NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3556 8.1227 122.4543 52.2677 19.8584 175.6142 4 V 4.5510 7.9886 119.0761 61.9771 34.6756 173.1388 5 T 4.8189 10.3666 125.1368 61.8347 72.5021 172.4928 6 Q 4.7748 8.5931 123.5126 55.4959 31.4286 174.1287 7 S 4.1321 9.3066 119.7781 59.4826 62.4087 172.9537 8 P 4.1809 0.0000 0.0000 63.4057 31.9940 175.7656 9 R 4.2653 8.5774 124.3103 58.2914 31.6960 175.3052 10 N 5.1819 7.9851 114.8910 52.4523 40.9545 173.4300 11 K 4.6833 8.9078 125.3994 54.2862 35.7356 174.7925 12 V 4.8666 8.2915 124.4869 61.2984 34.4857 173.9748 13 A 4.8576 8.8234 128.2118 49.9877 23.4294 174.8237 14 V 4.0930 8.0911 117.1048 62.4856 32.2380 176.0741 15 T 4.1530 8.2959 123.1456 62.6095 65.6647 173.4746 16 G 3.9017 7.3731 120.9605 45.3596 0.0000 170.4948 17 E 4.1305 8.1383 123.5764 55.8337 31.4110 175.6677 18 K 4.6904 8.3712 124.9063 55.0517 31.9905 175.6957 19 V 3.9604 8.2607 127.2690 62.7441 33.4656 175.3389 20 T 4.7342 7.9454 121.4429 62.5744 70.8073 172.4545 21 L 4.3118 8.5135 126.2735 53.8197 42.0374 176.4370 22 S 5.0364 8.5239 119.1303 57.9294 65.3400 173.4916 23 C 5.6066 8.6875 119.0223 55.5038 46.1192 171.9738 24 N 6.2177 9.5368 119.6162 53.2821 42.4433 173.1177 25 Q 4.7949 8.5422 122.5382 55.1273 31.3913 174.7352 26 T 4.3811 8.1628 117.3277 63.5918 69.0654 176.1409 27 N 4.2528 7.9104 119.0025 53.9428 38.5470 174.4016 28 N 4.1859 7.5335 114.2136 54.5958 38.0464 173.7690 29 H 4.6625 7.7514 111.5668 55.2081 29.5414 175.6184 30 N 4.7153 8.7715 119.9311 55.4309 38.7613 175.2327 31 N 5.2450 8.2418 114.5735 50.2294 40.6568 173.7913 32 M 5.0981 8.0174 118.8957 54.1126 36.4775 173.7927 33 Y 5.2568 9.0051 117.2444 57.4066 42.7235 175.4290 34 W 5.2318 8.5569 118.1799 57.7053 32.9158 173.8665 35 Y 5.4425 9.8419 125.1483 56.0422 41.1590 174.9084 36 R 4.4164 8.3418 115.4255 55.8193 32.1683 173.8248 37 Q 5.1770 8.6267 126.3067 54.5043 30.4293 174.8973 38 D 4.6485 8.4097 124.7404 52.5825 44.9992 174.7152 39 T 3.8218 8.6839 114.1257 63.2112 68.6713 172.0558 40 G 4.1150 8.6769 118.6536 45.7763 0.0000 174.2924 41 H 4.9199 7.4990 120.5028 53.0331 29.4293 175.4993 42 G 4.0213 6.5871 113.5382 45.0391 0.0000 174.5342 43 L 4.7768 8.6404 125.0978 53.1719 42.4657 175.4498 44 R 4.7905 8.2521 121.3415 54.0195 33.1125 175.1826 45 L 3.6456 8.6391 126.0634 55.4832 43.1550 175.6298 46 I 4.2857 8.6569 124.6544 62.5121 39.1879 174.7803 47 Y 5.2379 7.8334 118.2535 56.6627 42.6167 173.1799 48 Y 5.4545 8.9583 120.2687 55.5822 42.1566 173.7470 49 S 4.5408 8.3673 113.9540 56.8317 65.8584 173.9576 50 Y 4.6821 9.6910 120.9548 57.3801 38.4624 176.9742 51 G 4.2938 6.7683 113.9477 46.2557 0.0000 174.2021 52 A 4.1356 7.8632 125.4424 53.6908 19.4547 181.5775 53 G 4.1307 7.4911 103.2465 43.9426 0.0000 172.6505 54 S 4.7063 7.9685 114.1612 57.3689 63.9710 173.5506 55 T 4.7040 8.0562 121.5303 62.6994 72.5091 172.7657 56 E 4.5376 9.0632 125.9162 53.8853 33.1937 175.7702 57 K 3.1380 8.5336 123.0276 55.3619 33.0875 176.6788 58 G 4.1514 8.3530 108.7856 46.9625 0.0000 173.8876 59 D 4.8029 8.7678 123.0013 54.2586 42.4644 176.1365 60 I 4.7962 7.0418 117.4797 59.9033 36.3807 175.1460 61 P 4.8429 0.0000 0.0000 64.2581 32.2909 178.2108 62 D 4.4093 7.6943 121.0003 56.1654 41.2813 176.7649 63 G 3.5399 8.8501 112.9514 45.4534 0.0000 171.9274 *65 Y 5.3237 7.1663 115.1708 58.5693 39.5576 173.8790 66 K 4.0485 7.9928 116.1872 55.4789 37.0172 175.2136 67 A 5.0076 7.8248 122.4109 50.3277 22.8740 175.5019 68 S 4.4945 8.7883 113.1439 56.3981 65.9246 173.9107 69 R 5.8557 8.6446 126.7387 52.9919 29.5378 173.9259 70 P 4.3962 0.0000 0.0000 64.8081 32.3056 176.8247 71 S 4.5778 7.7597 111.9139 57.2546 66.0065 175.5848 72 Q 3.9529 8.8971 120.3788 58.9278 28.5189 178.4590 73 E 4.5214 8.1999 112.4506 55.7608 30.3676 174.0836 74 N 5.5182 8.2133 117.7758 51.8899 41.7435 173.5274 75 F 5.4488 9.1065 126.4347 56.8762 42.2067 173.4285 76 S 5.3553 9.1070 121.3166 56.7865 65.9617 172.7575 77 L 4.7325 8.3020 123.0129 53.4151 44.7034 175.0721 78 T 4.8877 8.3921 122.5399 61.7052 71.9317 172.9298 79 L 4.4855 8.5961 127.3255 52.9772 42.5585 177.5279 80 E 4.0375 8.7359 124.5277 58.7809 29.9087 178.2994 81 S 4.5839 7.5911 111.7102 56.0558 63.5403 172.0289 82 A 4.3139 8.6122 125.9401 51.8572 19.3660 177.3801 83 T 4.8359 8.1610 116.7727 60.8383 72.5232 173.2832 84 P 4.3655 0.0000 0.0000 65.7937 31.5466 177.9883 85 S 4.3438 7.9993 111.7371 60.5853 63.7103 174.9922 86 Q 4.5758 8.4877 120.7276 56.6658 28.1704 175.3309 87 T 4.7463 7.1978 117.2923 62.7310 68.2944 174.1794 88 S 4.6462 8.1045 116.5354 57.1382 66.5619 176.9760 89 V 4.3819 7.8245 121.1942 63.4707 31.9685 173.9971 90 Y 4.9542 8.7848 125.3054 56.5197 40.1398 174.5233 91 F 5.6190 8.9752 122.6501 56.1108 42.2123 173.9212 92 C 4.7567 9.9273 122.0560 55.1483 42.4196 172.1927 93 A 5.8666 8.3500 122.9067 51.2767 22.4650 175.1802 94 S 5.2096 8.3870 113.0385 57.1933 67.3818 172.9317 95 G 4.2545 8.8262 107.2656 45.6375 0.0000 171.8306 96 D 4.5956 8.5043 119.5403 53.4730 41.9194 175.2430 97 A 4.0346 8.0360 127.7606 51.8163 16.7424 175.9847 98 G 3.9415 8.7407 113.9198 42.7255 0.0000 170.4607 99 G 3.4587 8.6152 117.0306 44.9402 0.0000 174.4488 100 G 3.6420 7.4428 109.1499 45.6565 0.0000 172.6049 *104 Y 5.0883 7.4760 115.3335 57.1042 38.9878 174.6995 105 E 3.8642 8.6475 122.8298 56.4789 30.3262 175.9421 106 Q 4.3662 7.9311 123.8990 54.2325 31.3394 174.6484 107 Y 4.5384 8.3547 121.4101 56.3899 39.4999 175.5408 108 F 4.9434 8.7432 123.3311 57.1140 40.4462 175.8016 109 G 4.1599 8.9162 109.6329 44.4837 0.0000 172.3611 110 P 4.5021 0.0000 0.0000 66.3062 31.0083 176.9451 111 G 4.3066 7.2938 103.3069 43.6657 0.0000 172.1652 112 T 4.4500 7.3851 114.7122 62.9581 73.0843 173.1742 113 R 4.7254 8.4596 129.0276 54.8752 30.5250 174.7090 114 L 5.8920 8.4850 127.7388 52.7638 45.6729 174.9722 115 T 4.7600 8.2784 120.9062 62.3317 71.7068 174.8826 116 V 4.4725 8.3599 119.3265 60.8594 32.7157 176.3147 117 L 4.0043 7.8739 122.8395 55.2018 41.3164 174.1299 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 A 8.12 4.36 1.24 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 0.00 0.00 0.00 4 V 7.99 4.55 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 0.91 0.00 0.00 1.03 0.00 0.00 5 T 10.37 4.82 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 1.26 0.00 0.00 6 Q 8.59 4.77 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 7 S 9.31 4.13 0.00 3.96 3.71 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 8 P 0.00 4.18 0.00 2.05 2.02 0.00 3.77 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 2.14 2.09 0.00 9 R 8.58 4.27 0.00 1.89 1.94 0.00 3.41 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 N 7.99 5.18 0.00 2.61 2.72 0.00 0.00 6.63 7.61 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 11 K 8.91 4.68 0.00 1.75 1.55 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.44 7.81 12 V 8.29 4.87 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 0.94 0.00 0.00 0.93 0.00 0.00 13 A 8.82 4.86 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 14 V 8.09 4.09 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 1.02 0.00 0.00 0.91 0.00 0.00 15 T 8.30 4.15 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 1.19 0.00 0.00 16 G 7.37 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 17 E 8.14 4.13 0.00 2.07 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 2.25 2.22 0.00 18 K 8.37 4.69 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.35 7.81 19 V 8.26 3.96 1.92 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 0.82 0.00 0.00 0.83 0.00 0.00 20 T 7.95 4.73 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 1.16 0.00 0.00 21 L 8.51 4.31 0.00 0.98 1.43 0.50 0.21 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 22 S 8.52 5.04 0.00 4.00 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 23 C 8.69 5.61 0.00 3.00 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 24 N 9.54 6.22 0.00 2.85 2.62 0.00 0.00 6.60 7.15 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 25 Q 8.54 4.79 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 26 T 8.16 4.38 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 1.18 0.00 0.00 27 N 7.91 4.25 0.00 2.53 2.22 0.00 0.00 6.96 8.00 0.00 0.00 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 N 7.53 4.19 0.00 2.84 2.84 0.00 0.00 7.18 7.77 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 29 H 7.75 4.66 0.00 3.38 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.77 4.72 0.00 2.62 2.90 0.00 0.00 6.74 8.00 0.00 0.00 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 N 8.24 5.25 0.00 2.86 2.93 0.00 0.00 6.43 7.48 0.00 0.00 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 M 8.02 5.10 0.00 2.08 1.47 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 33 Y 9.01 5.26 0.00 2.92 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 34 W 8.56 5.23 0.00 3.57 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 35 Y 9.84 5.44 0.00 3.14 3.11 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 36 R 8.34 4.42 0.00 1.04 1.04 0.00 2.70 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 37 Q 8.63 5.18 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 38 D 8.41 4.65 0.00 2.56 2.45 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 39 T 8.68 3.82 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 40 G 8.68 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 41 H 7.50 4.92 0.00 3.17 3.28 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 6.59 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 43 L 8.64 4.78 0.00 1.66 1.72 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.25 4.79 0.00 1.79 1.83 0.00 3.09 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 45 L 8.64 3.65 0.00 1.54 1.60 0.61 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.66 4.29 2.01 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.73 0.73 0.00 0.00 47 Y 7.83 5.24 0.00 2.97 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 48 Y 8.96 5.45 0.00 2.57 2.82 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 0.00 0.00 0.00 49 S 8.37 4.54 0.00 3.30 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 50 Y 9.69 4.68 0.00 2.96 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 51 G 6.77 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 0.00 0.00 0.00 0.00 52 A 7.86 4.14 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 53 G 7.49 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 0.00 0.00 0.00 54 S 7.97 4.71 0.00 3.94 3.81 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 55 T 8.06 4.70 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 1.42 0.00 0.00 56 E 9.06 4.54 0.00 1.16 1.16 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 0.00 1.59 1.79 0.00 57 K 8.53 3.14 0.00 1.44 1.41 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.05 1.37 7.81 58 G 8.35 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 59 D 8.77 4.80 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.04 4.80 1.91 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 1.43 1.30 1.04 0.00 0.00 61 P 0.00 4.84 0.00 2.09 1.58 0.00 3.89 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 2.01 1.84 0.00 62 D 7.69 4.41 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.54 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 0.00 *65 Y 7.17 5.32 0.00 2.88 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 66 K 7.99 4.05 0.00 1.63 1.43 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.30 7.81 67 A 7.82 5.01 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.79 4.49 0.00 3.90 3.70 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 69 R 8.64 5.86 0.00 1.87 1.74 0.00 3.52 0.00 0.00 3.51 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.00 70 P 0.00 4.40 0.00 2.25 2.21 0.00 4.28 0.00 0.00 3.78 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 71 S 7.76 4.58 0.00 4.13 3.99 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 72 Q 8.90 3.95 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 73 E 8.20 4.52 0.00 2.34 2.18 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 2.44 2.25 0.00 74 N 8.21 5.52 0.00 2.77 2.83 0.00 0.00 6.36 7.58 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 75 F 9.11 5.45 0.00 2.95 2.88 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 76 S 9.11 5.36 0.00 3.97 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 77 L 8.30 4.73 0.00 0.27 0.39 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.39 4.89 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 1.20 0.00 0.00 79 L 8.60 4.49 0.00 1.46 1.39 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.74 4.04 0.00 1.88 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 2.23 2.22 0.00 81 S 7.59 4.58 0.00 3.71 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 82 A 8.61 4.31 1.30 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 0.00 0.00 0.00 83 T 8.16 4.84 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 1.22 0.00 0.00 84 P 0.00 4.37 0.00 2.03 2.14 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 85 S 8.00 4.34 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 86 Q 8.49 4.58 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 87 T 7.20 4.75 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 1.29 0.00 0.00 88 S 8.10 4.65 0.00 3.83 3.74 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 89 V 7.82 4.38 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 0.61 0.00 0.00 0.89 0.00 0.00 90 Y 8.78 4.95 0.00 2.88 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 91 F 8.98 5.62 0.00 3.10 3.06 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 92 C 9.93 4.76 0.00 1.60 2.77 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 93 A 8.35 5.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.39 5.21 0.00 4.02 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 95 G 8.83 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 0.00 0.00 0.00 0.00 96 D 8.50 4.60 0.00 2.12 1.54 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 97 A 8.04 4.03 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 98 G 8.74 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 0.00 0.00 0.00 99 G 8.62 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 0.00 100 G 7.44 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 0.00 0.00 0.00 *104 Y 7.48 5.09 0.00 2.99 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 0.00 105 E 8.65 3.86 0.00 1.78 1.70 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 1.47 1.82 0.00 106 Q 7.93 4.37 0.00 1.34 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.62 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 107 Y 8.35 4.54 0.00 2.87 2.83 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 0.00 108 F 8.74 4.94 0.00 2.85 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 0.00 109 G 8.92 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.50 0.00 2.29 2.29 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 111 G 7.29 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 0.00 112 T 7.39 4.45 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 113 R 8.46 4.73 0.00 1.84 1.98 0.00 3.04 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 114 L 8.49 5.89 0.00 1.69 1.47 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.28 4.76 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 0.00 116 V 8.36 4.47 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 0.79 0.00 0.00 0.99 0.00 0.00 117 L 7.87 4.00 0.00 1.80 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.