NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3942 8.3049 120.3496 55.6998 33.6836 177.4085 2 N 3.6425 6.9253 113.1560 55.0110 39.6327 173.5479 3 R 4.6139 7.8783 120.2580 53.7291 34.1542 176.2317 4 G 3.7577 8.9431 111.4379 47.3199 0.0000 174.0034 5 A 4.2462 7.8692 122.3757 54.8040 18.8881 178.7707 6 L 3.8432 7.9347 117.0238 58.8139 42.1127 178.6689 7 I 3.7962 7.6837 118.8710 64.8337 37.0719 177.8569 8 K 4.4755 8.1399 119.2933 59.2207 31.7860 179.0621 9 L 3.9264 8.0982 119.4224 58.4077 41.9593 178.8822 10 V 3.8081 8.2261 120.1377 64.6750 31.1503 176.7198 11 E 4.1654 7.9982 110.3494 57.6878 29.6094 177.9682 12 S 4.9345 7.9957 115.5533 59.0300 63.0574 174.0261 13 R 4.2063 7.7034 115.5276 57.3701 30.1764 175.2030 14 Y 4.6444 7.4322 111.4451 57.0572 39.0607 176.0648 15 V 4.3037 7.5205 117.9426 60.4787 33.5899 175.8942 16 R 4.7090 8.1021 120.8063 56.7432 32.6594 173.5456 17 T 4.4561 8.6780 114.0367 65.0178 74.6447 176.1615 18 D 4.2657 7.4728 118.4121 55.7084 40.6543 176.6939 19 L 3.9688 7.7216 120.8284 54.4070 40.7305 175.4367 20 P 4.4378 0.0000 0.0000 61.9221 32.0540 175.4880 21 E 4.0131 8.5683 122.1832 55.8422 29.9881 175.8426 22 F 5.0582 7.4874 120.0145 55.3540 41.5533 173.3207 23 R 4.5292 8.4967 114.9045 54.9441 31.8912 171.5786 24 P 5.3849 0.0000 0.0000 63.7488 30.4306 174.8335 25 G 4.2708 9.2555 108.4604 45.1756 0.0000 170.8086 26 D 5.5045 7.5274 135.0000 54.2711 43.5395 176.8841 27 T 3.7466 7.8265 124.9948 61.4354 65.7712 176.9507 28 V 4.0507 5.4500 114.1267 62.2899 33.7284 168.5027 29 R 4.9224 8.6216 125.8956 55.5688 33.0696 173.2732 30 V 4.0325 6.5615 112.5294 58.6005 36.0830 174.6964 31 S 4.5022 8.3843 123.3927 58.6982 69.7662 177.5129 32 Y 4.9391 9.8940 119.4819 55.5740 41.0554 177.8851 33 K 3.7956 9.7025 120.7544 57.0759 28.9650 175.5888 34 V 3.8917 7.6444 123.6116 61.3420 30.0745 174.7891 35 K 4.3308 8.0811 124.0484 56.4807 35.1290 175.0826 36 E 3.8923 8.9453 116.4986 58.0566 27.1383 173.9343 37 G 4.1319 8.4484 101.5916 45.5537 0.0000 174.8149 38 N 4.7784 8.0452 113.9648 52.0324 38.6844 175.4126 39 R 3.8131 8.0437 125.8085 60.4273 30.8768 175.6470 40 T 3.8753 6.7889 114.9067 59.5222 67.5122 171.0980 41 R 4.4419 8.0616 122.4706 55.9756 33.3907 173.7054 42 I 4.3100 8.5301 120.4866 60.6023 38.8869 174.9245 43 Q 4.6996 8.5555 122.8453 54.9835 32.9361 172.8490 44 D 5.4093 8.6329 122.2965 52.9165 44.8897 176.1642 45 F 4.3655 8.4711 121.5254 57.8148 41.1090 172.6244 46 E 4.7872 8.2565 130.4238 54.3096 27.8782 174.0448 47 G 4.2376 7.4803 108.4808 43.4871 0.0000 170.2130 48 I 4.2594 8.2639 120.1761 61.0678 38.8072 176.5333 49 V 4.7184 8.2903 124.4143 60.6174 31.8910 176.5330 50 I 3.8138 8.6327 128.1994 63.5162 37.6874 176.1081 51 R 4.6547 7.5048 117.9838 55.5456 33.3615 173.9358 52 I 5.1570 8.3493 125.3072 59.6950 39.5631 174.2400 53 R 4.4022 8.9171 124.8141 55.2935 31.0062 176.0054 54 R 5.2331 8.2953 121.0447 54.2241 32.6166 176.3192 55 N 4.7683 8.7499 118.3297 52.3560 40.5284 176.4733 56 G 3.8604 8.1119 114.2680 46.4222 0.0000 177.3514 57 F 4.5170 9.2365 124.8970 57.8192 40.2397 173.1849 58 N 3.6673 7.5649 118.7526 53.9611 35.6052 175.1792 59 T 4.3579 7.5276 112.3614 61.4018 68.7659 173.1356 60 T 5.1043 7.8893 119.8787 60.9006 71.3619 173.6201 61 F 5.6855 9.4321 116.8171 55.4830 42.0045 173.3866 62 T 5.0479 9.1438 111.5337 60.1303 71.3529 172.9202 63 V 5.0908 9.2314 125.4486 61.2225 34.7443 174.0736 64 R 5.4806 9.0661 127.5302 54.4885 33.0545 174.0724 65 K 4.7355 8.9081 126.7990 54.7317 36.2754 175.0010 66 V 3.9845 8.4170 127.4057 62.8833 32.0481 175.1375 67 S 4.4695 9.1445 124.5363 57.4186 63.6026 173.9717 68 Y 3.1706 8.1044 128.2534 58.6845 36.4156 172.0030 69 G 3.9118 9.1747 112.6461 49.9982 0.0000 172.9674 70 V 4.0030 7.6180 121.0960 61.4500 33.1246 175.3320 71 G 4.2030 8.5730 113.7296 46.3589 0.0000 173.2108 72 V 4.5116 8.3508 118.8762 62.0001 35.1169 172.4284 73 E 5.2550 8.9314 127.7358 55.3336 31.2574 175.7539 74 R 4.3014 9.6866 122.6758 54.2602 33.9953 174.3305 75 I 4.3979 7.7434 123.7518 59.5594 38.9909 174.8619 76 F 4.7731 8.7167 127.2286 54.8069 40.9386 175.0189 77 P 4.1180 0.0000 0.0000 64.1456 31.3066 177.1389 78 L 4.3994 10.1192 116.5662 55.0826 40.3823 172.5596 79 H 4.7112 7.9390 111.2448 56.3247 32.3697 172.1182 80 S 4.2636 8.7921 118.9447 58.0703 61.4899 169.4797 81 P 4.6698 0.0000 0.0000 62.0858 31.4052 174.4827 82 L 4.4639 7.5244 119.1914 53.2610 42.2833 176.2379 83 I 3.7126 7.5685 118.7407 62.6056 37.9236 177.0987 84 Q 4.6890 6.9849 119.7352 54.4439 31.2124 174.9093 85 K 4.1843 8.3122 117.1243 56.5960 34.0305 174.6348 86 I 3.6716 7.3153 116.6504 61.2304 38.3641 174.5580 87 D 4.8706 8.0714 123.3473 51.4436 40.6612 175.5534 88 I 3.6828 7.7320 121.7853 62.8229 37.4708 177.0329 89 V 4.1875 7.5654 131.5358 61.4041 33.0418 174.0758 90 Q 4.3616 8.4990 127.0866 55.9851 28.0574 176.8104 91 R 4.8473 7.7842 127.0009 54.3037 31.5560 178.1863 92 G 4.0383 10.0090 115.3684 47.9977 0.0000 175.9686 93 R 4.1080 8.7570 117.9634 55.0972 29.6899 175.6574 94 A 3.6007 10.3727 120.3296 52.2696 18.1909 176.5809 95 R 4.6369 8.4127 115.5311 55.6655 30.9635 176.2543 96 R 4.6545 7.4880 112.7947 54.4743 32.3274 174.9880 97 A 4.0265 8.8240 123.3024 54.7148 18.5865 178.0404 98 K 4.2685 7.9185 115.5725 54.6983 33.7750 177.0097 99 L 5.0551 7.4789 125.7235 54.7126 40.2255 176.0694 100 Y 4.1265 7.9273 122.2293 62.8611 38.9694 180.8048 101 F 3.9242 7.8469 113.9885 59.4846 40.0459 177.6824 102 I 3.9858 6.7431 112.9729 60.8089 36.6437 176.9534 103 R 4.3470 7.9211 119.5814 59.0308 31.3442 178.5727 104 N 4.3999 8.0071 115.0271 55.9708 38.7813 176.0871 105 L 4.4879 7.4093 116.9857 53.7000 43.9723 172.7262 106 S 4.7514 7.8904 115.9995 56.8557 65.3029 173.2724 107 D 4.4616 7.5352 129.6206 52.8306 42.4011 179.0040 108 R 4.1028 8.3626 117.1130 58.6272 29.8564 177.2635 109 E 3.8704 8.2392 118.1923 59.7069 29.4347 178.7888 110 I 3.6305 7.9052 118.8749 64.9883 36.9433 178.1228 111 R 3.4442 7.3209 117.8853 58.9827 30.0801 177.9447 112 R 4.4590 7.7775 115.2627 56.2251 30.5383 176.8362 113 K 4.6042 8.6575 116.8272 56.5539 34.1608 176.3036 114 L 4.7926 7.3318 117.8366 53.2271 42.3177 175.3245 115 R 4.0722 7.6112 120.4283 55.2740 31.4226 176.3321 116 A 4.2745 8.2834 122.1569 52.2487 18.4178 178.5341 117 D 4.6739 8.0825 122.9498 54.3341 38.2801 176.3179 118 R 3.6843 7.5843 119.9771 59.0244 30.2713 177.6761 119 K 4.0144 7.7716 120.7362 60.1542 32.6332 178.7177 120 R 4.2641 8.5984 118.1413 58.8630 30.1781 178.5130 121 I 4.0969 7.8635 119.3206 62.6972 38.0773 177.3621 122 D 4.4702 8.1573 119.7706 57.0968 40.4981 178.0342 123 Q 4.1961 7.6746 116.8752 57.5783 28.4890 177.4899 124 D 4.5898 7.7096 120.0154 56.6252 41.3888 178.8270 125 R 3.9708 8.0806 115.9831 58.6374 30.3098 177.5311 126 A 4.1424 7.7444 118.9700 53.5050 19.3571 177.0939 127 A 4.2580 8.1606 119.4119 52.3541 17.1792 176.9861 128 E 4.6689 8.1773 115.4959 57.8888 32.2860 177.4632 129 R 4.1756 7.9894 121.0681 57.0010 27.5942 175.4100 130 A 4.4687 7.9050 121.6791 52.5441 20.9785 177.8962 131 A 3.8089 6.8284 119.9914 51.7691 14.6402 175.6335 132 K 3.7643 8.4890 119.6438 56.2492 32.8069 178.0334 133 E 3.8800 8.7729 125.1239 57.8650 29.9884 175.5483 134 E 4.3675 7.7114 119.1812 57.7265 28.8828 174.8649 135 A 4.9779 7.6112 135.0000 52.8685 17.7592 176.4115 136 Q 4.0723 7.3172 121.5657 56.7922 30.3018 177.5940 137 K 4.5280 7.8923 117.8455 55.6305 29.2710 175.2425 *138 A 4.1104 8.3238 125.9515 52.2582 18.7921 176.2247 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 4.39 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 N 6.93 3.64 0.00 2.86 2.75 0.00 0.00 6.78 6.78 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 3 R 7.88 4.61 0.00 1.89 1.82 0.00 3.31 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 4 G 8.94 3.76 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 0.00 0.00 0.00 5 A 7.87 4.25 1.33 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 0.00 0.00 6 L 7.93 3.84 0.00 1.77 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.68 3.80 1.89 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 1.78 0.76 0.92 0.00 0.00 8 K 8.14 4.48 0.00 2.05 1.90 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.45 7.81 9 L 8.10 3.93 0.00 1.78 1.79 0.94 0.87 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 10 V 8.23 3.81 2.29 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 1.12 0.00 0.00 1.08 0.00 0.00 11 E 8.00 4.17 0.00 2.51 2.23 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 2.37 2.38 0.00 12 S 8.00 4.93 0.00 4.00 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 13 R 7.70 4.21 0.00 1.69 1.47 0.00 3.13 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 14 Y 7.43 4.64 0.00 2.73 2.93 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 15 V 7.52 4.30 1.89 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 0.69 0.00 0.00 1.03 0.00 0.00 16 R 8.10 4.71 0.00 1.77 2.07 0.00 3.94 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 17 T 8.68 4.46 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 18 D 7.47 4.27 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 19 L 7.72 3.97 0.00 1.81 1.75 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.44 0.00 2.10 2.04 0.00 3.67 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 2.02 2.07 0.00 21 E 8.57 4.01 0.00 1.87 1.83 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 2.19 2.10 0.00 22 F 7.49 5.06 0.00 3.07 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 23 R 8.50 4.53 0.00 1.93 1.94 0.00 2.97 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 24 P 0.00 5.38 0.00 2.09 2.07 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 25 G 9.26 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 0.00 0.00 0.00 0.00 26 D 7.53 5.50 0.00 2.84 2.85 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 27 T 7.83 3.75 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 1.06 0.00 0.00 28 V 5.45 4.05 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 0.80 0.00 0.00 1.04 0.00 0.00 29 R 8.62 4.92 0.00 1.80 1.92 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 30 V 6.56 4.03 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 0.74 0.00 0.00 0.88 0.00 0.00 31 S 8.38 4.50 0.00 3.98 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 32 Y 9.89 4.94 0.00 2.97 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 33 K 9.70 3.80 0.00 2.11 2.28 0.00 1.68 0.00 0.00 1.43 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.44 7.81 34 V 7.64 3.89 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 0.80 0.00 0.00 0.91 0.00 0.00 35 K 8.08 4.33 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.41 7.81 36 E 8.95 3.89 0.00 2.13 2.28 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 2.18 2.30 0.00 37 G 8.45 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 38 N 8.05 4.78 0.00 2.77 2.80 0.00 0.00 6.87 8.76 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 39 R 8.04 3.81 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 40 T 6.79 3.88 4.26 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 1.24 0.00 0.00 41 R 8.06 4.44 0.00 1.80 2.18 0.00 3.45 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 42 I 8.53 4.31 1.91 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 1.23 1.02 0.94 0.00 0.00 43 Q 8.56 4.70 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 D 8.63 5.41 0.00 2.59 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 45 F 8.47 4.37 0.00 3.26 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 46 E 8.26 4.79 0.00 1.89 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 2.15 2.23 0.00 47 G 7.48 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 0.00 0.00 0.00 0.00 48 I 8.26 4.26 1.88 0.00 0.00 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 1.27 0.59 0.97 0.00 0.00 49 V 8.29 4.72 2.26 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 1.13 0.00 0.00 1.34 0.00 0.00 50 I 8.63 3.81 1.91 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 1.16 0.99 0.86 0.00 0.00 51 R 7.50 4.65 0.00 1.70 1.75 0.00 3.38 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 52 I 8.35 5.16 1.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.89 0.00 0.00 53 R 8.92 4.40 0.00 1.94 2.10 0.00 2.76 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 54 R 8.30 5.23 0.00 1.81 1.88 0.00 3.29 0.00 0.00 3.80 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 55 N 8.75 4.77 0.00 2.61 2.70 0.00 0.00 7.00 7.98 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 56 G 8.11 3.86 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 0.00 57 F 9.24 4.52 0.00 2.89 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 58 N 7.56 3.67 0.00 2.56 1.88 0.00 0.00 5.84 7.71 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 59 T 7.53 4.36 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 1.42 0.00 0.00 60 T 7.89 5.10 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 1.22 0.00 0.00 61 F 9.43 5.69 0.00 3.42 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 62 T 9.14 5.05 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 1.19 0.00 0.00 63 V 9.23 5.09 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 1.34 0.00 0.00 1.40 0.00 0.00 64 R 9.07 5.48 0.00 1.99 1.77 0.00 3.30 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 65 K 8.91 4.74 0.00 1.63 1.17 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 1.26 7.81 66 V 8.42 3.98 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 0.84 0.00 0.00 0.90 0.00 0.00 67 S 9.14 4.47 0.00 3.80 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 68 Y 8.10 3.17 0.00 3.19 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 69 G 9.17 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.62 4.00 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 0.90 0.00 0.00 0.96 0.00 0.00 71 G 8.57 4.20 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 0.00 72 V 8.35 4.51 2.32 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 1.05 0.00 0.00 1.00 0.00 0.00 73 E 8.93 5.26 0.00 1.91 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 2.32 2.38 0.00 74 R 9.69 4.30 0.00 1.01 0.72 0.00 2.21 0.00 0.00 2.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 75 I 7.74 4.40 1.64 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.39 0.78 0.00 0.00 76 F 8.72 4.77 0.00 1.51 2.36 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 77 P 0.00 4.12 0.00 2.10 2.14 0.00 3.82 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 2.08 2.09 0.00 78 L 10.12 4.40 0.00 2.18 2.25 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.94 4.71 0.00 3.34 3.37 0.00 6.03 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.79 4.26 0.00 4.14 4.06 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 0.00 0.00 0.00 81 P 0.00 4.67 0.00 1.24 2.10 0.00 3.32 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.10 0.00 82 L 7.52 4.46 0.00 1.48 1.39 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.57 3.71 1.86 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 1.33 0.50 0.91 0.00 0.00 84 Q 6.98 4.69 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.37 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 85 K 8.31 4.18 0.00 1.58 1.63 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.91 1.13 7.81 86 I 7.32 3.67 1.84 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 1.32 0.89 0.99 0.00 0.00 87 D 8.07 4.87 0.00 2.89 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.68 2.07 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 1.31 0.77 0.89 0.00 0.00 89 V 7.57 4.19 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 0.76 0.00 0.00 0.92 0.00 0.00 90 Q 8.50 4.36 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.30 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 91 R 7.78 4.85 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 92 G 10.01 4.04 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 0.00 0.00 0.00 93 R 8.76 4.11 0.00 2.14 2.20 0.00 2.81 0.00 0.00 2.61 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 94 A 10.37 3.60 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 95 R 8.41 4.64 0.00 1.74 1.90 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 96 R 7.49 4.65 0.00 1.87 1.83 0.00 2.76 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 97 A 8.82 4.03 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 98 K 7.92 4.27 0.00 1.76 1.55 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.51 7.81 99 L 7.48 5.06 0.00 1.98 1.99 0.87 1.30 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 0.00 100 Y 7.93 4.13 0.00 3.26 3.09 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 0.00 0.00 0.00 101 F 7.85 3.92 0.00 3.30 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.74 3.99 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 -0.11 0.00 0.00 103 R 7.92 4.35 0.00 1.91 1.97 0.00 3.25 0.00 0.00 3.21 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 104 N 8.01 4.40 0.00 2.77 2.94 0.00 0.00 6.69 7.85 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 0.00 105 L 7.41 4.49 0.00 1.64 1.60 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.89 4.75 0.00 3.94 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 0.00 107 D 7.54 4.46 0.00 2.75 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 0.00 0.00 0.00 108 R 8.36 4.10 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 109 E 8.24 3.87 0.00 2.38 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 2.37 2.43 0.00 110 I 7.91 3.63 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.86 0.00 0.00 111 R 7.32 3.44 0.00 1.92 2.04 0.00 3.13 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 112 R 7.78 4.46 0.00 1.82 1.94 0.00 3.24 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 113 K 8.66 4.60 0.00 2.08 2.03 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.60 7.81 114 L 7.33 4.79 0.00 1.58 1.57 0.89 1.01 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 0.00 115 R 7.61 4.07 0.00 1.85 1.88 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 116 A 8.28 4.27 1.25 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 0.00 0.00 117 D 8.08 4.67 0.00 2.82 2.81 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 0.00 118 R 7.58 3.68 0.00 1.86 1.91 0.00 3.38 0.00 0.00 3.26 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 119 K 7.77 4.01 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.53 7.81 120 R 8.60 4.26 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 121 I 7.86 4.10 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 1.63 1.04 0.00 0.00 122 D 8.16 4.47 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 0.00 123 Q 7.67 4.20 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 124 D 7.71 4.59 0.00 2.95 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 0.00 125 R 8.08 3.97 0.00 1.79 2.02 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 126 A 7.74 4.14 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 0.00 127 A 8.16 4.26 1.33 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 0.00 0.00 128 E 8.18 4.67 0.00 2.01 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 2.19 2.31 0.00 129 R 7.99 4.18 0.00 1.77 1.91 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 130 A 7.91 4.47 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 0.00 131 A 6.83 3.81 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 0.00 132 K 8.49 3.76 0.00 1.88 1.94 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.41 7.81 133 E 8.77 3.88 0.00 2.04 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 2.37 2.65 0.00 134 E 7.71 4.37 0.00 2.05 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 2.30 2.29 0.00 135 A 7.61 4.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.32 4.07 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 137 K 7.89 4.53 0.00 2.18 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 *138 A 8.32 4.11 1.23 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 * Residues marked with a * may have inaccurate shift predictions.