NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6924 0.0000 0.0000 62.7961 33.5473 174.0039 2 I 4.8357 8.2479 119.2585 59.5661 39.7567 170.4652 3 V 4.5692 9.1350 119.1901 59.5765 36.7899 173.7941 4 Q 4.9363 8.5640 123.6374 55.1936 30.3796 175.3667 5 N 4.7882 8.8118 124.2166 51.4096 39.3373 175.6650 6 L 4.1137 8.2721 116.9645 57.3770 41.6563 178.3146 7 Q 4.1084 8.1236 115.8683 56.4441 29.0594 176.6402 8 G 3.9384 8.3288 106.6164 45.0608 0.0000 173.1191 9 Q 4.6644 8.3315 118.6564 54.2985 31.4390 174.6611 10 M 4.7829 8.4414 121.8294 55.1334 32.9953 176.1032 11 V 4.5991 8.9643 116.2549 59.5663 36.8032 174.2563 12 H 4.8784 8.7902 122.1474 56.2328 30.6119 174.0878 13 Q 4.6230 8.4853 125.8350 53.9256 31.2772 175.2278 14 A 4.1882 8.5293 128.5533 51.3989 19.3240 177.0780 15 I 3.6770 8.2308 120.4692 62.0155 37.8362 177.2583 16 S 4.4523 8.4240 119.1456 57.0651 65.3568 173.3877 17 P 4.2352 0.0000 0.0000 66.1343 31.0710 178.6671 18 R 3.9226 8.1097 115.8997 59.9225 30.0066 179.0860 19 T 3.8904 7.8142 114.8605 66.5537 68.4975 176.7300 20 L 4.0883 8.0863 122.3081 58.0475 42.1636 178.2455 21 N 4.2716 8.7156 117.2835 56.9009 38.8004 176.6476 22 A 4.0411 8.0951 121.9893 54.8099 18.3465 179.4330 23 W 4.3071 8.3765 126.9992 60.6857 30.7351 178.3407 24 V 3.2651 7.9205 118.1851 65.8833 30.9079 178.1815 25 K 3.8665 8.0518 118.1876 59.2682 31.7818 179.4977 26 V 3.4337 7.8142 118.6670 65.8203 31.4521 178.1687 27 V 2.8601 7.1582 118.0871 65.8637 31.0390 177.6548 28 E 3.8053 7.8007 117.0725 59.4319 29.3665 178.6147 29 E 4.1440 7.8723 117.7485 57.6681 30.1968 176.9515 30 K 4.3557 8.1228 115.4349 55.3344 34.3312 175.8079 31 A 3.4593 7.3987 123.0658 51.8074 18.9209 177.9477 32 F 4.5469 5.9570 122.1038 56.1873 39.7579 175.0391 33 S 4.6474 8.2528 116.6932 57.4351 64.2047 173.8756 34 P 4.2539 0.0000 0.0000 66.1420 29.3291 178.7251 35 E 4.1065 8.2667 116.8125 59.0222 29.2941 179.4246 36 V 3.9940 8.1223 119.8009 64.6538 31.1779 178.6718 37 I 3.8519 7.8441 120.4482 64.0219 37.1205 176.3059 38 P 4.2951 0.0000 0.0000 66.1078 31.0269 178.5684 39 M 4.1256 7.6965 115.9508 58.3278 31.8778 178.5827 40 F 3.9874 8.9120 121.2215 61.3611 39.3829 176.9937 41 S 3.8149 8.2674 113.6767 61.6822 62.9466 176.6023 42 A 4.0368 7.8266 122.7714 55.2309 18.0868 179.8087 43 L 3.9573 7.8031 116.3727 57.3138 41.9443 178.9367 44 S 4.1341 7.4592 112.5139 57.1682 63.1365 173.7796 45 E 3.9215 7.0664 123.1431 58.4187 29.2011 177.6617 46 G 3.8258 8.9077 110.6436 45.3429 0.0000 173.0818 47 A 4.1756 7.6418 123.5961 51.8941 19.1481 177.7940 48 T 4.2668 8.6865 112.2256 60.3301 71.2993 174.2285 49 P 4.5069 0.0000 0.0000 66.0668 31.2477 178.5257 50 Q 3.9949 8.4203 118.0493 59.4774 28.9417 178.2725 51 D 4.3850 8.0718 119.6236 57.2985 40.8388 178.7362 52 L 3.8793 8.1255 119.5365 57.9902 41.5470 179.3506 53 N 4.4626 8.6198 116.5815 56.5600 38.1996 177.6467 54 T 3.9121 7.6584 116.3760 66.8925 68.7174 176.1566 55 M 4.3137 8.1494 120.5849 58.6408 31.8274 178.9485 56 L 4.2488 8.1475 118.9598 57.6516 41.6007 178.4012 57 N 4.8787 8.3631 113.9516 54.0178 38.7721 176.2729 58 T 4.5048 7.6232 111.0542 60.9902 69.6207 174.9264 59 V 3.6684 7.4388 123.2884 62.8871 31.8163 175.2426 60 G 4.1359 8.5441 116.2383 44.8264 0.0000 174.9680 61 G 3.6186 8.2747 107.8960 46.5374 0.0000 174.0026 62 H 4.2884 8.3183 110.6137 56.6506 26.8654 176.6608 63 Q 4.0403 8.1890 121.8041 59.1199 28.9215 178.1451 64 A 4.0115 8.0740 121.0040 55.1760 18.4238 179.3887 65 A 3.9723 8.1027 118.7986 55.5944 18.5185 179.6338 66 M 3.9621 8.3265 117.3249 58.4152 32.0212 178.7322 67 Q 3.9520 8.1940 119.8036 59.3357 29.1485 178.0937 68 M 3.9851 7.9721 119.1094 58.4258 32.2526 177.6911 69 L 3.8547 8.0675 120.8356 58.3862 42.2968 179.2068 70 K 4.0098 8.1959 118.1781 59.3889 31.8750 179.2704 71 E 3.9409 8.3145 118.8813 59.7564 29.4430 179.4498 72 T 3.8280 8.1175 115.9355 66.6788 68.4020 176.7571 73 I 3.8247 8.0045 121.7521 64.5539 37.1830 178.3072 74 N 4.2589 8.0841 117.1675 56.1049 38.3528 177.0457 75 E 3.8226 8.2477 120.8186 59.3745 29.6319 178.7996 76 E 3.4787 7.9389 118.2538 58.9261 29.1435 179.1936 77 A 3.3902 7.4671 120.7145 54.9616 18.3324 179.6140 78 A 3.9288 7.8017 119.2742 55.3129 18.4201 179.7631 79 E 3.8722 8.1484 117.2008 58.9654 29.5395 179.0737 80 W 4.2325 8.3773 128.9508 60.7522 30.4824 177.7084 81 D 4.4073 7.7747 117.3187 57.5121 40.3940 178.3846 82 R 3.9797 7.4708 117.8739 59.2303 30.1684 177.7887 83 L 4.2548 7.7274 115.8786 55.0617 43.2936 176.7991 84 H 4.6297 7.2968 115.1129 52.9340 28.9139 171.2160 85 P 4.3686 0.0000 0.0000 62.4946 32.2593 176.4224 86 V 4.4844 7.7916 113.7639 59.5148 35.6437 174.9468 87 H 4.5623 8.3994 117.8683 55.2358 29.2632 175.8104 88 A 4.1186 8.7111 124.0546 55.0158 18.2608 177.3598 89 G 4.2305 7.5622 101.9179 43.3271 0.0000 169.9292 90 P 4.4969 0.0000 0.0000 62.6506 32.0442 176.7142 91 I 3.8741 8.4198 122.2636 64.4354 37.4869 176.6658 92 E 4.2798 7.9535 119.8844 54.8363 30.1853 174.4171 93 P 4.2765 0.0000 0.0000 63.7649 31.8126 176.9003 94 G 3.9001 8.9034 110.1484 45.7263 0.0000 173.4076 95 Q 4.0045 7.5936 120.8789 55.3700 29.5447 175.2808 96 M 4.0543 8.5983 124.1316 55.4817 32.1092 176.1442 97 R 4.2119 8.4914 123.2093 55.9596 30.2978 176.4972 98 E 4.1468 8.6354 120.0890 55.5024 30.1792 175.3239 99 P 3.8786 0.0000 0.0000 62.5906 32.0215 176.7758 100 R 4.7492 9.0731 120.4888 54.6294 33.1914 178.0248 101 G 3.8074 9.3714 106.8180 48.3556 0.0000 176.1366 102 S 4.1295 8.0920 116.1666 61.0607 62.9935 176.2770 103 D 4.3542 7.8856 122.0737 57.3824 40.4716 178.4777 104 I 3.3193 7.2319 118.6036 64.0765 37.1224 177.7865 105 A 2.5800 7.6865 118.6897 51.8901 18.3630 178.3495 106 G 3.9111 7.5843 105.7779 45.4932 0.0000 174.8783 107 T 4.1502 7.7455 110.6044 63.2982 69.1966 175.6226 108 T 4.5158 7.9007 108.9560 60.9024 69.9626 173.6730 109 S 5.0238 7.7748 116.8660 56.9062 65.3451 174.5740 110 T 4.1483 8.5465 113.1638 61.0901 70.7767 175.3376 111 L 3.8076 8.4661 124.0610 58.8084 41.9230 179.2580 112 Q 3.8838 7.9431 118.5254 59.2152 28.9000 177.9964 113 E 3.3552 8.1772 119.7733 59.0005 29.3244 179.0950 114 Q 4.1961 7.9550 118.2086 59.3844 28.8662 179.3701 115 I 3.8455 7.7779 120.6898 64.0399 36.7545 178.8504 116 G 3.4024 7.8953 106.7577 47.4254 0.0000 175.7189 117 W 4.4849 7.7963 121.9692 59.9975 28.9187 178.6310 118 M 4.1915 8.2743 117.1857 57.6366 31.3911 177.9237 119 T 4.5103 7.5123 107.0645 60.6885 69.7002 174.0950 120 H 4.2066 7.3550 121.9252 56.5677 30.4830 173.6823 121 N 4.9470 8.0092 122.0002 51.0172 39.4408 172.5392 122 P 4.6526 0.0000 0.0000 61.0283 32.7345 174.3295 123 P 4.6105 0.0000 0.0000 62.3948 31.6605 177.0360 124 I 4.2727 8.2727 124.2616 59.5617 36.7165 174.8881 125 P 4.6106 0.0000 0.0000 61.8195 28.3855 176.9032 126 V 3.3590 7.6920 118.3309 64.7553 31.8896 178.1724 127 G 3.6188 7.8561 106.6545 47.2824 0.0000 175.5128 128 E 3.8865 7.9745 120.7343 59.0015 29.5024 179.4245 129 I 3.3493 7.6621 120.0002 64.2100 36.9782 177.6089 130 Y 3.6279 7.3148 120.2674 60.7168 38.5032 178.3095 131 K 3.8713 8.1142 119.4342 59.5698 32.1457 179.1820 132 R 3.9422 7.8813 118.7221 59.2883 30.0497 178.5558 133 W 4.5154 7.9947 118.7278 59.9621 29.1038 178.4926 134 I 3.6602 8.1721 119.9337 64.5851 36.5137 178.6070 135 I 3.7996 8.2448 120.9755 64.0845 36.7205 178.2447 136 L 4.0981 8.2692 121.4998 58.0747 41.9552 179.3213 137 G 3.5749 8.2221 105.6032 47.8350 0.0000 175.4659 138 L 3.8648 8.2797 122.0581 57.7628 41.4039 179.5445 139 N 4.3742 8.4238 115.6612 55.8232 38.5454 177.2577 140 K 4.1008 7.8135 121.4109 59.7057 32.4092 179.1229 141 I 3.8157 7.8746 119.9240 64.1210 36.9995 178.6174 142 V 4.4526 8.0106 114.6252 63.5129 31.0504 178.5718 143 R 4.0511 7.6271 117.6312 59.2576 29.9622 177.6822 144 M 4.1514 8.0947 116.7034 56.8645 32.3062 175.9712 145 Y 4.3735 7.8774 121.6220 58.0904 38.8118 175.1163 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 P 0.00 4.69 0.00 2.08 2.24 0.00 3.86 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 2.01 1.79 0.00 2 I 8.25 4.84 1.86 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 1.36 0.80 0.94 0.00 0.00 3 V 9.14 4.57 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 0.67 0.00 0.00 0.95 0.00 0.00 4 Q 8.56 4.94 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 5 N 8.81 4.79 0.00 2.96 2.95 0.00 0.00 6.74 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.27 4.11 0.00 1.65 1.77 0.91 0.87 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 7 Q 8.12 4.11 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 8 G 8.33 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.33 4.66 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 10 M 8.44 4.78 0.00 1.89 1.99 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 2.58 2.50 0.00 11 V 8.96 4.60 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 0.66 0.00 0.00 0.98 0.00 0.00 12 H 8.79 4.88 0.00 3.10 3.19 0.00 5.86 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 13 Q 8.49 4.62 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 14 A 8.53 4.19 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 15 I 8.23 3.68 1.88 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 1.44 0.71 0.90 0.00 0.00 16 S 8.42 4.45 0.00 4.04 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 17 P 0.00 4.24 0.00 2.18 2.18 0.00 3.62 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 2.13 2.22 0.00 18 R 8.11 3.92 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 19 T 7.81 3.89 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 1.19 0.00 0.00 20 L 8.09 4.09 0.00 1.90 1.71 1.08 0.46 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 21 N 8.72 4.27 0.00 2.88 2.88 0.00 0.00 7.13 7.92 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 22 A 8.10 4.04 1.46 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 0.00 0.00 23 W 8.38 4.31 0.00 3.43 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 24 V 7.92 3.27 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 0.99 0.00 0.00 0.99 0.00 0.00 25 K 8.05 3.87 0.00 1.98 1.79 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.62 7.81 26 V 7.81 3.43 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 1.02 0.00 0.00 0.98 0.00 0.00 27 V 7.16 2.86 1.64 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 0.56 0.00 0.00 -0.54 0.00 0.00 28 E 7.80 3.81 0.00 1.98 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 2.37 2.37 0.00 29 E 7.87 4.14 0.00 1.90 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 0.00 2.24 2.29 0.00 30 K 8.12 4.36 0.00 1.75 1.65 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.26 7.81 31 A 7.40 3.46 -0.11 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 32 F 5.96 4.55 0.00 2.30 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 33 S 8.25 4.65 0.00 4.10 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 34 P 0.00 4.25 0.00 2.21 2.21 0.00 3.65 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 2.16 2.25 0.00 35 E 8.27 4.11 0.00 2.05 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 2.41 2.45 0.00 36 V 8.12 3.99 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 1.21 0.00 0.00 0.93 0.00 0.00 37 I 7.84 3.85 2.07 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 1.61 0.78 1.01 0.00 0.00 38 P 0.00 4.30 0.00 2.20 2.15 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 39 M 7.70 4.13 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.90 0.00 40 F 8.91 3.99 0.00 3.31 3.34 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 41 S 8.27 3.81 0.00 4.03 3.89 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 42 A 7.83 4.04 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 43 L 7.80 3.96 0.00 1.60 1.68 1.19 1.10 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 44 S 7.46 4.13 0.00 3.48 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 45 E 7.07 3.92 0.00 1.96 1.88 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 2.44 2.38 0.00 46 G 8.91 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 47 A 7.64 4.18 1.21 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 0.00 0.00 0.00 48 T 8.69 4.27 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 1.26 0.00 0.00 49 P 0.00 4.51 0.00 2.33 2.34 0.00 3.81 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 2.19 0.00 50 Q 8.42 3.99 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 51 D 8.07 4.39 0.00 2.90 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 52 L 8.13 3.88 0.00 1.81 1.34 0.79 0.36 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 53 N 8.62 4.46 0.00 3.00 2.96 0.00 0.00 7.08 7.72 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 54 T 7.66 3.91 4.46 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 1.27 0.00 0.00 55 M 8.15 4.31 0.00 1.32 2.03 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.34 0.00 56 L 8.15 4.25 0.00 1.77 1.79 0.88 0.47 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 57 N 8.36 4.88 0.00 2.85 2.92 0.00 0.00 7.01 8.35 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 58 T 7.62 4.50 4.34 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 1.44 0.00 0.00 59 V 7.44 3.67 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 0.93 0.00 0.00 1.25 0.00 0.00 60 G 8.54 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.27 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 62 H 8.32 4.29 0.00 3.61 3.91 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.19 4.04 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 64 A 8.07 4.01 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 65 A 8.10 3.97 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 66 M 8.33 3.96 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.02 0.00 67 Q 8.19 3.95 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 68 M 7.97 3.99 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 69 L 8.07 3.85 0.00 1.70 1.75 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.20 4.01 0.00 2.15 1.87 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.58 7.81 71 E 8.31 3.94 0.00 2.17 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 2.32 2.34 0.00 72 T 8.12 3.83 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 1.24 0.00 0.00 73 I 8.00 3.82 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.92 1.19 0.00 0.00 74 N 8.08 4.26 0.00 2.87 2.83 0.00 0.00 6.69 7.54 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 75 E 8.25 3.82 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 76 E 7.94 3.48 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 2.30 2.22 0.00 77 A 7.47 3.39 1.19 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 0.00 0.00 78 A 7.80 3.93 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 79 E 8.15 3.87 0.00 2.07 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 2.36 2.38 0.00 80 W 8.38 4.23 0.00 3.66 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 81 D 7.77 4.41 0.00 2.89 2.75 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 82 R 7.47 3.98 0.00 1.72 2.02 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 83 L 7.73 4.25 0.00 1.37 1.39 0.85 0.81 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 84 H 7.30 4.63 0.00 2.74 2.97 0.00 5.86 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 85 P 0.00 4.37 0.00 1.97 1.93 0.00 3.50 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 86 V 7.79 4.48 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 87 H 8.40 4.56 0.00 3.33 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.71 4.12 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 89 G 7.56 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 0.00 0.00 0.00 0.00 90 P 0.00 4.50 0.00 2.44 2.12 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 91 I 8.42 3.87 1.89 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 1.45 0.79 0.90 0.00 0.00 92 E 7.95 4.28 0.00 2.02 1.88 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 2.41 2.29 0.00 93 P 0.00 4.28 0.00 2.04 2.00 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 94 G 8.90 3.90 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 0.00 0.00 0.00 95 Q 7.59 4.00 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 96 M 8.60 4.05 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 97 R 8.49 4.21 0.00 2.08 2.03 0.00 3.21 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 98 E 8.64 4.15 0.00 2.01 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 2.36 2.26 0.00 99 P 0.00 3.88 0.00 1.30 0.49 0.00 3.42 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.05 0.00 100 R 9.07 4.75 0.00 1.81 2.25 0.00 3.34 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 101 G 9.37 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 0.00 102 S 8.09 4.13 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.89 4.35 0.00 2.69 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 0.00 104 I 7.23 3.32 1.57 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.02 -0.40 0.00 0.00 105 A 7.69 2.58 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 0.00 0.00 0.00 0.00 0.00 106 G 7.58 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 0.00 107 T 7.75 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 108 T 7.90 4.52 4.28 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 1.23 0.00 0.00 109 S 7.77 5.02 0.00 4.18 4.31 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 0.00 110 T 8.55 4.15 4.18 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 1.17 0.00 0.00 111 L 8.47 3.81 0.00 1.69 1.66 0.66 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.94 3.88 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 E 8.18 3.36 0.00 1.77 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 1.93 2.10 0.00 114 Q 7.95 4.20 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 115 I 7.78 3.85 1.81 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 1.71 0.96 0.89 0.00 0.00 116 G 7.90 3.40 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 0.00 117 W 7.80 4.48 0.00 3.57 3.23 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 0.00 118 M 8.27 4.19 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 119 T 7.51 4.51 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 120 H 7.36 4.21 0.00 3.50 3.49 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.01 4.95 0.00 2.63 2.61 0.00 0.00 7.04 7.69 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 0.00 122 P 0.00 4.65 0.00 2.27 2.06 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 123 P 0.00 4.61 0.00 2.10 2.24 0.00 3.74 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 124 I 8.27 4.27 1.97 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 1.39 0.63 0.73 0.00 0.00 125 P 0.00 4.61 0.00 2.21 2.20 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 126 V 7.69 3.36 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 0.41 0.00 0.00 1.08 0.00 0.00 127 G 7.86 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 0.00 128 E 7.97 3.89 0.00 2.05 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 2.34 2.30 0.00 129 I 7.66 3.35 1.04 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 -0.45 0.00 0.00 130 Y 7.31 3.63 0.00 2.84 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 0.00 131 K 8.11 3.87 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.40 7.81 132 R 7.88 3.94 0.00 1.90 2.06 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 133 W 7.99 4.52 0.00 3.77 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 0.00 134 I 8.17 3.66 1.85 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 0.21 0.00 0.00 135 I 8.24 3.80 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.97 0.00 0.00 136 L 8.27 4.10 0.00 2.11 1.87 1.05 0.99 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 0.00 137 G 8.22 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.86 0.00 1.73 1.72 0.60 0.52 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 0.00 139 N 8.42 4.37 0.00 2.88 2.91 0.00 0.00 7.01 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 0.00 140 K 7.81 4.10 0.00 1.78 1.95 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 141 I 7.87 3.82 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.90 0.00 0.00 142 V 8.01 4.45 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 1.44 0.00 0.00 1.05 0.00 0.00 143 R 7.63 4.05 0.00 1.99 2.01 0.00 3.17 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 1.69 1.70 0.00 144 M 8.09 4.15 0.00 1.68 1.85 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.46 0.00 145 Y 7.88 4.37 0.00 3.12 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