NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4372 8.3049 118.1940 54.6616 32.6004 174.4360 2 I 3.8244 8.0158 120.1709 60.7836 37.6136 175.3581 3 S 4.3443 9.0142 121.6102 58.9870 64.5261 174.8199 4 G 3.7714 7.3033 105.2101 45.3848 0.0000 170.6235 5 L 4.1541 8.0088 123.1491 54.8209 42.8087 177.2911 6 S 4.4589 8.4460 121.4759 59.2357 62.9706 173.0671 7 H 4.6171 6.8973 111.9218 55.1161 30.7922 172.2321 8 I 4.3980 7.9426 119.4386 59.7136 40.0533 174.8536 9 T 5.0367 8.4414 123.1871 61.7954 70.5058 173.6494 10 L 4.8163 9.2892 126.4905 52.9754 44.9178 175.3565 11 I 4.9791 8.4376 123.2351 60.0419 38.7436 175.4489 12 V 4.9569 9.2492 119.7176 59.6075 35.6083 176.7490 13 K 3.9149 8.8959 121.0223 57.6434 33.3107 176.8815 14 D 4.7641 7.7966 118.1115 51.6016 43.3010 175.7651 15 L 4.1030 8.4665 128.1139 58.0354 41.8605 179.1838 16 N 4.4150 8.2444 115.9173 56.2548 38.5515 177.5323 17 K 4.0556 8.6018 119.9307 59.7374 32.0764 179.5782 18 T 4.0956 7.9165 115.8415 67.0135 68.4026 176.5927 19 T 3.8683 8.3582 117.6431 66.9458 68.5146 176.4540 20 A 4.2729 8.1788 122.2587 54.8614 18.3185 179.5423 21 F 4.2035 8.3228 119.3854 61.7220 39.5891 177.4902 22 L 4.0426 8.3801 118.9527 57.6554 41.2513 179.6803 23 Q 4.0645 8.0548 118.1214 58.9974 28.5654 178.2410 24 N 4.2945 8.1333 116.3671 55.9172 38.6135 176.9620 25 I 3.8170 7.2102 119.5184 63.0258 37.8696 176.9548 26 F 4.3536 7.6646 113.9291 56.4560 39.2888 175.2221 27 N 4.5875 8.3707 115.8510 52.7368 36.0414 174.2724 28 A 4.3039 7.8585 118.2747 52.2676 19.7299 177.9349 29 E 4.6338 9.0501 122.2102 54.2501 31.4512 174.9460 30 E 4.4844 9.0830 128.9949 56.3513 30.1290 176.2464 31 I 4.7264 8.5067 116.7136 60.4963 39.0450 174.3769 32 Y 4.8319 7.5777 123.0272 56.7453 42.3478 173.5394 33 S 4.2571 7.1838 120.0957 55.7093 64.8912 174.8758 34 S 4.3676 7.6874 123.7911 58.3292 62.0063 177.7658 *42 S 4.3770 8.5026 118.9500 58.1860 63.5852 171.6104 43 K 4.4913 8.3668 115.8048 58.0968 33.5114 176.2427 44 E 5.3033 8.4321 118.4725 56.0431 33.3968 174.1980 45 K 4.8398 9.0227 118.7724 54.8790 37.3057 175.2697 46 F 6.0122 8.8107 120.2542 56.1678 42.2129 174.6693 47 F 5.5828 10.1476 120.5054 55.8264 44.0543 173.7410 48 L 5.3830 9.0659 120.0791 53.3118 44.7419 175.8211 49 I 4.6598 8.8747 125.2057 59.2881 39.9865 176.1304 50 A 3.7304 9.7201 132.6863 53.1761 15.8904 177.3055 51 G 4.1127 8.2025 108.3403 45.7239 0.0000 173.6730 52 L 4.3196 8.2205 120.5632 53.9695 42.7103 175.6555 53 W 5.3174 8.7606 132.6895 56.5337 31.9351 174.4947 54 I 4.9940 9.2332 129.2511 59.7081 39.5967 174.6648 55 C 5.7006 9.2075 124.5760 57.8778 31.5458 172.8933 56 I 5.1512 9.0224 116.2072 59.5061 40.0840 174.1632 57 M 5.2996 9.1877 126.4332 53.0549 35.1261 174.8727 58 E 4.4688 9.1527 124.6058 56.4934 30.5207 176.5033 59 G 4.0570 8.9282 112.9716 46.4548 0.0000 171.8358 60 D 4.7966 8.8150 119.3365 54.0858 41.5518 177.2627 61 S 4.4167 8.5220 117.5031 57.8380 63.7711 174.3065 62 L 4.1708 7.9531 122.5065 54.9722 42.0012 178.0815 63 Q 4.1144 8.7738 121.8254 58.5305 28.9474 176.3843 64 E 4.7591 7.7482 113.9289 54.3083 33.1466 175.2803 65 R 4.4771 8.2345 119.6618 55.4138 31.3087 175.9750 66 T 4.7788 8.1832 110.5976 60.2893 72.0148 172.7493 67 Y 4.6513 8.5084 119.9524 57.6763 38.9326 174.9901 68 N 4.3085 7.5601 115.6148 54.5211 39.0719 173.5665 69 H 4.5751 7.5285 115.3603 55.1423 31.6089 172.6876 70 I 4.4108 7.6725 118.0885 59.2430 40.1158 174.6925 71 A 5.1695 8.3094 127.5983 50.1660 21.4939 175.3157 72 F 4.7170 9.5012 120.4891 55.8603 42.1086 174.5969 73 Q 5.0050 8.6981 122.5603 55.3243 29.7801 174.5247 74 I 4.7949 8.3348 118.1581 59.7057 42.0406 173.7881 75 Q 4.5646 8.9108 120.6647 54.0344 30.0267 177.4022 76 S 4.0900 8.6428 115.3458 61.6504 62.8774 175.7712 77 E 4.3525 8.1554 117.3193 57.1758 29.4398 177.1284 78 E 4.5873 8.3451 118.6082 55.6972 30.4441 177.6855 79 V 3.6426 7.4486 118.6857 66.3239 31.7550 177.3218 80 D 4.3570 8.1509 117.8953 57.4578 40.5801 178.2618 81 E 3.7710 8.0800 118.9193 59.7845 29.6049 178.4702 82 Y 3.9199 8.0967 116.6016 61.0945 37.8221 178.7771 83 T 3.8090 8.2342 117.2998 66.5407 68.5368 176.2852 84 E 3.8847 7.9998 120.7364 59.3218 29.4834 179.0084 85 R 3.8440 7.9288 117.3666 59.2664 30.4326 178.8581 86 I 3.6412 7.9710 120.0979 64.0487 37.0496 178.3992 87 K 3.9957 8.0691 120.2505 59.1965 31.7485 178.6607 88 A 4.0938 7.7185 120.3170 54.2312 18.4594 178.4306 89 L 4.5750 7.7762 116.3803 53.8982 41.6485 177.7570 90 G 3.9653 7.8994 106.2715 46.2108 0.0000 174.7711 91 V 4.0960 7.2296 111.8031 60.5778 32.4165 175.8060 92 E 4.3530 8.8410 122.3617 56.7383 30.6331 175.5480 93 M 5.2757 8.6202 123.8777 53.2601 34.2992 176.0296 94 K 4.4398 9.3396 124.5490 55.6846 33.0164 175.5355 95 P 4.5922 0.0000 0.0000 61.8235 32.3579 175.9573 96 E 4.0597 8.6291 118.6299 57.0502 29.7644 177.6993 97 R 4.3001 8.3819 121.9853 54.5916 31.3000 174.6300 98 P 4.3826 0.0000 0.0000 62.8066 31.7793 176.0559 99 R 4.8566 8.2050 117.4027 54.9192 33.0132 173.3399 100 V 4.6455 9.1094 111.2424 59.1654 34.8146 175.2564 101 Q 4.1687 8.4338 118.1866 57.9673 28.9123 176.3293 102 G 4.0533 8.8991 108.8496 45.6028 0.0000 173.4736 103 E 4.2752 7.5026 118.4870 55.6187 30.3493 178.2604 104 G 4.4260 8.4554 114.4190 45.1290 0.0000 172.3063 105 R 4.8561 8.3451 118.2303 54.8015 33.3704 175.5400 106 S 5.2406 8.5521 115.5608 57.0140 67.5195 173.4846 107 I 4.6191 8.5254 122.7037 59.8994 40.1652 174.0089 108 Y 5.2584 8.8105 124.9689 56.2176 40.3964 174.7922 109 F 5.7072 8.6043 117.7384 56.2920 41.7374 172.8318 110 Y 5.1356 8.8914 117.9683 56.8208 39.9115 176.2082 111 D 4.1173 8.3204 122.5719 52.9587 41.2612 176.7204 112 F 4.8243 7.7654 118.6859 58.7042 39.4243 175.3598 113 D 4.9073 9.1626 121.6598 53.8761 41.7424 175.7295 114 N 4.2184 8.4332 113.4033 54.7686 36.2443 173.4459 115 H 4.8337 8.4307 114.8241 54.3496 30.5849 174.0360 116 L 3.9772 8.2876 125.5067 54.1902 43.2727 175.4179 117 F 4.7811 8.7706 125.0574 55.8080 42.5371 174.2330 118 E 4.9038 8.8505 120.0356 54.7045 33.6037 173.8338 119 L 5.1767 8.7593 126.2542 53.4045 44.5176 174.6863 120 H 5.3524 9.3087 124.7112 54.1748 32.6929 172.4854 121 A 5.0085 9.5763 128.2134 50.8078 20.1707 175.1059 122 G 4.0788 8.2516 107.6954 44.1591 0.0000 173.1479 123 T 4.5622 8.4791 113.4996 59.3585 72.4520 175.6727 124 L 3.9580 8.2486 121.8947 58.0321 41.8437 178.1520 125 E 3.9694 8.2139 116.1120 59.8904 29.4596 178.6757 126 E 4.1117 7.8878 119.1976 58.7833 29.2772 179.3972 127 R 4.0674 7.6422 117.2622 59.3652 30.1792 177.8553 128 L 4.4217 8.1607 116.6872 54.9292 41.5033 178.6510 129 K 3.9809 7.8991 124.1380 60.4469 31.9922 179.6499 130 R 4.0016 7.9253 118.9066 61.5256 29.5434 179.4802 131 Y 4.6033 7.6866 121.9351 60.7624 38.7414 176.4332 *132 H 4.3896 7.8199 120.6543 54.4387 28.3178 179.1612 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 4.44 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 I 8.02 3.82 1.86 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 1.40 0.14 0.93 0.00 0.00 3 S 9.01 4.34 0.00 3.87 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 4 G 7.30 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.01 4.15 0.00 1.58 1.59 0.84 0.81 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 6 S 8.45 4.46 0.00 3.89 3.78 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 7 H 6.90 4.62 0.00 2.39 2.30 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.94 4.40 1.84 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 1.11 0.63 0.84 0.00 0.00 9 T 8.44 5.04 4.18 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 0.00 0.00 1.23 0.00 0.00 10 L 9.29 4.82 0.00 1.58 1.51 1.12 0.55 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 11 I 8.44 4.98 1.93 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 1.39 0.85 0.95 0.00 0.00 12 V 9.25 4.96 2.27 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 1.01 0.00 0.00 1.04 0.00 0.00 13 K 8.90 3.91 0.00 1.92 1.96 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.36 7.81 14 D 7.80 4.76 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.10 0.00 1.78 1.78 0.99 0.85 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 16 N 8.24 4.41 0.00 2.88 2.91 0.00 0.00 7.12 6.95 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 17 K 8.60 4.06 0.00 1.80 1.70 0.00 1.52 0.00 0.00 1.33 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.73 7.81 18 T 7.92 4.10 4.52 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 0.00 0.00 0.00 1.31 0.00 0.00 19 T 8.36 3.87 4.62 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 1.44 0.00 0.00 20 A 8.18 4.27 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.32 4.20 0.00 3.39 3.31 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 22 L 8.38 4.04 0.00 1.25 1.27 0.32 0.43 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 23 Q 8.05 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 24 N 8.13 4.29 0.00 2.71 2.81 0.00 0.00 7.07 7.48 0.00 0.00 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 I 7.21 3.82 1.01 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.10 -0.18 0.00 0.00 26 F 7.66 4.35 0.00 2.80 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 27 N 8.37 4.59 0.00 2.86 2.90 0.00 0.00 7.24 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 28 A 7.86 4.30 1.08 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 0.00 0.00 29 E 9.05 4.63 0.00 2.13 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 2.27 2.28 0.00 30 E 9.08 4.48 0.00 2.07 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 2.07 1.78 0.00 31 I 8.51 4.73 1.88 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 1.30 0.99 0.96 0.00 0.00 32 Y 7.58 4.83 0.00 2.88 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.18 4.26 0.00 3.92 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.69 4.37 0.00 3.99 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 *42 S 8.50 4.38 0.00 3.44 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.37 4.49 0.00 1.72 1.74 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.42 7.81 44 E 8.43 5.30 0.00 2.28 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 0.00 2.22 2.29 0.00 45 K 9.02 4.84 0.00 1.76 1.28 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.36 7.81 46 F 8.81 6.01 0.00 3.05 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 47 F 10.15 5.58 0.00 3.05 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 48 L 9.07 5.38 0.00 1.67 1.63 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.87 4.66 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.68 0.00 0.00 50 A 9.72 3.73 1.39 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 0.00 0.00 51 G 8.20 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.22 4.32 0.00 1.98 1.74 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.76 5.32 0.00 3.35 3.21 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 54 I 9.23 4.99 2.07 0.00 0.00 1.00 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 1.04 0.99 0.00 0.00 55 C 9.21 5.70 0.00 2.69 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 56 I 9.02 5.15 2.04 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.12 1.08 0.00 0.00 57 M 9.19 5.30 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 58 E 9.15 4.47 0.00 2.01 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 0.00 2.35 2.31 0.00 59 G 8.93 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 0.00 0.00 0.00 60 D 8.82 4.80 0.00 2.59 2.62 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 61 S 8.52 4.42 0.00 3.86 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 62 L 7.95 4.17 0.00 1.69 1.58 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.77 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 E 7.75 4.76 0.00 1.89 1.78 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 2.18 2.21 0.00 65 R 8.23 4.48 0.00 1.62 1.72 0.00 2.58 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.00 66 T 8.18 4.78 4.30 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 1.24 0.00 0.00 67 Y 8.51 4.65 0.00 2.84 3.01 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 68 N 7.56 4.31 0.00 2.75 2.63 0.00 0.00 6.74 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 69 H 7.53 4.58 0.00 3.01 3.01 0.00 5.46 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.67 4.41 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.91 0.46 0.00 0.00 71 A 8.31 5.17 1.12 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 0.00 0.00 0.00 0.00 0.00 72 F 9.50 4.72 0.00 3.13 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 73 Q 8.70 5.01 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 74 I 8.33 4.79 1.88 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 0.57 0.00 0.00 75 Q 8.91 4.56 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 76 S 8.64 4.09 0.00 4.00 4.14 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 0.00 0.00 0.00 77 E 8.16 4.35 0.00 1.97 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 2.39 0.00 78 E 8.35 4.59 0.00 2.23 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 2.24 2.32 0.00 79 V 7.45 3.64 2.10 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 1.15 0.00 0.00 1.01 0.00 0.00 80 D 8.15 4.36 0.00 2.78 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 81 E 8.08 3.77 0.00 1.87 1.94 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 1.88 2.15 0.00 82 Y 8.10 3.92 0.00 3.05 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 83 T 8.23 3.81 4.38 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 1.21 0.00 0.00 84 E 8.00 3.88 0.00 2.22 1.95 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 2.26 2.34 0.00 85 R 7.93 3.84 0.00 1.63 1.82 0.00 2.84 0.00 0.00 2.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 86 I 7.97 3.64 1.64 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.87 0.48 0.00 0.00 87 K 8.07 4.00 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 7.72 4.09 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 89 L 7.78 4.57 0.00 1.87 1.92 0.97 0.98 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 90 G 7.90 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 91 V 7.23 4.10 2.44 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 0.76 0.00 0.00 1.13 0.00 0.00 92 E 8.84 4.35 0.00 2.13 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 2.49 2.45 0.00 93 M 8.62 5.28 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 94 K 9.34 4.44 0.00 1.78 1.81 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.34 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.69 1.64 7.81 95 P 0.00 4.59 0.00 2.20 2.09 0.00 3.83 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 2.00 2.00 0.00 96 E 8.63 4.06 0.00 2.02 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 0.00 2.39 2.34 0.00 97 R 8.38 4.30 0.00 1.84 1.80 0.00 2.54 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 98 P 0.00 4.38 0.00 2.02 1.98 0.00 3.57 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 1.99 2.05 0.00 99 R 8.21 4.86 0.00 2.03 1.90 0.00 3.03 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 1.51 1.66 0.00 100 V 9.11 4.65 2.10 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 0.96 0.00 0.00 1.02 0.00 0.00 101 Q 8.43 4.17 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 102 G 8.90 4.05 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 0.00 0.00 0.00 103 E 7.50 4.28 0.00 2.18 1.97 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 2.38 2.28 0.00 104 G 8.46 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 0.00 0.00 0.00 0.00 105 R 8.35 4.86 0.00 1.77 1.85 0.00 3.10 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 106 S 8.55 5.24 0.00 3.81 3.45 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 0.00 107 I 8.53 4.62 1.95 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 1.27 0.80 0.97 0.00 0.00 108 Y 8.81 5.26 0.00 3.03 2.83 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 0.00 109 F 8.60 5.71 0.00 3.40 3.15 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 0.00 0.00 0.00 0.00 110 Y 8.89 5.14 0.00 2.95 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 0.00 111 D 8.32 4.12 0.00 1.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.77 4.82 0.00 3.04 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 0.00 113 D 9.16 4.91 0.00 2.69 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 0.00 114 N 8.43 4.22 0.00 2.84 2.90 0.00 0.00 7.06 8.16 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 0.00 115 H 8.43 4.83 0.00 3.48 2.75 0.00 5.80 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 0.00 116 L 8.29 3.98 0.00 1.37 1.53 0.21 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.77 4.78 0.00 2.18 2.57 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 0.00 118 E 8.85 4.90 0.00 1.55 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 119 L 8.76 5.18 0.00 1.63 1.42 0.25 0.83 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 0.00 120 H 9.31 5.35 0.00 3.48 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.58 5.01 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 0.00 122 G 8.25 4.08 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 0.00 0.00 0.00 123 T 8.48 4.56 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 1.22 0.00 0.00 124 L 8.25 3.96 0.00 1.77 1.71 0.90 0.78 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 0.00 125 E 8.21 3.97 0.00 2.17 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 0.00 2.30 2.44 0.00 126 E 7.89 4.11 0.00 2.18 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 2.34 2.33 0.00 127 R 7.64 4.07 0.00 1.82 2.13 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 128 L 8.16 4.42 0.00 1.77 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.90 3.98 0.00 2.04 1.93 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 130 R 7.93 4.00 0.00 1.95 1.83 0.00 3.33 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 131 Y 7.69 4.60 0.00 2.97 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 *132 H 7.82 4.39 0.00 2.92 2.80 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.