NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4008 8.3049 120.3476 54.8040 33.4325 175.1814 1 I 3.6836 8.1335 126.0176 61.7320 37.7429 174.0127 2 Q 4.9405 9.0576 122.8618 54.8284 33.7611 173.9026 3 R 4.8025 9.2073 122.0092 54.6348 34.3644 174.7510 4 T 4.9186 8.8539 119.7286 61.8459 69.3815 172.9404 5 P 4.8017 0.0000 0.0000 62.9302 32.4894 175.8412 6 K 4.5848 9.0633 121.8407 55.6989 33.9969 175.7625 7 I 5.2456 8.2934 123.1600 59.7586 40.9016 174.9421 8 Q 4.7168 9.1664 124.1202 54.3379 32.9104 173.9982 9 V 5.0509 8.5794 124.1651 61.5233 33.4558 174.0496 10 Y 5.2658 8.2072 123.8799 56.5852 41.5460 173.1918 11 S 5.1311 9.0050 114.9510 56.8026 64.9193 173.8968 12 R 4.1509 8.7090 123.2278 59.5495 29.9818 176.3155 13 H 5.0838 8.5340 113.1616 52.6574 31.7299 172.1046 14 P 4.2308 0.0000 0.0000 63.1147 31.5339 176.2263 15 A 4.2933 8.8176 126.0854 52.0993 18.8354 176.4528 16 E 4.7406 8.5324 122.2261 54.1368 32.7251 175.4167 17 N 4.5527 8.7293 121.2120 54.9780 39.0143 175.4608 18 G 3.9445 8.9010 111.0033 45.2213 0.0000 173.1344 19 K 4.6250 7.4942 118.8488 53.9507 35.0939 175.4254 20 S 4.4137 8.2638 116.2564 58.6163 64.3177 172.7039 21 N 4.9860 8.6073 120.0652 53.0036 43.0892 172.0797 22 F 5.3265 8.9159 116.9152 55.5779 42.6714 174.2893 23 L 4.0218 8.6949 126.3889 54.0480 43.1642 174.8901 24 N 5.2700 8.7487 124.2767 51.6226 41.5398 173.3800 25 C 5.1076 9.6241 122.7322 55.0907 43.3417 171.8243 26 Y 5.5192 9.1996 129.1877 56.7733 39.9841 174.4140 27 V 5.5110 9.0225 120.3882 58.7781 35.0682 176.1319 28 S 5.0040 7.7859 115.7921 58.5868 64.0843 174.5131 *29 G 3.8798 8.2742 109.8799 45.1280 0.0000 174.0032 30 F 5.1809 7.6887 115.9073 56.3325 41.0487 173.7213 31 H 5.1704 8.6589 116.6807 54.8839 33.7751 172.3012 32 P 5.0476 0.0000 0.0000 62.4924 32.3231 175.9097 33 S 4.3114 8.7418 112.9641 60.7011 63.2246 173.1619 34 D 4.3563 8.1498 120.3608 55.0538 40.3546 175.3538 35 I 4.7435 7.9443 123.0903 59.2496 41.7218 173.8361 36 E 4.5881 8.9352 127.1026 54.5507 32.0771 175.1123 37 V 4.6484 8.0435 123.9947 60.9899 34.3987 174.3121 38 D 4.8270 9.0097 126.3074 52.5994 45.4466 174.3955 39 L 5.0852 8.3645 120.8030 53.3459 44.5530 175.3737 40 L 5.7733 8.7673 121.0508 51.9109 45.6817 175.4242 41 K 4.0573 8.5958 124.3159 54.4750 33.9949 175.1339 42 N 4.0953 9.3623 127.8827 54.5768 35.8864 175.2558 43 G 3.8940 7.9903 102.0399 45.7070 0.0000 171.4526 44 E 4.6598 7.3370 119.9629 53.5808 32.2533 175.0687 45 R 4.4165 8.4150 124.9997 56.3205 30.8322 175.7314 46 I 4.3535 8.2158 126.3589 60.2809 38.5648 175.9036 47 E 4.1521 8.8752 124.8954 58.8966 30.0363 178.0687 48 K 4.3001 7.6845 118.7706 55.1413 31.3569 174.7696 49 V 4.5366 7.4615 122.9418 61.8528 34.0322 174.4880 50 E 4.7535 8.7233 126.6124 54.5959 33.0772 174.5216 51 H 5.0943 7.8472 116.1210 53.6264 31.9252 173.1982 52 S 4.5987 8.6639 115.4268 57.8273 64.6744 172.9602 53 D 4.5722 8.4325 119.5549 53.1655 41.4017 176.2997 54 L 3.9508 8.4842 125.6780 56.0153 42.7116 175.7370 55 S 4.6916 8.1036 119.9404 56.9462 66.7033 171.6097 56 F 5.3433 7.6400 114.6921 56.3246 40.9196 173.4908 57 S 4.7996 8.9673 116.0115 56.4461 65.0678 175.0957 58 K 3.5394 8.7186 121.6981 60.0816 31.5406 177.1126 59 D 4.5403 7.9057 114.2377 53.0224 39.2107 176.8132 60 W 3.3534 7.8744 118.1663 57.1694 27.6461 174.5628 61 S 4.2980 7.7314 114.3047 58.2161 64.0791 173.7687 62 F 5.2474 8.3895 120.9666 57.0034 40.6584 174.3086 63 Y 5.5570 8.2055 117.6726 56.0600 41.8820 173.8984 64 L 4.9583 9.7698 119.7857 53.5669 47.0897 174.3453 65 L 5.3489 9.4184 125.6673 53.9186 44.1132 174.4445 66 Y 5.1297 9.0387 124.5885 56.6542 40.4022 174.4801 67 Y 5.8158 8.2426 120.3937 57.3896 42.1188 173.2419 68 T 4.7541 8.3019 111.3989 61.1565 70.6646 172.2504 69 E 4.0315 8.8813 127.5668 56.5460 30.3236 175.9946 70 F 4.6793 8.5545 115.8204 56.4915 41.7649 172.9784 71 T 4.6433 8.0742 116.5267 60.0845 70.3570 172.5203 72 P 4.6124 0.0000 0.0000 62.9945 32.8663 176.2914 73 T 4.9688 8.2940 111.4234 60.3663 71.5236 172.5901 74 E 4.2862 8.8534 119.9338 57.7863 30.1998 177.6533 75 K 4.4043 7.9229 116.4349 57.6134 33.7086 176.8623 76 D 4.4299 8.1541 118.5622 54.3783 41.3863 175.2681 77 E 4.9430 8.4401 122.5521 54.9388 32.3213 174.5142 78 Y 5.8750 9.0710 119.3468 55.7320 42.5765 174.0994 79 A 5.0124 8.3533 121.9634 51.3708 23.6440 175.1745 80 C 5.2345 9.1768 118.3923 54.9900 45.6337 172.5123 81 R 5.0195 9.0452 127.1961 54.7113 31.8426 174.8536 82 V 4.8227 8.9096 126.0527 61.0677 34.9641 173.6207 83 N 5.2876 8.8067 125.5490 52.2596 42.6837 172.3427 84 H 4.7311 8.4301 120.2822 55.4447 32.5588 175.0806 85 V 3.7235 8.6038 124.1016 65.0297 31.2742 177.3815 86 T 4.1540 8.0627 108.8899 62.6093 69.2888 173.6033 87 L 4.9225 7.9086 123.6982 53.0302 43.2728 176.9025 88 S 4.3684 8.6624 117.9656 60.4501 63.6549 174.4169 89 Q 4.5314 7.6399 116.6786 53.1884 31.2867 172.3338 90 P 4.2934 0.0000 0.0000 63.5099 31.9632 175.4067 91 K 4.4301 9.0780 126.2182 55.5045 33.8335 175.1960 92 I 5.0231 8.3124 126.9502 59.5010 40.1813 175.1514 93 V 4.3907 8.6827 125.6470 60.7600 34.1223 174.9543 94 K 4.6537 8.8184 127.7588 56.1104 32.8762 176.7684 95 W 4.5500 9.4922 135.0000 57.4289 31.3966 174.9762 96 D 4.5115 8.6436 126.6591 52.0196 41.9968 175.4192 97 R 3.7427 7.6464 124.6210 58.0704 29.7477 176.3474 98 D 4.4572 7.3682 117.4756 51.8658 40.9372 175.2330 99 M 3.4985 8.7436 122.8449 55.8047 32.1603 177.0099 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 0 M 8.30 4.40 0.00 2.00 2.03 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 2.56 0.00 1 I 8.13 3.68 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.83 0.00 0.00 2 Q 9.06 4.94 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 3 R 9.21 4.80 0.00 1.92 1.92 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 4 T 8.85 4.92 4.28 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 1.24 0.00 0.00 5 P 0.00 4.80 0.00 2.00 1.88 0.00 3.72 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 6 K 9.06 4.58 0.00 1.76 1.80 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 I 8.29 5.25 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 1.34 0.62 0.97 0.00 0.00 8 Q 9.17 4.72 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 9 V 8.58 5.05 2.33 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 0.95 0.00 0.00 1.09 0.00 0.00 10 Y 8.21 5.27 0.00 3.27 3.13 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 11 S 9.01 5.13 0.00 4.27 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 12 R 8.71 4.15 0.00 1.91 2.25 0.00 3.21 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 13 H 8.53 5.08 0.00 3.22 3.21 0.00 5.74 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 14 P 0.00 4.23 0.00 2.10 2.09 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 15 A 8.82 4.29 1.64 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 0.00 0.00 16 E 8.53 4.74 0.00 1.99 1.82 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 2.30 2.48 0.00 17 N 8.73 4.55 0.00 2.73 2.78 0.00 0.00 7.21 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 18 G 8.90 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 0.00 0.00 0.00 19 K 7.49 4.62 0.00 1.80 1.62 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 20 S 8.26 4.41 0.00 3.73 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 21 N 8.61 4.99 0.00 2.51 2.39 0.00 0.00 6.83 8.06 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 22 F 8.92 5.33 0.00 2.95 2.89 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 0.00 0.00 0.00 23 L 8.69 4.02 0.00 0.27 0.64 -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.75 5.27 0.00 1.61 1.93 0.00 0.00 5.95 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 25 C 9.62 5.11 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.20 5.52 0.00 3.43 3.17 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 27 V 9.02 5.51 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 0.46 0.00 0.00 1.09 0.00 0.00 28 S 7.79 5.00 0.00 3.80 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 *29 G 8.27 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 0.00 0.00 0.00 30 F 7.69 5.18 0.00 2.96 3.11 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 31 H 8.66 5.17 0.00 3.17 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.05 0.00 2.20 2.22 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 33 S 8.74 4.31 0.00 3.58 2.63 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 34 D 8.15 4.36 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.94 4.74 1.49 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.81 0.80 0.00 0.00 36 E 8.94 4.59 0.00 1.84 1.73 0.00 0.00 0.00 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 2.15 0.00 37 V 8.04 4.65 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 0.00 0.00 0.18 0.00 0.00 0.51 0.00 0.00 38 D 9.01 4.83 0.00 2.48 2.41 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 39 L 8.36 5.09 0.00 1.55 1.50 0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.77 5.77 0.00 1.55 1.65 0.91 0.76 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 41 K 8.60 4.06 0.00 1.90 1.64 0.00 2.12 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.23 0.82 7.81 42 N 9.36 4.10 0.00 2.77 2.77 0.00 0.00 7.02 8.27 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 43 G 7.99 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.34 4.66 0.00 2.05 1.86 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 2.17 2.18 0.00 45 R 8.41 4.42 0.00 1.79 1.80 0.00 3.25 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 46 I 8.22 4.35 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.92 0.00 0.00 47 E 8.88 4.15 0.00 1.96 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 2.30 2.29 0.00 48 K 7.68 4.30 0.00 1.86 1.85 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.42 7.81 49 V 7.46 4.54 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 0.95 0.00 0.00 0.98 0.00 0.00 50 E 8.72 4.75 0.00 1.16 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 2.08 2.11 0.00 51 H 7.85 5.09 0.00 2.09 1.50 0.00 5.72 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 52 S 8.66 4.60 0.00 3.96 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 53 D 8.43 4.57 0.00 2.67 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 54 L 8.48 3.95 0.00 1.58 1.55 0.72 0.46 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 55 S 8.10 4.69 0.00 3.72 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 56 F 7.64 5.34 0.00 2.92 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 57 S 8.97 4.80 0.00 4.15 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 58 K 8.72 3.54 0.00 1.62 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.34 7.81 59 D 7.91 4.54 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.87 3.35 0.00 3.20 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 61 S 7.73 4.30 0.00 3.84 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 62 F 8.39 5.25 0.00 1.54 2.41 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 63 Y 8.21 5.56 0.00 3.05 2.96 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 64 L 9.77 4.96 0.00 1.87 1.69 1.15 0.57 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 65 L 9.42 5.35 0.00 2.01 1.74 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.04 5.13 0.00 2.92 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 67 Y 8.24 5.82 0.00 3.10 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 68 T 8.30 4.75 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 1.03 0.00 0.00 69 E 8.88 4.03 0.00 1.73 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 1.49 2.20 0.00 70 F 8.55 4.68 0.00 2.86 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 71 T 8.07 4.64 4.15 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 1.13 0.00 0.00 72 P 0.00 4.61 0.00 2.15 2.29 0.00 3.35 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.25 0.00 73 T 8.29 4.97 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 1.33 0.00 0.00 74 E 8.85 4.29 0.00 1.98 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 2.27 2.34 0.00 75 K 7.92 4.40 0.00 1.80 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.45 7.81 76 D 8.15 4.43 0.00 2.89 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 77 E 8.44 4.94 0.00 1.85 1.85 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 2.35 2.32 0.00 78 Y 9.07 5.88 0.00 2.95 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 79 A 8.35 5.01 1.29 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 80 C 9.18 5.23 0.00 2.97 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 81 R 9.05 5.02 0.00 1.85 1.70 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 82 V 8.91 4.82 2.01 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 0.82 0.00 0.00 0.82 0.00 0.00 83 N 8.81 5.29 0.00 2.74 2.53 0.00 0.00 6.43 7.76 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 84 H 8.43 4.73 0.00 3.06 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.60 3.72 2.01 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 0.71 0.00 0.00 0.92 0.00 0.00 86 T 8.06 4.15 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 1.38 0.00 0.00 87 L 7.91 4.92 0.00 1.76 1.79 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.66 4.37 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.53 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 90 P 0.00 4.29 0.00 1.93 2.05 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 91 K 9.08 4.43 0.00 1.82 1.64 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 I 8.31 5.02 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 1.22 0.77 0.93 0.00 0.00 93 V 8.68 4.39 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 1.07 0.00 0.00 0.97 0.00 0.00 94 K 8.82 4.65 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.49 4.55 0.00 3.27 3.43 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 96 D 8.64 4.51 0.00 2.60 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 97 R 7.65 3.74 0.00 1.78 1.26 0.00 2.88 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.26 0.00 98 D 7.37 4.46 0.00 2.65 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 99 M 8.74 3.50 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.