NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.6019 8.3231 116.7917 58.0392 66.2060 172.4737 9 G 3.7527 6.8888 114.8381 42.8624 0.0000 171.3939 10 K 4.2891 9.0663 130.3902 54.8883 31.9794 176.2237 11 R 4.0847 7.9865 124.0571 55.5057 27.1410 175.4104 12 P 4.3684 0.0000 0.0000 64.8668 31.9720 176.2415 13 I 3.9661 7.9416 117.7112 59.0648 39.0434 174.2518 14 V 4.5920 7.4104 121.6226 59.6380 32.1443 172.3239 15 A 4.3011 7.8983 125.0756 52.0075 18.7292 176.0286 16 N 5.1075 8.3404 111.6713 51.3597 40.2564 174.7407 17 S 4.5691 7.8991 116.1114 57.4834 65.6174 173.1333 18 I 4.5397 8.1634 119.7820 59.9278 39.0463 175.3713 19 Q 4.7723 8.2499 126.0898 53.9785 31.5477 175.9693 20 R 4.2450 8.4787 120.6200 56.9276 30.7902 175.1068 21 R 3.8071 8.9973 121.5604 53.2288 29.3535 175.6567 22 G 4.1539 8.2083 108.7273 45.8120 0.0000 171.8700 23 K 4.2080 7.7906 121.1433 56.6517 33.9690 176.3917 24 A 5.0914 8.4127 125.7853 48.5654 20.2276 174.6588 25 K 4.2727 8.5172 122.6846 55.7734 33.6272 176.2977 26 R 4.6797 8.1955 125.5535 55.7214 32.0102 175.2522 27 E 4.0667 8.7723 120.4076 57.0471 27.7832 177.5682 28 G 3.9816 9.5148 120.0702 45.3552 0.0000 175.1706 29 G 4.0138 9.7730 109.0146 45.9130 0.0000 175.1343 30 V 4.3592 7.6762 118.0410 60.1937 33.7030 174.1181 31 G 4.1497 8.7847 114.8138 44.1930 0.0000 173.4858 32 K 4.5927 9.0728 125.9304 54.0853 36.4993 174.7948 33 K 4.8812 8.3814 119.2780 57.8107 33.7729 175.6583 34 T 4.9549 8.2009 109.3371 60.2254 71.6727 173.3731 35 T 4.6137 8.3626 113.3701 59.4565 72.0887 173.2737 36 G 3.6829 8.8651 113.1262 46.6776 0.0000 172.8729 37 I 4.3494 8.7260 126.6082 60.9580 39.2962 175.5664 38 S 4.8668 7.1800 116.0297 58.1904 65.2612 175.4322 39 K 4.9712 8.8024 125.2698 54.7049 34.4899 175.1552 40 R 4.6914 8.4714 123.3757 54.5820 34.5809 173.6090 41 R 4.8572 8.4096 119.6974 54.8426 30.8935 176.6811 42 Q 4.4111 9.2484 127.5392 55.9937 31.8928 173.9393 43 Y 4.7873 8.2817 120.7000 56.5865 40.4292 172.3926 44 P 4.6320 0.0000 0.0000 61.4624 32.5964 174.9270 45 N 4.5583 8.5365 122.6208 52.2774 39.3357 175.6621 46 L 4.0428 8.3858 122.3881 55.0568 42.4616 178.1544 47 Q 4.3342 8.2812 122.8844 55.0104 28.7122 177.1618 48 K 4.0139 8.7040 126.3149 55.5600 31.3892 176.0928 49 V 3.5509 8.9632 119.6042 61.9832 32.9890 169.3882 50 R 4.9714 8.3603 123.7485 54.5662 32.4015 175.3810 51 V 4.3683 8.7582 125.2037 61.2877 34.0043 174.4491 52 R 5.0363 8.6265 127.2838 55.7931 31.4148 176.3277 53 V 4.3949 8.9333 120.2737 61.1813 35.2673 172.5765 54 A 5.4005 8.0247 124.6128 49.6410 18.9710 176.3391 55 G 3.7788 8.5449 110.1831 48.0185 0.0000 171.7617 56 Q 4.3847 7.9613 116.8348 55.9218 30.7022 174.7767 57 E 5.1788 8.5193 114.1427 54.4815 31.3913 174.1232 58 I 4.5460 9.1560 122.4740 59.5845 40.5741 175.3573 59 T 5.2231 8.3244 121.7042 61.8217 71.3719 173.4500 60 F 4.6373 9.1481 123.7071 55.8446 42.8497 175.3487 61 R 4.8810 8.6555 123.2281 55.0601 28.8670 175.6837 62 V 4.5704 7.9223 122.2984 59.5566 34.6394 176.0118 63 A 4.7584 8.6191 123.1091 50.3477 19.5746 175.6067 64 A 4.1553 8.4956 125.9062 55.7614 18.3270 176.5287 65 S 5.2499 8.0333 125.1870 60.0579 61.5564 175.7001 66 H 4.8610 8.4002 115.8440 54.7785 31.2980 174.7375 67 I 3.7214 8.3151 122.8321 64.2481 36.8678 175.9402 68 P 4.3723 0.0000 0.0000 66.1026 30.8286 178.2157 69 K 3.9635 8.1166 118.9975 58.7999 31.9899 178.8921 70 V 3.1144 7.6770 118.9746 66.0530 31.2238 177.6432 71 Y 3.8534 7.7141 115.8933 60.8437 37.6493 177.2405 72 E 3.9200 8.1437 119.3057 59.6758 29.9331 178.5270 73 L 4.0442 7.8176 118.6154 57.5986 41.4745 179.5657 74 V 3.5845 7.5281 118.7893 65.0157 32.0206 177.5816 75 E 4.5947 8.2263 118.8424 54.8676 27.9580 178.0929 76 R 4.4335 7.7065 116.8009 54.7764 33.3797 176.7980 77 A 4.5035 8.4010 128.6464 50.8877 17.5466 175.8921 78 K 4.1011 8.1985 117.6178 56.5941 32.6386 179.2755 79 G 3.6108 7.6079 103.3115 46.7771 0.0000 175.1644 80 L 4.4223 7.8916 129.3583 52.7583 45.0964 177.2903 81 K 4.1978 8.4930 124.7832 55.7186 32.5978 176.1231 82 L 3.9878 8.0593 120.7482 56.6358 42.3957 176.3700 83 E 4.6170 8.8063 121.6571 55.5914 35.1911 176.2586 84 G 4.3895 8.5549 111.0508 45.8281 0.0000 174.0602 85 L 3.7687 7.9374 118.5348 53.6327 40.5161 176.7768 86 S 4.4870 9.0249 114.2173 58.0845 62.8091 172.8827 87 P 4.6026 0.0000 0.0000 65.3171 31.9561 176.2971 88 K 3.9265 7.9968 117.3012 59.2595 32.3477 178.4718 89 E 4.0865 8.1237 117.0005 59.6203 29.2908 178.5888 90 I 3.7429 10.0519 121.6328 63.8869 37.1483 177.8006 91 K 4.5299 9.5001 114.9498 57.1385 32.1253 177.6171 92 K 4.4285 8.6402 117.6142 58.0951 34.9739 177.4307 93 E 4.3511 8.1105 113.4188 56.7474 30.7786 177.3819 94 L 4.1825 8.0455 120.5726 55.4029 40.9163 179.4960 95 L 4.5132 8.9242 114.4838 55.2070 45.0652 174.3637 *96 K 4.1215 8.4862 121.3374 54.9887 32.3453 176.7477 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 8 S 8.32 4.60 0.00 3.88 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 9 G 6.89 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 10 K 9.07 4.29 0.00 2.26 2.23 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.15 7.81 11 R 7.99 4.08 0.00 2.12 2.15 0.00 3.43 0.00 0.00 3.24 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 12 P 0.00 4.37 0.00 2.08 2.13 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 13 I 7.94 3.97 1.45 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 1.27 0.66 0.80 0.00 0.00 14 V 7.41 4.59 2.06 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 0.66 0.00 0.00 0.92 0.00 0.00 15 A 7.90 4.30 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 N 8.34 5.11 0.00 2.72 2.64 0.00 0.00 5.85 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 17 S 7.90 4.57 0.00 3.98 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 18 I 8.16 4.54 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 1.05 0.00 0.00 19 Q 8.25 4.77 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 20 R 8.48 4.25 0.00 1.71 1.87 0.00 3.53 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 21 R 9.00 3.81 0.00 1.84 1.76 0.00 3.45 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 22 G 8.21 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 0.00 0.00 0.00 0.00 23 K 7.79 4.21 0.00 1.70 1.75 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.39 7.81 24 A 8.41 5.09 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 25 K 8.52 4.27 0.00 1.86 1.68 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.44 7.81 26 R 8.20 4.68 0.00 2.16 2.01 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 27 E 8.77 4.07 0.00 2.28 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 2.35 2.31 0.00 28 G 9.51 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 29 G 9.77 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.68 4.36 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 31 G 8.78 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 0.00 0.00 0.00 0.00 32 K 9.07 4.59 0.00 2.04 1.66 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 33 K 8.38 4.88 0.00 1.83 1.98 0.00 1.45 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.45 7.81 34 T 8.20 4.95 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 1.22 0.00 0.00 35 T 8.36 4.61 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 36 G 8.87 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 37 I 8.73 4.35 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 1.11 1.20 0.94 0.00 0.00 38 S 7.18 4.87 0.00 3.93 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 39 K 8.80 4.97 0.00 1.65 1.69 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 R 8.47 4.69 0.00 1.81 1.76 0.00 3.33 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 41 R 8.41 4.86 0.00 1.74 1.90 0.00 3.44 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 42 Q 9.25 4.41 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 43 Y 8.28 4.79 0.00 2.88 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 44 P 0.00 4.63 0.00 2.09 2.46 0.00 3.90 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 1.93 2.00 0.00 45 N 8.54 4.56 0.00 2.61 2.74 0.00 0.00 7.19 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 46 L 8.39 4.04 0.00 1.58 1.57 0.90 0.93 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 47 Q 8.28 4.33 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 48 K 8.70 4.01 0.00 1.87 1.51 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.51 7.81 49 V 8.96 3.55 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 0.88 0.00 0.00 0.98 0.00 0.00 50 R 8.36 4.97 0.00 1.86 1.79 0.00 3.25 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 51 V 8.76 4.37 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 0.89 0.00 0.00 0.96 0.00 0.00 52 R 8.63 5.04 0.00 1.77 1.86 0.00 3.32 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 53 V 8.93 4.39 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 0.73 0.00 0.00 0.71 0.00 0.00 54 A 8.02 5.40 1.35 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 0.00 0.00 0.00 55 G 8.54 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 56 Q 7.96 4.38 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 57 E 8.52 5.18 0.00 1.92 1.81 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 2.20 2.25 0.00 58 I 9.16 4.55 1.93 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 1.30 0.61 0.65 0.00 0.00 59 T 8.32 5.22 4.18 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 1.23 0.00 0.00 60 F 9.15 4.64 0.00 2.89 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 R 8.66 4.88 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.39 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 62 V 7.92 4.57 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 0.69 0.00 0.00 0.95 0.00 0.00 63 A 8.62 4.76 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 64 A 8.50 4.16 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 65 S 8.03 5.25 0.00 3.98 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 0.00 66 H 8.40 4.86 0.00 3.16 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.32 3.72 1.95 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 1.74 0.64 1.03 0.00 0.00 68 P 0.00 4.37 0.00 2.25 2.31 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 69 K 8.12 3.96 0.00 1.87 2.01 0.00 1.52 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 70 V 7.68 3.11 1.94 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 0.05 0.00 0.00 0.53 0.00 0.00 71 Y 7.71 3.85 0.00 3.24 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 72 E 8.14 3.92 0.00 1.97 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 0.00 2.33 2.38 0.00 73 L 7.82 4.04 0.00 1.85 1.65 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.53 3.58 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 0.83 0.00 0.00 0.91 0.00 0.00 75 E 8.23 4.59 0.00 2.10 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 2.38 2.39 0.00 76 R 7.71 4.43 0.00 1.81 1.82 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 77 A 8.40 4.50 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 78 K 8.20 4.10 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 79 G 7.61 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 0.00 0.00 0.00 80 L 7.89 4.42 0.00 1.60 1.56 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.49 4.20 0.00 1.74 1.80 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 82 L 8.06 3.99 0.00 1.57 1.61 0.92 0.78 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 83 E 8.81 4.62 0.00 1.88 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 2.16 2.29 0.00 84 G 8.55 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 85 L 7.94 3.77 0.00 1.62 1.44 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.02 4.49 0.00 4.09 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 87 P 0.00 4.60 0.00 2.09 2.13 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 88 K 8.00 3.93 0.00 1.73 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 89 E 8.12 4.09 0.00 2.17 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 0.00 2.37 2.35 0.00 90 I 10.05 3.74 2.12 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 1.57 1.54 1.15 0.00 0.00 91 K 9.50 4.53 0.00 1.84 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.66 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.63 1.75 7.81 92 K 8.64 4.43 0.00 1.99 1.79 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 93 E 8.11 4.35 0.00 2.05 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 0.00 2.32 2.25 0.00 94 L 8.05 4.18 0.00 1.90 1.25 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.92 4.51 0.00 1.71 1.57 0.92 0.80 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 *96 K 8.49 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.