NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3796 8.3344 115.2899 58.3899 63.5977 173.6506 3 Q 4.2918 8.3027 125.1688 55.8646 29.8707 175.9310 4 T 3.8650 7.5869 116.0703 67.4099 68.9348 175.3747 5 L 3.9400 7.7718 121.1331 58.0717 42.1429 178.4970 6 K 3.9198 7.9914 117.7279 59.6233 32.1609 177.9798 7 Q 4.1044 8.0785 119.1255 59.0510 29.0298 177.8474 8 L 4.2051 7.6791 118.6932 57.4602 41.6955 179.3094 9 A 4.0713 7.9890 116.1934 52.1378 18.2176 176.8405 *11 A 4.0466 7.2129 121.5963 52.7573 20.0759 177.9382 12 K 4.0041 8.4089 121.0042 56.3119 31.0503 177.2401 *14 A 4.3941 7.7998 121.8088 52.1830 20.7413 178.3740 15 G 3.6204 8.1771 102.3899 46.6419 0.0000 173.6062 16 F 4.8221 7.7690 118.0288 55.2117 42.7431 174.6215 17 R 4.2863 9.2059 125.3445 57.4683 30.9623 175.3715 18 H 5.3470 8.5390 116.1856 55.4022 31.1670 172.5437 19 K 4.6198 8.9998 117.8472 56.1983 36.3450 174.5993 20 T 4.8194 8.3614 117.9904 62.6512 69.7507 174.4951 21 V 4.4082 8.5331 125.8777 60.9034 34.6715 174.5541 22 V 4.2799 8.4974 128.0490 62.6036 32.6171 175.8678 23 V 4.0448 8.8837 128.2802 59.0504 31.6411 174.1129 24 P 4.1684 0.0000 0.0000 65.7740 31.3551 177.5399 25 E 4.3102 7.8986 112.9353 56.7872 30.9485 176.3622 26 W 4.9612 8.0032 121.5099 56.6101 28.9554 175.8889 27 E 3.6193 9.1775 110.3649 57.5288 26.8478 176.5031 28 G 3.9824 8.5636 105.2400 45.0913 0.0000 174.8613 29 V 3.8322 7.6392 120.1282 61.9327 32.4394 175.4528 30 K 4.9718 8.5819 122.3853 55.6924 33.6423 176.0955 31 V 4.6173 8.7951 116.3443 59.5912 36.5621 174.3065 32 V 4.8446 8.6766 121.6737 61.2706 33.8998 174.0641 33 L 5.1871 8.8561 128.2590 53.0151 43.6675 175.6748 34 R 5.2856 8.3472 120.4073 53.7232 32.0243 175.6313 35 E 4.2506 8.8210 119.2184 56.0820 30.1977 175.2722 36 P 4.4786 0.0000 0.0000 62.2385 32.2083 176.6811 37 S 4.7886 9.1229 116.4595 57.8747 64.0053 175.6949 38 G 3.8556 8.6576 109.3925 48.3107 0.0000 175.5005 39 E 4.1805 8.0498 118.3545 58.0202 30.1175 177.9613 40 A 4.4933 7.8691 120.1577 53.8018 19.6701 178.8071 41 W 4.4512 8.1609 117.3394 60.3625 28.8277 177.3124 42 L 3.9297 8.3658 119.0000 59.5392 41.2297 178.9263 43 R 4.0473 8.0134 117.4455 59.1501 30.3599 178.5173 44 W 4.3191 8.5338 128.3438 60.4664 30.5222 176.9409 45 Q 4.2252 7.8758 115.2291 56.7905 28.7865 176.4833 46 E 4.1427 7.5896 118.3214 59.6023 29.8636 178.2432 47 V 3.7494 8.3090 117.9738 64.8159 31.8748 176.5279 48 V 3.3087 6.8185 118.3173 62.7840 31.5576 174.9684 *56 N 4.4874 8.5539 124.2067 53.0030 39.6137 174.1404 57 V 4.1077 8.1777 122.7037 60.4066 33.1304 176.8074 58 S 4.3767 8.3303 118.4353 57.8986 65.1792 175.4203 59 V 3.6143 8.2772 122.3425 66.3364 31.2279 178.4656 60 S 4.2073 7.9961 113.4729 61.1060 63.1087 175.9373 61 E 3.8854 8.0283 122.8641 58.8243 29.2546 178.3953 62 K 3.7700 8.4656 119.9285 59.7976 32.3749 178.5314 63 A 4.0168 8.0139 120.7212 55.3055 18.1249 179.1794 64 H 4.1453 8.5319 117.3216 59.4120 29.9380 177.7750 65 R 3.8341 7.9715 117.7548 59.0938 29.2735 178.5498 66 N 4.2391 7.9507 117.5345 55.7580 38.3747 177.0831 67 L 3.8208 7.7860 121.5426 58.3438 41.9253 178.4534 68 C 3.7865 8.0589 116.7007 63.0629 28.2162 176.3279 69 A 4.1130 8.1828 122.0759 55.2231 17.8477 179.3909 70 D 4.5301 8.5921 117.8303 57.8369 40.9467 179.5155 71 V 3.3314 7.7552 113.0651 64.1063 31.2523 178.9096 72 V 3.5991 7.5373 117.8593 65.9570 31.4303 178.1264 73 L 3.6820 7.8506 118.5620 57.4854 41.2205 179.1581 74 F 4.2105 8.4402 120.9075 61.6196 39.1806 177.2631 75 I 3.7119 7.8566 117.8859 64.2555 36.8836 177.4019 76 D 4.3954 7.2497 117.5266 56.6967 41.5022 178.3402 77 V 3.8556 7.7182 112.5422 61.8462 31.8010 175.1663 78 L 4.6767 6.9307 122.2193 53.9449 43.1358 175.3855 79 C 5.3129 8.8298 123.4654 57.7573 32.9784 173.6290 80 D 5.0362 9.0957 121.9402 52.6336 40.7631 177.3175 81 T 3.9706 8.4618 107.8419 64.3032 68.9476 174.7563 82 D 4.6335 8.1500 120.8551 53.8722 40.6151 176.0384 83 K 3.8187 7.7946 116.7850 57.5596 30.2156 175.2879 84 Q 4.5523 8.1776 117.4557 52.9786 30.5346 173.7925 85 P 4.3264 0.0000 0.0000 63.2531 31.6593 176.6278 86 V 3.4350 8.0667 122.1074 64.8407 31.6338 176.2186 87 F 5.1291 7.5631 116.3171 55.3868 42.0009 175.0664 88 S 4.5636 9.0806 119.2946 57.1282 63.8172 175.3848 89 V 3.6148 8.5372 120.8098 65.3266 30.7757 178.1503 90 D 4.5330 7.8313 118.5477 55.8880 40.9750 177.0402 91 E 5.4847 7.9363 119.9017 55.1382 30.9169 177.9161 92 E 3.8463 7.7306 121.0061 60.5579 29.8908 177.7144 93 E 3.9704 8.1091 116.9788 59.5366 29.3591 178.8014 94 Q 4.0057 7.9920 118.4779 58.7876 28.9286 178.9835 95 V 3.4053 7.6768 119.1635 65.7242 31.2819 177.6962 96 R 3.7993 8.0995 118.3397 59.4983 29.8716 177.3584 97 E 4.1311 7.7395 114.3813 57.9140 29.9027 177.2307 98 I 4.2581 6.7703 111.6675 60.3324 38.9732 175.1893 99 Y 3.6711 7.8231 124.3059 57.9774 39.4454 174.7625 100 G 4.0911 7.5874 116.3630 43.3390 0.0000 170.6075 101 P 4.1140 0.0000 0.0000 65.7516 31.2055 178.5460 102 V 3.2918 7.5595 116.1518 66.2921 31.4990 177.4087 103 H 3.7679 7.8937 115.6183 58.9034 28.4945 177.7742 104 S 4.4566 7.3760 117.0574 60.6738 63.0072 176.4698 105 R 3.9256 7.9029 122.4148 58.9599 29.7446 178.4868 106 L 3.9875 8.0962 119.4800 57.3112 41.5647 178.8088 107 L 4.0601 8.4616 120.8390 58.2889 42.0159 179.1625 108 K 3.9195 7.9173 117.7277 59.5931 31.8273 178.7819 109 Q 4.0918 7.7227 117.7653 59.4008 29.2925 178.2356 110 A 4.1445 8.1378 121.4455 55.3186 18.0830 179.6897 111 L 4.1022 8.2370 117.3547 57.7093 41.3936 179.2329 112 D 4.4575 8.3322 119.0295 57.2205 40.4203 178.7647 113 L 4.1784 7.6934 118.6661 57.5780 41.6655 178.5003 114 I 3.9670 7.4590 119.0405 63.7356 37.4772 175.6955 115 N 4.5227 7.5985 120.4761 53.0528 37.0216 174.6082 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 S 8.33 4.38 0.00 3.85 3.83 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 0.00 0.00 0.00 3 Q 8.30 4.29 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 4 T 7.59 3.86 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 5 L 7.77 3.94 0.00 1.75 1.65 0.92 0.53 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 6 K 7.99 3.92 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 7 Q 8.08 4.10 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 8 L 7.68 4.21 0.00 1.83 1.72 0.92 0.77 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 9 A 7.99 4.07 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 *11 A 7.21 4.05 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 12 K 8.41 4.00 0.00 1.72 1.80 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 *14 A 7.80 4.39 1.46 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 0.00 0.00 15 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.82 0.00 3.01 2.99 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 0.00 0.00 0.00 17 R 9.21 4.29 0.00 1.91 1.92 0.00 3.24 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 18 H 8.54 5.35 0.00 3.18 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.00 4.62 0.00 1.77 1.87 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 20 T 8.36 4.82 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 21 V 8.53 4.41 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 1.02 0.00 0.00 0.99 0.00 0.00 22 V 8.50 4.28 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 0.88 0.00 0.00 0.93 0.00 0.00 23 V 8.88 4.04 1.60 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 0.72 0.00 0.00 0.09 0.00 0.00 24 P 0.00 4.17 0.00 2.00 2.16 0.00 3.54 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 1.97 2.07 0.00 25 E 7.90 4.31 0.00 2.08 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 1.91 1.95 0.00 26 W 8.00 4.96 0.00 3.39 3.02 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 27 E 9.18 3.62 0.00 2.17 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 2.27 2.36 0.00 28 G 8.56 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 29 V 7.64 3.83 2.25 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 1.11 0.00 0.00 0.98 0.00 0.00 30 K 8.58 4.97 0.00 1.67 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 V 8.80 4.62 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 0.93 0.00 0.00 0.95 0.00 0.00 32 V 8.68 4.84 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 0.98 0.00 0.00 0.98 0.00 0.00 33 L 8.86 5.19 0.00 1.61 1.54 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.35 5.29 0.00 1.75 1.76 0.00 2.21 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 35 E 8.82 4.25 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 36 P 0.00 4.48 0.00 0.88 1.34 0.00 3.83 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 0.80 1.55 0.00 37 S 9.12 4.79 0.00 4.31 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 38 G 8.66 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 39 E 8.05 4.18 0.00 1.99 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 2.39 2.31 0.00 40 A 7.87 4.49 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 41 W 8.16 4.45 0.00 3.52 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 42 L 8.37 3.93 0.00 2.14 1.79 0.98 0.97 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 43 R 8.01 4.05 0.00 1.98 2.00 0.00 3.28 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 44 W 8.53 4.32 0.00 3.57 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 45 Q 7.88 4.23 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 46 E 7.59 4.14 0.00 2.09 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 0.00 2.34 2.32 0.00 47 V 8.31 3.75 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 1.04 0.00 0.00 48 V 6.82 3.31 1.80 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 0.58 0.00 0.00 0.22 0.00 0.00 *56 N 8.55 4.49 0.00 2.77 2.78 0.00 0.00 7.14 7.68 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 57 V 8.18 4.11 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 0.92 0.00 0.00 58 S 8.33 4.38 0.00 4.06 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 59 V 8.28 3.61 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 1.08 0.00 0.00 0.93 0.00 0.00 60 S 8.00 4.21 0.00 4.09 4.10 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 0.00 0.00 0.00 0.00 61 E 8.03 3.89 0.00 2.02 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 0.00 2.31 2.32 0.00 62 K 8.47 3.77 0.00 1.80 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 A 8.01 4.02 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 64 H 8.53 4.15 0.00 3.32 3.47 0.00 5.78 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 65 R 7.97 3.83 0.00 2.05 2.14 0.00 2.78 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 1.75 1.57 0.00 66 N 7.95 4.24 0.00 2.69 2.92 0.00 0.00 6.51 7.27 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 67 L 7.79 3.82 0.00 1.87 1.79 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.06 3.79 0.00 3.04 2.91 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 69 A 8.18 4.11 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 70 D 8.59 4.53 0.00 2.85 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 71 V 7.76 3.33 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 0.19 0.00 0.00 0.85 0.00 0.00 72 V 7.54 3.60 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 1.09 0.00 0.00 0.94 0.00 0.00 73 L 7.85 3.68 0.00 1.65 1.32 -1.09 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.44 4.21 0.00 3.35 3.42 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 75 I 7.86 3.71 1.91 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 1.44 0.80 1.01 0.00 0.00 76 D 7.25 4.40 0.00 2.78 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 77 V 7.72 3.86 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 0.67 0.00 0.00 0.90 0.00 0.00 78 L 6.93 4.68 0.00 1.15 1.13 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.83 5.31 0.00 2.94 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 80 D 9.10 5.04 0.00 2.70 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 81 T 8.46 3.97 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 1.25 0.00 0.00 82 D 8.15 4.63 0.00 2.76 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 83 K 7.79 3.82 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 84 Q 8.18 4.55 0.00 2.40 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 85 P 0.00 4.33 0.00 2.22 1.99 0.00 3.68 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 1.92 1.91 0.00 86 V 8.07 3.44 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.78 0.00 0.00 87 F 7.56 5.13 0.00 3.07 2.87 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 88 S 9.08 4.56 0.00 4.03 4.01 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 0.00 0.00 0.00 89 V 8.54 3.61 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 0.82 0.00 0.00 0.94 0.00 0.00 90 D 7.83 4.53 0.00 2.71 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 E 7.94 5.48 0.00 2.21 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 2.54 2.30 0.00 92 E 7.73 3.85 0.00 2.20 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 2.26 2.30 0.00 93 E 8.11 3.97 0.00 2.18 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 2.35 2.34 0.00 94 Q 7.99 4.01 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 95 V 7.68 3.41 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 0.95 0.00 0.00 0.05 0.00 0.00 96 R 8.10 3.80 0.00 1.90 1.92 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 97 E 7.74 4.13 0.00 2.23 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 0.00 2.49 2.31 0.00 98 I 6.77 4.26 1.86 0.00 0.00 0.77 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 0.98 0.90 0.00 0.00 99 Y 7.82 3.67 0.00 3.08 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 0.00 100 G 7.59 4.09 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 0.00 0.00 0.00 101 P 0.00 4.11 0.00 2.11 2.08 0.00 3.58 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 2.10 2.13 0.00 102 V 7.56 3.29 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 0.13 0.00 0.00 0.79 0.00 0.00 103 H 7.89 3.77 0.00 1.81 1.62 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.38 4.46 0.00 4.14 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 0.00 105 R 7.90 3.93 0.00 1.92 1.98 0.00 3.02 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 106 L 8.10 3.99 0.00 2.04 1.81 0.47 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.46 4.06 0.00 2.12 2.02 0.87 0.87 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 0.00 108 K 7.92 3.92 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.51 7.81 109 Q 7.72 4.09 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 110 A 8.14 4.14 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 0.00 111 L 8.24 4.10 0.00 1.73 1.82 0.78 0.92 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 0.00 112 D 8.33 4.46 0.00 3.01 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 0.00 113 L 7.69 4.18 0.00 1.80 1.78 1.06 0.74 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 0.00 114 I 7.46 3.97 1.96 0.00 0.00 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 1.53 0.61 0.91 0.00 0.00 115 N 7.60 4.52 0.00 2.87 2.84 0.00 0.00 6.84 7.44 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 * Residues marked with a * may have inaccurate shift predictions.