NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4755 8.1633 120.6129 55.4365 33.6733 173.1368 2 K 4.8073 8.3528 125.7356 54.8993 34.0971 174.1431 3 I 4.8329 8.7758 126.2446 59.4078 40.3758 173.9931 4 L 4.5570 8.3814 129.6175 53.7880 43.5645 175.1455 5 V 4.7544 8.6615 127.3524 61.5534 33.3920 174.1767 6 I 5.0343 8.8074 129.7683 59.7727 39.7047 174.7047 7 Q 4.7778 9.3421 126.6394 54.1695 31.1355 176.6097 8 G 4.1506 8.9683 115.8243 43.9662 0.0000 170.8737 9 P 4.4011 0.0000 0.0000 64.1956 31.6778 177.2576 10 N 4.4528 9.1179 116.8860 53.7587 38.1489 176.6614 11 L 3.9014 7.3739 118.3932 57.2440 41.7938 178.8265 12 N 4.3926 7.9592 114.6856 55.1492 36.2635 175.4043 13 M 4.3062 7.9560 118.2667 55.2645 32.2101 176.0950 14 L 3.9763 7.4696 120.5586 56.1990 42.6513 177.8424 15 G 4.2415 8.9360 114.7652 46.5431 0.0000 175.2964 16 H 4.2383 7.1604 113.3406 58.3936 28.7333 176.2850 17 R 4.3747 7.9682 114.8182 55.2323 30.4760 175.4548 18 D 4.6087 8.3558 117.9730 53.7397 39.0173 173.6368 19 P 4.6162 0.0000 0.0000 63.6017 29.0941 176.6831 20 R 4.1176 9.2077 122.4792 57.4164 30.6324 177.8292 21 L 4.0153 7.8965 117.8923 57.6952 41.9682 178.1288 22 Y 4.2680 7.8281 113.8044 57.9862 39.2029 174.3045 23 G 3.9585 7.0970 101.6975 44.5070 0.0000 172.8990 24 M 4.4904 8.5265 116.8130 55.2479 34.0233 176.1914 25 V 4.0398 7.6069 118.9247 62.2556 32.6679 176.2142 26 T 4.4729 7.9797 118.6474 59.9655 71.3124 175.8066 27 L 3.7004 8.0219 122.1553 58.1621 42.0552 178.4590 28 D 4.1435 7.8244 118.3447 57.5340 40.7954 178.6505 29 Q 4.0481 7.7163 118.2493 58.9214 28.6383 179.0576 30 I 3.5825 7.5218 120.8508 64.6802 37.0897 178.2430 31 H 3.9072 7.6965 116.9745 58.4392 28.1885 177.7841 32 E 3.9337 8.4968 120.8940 59.6003 29.3561 179.1377 33 I 3.7316 7.8394 119.7985 64.9388 37.1360 178.4035 34 M 4.4419 7.9055 120.4713 57.9803 31.8033 178.6691 35 Q 4.1227 8.2478 118.1485 59.4469 28.8857 178.8564 36 T 3.9197 8.2588 117.0098 67.0031 68.1514 176.2063 37 F 4.0639 8.3872 122.1583 61.2345 39.5067 177.3389 38 V 3.7968 8.0210 117.9484 65.8621 31.2722 178.1965 39 K 3.9666 8.4188 118.5352 59.5700 31.8729 179.1669 40 Q 4.2779 8.0625 115.6339 57.3392 28.8381 177.3643 41 G 3.7948 6.8993 106.9281 43.8560 0.0000 172.7700 42 N 4.2126 8.8557 116.0170 53.8782 36.7935 174.5033 43 L 4.0970 7.5122 117.0834 55.1397 42.5652 177.7299 44 D 4.6626 8.3104 123.2076 52.7990 39.6757 175.5476 45 V 4.7338 7.2879 118.7975 61.1732 35.3152 174.3932 46 E 4.6937 8.9458 127.4038 54.7329 31.6429 174.8387 47 L 4.8978 8.4009 124.2568 53.2089 43.6002 175.3371 48 E 4.4873 8.6224 124.1688 54.4053 31.8943 174.4078 49 F 5.3759 8.6187 125.2597 56.0762 41.3987 175.1109 50 F 5.0735 9.4072 124.7238 56.8794 42.9434 172.7326 51 Q 4.8742 8.0760 126.4160 54.5765 31.5469 173.9750 52 T 4.6210 8.4352 119.1281 61.1280 70.7837 173.0801 53 N 4.6958 9.0597 121.2550 53.2019 39.5849 175.3376 54 F 4.7828 8.8502 119.8276 55.6261 40.9054 175.7287 55 E 3.8491 9.0520 124.7507 59.5936 29.2193 179.1894 56 G 3.7066 8.1980 104.8996 47.8480 0.0000 175.3967 57 E 4.0964 8.2733 120.4031 59.1842 29.5480 179.0784 58 I 3.9103 8.0525 119.9473 64.5847 37.1537 178.4496 59 I 3.6949 7.8696 120.2972 64.5333 36.9033 177.8706 60 D 4.3912 8.3006 119.9982 57.6022 40.7333 179.3318 61 K 3.7872 8.2723 119.7731 59.3803 31.9656 178.6758 62 I 3.6730 7.7383 119.2368 64.7352 37.3949 178.0155 63 Q 4.1516 8.3486 118.8333 59.0937 28.3610 178.7563 64 E 4.1290 8.3542 118.5966 58.6958 29.2241 179.0145 65 S 4.5443 7.8866 113.9688 60.8029 62.9080 176.3645 66 V 3.7247 7.6330 122.2020 66.0479 31.4517 177.9659 67 G 3.7718 8.0351 104.8939 47.0904 0.0000 173.1990 68 S 4.5830 7.4685 114.3567 57.2508 64.9222 172.8940 69 D 4.7007 8.0610 117.5977 53.9365 39.7155 175.7748 70 Y 4.7695 7.2399 117.0328 58.2834 38.8228 175.8685 71 E 4.3193 9.2260 125.6357 58.8571 30.6338 176.8026 72 G 4.2395 7.7468 104.0046 45.4722 0.0000 172.2064 73 I 5.1887 8.9452 120.9601 59.3069 41.0433 174.7371 74 I 4.9213 8.7048 127.2435 59.5716 39.7004 174.5389 75 I 5.0595 9.0486 127.0805 59.2849 41.9736 173.3881 76 N 5.2748 9.1189 127.7320 50.4314 40.3234 172.9470 77 P 4.5596 0.0000 0.0000 62.4303 32.8903 178.1602 78 G 3.6750 8.8360 108.7681 46.0187 0.0000 175.5269 79 A 4.3646 8.3422 121.7148 54.9010 18.6769 179.3393 80 F 4.8367 7.7550 114.1739 59.7849 38.9252 177.6481 81 S 4.5167 8.4171 117.3838 61.2369 62.3624 175.9239 82 H 4.7944 8.0125 118.1303 56.5525 28.8030 176.1673 83 T 4.6781 7.9993 108.4076 61.6470 70.9901 174.6872 84 S 4.4213 8.4615 117.6918 56.7474 61.4600 174.0297 85 I 3.4082 7.7165 129.2745 63.6146 37.0424 177.4836 86 A 3.9307 7.8237 121.1321 55.4240 18.2198 179.6215 87 I 3.6740 7.9972 118.1713 64.3141 37.1273 178.4448 88 A 4.0534 7.8851 121.2062 55.3027 18.2132 179.4518 89 D 4.2217 8.4948 117.3987 57.4528 40.7216 178.5616 90 A 4.0052 7.7649 119.8085 55.5881 18.6449 179.3895 91 I 3.8174 8.2012 118.3744 64.9282 36.9400 178.6673 92 M 4.1933 7.8893 118.7779 57.4994 31.6435 177.7041 93 L 4.4460 7.7933 117.9256 55.9236 39.5830 178.1607 94 A 3.8497 8.0168 122.6548 52.9959 18.5248 177.8258 95 G 4.1749 7.5824 105.7665 45.4039 0.0000 172.6814 96 K 4.4960 7.1990 114.3401 54.5129 36.0692 173.5713 97 P 4.3711 0.0000 0.0000 62.9425 32.3911 175.5053 98 V 4.9097 8.5109 123.9473 61.0761 34.6504 173.8472 99 I 4.8596 8.8143 128.6993 59.5021 39.9152 174.0872 100 E 4.9505 8.8590 128.3848 55.0640 30.8894 174.8852 101 V 4.7870 8.7004 126.2339 61.3412 35.1695 173.7904 102 H 5.0363 9.1556 123.4880 53.9795 32.2564 174.2336 103 L 4.1710 9.0698 123.4027 57.8371 42.3407 177.6226 104 T 4.4592 7.7438 106.3463 59.7736 70.8401 174.3864 105 N 4.4741 8.1353 121.5059 52.4808 37.5504 175.4903 106 I 3.9224 7.9316 118.8254 62.7482 38.1097 177.8668 107 Q 3.9372 7.8656 120.2439 58.3825 28.5608 176.8613 108 A 4.5444 8.0605 119.2611 51.7290 19.2165 176.4258 109 R 4.7403 7.2314 118.6390 55.2974 33.3541 175.1858 110 E 3.7382 8.2582 116.8791 57.0275 30.2708 177.8491 111 E 3.7897 8.7242 122.1219 59.3864 29.6554 179.0388 112 F 4.4423 7.8049 110.9936 58.6672 37.8888 175.5172 113 R 3.8987 6.9903 119.1419 56.0463 30.9477 177.5662 114 K 4.1315 7.8496 118.0960 59.0688 31.9750 177.6432 115 N 4.1741 7.9654 117.5261 53.6222 39.4650 173.4067 116 S 4.6188 8.2384 118.2879 55.8169 64.4267 173.8672 117 Y 4.2108 8.4264 127.7225 61.3144 38.1495 178.5101 118 T 4.2018 8.1936 110.2268 64.9978 68.3735 176.4293 119 G 3.7068 8.4904 108.8090 47.3619 0.0000 175.4694 120 A 4.0825 7.9382 122.0016 54.8254 18.4740 179.1319 121 A 4.1707 7.7442 117.5568 53.5399 18.8768 177.7588 122 C 4.4521 6.9241 114.0186 58.9831 29.1542 174.1750 123 G 3.7728 8.3498 109.3371 49.4548 0.0000 173.8504 124 G 4.3851 7.6970 105.0898 45.3540 0.0000 172.4349 125 V 5.1450 8.2114 119.2011 61.0749 35.1812 174.4417 126 I 4.8762 8.9448 127.4275 59.7161 40.4789 174.3295 127 M 5.1021 8.9093 123.5451 54.6186 34.2232 175.3254 128 G 3.7203 9.0990 109.5590 45.6922 0.0000 173.6890 129 F 4.6941 8.0111 115.0741 56.1102 40.0333 177.6010 130 G 3.9835 8.0717 111.4437 45.2201 0.0000 172.7336 131 P 4.5401 0.0000 0.0000 65.7355 31.2203 177.8536 132 L 4.0011 8.2929 118.9229 58.2593 41.7664 178.9391 133 G 3.6913 8.3604 105.5774 48.1800 0.0000 175.2145 134 Y 4.0425 8.2764 118.9367 60.9447 37.4069 178.2443 135 N 3.9397 8.0302 117.0565 56.2248 38.6432 177.1637 136 M 3.8537 7.8649 119.9787 58.1881 31.8679 178.6951 137 A 3.9427 7.8197 120.9188 54.9172 18.4798 179.5229 138 L 3.9355 7.9975 117.6598 58.2026 41.7880 179.1561 139 M 4.1035 8.3216 118.1021 58.9711 32.0640 178.1460 140 A 4.0006 8.0468 120.5429 55.2256 18.4563 179.2114 141 M 3.9477 8.3753 117.0940 58.8432 32.2718 178.4792 142 V 3.6236 8.0183 118.4615 66.3417 31.6576 177.7933 143 N 4.3748 8.3587 116.0538 56.2767 38.3382 177.5985 144 I 3.7737 8.1215 121.7976 64.1484 37.1650 178.5408 145 L 3.9425 8.3778 120.0375 57.7483 41.5569 179.0112 146 A 3.9947 8.1815 121.0264 55.6116 17.7986 179.3314 147 E 4.0395 8.2618 117.1931 59.2529 29.3049 178.8253 148 M 4.1691 8.0354 119.1726 58.1267 31.8106 178.4653 149 K 4.2436 8.0062 116.9781 58.1784 32.5343 178.9540 150 A 4.1578 8.0910 121.5803 55.1263 18.1464 179.1929 151 F 4.3454 7.8518 117.0536 62.1794 39.5033 176.7386 152 Q 3.7267 7.5088 115.6854 59.5465 29.0109 177.4030 153 E 4.2097 7.7797 121.9701 56.6959 29.6513 176.8370 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 4.48 0.00 2.46 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 2 K 8.35 4.81 0.00 2.02 1.94 0.00 1.18 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.45 7.81 3 I 8.78 4.83 1.86 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 1.14 1.25 0.91 0.00 0.00 4 L 8.38 4.56 0.00 0.77 1.16 0.71 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.66 4.75 2.21 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 1.23 0.00 0.00 0.97 0.00 0.00 6 I 8.81 5.03 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 1.10 0.00 0.00 7 Q 9.34 4.78 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 8 G 8.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.40 0.00 1.85 1.78 0.00 3.59 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 N 9.12 4.45 0.00 2.79 2.86 0.00 0.00 6.96 6.02 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 11 L 7.37 3.90 0.00 1.73 1.65 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.96 4.39 0.00 2.78 3.00 0.00 0.00 6.04 7.66 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 13 M 7.96 4.31 0.00 2.01 2.14 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 2.52 2.58 0.00 14 L 7.47 3.98 0.00 1.71 1.72 0.89 0.95 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 15 G 8.94 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 0.00 0.00 0.00 0.00 16 H 7.16 4.24 0.00 3.09 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.97 4.37 0.00 1.79 1.96 0.00 3.53 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 18 D 8.36 4.61 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 19 P 0.00 4.62 0.00 2.13 2.14 0.00 3.82 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 20 R 9.21 4.12 0.00 2.08 1.98 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 21 L 7.90 4.02 0.00 1.16 1.37 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.83 4.27 0.00 2.92 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 23 G 7.10 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 0.00 0.00 0.00 24 M 8.53 4.49 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 25 V 7.61 4.04 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 0.82 0.00 0.00 0.94 0.00 0.00 26 T 7.98 4.47 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 1.05 0.00 0.00 27 L 8.02 3.70 0.00 1.73 1.52 0.71 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.82 4.14 0.00 2.63 2.61 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 29 Q 7.72 4.05 0.00 2.22 2.09 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 2.34 2.34 0.00 30 I 7.52 3.58 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.35 0.00 0.00 31 H 7.70 3.91 0.00 2.66 1.49 0.00 5.64 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 32 E 8.50 3.93 0.00 2.06 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 2.31 0.00 33 I 7.84 3.73 2.05 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 0.85 0.96 0.00 0.00 34 M 7.91 4.44 0.00 2.31 2.51 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.54 0.00 35 Q 8.25 4.12 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.83 2.69 0.00 36 T 8.26 3.92 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 1.27 0.00 0.00 37 F 8.39 4.06 0.00 3.31 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 38 V 8.02 3.80 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 1.02 0.00 0.00 1.10 0.00 0.00 39 K 8.42 3.97 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 40 Q 8.06 4.28 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 41 G 6.90 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 42 N 8.86 4.21 0.00 2.80 2.88 0.00 0.00 6.96 7.94 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 43 L 7.51 4.10 0.00 1.70 1.63 0.87 0.73 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 44 D 8.31 4.66 0.00 2.61 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 45 V 7.29 4.73 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 0.91 0.00 0.00 0.97 0.00 0.00 46 E 8.95 4.69 0.00 1.96 1.82 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 2.23 2.26 0.00 47 L 8.40 4.90 0.00 0.97 0.70 1.07 0.85 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 48 E 8.62 4.49 0.00 2.16 1.74 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 2.24 2.34 0.00 49 F 8.62 5.38 0.00 2.95 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 50 F 9.41 5.07 0.00 3.07 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 51 Q 8.08 4.87 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 52 T 8.44 4.62 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 1.40 0.00 0.00 53 N 9.06 4.70 0.00 2.62 2.65 0.00 0.00 6.88 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 54 F 8.85 4.78 0.00 3.13 3.07 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 55 E 9.05 3.85 0.00 1.18 1.73 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 2.15 1.78 0.00 56 G 8.20 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 0.00 0.00 0.00 57 E 8.27 4.10 0.00 2.37 2.39 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 2.63 2.43 0.00 58 I 8.05 3.91 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.06 1.04 0.00 0.00 59 I 7.87 3.69 1.88 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 1.52 0.90 0.91 0.00 0.00 60 D 8.30 4.39 0.00 2.93 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 61 K 8.27 3.79 0.00 1.92 1.75 0.00 1.40 0.00 0.00 0.84 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.22 7.81 62 I 7.74 3.67 2.01 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 1.54 0.82 0.96 0.00 0.00 63 Q 8.35 4.15 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 64 E 8.35 4.13 0.00 2.00 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 2.32 2.36 0.00 65 S 7.89 4.54 0.00 4.05 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 0.00 66 V 7.63 3.72 2.21 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 0.84 0.00 0.00 0.98 0.00 0.00 67 G 8.04 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 0.00 0.00 0.00 68 S 7.47 4.58 0.00 3.87 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 69 D 8.06 4.70 0.00 2.70 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 70 Y 7.24 4.77 0.00 3.07 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 71 E 9.23 4.32 0.00 1.89 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 2.44 0.00 72 G 7.75 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 0.00 0.00 0.00 0.00 73 I 8.95 5.19 1.87 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 1.11 0.76 0.94 0.00 0.00 74 I 8.70 4.92 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 1.02 0.00 0.00 75 I 9.05 5.06 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.94 0.94 0.00 0.00 76 N 9.12 5.27 0.00 2.86 3.02 0.00 0.00 7.10 8.21 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 77 P 0.00 4.56 0.00 2.41 2.21 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 78 G 8.84 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 79 A 8.34 4.36 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 80 F 7.75 4.84 0.00 3.23 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 81 S 8.42 4.52 0.00 3.57 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 82 H 8.01 4.79 0.00 3.32 3.55 0.00 5.56 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 83 T 8.00 4.68 4.36 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 1.36 0.00 0.00 84 S 8.46 4.42 0.00 3.77 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 85 I 7.72 3.41 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.32 0.73 0.00 0.00 86 A 7.82 3.93 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 87 I 8.00 3.67 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.98 0.00 0.00 88 A 7.89 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.49 4.22 0.00 2.82 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 90 A 7.76 4.01 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 91 I 8.20 3.82 2.06 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 1.55 1.12 0.98 0.00 0.00 92 M 7.89 4.19 0.00 2.02 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 2.65 2.56 0.00 93 L 7.79 4.45 0.00 1.93 1.89 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.02 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 95 G 7.58 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 0.00 0.00 0.00 96 K 7.20 4.50 0.00 2.13 1.78 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.42 7.81 97 P 0.00 4.37 0.00 2.11 2.04 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 98 V 8.51 4.91 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 1.04 0.00 0.00 0.99 0.00 0.00 99 I 8.81 4.86 1.86 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 1.11 0.62 0.88 0.00 0.00 100 E 8.86 4.95 0.00 2.07 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 2.12 2.32 0.00 101 V 8.70 4.79 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 0.18 0.00 0.00 0.65 0.00 0.00 102 H 9.16 5.04 0.00 3.08 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.07 4.17 0.00 1.77 1.83 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.74 4.46 4.03 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 0.75 0.00 0.00 105 N 8.14 4.47 0.00 2.58 2.64 0.00 0.00 6.65 7.99 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 0.00 106 I 7.93 3.92 2.01 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 1.26 0.61 0.80 0.00 0.00 107 Q 7.87 3.94 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 108 A 8.06 4.54 1.14 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 0.00 0.00 109 R 7.23 4.74 0.00 1.58 1.67 0.00 3.08 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 110 E 8.26 3.74 0.00 1.16 1.12 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 2.18 2.17 0.00 111 E 8.72 3.79 0.00 1.98 1.94 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 2.38 2.37 0.00 112 F 7.80 4.44 0.00 3.10 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 0.00 113 R 6.99 3.90 0.00 1.63 1.76 0.00 3.07 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.06 0.00 114 K 7.85 4.13 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.50 1.42 7.81 115 N 7.97 4.17 0.00 2.67 2.57 0.00 0.00 6.56 7.63 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 0.00 116 S 8.24 4.62 0.00 3.88 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 0.00 117 Y 8.43 4.21 0.00 3.22 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 0.00 118 T 8.19 4.20 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 1.33 0.00 0.00 119 G 8.49 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 0.00 0.00 0.00 120 A 7.94 4.08 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 0.00 121 A 7.74 4.17 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 0.00 122 C 6.92 4.45 0.00 3.18 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 0.00 123 G 8.35 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 0.00 0.00 0.00 124 G 7.70 4.39 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 0.00 125 V 8.21 5.15 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 0.96 0.00 0.00 0.96 0.00 0.00 126 I 8.94 4.88 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.96 0.00 0.00 127 M 8.91 5.10 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 128 G 9.10 3.72 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 0.00 0.00 0.00 129 F 8.01 4.69 0.00 2.96 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 0.00 130 G 8.07 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 0.00 131 P 0.00 4.54 0.00 2.22 2.17 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 132 L 8.29 4.00 0.00 1.79 2.00 0.86 1.05 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 0.00 133 G 8.36 3.69 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 0.00 134 Y 8.28 4.04 0.00 3.20 3.05 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 0.00 135 N 8.03 3.94 0.00 2.50 1.61 0.00 0.00 7.15 7.66 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 0.00 136 M 7.86 3.85 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 137 A 7.82 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 0.00 138 L 8.00 3.94 0.00 1.75 1.86 1.06 0.86 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 0.00 139 M 8.32 4.10 0.00 2.15 2.25 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 2.61 0.00 140 A 8.05 4.00 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 0.00 141 M 8.38 3.95 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 142 V 8.02 3.62 2.38 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 1.10 0.00 0.00 1.00 0.00 0.00 143 N 8.36 4.37 0.00 2.94 2.86 0.00 0.00 7.07 6.76 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 0.00 144 I 8.12 3.77 2.01 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 1.53 0.76 0.92 0.00 0.00 145 L 8.38 3.94 0.00 1.83 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.18 3.99 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 0.00 147 E 8.26 4.04 0.00 2.25 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 2.36 0.00 148 M 8.04 4.17 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 149 K 8.01 4.24 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.63 7.81 150 A 8.09 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 7.85 4.35 0.00 3.02 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 0.00 152 Q 7.51 3.73 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 153 E 7.78 4.21 0.00 2.14 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 2.33 2.31 0.00