NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9705 8.3393 109.7413 44.3059 0.0000 173.1141 5 T 4.4142 7.5966 111.5073 58.2869 71.3395 168.6004 6 V 4.5108 8.8554 118.0849 59.3620 35.3345 176.1656 7 W 4.5949 8.7881 122.9147 54.8955 30.7853 175.7463 8 G 4.2645 8.6952 110.5222 43.5089 0.0000 171.7614 9 A 4.7757 8.0711 120.6064 49.4265 21.8881 175.5011 10 L 4.1407 8.6451 123.6994 56.9641 42.3643 177.6062 11 G 3.9419 9.0305 113.8360 45.6367 0.0000 172.7914 12 H 4.7236 7.9213 116.1095 54.3083 30.6013 174.3645 13 G 4.0329 7.9692 110.2121 44.6580 0.0000 172.5943 14 I 4.0557 7.5064 115.1889 60.2781 40.3322 172.8717 15 N 4.6662 8.6494 123.9011 51.3283 39.6113 174.7538 16 L 4.2171 8.0988 124.4753 53.9175 41.5319 176.3466 17 N 4.7500 8.6376 122.2169 52.1653 39.3701 175.3827 18 I 3.8431 8.6283 124.4037 60.5785 37.4314 174.2181 19 P 4.1520 0.0000 0.0000 64.7026 31.5308 176.6174 20 N 4.0997 8.8928 114.1269 53.4709 35.3225 172.2844 21 F 4.7188 7.5712 118.6381 57.0941 42.5905 172.8255 22 Q 4.1593 7.6225 127.6598 53.6778 31.3755 174.4728 23 M 3.8218 8.3282 125.4217 55.7296 32.5978 174.9985 24 T 4.6836 8.0380 115.0584 59.5949 71.9076 173.3779 25 D 4.6074 8.5499 119.4370 55.9709 40.9661 176.6135 26 D 4.8504 7.6820 119.0186 54.2801 41.0436 175.9013 27 I 4.5102 7.7516 120.2212 59.8327 39.3246 174.7349 28 D 4.5616 8.8121 125.1587 56.0126 42.4820 175.5674 29 E 5.6654 7.8774 116.2544 53.5083 33.2837 174.3716 30 V 4.4192 8.5537 124.8315 61.0724 34.7200 173.8169 31 R 5.1207 8.5063 127.5150 54.3176 32.7768 174.0809 32 W 4.8132 9.3238 126.3089 55.0599 31.6252 174.8127 33 E 5.1772 8.9147 122.5830 54.7324 33.7637 175.5843 34 R 4.2948 8.8292 121.7879 54.2296 32.5194 175.5121 35 G 3.7814 8.8485 119.2703 47.0890 0.0000 173.6727 36 S 4.4718 8.7423 119.2409 58.4490 63.6047 173.9825 37 T 4.2334 7.8951 119.7656 62.6451 69.1907 173.5346 38 L 4.5823 8.3351 128.0798 54.2457 42.6643 176.0072 39 V 4.0551 8.8042 126.9692 65.1929 32.0782 175.8468 40 A 4.8505 7.8575 119.8808 50.9983 22.7935 174.3955 41 E 5.1954 8.5541 118.9377 55.2066 32.9722 174.0481 42 F 5.1206 9.3227 128.9307 56.3037 42.6076 173.6375 43 K 4.3395 8.1297 126.3091 55.0904 34.2061 175.7187 44 R 3.9510 8.5391 128.0350 59.2063 30.0501 177.7928 45 K 3.9807 8.4009 118.8993 55.7552 32.7773 174.9264 *48 P 4.2947 0.0000 0.0000 62.4477 32.4949 175.5715 49 F 4.6073 8.5021 121.3303 57.0790 40.3116 175.0280 50 L 4.4233 7.0325 126.3629 52.5705 45.1166 175.9645 51 K 3.7101 8.5072 125.4806 59.4153 32.2592 175.7433 52 S 4.5267 7.5593 110.6176 57.6423 65.0917 174.9992 53 G 3.6782 8.6157 107.8160 47.3077 0.0000 174.1898 54 A 4.0938 7.8484 122.1521 52.8022 18.5928 176.5395 55 F 5.9508 7.6425 114.0333 54.8443 43.5303 174.1345 56 E 4.7804 8.5333 114.4500 55.7390 32.2588 173.9823 57 I 4.8267 8.3886 123.0467 59.4009 39.6537 175.4388 58 L 4.3132 9.0223 129.8771 53.8019 42.6529 177.8939 59 A 4.0074 8.7115 122.7054 55.6651 18.0521 179.0399 60 N 4.3869 8.0172 110.1607 54.3614 37.4253 175.8187 61 G 3.9882 8.1329 107.7778 45.1133 0.0000 173.4308 62 D 4.6104 8.6465 120.1489 53.9560 42.3884 174.9894 63 L 4.9069 8.3530 123.3376 53.6895 43.6567 175.2901 64 K 4.4523 9.2609 128.8235 54.9539 34.0451 174.8552 65 I 4.2929 8.1843 128.9519 59.7532 37.6845 175.7495 66 K 4.0286 8.7228 128.0595 58.7734 32.4414 177.4616 67 N 4.7350 7.6710 118.4289 51.2513 40.6714 173.4771 68 L 4.3539 8.4094 126.6396 54.8015 42.5607 176.6270 69 T 4.7401 8.2190 110.7711 59.3799 72.3219 174.6601 70 R 3.8539 8.7598 122.0105 59.7442 29.9141 177.5979 71 D 4.7266 8.1070 112.9343 54.4517 39.2526 176.0478 72 D 4.8989 8.0537 119.4676 54.6311 41.7491 176.9123 73 S 4.6131 7.6751 114.0700 57.9181 64.2538 173.8389 74 G 3.7491 8.0149 107.3186 44.5434 0.0000 171.7326 75 T 5.0076 8.1319 117.0798 62.4204 69.9826 174.0621 76 Y 4.6020 9.1357 124.6876 56.3290 40.3814 174.3663 77 N 5.2950 8.8486 121.9488 51.8053 40.4855 174.5036 78 V 4.5366 8.7253 123.6911 61.4857 34.4574 174.5315 79 T 5.0045 8.3990 122.4947 61.9046 72.3128 173.1884 80 V 4.5022 8.2699 125.6444 61.1890 34.4361 173.7090 81 Y 5.2463 8.6104 124.5414 56.0424 41.0328 175.9380 82 S 4.5245 9.2661 118.9972 57.5147 64.5015 175.0515 83 T 3.8741 8.6264 110.3260 64.9741 68.0509 174.5188 84 N 4.6581 8.1690 117.1757 52.6217 37.3679 175.9947 85 G 3.9454 8.1428 105.9860 46.4991 0.0000 174.6117 86 T 3.9618 7.6389 116.9531 63.0457 68.6830 173.8423 87 R 4.0060 8.6078 127.2708 56.3073 29.0651 175.6707 88 I 4.0949 7.9699 119.7855 62.3932 38.7607 175.6846 89 L 4.4578 7.3518 123.4505 54.3763 45.6775 174.1038 90 D 4.5395 8.3792 122.9734 53.9300 42.5431 174.0128 91 K 4.8181 8.8966 124.8761 54.2206 36.5101 175.1040 92 A 5.0249 8.3320 121.8397 50.6818 21.7638 175.3699 93 L 4.6045 9.0527 123.3825 53.1858 44.3509 175.6087 94 D 4.9936 8.7683 124.2135 53.0370 41.4882 174.9492 95 L 4.4158 9.1539 129.9142 54.3789 43.0390 175.4257 96 R 5.0304 8.6360 125.2572 54.4387 32.7644 175.7541 97 I 4.4476 8.1703 122.5924 59.2236 39.7315 175.1103 98 L 4.2220 8.5181 127.5844 54.6359 42.8227 176.2446 99 E 4.2768 8.6863 123.9901 56.5416 29.6902 175.7548 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 4 G 8.34 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 5 T 7.60 4.41 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 1.19 0.00 0.00 6 V 8.86 4.51 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 0.81 0.00 0.00 0.90 0.00 0.00 7 W 8.79 4.59 0.00 3.27 3.14 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 8 G 8.70 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 0.00 0.00 0.00 0.00 9 A 8.07 4.78 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 10 L 8.65 4.14 0.00 1.64 1.65 0.94 1.12 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 11 G 9.03 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 12 H 7.92 4.72 0.00 3.34 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.97 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.51 4.06 1.87 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 1.39 0.61 0.86 0.00 0.00 15 N 8.65 4.67 0.00 2.70 2.70 0.00 0.00 7.01 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 16 L 8.10 4.22 0.00 0.98 1.63 0.71 1.05 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 17 N 8.64 4.75 0.00 2.78 2.85 0.00 0.00 7.20 7.45 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 18 I 8.63 3.84 2.12 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 1.53 0.77 0.62 0.00 0.00 19 P 0.00 4.15 0.00 2.04 2.05 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 20 N 8.89 4.10 0.00 2.81 2.89 0.00 0.00 6.89 7.45 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 21 F 7.57 4.72 0.00 2.87 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 22 Q 7.62 4.16 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 23 M 8.33 3.82 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 24 T 8.04 4.68 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 1.16 0.00 0.00 25 D 8.55 4.61 0.00 2.69 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 26 D 7.68 4.85 0.00 2.68 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 27 I 7.75 4.51 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.14 1.12 0.00 0.00 28 D 8.81 4.56 0.00 2.78 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 0.00 0.00 0.00 0.00 29 E 7.88 5.67 0.00 1.86 1.68 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 2.16 2.28 0.00 30 V 8.55 4.42 2.35 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 0.95 0.00 0.00 1.12 0.00 0.00 31 R 8.51 5.12 0.00 1.92 1.67 0.00 3.32 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 32 W 9.32 4.81 0.00 3.29 3.06 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 33 E 8.91 5.18 0.00 1.80 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 0.00 2.22 2.29 0.00 34 R 8.83 4.29 0.00 1.85 1.78 0.00 3.20 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 35 G 8.85 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 0.00 0.00 0.00 36 S 8.74 4.47 0.00 3.98 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 37 T 7.90 4.23 4.42 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 1.22 0.00 0.00 38 L 8.34 4.58 0.00 1.58 1.59 1.08 0.95 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 39 V 8.80 4.06 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 0.74 0.00 0.00 0.98 0.00 0.00 40 A 7.86 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.55 5.20 0.00 2.01 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 2.23 2.34 0.00 42 F 9.32 5.12 0.00 3.16 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 43 K 8.13 4.34 0.00 1.63 1.51 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 1.36 7.81 44 R 8.54 3.95 0.00 1.58 1.91 0.00 3.48 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.05 0.00 45 K 8.40 3.98 0.00 1.92 1.72 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 *48 P 0.00 4.29 0.00 2.08 2.07 0.00 3.77 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 49 F 8.50 4.61 0.00 2.97 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 50 L 7.03 4.42 0.00 1.42 1.58 0.95 0.91 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 51 K 8.51 3.71 0.00 1.62 1.70 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.49 7.81 52 S 7.56 4.53 0.00 4.04 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 53 G 8.62 3.68 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 0.00 0.00 0.00 54 A 7.85 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.64 5.95 0.00 2.83 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 56 E 8.53 4.78 0.00 2.00 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 0.00 2.21 2.25 0.00 57 I 8.39 4.83 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.94 0.00 0.00 58 L 9.02 4.31 0.00 1.91 1.60 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.71 4.01 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 60 N 8.02 4.39 0.00 2.83 2.97 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.13 3.99 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 0.00 0.00 0.00 62 D 8.65 4.61 0.00 2.66 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 63 L 8.35 4.91 0.00 1.65 1.53 0.93 0.71 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 64 K 9.26 4.45 0.00 1.82 1.78 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.37 7.81 65 I 8.18 4.29 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.71 0.00 0.00 66 K 8.72 4.03 0.00 1.49 1.79 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.32 7.81 67 N 7.67 4.73 0.00 2.53 2.59 0.00 0.00 7.00 7.78 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 68 L 8.41 4.35 0.00 1.66 1.58 0.90 0.84 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 69 T 8.22 4.74 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 1.19 0.00 0.00 70 R 8.76 3.85 0.00 1.98 2.00 0.00 3.19 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 71 D 8.11 4.73 0.00 2.84 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 72 D 8.05 4.90 0.00 2.94 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 73 S 7.68 4.61 0.00 4.12 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 74 G 8.01 3.75 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 0.00 0.00 0.00 75 T 8.13 5.01 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 1.24 0.00 0.00 76 Y 9.14 4.60 0.00 2.91 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 77 N 8.85 5.30 0.00 2.61 2.76 0.00 0.00 6.91 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 78 V 8.73 4.54 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 0.99 0.00 0.00 0.96 0.00 0.00 79 T 8.40 5.00 4.33 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 0.84 0.00 0.00 80 V 8.27 4.50 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 1.00 0.00 0.00 0.92 0.00 0.00 81 Y 8.61 5.25 0.00 2.82 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 82 S 9.27 4.52 0.00 3.98 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 83 T 8.63 3.87 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 84 N 8.17 4.66 0.00 2.85 2.96 0.00 0.00 6.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.14 3.95 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 0.00 0.00 0.00 86 T 7.64 3.96 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 1.23 0.00 0.00 87 R 8.61 4.01 0.00 1.63 1.81 0.00 3.15 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.00 88 I 7.97 4.09 1.84 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 1.15 0.67 0.99 0.00 0.00 89 L 7.35 4.46 0.00 1.65 1.40 0.90 1.05 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 90 D 8.38 4.54 0.00 2.59 2.48 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 0.00 0.00 0.00 0.00 91 K 8.90 4.82 0.00 1.70 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.49 7.81 92 A 8.33 5.02 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 93 L 9.05 4.60 0.00 1.64 1.60 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.77 4.99 0.00 2.70 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 95 L 9.15 4.42 0.00 1.83 1.90 0.90 0.95 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 96 R 8.64 5.03 0.00 1.73 1.82 0.00 3.34 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 97 I 8.17 4.45 1.90 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 1.32 0.65 0.92 0.00 0.00 98 L 8.52 4.22 0.00 1.59 1.57 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.69 4.28 0.00 1.98 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 2.23 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.