NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5924 8.4898 122.9785 51.8531 19.7631 177.2933 3 S 4.1811 8.5020 118.4931 57.0482 65.1869 173.2497 4 L 3.8556 8.4531 123.9642 58.2796 42.1064 180.0497 5 K 3.8522 7.8885 118.8373 59.7158 31.7259 177.8355 6 E 3.9770 8.1303 119.3025 59.5449 29.3802 178.9939 7 I 3.8012 7.8176 119.6503 64.2661 37.1142 178.1844 8 I 3.7956 8.3282 121.0694 64.7662 37.0005 178.1981 9 D 4.4540 8.6251 119.7339 57.4949 40.7109 178.6546 10 E 4.0234 8.3966 119.1002 59.5904 29.4787 179.5474 11 L 4.2009 8.5215 119.3925 57.3897 41.6514 179.8579 12 G 3.5772 8.5749 106.1633 47.5743 0.0000 175.4357 13 K 3.8615 8.1300 122.7163 59.3187 32.1610 178.4674 14 Q 4.0547 8.2092 119.2316 59.2748 29.0422 178.0750 15 A 4.2927 8.0505 123.1121 54.4406 18.1153 179.5829 16 K 3.8689 7.9630 117.4398 59.7541 32.4088 178.8079 17 E 4.1207 8.1761 117.6016 58.4292 28.2190 178.1777 18 Q 4.4427 7.9649 115.9447 54.2539 29.9871 175.2248 19 N 4.2001 8.1001 117.3977 53.6574 38.0783 173.0627 20 K 4.7001 7.2955 111.0262 54.6734 36.9623 175.1244 21 I 4.0052 8.4107 121.1856 61.8657 37.7542 175.4459 22 A 4.8016 8.7846 128.3224 50.2605 21.2780 175.4018 23 S 5.2728 8.6142 117.5914 57.0507 67.1749 173.5492 24 R 4.6986 8.9113 121.3265 54.9990 33.8698 174.1905 25 I 4.3665 8.4296 126.9330 61.5064 37.8812 175.2663 26 L 4.2958 8.8135 128.0921 53.4899 42.3436 178.2998 27 K 4.2579 8.3548 126.0943 55.0774 31.0646 175.2358 28 I 3.9548 7.3144 121.9350 60.1062 38.1570 175.9496 29 K 4.0403 8.5218 127.1641 57.8156 32.5737 176.8246 30 G 4.0021 8.8881 114.0941 45.3140 0.0000 173.5522 31 I 4.1056 6.9302 120.1092 61.2773 37.4921 176.0512 32 K 4.2139 9.7037 126.2201 58.4375 32.5308 177.8316 33 R 5.0411 8.0318 114.3283 56.5005 32.2254 175.7253 34 I 4.1256 8.4512 118.2501 61.2120 38.0575 175.8732 35 V 4.3427 9.0941 126.8416 61.3402 33.5861 174.3658 36 V 4.8536 8.3568 127.6636 61.3820 33.6726 173.9781 37 Q 5.0381 9.1307 128.4318 54.2689 32.5596 173.2689 38 L 5.1757 9.1542 128.4418 53.7717 44.4077 174.7148 39 N 5.5575 9.3558 122.6262 51.3965 42.7775 172.9886 40 A 4.3197 9.0414 125.2204 49.9690 21.4853 175.5372 41 V 4.4414 8.5264 123.6908 60.5335 33.7491 173.1546 42 P 4.5335 0.0000 0.0000 62.8011 31.6271 174.6651 43 Q 4.4442 9.4508 120.0721 55.6465 32.0972 176.2745 44 D 4.5317 7.8662 119.5339 55.8180 43.0495 177.4375 *46 K 4.1482 7.6025 116.8475 56.1948 33.8741 174.9807 47 I 4.8257 8.2903 123.8316 59.5322 39.7410 175.1244 48 R 4.8641 8.8809 125.4144 54.6017 33.8925 174.1870 49 Y 5.1842 8.6664 120.3601 56.5229 40.7301 174.9320 50 S 5.3406 8.9648 115.7432 57.0571 67.2666 172.4089 51 L 5.3628 8.7814 120.8172 53.3869 43.4501 175.9856 52 T 4.8288 9.0475 113.8136 59.7523 71.9764 172.8938 53 I 4.9665 8.0538 116.0390 59.9007 40.4117 174.3020 54 H 4.9249 8.7621 119.6751 54.4961 33.7581 173.5103 55 S 4.7955 8.5861 115.7066 57.6272 64.7982 175.2898 56 Q 4.1539 8.5758 120.0417 58.8587 28.9093 178.3119 57 N 4.4508 8.1875 115.2784 55.8657 39.9739 174.6893 58 N 5.1015 8.3290 114.3867 51.1827 39.2339 174.4414 59 F 4.6714 8.3099 122.0562 60.7482 40.0828 176.3710 60 R 3.9987 7.9443 117.0159 57.8405 30.3078 176.7718 61 K 4.2884 7.4268 116.8436 55.1987 32.9441 176.2035 62 Q 4.0604 8.1990 121.2280 55.6744 29.5285 175.3566 63 I 3.7192 8.2216 125.2388 60.7951 38.6402 175.3165 64 G 3.9757 8.4028 116.5737 43.7602 0.0000 173.2985 65 I 4.1817 8.1221 127.2193 60.8705 38.1499 175.5156 66 T 4.7787 8.7433 112.9386 58.4016 72.1367 173.1842 67 P 4.3045 0.0000 0.0000 65.6235 30.9261 178.7915 68 Q 4.1727 7.4690 115.5481 58.1485 28.8854 177.3203 69 D 4.6322 8.1687 118.8189 54.4344 40.9769 177.7593 70 A 3.9917 7.7711 122.9887 55.3508 18.4319 179.5590 71 E 3.8827 8.1175 117.0862 59.4258 29.7321 178.2876 72 D 4.3962 8.1487 118.4501 57.6027 40.9302 178.7247 73 L 3.9906 7.9947 119.1027 57.8716 41.6009 179.7895 74 K 4.0074 8.1331 118.3017 59.5489 32.0028 179.4518 75 L 4.0827 8.0186 119.2380 57.5820 41.4275 179.6847 76 I 3.7588 8.1230 119.8906 64.3354 37.0921 177.9757 77 A 4.0508 8.1275 121.6330 55.6237 18.1348 179.6321 78 E 3.9648 8.4819 116.8585 59.2766 29.3812 179.2345 79 F 4.2374 8.4681 120.7754 61.4718 39.3913 177.1358 80 L 3.9650 8.3997 118.5859 58.0122 41.2090 179.5024 81 E 3.9780 8.0166 117.4716 59.1442 29.4496 179.0234 82 K 3.9013 7.8954 118.9895 58.4962 32.4696 177.4210 83 Y 4.5824 7.3076 114.5069 57.3069 38.7239 177.1593 84 S 4.1040 7.7764 115.6617 61.7658 62.2642 175.9846 85 D 4.3397 8.0282 120.6338 57.2839 40.6427 178.0633 86 F 4.3554 8.3107 120.5914 61.5413 39.3360 176.7413 87 L 3.6155 8.3729 118.6898 58.0681 41.3288 179.4538 88 N 4.5298 8.0910 114.3011 55.6182 38.5121 176.9198 89 E 4.1919 7.7095 119.8385 58.9365 29.8789 177.6426 90 Y 4.1971 7.7357 118.5563 58.5024 39.1630 175.1308 91 V 4.3847 7.5760 110.9337 59.4350 36.0947 174.1351 92 K 4.7611 8.2576 119.1466 54.9160 34.8479 175.9999 93 F 5.1770 8.7999 122.0671 55.9511 41.2857 175.7838 94 T 3.9527 8.4340 117.7450 63.3460 68.9010 172.9290 95 P 4.4341 0.0000 0.0000 63.2286 31.3968 176.0537 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 A 8.49 4.59 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 3 S 8.50 4.18 0.00 4.06 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 4 L 8.45 3.86 0.00 1.42 1.43 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.89 3.85 0.00 1.55 1.65 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.04 7.81 6 E 8.13 3.98 0.00 2.09 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 0.00 2.33 2.38 0.00 7 I 7.82 3.80 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.97 0.00 0.00 8 I 8.33 3.80 2.16 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 1.18 0.73 0.82 0.00 0.00 9 D 8.63 4.45 0.00 2.89 2.80 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 10 E 8.40 4.02 0.00 2.19 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 2.36 2.62 0.00 11 L 8.52 4.20 0.00 1.87 1.77 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.57 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.13 3.86 0.00 1.91 2.11 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.50 7.81 14 Q 8.21 4.05 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 15 A 8.05 4.29 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 16 K 7.96 3.87 0.00 1.85 1.99 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 E 8.18 4.12 0.00 1.99 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 2.34 2.40 0.00 18 Q 7.96 4.44 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.27 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 19 N 8.10 4.20 0.00 2.80 2.83 0.00 0.00 6.92 6.70 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 20 K 7.30 4.70 0.00 1.77 1.83 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.41 7.81 21 I 8.41 4.01 1.86 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 1.24 0.50 0.94 0.00 0.00 22 A 8.78 4.80 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 23 S 8.61 5.27 0.00 3.75 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 24 R 8.91 4.70 0.00 1.86 1.75 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 25 I 8.43 4.37 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.92 0.00 0.00 26 L 8.81 4.30 0.00 1.33 1.44 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.35 4.26 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 28 I 7.31 3.95 1.74 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.91 0.00 0.00 29 K 8.52 4.04 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 G 8.89 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 31 I 6.93 4.11 1.86 0.00 0.00 0.81 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 0.57 1.08 0.00 0.00 32 K 9.70 4.21 0.00 1.70 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 33 R 8.03 5.04 0.00 1.73 1.89 0.00 3.07 0.00 0.00 4.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 34 I 8.45 4.13 1.88 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 1.12 0.78 0.91 0.00 0.00 35 V 9.09 4.34 2.43 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 1.12 0.00 0.00 1.11 0.00 0.00 36 V 8.36 4.85 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 0.84 0.00 0.00 0.86 0.00 0.00 37 Q 9.13 5.04 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 38 L 9.15 5.18 0.00 1.86 1.60 1.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.36 5.56 0.00 2.65 2.64 0.00 0.00 6.47 8.10 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 40 A 9.04 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.53 4.44 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 0.99 0.00 0.00 0.87 0.00 0.00 42 P 0.00 4.53 0.00 1.93 1.90 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 43 Q 9.45 4.44 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 44 D 7.87 4.53 0.00 2.61 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 *46 K 7.60 4.15 0.00 1.71 1.74 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 47 I 8.29 4.83 1.79 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 1.23 0.53 0.46 0.00 0.00 48 R 8.88 4.86 0.00 1.60 1.74 0.00 3.43 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 1.70 0.00 49 Y 8.67 5.18 0.00 2.05 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.96 5.34 0.00 3.97 4.02 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 51 L 8.78 5.36 0.00 1.65 1.71 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 T 9.05 4.83 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 1.23 0.00 0.00 53 I 8.05 4.97 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.89 0.00 0.00 54 H 8.76 4.92 0.00 3.03 2.72 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.59 4.80 0.00 4.04 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 56 Q 8.58 4.15 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 57 N 8.19 4.45 0.00 2.69 2.87 0.00 0.00 6.73 7.79 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 58 N 8.33 5.10 0.00 2.76 2.69 0.00 0.00 6.56 7.72 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 59 F 8.31 4.67 0.00 2.95 3.13 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 60 R 7.94 4.00 0.00 1.88 1.98 0.00 3.34 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 61 K 7.43 4.29 0.00 1.86 1.75 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.38 7.81 62 Q 8.20 4.06 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 63 I 8.22 3.72 1.81 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 1.33 0.92 0.86 0.00 0.00 64 G 8.40 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 65 I 8.12 4.18 1.87 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 1.46 0.57 0.96 0.00 0.00 66 T 8.74 4.78 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 1.21 0.00 0.00 67 P 0.00 4.30 0.00 2.18 2.14 0.00 3.60 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 2.11 2.18 0.00 68 Q 7.47 4.17 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 69 D 8.17 4.63 0.00 2.82 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 70 A 7.77 3.99 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 71 E 8.12 3.88 0.00 2.10 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 2.38 2.47 0.00 72 D 8.15 4.40 0.00 2.98 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 73 L 7.99 3.99 0.00 1.90 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.13 4.01 0.00 2.00 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 75 L 8.02 4.08 0.00 1.92 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.12 3.76 2.05 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 1.43 0.79 0.97 0.00 0.00 77 A 8.13 4.05 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 78 E 8.48 3.96 0.00 2.24 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 2.35 2.50 0.00 79 F 8.47 4.24 0.00 3.25 3.39 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 80 L 8.40 3.97 0.00 1.98 1.72 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.02 3.98 0.00 2.06 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 2.33 2.48 0.00 82 K 7.90 3.90 0.00 1.62 1.84 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.04 7.81 83 Y 7.31 4.58 0.00 2.80 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 84 S 7.78 4.10 0.00 4.00 3.87 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 85 D 8.03 4.34 0.00 2.77 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 86 F 8.31 4.36 0.00 3.08 3.32 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 87 L 8.37 3.62 0.00 1.96 1.94 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.09 4.53 0.00 2.79 2.91 0.00 0.00 7.12 7.23 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 89 E 7.71 4.19 0.00 2.09 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 2.50 2.51 0.00 90 Y 7.74 4.20 0.00 2.26 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 0.00 0.00 0.00 0.00 91 V 7.58 4.38 1.64 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 0.21 0.00 0.00 0.54 0.00 0.00 92 K 8.26 4.76 0.00 1.68 1.70 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 93 F 8.80 5.18 0.00 2.98 3.05 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 94 T 8.43 3.95 4.34 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 1.25 0.00 0.00 95 P 0.00 4.43 0.00 2.05 2.02 0.00 3.74 0.00 0.00 3.73 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 * Residues marked with a * may have inaccurate shift predictions.