NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3318 8.1849 120.6344 53.6168 43.3837 176.5446 4 P 4.2929 0.0000 0.0000 61.3542 31.9935 174.0682 5 D 4.5424 8.7417 120.4575 56.2882 41.8883 176.7471 6 G 3.8523 9.2195 113.9776 44.9580 0.0000 172.3478 7 F 4.9716 7.7571 117.6244 55.9293 41.9026 174.2867 8 Y 5.0409 8.3493 118.0436 55.7334 42.0052 173.2901 9 I 5.0939 8.5611 119.8636 59.3339 40.6289 174.2934 10 R 4.8030 8.5068 124.1383 54.2066 32.8864 175.7417 11 R 4.7584 8.3796 126.0295 55.7552 28.9883 175.1540 *13 E 4.2288 8.4487 116.0607 55.4798 30.7153 175.8491 14 E 4.0580 8.9507 120.0809 59.6171 29.4128 177.7686 15 G 3.9085 8.1092 105.1085 46.5047 0.0000 174.0617 16 D 4.5362 8.4017 119.8866 54.8825 40.8932 177.3806 17 L 2.7798 7.2767 121.2665 58.5931 41.8009 178.4509 18 E 3.8274 7.9023 116.9942 59.7040 29.3533 179.1955 19 Q 3.9626 8.0369 117.0494 59.4179 28.8517 179.6264 20 V 3.6611 8.4800 119.4269 65.8092 31.4464 178.2529 21 T 3.8514 7.9644 110.1412 64.7477 68.5276 176.4297 22 E 4.0428 7.9897 119.2258 58.2636 29.7392 178.3240 23 T 4.2367 7.5443 110.7152 63.9777 69.3207 176.8151 24 L 4.0898 8.1781 121.5621 56.9813 41.4512 179.0807 25 K 4.0448 8.0371 118.0344 59.1953 31.9391 178.8967 26 V 3.7385 7.3058 118.2905 65.7910 31.4678 177.3950 27 L 4.1998 7.9503 119.9420 58.3929 42.5358 177.0697 28 T 4.5142 7.3943 106.8673 61.0623 70.9636 172.6151 29 T 4.0267 8.4502 118.0809 64.3509 69.0958 173.8004 30 V 3.9586 8.6418 125.5668 64.9295 32.8619 176.3239 31 G 3.7170 8.0699 104.2147 44.5368 0.0000 171.7692 32 T 4.3181 8.1458 117.1329 62.2799 68.6883 174.3567 33 I 4.5128 8.0351 127.4954 58.9746 40.1386 176.4677 34 T 4.2586 8.3017 116.2780 60.5646 71.1294 173.8289 35 P 4.3037 0.0000 0.0000 65.9989 31.3454 178.6065 36 E 3.9478 8.1171 117.8513 59.3687 29.5181 179.1003 37 S 4.0670 7.9930 115.0600 61.8024 62.9326 176.7343 38 F 4.0164 8.3934 123.1625 61.2852 39.0928 176.6531 39 C 4.0351 8.3465 118.4906 62.3844 31.2580 175.7908 40 K 3.9338 7.8706 120.0533 59.1724 31.5826 179.1183 41 L 3.5939 7.6259 120.6649 58.0959 41.8191 179.1868 42 I 3.5468 7.2771 119.7525 63.6966 36.8217 178.3334 43 K 3.8629 7.7130 120.6718 59.5934 32.0908 178.0127 44 Y 4.2424 8.0931 119.8817 60.8712 38.5427 178.3903 45 W 4.0005 8.2536 118.2878 59.0045 29.1587 177.2650 46 N 4.7759 8.1936 114.6410 53.3362 38.4895 175.1509 47 E 4.4193 7.6507 117.3425 56.6560 31.5371 176.4850 48 A 4.1291 7.9525 123.5068 52.1948 18.5382 176.4809 49 T 4.8155 8.3071 112.8358 59.9272 72.1112 173.4738 50 V 4.2196 8.4703 123.4895 60.8544 32.6568 175.5058 51 W 4.3701 8.9015 135.0000 57.8642 30.9090 174.6348 52 N 3.5752 7.7131 122.7269 51.1543 39.6352 173.3321 53 D 4.9013 7.5540 116.7314 53.0750 40.0141 176.3959 54 N 4.5413 7.7369 116.1196 53.7332 39.4743 175.2481 55 E 4.0316 8.7712 121.7007 59.1180 30.4102 177.2007 56 D 4.7813 7.6476 114.1143 52.7579 41.1751 174.5073 57 K 4.5183 7.6986 119.6774 54.3208 35.3870 174.4924 58 K 4.4898 8.6666 126.8999 54.6854 34.1763 174.9892 59 I 3.9317 7.5588 126.5413 59.5238 40.6886 174.8445 *61 Q 4.0644 8.5951 117.5260 56.4087 30.9276 175.0135 62 Y 4.3731 7.8288 114.2674 56.0538 39.9044 176.0867 63 N 5.1125 8.6427 119.6924 50.9549 39.2939 172.0022 64 P 4.4896 0.0000 0.0000 62.3837 34.1861 176.6776 *66 V 4.1372 8.0893 112.3685 61.4439 33.5549 174.5222 67 I 4.6359 8.6745 125.6463 59.7532 39.3035 174.6904 68 V 4.5105 8.2920 127.5845 60.8155 34.0135 174.1318 69 D 4.0735 8.7982 128.2552 53.5105 41.2138 176.6952 70 K 4.0300 9.7074 129.3664 59.7194 32.3348 178.3223 71 R 4.0846 8.3372 119.1844 59.0065 28.9125 177.5114 72 T 4.5473 7.4499 103.6380 60.2379 69.7069 173.5383 73 E 4.0860 8.4554 119.9464 57.8074 27.8878 174.0616 74 T 4.5727 7.0265 108.2338 59.9734 71.2370 174.0188 75 V 4.0104 8.3939 124.5936 63.3521 31.6692 175.2923 76 A 4.2121 9.0003 129.6753 52.9287 20.7274 176.1664 77 A 4.8426 7.3934 114.2792 51.6756 22.6246 175.2565 78 T 4.8652 8.7545 113.9602 60.7874 71.2114 172.9721 79 G 4.5558 8.4384 112.9832 45.3933 0.0000 171.3747 80 N 5.4765 8.8518 118.0709 50.5204 43.1165 172.9688 81 I 4.9131 8.0841 123.0642 59.3905 40.9084 174.1004 82 I 4.2360 8.9603 131.2053 59.8607 38.9222 174.7029 83 I 4.6421 8.4134 128.6304 59.9111 38.4716 174.8976 84 E 4.7240 8.9755 127.0902 54.3809 33.1317 174.3700 85 R 5.0576 8.5920 123.8852 54.6762 32.1941 175.6563 86 K 4.6451 8.9625 122.7485 54.8817 35.8133 177.4204 87 I 3.8932 8.3477 120.7373 63.8286 37.7967 177.0522 88 I 3.9625 7.6341 112.7619 61.8170 37.8307 174.4960 89 H 3.7715 9.0194 114.3633 57.2074 26.1753 174.6818 90 E 3.6015 8.6044 111.5102 58.2278 27.1289 175.5986 91 L 4.4733 7.8407 115.1824 54.9194 39.8602 174.8558 92 G 4.2154 8.3511 107.3146 45.4852 0.0000 172.1870 93 L 5.2316 8.5207 119.9459 53.2280 44.0650 175.2652 94 C 4.8597 8.9734 123.6283 57.4128 34.7243 172.8844 95 G 4.2566 8.7504 113.5410 45.3292 0.0000 172.3273 96 H 5.3024 9.0169 119.8005 53.7603 32.0258 172.7131 97 I 4.5474 8.6752 125.8033 60.5776 38.1250 175.4048 98 E 4.6071 9.1844 125.5553 53.7705 34.1750 175.0399 99 D 4.4133 8.3970 118.2733 55.5036 38.2859 174.6805 100 I 4.3733 7.4227 118.5169 61.0263 38.7381 177.5098 101 A 4.5978 9.1732 128.9127 50.4648 22.4748 174.7930 102 V 4.3469 8.3679 123.1405 61.4936 32.9463 175.2600 103 N 4.6015 9.2930 127.6037 53.4747 39.5883 175.9195 104 S 4.1357 9.0257 120.0745 61.4767 63.1534 176.6657 105 K 3.9454 8.6375 119.4460 58.4294 31.7848 177.1781 106 Y 4.7823 7.9349 114.9881 57.6319 38.1170 175.8140 107 Q 4.1378 7.9739 120.3001 56.2276 29.4166 176.5426 108 G 4.3896 8.7228 105.6812 46.3940 0.0000 174.6862 109 Q 4.4440 7.5672 116.5604 52.2783 29.5476 174.4961 110 G 3.8461 9.0375 118.3534 45.8163 0.0000 174.8229 111 L 3.4841 8.1258 120.9756 56.3764 42.7669 177.7319 112 G 3.5816 7.7417 104.6434 47.7698 0.0000 175.6988 113 K 3.8667 8.1903 122.1362 59.1887 31.8735 178.6551 114 L 4.2216 7.7345 118.7468 57.2513 41.6072 179.0598 115 L 3.9417 7.8175 120.6134 58.1680 42.0951 178.9221 116 I 3.7360 8.0449 120.3685 64.3905 37.1510 177.6665 117 D 4.6187 8.1080 118.3230 54.8010 39.6005 178.3828 118 Q 3.8532 7.6349 121.7651 59.2421 29.1288 177.4679 119 L 3.8773 7.7767 120.0189 57.8670 41.6515 179.4762 120 V 3.2416 7.6349 117.8940 66.3780 31.2949 177.9317 121 T 3.8752 7.6876 114.9992 66.8410 68.2645 176.3394 122 I 3.4721 7.6649 121.4873 64.2942 37.2104 178.7454 123 G 3.4585 7.9130 106.2865 47.9613 0.0000 175.8706 124 F 4.6581 8.1002 120.6789 60.1644 38.6320 177.6134 125 D 4.4043 8.1424 118.2726 57.5884 40.6267 178.0911 126 Y 4.6237 7.4629 116.3916 60.5928 37.9198 176.0593 127 G 3.7674 7.6286 106.2061 45.0252 0.0000 173.8326 128 C 4.8245 8.1661 118.1811 59.8533 28.4568 173.6082 129 Y 4.4522 8.3271 121.5142 58.1954 38.7163 175.1147 130 K 4.6591 6.5471 120.3769 54.8626 36.2174 174.7207 131 I 4.9365 8.0292 124.4328 59.5754 40.8102 174.4257 132 I 4.9000 8.6058 119.9935 59.2838 41.3683 173.8969 133 L 4.6272 8.1126 119.9654 55.2924 42.4780 173.9085 134 D 4.9118 8.4096 120.0224 53.1153 43.3146 175.1108 135 C 4.6159 7.8312 114.4997 57.2978 32.4788 172.8873 136 D 4.6258 8.4182 119.2119 53.3271 42.0935 176.1861 137 E 3.9695 8.7791 125.6057 59.5912 29.3652 179.6150 138 K 4.1713 8.2958 115.4188 58.7909 32.8478 177.1043 139 N 4.9615 8.2280 116.9437 52.9102 39.3423 176.2255 140 V 3.7511 7.9666 121.7329 66.1024 31.6459 177.8290 141 K 3.9116 8.1706 117.5710 59.6291 31.7276 178.5108 142 F 4.2044 8.3118 118.8060 61.9358 39.4133 176.3163 143 Y 3.7196 7.9782 115.6610 60.4427 37.2865 177.7438 144 E 4.9787 8.7788 121.3336 58.7341 29.3181 178.9474 145 K 4.2157 8.0193 116.7592 57.8947 32.3329 177.3046 146 C 4.4043 7.5732 115.9114 59.3785 28.2906 174.3829 147 G 4.0988 7.8730 107.3441 45.1489 0.0000 174.1177 148 F 4.3713 8.5007 119.3241 56.7478 39.9961 174.8439 149 S 5.0457 8.2546 120.5912 56.2880 65.0498 173.7323 150 N 4.5118 8.5560 121.1592 54.1881 39.2325 174.5361 151 A 4.6503 8.6517 122.1384 50.4572 22.1040 176.3523 152 G 3.8970 7.1693 101.1138 45.8607 0.0000 171.3116 153 V 4.2869 7.8365 118.3279 61.0642 33.3532 175.1829 154 E 4.4022 8.3288 125.9096 54.4328 31.4782 174.4876 *156 Q 4.1779 8.0784 119.3267 56.3472 29.6653 174.0112 157 I 4.5123 7.6927 115.8834 60.0529 40.8392 174.3326 158 R 4.2374 8.3739 124.1127 56.4906 30.8468 175.2625 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 3 L 8.18 4.33 0.00 1.72 1.76 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.29 0.00 2.56 2.07 0.00 3.61 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 1.87 2.09 0.00 5 D 8.74 4.54 0.00 2.67 2.66 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 6 G 9.22 3.85 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 0.00 0.00 0.00 7 F 7.76 4.97 0.00 3.07 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 8 Y 8.35 5.04 0.00 3.08 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 9 I 8.56 5.09 1.88 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 1.42 1.14 0.96 0.00 0.00 10 R 8.51 4.80 0.00 1.96 2.13 0.00 3.26 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 11 R 8.38 4.76 0.00 1.84 1.70 0.00 3.14 0.00 0.00 3.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 *13 E 8.45 4.23 0.00 2.18 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 2.36 2.55 0.00 14 E 8.95 4.06 0.00 1.95 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 0.00 2.40 2.42 0.00 15 G 8.11 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.40 4.54 0.00 3.06 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 17 L 7.28 2.78 0.00 0.92 1.35 0.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.90 3.83 0.00 2.04 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 2.37 2.42 0.00 19 Q 8.04 3.96 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 20 V 8.48 3.66 2.16 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 1.17 0.00 0.00 1.01 0.00 0.00 21 T 7.96 3.85 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 1.10 0.00 0.00 22 E 7.99 4.04 0.00 2.17 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 0.00 2.60 2.33 0.00 23 T 7.54 4.24 4.27 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 1.27 0.00 0.00 24 L 8.18 4.09 0.00 1.82 1.79 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.04 4.04 0.00 1.90 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 26 V 7.31 3.74 2.34 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 0.79 0.00 0.00 0.93 0.00 0.00 27 L 7.95 4.20 0.00 1.68 1.84 0.95 1.00 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 28 T 7.39 4.51 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 1.23 0.00 0.00 29 T 8.45 4.03 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 1.22 0.00 0.00 30 V 8.64 3.96 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 0.79 0.00 0.00 1.00 0.00 0.00 31 G 8.07 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 32 T 8.15 4.32 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 1.20 0.00 0.00 33 I 8.04 4.51 1.82 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 1.48 0.60 0.97 0.00 0.00 34 T 8.30 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 1.20 0.00 0.00 35 P 0.00 4.30 0.00 2.30 2.35 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 36 E 8.12 3.95 0.00 2.03 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 2.40 2.41 0.00 37 S 7.99 4.07 0.00 4.07 3.91 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 0.00 0.00 0.00 38 F 8.39 4.02 0.00 3.14 3.03 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 39 C 8.35 4.04 0.00 3.19 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 40 K 7.87 3.93 0.00 1.95 1.75 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.56 7.81 41 L 7.63 3.59 0.00 1.34 1.09 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.28 3.55 1.61 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 0.46 0.30 0.86 0.00 0.00 43 K 7.71 3.86 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 44 Y 8.09 4.24 0.00 2.93 2.99 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 45 W 8.25 4.00 0.00 3.14 2.98 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 46 N 8.19 4.78 0.00 2.77 2.88 0.00 0.00 6.85 8.41 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 47 E 7.65 4.42 0.00 2.07 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 2.58 2.31 0.00 48 A 7.95 4.13 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 49 T 8.31 4.82 4.20 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 1.24 0.00 0.00 50 V 8.47 4.22 1.87 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 0.66 0.00 0.00 0.84 0.00 0.00 51 W 8.90 4.37 0.00 3.36 3.19 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 0.00 52 N 7.71 3.58 0.00 2.36 2.26 0.00 0.00 6.05 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 53 D 7.55 4.90 0.00 2.85 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 54 N 7.74 4.54 0.00 2.65 2.74 0.00 0.00 7.07 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 55 E 8.77 4.03 0.00 1.90 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 2.29 2.36 0.00 56 D 7.65 4.78 0.00 2.58 2.50 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 0.00 0.00 0.00 0.00 57 K 7.70 4.52 0.00 1.68 1.62 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.41 7.81 58 K 8.67 4.49 0.00 1.73 1.69 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.42 7.81 59 I 7.56 3.93 1.67 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 0.96 0.38 0.05 0.00 0.00 *61 Q 8.60 4.06 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 62 Y 7.83 4.37 0.00 2.31 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 0.00 0.00 0.00 63 N 8.64 5.11 0.00 2.73 2.66 0.00 0.00 6.61 7.31 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 64 P 0.00 4.49 0.00 2.33 2.09 0.00 3.72 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 *66 V 8.09 4.14 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 0.96 0.00 0.00 1.00 0.00 0.00 67 I 8.67 4.64 1.74 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 1.06 0.56 0.82 0.00 0.00 68 V 8.29 4.51 0.70 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 0.81 0.00 0.00 0.68 0.00 0.00 69 D 8.80 4.07 0.00 2.58 2.46 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 0.00 0.00 0.00 0.00 70 K 9.71 4.03 0.00 2.05 1.83 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.61 7.81 71 R 8.34 4.08 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 72 T 7.45 4.55 4.27 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 1.22 0.00 0.00 73 E 8.46 4.09 0.00 2.14 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 0.00 2.31 2.43 0.00 74 T 7.03 4.57 4.29 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 1.32 0.00 0.00 75 V 8.39 4.01 2.07 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 0.83 0.00 0.00 0.92 0.00 0.00 76 A 9.00 4.21 0.54 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 0.00 0.00 77 A 7.39 4.84 1.12 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 78 T 8.75 4.87 4.27 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 1.26 0.00 0.00 79 G 8.44 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 5.48 0.00 2.71 2.53 0.00 0.00 6.49 8.16 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 81 I 8.08 4.91 1.79 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 1.26 1.10 0.83 0.00 0.00 82 I 8.96 4.24 1.65 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 0.68 -0.12 0.42 0.00 0.00 83 I 8.41 4.64 1.69 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.80 0.00 0.00 84 E 8.98 4.72 0.00 1.96 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 2.26 0.00 85 R 8.59 5.06 0.00 1.79 1.94 0.00 3.61 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 86 K 8.96 4.65 0.00 1.93 1.79 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 87 I 8.35 3.89 1.90 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 1.49 0.83 0.93 0.00 0.00 88 I 7.63 3.96 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.94 0.00 0.00 89 H 9.02 3.77 0.00 2.93 2.89 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.60 3.60 0.00 2.10 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 2.20 2.27 0.00 91 L 7.84 4.47 0.00 1.84 1.86 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.35 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 0.00 0.00 0.00 0.00 93 L 8.52 5.23 0.00 1.65 1.58 0.85 0.66 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 94 C 8.97 4.86 0.00 2.81 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 95 G 8.75 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 96 H 9.02 5.30 0.00 3.00 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.68 4.55 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.93 0.00 0.00 98 E 9.18 4.61 0.00 1.77 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 2.18 2.37 0.00 99 D 8.40 4.41 0.00 2.80 2.72 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 0.00 100 I 7.42 4.37 1.98 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 1.33 0.87 0.99 0.00 0.00 101 A 9.17 4.60 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 0.00 102 V 8.37 4.35 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 0.84 0.00 0.00 0.88 0.00 0.00 103 N 9.29 4.60 0.00 2.82 2.93 0.00 0.00 6.63 7.51 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 0.00 104 S 9.03 4.14 0.00 4.03 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 0.00 105 K 8.64 3.95 0.00 1.80 1.46 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.35 7.81 106 Y 7.93 4.78 0.00 3.00 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 0.00 107 Q 7.97 4.14 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.18 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 108 G 8.72 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 0.00 109 Q 7.57 4.44 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 110 G 9.04 3.85 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 0.00 0.00 0.00 111 L 8.13 3.48 0.00 1.62 1.62 0.57 0.08 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 0.00 112 G 7.74 3.58 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 0.00 0.00 0.00 113 K 8.19 3.87 0.00 1.91 1.84 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.45 7.81 114 L 7.73 4.22 0.00 1.66 1.66 0.88 0.54 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 0.00 115 L 7.82 3.94 0.00 1.83 1.91 0.91 1.16 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 0.00 116 I 8.04 3.74 1.96 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 1.87 0.67 0.96 0.00 0.00 117 D 8.11 4.62 0.00 3.00 2.94 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 Q 7.63 3.85 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 119 L 7.78 3.88 0.00 1.88 1.65 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.63 3.24 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 1.01 0.00 0.00 121 T 7.69 3.88 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 1.18 0.00 0.00 122 I 7.66 3.47 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.51 0.00 0.00 123 G 7.91 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.10 4.66 0.00 3.04 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 0.00 125 D 8.14 4.40 0.00 2.76 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 0.00 126 Y 7.46 4.62 0.00 3.12 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 0.00 127 G 7.63 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.17 4.82 0.00 3.05 2.99 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 0.00 129 Y 8.33 4.45 0.00 3.06 3.12 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 0.00 130 K 6.55 4.66 0.00 1.42 0.74 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.32 7.81 131 I 8.03 4.94 1.45 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.29 0.75 0.00 0.00 132 I 8.61 4.90 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.21 0.81 0.00 0.00 133 L 8.11 4.63 0.00 1.46 1.48 -0.07 -0.21 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 0.00 134 D 8.41 4.91 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 0.00 135 C 7.83 4.62 0.00 3.17 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 0.00 136 D 8.42 4.63 0.00 2.73 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 0.00 137 E 8.78 3.97 0.00 2.16 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 2.34 2.42 0.00 138 K 8.30 4.17 0.00 1.95 1.94 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.55 7.81 139 N 8.23 4.96 0.00 3.15 3.09 0.00 0.00 6.50 7.20 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 0.00 140 V 7.97 3.75 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 0.00 141 K 8.17 3.91 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.55 7.81 142 F 8.31 4.20 0.00 2.77 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 0.00 143 Y 7.98 3.72 0.00 3.06 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 0.00 144 E 8.78 4.98 0.00 2.15 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 0.00 2.42 2.55 0.00 145 K 8.02 4.22 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.69 7.81 146 C 7.57 4.40 0.00 2.98 2.99 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 0.00 147 G 7.87 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.50 4.37 0.00 3.24 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 0.00 149 S 8.25 5.05 0.00 3.84 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 0.00 150 N 8.56 4.51 0.00 2.71 2.74 0.00 0.00 6.74 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 0.00 151 A 8.65 4.65 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 0.00 152 G 7.17 3.90 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 0.00 153 V 7.84 4.29 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 0.83 0.00 0.00 0.94 0.00 0.00 154 E 8.33 4.40 0.00 1.95 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 2.21 2.55 0.00 *156 Q 8.08 4.18 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.44 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 157 I 7.69 4.51 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 1.42 0.50 0.92 0.00 0.00 158 R 8.37 4.24 0.00 1.79 1.76 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.