NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9754 8.1976 109.7357 45.6125 0.0000 174.0062 2 S 4.1403 8.5664 113.3061 60.6109 62.6454 174.3331 3 M 4.0894 8.3943 122.8006 58.6833 32.7489 178.8139 4 A 4.1260 7.9168 120.2881 55.1829 18.4131 179.0386 5 D 4.3321 7.8391 116.5433 57.6271 40.9256 178.7110 6 E 4.0986 8.2682 118.7840 59.3961 29.4748 179.2173 7 A 3.8497 7.7757 120.2993 54.7737 18.2392 179.2942 8 L 3.8236 7.9004 118.5952 58.3960 42.1870 178.7165 9 F 4.0254 7.6365 119.9308 61.3395 39.1971 176.9175 10 L 3.6775 7.8200 117.8718 57.7724 41.5695 179.4779 11 L 3.8900 7.9138 118.7754 57.6943 41.4823 179.5743 12 L 3.8582 7.8755 119.0791 57.9336 41.4896 178.9827 13 H 3.5916 7.9409 118.4077 59.1366 29.5851 176.7756 14 N 4.3406 8.2109 118.4468 56.5943 38.3060 177.1958 15 E 3.9147 7.9547 119.2252 59.5518 29.5373 179.2086 16 M 3.9640 8.0491 118.8951 58.3852 32.0432 179.0399 17 V 3.5499 7.7203 118.1966 65.9868 31.6494 177.7112 18 S 4.2058 8.3110 113.2656 61.5741 62.1822 176.4781 19 G 3.5919 8.3271 108.3856 47.7434 0.0000 175.7828 20 V 3.5449 7.7045 119.7204 66.0640 31.9564 177.5133 21 Y 4.0141 8.1125 116.4102 60.8663 37.4746 178.4118 22 K 4.2014 8.4530 119.1829 58.8815 32.2682 178.6420 23 S 4.4876 7.9520 112.6168 57.4892 63.5895 174.4628 24 A 4.1027 6.9390 124.5061 52.2765 18.7726 177.4989 25 E 4.2922 9.5033 122.2908 55.0844 30.6620 175.9408 26 Q 3.8724 8.3614 118.5528 58.1348 28.7455 178.4220 27 G 3.9963 9.0958 111.7253 45.3266 0.0000 174.3363 28 E 4.0471 8.3501 119.8317 58.7080 30.2502 179.5090 29 V 3.5338 7.8628 118.5422 66.0179 31.8977 177.8487 30 E 4.0316 8.2126 117.7783 59.1149 29.3720 177.5874 31 N 4.5197 8.0511 113.4553 52.9427 38.0647 175.9057 32 G 3.9406 8.1619 107.9608 45.9891 0.0000 175.5291 33 R 3.9271 7.8417 120.8564 59.1722 29.9294 178.3867 34 C 3.8974 7.8452 116.3919 62.5818 27.9705 175.9074 35 I 3.8082 7.6478 121.1889 64.6166 36.8045 178.4606 36 T 3.9248 8.0038 110.6809 64.5340 68.5164 176.6010 37 K 3.8871 8.3364 121.6931 59.4509 32.1529 179.2342 38 L 4.1705 7.9945 118.9798 57.8565 41.4963 179.3953 39 E 4.1901 8.6802 118.9708 59.5945 29.4138 179.2533 40 N 4.3785 8.6696 116.8345 56.5727 38.6134 177.3767 41 M 4.2539 8.4137 120.3235 58.3762 32.1055 179.0532 42 G 2.4239 8.0604 105.7765 47.2044 0.0000 175.1749 43 F 4.1716 8.4635 123.7984 61.3632 39.3431 177.5626 44 R 4.1677 8.1222 117.3785 59.2406 29.7795 179.3361 45 V 3.7179 7.9180 118.2742 65.8087 31.6469 178.1483 46 G 3.8034 8.4039 105.9202 48.0578 0.0000 175.4114 47 Q 3.9760 8.2261 121.1944 58.6300 28.5313 179.3421 48 G 3.6766 7.8455 105.1025 47.8356 0.0000 175.3298 49 L 4.2164 8.2632 121.6151 57.6596 41.7341 179.4069 50 I 4.0395 7.9587 119.6079 64.8715 36.9016 178.1044 51 E 4.2167 8.0342 117.1193 58.2448 29.2832 177.8457 52 R 4.4478 7.8950 116.7696 55.7284 30.6063 175.7948 53 F 4.7726 7.9856 117.2574 55.8190 40.6484 175.9948 54 T 4.1591 8.6035 121.2064 63.5661 68.9563 174.1390 55 K 4.7780 8.4829 124.7511 54.8830 34.7920 174.8139 56 D 4.7041 8.0531 119.5018 52.2941 42.3935 175.1131 57 T 3.9556 8.7220 115.0310 67.1255 68.5789 175.8236 58 A 4.0566 7.8853 123.2478 54.6639 18.8355 177.8832 59 R 3.7077 7.9084 115.2165 57.4560 30.3540 175.6571 60 F 4.0227 8.1700 119.7232 57.9419 37.7862 176.9205 61 K 3.7147 8.1884 119.4317 59.2290 31.0913 178.6568 62 D 4.7555 8.9815 118.0706 52.1500 43.0102 176.4429 63 E 3.9067 8.6395 119.3747 59.5065 29.4459 178.3832 64 L 4.0070 8.0276 119.7824 58.1574 42.2352 178.4322 65 D 4.3965 8.9274 119.4046 57.4120 40.7501 178.7842 66 I 3.8675 7.7640 120.1869 64.7992 37.1073 178.4007 67 M 3.8686 8.1467 119.6229 58.2735 31.7481 179.0344 68 K 3.9963 8.4988 119.1304 59.1728 32.1961 179.1123 69 F 4.1648 8.4209 121.0653 61.4514 39.4010 177.1056 70 I 3.4995 7.9491 119.3376 64.7754 36.8199 178.2544 71 C 4.0902 8.2015 117.2000 61.3007 27.8549 174.4494 72 K 4.4514 7.9792 117.3474 57.0114 34.1951 177.8949 73 D 4.3564 8.4727 122.2835 57.7389 41.5283 178.1149 74 F 3.9043 7.4218 120.9427 60.9768 39.4707 176.9808 75 W 4.2425 8.2597 127.8724 61.0267 30.4943 178.0321 76 T 4.2527 8.3662 117.2476 66.2450 67.6001 176.5538 77 T 3.7492 7.4347 116.6039 66.5436 68.5546 176.0910 78 V 3.0564 6.5123 116.5738 64.6355 32.0976 177.2389 79 F 4.5960 7.8555 115.1610 56.0551 39.3576 176.8622 80 K 3.9565 8.1286 116.8914 56.5668 30.2414 174.9474 81 K 4.7017 7.6523 116.6084 55.8781 35.6422 175.1468 82 Q 4.8064 8.3672 118.3153 54.5137 30.1060 175.9202 83 I 3.3836 7.8816 121.0890 62.3219 36.9949 176.4325 84 D 4.5689 8.7426 126.0689 56.9847 41.6178 176.7244 85 N 4.9339 7.8697 116.0134 51.9220 42.6893 172.7991 86 L 5.1226 8.5806 127.6257 53.3663 44.3766 175.4093 87 R 4.7994 9.0523 124.9149 54.7215 33.6938 174.5359 88 T 5.1558 8.4194 115.8396 59.4074 70.5480 173.2431 89 N 4.4336 8.6093 122.0264 52.8378 38.0474 175.2875 90 H 4.0038 8.1659 115.2288 56.7939 26.9110 174.8140 91 Q 4.5029 8.9353 117.5993 55.8391 29.3534 176.5770 92 G 4.0363 8.4141 105.8083 44.8599 0.0000 173.2331 93 I 4.9779 7.5825 120.6629 59.5332 40.0562 174.0603 94 Y 5.0529 9.2565 124.4745 56.0689 41.7225 174.6785 95 V 4.7643 9.0881 123.1479 61.0857 34.7894 174.0432 96 L 4.8990 9.1258 128.4576 53.1956 43.9389 174.9926 97 Q 4.8945 8.9004 126.7432 54.4246 31.1887 173.6147 98 D 5.2716 8.8469 126.6189 52.6173 42.6549 176.5861 99 N 4.5992 9.7206 125.3066 55.6927 38.9513 176.2147 100 K 4.5807 7.9785 116.5781 54.3118 33.2735 173.7494 101 F 4.6478 9.2190 123.6038 57.6995 39.6124 176.5473 102 R 4.0149 7.9930 127.0967 58.4804 30.1362 178.7265 103 L 4.0117 6.7820 116.1888 56.4298 41.8176 177.3931 104 L 4.4612 7.7396 117.0818 54.8574 42.2368 176.7926 105 T 4.4894 7.3220 110.2476 61.2667 68.8433 175.9407 *116 H 4.7282 8.0775 117.7523 56.4543 31.0017 175.1060 117 A 4.0708 7.7865 121.9409 55.2724 18.0447 179.1659 118 S 4.1803 8.2882 113.4380 61.9729 62.6980 177.0035 119 K 4.1841 7.7359 119.3374 59.2894 32.3989 177.8031 120 Y 4.6401 8.2059 116.4702 58.5204 38.5783 176.2209 121 L 4.9439 8.0082 119.4867 55.0811 43.2549 178.2120 122 A 4.1382 8.2520 120.9698 55.4245 18.3647 179.2045 123 F 4.4150 8.5629 118.4637 61.9142 39.5508 177.3038 124 T 4.2375 8.4920 115.0115 66.8189 68.3917 176.2012 125 C 4.4400 8.6250 118.9669 62.9308 28.1611 176.5258 126 G 3.6196 8.2129 107.1526 47.5938 0.0000 175.1181 127 L 4.0378 8.1714 123.5694 58.1473 41.9317 179.1982 128 I 3.7454 7.9251 119.1667 64.5140 37.0484 178.3654 129 R 4.0198 8.1508 119.5918 59.5338 29.9258 178.8109 130 G 2.5251 8.5030 106.0485 47.0015 0.0000 175.7875 131 G 3.3557 7.9447 108.0783 47.7031 0.0000 175.6941 132 L 3.9070 7.8178 122.2637 57.1570 41.6066 179.4877 133 S 4.4593 8.0840 114.6516 60.8961 62.1403 175.5172 134 N 4.5754 7.7452 115.9743 54.2666 38.4935 176.0961 135 L 4.3016 7.0066 118.4889 53.9731 42.0177 177.0888 136 G 3.8800 8.0089 107.0825 45.1617 0.0000 173.2444 137 I 4.4625 7.7895 121.1288 59.2607 39.6001 174.7659 138 K 4.7841 8.5829 126.4818 55.3768 33.7008 175.8301 139 S 5.2701 8.6006 118.1255 56.9700 66.4785 172.9802 140 I 4.6609 8.7567 114.2187 59.1062 40.3430 174.4822 141 V 5.0793 8.5335 124.4638 61.4568 33.7688 174.4285 142 T 4.9656 9.0033 117.2042 60.1211 72.2769 172.6012 143 A 5.0635 8.3196 122.4688 50.8757 22.4540 175.0812 144 E 4.5876 8.4340 116.1704 54.8239 33.6530 174.6807 145 V 4.0196 8.1775 121.5469 62.4649 31.5641 175.6897 146 S 4.1928 8.0804 124.2855 59.7368 63.8323 174.3237 147 S 4.3271 7.4729 120.1680 55.2046 64.1783 172.8967 148 M 4.0521 8.7330 127.1272 56.0254 32.2642 173.7489 149 P 4.9128 0.0000 0.0000 62.6972 33.1570 174.9176 150 A 4.7672 8.4170 123.7698 52.6796 19.5460 177.1221 151 C 5.1286 9.3533 118.5630 57.8203 33.1844 173.2296 152 K 4.8426 8.5799 120.8456 54.6000 35.2755 175.0205 153 F 4.9973 9.3830 124.1226 55.7958 41.3617 174.3414 154 Q 4.9383 9.0564 126.3974 54.6964 30.7675 174.1867 155 V 4.7709 8.8584 127.3382 61.6390 33.7553 174.1579 156 M 5.1408 9.0202 128.8486 53.5524 34.0210 175.4034 157 I 4.3653 8.7466 126.5010 61.1723 38.0415 176.0910 158 Q 4.1694 8.9311 129.5042 55.7506 29.5562 177.1023 *159 K 4.0961 8.5599 124.1974 54.8484 32.5005 172.6428 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 G 8.20 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 2 S 8.57 4.14 0.00 4.15 4.14 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 3 M 8.39 4.09 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 4 A 7.92 4.13 1.31 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 5 D 7.84 4.33 0.00 2.82 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 6 E 8.27 4.10 0.00 2.04 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 2.35 2.33 0.00 7 A 7.78 3.85 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.90 3.82 0.00 1.75 1.68 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.64 4.03 0.00 3.08 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 10 L 7.82 3.68 0.00 1.75 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.91 3.89 0.00 1.76 1.64 0.92 0.44 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 12 L 7.88 3.86 0.00 1.56 1.56 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.94 3.59 0.00 2.01 2.94 0.00 5.60 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 14 N 8.21 4.34 0.00 2.90 2.87 0.00 0.00 7.07 8.50 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 15 E 7.95 3.91 0.00 2.13 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 2.48 2.45 0.00 16 M 8.05 3.96 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 17 V 7.72 3.55 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 0.49 0.00 0.00 0.67 0.00 0.00 18 S 8.31 4.21 0.00 3.99 3.86 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 0.00 0.00 0.00 19 G 8.33 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 0.00 0.00 0.00 20 V 7.70 3.54 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 0.60 0.00 0.00 0.94 0.00 0.00 21 Y 8.11 4.01 0.00 3.13 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 22 K 8.45 4.20 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.71 7.81 23 S 7.95 4.49 0.00 4.04 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 24 A 6.94 4.10 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 25 E 9.50 4.29 0.00 2.03 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 2.29 2.40 0.00 26 Q 8.36 3.87 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 27 G 9.10 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 28 E 8.35 4.05 0.00 2.11 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 0.00 2.29 2.21 0.00 29 V 7.86 3.53 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 1.17 0.00 0.00 1.00 0.00 0.00 30 E 8.21 4.03 0.00 1.99 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 2.33 2.39 0.00 31 N 8.05 4.52 0.00 2.86 2.97 0.00 0.00 7.19 6.75 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 32 G 8.16 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 33 R 7.84 3.93 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 34 C 7.85 3.90 0.00 2.54 1.89 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 35 I 7.65 3.81 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.03 0.97 0.00 0.00 36 T 8.00 3.92 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 1.26 0.00 0.00 37 K 8.34 3.89 0.00 1.94 1.91 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 38 L 7.99 4.17 0.00 1.96 1.93 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.68 4.19 0.00 2.16 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 2.65 2.64 0.00 40 N 8.67 4.38 0.00 2.91 2.88 0.00 0.00 7.06 7.42 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 41 M 8.41 4.25 0.00 2.34 2.54 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.66 0.00 42 G 8.06 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 0.00 0.00 0.00 43 F 8.46 4.17 0.00 3.20 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 44 R 8.12 4.17 0.00 2.15 2.03 0.00 3.24 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 1.81 1.97 0.00 45 V 7.92 3.72 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 1.17 0.00 0.00 1.19 0.00 0.00 46 G 8.40 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.23 3.98 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.27 1.88 0.00 48 G 7.85 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 49 L 8.26 4.22 0.00 2.08 2.00 0.51 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.96 4.04 2.05 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 1.85 1.28 0.78 0.00 0.00 51 E 8.03 4.22 0.00 2.06 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 2.61 2.50 0.00 52 R 7.90 4.45 0.00 1.80 1.74 0.00 3.18 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 53 F 7.99 4.77 0.00 3.40 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 54 T 8.60 4.16 4.32 0.00 0.00 0.00 0.00 0.00 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 55 K 8.48 4.78 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.66 1.47 7.81 56 D 8.05 4.70 0.00 2.70 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 57 T 8.72 3.96 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 1.20 0.00 0.00 58 A 7.89 4.06 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 59 R 7.91 3.71 0.00 1.49 0.87 0.00 3.04 0.00 0.00 2.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 60 F 8.17 4.02 0.00 3.13 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 61 K 8.19 3.71 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 62 D 8.98 4.76 0.00 3.02 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 63 E 8.64 3.91 0.00 2.11 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 0.00 2.43 2.41 0.00 64 L 8.03 4.01 0.00 1.94 1.87 1.09 1.36 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 65 D 8.93 4.40 0.00 2.89 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 66 I 7.76 3.87 2.00 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 1.55 0.76 0.80 0.00 0.00 67 M 8.15 3.87 0.00 1.53 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.30 0.00 68 K 8.50 4.00 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 69 F 8.42 4.16 0.00 3.17 3.33 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 70 I 7.95 3.50 1.92 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.96 0.93 0.00 0.00 71 C 8.20 4.09 0.00 3.11 2.86 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 0.00 0.00 0.00 72 K 7.98 4.45 0.00 1.87 1.59 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.49 7.81 73 D 8.47 4.36 0.00 2.27 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.42 3.90 0.00 2.17 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 75 W 8.26 4.24 0.00 3.81 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 76 T 8.37 4.25 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 1.25 0.00 0.00 77 T 7.43 3.75 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 1.06 0.00 0.00 78 V 6.51 3.06 0.67 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 -1.63 0.00 0.00 0.12 0.00 0.00 79 F 7.86 4.60 0.00 2.89 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 80 K 8.13 3.96 0.00 1.95 1.93 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 81 K 7.65 4.70 0.00 2.13 1.97 0.00 1.40 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.54 1.68 7.81 82 Q 8.37 4.81 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 83 I 7.88 3.38 1.55 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.07 0.77 0.00 0.00 84 D 8.74 4.57 0.00 2.70 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 85 N 7.87 4.93 0.00 2.69 2.56 0.00 0.00 6.66 6.66 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 86 L 8.58 5.12 0.00 1.60 1.51 1.04 0.90 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 87 R 9.05 4.80 0.00 1.73 1.72 0.00 3.10 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 88 T 8.42 5.16 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 0.88 0.00 0.00 89 N 8.61 4.43 0.00 2.78 2.82 0.00 0.00 6.12 7.90 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 90 H 8.17 4.00 0.00 3.25 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.94 4.50 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 92 G 8.41 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 0.00 0.00 0.00 93 I 7.58 4.98 1.77 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 1.33 1.36 0.89 0.00 0.00 94 Y 9.26 5.05 0.00 2.88 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 95 V 9.09 4.76 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 1.05 0.00 0.00 0.93 0.00 0.00 96 L 9.13 4.90 0.00 1.72 1.28 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.90 4.89 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 98 D 8.85 5.27 0.00 2.89 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 99 N 9.72 4.60 0.00 2.84 2.89 0.00 0.00 6.82 7.18 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 0.00 100 K 7.98 4.58 0.00 1.78 1.73 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 101 F 9.22 4.65 0.00 3.08 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 0.00 102 R 7.99 4.01 0.00 1.89 1.97 0.00 3.75 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 103 L 6.78 4.01 0.00 1.55 1.76 1.01 0.80 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 0.00 104 L 7.74 4.46 0.00 1.93 1.75 1.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.32 4.49 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 1.26 0.00 0.00 *116 H 8.08 4.73 0.00 3.38 3.69 0.00 5.47 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.79 4.07 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 0.00 118 S 8.29 4.18 0.00 3.92 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 0.00 119 K 7.74 4.18 0.00 1.77 1.84 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.78 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.43 0.44 7.81 120 Y 8.21 4.64 0.00 3.24 3.24 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 0.00 121 L 8.01 4.94 0.00 1.81 1.80 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.25 4.14 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.56 4.41 0.00 3.26 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.24 4.86 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 0.00 0.00 1.25 0.00 0.00 125 C 8.63 4.44 0.00 3.34 3.15 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 0.00 126 G 8.21 3.62 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 0.00 0.00 0.00 127 L 8.17 4.04 0.00 1.62 1.98 0.78 0.88 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 0.00 128 I 7.93 3.75 2.11 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 1.69 0.81 0.93 0.00 0.00 129 R 8.15 4.02 0.00 2.11 2.30 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.80 0.00 130 G 8.50 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.94 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.91 0.00 1.76 1.65 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.08 4.46 0.00 4.08 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 0.00 134 N 7.75 4.58 0.00 2.60 2.86 0.00 0.00 7.02 7.88 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 0.00 135 L 7.01 4.30 0.00 1.52 1.32 0.30 -0.23 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 0.00 136 G 8.01 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 0.00 0.00 0.00 137 I 7.79 4.46 1.92 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 1.20 1.42 0.90 0.00 0.00 138 K 8.58 4.78 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.44 7.81 139 S 8.60 5.27 0.00 3.86 3.80 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 0.00 0.00 0.00 140 I 8.76 4.66 1.91 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 1.26 1.56 0.94 0.00 0.00 141 V 8.53 5.08 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 1.05 0.00 0.00 1.01 0.00 0.00 142 T 9.00 4.97 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 1.24 0.00 0.00 143 A 8.32 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.43 4.59 0.00 1.95 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 0.00 2.08 2.14 0.00 145 V 8.18 4.02 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 0.87 0.00 0.00 0.91 0.00 0.00 146 S 8.08 4.19 0.00 4.01 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 0.00 147 S 7.47 4.33 0.00 3.80 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 0.00 148 M 8.73 4.05 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 149 P 0.00 4.91 0.00 2.22 2.27 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 150 A 8.42 4.77 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.35 5.13 0.00 2.53 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 0.00 0.00 0.00 0.00 152 K 8.58 4.84 0.00 1.51 1.57 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.29 7.81 153 F 9.38 5.00 0.00 2.92 3.01 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 0.00 154 Q 9.06 4.94 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 155 V 8.86 4.77 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 1.01 0.00 0.00 0.98 0.00 0.00 156 M 9.02 5.14 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 157 I 8.75 4.37 1.95 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 1.63 0.97 1.00 0.00 0.00 158 Q 8.93 4.17 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 *159 K 8.56 4.10 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.11 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.