NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4823 0.0000 0.0000 62.5155 33.8069 174.7285 3 C 5.0611 8.9881 119.1208 57.3356 32.0998 171.4428 4 C 4.9497 10.0039 125.3947 57.7417 34.3354 172.1306 5 E 4.6843 9.0195 127.9284 54.8486 30.8535 175.0652 6 L 4.7163 8.6620 128.1826 53.6161 44.0743 175.1081 7 I 4.9913 8.9733 127.3269 59.8104 40.1008 174.5244 8 T 5.1234 9.0894 120.6778 60.4712 71.1076 173.2032 9 N 4.9939 8.8278 123.2637 52.8557 38.3839 174.4359 10 I 4.2605 7.8508 121.1562 60.7448 38.1099 175.0586 11 S 4.3574 8.7343 120.2900 56.3987 63.1081 172.9740 12 I 4.6473 7.6143 119.8413 57.4080 40.7011 173.6754 13 P 4.3504 0.0000 0.0000 62.2767 33.0975 177.4054 14 D 4.2037 8.4850 119.9690 57.5698 40.7746 178.8722 15 D 4.3160 7.9687 119.0921 56.5883 39.3492 178.7615 16 K 3.9925 7.9313 119.2399 58.6792 32.1477 178.9536 17 A 3.7448 8.0038 121.4185 55.3188 18.1521 179.6300 18 Q 3.9686 8.2634 116.7395 59.2258 28.7507 178.9821 19 N 4.3080 8.3051 117.1644 56.1709 38.5760 177.2855 20 A 3.6904 7.9946 122.0902 55.1335 18.4909 179.6323 21 L 3.9294 8.0103 117.4589 58.0028 41.6875 179.6607 22 S 4.4504 8.3007 114.6902 60.9506 62.2926 176.1272 23 E 3.9624 8.1430 121.1936 59.3950 29.0880 179.4106 24 I 3.6640 7.7228 119.8376 64.4220 37.0421 178.1319 25 E 3.9410 8.5461 119.8065 59.7224 29.3085 179.3256 26 D 4.3321 8.1470 118.4894 57.1474 40.8150 178.6434 27 A 3.9816 7.9532 121.2542 55.2486 18.3602 179.6801 28 I 3.6242 7.9741 118.5538 64.6326 37.2667 178.5545 29 S 4.6439 8.2712 115.5178 60.7913 61.9381 175.7670 30 N 4.2380 7.9434 118.5601 56.7230 38.8795 176.8301 31 V 3.7089 7.6757 118.1808 66.0220 31.8470 177.6048 32 L 4.2304 8.0937 116.4195 54.5705 42.0439 176.8300 33 G 3.8968 7.9345 106.2285 46.7711 0.0000 173.8755 34 K 4.6668 7.6376 117.2649 53.1000 35.8538 174.7569 35 P 4.5073 0.0000 0.0000 62.3003 32.0672 177.4777 36 V 3.4641 8.4083 119.5885 65.9305 31.5545 177.8701 37 A 3.8754 7.8743 121.4790 54.7278 18.0863 177.4282 38 Y 4.8896 7.7147 111.1241 57.8711 38.3126 175.0037 39 I 4.6706 7.8318 122.0441 60.0034 38.7319 174.8045 40 M 4.7819 9.1200 127.7762 54.1984 34.1348 174.8248 41 S 5.2618 8.4564 118.3371 57.2054 66.7146 172.3995 42 N 5.0136 9.0144 118.3107 52.5947 42.8886 172.7074 43 Y 4.6407 8.7549 125.6893 56.1068 40.5426 174.3761 44 D 4.8526 9.1579 128.9043 52.6709 42.6330 174.8031 45 Y 4.9491 8.8428 128.7273 57.6961 39.5776 175.0625 46 Q 4.3500 9.1123 127.3404 53.3762 30.2098 176.4981 47 K 3.6851 8.0851 123.5431 58.9848 32.9567 178.1076 48 N 4.6581 7.7774 114.7344 52.5523 38.8762 174.7523 49 L 4.0046 7.6007 121.3468 55.4846 42.5720 176.4857 50 R 4.8629 8.2245 123.3745 54.4292 33.7065 174.6614 51 F 4.4979 8.4253 121.9584 57.7316 42.4345 174.1730 52 S 3.2183 8.3790 119.3620 59.1396 60.5124 172.7464 53 G 3.8545 8.3484 103.1561 45.3054 0.0000 173.9015 54 S 4.6440 7.7528 113.1294 56.4986 66.0869 173.5142 55 N 5.0201 8.5474 118.1782 53.5033 38.6529 174.9774 56 E 4.1627 7.7955 115.9074 55.4509 30.0578 177.0648 57 G 3.9690 8.5091 109.5576 46.8170 0.0000 172.0881 58 Y 5.0083 9.1964 123.8130 56.6152 43.0786 173.0132 59 C 4.7902 7.8961 121.8725 57.6400 32.3734 172.6285 60 F 5.2692 9.0224 125.7357 56.2731 41.9287 173.8437 61 V 4.3146 8.0597 125.9278 60.7323 34.3578 173.9220 62 R 4.4608 8.4669 128.3809 54.3503 32.3884 173.8824 63 L 4.9590 8.5667 129.7409 53.6413 44.2762 174.9333 64 T 5.1453 8.8253 123.5289 61.9100 71.4916 173.3780 65 S 4.5701 8.7836 119.4145 56.6949 66.6270 173.3407 66 I 4.3215 7.4031 126.6747 60.7059 36.4858 176.7104 67 G 3.7640 8.8706 114.1769 45.9395 0.0000 172.3344 68 G 3.7458 8.6194 104.9133 45.4377 0.0000 173.6744 69 I 4.2266 7.3078 120.7398 60.4358 37.0298 174.9337 70 N 4.6380 8.0333 122.0361 50.5183 40.8370 175.1263 71 R 3.7152 8.3025 120.1273 59.6001 30.0765 178.1222 72 S 3.9935 7.8876 112.1091 61.6195 62.3953 175.7712 73 N 4.2881 8.7039 119.4490 56.2750 38.2207 177.2395 74 N 3.1516 8.1156 118.2756 55.8625 38.4534 177.4476 75 S 3.9878 8.0102 114.6338 61.2488 62.4586 176.0533 76 S 4.0306 7.9484 115.7686 61.5872 62.2087 176.2531 77 L 4.0342 8.2598 121.7153 57.5125 41.4506 179.1922 78 A 4.1533 8.5840 121.3887 55.2700 18.3626 179.2050 79 D 4.2495 8.1072 116.2896 57.4811 41.4134 178.6249 80 K 3.9632 8.1795 118.9452 59.6334 32.0475 179.5698 81 I 3.7285 8.3249 120.3752 64.5655 36.9349 178.6038 82 T 3.8179 7.7797 116.1410 66.5986 68.2143 176.7707 83 K 3.9614 7.9926 120.1845 59.4968 32.0078 179.3834 84 I 3.7377 7.8562 119.9900 64.4609 37.0560 178.5104 85 L 3.9801 8.1114 119.8176 57.9101 41.5074 179.7566 86 S 4.3968 8.1816 116.5332 61.0779 62.5256 176.5720 87 N 4.3089 8.2166 118.2359 56.7042 38.4338 176.7331 88 H 4.4991 8.3819 115.8744 57.2928 29.0071 176.7396 89 L 4.6886 8.5935 119.1247 53.4105 42.4585 178.0561 90 G 4.1462 8.0017 106.6149 45.4720 0.0000 174.4190 91 V 3.7876 7.0767 119.8016 61.0070 32.2190 175.9518 92 K 4.2744 8.4909 122.1505 55.6734 32.9454 176.2236 93 P 4.3104 0.0000 0.0000 66.0230 31.3759 177.9286 94 R 4.5539 7.9728 113.6624 56.7744 30.0804 176.3152 95 R 4.8508 8.4535 118.4669 56.0629 31.3896 175.1989 96 V 4.3824 7.7531 117.9431 61.2938 34.0917 174.0878 97 Y 5.2136 8.4693 125.3828 56.4493 40.9249 174.9217 98 I 4.6525 8.2251 122.5330 59.5101 40.8655 174.0660 99 E 4.5877 8.9067 128.3640 54.4095 31.8872 174.2805 100 F 5.2268 8.7697 124.7157 55.8069 41.4914 175.1492 101 R 4.6663 9.0791 122.2467 54.4494 33.5661 174.3446 102 D 5.0986 8.8100 123.4640 53.8949 43.0089 174.8967 103 C 4.8210 8.5260 123.0205 57.5418 35.4364 173.3998 104 S 4.4142 8.7691 120.0267 57.8127 62.8586 174.7945 105 A 4.0436 8.6147 129.2382 55.2637 18.3653 179.6352 106 Q 4.2911 8.1296 113.4458 58.1171 29.0574 176.3829 107 N 5.0410 8.1469 114.9703 52.4300 39.2544 174.2849 108 F 4.6784 8.0214 118.9500 56.5293 42.6360 172.8104 109 A 5.2672 7.8487 129.0627 50.2353 22.0275 175.1404 110 F 4.8728 8.8076 122.9221 57.5052 42.1761 174.9484 111 S 3.3361 9.1668 121.2896 59.1317 60.3839 172.8139 112 G 3.9292 8.5885 105.0901 44.9618 0.0000 174.0132 113 S 4.7720 7.6201 114.6781 55.9117 66.5545 173.7462 114 L 4.5683 8.3374 122.4581 54.8101 42.1324 177.4319 115 F 4.0407 9.7152 125.3215 60.4534 39.5654 175.1519 116 G 4.0396 7.2179 105.0927 45.6112 0.0000 172.5806 117 L 4.2226 8.6163 121.2689 54.9789 42.3671 177.8045 118 E 4.2095 8.6055 115.7794 56.3476 29.7387 177.7594 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 2 P 0.00 4.48 0.00 2.06 1.97 0.00 3.62 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 1.98 2.04 0.00 3 C 8.99 5.06 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 4 C 10.00 4.95 0.00 2.88 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 5 E 9.02 4.68 0.00 1.85 1.84 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 2.27 2.22 0.00 6 L 8.66 4.72 0.00 1.58 1.61 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.97 4.99 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.99 0.00 0.00 8 T 9.09 5.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 9 N 8.83 4.99 0.00 2.78 3.04 0.00 0.00 6.08 7.81 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 10 I 7.85 4.26 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 1.09 0.00 0.00 11 S 8.73 4.36 0.00 3.58 3.73 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 12 I 7.61 4.65 1.80 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 1.26 0.54 0.93 0.00 0.00 13 P 0.00 4.35 0.00 2.26 1.94 0.00 3.53 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 2.06 2.10 0.00 14 D 8.49 4.20 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 15 D 7.97 4.32 0.00 2.84 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 16 K 7.93 3.99 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.42 7.81 17 A 8.00 3.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.26 3.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 19 N 8.31 4.31 0.00 2.93 2.91 0.00 0.00 6.92 7.12 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 20 A 7.99 3.69 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 21 L 8.01 3.93 0.00 1.90 1.76 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.30 4.45 0.00 3.94 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 23 E 8.14 3.96 0.00 2.09 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 2.52 2.49 0.00 24 I 7.72 3.66 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.86 0.00 0.00 25 E 8.55 3.94 0.00 2.16 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 2.33 2.53 0.00 26 D 8.15 4.33 0.00 2.87 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 27 A 7.95 3.98 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 28 I 7.97 3.62 2.00 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 1.41 0.70 0.90 0.00 0.00 29 S 8.27 4.64 0.00 3.90 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 30 N 7.94 4.24 0.00 2.81 2.98 0.00 0.00 7.22 7.19 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 31 V 7.68 3.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 32 L 8.09 4.23 0.00 1.72 1.68 0.90 1.00 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 33 G 7.93 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 34 K 7.64 4.67 0.00 1.78 1.72 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 35 P 0.00 4.51 0.00 1.87 1.99 0.00 3.75 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 1.28 1.63 0.00 36 V 8.41 3.46 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 1.04 0.00 0.00 0.90 0.00 0.00 37 A 7.87 3.88 0.97 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 38 Y 7.71 4.89 0.00 2.93 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 39 I 7.83 4.67 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 1.12 0.73 0.91 0.00 0.00 40 M 9.12 4.78 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 41 S 8.46 5.26 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.01 5.01 0.00 2.88 2.66 0.00 0.00 6.89 7.13 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 43 Y 8.75 4.64 0.00 3.00 2.78 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 44 D 9.16 4.85 0.00 2.76 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 45 Y 8.84 4.95 0.00 3.20 3.04 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 46 Q 9.11 4.35 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 47 K 8.09 3.69 0.00 1.80 1.57 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.39 7.81 48 N 7.78 4.66 0.00 2.68 2.85 0.00 0.00 6.84 7.85 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 49 L 7.60 4.00 0.00 1.77 1.65 0.99 1.07 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 50 R 8.22 4.86 0.00 1.70 1.67 0.00 3.19 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 51 F 8.43 4.50 0.00 1.51 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 0.00 0.00 0.00 0.00 52 S 8.38 3.22 0.00 3.02 3.50 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 0.00 53 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.75 4.64 0.00 3.94 3.86 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 0.00 0.00 0.00 55 N 8.55 5.02 0.00 2.69 2.83 0.00 0.00 7.04 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 56 E 7.80 4.16 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 57 G 8.51 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 58 Y 9.20 5.01 0.00 3.07 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 7.90 4.79 0.00 2.50 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 60 F 9.02 5.27 0.00 3.14 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 61 V 8.06 4.31 1.71 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 0.57 0.00 0.00 0.68 0.00 0.00 62 R 8.47 4.46 0.00 1.51 1.55 0.00 3.16 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 63 L 8.57 4.96 0.00 1.48 1.11 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.83 5.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 65 S 8.78 4.57 0.00 3.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.40 4.32 1.39 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.94 0.78 0.00 0.00 67 G 8.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.62 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.31 4.23 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.01 0.92 0.00 0.00 70 N 8.03 4.64 0.00 2.88 2.82 0.00 0.00 5.80 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 71 R 8.30 3.72 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 72 S 7.89 3.99 0.00 3.88 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 73 N 8.70 4.29 0.00 2.78 2.76 0.00 0.00 7.12 6.46 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 74 N 8.12 3.15 0.00 2.47 1.76 0.00 0.00 6.67 7.16 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 75 S 8.01 3.99 0.00 3.85 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 76 S 7.95 4.03 0.00 3.97 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 77 L 8.26 4.03 0.00 1.99 1.89 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.58 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.11 4.25 0.00 2.83 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 80 K 8.18 3.96 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 81 I 8.32 3.73 1.93 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 1.49 0.71 0.82 0.00 0.00 82 T 7.78 3.82 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 1.21 0.00 0.00 83 K 7.99 3.96 0.00 2.05 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 84 I 7.86 3.74 1.99 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 1.53 0.76 0.85 0.00 0.00 85 L 8.11 3.98 0.00 1.78 1.65 0.78 0.81 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 86 S 8.18 4.40 0.00 3.99 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 87 N 8.22 4.31 0.00 2.88 2.86 0.00 0.00 7.08 8.72 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 88 H 8.38 4.50 0.00 3.23 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.59 4.69 0.00 1.91 1.71 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.00 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 91 V 7.08 3.79 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 0.93 0.00 0.00 92 K 8.49 4.27 0.00 1.89 1.81 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.49 7.81 93 P 0.00 4.31 0.00 2.20 2.14 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 94 R 7.97 4.55 0.00 1.88 2.07 0.00 3.19 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 95 R 8.45 4.85 0.00 1.76 2.18 0.00 3.18 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 96 V 7.75 4.38 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 0.65 0.00 0.00 0.84 0.00 0.00 97 Y 8.47 5.21 0.00 3.02 2.96 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 98 I 8.23 4.65 1.73 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 1.00 0.49 0.11 0.00 0.00 99 E 8.91 4.59 0.00 2.13 1.71 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 2.21 2.31 0.00 100 F 8.77 5.23 0.00 2.94 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 0.00 101 R 9.08 4.67 0.00 1.65 1.79 0.00 3.31 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 102 D 8.81 5.10 0.00 2.66 2.54 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 0.00 103 C 8.53 4.82 0.00 2.97 2.53 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 0.00 0.00 0.00 0.00 104 S 8.77 4.41 0.00 3.91 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 0.00 105 A 8.61 4.04 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 0.00 106 Q 8.13 4.29 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.45 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 107 N 8.15 5.04 0.00 2.87 2.87 0.00 0.00 6.67 8.22 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 0.00 108 F 8.02 4.68 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.85 5.27 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 0.00 110 F 8.81 4.87 0.00 3.18 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 0.00 111 S 9.17 3.34 0.00 2.72 3.29 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 0.00 112 G 8.59 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 0.00 113 S 7.62 4.77 0.00 3.85 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 0.00 114 L 8.34 4.57 0.00 1.68 1.70 0.95 0.96 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 0.00 115 F 9.72 4.04 0.00 3.31 3.26 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 0.00 116 G 7.22 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 0.00 117 L 8.62 4.22 0.00 1.68 1.64 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.61 4.21 0.00 1.99 1.72 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 2.23 1.87 0.00