NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3314 8.2649 123.5795 52.2403 19.8007 175.5642 3 R 4.2578 8.6663 115.8573 54.0091 30.5169 175.0463 4 R 4.1259 8.2662 119.6559 56.2531 26.4521 174.4196 5 R 4.2210 7.9196 121.3451 54.7315 30.6621 177.2238 6 R 3.7185 8.7961 125.7407 57.5687 30.7993 175.5423 7 A 3.7345 8.3193 116.9434 53.3215 15.9915 175.2799 8 E 3.7746 7.5113 118.0546 53.9620 31.5775 177.9693 9 V 3.9118 8.1805 121.3239 62.4047 32.3146 176.6803 10 R 4.5443 8.2772 125.0283 55.7205 29.6939 175.0936 11 Q 4.6205 8.2487 117.7924 55.3895 32.0737 174.6475 12 L 4.7456 8.1789 122.4627 54.0000 42.8104 177.3357 13 Q 4.1222 9.1698 122.8907 55.0311 27.0502 173.2821 14 P 3.9031 0.0000 0.0000 60.6979 33.9909 174.4605 15 D 4.3692 8.6561 119.3365 53.8271 42.4371 177.1731 16 L 4.6421 7.7254 122.9182 53.8096 41.9706 176.5547 17 V 4.3594 7.6368 117.9114 63.5522 35.6561 171.9612 18 Y 4.5965 8.5667 112.4486 58.1470 42.4646 174.6767 19 G 4.0982 7.8344 106.6350 46.4426 0.0000 172.8032 20 D 4.9977 7.9032 117.0775 51.5231 44.0841 176.2512 21 V 3.8363 8.6314 120.2947 64.6764 31.5815 178.1301 22 L 4.0302 8.1479 119.2853 58.8032 41.7096 178.5617 23 V 3.5602 9.0145 117.8922 66.4426 30.8406 177.8943 24 T 3.6938 7.7421 114.1509 67.2718 68.4252 175.1842 25 A 3.9398 8.4244 121.5990 56.1636 18.1892 179.2919 26 F 4.5054 9.0841 116.9152 61.5259 39.7854 177.8614 27 I 2.9664 7.5181 119.4796 63.9725 36.4603 177.7460 28 N 4.1210 7.8168 117.0146 56.8253 38.8987 176.5784 29 K 4.0513 7.9885 118.5864 59.6628 32.2063 178.8750 30 I 3.7364 7.7933 119.3533 64.3892 37.3986 175.4706 31 M 3.5203 6.9613 119.0997 53.3021 34.0680 176.9841 32 R 4.2432 8.2651 119.8859 59.6570 30.1119 174.2998 33 D 4.8330 8.8705 126.1715 54.6257 38.6095 177.7351 34 G 4.1701 8.3295 112.3584 46.2168 0.0000 172.7890 35 K 4.1123 7.8341 122.3455 55.4266 32.6198 176.6426 36 K 3.7255 9.4531 124.5432 60.3700 32.3941 176.2904 37 N 4.1742 8.4316 115.3630 56.8806 36.6295 176.2816 38 L 3.8747 8.4367 121.7667 57.0675 42.4783 179.1007 39 A 3.8278 8.1198 120.6686 55.7862 18.1759 178.8666 40 A 3.1800 8.2267 118.6576 55.0944 18.2830 179.7701 41 R 4.0633 8.5348 115.2128 59.5676 30.3286 179.3387 42 I 4.5124 7.9443 120.4816 64.0179 37.1735 177.9618 43 F 3.9823 7.9644 121.5892 62.2242 38.9270 176.4866 44 Y 4.4674 8.2417 116.3908 60.9071 37.5661 178.2643 45 D 4.4610 8.9321 119.5815 57.7229 41.0556 179.2809 46 A 3.9701 8.3179 121.1143 55.5420 18.3700 179.1632 47 C 3.6852 8.0982 114.5696 63.1247 28.1460 177.0163 48 K 3.9611 8.3560 120.0009 59.5003 31.4577 179.0936 49 I 3.7099 7.6436 118.9764 65.4129 37.3025 177.6592 50 I 3.6145 8.0932 119.3494 64.0029 36.7679 178.0120 51 Q 4.3020 8.6067 119.7435 57.4906 28.9571 179.3973 52 E 4.0593 9.2414 119.8939 57.8502 29.1313 178.9281 53 K 4.6543 5.6600 114.6869 59.0957 33.0029 176.3719 54 T 4.4369 7.7199 113.4526 60.6363 66.9330 175.3055 55 G 4.3721 8.0155 114.3403 48.2739 0.0000 172.0662 56 Q 3.6897 7.2574 117.6868 53.0153 30.3548 177.4722 57 E 4.6103 8.5961 122.1777 54.4269 31.1847 175.9758 58 P 4.1962 0.0000 0.0000 65.8979 31.2944 178.0706 59 L 3.9954 8.1054 118.5454 58.2004 42.0124 178.6459 60 K 3.9234 8.1052 118.8202 59.6593 32.0808 178.5106 61 V 3.5720 8.1249 118.5632 65.8511 31.3901 177.3152 62 F 4.0681 8.6591 120.5085 61.6212 39.1305 177.4292 63 K 3.9521 8.4334 117.7164 59.5265 31.8044 178.9220 64 Q 3.9134 8.3185 119.6804 59.3126 28.8940 178.3748 65 A 3.8227 8.2034 121.9577 54.9421 18.2638 179.6469 66 V 3.3267 7.7778 116.8845 66.0773 31.3843 177.4692 67 E 3.8834 8.0549 117.7099 59.6100 29.4808 178.3059 68 N 4.3985 8.0361 114.9046 56.5380 38.7804 177.4469 69 V 3.6312 7.7150 118.2042 64.1678 31.6474 176.2972 70 K 3.9982 7.7465 118.7366 55.9490 32.6441 175.7051 71 P 4.8768 0.0000 0.0000 63.2822 30.1467 174.0324 72 R 4.8179 8.1379 112.1723 57.0512 36.5877 174.8027 73 M 5.4461 7.8618 118.9531 51.9033 35.4706 173.1067 74 E 4.7389 9.1402 125.5765 54.9798 34.1765 173.3480 75 V 4.5544 8.1207 118.8541 61.2118 34.8816 174.3964 76 R 4.8533 7.8668 123.3101 55.0907 35.3103 173.7653 77 S 6.2300 8.9589 115.3379 56.7009 65.0474 173.9661 78 R 4.4292 8.9079 122.2961 54.5706 33.4695 174.6583 79 R 4.9380 8.2229 123.2898 55.3165 31.0932 175.1417 80 V 4.3060 8.5139 125.3545 62.6328 32.8647 177.7214 81 G 3.7806 9.0148 102.2350 47.2874 0.0000 173.9339 82 G 3.8313 7.7188 109.6659 44.7524 0.0000 169.1939 83 A 4.5460 6.1860 121.2571 52.2209 22.5882 175.8543 84 N 6.0292 8.5389 115.5773 50.7279 39.6946 173.7309 85 Y 4.7604 8.4098 119.0582 56.1101 42.1043 175.1079 86 Q 4.6483 8.3909 121.5834 55.5099 29.1004 175.1789 87 V 4.5272 8.2553 125.3084 60.2034 34.3175 173.2920 88 P 4.9437 0.0000 0.0000 62.3958 33.3311 174.0382 89 M 4.5786 8.8831 116.3994 53.6460 35.2421 176.5722 90 E 4.1626 7.8833 112.0911 54.8220 32.5862 179.2087 91 V 4.1935 9.1986 130.7725 63.0020 34.6461 170.2943 92 S 3.4292 8.1902 113.6642 59.2045 61.3259 169.5904 93 P 3.7743 0.0000 0.0000 66.3231 30.7222 179.4061 94 R 3.6308 7.6466 116.1202 58.0401 32.0230 177.3150 95 R 3.8285 8.1991 118.2409 59.7170 30.2501 178.1813 96 Q 3.8826 8.4012 119.6410 60.0163 29.1814 178.3283 97 Q 4.1384 8.9931 121.4032 57.2727 28.7308 178.7030 98 S 4.0060 8.3476 115.2462 61.6208 63.3663 176.9055 99 L 4.0470 8.3002 121.3324 56.9362 41.4240 179.1785 100 A 4.7262 8.2452 121.1323 56.0920 18.3143 178.6136 101 L 3.7884 8.4572 118.9135 57.7369 41.8448 178.7318 102 R 3.9517 8.8291 117.9881 60.2459 30.2346 178.4558 103 W 4.5560 8.5449 126.9968 60.6688 30.7302 177.4339 104 L 3.8291 8.5431 118.8162 58.0315 41.1720 179.5833 105 V 3.7409 7.8589 117.8606 66.8041 31.3097 177.5814 106 Q 4.0126 8.5552 117.2630 59.1246 28.5685 178.6181 107 A 3.9496 8.4982 121.2138 56.1477 18.1582 178.7550 108 A 3.9681 8.2514 118.3499 54.7057 18.3990 179.0175 109 N 4.2637 8.6074 115.4591 56.4758 39.0227 177.1062 110 Q 4.1309 8.3644 118.2193 59.6360 29.1929 177.8915 111 R 3.7721 7.7464 116.0065 51.7457 33.8685 174.7826 112 P 4.9732 0.0000 0.0000 61.1042 30.5263 180.5057 113 E 3.5434 9.0626 117.5678 57.4889 29.8866 175.1990 114 R 4.4912 8.3810 110.0550 55.5317 33.8860 175.7657 115 R 4.5733 7.7479 116.4117 54.2597 32.8349 176.9503 116 A 3.9695 8.5682 124.5944 55.3701 18.3892 179.9715 117 A 3.9559 7.9554 118.7607 55.0287 18.4854 179.5826 118 V 3.5151 7.7437 116.4187 66.3317 31.4491 177.7360 119 R 4.4572 7.8915 119.4741 59.0845 29.8720 178.1344 120 I 3.7286 8.1942 119.4291 64.3975 37.1769 177.6472 121 A 4.0734 8.8416 120.4039 54.0328 17.7459 179.2361 122 H 3.9856 7.1617 115.5954 58.5376 29.6159 175.7838 123 E 3.7565 8.4815 119.9547 59.7240 29.1324 178.2483 124 L 3.7603 8.7004 119.9277 59.0063 42.1882 179.2735 125 M 4.0229 8.2743 118.4876 58.4696 31.8361 178.0590 126 D 4.3342 8.6239 118.7554 58.0065 41.1819 178.8871 127 A 4.0564 8.3686 121.1214 54.6234 18.1547 179.0863 128 A 4.1206 8.1637 119.0320 55.6931 18.5677 179.1619 129 E 3.9889 8.1800 116.7245 58.8812 30.6273 176.1927 130 G 3.0641 6.3071 106.1400 43.9968 0.0000 174.0942 131 K 4.2943 8.6896 118.9064 55.4989 36.1989 175.0960 132 G 3.8125 9.1813 108.3273 43.2655 0.0000 174.2082 133 G 3.7439 8.9222 105.3892 47.3551 0.0000 175.1549 134 A 3.7162 7.8359 118.8469 53.5095 17.9622 179.8925 135 V 3.1165 8.1353 118.6421 64.8610 32.6331 176.0197 136 K 4.0723 7.9235 120.4660 58.9903 31.8914 178.4919 137 K 3.9543 8.3981 118.9016 60.1415 31.9952 178.2049 138 K 3.4252 7.6326 120.0643 58.2300 31.7442 178.3222 139 E 4.1495 8.4366 119.5118 59.2364 29.7773 179.0085 140 D 4.3296 8.8537 115.9687 57.2036 40.5667 178.8838 141 V 3.5779 6.9710 123.4125 66.2950 32.0431 176.8408 142 E 4.2016 9.1128 116.5612 59.4240 28.8345 178.7593 143 R 4.6905 6.2320 127.1135 59.2794 30.2763 177.8950 144 M 4.0275 8.0479 119.2638 58.4784 32.1146 176.9916 145 A 4.1280 8.1105 121.0055 52.8464 19.2743 177.8317 146 E 3.9156 8.8149 118.7682 56.2739 29.4538 176.1964 147 A 3.9380 7.3930 120.4714 55.6212 17.9166 178.2104 148 N 4.7337 7.8886 114.2670 51.8523 37.7727 175.0337 149 R 3.9164 8.0730 117.6287 57.7302 30.7877 178.4591 150 A 3.7749 8.1796 119.1242 55.4477 19.7594 179.9583 151 Y 4.1415 6.8874 112.3984 61.4416 38.2302 178.2709 152 A 4.0316 8.7472 123.5147 55.5560 18.5895 179.1075 153 H 4.1242 7.5012 108.9778 57.7739 28.7494 175.7533 154 Y 4.5924 8.3572 118.0837 59.1753 38.0955 176.6961 155 R 4.4737 8.5082 114.4891 56.1745 30.2254 175.3475 156 W 4.2950 8.5595 129.1452 57.4994 31.0628 174.8978 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 A 8.26 4.33 1.29 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 0.00 0.00 3 R 8.67 4.26 0.00 1.88 1.94 0.00 3.35 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 1.58 1.61 0.00 4 R 8.27 4.13 0.00 1.99 2.27 0.00 3.02 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 5 R 7.92 4.22 0.00 1.86 1.83 0.00 3.21 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 6 R 8.80 3.72 0.00 1.79 1.95 0.00 3.48 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 7 A 8.32 3.73 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 8 E 7.51 3.77 0.00 2.21 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 0.00 2.37 2.42 0.00 9 V 8.18 3.91 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 0.83 0.00 0.00 0.94 0.00 0.00 10 R 8.28 4.54 0.00 1.84 1.94 0.00 3.31 0.00 0.00 2.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 11 Q 8.25 4.62 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 12 L 8.18 4.75 0.00 1.71 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.17 4.12 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 14 P 0.00 3.90 0.00 2.11 2.22 0.00 3.78 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 15 D 8.66 4.37 0.00 2.76 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 16 L 7.73 4.64 0.00 1.70 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.64 4.36 2.59 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 0.93 0.00 0.00 0.65 0.00 0.00 18 Y 8.57 4.60 0.00 3.25 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 19 G 7.83 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 20 D 7.90 5.00 0.00 2.78 2.59 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 21 V 8.63 3.84 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 0.85 0.00 0.00 0.99 0.00 0.00 22 L 8.15 4.03 0.00 1.87 2.07 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.01 3.56 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 0.67 0.00 0.00 0.84 0.00 0.00 24 T 7.74 3.69 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 1.18 0.00 0.00 25 A 8.42 3.94 1.43 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 26 F 9.08 4.51 0.00 3.35 3.82 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 27 I 7.52 2.97 1.36 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 28 N 7.82 4.12 0.00 2.81 2.98 0.00 0.00 7.26 6.42 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 29 K 7.99 4.05 0.00 2.06 2.01 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.57 7.81 30 I 7.79 3.74 1.72 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.85 0.00 0.00 31 M 6.96 3.52 0.00 2.16 1.83 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 2.57 2.50 0.00 32 R 8.27 4.24 0.00 1.91 1.89 0.00 3.05 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 33 D 8.87 4.83 0.00 2.85 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 34 G 8.33 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.11 0.00 1.78 1.81 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 36 K 9.45 3.73 0.00 1.76 1.81 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 37 N 8.43 4.17 0.00 3.04 2.98 0.00 0.00 5.88 6.67 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 38 L 8.44 3.87 0.00 1.79 1.69 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.12 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 40 A 8.23 3.18 1.49 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 0.00 0.00 41 R 8.53 4.06 0.00 1.99 2.10 0.00 3.21 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 42 I 7.94 4.51 1.84 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 1.40 1.02 0.92 0.00 0.00 43 F 7.96 3.98 0.00 2.80 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 44 Y 8.24 4.47 0.00 3.38 2.92 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 45 D 8.93 4.46 0.00 2.70 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 46 A 8.32 3.97 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 47 C 8.10 3.69 0.00 3.00 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 48 K 8.36 3.96 0.00 2.10 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 49 I 7.64 3.71 2.05 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 1.57 0.37 0.94 0.00 0.00 50 I 8.09 3.61 2.07 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 1.64 0.83 1.02 0.00 0.00 51 Q 8.61 4.30 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 52 E 9.24 4.06 0.00 1.96 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 2.33 2.35 0.00 53 K 5.66 4.65 0.00 2.04 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.59 7.81 54 T 7.72 4.44 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 1.25 0.00 0.00 55 G 8.02 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 56 Q 7.26 3.69 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 57 E 8.60 4.61 0.00 2.06 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 2.40 2.27 0.00 58 P 0.00 4.20 0.00 2.05 2.08 0.00 4.17 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 59 L 8.11 4.00 0.00 2.05 1.80 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.11 3.92 0.00 1.91 1.93 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.54 7.81 61 V 8.12 3.57 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 1.04 0.00 0.00 1.01 0.00 0.00 62 F 8.66 4.07 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.43 3.95 0.00 2.02 1.90 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.83 1.69 7.81 64 Q 8.32 3.91 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 65 A 8.20 3.82 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 66 V 7.78 3.33 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 1.03 0.00 0.00 0.70 0.00 0.00 67 E 8.05 3.88 0.00 1.95 2.19 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 2.32 2.40 0.00 68 N 8.04 4.40 0.00 2.65 2.77 0.00 0.00 7.11 8.51 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 69 V 7.71 3.63 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 0.61 0.00 0.00 0.71 0.00 0.00 70 K 7.75 4.00 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 71 P 0.00 4.88 0.00 2.30 2.45 0.00 4.17 0.00 0.00 4.42 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 72 R 8.14 4.82 0.00 1.80 2.00 0.00 2.98 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 73 M 7.86 5.45 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 74 E 9.14 4.74 0.00 1.98 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 2.14 2.33 0.00 75 V 8.12 4.55 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 0.64 0.00 0.00 0.79 0.00 0.00 76 R 7.87 4.85 0.00 2.57 2.24 0.00 3.35 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 77 S 8.96 6.23 0.00 3.85 3.91 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 78 R 8.91 4.43 0.00 1.09 1.80 0.00 2.90 0.00 0.00 2.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 79 R 8.22 4.94 0.00 1.59 1.76 0.00 3.33 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 80 V 8.51 4.31 1.58 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 0.55 0.00 0.00 0.66 0.00 0.00 81 G 9.01 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 0.00 0.00 0.00 82 G 7.72 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 83 A 6.19 4.55 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 6.03 0.00 2.73 2.78 0.00 0.00 6.19 7.55 0.00 0.00 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 Y 8.41 4.76 0.00 2.69 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 0.00 0.00 0.00 0.00 86 Q 8.39 4.65 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 87 V 8.26 4.53 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 1.25 0.00 0.00 1.46 0.00 0.00 88 P 0.00 4.94 0.00 2.00 1.90 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 89 M 8.88 4.58 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 90 E 7.88 4.16 0.00 1.96 1.12 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 2.44 2.34 0.00 91 V 9.20 4.19 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 0.73 0.00 0.00 1.02 0.00 0.00 92 S 8.19 3.43 0.00 4.03 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 93 P 0.00 3.77 0.00 2.28 2.15 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 94 R 7.65 3.63 0.00 1.98 1.91 0.00 3.25 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 95 R 8.20 3.83 0.00 1.91 2.30 0.00 3.23 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 96 Q 8.40 3.88 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 97 Q 8.99 4.14 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.29 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 98 S 8.35 4.01 0.00 4.01 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 99 L 8.30 4.05 0.00 1.49 1.22 0.60 0.49 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 0.00 100 A 8.25 4.73 1.51 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 0.00 101 L 8.46 3.79 0.00 1.79 1.89 1.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.83 3.95 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 103 W 8.54 4.56 0.00 3.98 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 0.00 104 L 8.54 3.83 0.00 1.73 1.51 0.67 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.86 3.74 2.35 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 1.28 0.00 0.00 1.39 0.00 0.00 106 Q 8.56 4.01 0.00 2.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 107 A 8.50 3.95 1.29 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 0.00 0.00 108 A 8.25 3.97 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 0.00 109 N 8.61 4.26 0.00 2.85 2.95 0.00 0.00 7.20 8.43 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 0.00 110 Q 8.36 4.13 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 111 R 7.75 3.77 0.00 1.90 1.88 0.00 3.60 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 112 P 0.00 4.97 0.00 2.19 1.12 0.00 3.92 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 2.01 1.98 0.00 113 E 9.06 3.54 0.00 2.22 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 0.00 2.25 2.38 0.00 114 R 8.38 4.49 0.00 1.76 1.94 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 115 R 7.75 4.57 0.00 1.85 1.84 0.00 3.15 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 116 A 8.57 3.97 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 0.00 117 A 7.96 3.96 1.49 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 0.00 0.00 118 V 7.74 3.52 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 1.11 0.00 0.00 0.97 0.00 0.00 119 R 7.89 4.46 0.00 2.03 2.04 0.00 3.24 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 120 I 8.19 3.73 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.86 1.20 0.00 0.00 121 A 8.84 4.07 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 0.00 122 H 7.16 3.99 0.00 3.16 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.48 3.76 0.00 2.16 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 0.00 2.27 2.31 0.00 124 L 8.70 3.76 0.00 1.99 1.66 1.00 0.90 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 0.00 125 M 8.27 4.02 0.00 2.04 2.24 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 2.63 2.89 0.00 126 D 8.62 4.33 0.00 2.77 3.08 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 0.00 0.00 0.00 0.00 127 A 8.37 4.06 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 0.00 128 A 8.16 4.12 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 0.00 129 E 8.18 3.99 0.00 1.97 2.19 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 2.30 2.45 0.00 130 G 6.31 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 0.00 0.00 0.00 131 K 8.69 4.29 0.00 1.73 1.90 0.00 1.57 0.00 0.00 2.07 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.35 7.81 132 G 9.18 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 0.00 133 G 8.92 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 0.00 0.00 0.00 134 A 7.84 3.72 1.04 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 0.00 135 V 8.14 3.12 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 1.08 0.00 0.00 0.82 0.00 0.00 136 K 7.92 4.07 0.00 1.99 1.81 0.00 2.06 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.45 7.81 137 K 8.40 3.95 0.00 1.48 2.03 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 138 K 7.63 3.43 0.00 0.85 1.59 0.00 1.60 0.00 0.00 1.49 0.00 0.00 3.39 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 139 E 8.44 4.15 0.00 2.18 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 2.29 2.26 0.00 140 D 8.85 4.33 0.00 3.04 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 0.00 141 V 6.97 3.58 2.40 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 1.12 0.00 0.00 1.28 0.00 0.00 142 E 9.11 4.20 0.00 2.29 1.79 0.00 0.00 0.00 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 2.52 0.00 143 R 6.23 4.69 0.00 1.95 2.07 0.00 3.45 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 144 M 8.05 4.03 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 145 A 8.11 4.13 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 0.00 146 E 8.81 3.92 0.00 2.12 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 0.00 2.21 2.20 0.00 147 A 7.39 3.94 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 0.00 148 N 7.89 4.73 0.00 2.93 3.33 0.00 0.00 6.76 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 0.00 149 R 8.07 3.92 0.00 1.93 1.62 0.00 3.55 0.00 0.00 3.26 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 150 A 8.18 3.77 0.99 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 0.00 0.00 151 Y 6.89 4.14 0.00 3.44 3.23 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 0.00 152 A 8.75 4.03 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 0.00 153 H 7.50 4.12 0.00 3.25 3.43 0.00 5.58 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 0.00 154 Y 8.36 4.59 0.00 3.34 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 0.00 155 R 8.51 4.47 0.00 2.10 2.17 0.00 3.45 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 156 W 8.56 4.29 0.00 3.39 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