NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2223 8.3144 121.7899 55.6692 33.0359 175.2059 2 E 3.8157 8.6533 127.1810 54.5666 30.2550 174.8541 3 S 4.2999 8.9110 122.8909 58.0012 66.2318 174.6324 4 A 4.0340 8.5985 124.8566 55.3142 18.1684 180.0069 5 A 3.9473 8.0192 118.4789 55.4378 18.4868 179.5951 6 A 4.0087 8.2324 119.3680 55.1000 18.4018 179.7782 7 K 4.1118 8.5311 120.0387 59.0496 32.2294 178.8032 8 F 4.0776 8.5319 121.1032 61.3798 39.3587 176.9626 9 E 3.9858 8.4786 118.2249 59.2866 29.0225 179.3424 10 R 3.7913 7.9953 117.9671 59.7005 30.3076 178.3994 11 Q 4.0036 8.1635 116.6447 58.0486 28.8064 176.5002 12 H 4.6680 7.8519 113.1552 54.8424 30.7265 172.9678 13 M 4.5905 7.6933 119.7616 53.6297 33.9875 176.1518 14 D 4.7852 8.2018 122.4840 52.9533 41.2775 175.1491 15 S 4.2409 8.1106 116.9156 60.7306 63.6343 175.8919 16 G 4.0371 7.9490 106.5814 45.1921 0.0000 172.6978 17 N 5.0229 7.5872 115.5206 51.3587 43.0625 173.3584 18 S 4.6570 8.3470 114.8946 56.1151 63.4999 173.3853 19 P 4.3980 0.0000 0.0000 64.8359 31.3119 176.9031 20 S 4.5729 7.5266 112.8944 57.8992 63.3386 174.3001 21 S 4.2482 7.6607 116.4124 58.7293 62.5096 174.0174 22 S 4.5439 8.5896 120.4604 58.8650 63.7457 174.7321 23 S 4.5945 7.8967 114.6047 58.5548 63.4015 174.5319 24 N 4.7083 7.8930 118.7495 54.0252 38.8644 175.2878 25 Y 4.0017 7.9196 120.7396 61.9564 38.8469 178.5545 26 C 4.1651 8.4695 117.1754 60.0490 39.4568 175.8053 27 N 4.4341 8.2205 117.5025 56.4514 38.1763 177.3251 28 L 3.9300 7.7118 120.1006 57.9336 41.7434 179.2260 29 M 3.6992 7.8804 118.5277 58.5824 31.9196 178.0891 30 M 4.0911 8.1168 119.3438 58.3578 32.0431 178.3797 31 C 4.1561 7.6401 119.1418 62.1198 31.6158 174.9952 32 C 3.9392 8.1156 119.6230 62.5188 31.1206 174.4091 33 R 4.3817 8.2473 115.9320 55.7167 29.5703 176.2428 34 K 3.8944 7.7536 115.7625 58.5649 29.6853 176.3447 35 M 4.6844 8.3723 115.3909 55.3988 32.3107 177.2907 36 T 4.8305 7.7382 106.1538 60.1768 69.7365 172.5426 37 Q 4.6586 8.3179 120.9645 56.1570 30.1757 174.5300 38 G 4.2716 10.9829 114.3518 45.3453 0.0000 173.3242 39 K 3.6788 6.8834 115.6433 55.3270 34.8809 175.0378 40 C 4.5197 8.6709 118.1267 55.9905 40.3987 173.8571 41 K 4.1688 8.7128 127.6845 55.8678 32.2686 174.9446 42 P 4.7089 0.0000 0.0000 65.4871 32.6381 176.5061 43 V 4.9587 7.6233 118.7429 61.2459 34.5949 173.9349 44 N 4.7739 9.2840 125.3413 52.6115 42.7652 172.8237 45 T 4.7040 7.7776 121.6166 61.6421 71.0452 173.4677 46 F 4.7447 8.8077 124.4129 55.6546 41.7866 174.6370 47 V 4.5581 8.4101 122.4175 61.6666 33.0219 174.8603 48 H 4.9420 9.0677 123.7301 55.7480 29.7480 174.7449 49 E 4.3067 8.1360 118.4960 55.2388 30.5121 176.9861 50 S 4.3305 8.3052 114.8525 58.3384 64.9116 174.8602 51 L 3.9479 8.5551 124.4582 58.3227 41.8352 179.1669 52 A 3.9838 7.9891 120.1349 55.4575 18.1579 179.1768 53 D 4.3316 7.9849 115.9597 57.4194 41.2039 179.0365 54 V 3.7549 7.8985 118.7635 66.0103 31.7144 178.1974 55 K 3.9200 8.5264 118.4588 59.5014 31.7719 179.0993 56 A 4.0338 8.1616 120.7222 54.6864 18.1203 179.5983 57 V 3.6670 7.6160 117.0602 66.4002 31.2685 177.1785 58 C 3.7823 7.8529 114.5116 58.2286 39.9731 174.2647 59 S 4.5018 7.6892 114.1333 57.9313 63.8672 175.0330 60 Q 4.5584 7.7082 122.8547 55.9094 28.1476 175.8906 61 K 4.2636 8.4972 126.9770 56.8239 33.2662 177.0953 62 K 4.0473 8.7471 127.8157 56.7784 32.3529 176.7358 63 V 4.6268 8.0559 117.6273 59.1005 36.1380 175.6006 64 T 3.8505 8.3858 112.2757 62.1583 69.2206 174.7979 65 C 4.6967 8.1056 122.2848 56.0569 41.1687 175.0152 66 K 3.6821 9.1901 123.5856 59.2104 31.7440 177.6904 67 N 4.6233 8.1569 113.4626 52.1987 37.4802 175.9508 68 G 3.8684 8.1481 106.7855 45.9263 0.0000 174.0585 69 Q 4.3204 8.4926 119.9670 55.9850 29.3935 176.0174 70 T 5.2032 8.1624 107.4464 61.8625 69.1844 173.8408 71 N 5.0938 8.0951 116.7012 53.9679 38.9732 173.8978 72 C 5.3804 8.0029 115.9318 56.6407 43.6461 172.3420 73 Y 5.2153 8.9426 118.7025 56.3915 42.2029 173.8580 74 Q 5.1440 9.2932 124.9321 53.9942 31.6061 174.8943 75 S 4.6668 8.8227 122.0766 58.1740 63.0872 174.8106 76 K 4.1186 9.5791 123.4221 59.1730 32.6030 176.9853 77 S 5.0523 7.6374 113.2923 56.1345 66.2330 174.3077 78 T 4.1011 8.3575 111.5469 62.2048 69.6761 173.4349 79 M 5.0321 8.8452 121.7791 53.4221 36.6590 175.1091 80 R 4.6420 9.3973 121.9011 56.2025 31.2245 175.8790 81 I 5.0804 9.0001 117.1750 59.5210 42.1133 174.0620 82 T 4.9984 9.0657 119.0731 61.8499 71.7454 172.6569 83 D 4.9057 9.1265 126.9194 53.2484 43.0789 174.1842 84 C 5.5688 9.1450 123.7095 55.3430 38.7349 173.1266 85 R 5.2565 8.7771 122.4327 53.8517 33.4509 174.7868 86 E 4.0913 9.1110 125.5498 56.8253 30.1008 176.8287 87 T 4.2116 8.4412 117.3428 60.8714 69.6766 175.1344 88 G 3.7314 8.6784 111.0476 48.7148 0.0000 175.3304 89 S 4.2128 7.9053 114.7567 60.4350 63.2841 174.6716 90 S 3.9679 7.3384 115.0543 58.4139 62.4346 173.5623 91 K 4.3870 8.5625 128.6573 54.7576 34.3702 174.4535 92 Y 4.2574 8.8207 127.4058 58.0831 38.8990 173.9580 93 P 3.4008 0.0000 0.0000 62.4900 31.7370 176.6504 94 N 4.5928 7.8430 119.8138 52.4002 36.9679 171.7530 95 C 4.4224 8.1540 116.8835 56.1762 41.7429 172.9971 96 A 5.1113 8.6828 127.0201 50.2264 21.4583 174.4161 97 Y 5.1092 9.3598 119.4526 55.9259 42.0187 175.1325 98 K 4.3946 9.4039 124.8333 56.0816 33.7604 175.4178 99 T 5.0266 8.6134 124.4234 62.7712 69.9288 174.1844 100 T 4.6345 8.7917 123.2192 61.6477 71.7134 173.3397 101 Q 4.4929 8.7610 126.1213 55.8158 29.5561 175.9731 102 V 4.5597 8.9629 116.3981 59.6891 36.7177 174.5924 103 E 5.4973 8.7575 122.1056 53.9469 31.3053 175.2105 104 K 4.7578 8.2611 122.7353 54.4453 37.4821 175.5506 105 H 4.7824 8.9029 119.1508 55.9687 29.8696 174.8639 106 I 4.7987 8.5064 115.8297 59.4967 40.3356 174.3932 107 I 4.8303 8.2792 125.1849 59.6940 39.7286 175.0757 108 V 4.6958 8.6788 119.6035 59.2639 35.7881 174.5746 109 A 4.9574 8.8595 125.3515 51.5249 20.2142 175.8076 110 C 5.4881 9.0249 119.4726 55.5527 44.0630 173.4789 111 G 4.0341 9.1734 107.9404 46.2898 0.0000 173.2495 112 G 4.1583 9.4975 106.0803 44.8862 0.0000 172.8126 113 K 4.5401 7.9488 116.7127 53.5710 34.1424 175.0186 114 P 4.3397 0.0000 0.0000 62.2040 31.9697 176.1795 115 S 4.6380 8.3102 115.0183 58.0681 62.7005 173.4869 116 V 4.6213 8.5857 119.8859 58.4999 36.1796 173.4392 117 P 4.8351 0.0000 0.0000 63.3449 31.1852 176.7812 118 V 4.4746 9.2927 116.4820 61.5079 33.9683 175.2834 119 H 4.8695 8.0000 119.2927 54.8102 33.4323 171.6067 120 F 4.5025 8.5800 127.3894 57.3163 39.7302 174.3872 121 D 4.6291 8.2453 126.5446 55.9431 41.9312 175.9504 122 A 4.7101 6.7625 116.9629 51.2812 22.5141 174.6886 123 S 5.3777 8.9473 114.0248 56.4990 65.8440 174.5376 124 V 4.1503 8.8458 122.1751 62.0085 31.5510 175.0827 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 K 8.31 4.22 0.00 1.74 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 2 E 8.65 3.82 0.00 2.13 1.83 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 2.39 2.37 0.00 3 S 8.91 4.30 0.00 4.10 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 4 A 8.60 4.03 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 5 A 8.02 3.95 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 6 A 8.23 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 7 K 8.53 4.11 0.00 1.94 2.03 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.31 7.81 8 F 8.53 4.08 0.00 3.19 3.25 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 9 E 8.48 3.99 0.00 2.27 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 2.48 2.69 0.00 10 R 8.00 3.79 0.00 1.76 2.07 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 11 Q 8.16 4.00 0.00 1.68 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 12 H 7.85 4.67 0.00 1.81 2.71 0.00 5.62 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 13 M 7.69 4.59 0.00 2.02 2.12 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 2.68 2.63 0.00 14 D 8.20 4.79 0.00 2.51 2.49 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 0.00 15 S 8.11 4.24 0.00 3.91 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 16 G 7.95 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 17 N 7.59 5.02 0.00 3.02 2.66 0.00 0.00 6.89 7.57 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 18 S 8.35 4.66 0.00 3.85 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 19 P 0.00 4.40 0.00 2.21 2.16 0.00 3.80 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 1.98 1.95 0.00 20 S 7.53 4.57 0.00 3.95 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 21 S 7.66 4.25 0.00 3.91 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 22 S 8.59 4.54 0.00 3.99 3.95 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 23 S 7.90 4.59 0.00 4.05 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 24 N 7.89 4.71 0.00 2.88 2.84 0.00 0.00 6.77 7.56 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 25 Y 7.92 4.00 0.00 3.07 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 26 C 8.47 4.17 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 27 N 8.22 4.43 0.00 3.09 2.93 0.00 0.00 7.15 6.74 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 28 L 7.71 3.93 0.00 1.53 1.57 0.88 0.78 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 29 M 7.88 3.70 0.00 0.93 0.72 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.00 30 M 8.12 4.09 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 2.45 0.00 31 C 7.64 4.16 0.00 3.08 3.13 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 0.00 32 C 8.12 3.94 0.00 2.82 3.01 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 33 R 8.25 4.38 0.00 2.01 2.02 0.00 3.54 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 34 K 7.75 3.89 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.56 7.81 35 M 8.37 4.68 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 36 T 7.74 4.83 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 1.43 0.00 0.00 37 Q 8.32 4.66 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 38 G 10.98 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 0.00 0.00 0.00 0.00 39 K 6.88 3.68 0.00 1.71 1.56 0.00 1.44 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81 40 C 8.67 4.52 0.00 3.12 3.15 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 41 K 8.71 4.17 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.40 7.81 42 P 0.00 4.71 0.00 2.27 2.31 0.00 3.49 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 43 V 7.62 4.96 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 0.78 0.00 0.00 0.97 0.00 0.00 44 N 9.28 4.77 0.00 2.63 2.24 0.00 0.00 6.70 8.07 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 45 T 7.78 4.70 2.69 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 0.78 0.00 0.00 46 F 8.81 4.74 0.00 3.03 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 47 V 8.41 4.56 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 0.86 0.00 0.00 1.03 0.00 0.00 48 H 9.07 4.94 0.00 3.14 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.31 0.00 1.99 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 2.34 2.26 0.00 50 S 8.31 4.33 0.00 4.05 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 51 L 8.56 3.95 0.00 1.79 1.73 0.94 1.15 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 52 A 7.99 3.98 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 53 D 7.98 4.33 0.00 2.84 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 54 V 7.90 3.75 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 1.08 0.00 0.00 1.02 0.00 0.00 55 K 8.53 3.92 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.61 7.81 56 A 8.16 4.03 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 57 V 7.62 3.67 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 1.18 0.00 0.00 1.00 0.00 0.00 58 C 7.85 3.78 0.00 2.91 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 59 S 7.69 4.50 0.00 3.88 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 60 Q 7.71 4.56 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 61 K 8.50 4.26 0.00 1.81 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 62 K 8.75 4.05 0.00 1.61 1.59 0.00 1.46 0.00 0.00 1.09 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.32 7.81 63 V 8.06 4.63 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 0.70 0.00 0.00 0.84 0.00 0.00 64 T 8.39 3.85 4.20 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 1.17 0.00 0.00 65 C 8.11 4.70 0.00 2.98 3.06 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 0.00 0.00 0.00 0.00 66 K 9.19 3.68 0.00 1.85 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.58 7.81 67 N 8.16 4.62 0.00 2.80 2.88 0.00 0.00 6.08 7.00 0.00 0.00 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 8.15 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 0.00 0.00 0.00 69 Q 8.49 4.32 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 70 T 8.16 5.20 4.19 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 1.17 0.00 0.00 71 N 8.10 5.09 0.00 2.98 3.04 0.00 0.00 6.03 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 72 C 8.00 5.38 0.00 2.95 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 73 Y 8.94 5.22 0.00 2.88 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 74 Q 9.29 5.14 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 75 S 8.82 4.67 0.00 3.97 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 76 K 9.58 4.12 0.00 1.87 2.01 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.44 7.81 77 S 7.64 5.05 0.00 3.74 3.78 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 78 T 8.36 4.10 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 0.96 0.00 0.00 79 M 8.85 5.03 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 80 R 9.40 4.64 0.00 1.83 1.90 0.00 3.05 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 81 I 9.00 5.08 1.95 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 1.42 0.72 1.03 0.00 0.00 82 T 9.07 5.00 4.48 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 1.39 0.00 0.00 83 D 9.13 4.91 0.00 2.72 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 84 C 9.15 5.57 0.00 2.95 2.83 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 85 R 8.78 5.26 0.00 1.80 1.84 0.00 3.34 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 86 E 9.11 4.09 0.00 2.06 1.77 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 2.08 1.70 0.00 87 T 8.44 4.21 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 1.20 0.00 0.00 88 G 8.68 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 0.00 0.00 0.00 89 S 7.91 4.21 0.00 3.85 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 90 S 7.34 3.97 0.00 3.78 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 91 K 8.56 4.39 0.00 1.73 1.59 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.39 7.81 92 Y 8.82 4.26 0.00 2.95 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 93 P 0.00 3.40 0.00 1.75 1.03 0.00 3.64 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 1.71 1.70 0.00 94 N 7.84 4.59 0.00 2.90 2.75 0.00 0.00 7.04 7.28 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 95 C 8.15 4.42 0.00 3.11 3.09 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 96 A 8.68 5.11 1.13 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 0.00 0.00 0.00 97 Y 9.36 5.11 0.00 2.94 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 98 K 9.40 4.39 0.00 1.88 1.74 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 99 T 8.61 5.03 4.33 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 1.31 0.00 0.00 100 T 8.79 4.63 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 0.00 101 Q 8.76 4.49 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 102 V 8.96 4.56 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 0.81 0.00 0.00 0.96 0.00 0.00 103 E 8.76 5.50 0.00 1.80 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 2.19 2.13 0.00 104 K 8.26 4.76 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 105 H 8.90 4.78 0.00 3.11 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.51 4.80 1.79 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 1.26 0.83 1.13 0.00 0.00 107 I 8.28 4.83 1.69 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 1.16 0.73 0.86 0.00 0.00 108 V 8.68 4.70 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 0.59 0.00 0.00 0.94 0.00 0.00 109 A 8.86 4.96 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 0.00 110 C 9.02 5.49 0.00 2.89 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 0.00 111 G 9.17 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 0.00 112 G 9.50 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.95 4.54 0.00 1.69 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.34 7.81 114 P 0.00 4.34 0.00 2.15 2.03 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 S 8.31 4.64 0.00 3.87 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 0.00 116 V 8.59 4.62 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 0.70 0.00 0.00 1.00 0.00 0.00 117 P 0.00 4.84 0.00 1.96 2.02 0.00 3.62 0.00 0.00 3.63 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 V 9.29 4.47 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 0.72 0.00 0.00 1.05 0.00 0.00 119 H 8.00 4.87 0.00 3.24 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.58 4.50 0.00 3.03 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 0.00 121 D 8.25 4.63 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.76 4.71 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 0.00 123 S 8.95 5.38 0.00 3.97 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 0.00 124 V 8.85 4.15 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 0.72 0.00 0.00 0.94 0.00 0.00