NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2291 8.1633 120.3167 54.6261 32.7827 174.1777 2 K 3.6555 8.6296 126.4021 56.8670 32.4888 175.5983 3 G 3.9289 8.4928 113.5249 44.4248 0.0000 172.0016 4 D 4.5221 8.3849 119.7500 54.0501 41.9332 176.7407 5 K 3.8756 9.1279 125.9824 60.0386 32.1487 179.3961 6 I 3.7484 7.7636 119.2256 64.0595 36.8686 178.5348 7 V 3.7743 7.6964 118.9250 66.2924 31.4386 178.1494 8 I 3.7069 8.0214 119.6468 64.5082 36.9840 178.5150 9 Q 3.9559 8.0067 118.9544 59.0901 28.4509 178.4217 10 H 4.1377 8.2606 117.2916 58.9223 28.8126 177.7119 11 L 4.0056 8.2486 121.0550 58.1411 41.4380 179.5068 12 N 4.4180 8.2514 116.2454 55.9845 38.2719 177.7898 13 K 3.9700 7.8775 119.8103 59.5071 32.3261 179.4209 14 I 3.7247 7.9556 120.2265 64.2341 37.0027 178.2409 15 L 4.0620 8.1101 121.3415 58.1626 41.4896 179.3041 16 G 3.6446 8.1104 105.6614 47.7642 0.0000 175.4960 17 N 4.4052 7.9918 118.5962 56.1822 38.5844 177.3793 18 E 3.9156 8.0616 119.6216 59.4803 29.4682 179.2527 19 L 4.0693 7.9620 118.9005 57.8910 41.5894 179.9282 20 I 3.6359 7.3297 118.2333 64.1385 37.1031 177.9466 21 A 3.2498 7.5638 121.5223 55.1423 18.1142 179.2863 22 I 3.5475 7.8468 118.3196 65.0109 37.2443 178.3379 23 N 4.3461 7.7939 116.8215 56.2015 38.3905 177.3626 24 Q 3.8497 8.3412 121.2964 59.6037 29.1499 178.0582 25 Y 4.6668 8.3276 118.0025 61.0544 37.8343 178.3344 26 F 3.8972 8.4395 121.9646 61.0564 39.4890 177.0488 27 L 4.0014 8.1272 120.1596 58.3672 41.9017 178.6704 28 H 3.9533 8.3180 116.0331 58.5145 28.5409 177.4969 29 A 4.1216 8.2180 122.7841 55.5653 18.2495 180.0568 30 R 3.7581 7.6994 116.2712 59.2621 29.9264 179.3851 31 M 3.5137 7.7465 118.7201 58.2660 31.8758 178.1455 32 Y 4.3510 7.8256 117.0606 61.1861 38.0444 178.1630 33 E 3.9178 8.4468 120.3695 59.6868 29.4721 178.1722 34 D 4.3785 8.1192 116.8138 57.4524 41.2914 178.0891 35 W 4.7690 8.1392 117.2618 57.7836 29.4421 177.2499 36 G 4.0465 8.7735 108.5081 45.4307 0.0000 173.8209 37 L 4.7721 8.0320 122.1837 52.5715 40.2882 176.5149 38 E 3.9017 8.2158 122.6969 59.6940 29.3436 178.5634 39 K 3.7872 8.1909 119.0122 59.6836 32.3035 178.5685 40 L 4.0892 7.7888 120.1059 57.7883 42.0903 178.9270 41 G 3.7037 8.3019 105.9959 47.6487 0.0000 175.5870 42 K 3.9117 8.3249 122.3935 59.4625 32.1669 178.4561 43 H 3.8403 7.8621 117.5551 59.0950 29.7585 177.1294 44 E 3.9199 8.1133 120.1538 59.4295 29.2910 178.5869 45 Y 4.0887 8.0883 119.5948 61.1764 38.7379 178.1071 46 H 4.1311 7.9698 116.7648 58.7354 28.6915 177.5940 47 E 3.7894 8.0768 120.4800 59.2128 29.3143 179.1707 48 S 4.2400 8.4307 113.5686 61.8230 62.5136 176.5269 49 I 3.6555 7.6202 122.1618 64.0591 36.6774 178.0675 50 D 4.1523 8.1875 119.4488 57.4176 41.0681 178.1601 51 E 3.9430 8.4222 119.3193 59.5971 29.4030 179.2740 52 M 4.0275 7.8816 118.3723 58.3267 31.9773 178.9499 53 K 4.0098 7.8759 118.6271 59.6113 32.1023 179.2196 54 H 4.2582 8.1293 116.3816 58.8156 28.6337 177.6623 55 A 3.9745 8.1822 122.6680 55.1298 18.1631 179.0270 56 D 4.2703 8.1629 116.4748 57.6175 41.3138 178.7654 57 K 3.9905 8.0809 118.8435 59.4678 32.0457 179.3949 58 L 4.0418 8.1464 119.4452 57.6563 41.5244 179.5922 59 I 3.6981 8.1952 120.1703 64.3880 37.1224 178.4252 60 K 3.9330 8.1629 119.3051 59.6937 31.8491 179.3140 61 R 4.0634 8.0277 118.6826 59.4403 29.9926 178.6501 62 I 3.7155 7.9088 119.5934 64.4790 37.1589 178.4372 63 L 4.1059 8.0832 119.8112 57.6085 41.1716 179.4249 64 F 4.4185 8.0442 119.7841 61.3423 39.7111 176.7535 65 L 4.1595 7.9613 116.8591 53.7752 40.9662 176.9776 66 E 3.6326 7.8755 117.4025 57.5088 27.3802 174.5252 67 G 3.9920 8.3056 108.2754 43.9271 0.0000 173.4063 68 L 4.5712 8.0567 118.8215 51.9939 42.8658 175.0926 69 P 4.3624 0.0000 0.0000 63.0559 31.9640 176.1655 70 N 4.9288 8.1508 118.0778 51.7819 38.6385 173.8703 71 L 4.1197 8.1690 121.7106 57.2194 42.6101 178.3584 72 Q 3.9385 8.0586 118.3703 58.7824 29.0230 176.9910 73 E 4.3030 8.1363 117.2163 54.7791 30.2065 175.2466 74 L 4.4192 8.3149 126.5403 52.8402 42.7024 176.2317 75 G 3.7888 8.3075 116.2087 44.6598 0.0000 171.3533 76 K 3.9393 8.2649 120.5776 56.6951 32.4360 176.2339 77 L 4.2411 7.9100 122.5249 53.7039 43.3245 175.2681 78 L 4.2867 8.5190 127.7500 54.2269 41.1964 176.4059 79 I 4.4527 8.2324 125.1062 59.3384 38.8583 176.4216 80 G 4.0444 8.7263 114.1030 44.9815 0.0000 172.8926 81 E 4.6257 9.7012 118.9869 57.0874 30.9925 176.5519 82 H 5.1840 7.7585 113.0083 52.8889 33.1768 173.9673 83 T 4.2509 8.6837 117.3576 67.1872 68.1720 176.1618 84 K 3.7667 8.2309 120.5060 59.9204 32.0343 178.1385 85 E 3.9547 7.7660 118.6749 59.3646 29.5648 178.4472 86 M 4.0628 8.2478 119.0576 58.0953 31.9259 178.7615 87 L 4.1148 8.2347 119.4941 57.7298 41.8154 179.3741 88 E 3.9455 8.0066 118.3202 59.6896 29.4889 179.0879 89 C 4.2377 8.4870 117.1545 63.0786 28.1947 176.0403 90 D 4.6548 8.1199 120.1454 57.3545 40.4638 178.5957 91 L 4.0386 7.9472 120.9731 57.8407 42.0692 178.9364 92 K 4.0195 8.5686 120.3361 59.0993 31.9429 178.6502 93 L 3.9998 8.1455 120.7612 58.1296 42.0681 178.7509 94 E 4.1151 8.1221 117.9486 59.8042 29.3355 179.5412 95 Q 4.1241 7.9198 115.7915 58.4625 28.7665 178.2904 96 A 4.2994 7.9722 121.4067 54.1190 18.8796 178.9757 97 G 3.8251 7.7462 103.5527 45.9430 0.0000 175.6019 98 L 3.9606 7.8283 123.1088 58.2311 42.0246 177.1477 99 P 4.2760 0.0000 0.0000 65.9591 31.2989 178.2193 100 D 4.3951 8.1468 117.4657 57.4326 40.7544 178.8799 101 L 4.0672 7.8559 118.9917 57.6699 41.8017 179.5340 102 K 4.0357 8.1422 118.3181 59.2914 31.9755 179.3297 103 A 4.0519 8.1894 121.0428 54.8898 18.2005 179.6077 104 A 3.7550 7.9069 119.0303 55.2493 18.4487 179.9076 105 I 3.6635 7.9408 118.1711 64.5029 37.1950 178.5645 106 A 4.0314 7.9376 121.1852 55.1214 18.2967 179.1646 107 Y 3.8841 8.0145 118.0812 61.0954 38.9243 177.7361 108 C 3.9657 8.4402 118.0832 62.7623 28.0515 175.8188 109 E 3.8854 8.1228 120.7963 59.4956 29.0595 179.1679 110 S 4.1218 7.6523 113.7815 60.5657 62.8497 176.0211 111 V 4.0973 6.9042 112.1610 60.3482 31.6742 176.5349 112 G 3.2042 7.2105 106.5267 46.2065 0.0000 175.3105 113 D 4.4576 7.3873 121.4567 53.0700 38.9866 176.1621 114 Y 4.3269 7.5042 121.6654 59.9988 38.3860 177.2095 115 A 4.0619 8.0035 121.7343 55.3700 18.6388 179.6551 116 S 4.1481 8.5116 113.7394 61.5058 62.7371 176.8792 117 R 3.8963 7.8482 121.1797 59.6670 29.9074 178.3510 118 E 3.9904 8.2709 118.2629 59.3348 29.2404 179.1978 119 L 3.9388 8.0306 120.2168 58.3165 42.1838 179.1635 120 L 4.0115 8.1560 118.9471 57.5804 41.3840 179.0086 121 E 3.9687 8.9704 119.8951 59.9310 29.3617 179.3877 122 D 4.3851 8.1250 118.5049 57.3487 40.9090 178.9233 123 I 3.6064 7.5351 120.3798 63.9361 36.9916 178.2627 124 L 3.9784 8.1048 121.5110 58.2762 41.6122 178.9396 125 E 4.0366 7.9921 118.6764 59.3814 29.3671 179.3059 126 S 4.1930 7.9915 113.1404 61.2683 62.4562 176.0525 127 E 4.2471 8.3419 121.4785 59.3395 29.1939 179.0775 128 E 4.1059 8.3986 118.7197 58.9635 29.2919 178.9168 129 D 4.3287 7.7885 118.1603 57.5725 41.3584 177.6413 130 H 4.3036 8.2436 118.6542 59.4499 29.9011 177.0447 131 I 3.6958 7.8196 121.5725 64.5690 36.9437 177.7193 132 D 4.5248 8.1766 118.6968 57.3625 41.0307 178.2743 133 W 4.0616 8.2159 128.6306 60.1476 30.7590 178.1505 134 L 3.7903 8.0616 119.1839 57.7358 41.0966 179.0593 135 E 3.8907 8.6247 118.7875 59.8072 29.4349 179.5831 136 T 3.7303 7.8732 115.5579 66.7404 68.5961 176.6029 137 Q 3.6740 7.4115 119.7517 58.7518 28.4573 179.0263 138 L 3.7371 7.4866 119.6012 57.8295 41.7879 179.3012 139 D 4.2796 8.0993 118.9207 57.3267 40.7057 178.8457 140 L 3.9827 8.2756 119.8388 57.7241 41.4646 179.6099 141 I 3.5489 7.2013 119.5187 64.4554 36.7592 178.2446 142 D 4.3029 7.4870 118.6874 57.2680 40.6997 178.6897 143 K 4.1654 7.8615 118.0392 58.2310 32.1917 178.3889 144 I 4.3510 8.0079 110.7112 59.3111 39.5388 176.6629 145 G 3.9738 8.1510 108.2971 45.8077 0.0000 173.8393 146 L 3.9498 8.6828 123.5620 58.4394 42.1376 179.3522 147 E 3.9597 8.2504 117.6073 59.6512 29.4009 179.1888 148 N 4.3567 8.0846 115.9034 56.3015 38.5357 176.5449 149 Y 4.0129 7.9460 119.8817 60.8070 39.1805 178.0320 150 L 4.0481 8.2535 119.9171 57.8599 41.2150 179.2411 151 Q 3.9709 7.9739 119.1593 59.2935 28.7207 178.3793 152 S 4.2329 7.7816 114.6524 60.3782 63.2551 175.4479 153 Q 4.2103 7.6290 119.6532 56.2676 28.5831 177.3857 154 M 4.3280 7.4113 118.8171 57.0350 32.3537 176.1710 155 D 4.4770 7.7944 121.7980 54.3714 41.8291 175.3498 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 4.23 0.00 1.43 1.93 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 2 K 8.63 3.66 0.00 1.68 1.73 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 G 8.49 3.93 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 0.00 0.00 0.00 4 D 8.38 4.52 0.00 2.82 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 5 K 9.13 3.88 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 6 I 7.76 3.75 1.79 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 1.39 0.57 -0.26 0.00 0.00 7 V 7.70 3.77 2.36 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 1.24 0.00 0.00 1.18 0.00 0.00 8 I 8.02 3.71 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.90 0.00 0.00 9 Q 8.01 3.96 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 10 H 8.26 4.14 0.00 3.36 3.32 0.00 5.63 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 11 L 8.25 4.01 0.00 1.97 1.75 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.25 4.42 0.00 3.01 2.84 0.00 0.00 7.04 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 13 K 7.88 3.97 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.71 7.81 14 I 7.96 3.72 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 1.68 1.43 0.92 0.00 0.00 15 L 8.11 4.06 0.00 1.89 1.87 0.92 0.84 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 16 G 8.11 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 17 N 7.99 4.41 0.00 2.93 2.88 0.00 0.00 6.96 8.79 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 18 E 8.06 3.92 0.00 2.01 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 0.00 2.63 2.51 0.00 19 L 7.96 4.07 0.00 1.82 1.69 0.90 0.57 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 20 I 7.33 3.64 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 1.42 0.76 0.90 0.00 0.00 21 A 7.56 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.85 3.55 1.96 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 1.53 0.58 0.85 0.00 0.00 23 N 7.79 4.35 0.00 2.82 2.83 0.00 0.00 6.76 7.34 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 24 Q 8.34 3.85 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 25 Y 8.33 4.67 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.90 0.00 3.46 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.13 4.00 0.00 1.84 1.73 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.32 3.95 0.00 3.36 3.10 0.00 5.68 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 29 A 8.22 4.12 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 30 R 7.70 3.76 0.00 1.74 1.89 0.00 3.14 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 31 M 7.75 3.51 0.00 0.89 1.69 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.18 0.00 32 Y 7.83 4.35 0.00 3.15 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 33 E 8.45 3.92 0.00 2.23 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 2.22 2.34 0.00 34 D 8.12 4.38 0.00 2.65 2.64 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 35 W 8.14 4.77 0.00 3.69 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 G 8.77 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 0.00 0.00 0.00 37 L 8.03 4.77 0.00 2.13 1.64 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.22 3.90 0.00 2.05 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 0.00 2.40 2.45 0.00 39 K 8.19 3.79 0.00 2.03 1.97 0.00 1.83 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 40 L 7.79 4.09 0.00 1.54 1.30 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.30 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 0.00 0.00 0.00 42 K 8.32 3.91 0.00 1.84 1.92 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.37 7.81 43 H 7.86 3.84 0.00 3.11 2.99 0.00 5.64 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 44 E 8.11 3.92 0.00 2.23 2.28 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 2.66 3.03 0.00 45 Y 8.09 4.09 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.97 4.13 0.00 3.10 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.08 3.79 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 48 S 8.43 4.24 0.00 4.08 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 49 I 7.62 3.66 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.47 0.79 0.00 0.00 50 D 8.19 4.15 0.00 2.94 2.55 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 51 E 8.42 3.94 0.00 2.11 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 2.70 2.45 0.00 52 M 7.88 4.03 0.00 2.04 2.24 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 2.74 2.52 0.00 53 K 7.88 4.01 0.00 1.95 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.54 7.81 54 H 8.13 4.26 0.00 3.37 3.33 0.00 5.64 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 55 A 8.18 3.97 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 56 D 8.16 4.27 0.00 2.92 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 57 K 8.08 3.99 0.00 2.05 1.86 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 58 L 8.15 4.04 0.00 1.86 1.73 0.94 0.90 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 59 I 8.20 3.70 2.03 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 1.52 1.17 0.92 0.00 0.00 60 K 8.16 3.93 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.47 7.81 61 R 8.03 4.06 0.00 2.10 2.13 0.00 3.37 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 7.91 3.72 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.49 0.92 0.00 0.00 63 L 8.08 4.11 0.00 1.73 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.04 4.42 0.00 2.92 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 65 L 7.96 4.16 0.00 1.90 1.58 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.88 3.63 0.00 2.06 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 0.00 2.22 2.35 0.00 67 G 8.31 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 68 L 8.06 4.57 0.00 1.60 1.59 0.91 0.98 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 69 P 0.00 4.36 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 70 N 8.15 4.93 0.00 2.61 2.67 0.00 0.00 7.06 7.78 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 71 L 8.17 4.12 0.00 1.66 1.68 0.90 0.96 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 72 Q 8.06 3.94 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 73 E 8.14 4.30 0.00 2.01 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 2.27 2.34 0.00 74 L 8.31 4.42 0.00 1.55 1.55 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.31 3.79 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 0.00 76 K 8.26 3.94 0.00 1.71 1.77 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 77 L 7.91 4.24 0.00 1.55 1.50 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.52 4.29 0.00 1.75 1.68 0.96 0.90 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 79 I 8.23 4.45 1.90 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 1.52 0.83 0.94 0.00 0.00 80 G 8.73 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 81 E 9.70 4.63 0.00 2.24 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 2.36 2.30 0.00 82 H 7.76 5.18 0.00 3.25 3.28 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.68 4.25 4.42 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 1.48 0.00 0.00 84 K 8.23 3.77 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.47 7.81 85 E 7.77 3.95 0.00 1.86 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 2.38 2.40 0.00 86 M 8.25 4.06 0.00 1.79 2.30 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.37 0.00 87 L 8.23 4.11 0.00 2.03 1.68 1.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.01 3.95 0.00 2.12 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 0.00 2.31 2.47 0.00 89 C 8.49 4.24 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.12 4.65 0.00 3.07 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 91 L 7.95 4.04 0.00 1.87 1.86 0.93 0.32 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 92 K 8.57 4.02 0.00 1.95 1.98 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 L 8.15 4.00 0.00 2.05 1.98 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.12 4.12 0.00 2.09 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 0.00 2.67 2.52 0.00 95 Q 7.92 4.12 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 96 A 7.97 4.30 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 97 G 7.75 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.83 3.96 0.00 1.82 1.73 0.96 0.94 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 99 P 0.00 4.28 0.00 2.21 2.12 0.00 3.86 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 2.14 2.21 0.00 100 D 8.15 4.40 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 0.00 101 L 7.86 4.07 0.00 1.88 1.72 0.93 0.91 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 0.00 102 K 8.14 4.04 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 103 A 8.19 4.05 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 0.00 104 A 7.91 3.75 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 0.00 105 I 7.94 3.66 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 1.48 0.71 0.94 0.00 0.00 106 A 7.94 4.03 1.43 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 0.00 0.00 107 Y 8.01 3.88 0.00 3.08 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 0.00 108 C 8.44 3.97 0.00 3.10 3.17 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 0.00 109 E 8.12 3.89 0.00 2.20 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 2.35 2.45 0.00 110 S 7.65 4.12 0.00 3.87 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 0.00 111 V 6.90 4.10 1.87 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 0.07 0.00 0.00 0.66 0.00 0.00 112 G 7.21 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 0.00 0.00 0.00 113 D 7.39 4.46 0.00 2.60 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 0.00 114 Y 7.50 4.33 0.00 3.08 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 0.00 115 A 8.00 4.06 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 0.00 116 S 8.51 4.15 0.00 4.06 3.96 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 0.00 117 R 7.85 3.90 0.00 1.90 2.22 0.00 3.35 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 118 E 8.27 3.99 0.00 2.23 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 2.58 2.51 0.00 119 L 8.03 3.94 0.00 1.91 1.90 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.16 4.01 0.00 1.91 1.71 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.97 3.97 0.00 2.11 2.04 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 2.36 2.40 0.00 122 D 8.13 4.39 0.00 2.84 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 0.00 123 I 7.54 3.61 1.92 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 1.18 1.04 0.80 0.00 0.00 124 L 8.10 3.98 0.00 1.77 1.89 0.94 0.82 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 0.00 125 E 7.99 4.04 0.00 2.15 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 2.35 2.33 0.00 126 S 7.99 4.19 0.00 3.91 4.06 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 0.00 127 E 8.34 4.25 0.00 2.09 2.16 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 2.64 2.54 0.00 128 E 8.40 4.11 0.00 2.07 2.04 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 2.36 2.35 0.00 129 D 7.79 4.33 0.00 2.95 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 0.00 130 H 8.24 4.30 0.00 3.32 3.65 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 0.00 131 I 7.82 3.70 2.08 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 1.44 0.65 0.94 0.00 0.00 132 D 8.18 4.52 0.00 2.99 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 0.00 133 W 8.22 4.06 0.00 3.46 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 0.00 134 L 8.06 3.79 0.00 1.96 1.68 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.62 3.89 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 136 T 7.87 3.73 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 1.09 0.00 0.00 137 Q 7.41 3.67 0.00 1.69 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.49 3.74 0.00 1.76 1.59 0.85 0.85 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 0.00 139 D 8.10 4.28 0.00 2.81 2.64 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 0.00 140 L 8.28 3.98 0.00 1.82 1.69 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.20 3.55 1.83 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 0.96 -0.13 0.79 0.00 0.00 142 D 7.49 4.30 0.00 2.70 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 0.00 143 K 7.86 4.17 0.00 1.74 1.85 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 144 I 8.01 4.35 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.71 0.92 0.00 0.00 145 G 8.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.68 3.95 0.00 1.76 1.70 0.96 0.96 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 0.00 147 E 8.25 3.96 0.00 2.05 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 0.00 2.40 2.41 0.00 148 N 8.08 4.36 0.00 3.05 2.88 0.00 0.00 6.76 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 0.00 149 Y 7.95 4.01 0.00 2.90 3.18 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 0.00 150 L 8.25 4.05 0.00 1.87 1.71 0.93 1.02 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 0.00 151 Q 7.97 3.97 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 152 S 7.78 4.23 0.00 3.86 3.78 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 0.00 0.00 0.00 153 Q 7.63 4.21 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 154 M 7.41 4.33 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.48 0.00 155 D 7.79 4.48 0.00 2.59 2.49 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