NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3119 8.2531 123.5808 52.1266 22.1301 178.5884 3 G 3.5486 8.2060 104.1155 44.7673 0.0000 176.0924 4 D 4.3038 9.4975 127.8268 54.1721 40.8963 173.3454 5 T 3.4378 7.4224 108.1287 65.3864 64.5658 171.9584 6 T 4.9747 7.7059 117.9865 59.7020 71.8165 174.1530 7 I 4.7846 8.4197 114.8243 59.9409 41.7254 173.7304 8 T 5.1240 8.4134 118.5857 61.8591 71.4725 173.3835 9 I 4.6777 9.1392 126.2601 59.0723 41.8514 173.8812 10 V 5.2481 7.4526 127.1687 60.5075 34.0125 175.0728 11 G 4.0347 7.6965 111.9019 46.5669 0.0000 171.1217 12 N 6.3000 8.2417 116.6997 50.4104 42.2334 174.5553 13 L 4.6965 8.3546 122.2190 55.0556 42.2799 178.3544 14 T 4.1813 8.9046 114.2731 64.5609 69.4815 173.7227 15 A 4.5121 7.5929 122.4574 51.0003 22.0539 175.0156 16 D 4.5314 8.4061 118.9982 53.7808 41.3599 175.1134 17 P 4.6250 0.0000 0.0000 62.9389 32.3227 175.6655 18 E 4.3888 9.3768 124.8676 55.1384 30.9467 174.9996 19 L 4.9404 8.5145 127.8241 53.6175 43.2805 175.4906 20 R 4.8441 8.3046 124.7910 54.3609 34.1191 174.6991 21 F 5.2031 8.7190 119.6015 55.8729 41.1492 176.0786 22 T 4.3562 9.0386 114.0200 60.3302 69.6448 174.0372 23 P 4.2740 0.0000 0.0000 65.8063 31.2523 177.5197 24 S 4.2800 7.7191 111.8792 59.0007 63.2233 174.7768 25 G 4.1206 8.4025 109.6795 45.2555 0.0000 173.9898 26 A 4.4686 8.1165 121.7182 51.8581 19.8702 176.4150 27 A 4.2525 8.6227 123.1041 50.5148 21.5911 176.1638 28 V 3.8969 7.9325 119.8798 60.5685 34.7894 174.0811 29 A 5.0229 8.7259 129.9273 50.3333 21.2192 174.6875 30 N 5.3470 8.4876 120.4133 51.7694 41.8127 174.1030 31 F 5.1057 7.7483 114.2586 56.3399 41.8164 172.6366 32 T 5.0203 8.4968 110.9809 60.1310 71.5627 172.9447 33 V 4.7735 8.8061 124.9770 61.4083 33.7059 174.1418 34 A 4.0972 9.1718 130.8750 50.7037 20.3525 175.8555 35 S 4.6790 8.6055 119.3852 57.4383 63.1321 172.2115 36 T 4.4887 7.9882 122.8746 60.9165 69.5432 173.0346 37 P 4.4222 0.0000 0.0000 62.2756 32.5621 179.0303 38 R 4.4184 8.3516 119.9360 56.2099 29.3670 176.1287 39 I 4.2572 7.2655 122.0377 64.8665 40.1769 170.9231 *40 Y 4.4811 8.4229 116.4759 59.1364 38.9100 168.5014 41 D 4.3416 8.2324 118.2898 57.4239 43.0104 176.7234 *46 E 4.1934 7.3996 116.5421 55.5958 31.0816 177.2553 *47 W 3.5010 10.0441 134.6158 57.7114 26.9979 173.3334 48 K 4.6020 8.1886 125.3778 51.3552 33.7055 172.0216 49 D 4.8899 8.8218 125.4446 53.3984 41.2391 176.1924 50 G 4.1582 8.0961 114.1148 44.6897 0.0000 173.6452 51 E 3.6222 10.0645 116.8155 54.0999 28.1533 176.0676 52 A 4.1754 9.8440 115.4754 54.0657 19.2502 178.5948 53 L 4.6573 7.8680 122.4992 53.6803 45.4983 174.7377 54 F 5.0885 9.2267 125.8245 56.1175 40.3748 175.2272 55 L 4.7553 8.7215 125.0528 52.5633 44.3084 176.4035 56 R 4.2352 8.6900 123.6997 56.5731 31.1580 175.6391 57 C 5.3972 9.0381 121.8318 57.1565 32.2094 172.6842 58 N 5.1001 7.9577 116.1926 51.8315 40.3965 173.0967 59 I 4.9479 8.5942 120.7917 59.6480 42.5440 173.9681 60 W 5.1831 8.6296 126.8846 54.9124 32.8389 175.9918 61 R 3.7105 9.0726 118.8332 58.0584 28.2921 178.5350 62 E 4.0591 8.9967 118.8880 60.6660 29.6344 178.3378 63 A 3.9866 8.2672 120.0966 55.5170 18.2325 179.3806 64 A 3.9649 7.9811 118.4324 55.4017 18.2449 179.8086 65 E 3.9034 7.5044 114.4755 59.5135 29.8352 178.8519 66 N 4.4086 8.5144 116.9104 56.4117 38.6913 177.1418 67 V 3.4671 7.8336 119.0845 66.4233 31.3340 177.9798 68 A 4.0467 7.7618 118.4777 54.2422 18.1336 178.2203 69 E 4.5804 7.8905 115.2580 56.1702 30.2132 176.4643 70 S 4.6172 7.8989 112.8858 57.4869 65.5566 173.9979 71 L 4.8015 7.8550 118.6683 52.8974 44.5892 175.2380 72 T 4.7436 7.7793 109.5567 59.4178 72.1232 172.8243 73 R 4.0704 9.0568 122.5663 57.8755 30.1719 176.0594 74 G 4.0009 8.8615 113.7276 45.1215 0.0000 173.8099 75 A 3.9977 7.7899 122.0615 52.6048 19.5363 176.6364 76 R 4.7324 8.6365 123.0498 55.7519 31.5076 175.5687 77 V 4.8913 9.2999 119.3174 59.6574 36.7031 174.6810 78 I 4.5836 8.7540 124.0148 59.9285 39.0386 174.8552 79 V 4.8514 9.1032 127.9871 61.0406 34.2169 174.3070 80 S 5.0953 9.2115 121.5812 56.2774 66.0038 173.8685 81 G 4.4030 7.4903 111.7989 46.1284 0.0000 171.1952 82 R 5.0283 7.4307 114.7645 54.2047 32.3307 175.3545 83 L 4.7749 8.4268 121.8925 54.5371 42.7569 176.5269 84 K 4.6507 9.6852 123.4863 54.6055 35.4447 175.1070 85 Q 5.1972 8.7929 125.0788 54.5177 32.2842 174.3251 86 R 4.8895 8.7724 121.1412 54.8768 35.1042 174.2766 87 S 4.8198 8.5880 115.3328 57.2614 67.0776 173.6949 88 F 5.5164 8.0002 122.2467 57.6915 41.6064 174.6746 89 E 4.7648 8.9503 116.9017 58.3662 32.7701 172.7934 90 T 3.4980 8.2382 115.0886 61.6394 69.6665 173.8998 91 R 3.9095 8.6333 121.9019 58.2432 30.1147 175.9999 92 E 4.7478 8.9751 116.6301 52.8408 30.8721 174.5314 93 G 3.8880 8.2662 112.5662 44.0193 0.0000 170.7419 94 E 5.2450 9.3980 131.1902 56.5392 31.5345 178.2538 95 K 4.4461 7.3232 120.3146 54.3462 29.6800 174.2608 96 R 4.6748 8.0659 124.6616 54.6803 33.9218 173.4986 97 T 4.7430 8.2094 118.4423 60.2679 70.4776 172.8369 98 V 4.5481 8.2422 127.1453 61.2567 35.3845 173.8283 99 I 5.2641 8.1042 123.6418 59.7465 41.2821 173.3036 100 E 4.9006 9.5593 124.6077 55.1514 33.8344 173.6219 101 V 4.7431 8.6149 119.9333 61.2702 34.5412 174.3321 102 E 4.6396 9.1882 128.6720 54.6211 29.8867 175.2756 103 V 4.0501 8.1370 124.6871 63.7469 31.7311 175.3236 104 D 4.7901 9.6049 127.7580 56.3737 42.7256 176.4236 105 E 5.0620 7.8494 115.3795 55.2634 34.1234 174.3124 106 I 5.1482 8.2853 122.2232 59.8527 41.5086 174.0793 107 G 4.3930 8.6273 113.5697 44.1261 0.0000 170.4447 108 P 4.8971 0.0000 0.0000 62.4174 32.3390 175.8118 109 S 4.3186 9.2829 118.7953 57.6662 63.1840 173.6097 110 L 4.7961 8.1532 125.0489 54.1787 41.9621 178.0502 111 R 3.8325 7.7063 121.2532 58.9678 29.9473 177.2646 112 Y 4.8100 7.1775 113.0870 57.1511 38.7255 174.4573 113 A 4.3736 7.3956 121.1014 52.2562 21.7977 175.4895 114 T 4.5735 7.8423 108.6782 59.9138 71.8984 173.0938 115 A 4.1854 7.9331 119.6178 51.4446 21.4105 175.9597 116 K 4.3387 8.6610 122.6017 55.0087 33.1578 176.8011 117 V 3.6965 8.2656 126.4354 63.2918 32.0944 176.3021 118 N 4.8265 8.2503 121.5441 50.1206 39.2701 174.7119 119 K 4.2201 8.4996 123.3886 55.6684 33.0314 177.5706 120 A 4.3409 8.3382 122.1279 52.4371 19.1925 176.7121 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 A 8.25 4.31 1.30 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 0.00 0.00 3 G 8.21 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.50 4.30 0.00 2.85 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 5 T 7.42 3.44 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 6 T 7.71 4.97 4.36 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 1.27 0.00 0.00 7 I 8.42 4.78 1.88 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 1.24 0.66 0.91 0.00 0.00 8 T 8.41 5.12 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 1.26 0.00 0.00 9 I 9.14 4.68 1.88 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 1.11 1.47 0.94 0.00 0.00 10 V 7.45 5.25 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 0.93 0.00 0.00 11 G 7.70 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 12 N 8.24 6.30 0.00 2.64 2.70 0.00 0.00 6.98 6.54 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 13 L 8.35 4.70 0.00 1.59 1.79 0.74 0.50 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 14 T 8.90 4.18 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 1.54 0.00 0.00 15 A 7.59 4.51 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 16 D 8.41 4.53 0.00 2.69 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 17 P 0.00 4.62 0.00 1.91 2.00 0.00 3.67 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 1.89 1.95 0.00 18 E 9.38 4.39 0.00 1.83 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 2.28 2.38 0.00 19 L 8.51 4.94 0.00 1.55 1.56 0.53 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.30 4.84 0.00 1.74 1.73 0.00 3.16 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 21 F 8.72 5.20 0.00 2.91 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 22 T 9.04 4.36 4.41 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 1.58 0.00 0.00 23 P 0.00 4.27 0.00 2.24 2.28 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 24 S 7.72 4.28 0.00 4.04 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 25 G 8.40 4.12 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 0.00 26 A 8.12 4.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.25 0.57 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 0.00 0.00 28 V 7.93 3.90 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 -0.52 0.00 0.00 0.08 0.00 0.00 29 A 8.73 5.02 1.33 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 0.00 0.00 0.00 30 N 8.49 5.35 0.00 2.63 2.58 0.00 0.00 6.14 7.57 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 31 F 7.75 5.11 0.00 3.03 3.07 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 32 T 8.50 5.02 4.37 0.00 0.00 0.00 0.00 0.00 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 33 V 8.81 4.77 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 1.03 0.00 0.00 1.18 0.00 0.00 34 A 9.17 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.61 4.68 0.00 3.86 3.79 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 36 T 7.99 4.49 4.19 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 0.00 0.00 1.19 0.00 0.00 37 P 0.00 4.42 0.00 2.17 2.05 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 R 8.35 4.42 0.00 1.80 1.71 0.00 3.26 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 39 I 7.27 4.26 1.87 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 1.27 0.91 0.91 0.00 0.00 *40 Y 8.42 4.48 0.00 2.27 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 0.00 0.00 0.00 0.00 41 D 8.23 4.34 0.00 2.72 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 *46 E 7.40 4.19 0.00 2.05 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 2.13 1.88 0.00 *47 W 10.04 3.50 0.00 2.65 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 0.00 0.00 0.00 0.00 48 K 8.19 4.60 0.00 1.62 1.68 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 0.98 7.81 49 D 8.82 4.89 0.00 2.64 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 50 G 8.10 4.16 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 0.00 0.00 0.00 51 E 10.06 3.62 0.00 2.16 1.69 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 2.13 1.86 0.00 52 A 9.84 4.18 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.87 4.66 0.00 1.71 1.42 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.23 5.09 0.00 2.90 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 55 L 8.72 4.76 0.00 1.57 1.56 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.69 4.24 0.00 1.74 1.81 0.00 3.07 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 57 C 9.04 5.40 0.00 1.57 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 0.00 0.00 0.00 0.00 58 N 7.96 5.10 0.00 2.48 2.67 0.00 0.00 5.32 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 59 I 8.59 4.95 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 1.05 0.00 0.00 60 W 8.63 5.18 0.00 3.24 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 61 R 9.07 3.71 0.00 2.11 1.83 0.00 3.17 0.00 0.00 3.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 62 E 9.00 4.06 0.00 2.10 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 2.44 2.48 0.00 63 A 8.27 3.99 1.42 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 0.00 0.00 64 A 7.98 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.50 3.90 0.00 2.16 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 2.35 2.56 0.00 66 N 8.51 4.41 0.00 2.86 2.87 0.00 0.00 6.64 7.30 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 67 V 7.83 3.47 2.31 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 0.80 0.00 0.00 0.90 0.00 0.00 68 A 7.76 4.05 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 69 E 7.89 4.58 0.00 1.97 1.91 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 2.23 2.31 0.00 70 S 7.90 4.62 0.00 3.80 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 71 L 7.85 4.80 0.00 1.44 1.40 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.78 4.74 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 1.19 0.00 0.00 73 R 9.06 4.07 0.00 1.91 1.89 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 74 G 8.86 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 0.00 0.00 0.00 75 A 7.79 4.00 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 76 R 8.64 4.73 0.00 1.97 1.87 0.00 3.38 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 77 V 9.30 4.89 2.12 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 0.57 0.00 0.00 0.97 0.00 0.00 78 I 8.75 4.58 1.87 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 1.10 1.01 0.91 0.00 0.00 79 V 9.10 4.85 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 1.01 0.00 0.00 1.05 0.00 0.00 80 S 9.21 5.10 0.00 3.91 3.65 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 81 G 7.49 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 5.03 0.00 1.91 2.03 0.00 2.77 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 83 L 8.43 4.77 0.00 1.71 1.64 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.69 4.65 0.00 1.65 1.67 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 85 Q 8.79 5.20 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 86 R 8.77 4.89 0.00 1.77 1.88 0.00 3.27 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 87 S 8.59 4.82 0.00 3.69 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 88 F 8.00 5.52 0.00 2.83 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 89 E 8.95 4.76 0.00 2.05 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 2.10 2.17 0.00 90 T 8.24 3.50 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 91 R 8.63 3.91 0.00 1.85 1.92 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 92 E 8.98 4.75 0.00 1.85 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 2.23 2.23 0.00 93 G 8.27 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 94 E 9.40 5.24 0.00 2.05 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 2.07 2.13 0.00 95 K 7.32 4.45 0.00 1.85 2.00 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 96 R 8.07 4.67 0.00 1.88 1.67 0.00 3.30 0.00 0.00 3.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.00 97 T 8.21 4.74 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 1.13 0.00 0.00 98 V 8.24 4.55 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 0.89 0.00 0.00 0.73 0.00 0.00 99 I 8.10 5.26 1.84 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 1.40 0.99 0.91 0.00 0.00 100 E 9.56 4.90 0.00 2.06 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 2.33 2.26 0.00 101 V 8.61 4.74 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 1.03 0.00 0.00 0.93 0.00 0.00 102 E 9.19 4.64 0.00 1.96 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 2.32 2.27 0.00 103 V 8.14 4.05 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 0.90 0.00 0.00 1.02 0.00 0.00 104 D 9.60 4.79 0.00 2.62 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 0.00 105 E 7.85 5.06 0.00 1.90 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 0.00 2.33 2.33 0.00 106 I 8.29 5.15 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.93 0.00 0.00 107 G 8.63 4.39 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 0.00 108 P 0.00 4.90 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 9.28 4.32 0.00 3.82 3.79 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 0.00 110 L 8.15 4.80 0.00 1.62 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.71 3.83 0.00 1.53 1.57 0.00 2.99 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 112 Y 7.18 4.81 0.00 2.96 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 0.00 113 A 7.40 4.37 1.24 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 0.00 0.00 0.00 114 T 7.84 4.57 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 0.00 115 A 7.93 4.19 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 0.00 116 K 8.66 4.34 0.00 1.86 1.85 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 117 V 8.27 3.70 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 0.77 0.00 0.00 0.92 0.00 0.00 118 N 8.25 4.83 0.00 2.71 2.55 0.00 0.00 6.76 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 0.00 119 K 8.50 4.22 0.00 1.74 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.34 4.34 1.22 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.