NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6717 8.1476 120.6198 55.5199 33.9003 173.9484 2 E 4.8512 8.7880 122.7000 54.1627 32.9782 173.0499 3 A 4.6609 9.5801 124.3535 50.2067 22.7108 176.9834 4 K 4.8927 8.2741 120.1781 55.0989 35.3352 175.7896 5 A 4.2854 7.6629 117.0113 51.5338 23.0672 175.6050 6 I 4.9311 8.4540 123.0882 59.5198 40.8733 175.0756 7 A 4.4237 9.0617 130.0827 50.8126 19.6641 175.9311 8 R 4.2974 8.3794 120.6241 56.3057 31.7769 176.4013 9 Y 3.7444 8.2848 118.3730 59.0445 35.0189 170.0692 10 V 3.5217 8.4690 121.7271 62.3243 32.6058 175.8595 11 R 4.4949 8.4180 129.6544 55.9286 27.4691 174.6625 12 I 4.4112 7.6870 120.6197 59.4556 42.1443 173.2817 13 S 4.3202 8.6694 122.4342 57.3538 62.8534 172.3609 14 P 4.1747 0.0000 0.0000 65.6686 30.8813 178.2577 15 R 3.9897 8.0031 115.9021 59.7582 29.8708 178.7266 16 K 4.1651 8.2784 118.1024 59.3013 32.0664 179.5995 17 V 3.5583 7.7022 118.0031 65.6966 31.5947 177.6526 18 R 3.8611 8.5471 118.9176 59.4036 29.4994 177.9241 19 L 3.9276 7.2418 119.0519 58.3253 41.7560 179.0970 20 V 3.8702 7.9602 111.9506 63.9324 31.6568 178.3479 21 V 3.7454 7.8605 117.5992 66.5792 30.9725 177.4943 22 D 4.3963 8.1425 116.9124 57.1902 40.6154 178.8042 23 L 4.1055 8.8886 121.0120 58.1555 42.5910 178.7095 24 I 3.9842 7.6573 111.5713 61.4962 37.7952 175.5211 25 R 3.9458 6.9945 121.9063 58.1294 30.0503 176.5832 26 G 3.9607 8.5851 112.8587 45.4764 0.0000 173.0924 27 K 4.6281 7.8388 119.5655 54.3967 34.4771 175.9599 28 S 4.6863 8.2708 115.3300 58.1522 64.9684 174.9109 29 L 4.1889 8.2015 124.1857 58.6219 41.5035 178.9620 30 E 3.9604 8.1656 119.0950 58.8844 29.6872 177.9554 31 E 3.9901 8.0122 116.6897 60.4227 29.7089 178.5915 32 A 3.8212 8.9319 118.6607 55.4427 18.1208 180.0376 33 R 3.7097 8.0529 113.7922 58.6281 30.5451 178.8549 34 N 4.1942 7.9422 116.2852 56.4010 38.4185 177.1196 35 I 3.7162 7.5962 119.7599 64.8046 37.4630 177.8869 36 L 4.1012 8.0992 119.3458 57.9188 41.2775 179.5660 37 R 3.7444 7.6883 117.2836 58.7465 30.1032 177.3493 38 Y 5.0543 7.8518 115.0853 58.0009 38.6593 175.2328 39 T 4.5872 7.5223 113.9946 60.5060 69.2714 174.2345 40 N 4.8183 8.3450 127.5587 51.2142 37.9634 172.9552 41 K 4.5591 7.5675 119.2096 54.5061 36.5290 177.0377 42 R 3.9805 8.7539 123.5000 58.5226 30.6179 178.5488 43 G 3.8144 8.6245 104.3581 49.2410 0.0000 175.7307 44 A 3.8187 7.8589 122.5930 54.7307 18.6611 178.5843 45 Y 3.6855 8.3611 112.0954 61.0531 38.8173 178.4370 46 F 4.1195 7.9092 116.9019 60.9028 39.8955 177.7195 47 V 3.5356 8.1227 117.2215 66.1094 31.3554 177.7690 48 A 3.9606 8.9157 121.5739 55.2343 18.2703 179.5194 49 K 3.8106 8.3924 118.6716 58.8768 32.0414 178.5058 50 V 3.9709 7.5289 116.7881 62.0946 32.0288 176.6344 51 L 4.3503 7.3884 121.0992 57.1005 42.8361 177.6407 52 E 4.0141 8.3428 118.8931 58.5765 29.4679 178.2617 53 S 4.1770 7.6737 111.8076 60.3659 62.4889 175.9460 54 A 3.9615 7.7493 123.1581 55.2307 18.3294 178.5934 55 A 3.8320 7.9744 118.7842 56.6207 17.9293 179.3404 56 A 3.5040 8.1231 113.9971 55.0880 18.4550 179.2864 57 N 4.1452 8.1796 111.2379 56.2375 38.9152 177.4552 58 A 3.8688 8.1386 122.4443 54.7548 18.4988 179.3444 59 V 3.9949 7.6600 116.5270 63.6615 32.4848 177.7901 60 N 4.3803 9.2432 117.3191 55.3912 38.8793 174.6862 61 N 5.0668 8.9257 112.2142 53.0726 40.7619 174.3366 62 H 4.6058 8.0193 112.4043 54.6364 30.9618 173.8461 63 D 4.2894 8.1914 112.5198 55.0677 37.5325 173.3645 64 M 4.9420 7.7829 121.8073 52.4456 34.7064 173.8052 65 L 3.4186 8.0325 123.2242 54.7731 40.0061 174.0812 66 E 3.9447 8.7689 124.4237 59.6474 29.3451 179.3554 67 D 4.4769 8.0661 117.7472 56.5088 40.7723 176.9809 68 R 4.3747 7.8720 116.3753 57.0369 31.8877 175.7807 69 L 4.8021 7.5495 113.2565 55.6656 41.6943 175.3813 70 Y 4.9055 8.8685 118.9791 55.6897 42.5289 174.4908 71 V 3.8387 8.5428 119.0623 61.8657 29.9265 176.4818 72 K 3.3875 7.8372 126.4928 58.4602 32.8323 176.1935 73 A 4.7939 8.2603 119.8939 50.6167 23.0994 175.2519 74 A 4.8600 8.4148 122.3024 50.8628 22.2364 175.2060 75 Y 5.0280 8.1831 120.1381 55.6286 42.0190 174.2157 76 V 4.9067 8.4970 120.0236 60.2776 34.0809 174.7175 77 D 4.9420 9.2657 124.5360 52.8103 44.1270 174.4464 78 E 4.6246 8.5475 120.7341 54.8562 30.9842 175.9695 79 G 3.8458 8.9095 116.3022 43.9861 0.0000 173.6362 80 P 4.8318 0.0000 0.0000 62.0159 30.3876 175.3052 81 A 4.6877 8.1070 117.1303 50.8347 22.4420 176.3380 82 L 4.1648 8.8224 122.9980 54.2715 42.7102 176.6757 83 K 4.6494 8.6487 125.0097 55.6418 32.5568 176.6025 84 R 4.7275 8.7926 124.9054 54.0643 33.2264 176.0346 85 V 4.0933 8.2996 122.1603 62.7245 32.8519 175.2478 86 L 4.6660 8.9907 128.5929 52.4335 44.6933 173.7658 87 P 4.5979 0.0000 0.0000 63.0222 31.5300 175.9623 88 R 4.7745 8.4406 122.5420 53.7675 34.1602 174.1151 89 A 3.9591 8.6823 125.3297 54.1700 18.8825 177.7717 90 R 3.7155 8.8561 119.5176 58.2767 26.8792 176.4784 91 G 4.0337 8.2973 99.8325 46.4221 0.0000 175.0494 92 R 3.6689 6.9782 118.0984 54.8698 30.5322 172.6304 93 A 3.8303 7.9062 134.7525 52.0078 16.7988 177.0224 94 D 4.9416 8.6447 122.5605 53.6433 44.1089 176.0881 95 I 5.1172 7.9138 111.6990 58.1831 39.3168 174.5123 96 I 4.1346 8.3030 129.1752 60.4889 39.3730 174.1396 97 K 4.9408 8.4904 128.4254 54.9527 34.6121 175.7256 98 K 4.2596 9.2598 125.7175 55.8858 32.7468 177.0143 99 R 4.4700 8.6403 124.5776 56.3238 31.6717 175.5142 100 T 4.9110 8.3584 115.4527 60.5667 70.9605 172.8289 101 S 4.8805 9.3578 124.1828 57.1631 66.8070 173.0255 102 H 5.0215 8.9213 118.2065 54.3904 31.4252 172.6601 103 I 4.5510 8.8964 125.6007 60.0566 39.2737 175.2626 104 T 4.8078 8.2072 122.8952 61.5506 71.9644 173.0986 105 V 4.7173 8.4185 126.2285 60.7915 34.8671 174.1062 106 I 4.7344 9.0370 121.0417 59.1772 40.6926 174.8488 107 L 5.5651 7.9928 125.5738 52.7975 45.2433 175.2484 108 G 4.5142 8.1847 103.2853 44.5566 0.0000 172.9533 109 E 4.0852 8.8788 123.2374 56.9906 30.1898 176.5850 110 K 3.6682 9.0411 124.6940 58.1520 32.4380 176.0077 111 H 4.8137 8.0728 111.9737 54.6673 31.9214 174.9028 112 G 4.0355 8.4746 112.0998 43.3930 0.0000 172.8492 113 K 4.1477 7.9111 122.0439 57.2917 32.9395 177.6518 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 8.15 4.67 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 2 E 8.79 4.85 0.00 2.09 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 2.18 2.39 0.00 3 A 9.58 4.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.89 0.00 1.61 1.70 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 5 A 7.66 4.29 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 6 I 8.45 4.93 1.80 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 1.19 0.65 0.84 0.00 0.00 7 A 9.06 4.42 1.18 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 0.00 0.00 8 R 8.38 4.30 0.00 1.58 1.35 0.00 3.01 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.45 0.00 9 Y 8.28 3.74 0.00 3.17 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 10 V 8.47 3.52 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 -0.26 0.00 0.00 0.82 0.00 0.00 11 R 8.42 4.49 0.00 1.84 1.85 0.00 3.50 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 12 I 7.69 4.41 1.93 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.88 0.00 0.00 13 S 8.67 4.32 0.00 3.92 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 14 P 0.00 4.17 0.00 2.19 2.09 0.00 3.97 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 15 R 8.00 3.99 0.00 1.79 2.06 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 16 K 8.28 4.17 0.00 2.03 1.89 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.70 3.56 2.12 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 1.18 0.00 0.00 1.05 0.00 0.00 18 R 8.55 3.86 0.00 2.03 1.95 0.00 3.19 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 19 L 7.24 3.93 0.00 1.71 1.75 0.94 1.00 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 20 V 7.96 3.87 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 0.81 0.00 0.00 0.99 0.00 0.00 21 V 7.86 3.75 2.23 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 1.04 0.00 0.00 0.98 0.00 0.00 22 D 8.14 4.40 0.00 2.91 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 23 L 8.89 4.11 0.00 1.81 1.67 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.66 3.98 1.86 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 1.67 0.62 0.90 0.00 0.00 25 R 6.99 3.95 0.00 1.75 1.91 0.00 3.31 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 26 G 8.59 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 27 K 7.84 4.63 0.00 1.99 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.38 7.81 28 S 8.27 4.69 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 29 L 8.20 4.19 0.00 1.97 1.75 0.91 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 30 E 8.17 3.96 0.00 2.08 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 2.39 2.40 0.00 31 E 8.01 3.99 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 A 8.93 3.82 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 33 R 8.05 3.71 0.00 1.96 1.94 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 34 N 7.94 4.19 0.00 2.93 2.90 0.00 0.00 7.03 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 35 I 7.60 3.72 2.06 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 1.55 0.60 0.93 0.00 0.00 36 L 8.10 4.10 0.00 1.63 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.69 3.74 0.00 1.62 1.72 0.00 2.99 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 38 Y 7.85 5.05 0.00 3.03 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 39 T 7.52 4.59 4.49 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 1.27 0.00 0.00 40 N 8.35 4.82 0.00 2.74 2.73 0.00 0.00 6.89 6.68 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 41 K 7.57 4.56 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 42 R 8.75 3.98 0.00 1.75 2.00 0.00 3.30 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 43 G 8.62 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 44 A 7.86 3.82 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 45 Y 8.36 3.69 0.00 2.75 2.48 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 0.00 0.00 0.00 0.00 46 F 7.91 4.12 0.00 3.27 3.02 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 47 V 8.12 3.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 48 A 8.92 3.96 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 49 K 8.39 3.81 0.00 1.36 1.65 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.31 1.31 7.81 50 V 7.53 3.97 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 0.86 0.00 0.00 0.89 0.00 0.00 51 L 7.39 4.35 0.00 1.72 1.89 0.88 0.83 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 52 E 8.34 4.01 0.00 2.23 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 2.27 2.33 0.00 53 S 7.67 4.18 0.00 4.00 3.84 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 54 A 7.75 3.96 1.25 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 0.00 0.00 0.00 55 A 7.97 3.83 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 56 A 8.12 3.50 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 57 N 8.18 4.15 0.00 2.92 2.90 0.00 0.00 7.07 7.42 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 58 A 8.14 3.87 1.36 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 0.00 0.00 59 V 7.66 3.99 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 0.79 0.00 0.00 0.97 0.00 0.00 60 N 9.24 4.38 0.00 2.78 2.92 0.00 0.00 7.05 7.67 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 61 N 8.93 5.07 0.00 2.91 2.81 0.00 0.00 6.74 7.68 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 62 H 8.02 4.61 0.00 3.29 3.27 0.00 5.94 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 63 D 8.19 4.29 0.00 2.86 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 64 M 7.78 4.94 0.00 1.99 2.16 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 2.71 2.66 0.00 65 L 8.03 3.42 0.00 1.81 1.63 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.77 3.94 0.00 2.15 2.25 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 2.38 2.33 0.00 67 D 8.07 4.48 0.00 2.68 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 68 R 7.87 4.37 0.00 2.03 2.01 0.00 3.35 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 69 L 7.55 4.80 0.00 1.84 1.88 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.87 4.91 0.00 3.23 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 71 V 8.54 3.84 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 0.80 0.00 0.00 0.92 0.00 0.00 72 K 7.84 3.39 0.00 1.47 1.83 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.44 7.81 73 A 8.26 4.79 1.23 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 74 A 8.41 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.18 5.03 0.00 2.97 3.02 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 76 V 8.50 4.91 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 0.96 0.00 0.00 77 D 9.27 4.94 0.00 2.67 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 78 E 8.55 4.62 0.00 1.94 1.81 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 2.18 2.26 0.00 79 G 8.91 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 80 P 0.00 4.83 0.00 2.22 2.03 0.00 4.07 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 2.10 2.12 0.00 81 A 8.11 4.69 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 82 L 8.82 4.16 0.00 1.63 1.63 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.65 4.65 0.00 1.64 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.46 7.81 84 R 8.79 4.73 0.00 1.69 1.80 0.00 3.28 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 85 V 8.30 4.09 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 0.73 0.00 0.00 0.93 0.00 0.00 86 L 8.99 4.67 0.00 1.72 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.60 0.00 1.97 1.98 0.00 3.67 0.00 0.00 3.58 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 88 R 8.44 4.77 0.00 1.92 1.71 0.00 3.26 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 89 A 8.68 3.96 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 90 R 8.86 3.72 0.00 1.98 2.05 0.00 3.36 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 91 G 8.30 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 0.00 0.00 0.00 0.00 92 R 6.98 3.67 0.00 1.93 1.86 0.00 3.32 0.00 0.00 3.42 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 93 A 7.91 3.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.64 4.94 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.91 5.12 1.87 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 1.21 1.68 0.91 0.00 0.00 96 I 8.30 4.13 1.87 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 1.41 1.58 0.99 0.00 0.00 97 K 8.49 4.94 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.43 7.81 98 K 9.26 4.26 0.00 1.66 1.80 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 99 R 8.64 4.47 0.00 1.74 1.84 0.00 3.50 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 100 T 8.36 4.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 101 S 9.36 4.88 0.00 3.69 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 0.00 102 H 8.92 5.02 0.00 3.00 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.90 4.55 1.81 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 1.20 0.62 0.83 0.00 0.00 104 T 8.21 4.81 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 0.81 0.00 0.00 105 V 8.42 4.72 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.85 0.00 0.00 106 I 9.04 4.73 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 1.29 0.49 0.85 0.00 0.00 107 L 7.99 5.57 0.00 1.59 1.60 0.83 0.78 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 0.00 108 G 8.18 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.09 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 2.59 2.36 0.00 110 K 9.04 3.67 0.00 1.65 1.63 0.00 1.14 0.00 0.00 0.97 0.00 0.00 2.81 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.29 1.53 7.81 111 H 8.07 4.81 0.00 3.24 3.13 0.00 5.52 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 0.00 112 G 8.47 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 0.00 113 K 7.91 4.15 0.00 1.85 1.80 0.00 1.46 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.50 7.81