NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2397 8.3101 120.1344 55.9078 32.8272 174.7728 14 A 3.8292 8.4588 130.0748 51.8318 18.2283 175.4091 15 K 4.6231 7.9742 114.2330 52.9206 36.5620 175.7265 16 T 4.0524 8.3211 114.1232 61.9954 70.7030 175.6937 17 R 4.0313 8.5293 121.4011 59.1762 30.1433 179.7086 18 S 4.1487 8.0230 115.1920 61.6245 63.1254 176.4968 19 S 4.2058 7.9385 116.4913 61.6422 62.3874 176.7171 20 R 3.9683 7.9146 120.5780 58.5712 29.8918 178.1347 21 A 4.4311 7.6643 118.2449 52.2362 19.1789 177.9797 22 G 4.0154 7.8411 104.7750 45.3908 0.0000 173.2807 23 L 4.9795 8.0534 118.1362 52.6746 44.6975 176.9777 24 Q 4.2770 9.5916 121.0209 58.1608 29.2817 177.2074 25 F 4.1096 8.5953 116.0746 56.2805 39.7923 174.2166 26 P 4.4772 0.0000 0.0000 62.1354 31.2936 177.2451 27 V 3.7243 8.6267 124.5263 66.2178 31.6976 177.9159 28 G 3.6699 8.1428 104.8495 47.7656 0.0000 175.4888 29 R 3.8952 7.9133 120.4133 59.2684 30.2787 178.3378 30 V 3.6201 7.9206 118.1362 66.4299 31.4306 177.3981 31 H 4.1427 8.5550 117.9721 59.4625 29.7713 177.3080 32 R 3.9945 8.0154 120.1152 59.3279 29.6530 178.4536 33 L 4.1506 8.1829 118.6219 57.5253 41.9716 178.9937 34 L 4.3939 8.2721 119.2659 57.8540 41.2710 179.8394 35 R 4.1368 8.0399 117.8342 59.0262 29.9905 178.8437 36 K 4.2726 8.0495 116.1563 58.5884 32.7646 178.4642 37 G 3.3344 7.6191 104.8480 44.4612 0.0000 172.9601 38 N 4.1319 7.4350 116.8650 54.6373 36.3564 174.8456 39 Y 4.3962 7.9371 116.0089 60.1004 39.2996 176.0921 40 A 4.6709 7.5627 119.7732 50.4957 22.3288 176.1759 41 E 3.9140 8.9321 120.4432 58.7779 29.6822 177.1515 42 R 4.7571 7.2436 112.1938 54.3386 33.9575 175.0624 43 V 4.2508 8.1267 118.5149 61.2778 32.9518 174.9118 44 G 3.8343 8.6295 116.0887 45.3188 0.0000 173.6358 45 A 4.3637 8.5003 122.2412 54.7279 18.9061 180.0389 46 G 3.7707 8.0734 101.8126 47.0059 0.0000 175.7044 47 A 3.9937 7.4196 124.0851 54.7871 18.4540 177.9380 48 P 4.2789 0.0000 0.0000 65.2514 31.4071 178.8583 49 V 3.5599 7.5705 118.3016 66.1018 31.7360 176.7920 50 Y 3.8675 8.4498 119.6572 60.8597 38.5433 178.1652 51 L 4.0823 8.3078 120.8023 58.0605 42.1796 178.6558 52 A 4.0523 8.1723 120.6424 55.0507 18.2478 179.4304 53 A 3.8418 8.1243 119.3124 55.2766 18.5705 180.0118 54 V 3.5263 7.7874 116.6952 66.1751 31.6100 178.3275 55 L 3.8960 8.0069 118.7949 57.4566 41.3850 179.0199 56 E 2.5412 7.6090 119.2754 58.9596 29.4628 178.1277 57 Y 4.0236 7.9144 119.5398 60.9003 38.8570 178.2778 58 L 3.5375 7.7065 119.2463 57.5990 41.6381 179.5945 59 T 3.7725 7.6477 115.6052 66.5205 68.3765 176.1714 60 A 3.9089 7.8647 122.6213 55.2101 18.4807 179.1067 61 E 3.6739 7.8606 117.7069 59.5794 29.5788 179.2339 62 I 3.6859 7.5894 119.5637 64.3962 37.1696 178.5287 63 L 3.9662 8.3739 120.2888 57.4779 41.3883 178.8557 64 E 3.8653 8.4690 119.7810 59.7056 29.5674 179.1717 65 L 4.0284 7.8738 118.0672 57.4989 41.6587 179.4312 66 A 4.2739 8.3471 121.3262 54.7144 18.2960 179.8588 67 G 3.5278 8.5120 104.7419 48.1588 0.0000 175.3758 68 N 4.2421 8.1473 119.3228 56.1951 38.1186 177.3631 69 A 4.1284 7.9767 121.5754 54.8657 18.3100 179.6298 70 A 3.5403 7.8404 119.5509 55.1362 18.4448 179.3615 71 R 3.7743 8.0619 117.2916 60.0988 29.8900 178.1765 72 D 4.5969 8.0148 117.6665 57.1407 40.9548 177.9747 73 N 4.6904 7.4604 113.1997 52.1427 39.2813 174.6954 74 K 3.9102 8.7429 118.8977 57.4198 29.4681 176.0741 75 K 4.7392 8.2759 115.9893 55.1060 36.1475 176.8202 76 T 4.4070 8.4674 109.0408 61.2298 70.2919 173.9020 77 R 4.4678 7.7133 122.8152 54.2009 31.4035 175.2902 78 I 3.9548 8.4557 127.0147 61.4270 37.6982 175.5297 79 I 4.4655 8.1483 118.4235 58.1197 40.1852 174.6077 80 P 4.2379 0.0000 0.0000 65.6250 30.8456 178.6751 81 R 3.8448 7.9520 117.0856 60.0401 29.8027 178.1411 82 H 4.2974 7.8823 115.2876 58.7567 28.7708 177.8110 83 L 3.9797 7.8105 120.4843 57.6479 41.4098 179.1102 84 Q 3.9443 8.3812 119.7855 59.2420 29.0445 178.3663 85 L 3.9462 8.1271 119.7968 57.6274 41.4289 179.1039 86 A 3.9564 7.9447 119.8213 55.3950 18.4528 179.6639 87 V 3.6929 7.6583 116.0378 66.2657 31.4975 178.5994 88 R 3.9472 8.0662 116.5887 59.0376 30.0333 177.3912 89 N 4.5346 8.0747 113.0778 53.8772 39.0929 174.6555 90 D 4.8333 7.6764 119.5177 52.0122 43.2441 175.6247 91 E 3.9132 8.7924 127.6921 59.7294 29.7122 178.7055 92 E 3.9912 8.0715 117.7840 59.4717 29.6752 179.2174 93 L 4.0077 8.3099 119.0420 57.6732 41.3894 179.0723 94 N 4.3087 8.0324 116.4319 56.3603 39.2670 176.6850 95 K 4.0623 7.9378 120.5620 59.5276 32.1871 178.4213 96 L 4.0232 7.7944 119.1638 57.4659 42.1664 178.0516 97 L 4.8260 7.8353 117.8611 54.4222 42.6457 178.9414 98 G 3.6690 7.9884 110.7738 47.9683 0.0000 175.5814 99 R 4.5545 7.9291 116.9987 55.6324 30.5962 175.3484 100 V 4.3470 7.5728 117.6283 61.2438 33.3683 174.9846 101 T 4.4295 8.3237 123.1062 61.7911 69.7894 174.1245 102 I 4.0312 8.2810 128.0022 59.8754 37.3432 175.8590 103 A 4.0807 8.4903 128.8087 53.3533 18.8043 176.2910 104 Q 3.4384 8.5430 117.2408 57.0048 26.5450 175.3450 105 G 3.7964 8.3461 106.6890 44.8472 0.0000 176.4175 106 G 3.7646 7.9921 107.8252 46.1642 0.0000 172.2487 107 V 4.5642 7.9256 112.1428 58.9974 35.6740 175.1313 108 L 4.1172 8.2537 121.2884 53.8062 42.0184 175.5670 109 P 4.1556 0.0000 0.0000 63.1441 31.3866 175.9470 110 N 4.5747 8.4808 121.8707 53.0563 40.4954 173.1938 111 I 4.5133 8.0704 126.8022 59.1319 39.7369 175.8266 112 Q 4.1672 8.4954 124.2964 55.5420 29.5504 177.2742 113 S 4.1143 8.9481 117.6711 61.4888 62.9237 176.8100 114 V 3.7736 7.7291 118.3807 63.2842 31.2264 176.4600 115 L 4.3758 7.8026 119.7639 55.2542 42.1829 177.0809 116 L 4.1840 7.5433 119.2895 53.4280 42.1378 175.1027 117 P 4.0904 0.0000 0.0000 64.0272 31.8577 176.5031 118 K 4.1927 8.6595 119.9520 57.4716 33.5663 175.3184 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 13 K 8.31 4.24 0.00 1.77 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 14 A 8.46 3.83 1.24 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 15 K 7.97 4.62 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 16 T 8.32 4.05 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 1.22 0.00 0.00 17 R 8.53 4.03 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.02 4.15 0.00 3.89 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 19 S 7.94 4.21 0.00 4.09 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 20 R 7.91 3.97 0.00 2.01 2.05 0.00 3.16 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 21 A 7.66 4.43 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 22 G 7.84 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 0.00 0.00 0.00 23 L 8.05 4.98 0.00 1.60 1.80 0.94 0.84 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 24 Q 9.59 4.28 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 25 F 8.60 4.11 0.00 3.06 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 26 P 0.00 4.48 0.00 2.26 2.20 0.00 3.67 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 27 V 8.63 3.72 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 1.14 0.00 0.00 1.03 0.00 0.00 28 G 8.14 3.67 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 0.00 0.00 0.00 29 R 7.91 3.90 0.00 1.90 2.09 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 30 V 7.92 3.62 2.26 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 0.98 0.00 0.00 1.09 0.00 0.00 31 H 8.55 4.14 0.00 3.42 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.02 3.99 0.00 1.98 2.06 0.00 3.16 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 33 L 8.18 4.15 0.00 1.87 1.81 0.97 1.17 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 34 L 8.27 4.39 0.00 1.97 1.82 0.88 0.56 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 35 R 8.04 4.14 0.00 1.90 2.00 0.00 3.14 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 1.73 2.02 0.00 36 K 8.05 4.27 0.00 1.93 2.12 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 G 7.62 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.43 4.13 0.00 2.67 2.79 0.00 0.00 6.95 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 39 Y 7.94 4.40 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.56 4.67 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 41 E 8.93 3.91 0.00 1.95 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 2.31 2.36 0.00 42 R 7.24 4.76 0.00 1.87 1.79 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 43 V 8.13 4.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 44 G 8.63 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 45 A 8.50 4.36 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 46 G 8.07 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 47 A 7.42 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.28 0.00 2.41 2.24 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.64 0.00 49 V 7.57 3.56 2.32 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 1.03 0.00 0.00 1.00 0.00 0.00 50 Y 8.45 3.87 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 51 L 8.31 4.08 0.00 1.88 1.78 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.17 4.05 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 53 A 8.12 3.84 1.27 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 0.00 0.00 54 V 7.79 3.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.10 0.00 0.00 55 L 8.01 3.90 0.00 1.69 1.55 1.02 0.68 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 56 E 7.61 2.54 0.00 1.71 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 2.22 2.31 0.00 57 Y 7.91 4.02 0.00 3.02 3.10 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 0.00 0.00 0.00 58 L 7.71 3.54 0.00 1.67 1.60 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.65 3.77 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 1.34 0.00 0.00 60 A 7.86 3.91 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 61 E 7.86 3.67 0.00 1.51 1.76 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 2.12 2.27 0.00 62 I 7.59 3.69 1.83 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 1.45 0.65 0.89 0.00 0.00 63 L 8.37 3.97 0.00 1.62 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.47 3.87 0.00 2.07 2.18 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 2.29 2.39 0.00 65 L 7.87 4.03 0.00 1.75 1.68 0.90 0.77 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 66 A 8.35 4.27 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 67 G 8.51 3.53 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 0.00 0.00 0.00 68 N 8.15 4.24 0.00 2.95 2.89 0.00 0.00 6.99 6.83 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 69 A 7.98 4.13 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 70 A 7.84 3.54 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 71 R 8.06 3.77 0.00 2.02 2.04 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 72 D 8.01 4.60 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.46 4.69 0.00 2.79 2.87 0.00 0.00 7.12 7.49 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 74 K 8.74 3.91 0.00 1.88 1.98 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.54 7.81 75 K 8.28 4.74 0.00 1.74 1.66 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.54 7.81 76 T 8.47 4.41 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 1.21 0.00 0.00 77 R 7.71 4.47 0.00 1.78 1.88 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 78 I 8.46 3.95 1.90 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 1.48 0.66 0.95 0.00 0.00 79 I 8.15 4.47 1.81 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 1.13 0.38 0.91 0.00 0.00 80 P 0.00 4.24 0.00 2.35 2.22 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 81 R 7.95 3.84 0.00 1.85 1.79 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 82 H 7.88 4.30 0.00 3.38 3.47 0.00 5.69 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 83 L 7.81 3.98 0.00 1.83 1.72 0.93 0.74 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 84 Q 8.38 3.94 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 85 L 8.13 3.95 0.00 1.75 1.71 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.94 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.66 3.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 88 R 8.07 3.95 0.00 1.83 1.98 0.00 3.42 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 89 N 8.07 4.53 0.00 2.86 2.86 0.00 0.00 6.81 8.14 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 90 D 7.68 4.83 0.00 2.82 2.50 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 91 E 8.79 3.91 0.00 2.07 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 2.39 2.42 0.00 92 E 8.07 3.99 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 2.41 2.41 0.00 93 L 8.31 4.01 0.00 1.69 1.70 0.88 0.30 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 94 N 8.03 4.31 0.00 2.98 3.09 0.00 0.00 7.18 6.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.94 4.06 0.00 1.90 1.95 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.79 4.02 0.00 1.67 1.86 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.84 4.83 0.00 1.81 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.99 3.67 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 0.00 0.00 0.00 99 R 7.93 4.55 0.00 1.79 1.92 0.00 3.33 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 100 V 7.57 4.35 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 0.80 0.00 0.00 0.94 0.00 0.00 101 T 8.32 4.43 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 1.21 0.00 0.00 102 I 8.28 4.03 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 1.35 0.49 0.91 0.00 0.00 103 A 8.49 4.08 1.24 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 0.00 104 Q 8.54 3.44 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 105 G 8.35 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.99 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 0.00 107 V 7.93 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.25 4.12 0.00 1.63 1.60 0.92 1.07 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 0.00 109 P 0.00 4.16 0.00 2.04 2.02 0.00 3.71 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 2.08 0.00 110 N 8.48 4.57 0.00 2.64 2.67 0.00 0.00 7.08 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 0.00 111 I 8.07 4.51 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 1.41 0.77 0.91 0.00 0.00 112 Q 8.50 4.17 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 113 S 8.95 4.11 0.00 4.00 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 0.00 114 V 7.73 3.77 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 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.80 4.38 0.00 1.74 1.75 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.54 4.18 0.00 1.78 1.60 0.92 0.80 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 0.00 117 P 0.00 4.09 0.00 2.03 2.02 0.00 3.81 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 2.04 2.11 0.00 118 K 8.66 4.19 0.00 2.02 1.87 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81