NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.3079 8.1133 120.8598 56.5944 32.3747 177.5502 20 M 3.9153 8.0421 117.5040 57.9260 31.8199 177.0976 21 K 4.0977 8.8575 119.4206 59.4756 32.5511 178.9542 22 Q 3.9523 7.9733 117.7207 59.0281 28.7168 178.3324 23 I 3.6894 7.3767 120.7487 64.8414 37.2267 178.3198 24 E 3.9594 8.3791 119.0720 59.5638 29.2252 179.2571 25 D 4.4123 8.3857 119.2270 57.0460 40.7885 178.9691 26 K 4.0105 8.4790 119.6578 59.4259 32.0619 179.4228 27 I 3.7041 8.0238 120.3648 64.2864 36.8805 178.0472 28 E 3.9977 8.3310 122.6363 59.9455 29.4564 179.3914 29 E 4.0085 8.1773 118.3190 61.0551 29.6817 180.9282 30 I 3.8748 8.0982 121.2948 64.3227 37.1933 178.2528 31 L 3.9875 7.9078 119.7107 58.2241 41.5095 179.7583 32 S 4.1313 7.9348 112.5514 61.2892 62.2659 176.3752 33 K 4.1036 8.1724 121.3648 59.4370 31.7267 179.4127 34 I 3.7582 8.1463 120.4744 64.4368 36.9669 177.8373 35 Y 3.9091 8.3134 120.4863 60.8713 38.6108 177.4449 36 H 4.2172 8.5552 119.1560 59.5282 29.8858 177.1862 37 I 3.8886 8.0209 123.1837 63.9812 36.8784 178.3394 38 E 3.8943 8.5244 119.7565 59.1282 29.1949 179.0497 39 N 4.1670 8.0430 116.7412 56.4585 38.1573 177.1786 40 E 3.9302 8.1425 119.8158 59.3479 29.4827 179.5907 41 I 3.6438 8.0707 119.9013 64.2453 37.3292 177.9521 42 A 3.9443 8.1780 122.0637 55.6456 18.2631 179.9745 43 R 3.8876 7.9926 116.1074 59.3446 29.8651 179.4057 44 I 3.6963 7.6666 118.8872 64.3654 37.1975 178.1198 45 K 4.0172 8.2044 118.5012 59.3310 31.9069 179.0334 46 K 4.0747 7.6599 118.3174 58.4453 32.5687 177.4409 47 L 3.9395 7.1050 118.4196 54.0372 41.9893 174.9871 *57 P 4.1625 0.0000 0.0000 62.1294 32.5811 176.4668 58 C 4.7059 8.4142 119.6309 57.3102 45.7791 172.2090 59 M 5.6242 8.7345 123.4769 54.5244 37.0312 173.5379 60 A 5.2047 8.8080 120.5727 50.9890 23.4446 175.3536 61 K 4.8544 9.6466 121.2335 54.6842 36.5778 174.5934 62 F 3.7761 8.4455 129.5194 57.1713 41.1439 176.2973 63 G 3.9319 7.0322 114.1776 43.2748 0.0000 170.8051 64 P 4.9602 0.0000 0.0000 61.6029 31.9790 175.9529 65 L 4.3306 8.0766 121.0242 54.5602 41.9452 176.0197 66 P 4.3839 0.0000 0.0000 63.9935 32.1365 176.9847 67 S 4.1385 7.6500 116.4938 58.9796 64.5575 172.9142 68 K 3.1913 7.4990 119.9358 56.0505 34.3342 178.7038 69 W 4.8488 8.8398 129.2846 57.1180 29.8997 174.2390 70 Q 4.7400 9.5009 123.3423 54.3831 31.7124 174.4679 71 M 5.3049 8.8227 121.5898 52.8267 35.6596 174.9156 72 A 4.8201 8.4358 120.9901 50.8297 19.1738 174.4503 *76 P 4.1752 0.0000 0.0000 62.3283 32.8314 174.9093 77 P 4.4545 0.0000 0.0000 63.0170 32.1596 175.0877 78 C 4.7168 8.6967 114.1526 56.9240 43.2106 173.1970 79 V 4.9993 7.5564 111.0163 59.7476 35.9676 174.0221 80 N 4.9319 8.9735 121.0072 51.3288 41.9183 174.1335 81 K 3.6064 8.5022 125.3896 56.8770 33.4852 175.9860 82 V 4.0708 8.1678 120.6673 63.9062 32.9447 175.5977 83 S 4.6201 7.5066 111.0805 57.0665 65.4358 172.8467 84 D 3.8819 8.4780 120.4789 55.7626 40.7129 177.2875 85 W 3.3436 6.2889 122.5874 56.0480 27.0358 173.2711 86 K 5.4974 8.4562 120.0513 54.6969 35.1114 174.6454 87 L 4.8834 9.0901 127.5570 53.2366 46.3151 174.2781 88 E 5.0822 9.0296 124.2208 54.3809 32.9605 174.6100 89 I 4.4212 8.9291 127.4910 60.6952 38.3501 176.1933 90 L 4.7130 9.1576 125.3576 54.4866 43.4897 176.4672 91 Q 4.6799 7.9708 117.4826 53.5816 31.8853 175.0569 92 N 4.6813 9.2832 121.4834 53.1310 39.6015 174.8313 93 G 3.8283 8.3162 108.9103 46.5691 0.0000 170.2703 94 L 5.2008 7.9869 122.6144 53.8107 43.4507 175.0970 95 Y 5.2302 9.3892 124.2989 56.1174 41.9187 174.2686 96 L 5.2066 9.1143 124.9982 53.7066 44.4711 174.9897 97 I 5.3818 9.1612 127.7490 60.0860 39.7218 174.3302 98 Y 5.5741 9.1813 123.5147 54.1229 42.4336 175.0788 99 G 3.9517 8.0863 105.2316 46.4640 0.0000 170.8964 100 Q 4.9362 7.3177 115.7538 54.7675 32.5878 173.7588 101 V 4.7185 8.9093 121.3084 61.1738 34.4180 174.0212 102 A 4.9167 8.9259 130.6924 49.6260 20.3061 174.2946 103 P 4.6283 0.0000 0.0000 63.7814 31.8170 175.2429 104 N 4.6771 9.5374 120.3618 55.0153 40.7392 174.6530 *111 A 4.1082 7.8316 119.4516 50.7605 19.6458 174.4573 112 P 4.3626 0.0000 0.0000 62.7981 31.5714 175.8077 113 F 4.6965 8.7166 123.8074 57.7897 40.7904 173.7049 114 E 4.8976 7.9314 125.7741 55.3207 32.8871 173.4910 115 V 4.5870 8.6929 127.4759 61.0105 34.8663 174.3403 116 R 4.8612 8.4570 125.3464 54.2219 34.0503 173.8325 117 L 4.6719 8.4339 125.7609 53.7434 44.0928 174.6233 118 Y 4.8276 8.9391 123.5788 55.9064 41.5744 174.4666 119 K 4.7429 8.8467 124.6859 54.3685 34.4358 176.1869 120 N 3.9144 8.9645 127.0586 54.8406 38.4010 177.5550 121 K 4.2471 8.7666 126.7746 58.1802 32.6962 176.0861 122 D 4.5556 8.1865 120.9838 53.4774 41.2483 175.4916 123 M 3.5415 8.6218 124.8664 55.4315 32.5451 175.4119 124 I 4.3467 8.4001 119.9450 61.1758 39.6316 175.4111 125 Q 4.5705 7.3337 122.7456 55.0954 32.4311 172.5918 126 T 4.9085 8.3671 119.1222 60.1853 70.5061 172.5868 127 L 4.9145 9.3538 128.9791 53.4578 44.1366 176.9866 128 T 4.8576 8.7292 114.0431 59.9447 69.1935 172.5573 129 N 4.7224 8.2854 120.1378 52.4981 39.4204 174.4909 130 K 3.3982 8.3882 124.0472 57.0399 33.6108 177.2076 131 S 4.3040 8.5427 114.8045 60.0287 62.9920 174.2372 132 K 4.4922 7.6113 117.2632 54.6097 33.6154 176.1067 133 I 4.1371 8.1001 122.3792 61.5376 37.7459 175.4652 134 Q 4.7552 8.7657 125.6726 53.8210 31.8097 175.1389 135 N 5.0904 8.8853 120.5118 53.5808 39.5609 174.7672 136 V 4.4896 8.5795 114.0291 60.7780 35.4563 174.4555 137 G 4.1121 9.4702 108.1071 45.1487 0.0000 172.6431 138 G 4.0627 7.6979 107.9839 44.8917 0.0000 170.6994 139 T 5.0977 7.4711 116.4064 62.1760 70.3210 174.4440 140 Y 4.8166 9.1072 123.0139 56.2844 42.6058 174.2906 141 E 4.8593 9.0417 123.5178 56.3308 30.4942 176.1591 142 L 4.9962 9.4865 123.6457 53.3160 46.2763 175.2337 143 H 5.5085 9.1099 118.2089 53.4220 32.6346 173.6344 144 V 3.6873 8.4949 119.8086 65.0777 31.5778 176.7019 145 G 4.0154 9.0812 116.0316 45.3030 0.0000 173.5069 146 D 4.8813 8.1701 120.1382 54.5160 42.1628 175.5023 147 T 5.1227 8.7652 110.6294 60.0158 72.4165 172.7808 148 I 4.9633 8.5953 123.3076 59.6956 40.9072 174.1098 149 D 5.2493 8.8941 124.9857 52.5583 45.1365 173.4128 150 L 4.8021 8.4437 126.8699 53.2285 44.0544 175.3762 151 I 4.2043 8.2732 127.2298 59.3602 40.1924 174.4624 152 F 4.7138 8.2163 125.4437 55.9486 39.9885 175.1204 153 N 4.3297 9.0004 123.7962 56.1498 38.9831 174.3777 154 S 4.7721 7.6813 111.8849 55.9511 64.8368 174.4474 155 E 3.7726 8.9293 127.0285 59.8644 29.3086 178.2103 156 H 4.6890 7.6305 111.4315 56.2779 29.2502 176.3078 157 Q 4.2718 8.0413 119.8325 57.3315 28.8752 176.1317 158 V 4.6822 6.9318 115.8316 59.4692 33.7716 176.0615 159 L 4.2812 8.7798 123.4643 53.8644 40.4620 177.8145 160 K 4.2729 8.4631 123.1312 57.7860 32.2550 178.0477 161 N 4.9842 8.0190 116.2527 53.6097 39.2540 174.0565 162 N 5.2282 8.4322 114.0088 54.1107 40.2177 173.2709 163 T 5.0436 7.8801 112.7644 61.5394 72.2250 172.5016 164 Y 5.6829 8.7234 122.5112 56.6296 41.9480 172.9665 165 W 5.7313 8.9156 115.8686 55.7473 32.2217 173.7869 166 G 3.9991 8.9172 107.9671 45.6437 0.0000 170.9841 167 I 5.5497 8.7731 118.3507 59.8434 41.9487 173.4483 168 I 5.2062 9.1397 127.6473 59.2158 41.7758 173.5896 169 L 4.0275 8.6892 131.4285 54.6446 41.8450 176.2649 170 L 4.3573 8.6807 127.2731 57.2046 42.6292 177.0906 171 A 4.3815 7.1473 116.7241 50.7632 22.2054 175.6292 172 N 4.7170 8.1332 115.6083 50.4480 37.3389 172.5416 173 P 4.2507 0.0000 0.0000 62.8409 32.6836 178.1375 174 Q 3.9552 8.5570 118.9914 59.2135 28.6349 178.4863 175 F 4.4708 7.7951 110.4890 58.4026 38.2298 175.1119 176 I 4.1796 7.2425 127.4189 61.5678 37.0438 175.2494 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 19 R 8.11 4.31 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 20 M 8.04 3.92 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.75 0.00 21 K 8.86 4.10 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 22 Q 7.97 3.95 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 23 I 7.38 3.69 2.04 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 1.52 0.73 0.91 0.00 0.00 24 E 8.38 3.96 0.00 2.15 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 2.33 2.53 0.00 25 D 8.39 4.41 0.00 2.87 2.71 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 0.00 0.00 0.00 26 K 8.48 4.01 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 27 I 8.02 3.70 2.01 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 1.41 0.96 0.91 0.00 0.00 28 E 8.33 4.00 0.00 2.12 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 0.00 2.29 2.46 0.00 29 E 8.18 4.01 0.00 2.04 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 0.00 2.24 2.22 0.00 30 I 8.10 3.87 2.02 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 1.53 0.55 0.93 0.00 0.00 31 L 7.91 3.99 0.00 2.02 1.76 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.93 4.13 0.00 3.83 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 33 K 8.17 4.10 0.00 2.06 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.73 7.81 34 I 8.15 3.76 2.07 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 1.43 0.83 0.94 0.00 0.00 35 Y 8.31 3.91 0.00 3.21 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 36 H 8.56 4.22 0.00 3.39 3.55 0.00 5.84 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 37 I 8.02 3.89 2.00 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 1.53 1.29 0.88 0.00 0.00 38 E 8.52 3.89 0.00 1.85 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 2.41 2.42 0.00 39 N 8.04 4.17 0.00 2.84 2.81 0.00 0.00 6.96 7.17 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 40 E 8.14 3.93 0.00 2.07 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 0.00 2.23 2.23 0.00 41 I 8.07 3.64 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.87 0.00 0.00 42 A 8.18 3.94 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 43 R 7.99 3.89 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 44 I 7.67 3.70 1.97 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 1.50 0.53 0.89 0.00 0.00 45 K 8.20 4.02 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 46 K 7.66 4.07 0.00 1.93 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 47 L 7.10 3.94 0.00 1.83 1.59 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *57 P 0.00 4.16 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 58 C 8.41 4.71 0.00 3.06 3.05 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 59 M 8.73 5.62 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 60 A 8.81 5.20 1.21 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 0.00 0.00 0.00 0.00 0.00 61 K 9.65 4.85 0.00 1.78 1.53 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.56 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.07 1.34 7.81 62 F 8.45 3.78 0.00 1.51 1.57 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 63 G 7.03 3.93 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 0.00 0.00 0.00 64 P 0.00 4.96 0.00 2.32 2.40 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 65 L 8.08 4.33 0.00 1.88 1.64 0.77 1.41 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 66 P 0.00 4.38 0.00 2.11 2.12 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 67 S 7.65 4.14 0.00 3.73 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 68 K 7.50 3.19 0.00 1.50 0.77 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.06 7.81 69 W 8.84 4.85 0.00 3.19 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 70 Q 9.50 4.74 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 71 M 8.82 5.30 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 72 A 8.44 4.82 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 *76 P 0.00 4.18 0.00 2.22 2.11 0.00 3.77 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 1.89 1.96 0.00 77 P 0.00 4.45 0.00 2.35 2.08 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 78 C 8.70 4.72 0.00 3.24 3.45 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 79 V 7.56 5.00 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 0.64 0.00 0.00 0.84 0.00 0.00 80 N 8.97 4.93 0.00 2.60 2.50 0.00 0.00 7.28 6.30 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 81 K 8.50 3.61 0.00 1.38 1.07 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.34 7.81 82 V 8.17 4.07 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 0.84 0.00 0.00 0.95 0.00 0.00 83 S 7.51 4.62 0.00 4.06 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 84 D 8.48 3.88 0.00 2.73 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 85 W 6.29 3.34 0.00 3.51 3.59 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 86 K 8.46 5.50 0.00 2.14 1.73 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.61 7.81 87 L 9.09 4.88 0.00 1.78 1.57 -0.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.03 5.08 0.00 1.93 1.75 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 2.13 2.20 0.00 89 I 8.93 4.42 1.94 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.84 0.00 0.00 90 L 9.16 4.71 0.00 1.45 1.67 0.89 0.80 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 91 Q 7.97 4.68 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 92 N 9.28 4.68 0.00 2.64 2.83 0.00 0.00 6.95 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 93 G 8.32 3.83 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 0.00 94 L 7.99 5.20 0.00 1.74 1.48 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 9.39 5.23 0.00 3.07 2.97 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 96 L 9.11 5.21 0.00 1.86 1.69 1.08 1.26 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 97 I 9.16 5.38 2.11 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.97 0.00 0.00 98 Y 9.18 5.57 0.00 3.20 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 99 G 8.09 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 0.00 100 Q 7.32 4.94 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.70 0.00 0.00 0.00 0.00 0.00 1.36 2.15 0.00 101 V 8.91 4.72 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 1.22 0.00 0.00 1.01 0.00 0.00 102 A 8.93 4.92 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 0.00 103 P 0.00 4.63 0.00 1.79 1.19 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 104 N 9.54 4.68 0.00 2.70 2.84 0.00 0.00 7.07 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 *111 A 7.83 4.11 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 0.00 112 P 0.00 4.36 0.00 2.21 2.10 0.00 3.78 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 1.99 1.97 0.00 113 F 8.72 4.70 0.00 3.19 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 0.00 114 E 7.93 4.90 0.00 1.95 1.78 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 2.16 2.22 0.00 115 V 8.69 4.59 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 0.64 0.00 0.00 0.73 0.00 0.00 116 R 8.46 4.86 0.00 1.74 1.22 0.00 3.15 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 117 L 8.43 4.67 0.00 1.44 1.22 0.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.94 4.83 0.00 2.81 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 0.00 119 K 8.85 4.74 0.00 1.52 1.53 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.25 7.81 120 N 8.96 3.91 0.00 2.85 1.93 0.00 0.00 7.06 8.09 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 0.00 121 K 8.77 4.25 0.00 1.72 1.87 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.45 7.81 122 D 8.19 4.56 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.62 3.54 0.00 1.72 1.68 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 124 I 8.40 4.35 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.77 0.00 0.00 125 Q 7.33 4.57 0.00 2.06 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 126 T 8.37 4.91 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 1.14 0.00 0.00 127 L 9.35 4.91 0.00 1.57 1.85 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.73 4.86 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 1.25 0.00 0.00 129 N 8.29 4.72 0.00 2.68 2.86 0.00 0.00 7.13 7.96 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 0.00 130 K 8.39 3.40 0.00 1.92 1.59 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 0.98 7.81 131 S 8.54 4.30 0.00 3.75 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 0.00 132 K 7.61 4.49 0.00 2.00 1.68 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.37 1.01 7.81 133 I 8.10 4.14 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 1.33 0.45 0.95 0.00 0.00 134 Q 8.77 4.76 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 135 N 8.89 5.09 0.00 2.63 2.82 0.00 0.00 6.81 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 0.00 136 V 8.58 4.49 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 0.91 0.00 0.00 0.94 0.00 0.00 137 G 9.47 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 0.00 0.00 0.00 0.00 138 G 7.70 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 0.00 0.00 0.00 0.00 139 T 7.47 5.10 4.13 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 1.29 0.00 0.00 140 Y 9.11 4.82 0.00 2.90 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 0.00 141 E 9.04 4.86 0.00 1.93 1.96 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 2.43 2.44 0.00 142 L 9.49 5.00 0.00 1.46 1.39 0.67 0.77 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 0.00 143 H 9.11 5.51 0.00 3.10 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.49 3.69 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 0.74 0.00 0.00 1.11 0.00 0.00 145 G 9.08 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 0.00 0.00 0.00 146 D 8.17 4.88 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 147 T 8.77 5.12 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 1.19 0.00 0.00 148 I 8.60 4.96 2.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.94 0.21 0.00 0.00 149 D 8.89 5.25 0.00 2.75 2.42 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 0.00 150 L 8.44 4.80 0.00 1.05 1.46 0.56 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.27 4.20 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.80 0.00 0.00 152 F 8.22 4.71 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 9.00 4.33 0.00 2.78 2.73 0.00 0.00 6.96 8.12 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 0.00 154 S 7.68 4.77 0.00 3.86 3.67 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 0.00 0.00 0.00 0.00 155 E 8.93 3.77 0.00 1.86 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 2.40 2.29 0.00 156 H 7.63 4.69 0.00 3.15 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.04 4.27 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 158 V 6.93 4.68 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 0.09 0.00 0.00 0.86 0.00 0.00 159 L 8.78 4.28 0.00 1.82 1.70 0.92 0.82 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 0.00 160 K 8.46 4.27 0.00 1.95 1.99 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 0.99 7.81 161 N 8.02 4.98 0.00 2.70 2.84 0.00 0.00 6.72 7.79 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 0.00 162 N 8.43 5.23 0.00 2.73 2.74 0.00 0.00 6.89 7.02 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 0.00 163 T 7.88 5.04 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 1.40 0.00 0.00 164 Y 8.72 5.68 0.00 3.11 3.08 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 0.00 0.00 0.00 165 W 8.92 5.73 0.00 3.60 3.28 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 0.00 166 G 8.92 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 0.00 167 I 8.77 5.55 2.32 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 1.51 1.73 1.03 0.00 0.00 168 I 9.14 5.21 2.04 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 1.17 1.82 1.12 0.00 0.00 169 L 8.69 4.03 0.00 1.50 1.49 0.24 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.68 4.36 0.00 1.61 1.68 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.15 4.38 1.11 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 0.00 0.00 172 N 8.13 4.72 0.00 2.70 2.82 0.00 0.00 6.10 7.75 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 0.00 173 P 0.00 4.25 0.00 0.95 1.74 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 174 Q 8.56 3.96 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 175 F 7.80 4.47 0.00 3.06 3.21 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 0.00 0.00 0.00 176 I 7.24 4.18 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 1.62 0.52 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.