NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1196 8.1733 120.0761 56.2416 34.6323 173.9235 3 I 4.7536 8.2746 123.4074 58.8199 39.5837 169.3699 4 V 5.0199 9.1282 127.4937 61.1717 35.2751 174.3826 5 V 5.5462 7.9987 125.3804 59.1139 35.1976 173.2482 *7 G 3.9824 8.1504 105.0523 46.4706 0.0000 172.3744 8 D 5.3302 8.4566 118.7577 52.0762 40.9171 177.3214 9 S 4.0936 8.8097 115.7148 62.0369 62.8458 176.6789 10 D 4.3887 8.1855 120.6330 57.7760 40.5454 178.8932 11 T 4.0062 8.0570 115.6527 66.7100 68.4394 176.5605 12 V 3.6364 8.0195 120.4644 66.2966 31.5281 178.4707 13 V 3.7193 8.3039 119.1624 64.6286 31.1041 178.6219 14 G 3.5198 8.1229 106.0961 47.8170 0.0000 175.8839 15 F 3.9454 8.7851 121.1053 59.9226 38.7694 177.8734 16 R 4.0766 8.4301 118.7915 59.4593 29.6828 178.6206 17 L 4.0590 7.8212 117.5230 57.0789 41.6974 178.3233 18 A 4.2700 7.6050 118.5912 51.9207 18.7622 176.9636 19 G 3.6593 7.5289 105.6294 45.2601 0.0000 175.2922 20 V 3.6980 7.6838 120.9207 63.4365 32.1031 175.4291 21 H 4.4153 9.0500 124.6572 58.6255 29.0227 175.4301 22 E 4.7779 8.3142 116.4099 54.3492 33.1765 174.9117 23 A 5.0059 7.9255 123.2312 50.4843 22.3831 174.9401 24 Y 4.5330 8.8352 119.6883 56.0948 40.7719 175.4713 25 E 4.5727 8.5877 123.8782 56.4075 30.6022 175.6571 26 Y 4.9331 8.9357 119.4085 57.1269 43.1117 174.4633 27 D 5.1507 8.5455 122.5078 52.1779 42.0003 176.1150 28 E 4.4772 8.5707 118.7028 56.6253 29.8406 177.2528 29 S 4.3559 9.1063 116.4818 57.9705 64.9322 175.0730 30 L 3.9618 8.4668 123.5680 58.1080 41.4826 179.6926 31 E 3.9493 8.1284 116.9402 59.5958 29.5296 178.9836 32 S 4.1955 8.0643 113.8623 61.0108 62.4642 176.2895 33 V 3.4824 8.0738 121.2759 65.8719 31.3599 177.6641 34 E 3.9067 8.4135 119.2662 59.2731 29.3950 179.0529 35 R 3.9820 7.9853 118.0250 58.8568 30.0039 178.8497 36 A 3.2361 7.6135 120.8378 54.6922 18.2075 179.7049 37 R 3.7499 7.8439 116.5668 59.6446 30.2031 179.0180 38 N 4.2806 7.8786 115.5250 56.0805 38.4164 177.3735 39 K 3.7720 8.1055 121.0794 59.2701 32.2924 178.3897 40 L 3.8360 7.9922 120.8623 58.3699 41.7769 178.8881 41 R 3.8585 7.6326 116.9901 59.4648 30.3123 177.7509 42 E 4.0632 8.1066 119.1308 59.1593 29.7392 178.7268 43 L 4.0301 8.1884 119.3506 57.7371 41.3953 179.4999 44 L 4.0544 7.7135 118.2306 57.3646 41.6229 178.5179 45 E 4.2614 7.7700 115.9669 56.2736 30.1363 176.8666 46 R 4.3306 7.1051 118.5304 55.6877 30.9457 176.4899 47 D 4.6178 8.6838 121.1642 55.7903 41.3819 176.8053 48 D 4.7301 8.0477 117.3154 52.6328 39.6308 176.0176 49 V 4.3745 7.7861 119.6095 61.7652 32.5563 174.7943 50 G 3.7682 8.8086 115.4280 46.8452 0.0000 172.6625 51 I 5.1392 7.4927 120.3378 59.4451 41.7268 174.3778 52 I 4.8375 8.9512 127.3696 59.5872 40.1053 174.3174 53 L 5.0518 9.3705 128.9090 53.0679 43.7462 175.6524 54 I 4.9005 8.6487 123.9746 58.9035 41.7135 174.9043 55 T 4.2912 8.5212 118.6351 61.6259 69.5647 174.6118 56 E 3.8739 8.9898 123.9722 59.6241 29.5278 179.2784 57 R 3.8643 7.9902 117.4857 59.3339 30.1975 178.3332 58 L 3.8703 7.7485 119.2117 58.3342 42.1198 178.8668 59 A 3.9754 7.9081 120.4508 55.5317 18.0570 179.6924 60 Q 3.9954 7.9312 115.2859 58.8564 28.8199 178.7530 61 R 4.0576 8.0065 119.0374 59.1567 30.1637 178.7316 62 I 3.8032 7.8763 119.1851 62.0999 37.3497 176.7271 63 G 3.9675 8.4892 108.8053 44.3905 0.0000 175.0754 64 S 4.1686 8.9491 111.0243 57.7912 63.8083 171.9143 65 L 4.7247 8.1147 128.8448 52.1245 44.2769 174.0602 66 P 4.3317 0.0000 0.0000 64.0220 31.7601 176.4873 67 E 4.6429 8.4199 115.0046 55.7330 30.4417 177.6174 68 V 3.9929 7.5966 112.6960 62.3026 32.3192 175.8101 69 K 4.3396 8.5110 121.3366 57.2566 33.1486 176.4934 70 F 4.6011 7.8416 119.3728 55.1789 42.1309 172.0160 71 P 3.0467 0.0000 0.0000 62.2382 32.6698 175.2406 72 I 4.1183 8.1531 121.2797 60.5223 38.3014 175.2446 73 I 4.8906 8.2902 127.9990 59.5387 38.9672 175.0859 74 L 4.8395 8.9422 126.8648 52.9920 45.2806 175.7538 75 Q 4.9096 8.7019 121.6116 54.9981 30.7287 175.0136 76 I 4.3909 8.3128 123.9632 58.9621 39.0048 173.6218 77 P 4.7129 0.0000 0.0000 62.5059 31.7001 176.1631 78 D 4.2930 8.5122 125.5970 54.8868 41.8277 176.0412 *86 E 4.1705 8.5212 120.4850 56.8030 31.0740 177.2658 87 D 5.8180 8.2284 121.0487 50.3684 42.0518 174.3384 88 I 3.7730 8.0444 124.2213 65.1094 36.9613 177.9089 89 L 3.9047 8.8212 121.5089 58.3752 42.1964 179.2610 90 R 3.9665 8.1047 117.5056 59.0330 29.9109 178.5234 91 D 4.3443 8.6063 120.8553 57.9447 41.2415 179.2656 92 V 3.6276 7.6863 119.9676 66.1914 31.4411 180.3097 93 V 3.8486 7.7294 120.4078 66.1433 31.5842 178.8502 94 R 4.0876 7.8254 120.3049 61.5540 29.1377 182.0221 95 R 4.1269 8.1075 118.0672 58.9778 30.1377 178.8362 96 A 4.1214 8.0245 119.4994 54.3034 19.6063 178.7937 97 I 4.2570 7.4857 120.2956 60.2845 33.7730 176.0546 98 G 4.0867 7.3538 103.4338 45.2423 0.0000 172.4710 99 V 3.7412 7.7471 125.0811 62.7783 31.5491 175.6487 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 K 8.17 4.12 0.00 1.78 1.76 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.59 7.81 3 I 8.27 4.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.97 0.00 0.00 4 V 9.13 5.02 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 1.30 0.00 0.00 1.03 0.00 0.00 5 V 8.00 5.55 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 0.99 0.00 0.00 0.66 0.00 0.00 *7 G 8.15 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 8 D 8.46 5.33 0.00 2.86 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 9 S 8.81 4.09 0.00 3.89 3.96 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 10 D 8.19 4.39 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 11 T 8.06 4.01 4.45 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 1.14 0.00 0.00 12 V 8.02 3.64 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 1.09 0.00 0.00 0.99 0.00 0.00 13 V 8.30 3.72 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 0.82 0.00 0.00 0.93 0.00 0.00 14 G 8.12 3.52 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 0.00 0.00 0.00 0.00 15 F 8.79 3.95 0.00 3.04 3.16 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 16 R 8.43 4.08 0.00 1.98 1.92 0.00 3.38 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 17 L 7.82 4.06 0.00 1.89 1.68 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.61 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.53 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.68 3.70 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 0.96 0.00 0.00 1.17 0.00 0.00 21 H 9.05 4.42 0.00 3.20 3.37 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.31 4.78 0.00 1.94 1.66 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 0.00 2.15 2.23 0.00 23 A 7.93 5.01 1.07 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 24 Y 8.84 4.53 0.00 2.94 2.64 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 25 E 8.59 4.57 0.00 1.67 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 2.24 2.32 0.00 26 Y 8.94 4.93 0.00 2.88 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 27 D 8.55 5.15 0.00 2.79 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 28 E 8.57 4.48 0.00 1.99 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 0.00 2.27 2.30 0.00 29 S 9.11 4.36 0.00 4.02 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 30 L 8.47 3.96 0.00 1.71 1.76 0.92 0.80 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 31 E 8.13 3.95 0.00 2.20 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 0.00 2.38 2.40 0.00 32 S 8.06 4.20 0.00 4.05 4.17 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 0.00 0.00 0.00 0.00 33 V 8.07 3.48 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 0.91 0.00 0.00 0.97 0.00 0.00 34 E 8.41 3.91 0.00 2.19 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 0.00 2.29 2.37 0.00 35 R 7.99 3.98 0.00 2.24 2.11 0.00 3.22 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 36 A 7.61 3.24 0.59 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 0.00 0.00 37 R 7.84 3.75 0.00 1.98 1.93 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 38 N 7.88 4.28 0.00 2.85 2.83 0.00 0.00 6.74 6.71 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 39 K 8.11 3.77 0.00 1.85 1.90 0.00 0.82 0.00 0.00 1.29 0.00 0.00 2.73 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.22 1.31 7.81 40 L 7.99 3.84 0.00 1.83 1.67 0.86 0.93 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 41 R 7.63 3.86 0.00 1.82 2.10 0.00 3.29 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 42 E 8.11 4.06 0.00 2.05 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 2.27 2.32 0.00 43 L 8.19 4.03 0.00 1.81 1.69 0.89 0.87 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 44 L 7.71 4.05 0.00 1.76 1.73 0.90 0.91 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 45 E 7.77 4.26 0.00 2.13 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 2.33 2.34 0.00 46 R 7.11 4.33 0.00 1.99 2.10 0.00 3.17 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 47 D 8.68 4.62 0.00 2.69 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 48 D 8.05 4.73 0.00 2.79 2.77 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 49 V 7.79 4.37 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 0.82 0.00 0.00 0.96 0.00 0.00 50 G 8.81 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 51 I 7.49 5.14 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.94 0.00 0.00 52 I 8.95 4.84 1.82 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 1.21 0.77 0.90 0.00 0.00 53 L 9.37 5.05 0.00 1.38 1.38 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.65 4.90 1.83 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 1.24 1.70 0.93 0.00 0.00 55 T 8.52 4.29 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 1.16 0.00 0.00 56 E 8.99 3.87 0.00 2.29 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 2.47 2.34 0.00 57 R 7.99 3.86 0.00 1.86 1.97 0.00 3.36 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 58 L 7.75 3.87 0.00 1.72 1.65 0.80 1.56 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 59 A 7.91 3.98 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 60 Q 7.93 4.00 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 61 R 8.01 4.06 0.00 1.91 1.96 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 62 I 7.88 3.80 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.88 0.00 0.00 63 G 8.49 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 64 S 8.95 4.17 0.00 3.82 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 65 L 8.11 4.72 0.00 1.56 1.47 0.88 0.96 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 66 P 0.00 4.33 0.00 2.05 1.97 0.00 3.65 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 2.00 2.07 0.00 67 E 8.42 4.64 0.00 1.95 1.77 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 2.12 1.86 0.00 68 V 7.60 3.99 2.24 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 0.83 0.00 0.00 0.97 0.00 0.00 69 K 8.51 4.34 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 70 F 7.84 4.60 0.00 3.01 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 71 P 0.00 3.05 0.00 1.83 1.84 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 72 I 8.15 4.12 1.77 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 1.22 0.38 0.88 0.00 0.00 73 I 8.29 4.89 1.83 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 1.28 0.50 0.87 0.00 0.00 74 L 8.94 4.84 0.00 1.50 1.50 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.70 4.91 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 76 I 8.31 4.39 1.77 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.97 0.00 0.00 77 P 0.00 4.71 0.00 1.96 2.01 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 78 D 8.51 4.29 0.00 2.63 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 *86 E 8.52 4.17 0.00 2.05 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 2.13 1.88 0.00 87 D 8.23 5.82 0.00 2.53 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 88 I 8.04 3.77 1.88 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 0.74 0.91 0.00 0.00 89 L 8.82 3.90 0.00 1.73 1.76 1.02 0.99 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 90 R 8.10 3.97 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 91 D 8.61 4.34 0.00 2.93 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 92 V 7.69 3.63 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 0.93 0.00 0.00 93 V 7.73 3.85 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 0.93 0.00 0.00 0.99 0.00 0.00 94 R 7.83 4.09 0.00 1.90 1.92 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 95 R 8.11 4.13 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 96 A 8.02 4.12 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 97 I 7.49 4.26 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 1.45 0.90 0.90 0.00 0.00 98 G 7.35 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 99 V 7.75 3.74 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 0.78 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.