NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3711 8.1627 120.3232 54.8065 33.0615 172.4732 2 H 4.0305 8.0597 126.7243 55.2452 30.5384 172.4310 3 L 4.6736 10.5824 121.8743 53.5139 44.4009 177.6120 4 T 4.1717 8.6977 120.0412 62.2979 70.6474 174.2225 5 P 4.3135 0.0000 0.0000 66.0369 31.5688 178.9320 6 E 4.0288 8.0874 115.4369 59.0524 29.5907 178.9818 7 E 3.9019 7.8711 119.3537 59.1917 29.7525 178.8481 8 K 3.7954 8.9832 119.3898 59.6853 32.1309 179.3261 9 S 4.0887 8.1779 112.9556 61.2253 61.9101 176.0904 10 A 4.0247 7.7901 123.3079 54.8421 18.0690 179.8898 11 V 3.2834 7.6328 116.7330 66.3127 31.7536 178.2648 12 T 3.8866 7.8037 115.2154 66.7525 68.1378 176.3667 13 A 4.0483 7.7903 120.9811 55.1984 18.7546 179.0967 14 L 3.9166 7.7949 118.5284 58.0400 42.0965 179.0362 15 W 4.3370 8.6769 128.5695 60.1877 30.4679 177.9431 16 G 3.8142 8.1277 104.3724 46.5167 0.0000 173.9508 17 K 4.4759 7.5384 118.3672 55.9769 33.0508 176.3737 18 V 3.6729 7.4387 120.4156 62.0751 32.0166 175.8922 19 N 4.4758 8.3197 125.4320 52.5365 38.7420 175.3588 20 V 3.4686 8.0890 128.4302 65.8940 31.6123 177.1825 21 D 4.3408 8.0913 118.0479 57.4813 40.6900 178.6064 22 E 3.8834 8.4168 118.7743 59.4503 29.5369 179.5853 23 V 3.5350 7.8622 118.5029 65.7166 31.5262 178.2363 24 G 3.6819 8.3970 105.8837 47.8822 0.0000 175.9090 25 G 3.6190 7.8287 108.4939 47.3104 0.0000 175.4160 26 E 3.9093 8.4427 121.6591 58.7421 29.6728 178.7389 27 A 3.9419 8.3891 121.2993 55.2146 18.6393 179.4612 28 L 4.0508 8.0317 119.0346 57.9894 42.1315 179.4651 29 G 3.5555 8.0684 105.8671 47.9059 0.0000 175.9406 30 R 3.9401 8.0851 121.0006 58.6224 30.0289 178.8068 31 L 4.1463 8.0615 120.1173 58.4877 41.6335 179.2572 32 L 4.2154 7.8756 119.4487 56.7892 41.2334 179.5818 33 V 3.7147 7.4052 117.5787 65.6128 31.7714 177.9510 34 V 3.6666 8.3506 117.3839 64.2554 32.7318 175.5169 35 Y 4.7298 7.8036 116.6140 54.3391 38.0549 173.8842 36 P 4.5275 0.0000 0.0000 64.6052 31.6733 177.4393 37 A 4.0636 8.2127 119.4647 55.2974 17.9550 179.3206 38 T 4.1771 8.3178 107.8168 64.4697 68.7244 176.3673 39 Q 4.3760 8.2262 121.4475 58.2612 28.4230 178.3285 40 R 3.8542 7.6255 116.8275 58.6470 29.2497 177.8417 41 F 4.3659 7.2371 115.8755 57.2618 39.6249 175.6664 42 F 4.7154 8.0819 118.9448 56.8146 39.6168 177.2850 43 E 4.0345 8.4042 122.7866 59.4625 29.4696 179.1061 44 S 4.3583 7.9993 110.5227 59.2986 63.5885 174.8976 45 F 4.5261 8.2454 120.1116 58.5449 39.6144 175.0577 46 G 4.0127 7.3388 105.1786 44.0082 0.0000 173.1133 47 D 4.5645 8.6888 122.9416 54.3581 41.6792 176.6112 48 L 4.9319 8.2963 126.0760 54.5695 43.4284 177.8514 49 S 4.3044 8.3238 116.5375 60.5729 63.4662 174.5980 50 T 4.7518 7.4321 109.9524 58.3046 72.9735 172.7773 51 P 4.2466 0.0000 0.0000 66.0023 31.4773 178.7648 52 D 4.3155 8.0897 116.9418 57.1735 40.8768 178.5536 53 A 3.9919 7.9987 121.3552 55.0203 18.1759 179.8700 54 V 3.5258 7.6304 115.4789 66.6383 31.7997 177.9973 55 M 4.2675 8.1929 117.2662 58.0007 31.8170 178.4207 56 G 3.9156 7.7657 104.0092 44.9598 0.0000 173.3844 57 N 4.2922 7.7235 120.5206 53.2325 39.3430 173.6931 58 P 4.2505 0.0000 0.0000 65.8885 31.2821 178.5979 59 K 3.7185 8.0004 118.1229 58.6992 31.7070 179.5807 60 V 3.6781 7.7295 118.2694 65.9913 31.5276 177.9975 61 K 3.8784 8.0948 118.0220 59.5216 31.9871 179.1781 62 A 4.0576 8.0184 120.9278 55.1336 18.2914 179.1978 63 H 4.4558 8.6012 117.3535 59.1998 29.8535 177.6501 64 G 3.6115 8.3545 107.9423 47.7357 0.0000 175.5209 65 K 3.9599 7.8976 121.8806 58.9411 32.1862 178.8627 66 K 3.9692 8.0023 119.4504 59.5101 32.2433 178.8792 67 V 3.6231 7.9867 118.7327 66.1657 31.5072 177.8070 68 L 4.3472 8.4346 120.0588 57.6113 41.8542 179.1786 69 G 3.6840 8.2303 106.0284 47.8853 0.0000 175.6393 70 A 4.1892 8.1902 123.7601 54.6267 18.1342 179.5568 71 F 4.1294 8.1337 118.5383 61.4627 39.9483 176.7575 72 S 4.2901 9.0104 113.1949 61.9288 62.2668 176.0921 73 D 4.5202 8.3512 121.4085 57.2290 40.4506 178.9932 74 G 3.4522 7.9382 106.1108 47.4287 0.0000 175.2498 75 L 3.8902 7.2956 118.7350 55.9985 41.6436 177.9312 76 A 4.5386 7.4859 119.4972 51.9272 19.5182 176.4470 77 H 4.8377 8.0110 115.4596 55.2388 30.0983 175.8351 78 L 3.3384 8.1335 121.5270 57.7139 41.5216 178.2873 79 D 4.5109 7.8822 116.2307 55.7336 41.9034 176.1954 80 N 4.9992 8.8405 119.0802 51.4302 39.6797 174.6901 81 L 3.9577 7.8111 123.0295 57.6031 42.2106 179.2289 82 K 4.0399 8.0881 118.1209 59.6644 31.8666 179.4382 83 G 3.5900 8.1095 103.7646 48.1003 0.0000 175.3448 84 T 3.7912 7.4682 116.8000 65.5850 68.6905 175.8792 85 F 4.8606 7.9205 116.9501 56.9964 39.2611 177.2686 86 A 4.0572 7.6734 123.1141 55.7381 18.1662 180.2231 87 T 3.8326 7.9027 107.3397 65.1539 68.7452 176.3852 88 L 4.1253 7.9985 121.4387 57.2253 41.6935 179.2997 89 S 4.3747 8.5290 114.9593 61.0312 62.3558 175.9440 90 E 3.8807 8.3383 121.3488 59.4087 29.1335 179.2694 91 L 3.8727 8.0014 120.2531 58.4923 42.2097 178.7319 92 H 4.1142 8.5684 116.4045 58.7930 28.4544 177.3200 93 C 3.5333 7.8055 120.4803 62.3620 31.1722 175.4073 94 D 4.2354 8.4538 119.8689 56.5190 40.5595 177.6603 95 K 4.1941 7.6987 116.7546 57.8932 33.1198 177.5275 96 L 4.1621 7.8403 116.3825 54.6471 42.5710 176.1167 97 H 4.0441 7.1041 114.5966 56.7104 26.4913 175.3467 98 V 4.0007 7.7417 117.8206 60.6883 32.7560 174.6810 99 D 4.3037 8.7102 127.2664 53.8472 41.4606 175.1421 100 P 3.0650 0.0000 0.0000 64.4721 31.6790 178.0005 101 E 3.7901 8.0284 118.8345 59.1855 29.3438 178.4175 102 N 4.2807 8.0005 116.5007 55.9572 38.4336 177.2903 103 F 4.5157 7.6884 119.7395 60.5132 38.8950 177.8952 104 R 3.9682 7.9109 117.3894 59.1283 29.9754 178.7730 105 L 3.7993 7.5872 118.6162 57.7486 41.5256 179.4259 106 L 4.1109 8.1660 120.3559 57.8018 41.9822 178.9836 107 G 3.7396 8.1101 105.8558 48.2027 0.0000 175.3678 108 N 4.4333 8.1738 119.5336 55.6993 38.4382 177.7240 109 V 3.6169 7.9141 119.7413 65.8298 31.5853 177.5813 110 L 3.8506 8.2314 120.5053 58.3485 41.8722 179.1432 111 V 3.5446 7.7740 117.8676 66.3379 31.4800 177.7647 112 C 4.1506 8.0333 116.4255 62.6936 27.9167 176.3547 113 V 3.5343 7.9277 120.1539 65.9014 31.0761 178.0307 114 L 3.8555 8.0508 118.9412 57.7124 41.3774 179.4506 115 A 3.6925 7.3399 120.5723 55.2068 18.0646 179.1292 116 H 4.0029 8.0026 115.8618 59.6334 29.9618 177.0076 117 H 4.1670 8.0496 117.0188 58.4233 28.9982 177.0652 118 F 4.6849 8.5043 117.7345 54.8895 39.4919 179.2538 119 G 3.9123 8.9204 107.9624 46.1858 0.0000 175.3799 120 K 3.9209 9.5049 119.8289 59.4198 32.2284 177.6594 121 E 4.0611 8.2041 118.2210 58.5331 30.2719 176.8671 122 F 4.5222 7.9670 123.3798 57.2834 38.2696 174.9913 123 T 4.1305 7.2407 114.3181 60.7781 71.2503 173.1628 124 P 4.1582 0.0000 0.0000 65.5552 31.2026 177.1984 125 P 4.2323 0.0000 0.0000 65.4993 31.2953 178.8899 126 V 3.5647 7.3199 116.8436 65.7732 31.3080 177.8921 127 Q 3.6478 7.8773 119.4258 58.9426 28.7357 177.9676 128 A 3.9769 7.9731 121.5929 55.2535 18.5039 179.5072 129 A 3.9126 7.8192 118.9895 55.5894 18.3739 179.5552 130 Y 4.0263 8.1365 115.0603 61.1299 37.8721 178.7070 131 Q 4.1267 8.5687 119.5676 58.8273 28.7651 178.8253 132 K 4.0216 7.9370 119.7337 59.2761 32.0219 179.6671 133 V 3.5095 7.7127 118.3233 66.0611 31.5261 178.3358 134 V 3.8371 8.3288 118.1283 65.9358 31.2344 177.8838 135 A 4.1589 8.2412 120.9397 54.7655 18.2546 179.7762 136 G 3.5435 8.2372 104.3796 47.9543 0.0000 175.9797 137 V 3.4761 8.1491 121.3366 65.5140 31.6541 177.8379 138 A 3.8461 8.0091 120.3421 55.3667 18.0151 179.3623 139 N 4.3099 8.2588 113.7984 56.4387 38.9698 177.2567 140 A 4.1865 8.1539 122.2007 55.0102 18.0451 179.6884 141 L 3.8741 8.0742 117.3125 57.0109 41.6081 178.5275 142 A 4.4689 7.7391 118.8096 52.8442 18.9610 178.4027 143 H 4.2652 7.9556 116.4477 58.5723 29.9517 175.7781 144 K 4.4540 7.9936 117.5341 56.2261 32.1042 176.2960 145 Y 4.0127 7.9169 117.4119 58.4008 38.3949 175.7290 146 H 4.4453 8.1970 117.6134 56.1945 28.2397 173.3121 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 M 8.16 4.37 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 2 H 8.06 4.03 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 10.58 4.67 0.00 1.67 1.48 0.81 0.77 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 4 T 8.70 4.17 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 1.21 0.00 0.00 5 P 0.00 4.31 0.00 2.12 2.09 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 6 E 8.09 4.03 0.00 2.13 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 0.00 2.33 2.32 0.00 7 E 7.87 3.90 0.00 2.24 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 2.35 2.35 0.00 8 K 8.98 3.80 0.00 1.56 1.80 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.53 7.81 9 S 8.18 4.09 0.00 3.88 4.05 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 0.00 0.00 0.00 10 A 7.79 4.02 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 11 V 7.63 3.28 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 0.60 0.00 0.00 0.40 0.00 0.00 12 T 7.80 3.89 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 1.25 0.00 0.00 13 A 7.79 4.05 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 14 L 7.79 3.92 0.00 1.83 1.98 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.68 4.34 0.00 3.85 3.32 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 16 G 8.13 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 0.00 0.00 0.00 17 K 7.54 4.48 0.00 2.05 2.04 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.54 7.81 18 V 7.44 3.67 1.10 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 0.10 0.00 0.00 0.72 0.00 0.00 19 N 8.32 4.48 0.00 2.71 2.60 0.00 0.00 6.84 7.71 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 20 V 8.09 3.47 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 1.20 0.00 0.00 0.88 0.00 0.00 21 D 8.09 4.34 0.00 2.95 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 22 E 8.42 3.88 0.00 1.94 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 2.42 0.00 23 V 7.86 3.54 1.91 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 0.88 0.00 0.00 0.63 0.00 0.00 24 G 8.40 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 25 G 7.83 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 26 E 8.44 3.91 0.00 2.16 1.90 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 2.24 2.26 0.00 27 A 8.39 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 28 L 8.03 4.05 0.00 1.75 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.07 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.09 3.94 0.00 2.10 2.00 0.00 3.10 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 31 L 8.06 4.15 0.00 1.95 1.96 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.88 4.22 0.00 1.94 1.76 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.41 3.71 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 0.76 0.00 0.00 0.95 0.00 0.00 34 V 8.35 3.67 1.79 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 0.01 0.00 0.00 0.87 0.00 0.00 35 Y 7.80 4.73 0.00 3.20 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 36 P 0.00 4.53 0.00 2.17 2.14 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 37 A 8.21 4.06 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 38 T 8.32 4.18 4.50 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 1.38 0.00 0.00 39 Q 8.23 4.38 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 40 R 7.63 3.85 0.00 1.59 1.87 0.00 2.85 0.00 0.00 2.54 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 41 F 7.24 4.37 0.00 1.91 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.08 4.72 0.00 2.83 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 0.00 0.00 0.00 0.00 43 E 8.40 4.03 0.00 2.00 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 2.34 2.20 0.00 44 S 8.00 4.36 0.00 4.12 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 45 F 8.25 4.53 0.00 3.18 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 46 G 7.34 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 0.00 0.00 0.00 47 D 8.69 4.56 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.30 4.93 0.00 1.65 1.62 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.32 4.30 0.00 3.97 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 50 T 7.43 4.75 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 1.21 0.00 0.00 51 P 0.00 4.25 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 52 D 8.09 4.32 0.00 2.68 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 53 A 8.00 3.99 1.42 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 54 V 7.63 3.53 2.22 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 0.94 0.00 0.00 0.98 0.00 0.00 55 M 8.19 4.27 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 56 G 7.77 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 57 N 7.72 4.29 0.00 3.00 2.87 0.00 0.00 6.77 7.23 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 58 P 0.00 4.25 0.00 2.23 2.25 0.00 3.71 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 2.00 2.02 0.00 59 K 8.00 3.72 0.00 1.53 0.74 0.00 1.26 0.00 0.00 1.23 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 1.20 7.81 60 V 7.73 3.68 2.26 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 1.13 0.00 0.00 1.07 0.00 0.00 61 K 8.09 3.88 0.00 1.98 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.56 7.81 62 A 8.02 4.06 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 63 H 8.60 4.46 0.00 3.51 3.46 0.00 5.80 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 64 G 8.35 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.90 3.96 0.00 1.81 2.02 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 8.00 3.97 0.00 2.12 2.07 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.53 7.81 67 V 7.99 3.62 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 0.96 0.00 0.00 0.91 0.00 0.00 68 L 8.43 4.35 0.00 2.02 1.80 0.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.23 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 70 A 8.19 4.19 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.13 4.13 0.00 3.19 3.39 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 72 S 9.01 4.29 0.00 4.49 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 73 D 8.35 4.52 0.00 2.87 2.67 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 0.00 0.00 0.00 0.00 74 G 7.94 3.45 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 0.00 75 L 7.30 3.89 0.00 1.56 1.43 -0.32 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.49 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.01 4.84 0.00 3.10 3.11 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.13 3.34 0.00 1.53 1.65 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.88 4.51 0.00 2.62 2.67 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 0.00 0.00 0.00 0.00 80 N 8.84 5.00 0.00 2.59 2.59 0.00 0.00 7.06 6.54 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 81 L 7.81 3.96 0.00 1.74 1.81 0.91 0.83 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 82 K 8.09 4.04 0.00 1.78 1.80 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 1.46 7.81 83 G 8.11 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 84 T 7.47 3.79 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 0.50 0.00 0.00 85 F 7.92 4.86 0.00 3.16 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 86 A 7.67 4.06 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 87 T 7.90 3.83 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 L 8.00 4.13 0.00 2.06 1.84 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.53 4.37 0.00 4.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.34 3.88 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 91 L 8.00 3.87 0.00 1.79 1.85 0.91 1.15 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 92 H 8.57 4.11 0.00 3.58 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.81 3.53 0.00 1.23 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 94 D 8.45 4.24 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 95 K 7.70 4.19 0.00 1.81 1.78 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.47 7.81 96 L 7.84 4.16 0.00 1.64 1.61 0.70 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.10 4.04 0.00 3.49 3.38 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.74 4.00 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 0.08 0.00 0.00 0.51 0.00 0.00 99 D 8.71 4.30 0.00 2.74 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 0.00 100 P 0.00 3.07 0.00 1.91 1.77 0.00 3.36 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.00 101 E 8.03 3.79 0.00 2.00 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 2.23 2.29 0.00 102 N 8.00 4.28 0.00 2.53 2.73 0.00 0.00 6.91 7.65 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 0.00 103 F 7.69 4.52 0.00 3.08 2.84 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 0.00 104 R 7.91 3.97 0.00 1.96 1.96 0.00 3.10 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 105 L 7.59 3.80 0.00 1.64 1.33 0.50 0.41 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 0.00 106 L 8.17 4.11 0.00 1.82 1.71 0.93 0.86 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 0.00 107 G 8.11 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 0.00 0.00 0.00 108 N 8.17 4.43 0.00 2.80 2.95 0.00 0.00 6.74 7.83 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 0.00 109 V 7.91 3.62 2.27 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 1.14 0.00 0.00 1.18 0.00 0.00 110 L 8.23 3.85 0.00 1.72 1.81 0.89 0.28 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 0.00 111 V 7.77 3.54 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 1.23 0.00 0.00 1.15 0.00 0.00 112 C 8.03 4.15 0.00 3.22 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 0.00 113 V 7.93 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 0.94 0.00 0.00 0.90 0.00 0.00 114 L 8.05 3.86 0.00 1.02 1.15 0.62 0.64 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 0.00 115 A 7.34 3.69 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 0.00 116 H 8.00 4.00 0.00 3.19 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.05 4.17 0.00 2.80 2.58 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.50 4.68 0.00 3.24 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 0.00 119 G 8.92 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 0.00 120 K 9.50 3.92 0.00 1.82 1.95 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 121 E 8.20 4.06 0.00 2.26 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 2.35 2.31 0.00 122 F 7.97 4.52 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.24 4.13 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 1.29 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 P 0.00 4.23 0.00 2.11 2.07 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.32 3.56 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 0.99 0.00 0.00 0.89 0.00 0.00 127 Q 7.88 3.65 0.00 1.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 128 A 7.97 3.98 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 0.00 129 A 7.82 3.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.14 4.03 0.00 3.33 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 0.00 131 Q 8.57 4.13 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 132 K 7.94 4.02 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.66 7.81 133 V 7.71 3.51 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 0.92 0.00 0.00 0.77 0.00 0.00 134 V 8.33 3.84 2.33 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 1.03 0.00 0.00 1.16 0.00 0.00 135 A 8.24 4.16 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.24 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 0.00 137 V 8.15 3.48 2.27 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 0.80 0.00 0.00 0.76 0.00 0.00 138 A 8.01 3.85 1.42 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 0.00 139 N 8.26 4.31 0.00 2.90 2.90 0.00 0.00 7.06 7.82 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 0.00 140 A 8.15 4.19 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 0.00 141 L 8.07 3.87 0.00 1.09 0.75 -0.14 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.74 4.47 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 0.00 143 H 7.96 4.27 0.00 3.37 3.56 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.99 4.45 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.74 7.81 145 Y 7.92 4.01 0.00 3.09 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 0.00 146 H 8.20 4.45 0.00 3.19 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00