NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3298 8.2649 123.5828 50.8856 19.9547 176.5292 2 P 4.3343 0.0000 0.0000 62.8536 31.6897 175.1763 3 Q 4.4770 9.1969 120.1559 55.9719 30.4649 174.9236 4 N 4.7987 7.4092 115.4829 50.8459 41.2674 174.8014 5 I 3.6821 8.1962 119.4763 64.3449 37.8001 177.8393 6 T 3.8384 7.8453 116.2636 66.5306 68.2151 176.2752 7 E 3.9329 8.9396 119.5652 59.3654 29.9476 178.9642 8 L 4.1321 7.9191 120.0938 58.4692 42.3591 178.0838 9 C 4.2668 8.6592 119.0353 59.7658 43.2416 175.6501 10 S 3.9826 7.7523 114.5490 60.9955 62.6008 175.9036 11 E 3.9603 8.0169 120.8951 57.1095 29.4096 176.0892 12 Y 4.7302 7.1228 116.6438 56.0430 39.7380 175.5964 13 H 4.4067 8.8641 121.2335 56.5899 29.7009 174.6904 14 N 4.6807 8.9261 115.4544 54.6917 36.0745 173.9727 15 T 5.7493 7.4807 106.6605 59.6712 71.7177 173.1055 16 Q 4.6282 8.1525 118.2237 55.1889 32.0871 173.0057 17 I 4.6514 8.1664 121.6442 60.7732 38.6110 174.6817 18 Y 4.3337 8.8587 125.3134 56.7379 39.6493 174.9821 19 T 4.4788 8.5074 122.0790 63.4184 68.7939 174.0636 20 I 3.9390 9.2647 127.8030 62.2512 38.6257 177.3193 21 N 4.1738 7.6510 117.0467 53.2962 36.1611 172.8770 22 D 4.7488 7.8731 114.7545 52.8297 45.0317 174.4902 23 K 4.8718 8.3622 122.0036 55.7894 33.4490 176.8716 24 I 3.3408 8.2390 121.5521 61.4948 37.6534 176.0614 25 L 4.4282 8.5272 128.7385 57.7194 42.6713 176.9483 26 S 4.6713 7.6518 111.6587 56.8335 66.9576 172.2683 27 Y 4.8799 7.7753 121.3602 56.1364 41.2523 174.4058 28 T 4.4979 8.3702 122.9930 61.5944 72.2672 172.6969 29 E 4.7953 8.3692 124.8180 54.5398 32.9290 174.1648 30 S 4.8061 8.8641 120.8295 56.4787 65.4821 174.0952 31 L 4.4850 8.6587 125.0813 55.2998 41.2241 176.6029 32 A 4.0851 7.4962 123.4700 52.1645 19.1506 178.7521 33 G 3.8302 8.4457 113.0913 46.7297 0.0000 174.8497 *35 R 4.0989 7.5936 121.6186 57.0696 31.8813 179.4169 36 E 4.7032 8.2209 115.5194 54.8808 28.6786 177.3628 37 M 5.1420 7.6189 120.9647 53.2078 35.6112 175.7839 38 A 5.0723 8.2666 120.3630 50.1819 22.7265 175.2914 39 I 5.0302 8.3738 121.2787 59.3734 41.0958 174.7016 40 I 5.0402 8.8203 119.9006 59.2458 40.9839 174.3789 41 T 5.1443 8.2141 112.3740 60.1124 72.7426 172.3275 42 F 5.3868 8.7565 119.7806 55.2477 43.0844 176.6142 43 K 4.1549 9.1160 119.4490 59.4892 32.5316 177.7307 44 N 4.4688 8.2119 115.3866 53.7828 37.2206 175.7130 45 G 3.8918 8.2414 107.8707 45.0111 0.0000 173.6219 46 A 4.0415 8.2934 122.3027 51.7655 19.8497 176.8491 47 T 4.8049 7.6147 116.8184 61.6754 71.6870 173.4785 48 F 5.3626 9.0771 124.3070 55.6416 43.4103 173.9497 49 Q 5.1997 9.1249 118.5493 54.5121 32.1439 174.3971 50 V 4.6341 8.4105 120.2368 61.0234 33.2829 174.8638 51 E 4.0501 9.0506 130.5211 56.7180 30.1420 177.1498 52 V 3.7746 8.3960 124.4086 61.8924 30.2460 174.0870 *61 Q 4.3345 8.3984 129.3574 56.2903 31.3166 177.9240 62 K 4.0464 8.2388 124.4256 60.5184 31.4972 181.4532 63 K 4.2207 8.0647 123.8258 59.6900 31.7095 181.2247 64 A 4.2262 7.8655 121.5323 54.8752 18.4753 179.6330 65 I 3.6841 7.8966 118.3425 64.7596 37.2751 178.4794 66 E 4.0154 8.1636 119.3343 59.4752 29.2668 179.4928 67 R 3.9347 8.2749 118.8611 59.4405 30.0538 178.2682 68 M 4.0532 8.2023 118.1127 58.5642 32.2434 178.3190 69 K 4.0846 8.0214 118.3494 59.5475 32.2602 178.7716 70 D 4.3931 8.1419 119.0873 57.8693 40.8009 179.0995 71 T 3.8774 8.3340 116.1661 66.8051 68.4382 176.6310 72 L 4.0885 8.3515 121.1330 57.6781 41.5574 179.5490 73 R 2.8922 8.0285 118.6018 59.3148 30.0467 178.5372 74 I 3.6036 7.8116 118.0865 63.6420 37.9066 177.5933 75 A 3.9607 8.4213 122.3341 55.2997 18.2769 178.6863 76 Y 3.9332 8.2319 118.2062 61.1397 38.6631 178.5492 77 L 3.8397 8.0514 118.7778 57.0835 41.7774 178.6460 78 T 4.2889 7.5713 106.8855 60.3705 69.2948 174.2585 79 E 3.6254 7.7898 119.4258 57.2429 27.3742 174.3967 80 A 4.1264 7.7539 120.6395 51.8151 19.7622 177.8694 81 K 4.3687 8.6899 124.2949 56.3958 33.6830 175.8405 82 V 3.8917 8.8700 128.7577 62.8338 32.4577 175.2928 83 E 4.4656 9.4539 130.4398 56.7975 29.8671 175.4236 84 K 5.1731 8.4472 117.2072 54.4313 36.9947 174.6075 85 L 5.0135 8.6288 122.0107 53.0455 45.3159 174.7418 86 C 4.8886 8.7736 124.0370 55.7763 46.3332 172.7446 87 V 4.8724 8.3173 118.3406 59.2365 36.3028 174.6374 88 W 5.0436 9.5060 124.9681 56.3542 29.8502 176.3336 89 N 5.1578 9.9673 122.7477 51.7581 37.5877 175.1558 90 N 4.9089 8.3871 117.8122 53.2910 37.7825 175.1975 91 K 4.7554 7.7933 118.9618 53.4887 35.7958 178.7970 92 T 4.7486 8.2461 116.6297 60.8674 71.2874 172.5206 93 P 4.4709 0.0000 0.0000 62.2534 32.1112 175.9171 94 N 4.7596 8.7984 118.2769 53.7056 39.8337 173.5875 95 S 5.1718 9.0384 117.5065 56.8570 64.5909 173.0669 96 I 4.1496 8.8677 128.9132 61.5765 36.6518 175.5049 97 A 4.0966 8.5933 129.8598 53.5225 19.8919 176.7415 98 A 4.5408 7.1762 114.1727 51.0490 22.8532 175.1793 99 I 5.0402 8.1287 118.6565 59.2421 41.4166 174.4529 100 S 4.9167 9.1722 122.9422 56.7672 66.1879 172.6643 101 M 5.1174 8.4576 120.3547 53.6064 35.1221 175.4219 102 A 4.1173 8.0848 122.8757 52.7697 19.6101 175.7322 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 A 8.26 4.33 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 P 0.00 4.33 0.00 2.15 2.09 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.39 0.00 3 Q 9.20 4.48 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 4 N 7.41 4.80 0.00 2.93 2.88 0.00 0.00 5.85 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 5 I 8.20 3.68 1.83 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 1.57 1.20 0.87 0.00 0.00 6 T 7.85 3.84 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 1.18 0.00 0.00 7 E 8.94 3.93 0.00 2.05 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 2.34 2.48 0.00 8 L 7.92 4.13 0.00 1.89 1.84 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.66 4.27 0.00 3.11 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 10 S 7.75 3.98 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 11 E 8.02 3.96 0.00 1.62 1.64 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 2.25 2.29 0.00 12 Y 7.12 4.73 0.00 2.97 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 13 H 8.86 4.41 0.00 3.31 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.93 4.68 0.00 3.17 3.06 0.00 0.00 6.40 7.05 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 15 T 7.48 5.75 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 1.01 0.00 0.00 16 Q 8.15 4.63 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 17 I 8.17 4.65 1.80 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 1.28 0.79 0.85 0.00 0.00 18 Y 8.86 4.33 0.00 2.83 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 19 T 8.51 4.48 4.21 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 1.18 0.00 0.00 20 I 9.26 3.94 1.56 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 1.17 0.25 0.05 0.00 0.00 21 N 7.65 4.17 0.00 2.84 2.82 0.00 0.00 6.44 8.08 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 22 D 7.87 4.75 0.00 2.86 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 23 K 8.36 4.87 0.00 1.94 1.84 0.00 1.20 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 24 I 8.24 3.34 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.93 0.00 0.00 25 L 8.53 4.43 0.00 1.67 1.74 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.65 4.67 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.78 4.88 0.00 2.48 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 0.00 0.00 0.00 28 T 8.37 4.50 4.09 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 1.07 0.00 0.00 29 E 8.37 4.80 0.00 1.70 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 2.29 0.00 30 S 8.86 4.81 0.00 3.85 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 31 L 8.66 4.49 0.00 1.76 1.75 0.91 0.50 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 32 A 7.50 4.09 1.23 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 0.00 0.00 33 G 8.45 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 *35 R 7.59 4.10 0.00 1.87 1.85 0.00 3.26 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 36 E 8.22 4.70 0.00 1.98 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 2.22 1.82 0.00 37 M 7.62 5.14 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 38 A 8.27 5.07 1.13 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 0.00 0.00 39 I 8.37 5.03 1.71 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 1.22 0.53 0.84 0.00 0.00 40 I 8.82 5.04 1.67 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.98 0.00 0.00 41 T 8.21 5.14 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 1.11 0.00 0.00 42 F 8.76 5.39 0.00 3.26 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 43 K 9.12 4.15 0.00 1.91 2.02 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.50 7.81 44 N 8.21 4.47 0.00 2.90 3.03 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.24 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 46 A 8.29 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.61 4.80 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 1.10 0.00 0.00 48 F 9.08 5.36 0.00 2.98 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 49 Q 9.12 5.20 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 50 V 8.41 4.63 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 1.01 0.00 0.00 0.99 0.00 0.00 51 E 9.05 4.05 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 52 V 8.40 3.77 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 0.69 0.00 0.00 0.93 0.00 0.00 *61 Q 8.40 4.33 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 62 K 8.24 4.05 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.09 7.81 63 K 8.06 4.22 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.08 7.81 64 A 7.87 4.23 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 65 I 7.90 3.68 2.03 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 1.57 1.27 0.94 0.00 0.00 66 E 8.16 4.02 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 2.59 2.48 0.00 67 R 8.27 3.93 0.00 1.89 2.18 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.20 4.05 0.00 2.35 2.15 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 2.64 2.66 0.00 69 K 8.02 4.08 0.00 2.10 1.96 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.67 7.81 70 D 8.14 4.39 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.33 3.88 4.43 0.00 0.00 0.00 0.00 0.00 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 72 L 8.35 4.09 0.00 1.88 1.93 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.03 2.89 0.00 1.49 1.89 0.00 3.02 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.00 74 I 7.81 3.60 1.84 0.00 0.00 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 1.43 1.03 0.99 0.00 0.00 75 A 8.42 3.96 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 76 Y 8.23 3.93 0.00 3.06 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 77 L 8.05 3.84 0.00 1.59 1.67 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.57 4.29 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 1.19 0.00 0.00 79 E 7.79 3.63 0.00 2.10 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 0.00 2.04 2.09 0.00 80 A 7.75 4.13 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 81 K 8.69 4.37 0.00 1.87 1.72 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.50 7.81 82 V 8.87 3.89 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 0.87 0.00 0.00 1.19 0.00 0.00 83 E 9.45 4.47 0.00 2.04 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 2.24 2.22 0.00 84 K 8.45 5.17 0.00 1.67 1.57 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.63 5.01 0.00 1.12 1.14 0.47 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.77 4.89 0.00 2.85 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 87 V 8.32 4.87 2.23 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 0.35 0.00 0.00 1.19 0.00 0.00 88 W 9.51 5.04 0.00 3.39 3.22 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 89 N 9.97 5.16 0.00 2.79 3.12 0.00 0.00 6.87 8.56 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 90 N 8.39 4.91 0.00 2.90 3.02 0.00 0.00 5.78 7.13 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 91 K 7.79 4.76 0.00 1.64 1.63 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.00 7.81 92 T 8.25 4.75 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 1.21 0.00 0.00 93 P 0.00 4.47 0.00 2.03 2.04 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 94 N 8.80 4.76 0.00 3.02 3.04 0.00 0.00 7.16 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 95 S 9.04 5.17 0.00 4.08 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 96 I 8.87 4.15 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.79 0.85 0.00 0.00 97 A 8.59 4.10 -0.14 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 0.00 0.00 98 A 7.18 4.54 1.07 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 0.00 0.00 99 I 8.13 5.04 1.85 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 1.40 0.98 0.91 0.00 0.00 100 S 9.17 4.92 0.00 3.84 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 0.00 101 M 8.46 5.12 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.08 4.12 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 * Residues marked with a * may have inaccurate shift predictions.