NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6180 8.4201 118.1250 52.3351 39.0616 173.8315 0 A 3.8797 8.6884 123.5568 52.9824 18.6036 175.9991 2 I 3.3403 8.2192 115.3585 60.8946 35.8611 173.8971 3 V 3.7169 8.4359 119.6757 63.5339 31.8899 176.4277 4 G 4.3318 7.2548 104.9028 46.0101 0.0000 172.2200 5 I 5.2189 7.6983 112.7049 59.1236 41.5820 174.4280 6 G 4.3075 9.0189 109.5588 45.0206 0.0000 171.5160 7 I 5.3094 8.2314 121.8870 59.3913 41.7025 173.6358 8 D 4.8558 8.9230 125.0861 52.9580 45.1204 173.5988 9 I 4.9240 8.4576 124.5335 59.3131 40.9226 174.3235 10 I 4.6487 8.8709 129.5504 59.2439 41.1025 174.4794 11 E 3.9183 8.6995 127.6404 55.4065 30.0195 177.0818 12 L 3.9008 8.5187 127.9400 58.1096 41.8009 179.3945 13 N 4.2252 7.8759 115.5694 55.8124 38.1827 177.3121 14 R 3.7998 7.4150 119.8679 59.2917 30.2559 178.1745 15 I 3.6023 7.4048 118.1226 64.2208 37.2226 177.4670 16 E 4.0694 8.1070 119.4704 58.9537 29.6165 179.3691 17 K 4.0900 7.6500 117.0761 56.6804 31.9628 178.9034 *19 L 4.1992 7.9338 121.1047 54.6975 44.0760 177.7419 20 D 4.4952 7.7096 120.3457 52.6620 39.5458 176.4701 *24 K 4.0662 7.5040 118.7022 56.0777 33.8524 176.0090 25 F 4.2872 8.7588 125.0375 59.2465 38.7133 176.1810 *27 E 4.3108 8.1102 119.6274 55.7065 31.1589 177.2754 28 R 4.1219 7.5490 116.5834 57.7446 30.6001 177.4036 29 I 3.5506 7.2258 116.7340 61.4932 38.3581 175.7314 30 L 4.7639 7.3266 119.1051 52.9933 43.4008 177.0708 31 T 4.2642 9.1083 114.5084 60.9272 71.2300 175.3901 32 E 3.9052 8.5400 120.1558 59.4497 29.5962 178.1735 33 N 4.3251 8.1085 116.0485 56.4837 38.7255 177.0205 34 E 4.1423 7.8915 118.8124 59.6245 29.4966 179.7435 35 R 4.0975 8.3719 118.2996 59.2502 29.8812 178.7586 36 N 4.3035 8.2047 115.7361 56.2722 38.6529 177.3515 37 V 3.6303 7.8199 119.4437 65.9088 31.7021 177.9805 38 A 3.6447 8.4200 120.7799 54.8786 17.8885 179.4744 39 K 3.9538 8.0316 116.7894 59.4042 32.1758 178.0310 40 G 3.8796 7.4771 105.1512 45.4106 0.0000 173.0591 41 L 4.7623 7.4708 119.5247 52.7691 44.2364 175.7547 42 K 4.5764 8.1769 118.0228 56.5802 36.4663 178.1148 43 G 3.7208 8.4860 108.0511 46.9121 0.0000 177.0019 44 S 4.1382 8.6643 117.2138 61.3649 62.5676 176.1025 45 R 3.8806 7.8936 121.0839 59.2838 29.9053 178.1797 46 L 3.9968 7.8464 119.6515 58.4094 42.1560 178.8754 47 T 3.9145 7.8457 115.5352 66.6707 68.3547 176.5231 48 E 3.9528 8.6420 120.0039 59.2191 29.5237 178.9461 49 F 4.1120 8.4668 121.7259 61.1808 39.4898 177.3462 50 V 3.5444 8.2327 117.7450 65.8236 31.2699 177.7946 51 A 4.1149 8.3364 120.8257 55.1976 18.1574 179.8906 52 G 3.5707 8.4258 104.5452 47.9282 0.0000 176.2360 53 R 3.8251 7.7917 120.4271 58.8130 29.9935 178.7890 54 F 3.9973 8.4387 120.3110 61.4192 39.4200 177.0788 55 A 4.6186 8.8241 121.5955 54.6134 18.1017 179.4633 56 A 3.9977 8.4280 119.6238 55.3015 18.4999 180.0827 57 K 3.9579 8.2789 117.0526 59.5992 32.1703 179.2995 58 E 3.8944 8.7609 119.8128 59.2283 29.6587 178.6622 59 A 4.0398 8.5986 121.3316 55.2189 18.4129 178.9682 60 Y 4.0039 8.3540 118.4751 60.9317 38.8069 178.5030 61 S 3.9214 8.2665 115.0913 61.3329 62.9812 176.6313 62 K 3.9270 7.9721 121.8829 58.9692 31.6260 179.1590 63 A 4.1825 7.6000 122.4997 54.7033 18.0507 180.1297 64 V 3.5061 7.1744 110.0906 62.5665 31.5650 177.6826 65 G 3.9543 7.7659 105.4507 45.2757 0.0000 173.7033 66 T 4.1791 7.5462 109.1744 60.2459 70.5997 175.5334 67 G 3.9585 8.0288 108.8915 45.1107 0.0000 172.9264 68 I 3.7969 8.0714 119.8081 61.5071 36.5485 176.1081 69 G 3.9845 8.6346 115.7643 45.8160 0.0000 175.0169 70 K 4.1968 8.9262 119.4976 59.5064 32.5800 178.3976 71 E 4.0800 8.2245 117.4669 58.5029 29.9339 177.2157 72 V 4.4455 7.3347 116.2820 60.9695 34.2441 174.2020 73 S 4.7082 9.2717 120.6855 55.7655 66.0700 174.2993 74 F 4.1218 8.3028 119.9799 60.7228 38.4771 177.6962 75 L 4.2956 7.8438 117.0180 56.2506 41.7161 177.3163 76 D 4.5728 7.7971 117.3367 55.2335 41.1984 176.1456 77 I 4.7071 7.3788 119.6013 59.1795 40.1698 174.6152 78 E 4.7542 9.0411 126.8147 54.3342 32.6637 174.3990 79 V 4.7065 9.4869 127.8979 61.3456 32.5588 174.7729 80 R 4.8520 8.9469 125.0882 54.4415 32.6217 174.5236 81 N 5.1467 8.6825 118.0412 52.3147 40.3826 175.2202 82 D 4.7469 8.9158 123.1601 52.1279 41.4527 176.6071 83 D 4.3599 8.5984 117.5526 56.0102 39.2689 177.1143 84 R 4.2346 8.5422 117.8330 56.1754 30.5333 177.1933 85 G 3.9829 8.2799 107.0280 44.4064 0.0000 173.7027 86 K 4.2295 8.0504 122.5987 55.4926 33.3488 174.0234 87 P 4.8523 0.0000 0.0000 62.8463 32.1999 175.2423 88 I 4.3982 9.6289 125.7653 58.9140 40.4944 173.6762 89 L 4.7280 8.5552 131.9818 54.1258 43.0247 175.4001 90 I 4.3948 9.0223 128.8247 60.0042 39.0648 174.8678 91 T 4.8558 8.0635 120.5129 60.7431 70.8230 172.9124 92 S 4.4086 8.4562 119.5803 58.0127 63.3524 173.4253 93 T 4.3918 7.9484 117.6742 61.1978 69.6279 172.6455 94 E 4.2796 8.6005 123.3571 56.9921 30.3380 175.6508 95 H 4.9590 7.6407 117.0261 54.7711 31.1994 174.3990 96 I 4.1981 8.6976 121.3429 60.6118 38.5437 175.2447 97 V 4.6035 8.3265 126.8243 61.5997 33.0536 174.2062 98 H 5.0482 9.2188 125.7563 54.0634 31.0231 173.5348 99 L 5.6096 8.3777 123.2833 52.7246 45.7265 175.0845 100 S 4.7835 8.4094 116.6194 57.1458 65.9892 172.6292 101 I 5.2848 8.1960 124.9277 60.0088 41.2303 174.5068 102 S 4.6929 8.8798 117.9385 57.4731 66.3492 172.8616 103 H 5.4584 8.3836 121.1469 54.5674 30.8790 173.3175 104 S 4.6914 8.8115 120.6121 57.0201 65.3820 173.4714 105 K 4.1196 8.7482 119.7648 59.2416 32.2166 177.9445 106 E 4.5908 8.2446 115.3551 55.6874 32.1802 175.7168 107 F 5.3682 8.3776 117.8488 55.4604 43.6000 173.6641 108 A 5.3372 9.0146 122.5611 50.3542 22.3887 175.4107 109 V 5.0449 9.2428 119.5291 61.3747 35.7213 174.0598 110 A 5.3852 8.9379 126.9565 50.5186 23.2458 174.9824 111 Q 5.1071 9.0455 117.2157 54.6620 32.6373 174.1171 112 V 5.0161 9.1150 120.4838 61.3056 35.7352 174.1871 113 V 4.6259 8.8530 125.9817 61.1845 34.6504 173.8793 114 L 5.1086 8.8909 128.4628 53.3117 43.5988 175.1556 115 E 4.9903 9.1553 125.0336 54.1330 32.6868 175.2052 116 S 4.6787 8.7203 122.3376 57.8874 63.7163 175.0238 117 S 4.7175 9.6756 119.6685 56.2779 63.0003 174.3168 118 S 4.6479 8.0480 120.4574 59.5398 63.1014 176.0949 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 N 8.42 4.62 0.00 2.71 2.87 0.00 0.00 6.85 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.69 3.88 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 2 I 8.22 3.34 1.86 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 1.41 0.52 0.96 0.00 0.00 3 V 8.44 3.72 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 0.35 0.00 0.00 0.82 0.00 0.00 4 G 7.25 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 0.00 0.00 0.00 0.00 5 I 7.70 5.22 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 1.26 0.92 0.90 0.00 0.00 6 G 9.02 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 0.00 0.00 0.00 0.00 7 I 8.23 5.31 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 1.25 1.14 0.93 0.00 0.00 8 D 8.92 4.86 0.00 2.90 2.52 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 9 I 8.46 4.92 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.95 0.00 0.00 10 I 8.87 4.65 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.85 0.72 0.00 0.00 11 E 8.70 3.92 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 1.81 0.00 12 L 8.52 3.90 0.00 1.55 1.62 0.95 0.38 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 13 N 7.88 4.23 0.00 2.67 2.77 0.00 0.00 6.79 7.66 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 14 R 7.42 3.80 0.00 1.72 1.98 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 15 I 7.40 3.60 1.92 0.00 0.00 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 1.33 0.82 0.95 0.00 0.00 16 E 8.11 4.07 0.00 1.88 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 2.31 0.00 17 K 7.65 4.09 0.00 1.90 1.69 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 *19 L 7.93 4.20 0.00 1.81 1.79 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.71 4.50 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.07 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.54 7.81 25 F 8.76 4.29 0.00 3.10 3.04 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 *27 E 8.11 4.31 0.00 2.14 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 2.21 2.34 0.00 28 R 7.55 4.12 0.00 1.80 1.78 0.00 3.17 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 29 I 7.23 3.55 1.36 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.33 0.43 0.00 0.00 30 L 7.33 4.76 0.00 1.60 1.59 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 T 9.11 4.26 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 1.29 0.00 0.00 32 E 8.54 3.91 0.00 2.06 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 2.38 2.40 0.00 33 N 8.11 4.33 0.00 2.99 2.87 0.00 0.00 7.12 7.66 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 34 E 7.89 4.14 0.00 2.33 2.13 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 2.40 2.39 0.00 35 R 8.37 4.10 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 36 N 8.20 4.30 0.00 2.87 2.88 0.00 0.00 7.00 7.64 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 37 V 7.82 3.63 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 0.71 0.00 0.00 0.98 0.00 0.00 38 A 8.42 3.64 1.45 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 0.00 0.00 39 K 8.03 3.95 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.61 7.81 40 G 7.48 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 41 L 7.47 4.76 0.00 1.61 1.48 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.18 4.58 0.00 1.80 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.42 7.81 43 G 8.49 3.72 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 0.00 0.00 0.00 44 S 8.66 4.14 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 45 R 7.89 3.88 0.00 1.91 2.08 0.00 3.31 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 46 L 7.85 4.00 0.00 1.80 1.84 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.85 3.91 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 1.18 0.00 0.00 48 E 8.64 3.95 0.00 1.92 2.13 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 2.48 2.18 0.00 49 F 8.47 4.11 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.54 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 1.13 0.00 0.00 1.18 0.00 0.00 51 A 8.34 4.11 1.40 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 52 G 8.43 3.57 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 0.00 53 R 7.79 3.83 0.00 1.92 1.87 0.00 2.88 0.00 0.00 2.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.59 0.00 54 F 8.44 4.00 0.00 3.34 3.18 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 0.00 55 A 8.82 4.62 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 0.00 0.00 0.00 0.00 0.00 56 A 8.43 4.00 1.41 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 0.00 0.00 57 K 8.28 3.96 0.00 2.13 1.87 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.61 7.81 58 E 8.76 3.89 0.00 2.27 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 0.00 2.40 2.40 0.00 59 A 8.60 4.04 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 60 Y 8.35 4.00 0.00 3.08 3.20 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 61 S 8.27 3.92 0.00 4.06 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 62 K 7.97 3.93 0.00 1.99 1.86 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.61 7.81 63 A 7.60 4.18 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.17 3.51 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 0.20 0.00 0.00 0.70 0.00 0.00 65 G 7.77 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 66 T 7.55 4.18 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 67 G 8.03 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 0.00 0.00 0.00 68 I 8.07 3.80 1.65 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.02 0.48 0.00 0.00 69 G 8.63 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 70 K 8.93 4.20 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 E 8.22 4.08 0.00 1.90 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 2.29 2.33 0.00 72 V 7.33 4.45 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 0.90 0.00 0.00 0.95 0.00 0.00 73 S 9.27 4.71 0.00 3.70 3.61 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 74 F 8.30 4.12 0.00 3.14 3.09 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 75 L 7.84 4.30 0.00 1.64 1.72 0.92 1.06 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 76 D 7.80 4.57 0.00 2.76 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 77 I 7.38 4.71 1.81 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 0.83 0.52 0.74 0.00 0.00 78 E 9.04 4.75 0.00 1.97 1.71 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 0.00 2.18 2.21 0.00 79 V 9.49 4.71 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 0.88 0.00 0.00 80 R 8.95 4.85 0.00 1.90 2.01 0.00 2.81 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 81 N 8.68 5.15 0.00 2.66 2.82 0.00 0.00 6.98 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 82 D 8.92 4.75 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 83 D 8.60 4.36 0.00 2.81 2.86 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 84 R 8.54 4.23 0.00 1.92 2.02 0.00 3.30 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 85 G 8.28 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 86 K 8.05 4.23 0.00 1.87 2.07 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.46 7.81 87 P 0.00 4.85 0.00 2.12 2.07 0.00 3.78 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 1.98 0.00 88 I 9.63 4.40 1.87 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 1.10 1.58 0.96 0.00 0.00 89 L 8.56 4.73 0.00 1.63 1.47 0.79 0.48 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 90 I 9.02 4.39 1.82 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 1.09 0.36 0.87 0.00 0.00 91 T 8.06 4.86 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 0.86 0.00 0.00 92 S 8.46 4.41 0.00 4.00 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 93 T 7.95 4.39 4.35 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 0.00 0.00 0.00 1.30 0.00 0.00 94 E 8.60 4.28 0.00 2.06 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 1.91 2.09 0.00 95 H 7.64 4.96 0.00 3.16 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.70 4.20 1.88 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 1.12 0.64 0.78 0.00 0.00 97 V 8.33 4.60 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 0.85 0.00 0.00 1.00 0.00 0.00 98 H 9.22 5.05 0.00 3.20 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.38 5.61 0.00 1.60 1.49 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.41 4.78 0.00 3.91 3.63 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 0.00 101 I 8.20 5.28 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 1.25 0.80 0.96 0.00 0.00 102 S 8.88 4.69 0.00 3.85 3.64 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 0.00 103 H 8.38 5.46 0.00 3.11 3.28 0.00 5.77 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 0.00 104 S 8.81 4.69 0.00 4.06 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 0.00 105 K 8.75 4.12 0.00 1.76 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.46 7.81 106 E 8.24 4.59 0.00 1.90 1.55 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 2.28 2.22 0.00 107 F 8.38 5.37 0.00 2.96 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 0.00 108 A 9.01 5.34 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 0.00 109 V 9.24 5.04 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 1.04 0.00 0.00 0.98 0.00 0.00 110 A 8.94 5.39 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 0.00 111 Q 9.05 5.11 0.00 2.11 2.16 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 2.25 2.31 0.00 112 V 9.11 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 1.14 0.00 0.00 1.07 0.00 0.00 113 V 8.85 4.63 2.13 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 1.04 0.00 0.00 0.94 0.00 0.00 114 L 8.89 5.11 0.00 1.70 1.55 0.76 0.98 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 0.00 115 E 9.16 4.99 0.00 2.05 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 2.22 2.27 0.00 116 S 8.72 4.68 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 0.00 117 S 9.68 4.72 0.00 3.98 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 0.00 118 S 8.05 4.65 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.