NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2138 8.3149 120.0794 56.2394 33.2955 176.1262 12 R 4.2003 7.2607 116.3490 54.9117 33.5362 174.0621 13 Q 5.0672 8.6506 115.3816 57.7823 29.0906 172.4691 14 V 4.1065 8.2963 117.6422 64.9428 33.3387 175.6472 15 A 4.7484 8.5866 129.1959 52.3066 16.3154 177.6611 16 S 5.6340 7.0311 116.5601 55.0921 64.2638 173.9864 17 G 4.4260 8.1449 119.8399 46.0584 0.0000 169.5832 18 R 5.0269 8.8651 120.5505 54.6226 34.4709 174.8130 19 A 5.0510 7.9300 120.4657 51.2034 23.1075 175.0125 20 Y 4.9956 8.7482 116.4361 56.6453 43.1532 175.4822 21 I 4.7885 8.4149 120.0193 60.7507 39.5796 172.4444 22 H 5.3692 9.5935 124.1333 54.6712 30.2000 173.9424 23 A 4.9248 8.0212 128.4179 51.9991 21.3487 175.3934 24 S 4.5589 7.8433 107.9536 58.3524 65.1574 177.8605 25 Y 4.3439 8.8689 121.4330 59.8494 37.8956 176.5775 26 N 4.7822 7.4512 116.3752 54.0207 40.6831 174.5199 27 N 4.8627 7.6106 110.4815 53.8790 41.3633 173.1261 28 T 4.5367 8.2269 123.4049 62.3935 70.5487 173.8010 29 I 4.8152 8.6984 126.0729 59.2642 42.0920 174.0632 30 V 4.6493 8.3426 127.7645 61.9533 34.0377 174.8415 31 T 4.9903 8.3675 120.9912 62.0729 70.0292 171.8894 32 I 4.2737 8.3581 124.3989 61.3596 38.7567 174.9677 33 T 5.0147 8.7733 120.2103 60.3003 71.7864 172.6991 34 D 4.8803 9.0340 124.6386 52.1846 40.1378 175.4689 35 P 4.2968 0.0000 0.0000 65.1769 31.4023 176.8129 36 D 4.9326 8.4980 116.7796 52.8099 39.9016 176.5794 37 G 4.3664 8.4552 114.1082 47.0129 0.0000 174.6825 38 N 4.1586 7.6628 118.0695 52.3139 38.9043 173.3158 39 P 4.5885 0.0000 0.0000 63.3853 31.2172 174.1752 40 I 4.5885 7.7417 116.3877 61.5716 38.9586 175.7040 41 T 4.6865 7.4571 109.0051 60.4791 71.8079 171.8584 42 W 4.9997 8.6959 121.3662 55.1976 31.4752 173.7445 43 S 4.5171 8.0475 113.0280 56.6325 66.2098 172.6973 44 S 5.0999 8.5320 118.2111 57.7931 62.8390 178.0000 45 G 3.8834 7.9691 108.0733 48.7219 0.0000 176.3118 46 G 3.9193 8.1498 107.9623 48.4366 0.0000 175.0677 47 V 3.5028 7.7561 119.4138 65.6002 31.7026 176.5171 48 I 3.9968 6.7108 119.4107 60.1431 39.3497 175.3232 49 G 3.3880 8.8894 111.4866 47.1413 0.0000 175.4641 50 Y 3.7128 9.0085 116.4256 59.3507 35.7418 171.9911 51 K 4.5016 8.8283 126.9363 57.3038 34.7723 177.4516 52 G 4.0986 7.9960 102.9396 46.1638 0.0000 174.1682 53 S 4.0256 9.2422 114.8970 61.4242 63.3257 175.9754 54 R 4.0175 7.9425 113.3436 56.8396 29.3401 177.0337 55 K 4.5180 8.1968 119.6799 56.8258 33.4777 177.9792 56 G 3.5948 7.7199 107.5751 46.7083 0.0000 174.3183 57 T 3.4855 6.7323 111.4222 56.9986 70.4172 171.8278 58 P 4.3994 0.0000 0.0000 66.6163 31.0494 177.7808 59 Y 4.2510 8.2566 118.0211 60.6030 38.7792 177.4077 60 A 3.8824 8.4888 120.4808 55.0339 18.3861 179.1889 61 A 3.8870 8.2160 117.5305 55.1845 18.5563 179.5770 62 Q 3.8608 8.1217 117.8702 59.5113 29.1467 178.7897 63 L 3.6487 8.1752 119.9594 57.5762 41.3911 179.2789 64 A 4.3301 8.2343 121.1799 53.7942 18.0701 179.0861 65 A 4.1508 7.5447 118.8569 54.5303 19.4114 179.2763 66 L 3.8845 8.3985 118.6000 58.2044 41.7346 179.4974 67 D 4.2221 8.6335 117.7251 57.1194 40.9390 177.4584 68 A 4.3904 7.4208 116.9955 52.4655 18.2852 176.7305 69 A 4.5044 7.4915 120.8219 54.6370 19.8704 179.5915 70 K 3.8331 8.9635 115.8955 59.8840 32.2242 179.5837 71 K 4.3260 8.1240 113.7615 56.8367 31.5349 176.7928 72 A 4.5189 8.1538 121.4643 53.9792 20.7807 179.6152 73 M 4.0296 8.0942 112.1978 58.0276 31.1230 177.6814 74 A 4.3309 7.5059 119.5876 53.6338 18.9313 177.2123 75 Y 4.5642 8.8775 114.7500 57.3562 38.9710 175.9608 76 G 4.0922 7.8599 106.5511 47.0065 0.0000 174.0719 77 M 4.6914 8.0688 118.1613 54.1148 33.5115 174.8553 78 Q 4.5392 8.0121 121.3413 57.0472 34.0529 174.4961 79 S 5.2870 8.2334 113.3145 58.4543 64.4577 173.4505 80 V 4.9572 8.2294 124.0924 61.9730 35.3217 172.4920 81 D 5.2691 8.5742 122.1597 52.4378 44.2031 175.4203 82 V 4.4103 7.9368 119.6508 61.4187 34.2316 176.1291 83 I 5.1868 7.9857 127.3305 58.4130 38.6876 174.2459 84 V 4.0981 7.8964 118.8707 61.5038 33.3977 175.2404 85 R 4.3774 8.8497 122.4132 56.0652 35.0069 171.6799 86 G 3.6949 9.0890 117.4204 45.2416 0.0000 172.9845 87 T 3.7171 8.2848 121.3836 63.8575 68.9014 173.9441 88 G 3.7046 7.9774 112.4825 43.4571 0.0000 171.9241 89 A 3.8804 7.7115 123.7582 53.0498 17.8459 177.9211 90 G 3.7682 8.5591 113.4251 47.7139 0.0000 173.7885 91 R 3.8983 7.8742 120.5077 59.4809 30.6044 178.5555 92 E 3.8969 8.3280 117.7142 60.1574 29.1245 178.3699 93 Q 3.9548 8.0000 119.0242 59.1402 28.8895 178.1190 94 A 4.1238 8.0740 120.9960 55.6696 18.0749 179.2877 95 I 3.5774 7.8806 117.2454 64.9692 36.9631 178.3562 96 R 4.0724 8.7709 118.5797 59.5614 29.7080 179.0794 97 A 3.9024 9.0467 121.3512 54.9160 18.0657 179.4771 98 L 4.0947 7.7236 116.8200 57.1786 42.1105 178.6953 99 Q 4.1185 7.5480 115.8552 59.6471 28.5955 178.7547 100 A 4.2228 7.6268 122.1785 54.1401 18.2790 180.0742 101 S 4.2303 7.3567 109.7048 58.6003 61.5554 175.1230 102 G 3.8857 8.8205 105.9052 44.8676 0.0000 174.1372 103 L 4.6131 7.4767 118.7764 52.2507 43.4163 176.0437 104 Q 4.1999 8.0467 121.5089 56.0227 29.6377 176.1771 105 V 3.7996 8.3398 117.4202 61.4989 32.0760 176.2275 106 K 4.3132 9.1059 126.2454 58.5980 32.1146 177.2221 107 S 4.7241 7.7571 112.0245 56.7756 67.1354 173.2876 108 I 4.5070 7.9876 118.0990 61.2169 38.2009 175.6832 109 V 3.5157 7.2296 122.6162 60.8553 33.3224 174.1324 110 D 5.2358 8.4883 124.3781 51.4259 44.3415 175.0833 111 D 4.7269 8.4298 122.1329 52.9563 40.8602 173.8281 112 T 4.1841 7.9812 115.7636 60.8838 68.4146 173.3511 113 P 4.2134 0.0000 0.0000 62.9341 30.3469 176.0513 114 V 4.1186 7.9925 124.2881 59.5087 32.1166 174.5666 115 P 4.4508 0.0000 0.0000 62.1948 32.1985 175.1920 116 H 4.7208 8.2888 114.3134 56.1858 29.3825 175.2453 117 N 4.1088 8.1236 112.4290 54.1694 34.5277 174.4873 118 G 3.7663 7.7359 105.9171 46.1875 0.0000 172.1589 119 C 4.1746 7.7769 120.0532 57.4825 31.4731 172.0980 120 R 3.8369 8.6438 128.7916 55.6381 29.2650 173.9757 121 P 4.1789 0.0000 0.0000 62.0947 31.8444 176.7116 122 K 4.2568 8.5905 121.3594 56.1648 33.8330 177.6128 123 K 4.0226 8.7455 119.3753 59.6473 32.2064 177.8195 124 K 3.8182 8.3173 117.9055 59.4839 31.9799 177.3657 125 F 4.3613 8.0843 114.8878 58.6138 39.4162 175.9386 126 R 4.1925 7.9326 124.6698 56.4069 29.8589 176.1689 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 11 K 8.31 4.21 0.00 1.72 1.85 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.36 7.81 12 R 7.26 4.20 0.00 1.93 1.88 0.00 3.40 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 13 Q 8.65 5.07 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 14 V 8.30 4.11 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 0.87 0.00 0.00 0.99 0.00 0.00 15 A 8.59 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.03 5.63 0.00 3.94 3.87 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 0.00 0.00 0.00 17 G 8.14 4.43 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 0.00 18 R 8.87 5.03 0.00 2.00 1.82 0.00 3.28 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 19 A 7.93 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.75 5.00 0.00 2.89 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 21 I 8.41 4.79 1.90 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 1.14 1.12 0.93 0.00 0.00 22 H 9.59 5.37 0.00 3.27 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.02 4.92 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 24 S 7.84 4.56 0.00 3.78 3.87 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 0.00 0.00 0.00 25 Y 8.87 4.34 0.00 2.98 2.95 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 0.00 26 N 7.45 4.78 0.00 2.66 2.86 0.00 0.00 6.72 8.16 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 27 N 7.61 4.86 0.00 2.62 2.67 0.00 0.00 7.32 7.70 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 28 T 8.23 4.54 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 1.21 0.00 0.00 29 I 8.70 4.82 1.97 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 1.17 1.61 1.04 0.00 0.00 30 V 8.34 4.65 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 1.02 0.00 0.00 1.04 0.00 0.00 31 T 8.37 4.99 4.21 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 1.02 0.00 0.00 32 I 8.36 4.27 2.03 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 1.16 0.92 0.98 0.00 0.00 33 T 8.77 5.01 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 1.38 0.00 0.00 34 D 9.03 4.88 0.00 2.88 2.87 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 0.00 0.00 0.00 35 P 0.00 4.30 0.00 2.07 2.21 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.35 0.00 36 D 8.50 4.93 0.00 2.74 2.72 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 37 G 8.46 4.37 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 0.00 38 N 7.66 4.16 0.00 2.92 2.80 0.00 0.00 6.83 7.77 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 39 P 0.00 4.59 0.00 2.16 2.05 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 40 I 7.74 4.59 1.90 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 1.27 0.68 0.69 0.00 0.00 41 T 7.46 4.69 4.11 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 0.96 0.00 0.00 42 W 8.70 5.00 0.00 3.54 2.99 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 43 S 8.05 4.52 0.00 3.89 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 44 S 8.53 5.10 0.00 4.13 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 45 G 7.97 3.88 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 0.00 0.00 0.00 46 G 8.15 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 0.00 0.00 0.00 47 V 7.76 3.50 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 0.55 0.00 0.00 0.51 0.00 0.00 48 I 6.71 4.00 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.50 0.00 0.00 49 G 8.89 3.39 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 50 Y 9.01 3.71 0.00 3.18 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 51 K 8.83 4.50 0.00 1.77 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.46 7.81 52 G 8.00 4.10 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 0.00 0.00 0.00 53 S 9.24 4.03 0.00 3.85 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 54 R 7.94 4.02 0.00 1.74 1.54 0.00 2.96 0.00 0.00 2.87 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 55 K 8.20 4.52 0.00 2.20 2.20 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.58 7.81 56 G 7.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 6.73 3.49 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 1.23 0.00 0.00 58 P 0.00 4.40 0.00 2.36 2.34 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 59 Y 8.26 4.25 0.00 2.94 3.14 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 60 A 8.49 3.88 1.57 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 61 A 8.22 3.89 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 62 Q 8.12 3.86 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 63 L 8.18 3.65 0.00 1.51 1.47 0.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.23 4.33 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 65 A 7.54 4.15 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 66 L 8.40 3.88 0.00 1.71 1.70 0.89 0.92 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 67 D 8.63 4.22 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.42 4.39 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 69 A 7.49 4.50 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 70 K 8.96 3.83 0.00 1.73 1.88 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.68 7.81 71 K 8.12 4.33 0.00 1.82 1.73 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.33 7.81 72 A 8.15 4.52 1.33 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 73 M 8.09 4.03 0.00 2.19 2.39 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 2.67 2.61 0.00 74 A 7.51 4.33 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 75 Y 8.88 4.56 0.00 3.07 2.95 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 0.00 76 G 7.86 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.07 4.69 0.00 2.03 2.13 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 2.57 2.54 0.00 78 Q 8.01 4.54 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 79 S 8.23 5.29 0.00 3.91 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 80 V 8.23 4.96 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 1.13 0.00 0.00 0.97 0.00 0.00 81 D 8.57 5.27 0.00 2.58 2.43 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 82 V 7.94 4.41 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 0.75 0.00 0.00 0.90 0.00 0.00 83 I 7.99 5.19 1.45 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.86 0.82 0.00 0.00 84 V 7.90 4.10 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 1.06 0.00 0.00 85 R 8.85 4.38 0.00 1.76 1.73 0.00 3.20 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 86 G 9.09 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 87 T 8.28 3.72 4.13 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 0.00 0.00 0.00 1.14 0.00 0.00 88 G 7.98 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 0.00 0.00 0.00 89 A 7.71 3.88 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 90 G 8.56 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 91 R 7.87 3.90 0.00 1.83 1.97 0.00 3.15 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 92 E 8.33 3.90 0.00 2.05 2.05 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 2.42 2.47 0.00 93 Q 8.00 3.95 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 94 A 8.07 4.12 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 95 I 7.88 3.58 2.03 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 1.64 1.20 0.91 0.00 0.00 96 R 8.77 4.07 0.00 2.20 2.00 0.00 3.19 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 97 A 9.05 3.90 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 98 L 7.72 4.09 0.00 1.64 1.72 0.92 1.01 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 99 Q 7.55 4.12 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 100 A 7.63 4.22 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 0.00 101 S 7.36 4.23 0.00 4.03 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 0.00 102 G 8.82 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 0.00 0.00 0.00 103 L 7.48 4.61 0.00 1.59 1.70 0.97 0.96 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 0.00 104 Q 8.05 4.20 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 105 V 8.34 3.80 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 0.69 0.00 0.00 0.92 0.00 0.00 106 K 9.11 4.31 0.00 1.77 1.82 0.00 1.62 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 107 S 7.76 4.72 0.00 3.80 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 0.00 108 I 7.99 4.51 1.86 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 1.22 0.51 0.90 0.00 0.00 109 V 7.23 3.52 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 0.90 0.00 0.00 0.89 0.00 0.00 110 D 8.49 5.24 0.00 2.67 2.47 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 0.00 0.00 0.00 0.00 111 D 8.43 4.73 0.00 2.68 2.52 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 0.00 112 T 7.98 4.18 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 1.23 0.00 0.00 113 P 0.00 4.21 0.00 2.15 2.11 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 114 V 7.99 4.12 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 0.77 0.00 0.00 0.93 0.00 0.00 115 P 0.00 4.45 0.00 2.00 1.95 0.00 3.62 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 1.94 2.04 0.00 116 H 8.29 4.72 0.00 3.15 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.12 4.11 0.00 2.89 2.91 0.00 0.00 6.98 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 0.00 118 G 7.74 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 0.00 119 C 7.78 4.17 0.00 2.88 2.77 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 0.00 120 R 8.64 3.84 0.00 1.79 1.89 0.00 3.29 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 121 P 0.00 4.18 0.00 2.29 1.92 0.00 3.82 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 2.02 1.97 0.00 122 K 8.59 4.26 0.00 2.00 2.06 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.59 7.81 123 K 8.75 4.02 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.50 7.81 124 K 8.32 3.82 0.00 1.77 1.72 0.00 1.33 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.31 7.81 125 F 8.08 4.36 0.00 2.96 3.12 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 0.00 126 R 7.93 4.19 0.00 2.02 1.87 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00