NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4066 8.1927 115.4136 57.7787 65.1731 173.0932 1 M 3.7885 7.8548 122.1230 56.1899 32.4633 174.8494 2 F 4.1693 9.0930 124.7018 58.1126 38.0685 174.9460 3 K 4.3687 7.5115 118.6957 56.4685 32.5955 176.7781 4 L 4.6957 8.7420 120.8593 54.5101 42.4563 176.5993 5 T 4.1509 7.9908 115.8974 65.4724 68.3979 174.8884 6 G 3.9934 8.8281 115.1525 45.3784 0.0000 173.6669 7 R 4.3406 7.8773 119.7945 56.0675 31.5702 175.6792 8 K 5.0172 9.3732 122.9128 55.1850 33.9792 175.4647 9 A 5.2791 9.2438 126.9656 50.0163 22.4488 174.1707 10 L 4.9813 9.1575 125.1628 53.3932 44.3402 175.1336 11 V 4.8234 9.0367 127.5098 61.3513 33.3897 175.0303 12 T 4.5058 8.7473 118.9234 60.9165 70.5182 174.3003 13 G 3.9246 8.7363 107.8823 46.8353 0.0000 174.6274 14 A 4.2232 8.4849 120.3566 52.6911 18.8521 179.3374 15 T 4.0385 7.8025 110.9828 64.2467 68.0456 173.6943 16 G 4.0791 7.9431 108.2934 45.4846 0.0000 174.0276 17 G 3.7505 8.2960 109.1845 46.7479 0.0000 176.3900 18 I 3.7807 8.4346 123.1033 63.8276 36.7482 177.7207 19 G 3.8228 7.9170 107.5174 47.2777 0.0000 175.1570 20 E 3.9507 8.0052 121.4375 58.8136 29.6449 178.7045 21 A 3.9273 7.8621 120.6019 55.0878 18.3412 179.7672 22 I 3.4256 7.9364 118.3068 64.2873 37.1856 178.2764 23 A 3.9354 7.9799 121.8214 55.5128 18.2111 179.9898 24 R 3.9508 8.1630 116.4664 59.3780 30.0973 178.9627 25 C 4.2539 8.3073 118.5730 62.5457 31.6691 175.3794 26 F 4.3439 8.8096 119.9377 61.1432 38.5194 177.2008 27 H 4.2123 8.6600 117.3791 59.3248 29.4847 177.1148 28 A 4.1341 8.1116 121.3897 54.9273 18.4371 178.0649 29 Q 4.2480 8.0865 114.7172 56.1294 29.1321 177.2653 30 G 3.8656 8.2678 107.2166 44.8273 0.0000 173.4604 31 A 4.7255 7.6785 121.2066 51.7616 19.4323 177.8685 32 I 4.2521 8.8711 122.7535 60.8173 38.5105 175.3117 33 V 4.9382 8.6209 121.6060 59.5538 34.3628 175.0952 34 G 4.5976 9.7677 113.5346 44.7620 0.0000 172.2303 35 L 5.1617 9.2668 126.2096 53.4479 43.9078 175.0584 36 H 5.9127 8.4075 124.5000 54.2492 32.3336 173.8596 37 G 4.1108 7.6054 109.1433 46.8304 0.0000 173.2231 38 T 4.4017 8.7441 108.0817 61.9215 70.1185 175.6359 39 R 4.3571 7.5074 122.0856 54.4863 29.9090 175.8702 40 E 3.9260 8.4271 125.1557 59.0952 29.8276 178.0554 41 D 4.3137 7.9732 118.5751 57.2714 41.0408 178.6217 42 K 3.9845 7.9758 118.5020 59.3856 32.0043 179.1943 43 L 3.9885 8.0673 119.2928 57.8667 41.5457 179.8136 44 K 3.9844 8.0812 118.3781 59.1410 31.9441 179.2636 45 E 3.9456 8.2478 119.0319 59.5212 29.4312 179.5534 46 I 3.6576 7.8718 119.4108 64.1859 37.1061 178.1960 47 A 3.9418 8.2705 121.7563 55.2436 17.9902 179.4845 48 A 3.8747 8.1136 118.1288 55.3650 18.5173 178.9685 49 D 4.3948 7.8302 115.3819 57.3658 41.3354 178.3120 50 L 3.9920 7.6483 118.4738 57.7137 41.8362 178.8456 51 G 3.9545 9.6728 104.5235 45.0590 0.0000 173.1395 52 K 4.3472 7.6955 119.4362 56.4372 35.6771 175.2853 53 D 4.3577 8.8063 125.3035 55.5655 38.0122 172.5641 54 V 4.8932 7.1338 116.6127 61.0774 35.3018 175.1872 55 F 4.7776 9.4535 125.0082 55.5492 42.6770 174.2709 56 V 4.7700 7.7664 120.2712 61.1354 34.4416 174.6977 57 F 5.0385 9.3315 125.4698 55.8758 43.0530 173.5029 58 S 5.3110 8.8850 117.2117 56.1034 64.1779 172.8919 59 A 4.4254 8.1563 123.9803 51.4204 22.0428 175.9884 60 N 4.5366 8.4078 120.7197 52.5768 38.0105 175.8861 61 L 4.2030 8.3369 125.5492 56.4126 41.8870 178.4470 62 S 4.2829 8.4008 114.3760 59.1739 63.4181 173.8633 63 D 4.8135 7.9534 121.0703 51.9646 42.7966 175.9892 64 R 3.8454 8.5586 127.3174 59.7323 30.1546 178.4333 65 K 3.9846 7.9683 117.6185 59.4675 32.0975 179.1138 66 S 4.1280 7.9756 112.8123 61.3348 62.2210 176.4251 67 I 3.6792 7.7088 122.6590 64.2005 36.8676 178.3965 68 K 3.9229 7.9607 119.3330 59.6458 31.7883 179.3962 69 Q 3.9798 8.0827 118.2629 58.7143 28.5533 178.5291 70 L 3.8160 7.8971 121.1489 57.9732 42.1256 178.7625 71 A 3.8212 7.9364 120.6388 55.1088 18.3311 179.1450 72 E 3.8008 8.1440 117.6027 59.4993 29.6881 179.2175 73 V 3.5777 7.9340 118.1238 65.8417 31.5966 177.8592 74 A 3.3760 7.9342 120.8555 54.9422 18.2654 179.0786 75 E 3.7700 8.0295 117.8870 59.3620 29.4690 179.1682 76 R 3.8555 7.9783 118.5138 59.5739 30.0586 178.3742 77 E 4.0782 8.2672 117.2172 59.7388 29.5498 178.2048 78 M 3.5896 7.8829 115.5710 55.1158 32.5201 175.6991 79 E 3.5955 8.5737 117.6067 57.3836 27.3243 175.7783 80 G 4.2082 8.3112 105.7639 46.9868 0.0000 173.2230 81 I 4.3857 7.9229 125.7704 59.9503 38.8845 175.3545 82 D 4.8003 9.0513 125.3577 55.6357 42.7973 176.6570 83 I 4.9637 7.6787 118.7065 59.2731 41.0447 174.1965 84 L 5.0437 9.0269 129.6810 53.3007 44.4542 175.0083 85 V 4.7513 8.8278 127.2739 61.3696 33.5223 174.4050 86 N 4.8466 8.9498 127.5288 52.5061 39.3121 174.1381 87 N 4.9103 9.0115 124.6702 51.5394 37.8858 173.4560 *100 Q 4.6813 8.0035 122.3923 55.6413 31.7227 176.8304 101 D 4.4731 8.0448 117.4852 57.0976 41.0779 178.0441 102 Q 4.0026 8.1361 119.6047 59.3464 28.8254 178.2152 103 D 4.3287 7.9766 119.3842 56.9763 40.9537 177.9710 104 W 4.0746 8.0901 128.4565 60.8566 30.6231 177.6423 105 D 4.3753 8.5101 118.5473 57.5452 40.2919 178.7310 106 D 4.2693 8.1219 119.3306 57.2576 40.7449 179.0511 107 V 3.2761 7.5505 118.7187 65.8293 31.3661 178.1362 108 L 3.6382 7.5457 118.5897 57.4177 41.4622 179.3430 109 A 3.8476 8.1671 121.1769 55.0196 18.1323 179.5534 110 V 3.7405 7.4971 114.8682 64.6054 32.0050 176.9525 111 N 4.7082 8.1432 114.0651 53.2124 39.2069 174.6186 112 L 4.4673 7.2964 120.5506 56.0755 44.6223 178.2222 113 T 3.7960 8.4499 116.5639 65.7733 68.2454 176.6498 114 A 3.8579 7.7932 122.0798 54.9809 18.4371 179.4756 115 A 4.0343 7.7962 119.0574 55.3836 18.1100 179.8734 116 S 3.4342 7.5898 112.7065 61.5318 62.9028 176.9326 117 T 3.8297 7.8552 119.3624 66.3079 68.3357 176.5903 118 L 3.9416 7.9432 122.2626 58.2923 42.0683 179.1579 119 T 3.8799 8.0548 115.7983 66.7685 68.2242 176.8802 120 R 3.9503 7.8983 118.7198 59.1683 30.0969 178.4911 121 E 4.0622 7.8000 117.9756 59.0863 29.7371 178.3591 122 L 4.2314 7.8747 118.4992 56.6879 41.9039 179.1226 123 I 3.7096 7.7755 113.3562 63.8058 37.3532 177.8092 124 H 4.1615 8.0360 118.2021 59.1430 28.6994 177.5195 125 S 4.2339 8.0284 115.1773 61.5062 63.1994 176.1030 126 M 4.0980 7.7958 122.1593 58.5577 31.7843 178.6056 127 M 4.1074 8.6653 119.1569 58.4667 31.8841 179.0627 128 R 4.0128 7.7462 116.9923 58.7517 30.3182 178.3392 129 R 4.2732 7.7705 114.8412 55.2154 31.1370 176.2463 130 R 3.9116 7.6240 116.6325 55.1174 28.3645 175.8829 131 Y 4.7106 7.3967 114.4922 56.8921 42.7966 174.0894 132 G 3.9083 7.1819 111.9053 45.8590 0.0000 172.2477 133 R 5.0421 8.3802 119.4459 54.1453 34.2156 174.4390 134 I 4.8669 8.9061 124.7791 59.5174 40.3970 174.5912 135 I 4.9184 9.0068 127.9910 59.6578 40.5332 174.0997 136 N 5.2939 9.2459 125.7392 51.7244 40.5881 174.1265 137 I 4.8117 8.7526 126.1423 60.0783 38.5741 176.1686 138 T 4.4712 8.6370 118.5446 60.3574 70.7661 174.5509 139 S 4.5105 8.4412 116.3677 57.9890 63.7645 174.4908 140 I 3.9699 8.0975 122.4754 63.6845 37.3564 177.1590 *149 Q 4.1665 7.7632 119.2897 56.4151 31.0222 175.8184 150 T 4.1984 8.4330 122.4755 66.1652 68.8460 177.2699 151 N 4.0400 8.2150 118.2287 56.5145 38.5826 176.8162 152 Y 3.8634 7.8992 117.5375 61.2092 38.0203 178.3591 153 C 4.1579 8.2460 117.4061 62.5925 28.1434 175.8898 154 A 3.9858 8.0061 122.1930 55.1679 17.9495 179.6048 155 A 3.7246 7.7400 119.1549 54.9570 18.4505 179.7269 156 K 3.8127 8.2552 118.1387 59.7631 32.3081 178.9085 157 A 4.1478 8.5925 121.5252 55.0394 18.2254 179.8091 158 G 3.5538 8.3989 104.6242 47.8543 0.0000 175.7182 159 L 4.0461 8.1371 122.8444 57.9412 42.1189 179.1676 160 I 3.8298 7.9889 119.9715 64.3366 37.0696 178.7237 161 G 3.6024 8.3659 106.7408 47.5327 0.0000 175.3179 162 F 4.1682 8.8904 123.5266 61.3885 39.3616 177.4077 163 S 3.8639 8.4045 114.7323 61.5217 62.1873 176.9677 164 K 3.8851 8.1198 120.8465 59.3191 31.7056 179.3872 165 A 3.9139 7.9129 121.0598 55.0078 18.4224 179.4540 166 L 3.6646 7.7467 118.8803 58.0114 41.8592 178.7945 167 A 3.8984 7.9292 120.8063 55.4355 17.9955 179.6814 168 Q 3.8772 7.4414 114.7758 58.9792 28.8459 178.1742 169 E 4.1078 7.6903 119.2889 58.3389 29.9696 177.4523 170 I 4.3865 7.3991 108.9856 60.2185 38.4897 176.8425 171 A 3.9536 7.8388 126.8759 55.6410 18.1878 180.3573 172 S 4.2961 8.0232 108.3566 60.4352 63.2352 174.8728 173 R 4.4625 8.0470 120.3828 55.4805 30.0213 175.9692 174 N 4.1979 7.9638 114.1455 54.4886 36.7294 173.4966 175 I 5.0308 7.9809 117.6459 59.1403 39.0544 175.7054 176 T 4.4942 8.2240 117.1725 60.2030 71.6305 173.8402 177 V 4.8324 8.6103 122.9944 61.4882 34.4913 174.0421 178 N 5.5353 9.3266 124.3976 51.8728 43.6723 173.0970 179 C 5.4276 9.0966 117.3642 58.1118 32.4291 173.2646 180 I 4.8549 8.8570 122.2882 59.5934 40.1377 174.5319 181 A 5.2183 8.9889 129.8129 48.8129 19.6072 173.8379 182 P 4.6476 0.0000 0.0000 62.8406 32.6285 176.4420 183 G 4.3847 8.5358 117.1192 46.5651 0.0000 174.4771 184 F 4.4957 8.8514 123.8531 57.3776 40.0348 174.4261 185 I 4.9479 8.2855 124.4199 59.0125 39.8277 175.3085 186 K 3.9253 8.8477 131.0875 57.0966 32.2271 177.0303 *198 K 4.2057 8.4644 131.9521 55.5606 33.0355 172.3766 199 E 4.4512 8.4761 106.9096 57.7818 29.4265 173.9698 200 A 4.2464 7.6825 122.9908 54.2297 18.9518 179.3669 201 I 3.1533 7.4032 118.6736 64.4785 37.0840 177.8678 202 M 3.8681 7.8841 118.1832 58.5137 31.7796 177.8905 203 A 3.9959 7.2948 119.8269 54.9685 18.5811 178.9801 204 M 4.3990 8.0092 116.2318 55.9576 32.3206 176.2346 205 I 4.4010 7.0944 120.9567 58.7216 38.2557 174.3291 206 P 4.2123 0.0000 0.0000 65.8937 30.1576 177.8788 207 M 4.0827 8.0101 116.6819 56.3699 32.2667 176.8014 208 K 4.1955 8.3788 116.8256 57.0578 30.1192 175.3720 209 R 4.6951 7.2613 113.0710 54.7222 32.4815 174.4564 210 M 4.4233 8.3954 118.7028 55.0616 33.2351 176.3543 211 G 4.1065 9.0658 109.2239 45.9698 0.0000 172.5093 212 I 4.7901 8.4569 113.4552 58.5644 40.4076 177.1850 213 G 3.5965 8.6972 110.0112 47.8846 0.0000 175.7233 214 E 3.6253 8.0009 119.2427 59.1245 29.2277 179.0550 215 E 3.9209 7.9313 119.6149 59.2639 29.4757 179.2550 216 I 3.6816 7.6167 119.1715 64.2091 37.1281 178.0176 217 A 3.9215 7.6828 121.5980 55.2842 18.1245 179.7159 218 F 4.4660 8.0095 116.1530 60.8041 38.9952 177.8016 219 A 4.1695 8.0229 120.5915 55.4529 18.0692 179.8540 220 T 3.9562 8.1749 114.4324 66.7170 68.3061 176.9523 221 V 3.7353 8.1508 119.3816 66.2344 31.8633 177.0284 222 Y 4.4556 8.3044 119.1676 61.0269 38.4454 178.2864 223 L 3.6605 7.8822 118.0584 57.5194 41.7633 179.0977 224 A 4.1309 8.1918 120.2349 53.5191 18.8638 178.1049 225 S 4.3850 7.1239 111.8787 57.8805 63.7413 175.0849 226 D 4.4869 8.7410 121.1083 57.7335 40.6397 178.5602 227 E 4.1412 7.7611 115.6838 57.8502 29.4942 177.0518 228 A 4.6923 7.6712 122.2701 51.5656 19.4784 178.6129 229 A 3.9647 7.7328 125.0414 56.2890 18.5700 178.9551 230 Y 4.4434 7.9946 114.1693 57.2850 39.1691 174.5796 231 L 4.4738 7.4740 121.4783 54.4216 42.2812 175.1942 232 T 4.6005 7.8066 119.4260 61.6861 70.3788 173.2541 233 G 3.8372 8.8814 113.8317 46.3078 0.0000 173.4005 234 Q 4.7301 8.2619 118.1326 54.1866 31.9590 174.7065 235 T 4.9479 8.2653 117.0839 61.8538 71.3556 173.7171 236 L 4.3306 9.1217 127.9083 54.1915 42.9588 176.0680 237 H 5.0067 8.8643 122.7674 55.0743 29.2211 175.3757 238 I 4.4202 8.4107 126.6382 58.9933 37.0229 176.4439 239 N 5.0425 8.2192 121.0561 52.5624 38.5550 175.8666 240 G 3.8170 9.5271 105.2667 47.1488 0.0000 175.4143 241 G 4.0727 8.3767 105.6482 45.0526 0.0000 174.3853 242 M 4.0851 7.5730 118.5239 54.9684 32.4344 176.4741 243 A 4.1587 8.5771 124.8867 52.5361 18.5397 177.1184 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 0 S 8.19 4.41 0.00 3.99 4.17 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 0.00 0.00 0.00 0.00 1 M 7.85 3.79 0.00 2.09 1.92 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 2.13 1.23 0.00 2 F 9.09 4.17 0.00 3.29 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 3 K 7.51 4.37 0.00 1.90 1.74 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.57 7.81 4 L 8.74 4.70 0.00 1.65 1.45 0.31 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.99 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 1.20 0.00 0.00 6 G 8.83 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 0.00 0.00 0.00 7 R 7.88 4.34 0.00 1.82 1.88 0.00 3.34 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 8 K 9.37 5.02 0.00 1.82 1.72 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.61 1.44 7.81 9 A 9.24 5.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.98 0.00 1.72 1.53 1.00 0.46 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 11 V 9.04 4.82 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 0.91 0.00 0.00 0.83 0.00 0.00 12 T 8.75 4.51 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 1.15 0.00 0.00 13 G 8.74 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 0.00 0.00 0.00 14 A 8.48 4.22 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 15 T 7.80 4.04 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 7.94 4.08 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 0.00 0.00 0.00 17 G 8.30 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.43 3.78 1.82 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 1.51 0.61 0.87 0.00 0.00 19 G 7.92 3.82 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 0.00 0.00 0.00 20 E 8.01 3.95 0.00 2.16 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 2.28 2.30 0.00 21 A 7.86 3.93 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 22 I 7.94 3.43 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.06 0.00 0.00 23 A 7.98 3.94 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.16 3.95 0.00 1.87 2.02 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 25 C 8.31 4.25 0.00 3.22 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 26 F 8.81 4.34 0.00 3.31 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 27 H 8.66 4.21 0.00 3.36 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.11 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 4.25 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.40 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 30 G 8.27 3.87 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 0.00 0.00 0.00 31 A 7.68 4.73 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 32 I 8.87 4.25 1.97 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 1.32 0.79 1.24 0.00 0.00 33 V 8.62 4.94 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 1.01 0.00 0.00 1.07 0.00 0.00 34 G 9.77 4.60 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 0.00 0.00 0.00 35 L 9.27 5.16 0.00 1.58 1.63 0.93 0.82 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 36 H 8.41 5.91 0.00 3.32 3.33 0.00 5.67 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 G 7.61 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 38 T 8.74 4.40 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 1.22 0.00 0.00 39 R 7.51 4.36 0.00 1.85 1.91 0.00 3.12 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 E 8.43 3.93 0.00 2.02 1.93 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 2.36 2.38 0.00 41 D 7.97 4.31 0.00 2.79 2.68 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 42 K 7.98 3.98 0.00 1.86 1.84 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 43 L 8.07 3.99 0.00 1.84 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.08 3.98 0.00 1.79 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.54 7.81 45 E 8.25 3.95 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 2.32 2.47 0.00 46 I 7.87 3.66 1.99 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 1.44 1.02 0.90 0.00 0.00 47 A 8.27 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 48 A 8.11 3.87 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 49 D 7.83 4.39 0.00 2.85 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 50 L 7.65 3.99 0.00 1.75 1.44 0.86 0.73 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 51 G 9.67 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 52 K 7.70 4.35 0.00 1.71 1.74 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.47 7.81 53 D 8.81 4.36 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 4.89 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 0.87 0.00 0.00 0.99 0.00 0.00 55 F 9.45 4.78 0.00 2.90 2.43 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 0.00 56 V 7.77 4.77 1.93 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 0.75 0.00 0.00 0.86 0.00 0.00 57 F 9.33 5.04 0.00 3.11 2.91 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 58 S 8.89 5.31 0.00 4.10 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 59 A 8.16 4.43 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 60 N 8.41 4.54 0.00 2.77 2.75 0.00 0.00 7.21 6.65 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 61 L 8.34 4.20 0.00 1.66 1.66 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.40 4.28 0.00 3.99 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 63 D 7.95 4.81 0.00 2.72 2.63 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 64 R 8.56 3.85 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 65 K 7.97 3.98 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 66 S 7.98 4.13 0.00 4.07 4.17 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 0.00 0.00 0.00 0.00 67 I 7.71 3.68 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.86 0.00 0.00 68 K 7.96 3.92 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 69 Q 8.08 3.98 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 70 L 7.90 3.82 0.00 1.74 1.75 0.74 1.13 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 71 A 7.94 3.82 1.32 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 0.00 0.00 0.00 72 E 8.14 3.80 0.00 2.11 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 0.00 2.29 2.45 0.00 73 V 7.93 3.58 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 1.24 0.00 0.00 1.00 0.00 0.00 74 A 7.93 3.38 0.55 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 0.00 0.00 75 E 8.03 3.77 0.00 2.05 2.17 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 0.00 2.28 2.34 0.00 76 R 7.98 3.86 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 77 E 8.27 4.08 0.00 2.18 2.32 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 2.51 2.60 0.00 78 M 7.88 3.59 0.00 1.69 1.97 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 87 N 9.01 4.91 0.00 2.57 2.85 0.00 0.00 7.15 6.97 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 *100 Q 8.00 4.68 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 101 D 8.04 4.47 0.00 2.78 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 0.00 102 Q 8.14 4.00 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 103 D 7.98 4.33 0.00 2.98 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 0.00 104 W 8.09 4.07 0.00 3.50 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 0.00 105 D 8.51 4.38 0.00 2.77 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 0.00 106 D 8.12 4.27 0.00 2.64 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 0.00 107 V 7.55 3.28 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 0.22 0.00 0.00 0.39 0.00 0.00 108 L 7.55 3.64 0.00 1.37 1.44 0.59 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.17 3.85 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 0.00 110 V 7.50 3.74 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 0.85 0.00 0.00 0.92 0.00 0.00 111 N 8.14 4.71 0.00 2.70 2.76 0.00 0.00 6.70 7.45 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 0.00 112 L 7.30 4.47 0.00 1.51 1.55 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.45 3.80 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 1.12 0.00 0.00 114 A 7.79 3.86 1.32 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 0.00 0.00 0.00 115 A 7.80 4.03 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 0.00 116 S 7.59 3.43 0.00 3.18 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 0.00 117 T 7.86 3.83 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 1.16 0.00 0.00 118 L 7.94 3.94 0.00 1.76 1.60 0.83 0.72 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 0.00 119 T 8.05 3.88 4.45 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 1.31 0.00 0.00 120 R 7.90 3.95 0.00 2.02 2.00 0.00 3.37 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 121 E 7.80 4.06 0.00 2.11 1.93 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 2.30 2.37 0.00 122 L 7.87 4.23 0.00 1.73 1.65 0.86 0.61 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 0.00 123 I 7.78 3.71 1.82 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 1.69 0.63 0.93 0.00 0.00 124 H 8.04 4.16 0.00 3.19 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.03 4.23 0.00 4.07 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 0.00 126 M 7.80 4.10 0.00 2.12 2.23 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 2.72 2.58 0.00 127 M 8.67 4.11 0.00 2.01 2.33 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 2.69 2.57 0.00 128 R 7.75 4.01 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 129 R 7.77 4.27 0.00 1.88 2.02 0.00 3.33 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 130 R 7.62 3.91 0.00 1.98 1.99 0.00 3.18 0.00 0.00 3.02 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 131 Y 7.40 4.71 0.00 2.95 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 0.00 132 G 7.18 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 0.00 133 R 8.38 5.04 0.00 1.62 1.72 0.00 3.28 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.81 0.00 134 I 8.91 4.87 1.84 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 1.17 1.06 0.94 0.00 0.00 135 I 9.01 4.92 1.93 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 1.26 0.89 0.94 0.00 0.00 136 N 9.25 5.29 0.00 2.63 2.75 0.00 0.00 6.50 6.93 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 0.00 137 I 8.75 4.81 1.93 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 1.38 0.89 0.88 0.00 0.00 138 T 8.64 4.47 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 0.00 139 S 8.44 4.51 0.00 4.00 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 0.00 140 I 8.10 3.97 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.12 0.66 0.00 0.00 *149 Q 7.76 4.17 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.74 0.00 150 T 8.43 4.20 4.37 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 1.37 0.00 0.00 151 N 8.22 4.04 0.00 2.51 2.44 0.00 0.00 7.18 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 0.00 152 Y 7.90 3.86 0.00 3.13 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 0.00 153 C 8.25 4.16 0.00 3.05 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 A 8.01 3.99 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 0.00 155 A 7.74 3.72 1.15 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 0.00 156 K 8.26 3.81 0.00 1.89 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 157 A 8.59 4.15 1.39 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 0.00 158 G 8.40 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 0.00 0.00 0.00 159 L 8.14 4.05 0.00 1.88 1.86 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.99 3.83 2.02 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 1.46 0.78 0.92 0.00 0.00 161 G 8.37 3.60 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 0.00 0.00 0.00 162 F 8.89 4.17 0.00 3.12 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 0.00 163 S 8.40 3.86 0.00 4.03 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 0.00 164 K 8.12 3.89 0.00 1.77 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.62 7.81 165 A 7.91 3.91 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 0.00 166 L 7.75 3.66 0.00 1.05 1.19 0.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.93 3.90 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 0.00 168 Q 7.44 3.88 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 169 E 7.69 4.11 0.00 2.06 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 2.29 2.28 0.00 170 I 7.40 4.39 1.82 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 1.36 0.82 0.86 0.00 0.00 171 A 7.84 3.95 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 0.00 172 S 8.02 4.30 0.00 3.99 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 0.00 173 R 8.05 4.46 0.00 1.97 1.94 0.00 3.59 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 174 N 7.96 4.20 0.00 3.14 2.90 0.00 0.00 6.90 7.41 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 0.00 175 I 7.98 5.03 1.79 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 1.01 1.48 0.81 0.00 0.00 176 T 8.22 4.49 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 1.17 0.00 0.00 177 V 8.61 4.83 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 1.00 0.00 0.00 0.82 0.00 0.00 178 N 9.33 5.54 0.00 2.59 2.62 0.00 0.00 6.34 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 C 9.10 5.43 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 8.86 4.85 1.87 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 1.19 0.76 0.91 0.00 0.00 181 A 8.99 5.22 1.18 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 0.00 0.00 182 P 0.00 4.65 0.00 2.03 1.94 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 183 G 8.54 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 F 8.85 4.50 0.00 3.01 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 0.00 185 I 8.29 4.95 1.87 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 1.36 0.84 0.90 0.00 0.00 186 K 8.85 3.93 0.00 1.85 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *198 K 8.46 4.21 0.00 1.84 1.62 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 199 E 8.48 4.45 0.00 1.98 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 2.18 1.86 0.00 200 A 7.68 4.25 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 0.00 201 I 7.40 3.15 1.53 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 -0.35 0.00 0.00 202 M 7.88 3.87 0.00 2.06 1.98 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 2.63 2.63 0.00 203 A 7.29 4.00 1.27 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 0.00 0.00 0.00 204 M 8.01 4.40 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 205 I 7.09 4.40 1.88 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 1.49 0.95 0.97 0.00 0.00 206 P 0.00 4.21 0.00 2.05 2.14 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 207 M 8.01 4.08 0.00 2.05 2.23 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 2.61 2.52 0.00 208 K 8.38 4.20 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.99 0.00 0.00 3.22 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.50 7.81 209 R 7.26 4.70 0.00 2.00 1.84 0.00 3.07 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 210 M 8.40 4.42 0.00 1.98 2.05 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 2.57 2.55 0.00 211 G 9.07 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 0.00 212 I 8.46 4.79 1.84 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 1.31 0.70 0.91 0.00 0.00 213 G 8.70 3.60 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 0.00 0.00 0.00 214 E 8.00 3.63 0.00 1.46 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 2.25 2.21 0.00 215 E 7.93 3.92 0.00 2.20 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 0.00 2.49 2.37 0.00 216 I 7.62 3.68 1.91 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 1.52 0.85 0.87 0.00 0.00 217 A 7.68 3.92 1.18 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 0.00 0.00 218 F 8.01 4.47 0.00 3.20 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 0.00 219 A 8.02 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 T 8.17 3.96 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 1.36 0.00 0.00 221 V 8.15 3.74 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 0.93 0.00 0.00 1.30 0.00 0.00 222 Y 8.30 4.46 0.00 2.96 3.16 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 0.00 223 L 7.88 3.66 0.00 1.70 1.67 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 224 A 8.19 4.13 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 0.00 225 S 7.12 4.38 0.00 4.29 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 0.00 226 D 8.74 4.49 0.00 2.72 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 0.00 227 E 7.76 4.14 0.00 2.13 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 1.69 2.10 0.00 228 A 7.67 4.69 0.69 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 0.00 0.00 229 A 7.73 3.96 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 0.00 230 Y 7.99 4.44 0.00 2.83 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 0.00 231 L 7.47 4.47 0.00 1.66 1.71 1.13 0.86 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 0.00 232 T 7.81 4.60 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 1.08 0.00 0.00 233 G 8.88 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 0.00 0.00 0.00 234 Q 8.26 4.73 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 235 T 8.27 4.95 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 0.95 0.00 0.00 236 L 9.12 4.33 0.00 1.61 1.63 0.99 1.05 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 0.00 237 H 8.86 5.01 0.00 3.05 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.41 4.42 1.88 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 1.31 0.86 0.94 0.00 0.00 239 N 8.22 5.04 0.00 2.90 3.00 0.00 0.00 6.01 7.22 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 0.00 240 G 9.53 3.82 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 0.00 0.00 0.00 241 G 8.38 4.07 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 0.00 242 M 7.57 4.09 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.78 0.00 243 A 8.58 4.16 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 * Residues marked with a * may have inaccurate shift predictions.