4.10 0.00 1.94 2.03 0.00 3.27 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 87 K 7.67 3.93 0.00 1.85 2.00 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 88 A 7.76 4.04 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 89 I 7.74 3.82 1.92 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 1.51 0.93 0.90 0.00 0.00 90 D 8.13 4.43 0.00 2.92 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 91 F 8.00 4.28 0.00 3.14 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 92 L 8.01 4.04 0.00 1.81 1.88 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.85 4.94 0.00 1.83 1.79 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.23 3.98 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 95 R 7.60 4.18 0.00 1.87 1.78 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 96 W 8.14 4.79 0.00 3.58 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 97 G 7.75 3.82 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 0.00 98 G 8.32 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 99 T 8.49 3.85 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 0.00 100 C 8.31 4.46 0.00 3.01 3.21 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 0.00 101 H 8.03 4.33 0.00 3.25 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.73 3.83 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.82 0.79 0.00 0.00 103 L 8.61 4.39 0.00 1.63 1.69 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.97 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.42 0.00 2.17 2.11 0.00 3.60 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 2.17 0.00 106 D 8.09 4.50 0.00 2.68 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 0.00 107 C 8.08 4.52 0.00 3.16 3.27 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 0.00 108 R 7.82 4.04 0.00 1.93 1.88 0.00 3.27 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 109 I 7.12 4.02 2.05 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 1.19 0.83 0.92 0.00 0.00 110 E 8.28 4.67 0.00 1.83 1.69 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 2.16 2.30 0.00 111 P 0.00 4.36 0.00 2.12 2.05 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 112 H 8.68 4.24 0.00 2.54 2.36 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.82 4.61 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 8.33 4.70 0.00 3.47 3.21 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 0.00 115 T 8.06 4.02 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 0.00 116 K 8.00 4.02 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 117 N 8.28 4.58 0.00 3.23 3.10 0.00 0.00 7.09 7.32 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 0.00 118 I 8.28 3.82 2.03 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 1.56 1.44 0.96 0.00 0.00 119 T 8.23 3.92 4.57 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 1.24 0.00 0.00 120 D 8.77 4.42 0.00 2.90 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 0.00 121 K 7.98 4.04 0.00 1.85 1.82 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 122 I 7.83 3.87 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.95 0.00 0.00 123 D 8.13 4.54 0.00 2.97 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 0.00 124 Q 7.87 3.94 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 125 I 7.76 4.10 1.96 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 1.68 0.73 1.02 0.00 0.00 126 I 7.59 3.78 2.06 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 1.45 0.73 0.95 0.00 0.00 127 H 8.17 4.11 0.00 3.17 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.49 4.21 0.00 2.63 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 0.00 0.00 0.00 129 F 7.93 4.75 0.00 3.16 3.04 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 0.00 0.00 0.00 130 V 7.94 4.00 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 0.96 0.00 0.00 131 D 7.86 4.25 0.00 2.64 2.46 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 0.00 132 K 8.52 4.26 0.00 1.97 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.