NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 N 4.7519 8.4093 118.1029 53.0619 40.7426 173.3671 15 Y 4.7896 7.1005 114.6043 54.6359 41.0207 172.6936 16 F 4.8570 9.0644 122.1111 56.3547 42.4827 175.5827 17 Q 4.1487 8.0794 129.3879 54.6133 28.2716 175.1412 18 G 3.6299 8.2599 115.7249 48.0850 0.0000 172.1836 19 H 4.8860 7.6290 117.1103 54.6282 33.0543 171.4490 20 M 4.6884 8.4029 122.2354 53.4472 35.5656 173.7297 *22 Q 4.2726 8.3627 115.9272 55.8443 30.6235 174.8181 23 I 4.9976 8.3181 123.0433 59.8040 40.4761 174.3846 24 D 5.0702 9.4171 127.1869 52.5192 44.8158 175.2033 25 S 5.3584 8.8123 118.5504 57.1094 64.2572 173.5152 26 I 4.7378 8.8713 118.4278 58.9063 41.0013 173.9161 27 E 5.3434 8.7882 123.6479 54.6531 32.1152 175.2436 28 I 4.5672 8.9711 127.2318 60.6736 40.6921 175.6519 29 G 4.0672 9.8832 114.4103 46.6958 0.0000 174.3080 30 G 3.9479 8.5702 105.4107 45.1128 0.0000 174.1889 31 K 4.5138 8.0492 119.4373 54.3458 34.4404 175.0857 32 V 4.7298 7.8057 121.6997 61.9927 32.7837 174.5741 33 Y 5.0732 9.2330 124.1419 56.4445 42.8934 174.0666 34 Q 4.9445 9.3801 121.1752 54.4387 31.2273 174.3181 35 F 5.3268 9.4908 127.6226 56.5666 41.6587 174.1996 36 F 4.7486 7.8027 127.5834 56.0002 42.6808 173.3502 37 K 4.5507 7.0714 125.6232 54.8014 35.2211 175.0775 38 S 4.5891 8.7231 120.7461 56.5815 66.3149 172.9057 39 D 4.5156 8.1900 124.4266 54.8121 40.8988 174.8420 40 L 4.6906 8.7114 120.9083 55.3084 46.9696 178.2896 41 G 4.2240 8.0668 111.7301 45.5338 0.0000 173.9931 42 N 4.5996 9.1400 121.1527 54.1379 39.1860 174.5161 43 A 4.8228 7.8337 120.2278 49.4302 22.1844 173.7597 44 P 5.0057 0.0000 0.0000 62.3217 33.2776 174.8046 45 L 5.1314 8.9317 123.0395 53.3644 44.0219 175.0458 46 L 5.1854 8.5915 125.2400 54.6132 43.5083 174.6859 47 F 5.3495 8.5496 115.1729 55.9972 42.1628 172.8933 48 I 5.2809 9.4367 120.3014 59.5965 40.4547 174.4858 49 K 5.1638 9.9091 128.9391 54.7685 34.2694 175.3429 50 G 4.5767 9.2667 114.7224 44.2000 0.0000 173.9677 51 S 4.4557 8.7093 113.2538 60.1834 63.2790 175.1369 52 K 4.3751 7.2609 116.3741 57.3800 33.6063 175.5624 53 G 4.2900 8.0283 104.1710 46.1887 0.0000 171.6313 54 Y 5.5991 7.8975 116.3540 55.7482 42.0113 173.6234 55 A 5.6737 9.4994 121.4171 49.3220 23.4605 174.9762 *57 C 4.6828 7.7177 112.1363 57.9429 30.6884 174.6235 58 G 3.7405 8.6516 107.3133 48.7946 0.0000 174.2669 59 Y 4.3811 7.8502 115.8939 59.5656 38.2004 175.8304 60 L 4.1125 7.9120 123.1443 54.8586 42.9077 176.0497 61 N 4.7037 8.4961 124.1565 52.3625 40.9945 174.8010 *63 E 4.3514 8.4311 117.4534 56.7316 31.6932 178.8693 64 T 3.9142 8.0791 115.0115 66.6369 68.3779 176.9459 65 S 4.3694 8.1160 116.6126 61.8975 63.0102 176.4839 66 N 4.3312 8.1023 118.5872 55.9847 38.1489 177.0778 67 K 3.9061 7.9580 120.2911 59.4031 32.3720 178.3169 68 V 4.1812 7.6331 109.1117 60.4190 31.7857 176.1764 69 G 3.8538 7.7876 106.3964 46.6619 0.0000 174.0877 70 D 4.6422 8.1506 118.6457 53.7823 42.3629 176.8098 71 I 4.2648 8.1815 121.4518 60.1608 38.2430 174.6055 72 A 4.6071 8.7673 128.5116 50.0916 22.9898 175.0109 73 V 4.8623 8.3766 112.3657 59.4813 36.2703 174.6297 74 R 4.8445 8.9342 124.0751 54.9514 32.4098 175.3305 75 V 4.3517 8.0973 119.2690 59.8069 34.8869 176.2831 *77 G 3.6279 8.4275 108.8884 46.2066 0.0000 172.9208 78 V 4.5242 7.8064 111.6221 59.2837 33.9021 176.1205 79 K 4.6377 8.7142 119.4305 55.8473 34.2934 175.9395 80 T 4.8294 7.6225 106.9458 59.1554 72.0550 173.7860 81 L 3.6300 8.2078 123.2323 58.1469 42.4078 177.8119 82 D 4.4226 8.0217 117.9485 57.6574 40.9590 179.0739 83 D 4.5378 8.0210 115.7366 55.0364 40.3371 178.2107 *85 L 4.2333 7.9509 121.7856 54.6293 43.4108 178.5062 86 S 4.4827 7.7687 111.2312 58.5980 63.5389 174.1708 87 A 4.3899 7.6148 123.0933 51.4749 19.7674 176.6716 88 K 4.7564 8.3584 119.1624 54.8862 33.9910 177.0648 89 V 3.5570 8.9900 125.1139 63.7545 31.7820 176.5816 90 V 4.0368 8.8909 128.5432 64.5905 32.6081 176.0530 91 E 4.8783 8.0281 117.9074 54.4113 33.9366 174.4538 92 A 5.1541 8.4602 124.4385 49.8120 21.9493 176.1032 93 S 4.3848 8.9836 117.2353 58.1021 64.4495 175.6382 94 Q 3.9604 9.4327 120.1024 59.3549 28.3323 179.2789 95 E 4.0111 8.1526 118.7047 59.1013 29.4893 179.1294 96 A 3.9701 7.7582 120.6914 55.1712 18.5843 179.5404 97 Q 4.7974 8.2926 118.1572 58.5547 28.5114 179.0416 98 K 4.0813 7.9517 118.8677 58.7039 32.0195 178.6551 99 V 4.2545 6.9950 110.2535 60.9269 31.8501 176.8810 100 G 3.9744 8.0977 107.4561 45.0651 0.0000 174.0398 101 I 4.2750 7.7705 121.9568 60.5889 38.1181 174.8731 102 N 5.3275 9.1706 121.5929 50.3327 42.5852 172.1825 103 P 4.5550 0.0000 0.0000 64.3271 31.8425 175.9906 104 G 4.1616 9.0693 111.3815 46.1049 0.0000 174.4583 105 D 4.4264 8.0309 119.6680 54.0504 41.5615 175.6614 106 V 4.1675 8.1922 122.7918 62.1040 32.6032 176.1109 107 L 3.8819 8.8500 129.7349 58.7446 41.6133 179.1865 108 R 3.8097 7.8226 116.7655 59.5705 29.9879 177.5864 109 N 4.6336 8.1088 114.2518 54.5870 39.0102 175.8715 110 V 4.4403 7.7828 111.7695 59.8682 33.8998 177.0876 111 I 3.6559 7.8026 121.2551 63.9814 37.4048 177.0551 112 D 4.6941 8.1083 120.9646 55.6502 38.8101 177.8698 113 K 4.3288 7.9885 117.1800 57.1984 32.5956 177.7852 114 L 4.6702 8.4374 119.8792 54.6147 42.1233 176.6874 115 G 3.6675 7.8720 113.1869 45.5397 0.0000 173.6548 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 14 N 8.41 4.75 0.00 2.82 3.02 0.00 0.00 6.71 6.57 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 15 Y 7.10 4.79 0.00 3.09 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 16 F 9.06 4.86 0.00 2.94 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 17 Q 8.08 4.15 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 18 G 8.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.63 4.89 0.00 3.02 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.40 4.69 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.43 0.00 *22 Q 8.36 4.27 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 23 I 8.32 5.00 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.63 1.00 0.00 0.00 24 D 9.42 5.07 0.00 2.79 2.60 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 0.00 25 S 8.81 5.36 0.00 3.79 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 26 I 8.87 4.74 1.92 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 1.41 1.54 0.94 0.00 0.00 27 E 8.79 5.34 0.00 2.01 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 2.49 0.00 28 I 8.97 4.57 1.98 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.90 0.00 0.00 29 G 9.88 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 30 G 8.57 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 0.00 0.00 0.00 31 K 8.05 4.51 0.00 2.05 1.34 0.00 1.78 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 32 V 7.81 4.73 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 0.80 0.00 0.00 0.91 0.00 0.00 33 Y 9.23 5.07 0.00 2.94 2.90 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 0.00 0.00 0.00 34 Q 9.38 4.94 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 35 F 9.49 5.33 0.00 3.10 2.95 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 36 F 7.80 4.75 0.00 2.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.07 4.55 0.00 1.27 1.22 0.00 2.01 0.00 0.00 1.81 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.13 1.24 7.81 38 S 8.72 4.59 0.00 3.49 3.64 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 0.00 39 D 8.19 4.52 0.00 2.60 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 40 L 8.71 4.69 0.00 1.46 1.53 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.07 4.22 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 0.00 42 N 9.14 4.60 0.00 2.80 2.92 0.00 0.00 6.45 7.35 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 43 A 7.83 4.82 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 44 P 0.00 5.01 0.00 2.10 2.09 0.00 3.79 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 2.03 1.99 0.00 45 L 8.93 5.13 0.00 1.73 1.65 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.59 5.19 0.00 1.62 1.45 1.15 0.60 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 47 F 8.55 5.35 0.00 3.34 3.24 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 48 I 9.44 5.28 2.05 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 1.52 1.16 1.02 0.00 0.00 49 K 9.91 5.16 0.00 1.95 1.90 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 50 G 9.27 4.58 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 51 S 8.71 4.46 0.00 3.97 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 52 K 7.26 4.38 0.00 1.79 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.27 7.81 53 G 8.03 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 0.00 0.00 0.00 0.00 54 Y 7.90 5.60 0.00 3.22 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 55 A 9.50 5.67 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 *57 C 7.72 4.68 0.00 3.21 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 58 G 8.65 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 0.00 0.00 0.00 59 Y 7.85 4.38 0.00 3.08 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 60 L 7.91 4.11 0.00 1.75 1.77 1.09 1.02 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 61 N 8.50 4.70 0.00 2.80 2.72 0.00 0.00 7.19 7.65 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 *63 E 8.43 4.35 0.00 2.27 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 2.31 2.36 0.00 64 T 8.08 3.91 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 1.22 0.00 0.00 65 S 8.12 4.37 0.00 3.89 3.94 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 66 N 8.10 4.33 0.00 2.87 2.86 0.00 0.00 6.73 6.91 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 67 K 7.96 3.91 0.00 1.83 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 68 V 7.63 4.18 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 0.80 0.00 0.00 1.16 0.00 0.00 69 G 7.79 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 70 D 8.15 4.64 0.00 2.69 2.60 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 0.00 71 I 8.18 4.26 1.99 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 1.25 0.89 0.85 0.00 0.00 72 A 8.77 4.61 0.57 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 73 V 8.38 4.86 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 0.85 0.00 0.00 0.97 0.00 0.00 74 R 8.93 4.84 0.00 1.89 1.76 0.00 3.19 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 75 V 8.10 4.35 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 0.87 0.00 0.00 0.99 0.00 0.00 *77 G 8.43 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 4.52 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 0.80 0.00 0.00 1.00 0.00 0.00 79 K 8.71 4.64 0.00 1.69 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 80 T 7.62 4.83 4.19 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 1.25 0.00 0.00 81 L 8.21 3.63 0.00 0.27 1.13 0.51 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.02 4.42 0.00 2.71 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 83 D 8.02 4.54 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 *85 L 7.95 4.23 0.00 1.67 1.69 0.81 0.78 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 86 S 7.77 4.48 0.00 3.85 3.88 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 87 A 7.61 4.39 1.28 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 0.00 0.00 88 K 8.36 4.76 0.00 1.65 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 89 V 8.99 3.56 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 0.89 0.00 0.00 0.96 0.00 0.00 90 V 8.89 4.04 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 0.81 0.00 0.00 1.00 0.00 0.00 91 E 8.03 4.88 0.00 1.90 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 2.29 2.30 0.00 92 A 8.46 5.15 1.16 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 0.00 0.00 93 S 8.98 4.38 0.00 3.97 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 94 Q 9.43 3.96 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 95 E 8.15 4.01 0.00 2.14 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 2.39 2.51 0.00 96 A 7.76 3.97 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 97 Q 8.29 4.80 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 98 K 7.95 4.08 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.67 7.81 99 V 6.99 4.25 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 0.73 0.00 0.00 0.99 0.00 0.00 100 G 8.10 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 0.00 101 I 7.77 4.27 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 1.29 0.77 0.89 0.00 0.00 102 N 9.17 5.33 0.00 2.75 2.63 0.00 0.00 6.62 8.15 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 0.00 103 P 0.00 4.56 0.00 2.03 2.16 0.00 3.64 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 2.03 2.09 0.00 104 G 9.07 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 0.00 0.00 0.00 0.00 105 D 8.03 4.43 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.17 2.22 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 1.11 0.00 0.00 0.92 0.00 0.00 107 L 8.85 3.88 0.00 1.78 1.81 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.82 3.81 0.00 1.98 1.93 0.00 3.29 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 109 N 8.11 4.63 0.00 2.89 2.85 0.00 0.00 6.80 7.22 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 0.00 110 V 7.78 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 0.80 0.00 0.00 0.97 0.00 0.00 111 I 7.80 3.66 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.83 0.00 0.00 112 D 8.11 4.69 0.00 3.05 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 0.00 113 K 7.99 4.33 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.49 7.81 114 L 8.44 4.67 0.00 2.00 2.01 0.95 0.71 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 0.00 115 G 7.87 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.