NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4768 8.1927 116.8048 58.7639 65.3206 175.6457 4 F 3.9752 8.2985 121.5946 60.9014 39.3104 173.3811 5 E 3.8292 8.6120 117.9916 59.7172 29.7296 178.7814 6 Q 3.8915 8.0212 118.4460 58.9070 29.2093 177.6604 7 A 3.9425 8.2347 122.1908 55.3871 18.3804 179.6026 8 I 3.4517 7.5444 118.3224 64.7155 37.0821 178.7119 9 T 3.7146 7.6660 116.4252 66.6711 68.2869 176.3759 10 Q 3.9498 8.1075 121.2398 59.0103 29.1247 177.9061 11 L 4.2094 8.0524 121.3076 58.4721 42.1108 178.9538 12 F 4.0896 8.8542 118.0291 60.7744 38.9427 177.7533 13 Q 3.9460 8.3747 117.7228 59.0597 28.2653 178.7868 14 Q 4.1348 8.1752 118.3567 58.1736 28.7665 177.6066 15 L 4.5118 7.6754 117.6599 53.4033 42.2394 176.4516 16 S 3.7620 7.7369 113.3995 59.8108 60.9051 172.1281 17 L 4.6689 8.2528 118.7534 52.7317 43.7981 176.7169 18 S 4.3011 8.4902 116.9854 57.8101 62.8990 173.7687 19 I 4.0121 8.3370 129.0895 59.8161 36.5395 174.0241 20 P 4.3548 0.0000 0.0000 62.3468 31.4413 175.8367 21 D 4.3631 8.3675 118.9108 56.2408 39.2779 176.4906 22 T 4.4939 7.4920 110.1108 58.6555 70.8915 173.7734 23 I 4.0677 8.1458 126.2216 59.9025 37.4204 175.5140 24 E 4.2094 8.5881 126.7949 54.9732 30.2675 175.5017 25 P 3.9227 0.0000 0.0000 65.0446 31.2232 176.3956 26 V 4.6510 7.2917 118.1388 61.0448 33.4922 175.1309 27 I 4.5870 9.4077 129.0470 59.7205 39.8825 174.7983 28 G 4.3635 8.6741 111.6084 44.4124 0.0000 172.3627 29 V 4.3846 8.7838 124.8616 60.8900 34.7916 173.8311 30 K 4.7959 8.6822 129.4174 54.8151 33.6780 175.5376 31 V 4.1743 8.6476 128.4747 61.7270 33.2458 175.3704 32 G 3.8080 8.1997 119.4320 47.0547 0.0000 174.3313 33 E 3.9720 8.4002 122.3532 56.1888 30.1977 175.9669 34 F 4.5624 7.7163 120.2975 56.3277 39.0636 174.6593 35 A 4.6131 8.5988 128.9418 51.4401 19.0678 175.8983 36 C 4.8608 9.0136 120.9029 58.8099 31.0366 172.8904 37 H 5.1519 8.7603 120.1574 53.9650 31.2949 173.4075 38 I 5.0903 8.7088 123.1760 60.0259 40.5393 174.5067 39 T 4.7131 9.1836 119.7539 61.3433 71.6421 171.6776 40 E 4.7723 7.8504 126.2598 55.7213 30.2884 175.0781 41 H 4.4073 8.6660 124.3066 55.1215 33.4958 172.3449 42 P 4.3824 0.0000 0.0000 61.8348 32.8020 175.3095 43 V 3.7110 8.0302 117.8658 64.7313 31.8753 176.8166 44 G 4.0004 9.9381 114.8421 45.4853 0.0000 172.3591 45 Q 4.9800 8.0007 118.3480 53.9730 32.9490 174.3733 46 I 4.7736 9.0596 125.6662 60.1744 38.7231 174.3110 47 L 5.3184 9.5325 130.7725 53.6391 44.4344 174.9880 48 M 5.5835 9.0459 125.1716 53.6980 35.8215 174.5274 49 F 5.6384 8.8688 116.8501 56.3654 42.1350 172.8621 50 T 4.9120 9.3425 113.3792 61.0761 71.4485 172.7385 51 L 5.0641 8.5655 126.1006 52.5806 41.9782 174.8116 52 P 4.7331 0.0000 0.0000 62.1265 32.6393 175.7599 53 S 4.8251 8.5498 114.5832 56.7314 64.6442 173.8415 54 L 4.8215 8.2619 124.4774 53.0136 43.7589 177.2932 55 D 4.6596 8.8395 120.2699 54.6611 40.3669 176.9260 56 N 4.5033 8.5033 122.6659 55.2082 37.8692 176.2863 57 N 4.7630 7.7696 115.4108 52.3149 36.0920 172.9766 58 N 4.8190 7.7167 115.6996 50.1422 40.6412 176.1088 59 E 4.1491 8.7545 122.7889 55.8914 31.5945 178.1754 60 K 3.9278 8.4691 120.4884 59.8561 32.2521 179.2713 61 E 3.9479 8.2663 118.2571 59.9155 29.1027 179.5719 62 T 3.8581 7.7381 113.8005 66.7681 69.1542 176.1149 63 L 4.0327 7.7722 120.4645 58.0367 41.5684 179.7602 64 L 4.1950 8.2331 119.0023 57.4012 41.2680 179.4812 65 S 4.0772 8.2263 114.3048 61.5763 62.5428 176.2243 66 H 4.1667 7.8073 117.6934 57.9706 28.4358 176.2480 67 N 4.6449 7.8801 116.6804 52.1161 38.9781 175.1689 68 I 3.6186 6.5675 121.2021 60.3724 38.6351 175.6195 69 F 4.4994 7.5464 120.4490 57.0575 38.4938 174.3091 70 S 4.7203 8.1322 114.8354 57.3312 65.4309 173.6181 71 Q 4.0192 8.7392 117.1525 58.2468 28.9179 175.2357 72 D 4.7837 8.0785 119.6874 52.1133 41.6931 176.7172 73 I 3.9330 8.3969 120.6435 62.8253 37.8185 176.4829 74 L 4.4144 7.9772 120.1366 54.2426 41.8896 176.4824 75 K 3.9545 7.7287 121.7873 55.5329 32.3496 174.7943 76 P 4.4933 0.0000 0.0000 63.0999 32.3642 175.4007 77 I 4.2129 8.1485 122.1787 59.3703 39.6231 174.3229 78 L 4.9726 8.3387 128.8328 54.1957 43.3309 175.4705 79 S 4.9454 9.5494 120.2762 56.9040 67.1509 172.0049 80 W 5.1969 8.7957 128.0775 55.9190 33.7364 174.6821 81 D 4.6025 8.2659 127.2324 52.5461 40.6640 176.5804 82 E 4.1805 8.9703 126.6573 59.3508 29.9973 179.4869 83 V 3.7015 7.9002 117.8274 65.8553 31.6148 177.5061 84 G 3.5695 8.1996 106.7203 45.9092 0.0000 173.1251 85 G 3.8352 9.0142 107.7468 45.7571 0.0000 172.2676 86 H 4.0313 6.1657 112.1653 52.9468 32.2641 172.2479 87 P 4.5677 0.0000 0.0000 62.6968 32.6060 175.7612 88 V 4.6360 8.9151 121.0189 61.2660 34.9541 173.5759 89 L 5.3724 9.1151 130.4174 53.1390 44.2916 175.0154 90 W 5.9904 8.7115 122.2091 55.3943 32.2387 173.0632 91 N 5.3572 9.3529 117.7202 51.8085 40.9541 172.8535 92 R 5.3767 8.4514 117.6291 55.6218 33.1834 173.6286 93 Q 4.8679 8.9143 122.3431 53.7580 32.6883 172.1236 94 P 4.9642 0.0000 0.0000 62.7473 32.1306 177.2957 95 L 4.0353 8.8883 125.3886 57.5975 42.2171 177.2569 96 N 4.7333 8.1091 113.5170 53.3000 37.7481 174.8534 97 N 4.9562 7.7363 115.1437 53.1320 39.5289 174.6505 98 L 4.3413 8.0083 118.9455 54.4126 43.1665 174.9071 99 D 4.4187 8.4998 116.9415 53.7602 41.1141 177.3597 100 N 4.8182 8.4463 116.4218 57.2708 38.6833 176.5500 101 N 4.7576 8.0826 113.0326 53.4735 38.7808 177.1407 102 S 4.1653 8.3354 118.7858 61.8875 63.0624 176.5473 103 L 4.1498 7.9164 120.9827 57.8718 41.4205 178.8632 104 Y 3.9046 8.0396 119.1232 61.0173 38.8158 178.1579 105 T 4.0271 8.3182 116.7685 66.6261 68.5539 176.5609 106 Q 3.9823 8.3887 121.7519 59.0833 29.1006 178.1362 107 L 3.9118 8.0145 121.4233 58.0146 42.1164 178.5528 108 E 3.8529 8.0492 119.3609 59.5392 29.5769 178.7346 109 M 4.0560 8.2010 118.8272 58.0186 31.9249 178.5404 110 L 3.8578 7.8968 120.5726 58.2569 42.3889 179.2244 111 V 3.2824 7.7158 118.1087 66.0176 31.4094 178.0252 112 Q 4.0700 8.2849 118.0541 58.6782 28.3019 178.7660 113 G 3.5438 7.9384 105.8032 47.7405 0.0000 175.2714 114 A 3.9188 7.7461 123.2829 54.7061 18.1846 179.5789 115 E 4.0723 7.9232 117.0547 59.7175 29.3880 179.7671 116 R 4.0923 7.8692 116.3646 58.5268 30.1479 178.4217 117 L 4.2465 7.5434 117.3751 57.1932 42.1367 176.1414 118 Q 4.5924 7.8795 118.0908 53.2594 31.2616 172.6565 *126 P 4.1528 0.0000 0.0000 63.4484 31.4503 175.6997 127 R 4.6155 8.4356 122.1665 53.9934 32.7384 175.6395 128 S 4.6536 8.7402 117.7360 57.1463 63.8829 174.1010 129 F 4.5492 8.7882 119.7106 56.7396 37.7717 174.8010 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 S 8.19 4.48 0.00 3.97 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 4 F 8.30 3.98 0.00 3.18 3.07 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 5 E 8.61 3.83 0.00 2.02 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 2.52 2.38 0.00 6 Q 8.02 3.89 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 7 A 8.23 3.94 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 8 I 7.54 3.45 1.38 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.16 0.24 0.00 0.00 9 T 7.67 3.71 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 1.18 0.00 0.00 10 Q 8.11 3.95 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 11 L 8.05 4.21 0.00 1.89 1.97 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.85 4.09 0.00 3.23 3.30 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 0.00 13 Q 8.37 3.95 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.75 0.00 14 Q 8.18 4.13 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 15 L 7.68 4.51 0.00 1.49 1.56 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.74 3.76 0.00 4.03 3.93 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 17 L 8.25 4.67 0.00 1.40 1.34 -0.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.49 4.30 0.00 3.87 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 19 I 8.34 4.01 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.75 0.00 0.00 20 P 0.00 4.35 0.00 2.01 2.02 0.00 3.59 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 21 D 8.37 4.36 0.00 2.77 2.78 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 22 T 7.49 4.49 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 23 I 8.15 4.07 2.20 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.86 0.00 0.00 24 E 8.59 4.21 0.00 2.02 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 2.40 2.32 0.00 25 P 0.00 3.92 0.00 2.14 2.12 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 V 7.29 4.65 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 0.88 0.00 0.00 0.96 0.00 0.00 27 I 9.41 4.59 1.97 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 1.34 0.57 1.11 0.00 0.00 28 G 8.67 4.36 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 0.00 29 V 8.78 4.38 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 0.84 0.00 0.00 0.85 0.00 0.00 30 K 8.68 4.80 0.00 1.73 1.63 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 31 V 8.65 4.17 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 0.86 0.00 0.00 32 G 8.20 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.40 3.97 0.00 1.73 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 0.00 1.47 1.47 0.00 34 F 7.72 4.56 0.00 3.34 2.96 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 0.00 35 A 8.60 4.61 1.21 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 0.00 0.00 36 C 9.01 4.86 0.00 2.92 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 37 H 8.76 5.15 0.00 1.47 2.75 0.00 5.75 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 38 I 8.71 5.09 1.97 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 1.15 0.86 1.04 0.00 0.00 39 T 9.18 4.71 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 1.34 0.00 0.00 40 E 7.85 4.77 0.00 1.69 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 2.25 2.42 0.00 41 H 8.67 4.41 0.00 3.06 3.11 0.00 6.00 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.38 0.00 2.18 2.05 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 43 V 8.03 3.71 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 0.83 0.00 0.00 0.90 0.00 0.00 44 G 9.94 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 45 Q 8.00 4.98 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 46 I 9.06 4.77 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.58 1.10 0.00 0.00 47 L 9.53 5.32 0.00 1.92 1.78 0.99 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 48 M 9.05 5.58 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 49 F 8.87 5.64 0.00 3.34 3.26 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 50 T 9.34 4.91 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 1.20 0.00 0.00 51 L 8.57 5.06 0.00 1.56 1.60 1.06 0.77 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 52 P 0.00 4.73 0.00 2.23 2.07 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 53 S 8.55 4.83 0.00 3.95 3.89 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 54 L 8.26 4.82 0.00 1.79 1.62 1.10 1.17 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 55 D 8.84 4.66 0.00 2.70 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 56 N 8.50 4.50 0.00 2.91 2.96 0.00 0.00 6.90 7.61 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 57 N 7.77 4.76 0.00 2.71 2.80 0.00 0.00 6.68 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 58 N 7.72 4.82 0.00 2.76 2.77 0.00 0.00 6.37 7.66 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 59 E 8.75 4.15 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 60 K 8.47 3.93 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 61 E 8.27 3.95 0.00 2.00 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 2.40 2.41 0.00 62 T 7.74 3.86 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 1.25 0.00 0.00 63 L 7.77 4.03 0.00 1.84 1.73 1.00 0.48 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 64 L 8.23 4.19 0.00 1.68 1.70 0.91 0.66 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 65 S 8.23 4.08 0.00 4.02 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 66 H 7.81 4.17 0.00 3.34 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.88 4.64 0.00 2.79 2.80 0.00 0.00 6.92 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 68 I 6.57 3.62 1.65 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.27 0.77 0.00 0.00 69 F 7.55 4.50 0.00 3.12 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 70 S 8.13 4.72 0.00 3.96 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 71 Q 8.74 4.02 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 72 D 8.08 4.78 0.00 2.70 2.58 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 73 I 8.40 3.93 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.93 0.00 0.00 74 L 7.98 4.41 0.00 1.80 1.75 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.73 3.95 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.34 7.81 76 P 0.00 4.49 0.00 2.01 1.97 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 77 I 8.15 4.21 0.56 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 0.75 0.22 0.71 0.00 0.00 78 L 8.34 4.97 0.00 1.61 1.56 1.04 0.87 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 S 9.55 4.95 0.00 4.04 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 0.00 80 W 8.80 5.20 0.00 3.45 2.97 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 81 D 8.27 4.60 0.00 2.57 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 0.00 0.00 0.00 82 E 8.97 4.18 0.00 2.05 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 0.00 2.46 2.44 0.00 83 V 7.90 3.70 2.17 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 0.71 0.00 0.00 0.91 0.00 0.00 84 G 8.20 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 85 G 9.01 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 0.00 0.00 0.00 86 H 6.17 4.03 0.00 2.86 3.16 0.00 5.46 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 87 P 0.00 4.57 0.00 2.15 2.27 0.00 3.41 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 88 V 8.92 4.64 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 0.98 0.00 0.00 0.85 0.00 0.00 89 L 9.12 5.37 0.00 1.80 1.53 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.71 5.99 0.00 3.69 3.23 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 91 N 9.35 5.36 0.00 2.85 2.91 0.00 0.00 6.68 7.05 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 92 R 8.45 5.38 0.00 2.23 2.14 0.00 3.23 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 93 Q 8.91 4.87 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 94 P 0.00 4.96 0.00 2.32 2.25 0.00 3.74 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 2.10 1.99 0.00 95 L 8.89 4.04 0.00 1.66 1.79 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.11 4.73 0.00 2.87 2.93 0.00 0.00 5.83 8.04 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 97 N 7.74 4.96 0.00 2.70 2.83 0.00 0.00 6.96 7.67 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 98 L 8.01 4.34 0.00 1.66 1.67 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.50 4.42 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 0.00 100 N 8.45 4.82 0.00 2.74 2.89 0.00 0.00 7.26 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 0.00 101 N 8.08 4.76 0.00 2.81 2.84 0.00 0.00 7.02 7.57 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 0.00 102 S 8.34 4.17 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.15 0.00 1.75 1.76 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.04 3.90 0.00 3.21 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 0.00 105 T 8.32 4.03 4.44 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 1.26 0.00 0.00 106 Q 8.39 3.98 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 107 L 8.01 3.91 0.00 1.80 1.61 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.05 3.85 0.00 2.11 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 2.31 2.33 0.00 109 M 8.20 4.06 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 110 L 7.90 3.86 0.00 1.87 1.80 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.72 3.28 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 1.03 0.00 0.00 0.94 0.00 0.00 112 Q 8.28 4.07 0.00 2.13 2.10 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 2.54 0.00 113 G 7.94 3.54 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 0.00 0.00 0.00 114 A 7.75 3.92 0.36 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 0.00 115 E 7.92 4.07 0.00 2.21 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 2.63 2.64 0.00 116 R 7.87 4.09 0.00 1.94 2.01 0.00 3.13 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 117 L 7.54 4.25 0.00 1.79 1.74 0.91 1.22 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 0.00 118 Q 7.88 4.59 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 *126 P 0.00 4.15 0.00 2.22 2.16 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 1.90 2.01 0.00 127 R 8.44 4.62 0.00 1.80 1.89 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 128 S 8.74 4.65 0.00 4.00 3.92 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 0.00 129 F 8.79 4.55 0.00 3.14 2.97 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 * Residues marked with a * may have inaccurate shift predictions.