NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3185 8.1627 120.6116 54.9122 33.1794 172.8224 2 K 4.2900 8.1819 126.5552 55.7648 30.7486 167.8258 3 V 4.1579 9.5690 124.5899 61.8905 33.4410 173.9133 4 I 4.5670 8.8028 130.0770 60.1609 39.1334 174.7852 5 L 4.6262 8.7704 127.4925 53.9591 42.8754 176.7035 6 L 4.0873 9.1770 126.9563 56.5515 43.3465 178.5219 7 E 5.9800 8.3093 116.0886 54.6884 30.3650 173.3891 8 P 5.5774 0.0000 0.0000 61.3868 33.9204 174.8208 9 L 4.8279 8.0923 120.3778 54.3273 41.8670 174.7560 10 E 3.7707 8.4035 111.8279 56.2452 26.5152 174.2329 11 N 4.1280 7.5838 115.0409 52.8809 39.0432 175.5727 12 L 4.9499 7.3598 113.3955 55.1689 40.9804 179.8252 13 G 3.6922 9.4715 106.4697 47.7072 0.0000 173.8544 14 D 3.9274 9.0400 118.4527 54.1697 42.1754 173.2335 15 V 4.4389 7.1674 122.9004 63.2854 33.1258 175.5017 16 G 4.0477 8.6957 111.4143 45.5237 0.0000 173.1360 17 Q 4.6642 7.6725 117.6646 55.0884 33.9643 173.6485 18 V 5.1897 7.8179 117.7638 63.5710 34.6636 172.3260 19 V 4.5080 8.1667 126.5021 61.7124 35.9412 172.1471 20 D 5.4714 8.5615 120.6553 51.3904 42.4863 176.9144 21 V 4.2720 8.1139 127.3156 63.5116 32.2496 175.4796 22 K 3.5980 8.2045 115.0063 56.3457 32.3201 174.9263 23 P 4.6611 0.0000 0.0000 61.8773 32.0154 178.8363 24 G 4.0077 9.8468 115.6726 50.5645 0.0000 174.0555 25 Y 3.4337 7.5933 113.9503 60.8810 38.3385 178.1436 26 A 4.0336 9.2603 121.4780 54.2643 18.8507 181.0050 27 R 3.2515 9.0831 105.3277 57.7508 30.8580 177.3217 28 N 4.5213 5.7700 124.9358 55.0576 39.9498 172.7693 29 Y 4.2826 7.7127 116.5641 60.3554 38.7970 176.5363 30 L 4.6469 8.2552 117.0035 54.8156 43.2154 177.1123 31 L 4.7766 7.8721 115.7585 53.3934 43.1009 175.6361 32 P 4.3150 0.0000 0.0000 66.8348 32.0867 177.5678 33 R 4.0155 6.6172 110.2019 53.2589 33.7631 177.5677 34 G 4.1765 8.4753 102.3541 45.3711 0.0000 172.5135 35 L 4.5019 7.7979 118.2694 53.5259 43.1512 176.0340 36 A 4.3432 7.1745 118.8622 52.7864 22.7645 173.8184 37 V 4.3099 7.8015 115.4450 62.3128 33.8944 173.4751 38 L 4.9937 8.0585 117.8691 54.9946 46.8518 177.4845 39 A 3.3147 9.8304 123.0017 51.1174 20.7782 176.0419 40 T 3.5379 9.0019 126.7369 63.5574 69.0807 172.6815 41 E 3.9382 8.7404 124.2165 59.5217 29.2918 179.6284 42 S 4.0780 8.0561 112.6961 61.6223 62.5083 175.9648 43 N 4.3371 7.8851 118.6447 56.1327 38.2741 177.2678 44 L 3.9656 8.0575 120.5823 57.8203 41.7671 179.1702 45 K 3.7766 8.5151 119.3605 59.9857 32.0462 178.4870 46 A 3.8974 8.0881 120.9525 55.0951 18.3321 179.0858 47 L 3.8869 8.0182 118.6690 58.6224 42.0493 179.1383 48 E 3.9347 8.3397 118.1251 59.6542 29.2703 178.4110 49 A 3.9514 8.4874 120.7380 55.9413 18.3511 179.4457 50 R 4.0585 8.5737 114.6776 57.6536 30.4363 179.4095 51 I 3.6809 7.9365 120.6980 64.7850 37.0819 177.8350 52 R 3.8810 8.4563 118.6826 59.5331 29.7786 178.9358 53 A 3.8474 8.4531 119.4649 55.6833 18.5669 179.4484 54 Q 3.8607 8.8432 117.4361 58.8934 29.1359 178.3107 55 A 3.9953 8.2524 122.1598 55.3882 18.3744 179.8626 56 K 3.9104 8.2631 116.9232 59.3801 32.0039 179.4187 57 R 3.8586 8.2252 119.2410 59.5618 29.9293 178.4925 58 L 3.9330 8.2798 118.5513 57.6961 41.5906 179.0280 59 A 3.9748 8.1094 120.9342 55.5941 18.2056 178.7786 60 E 3.8154 8.5541 117.5130 59.7435 29.5832 179.0693 61 R 4.6024 8.1251 119.1753 59.3382 30.1739 178.3744 62 K 3.7778 8.3553 117.4655 59.9400 32.0299 178.5154 63 A 3.9655 8.3859 120.2563 55.8682 18.3906 179.4300 64 E 3.8643 8.5054 115.7808 59.6285 29.5682 179.0630 65 A 3.9329 8.1481 120.4302 55.4372 18.3416 179.1158 66 E 3.8808 8.6378 116.0899 59.7588 29.7256 180.0219 67 R 3.9282 8.1002 117.5980 59.5465 30.1265 179.1651 68 L 3.9901 8.1033 118.7291 57.3233 41.4951 179.3109 69 K 3.8368 8.4132 119.4680 60.2626 32.1550 178.8740 70 K 3.8972 8.1824 121.1315 58.8152 32.1803 178.3901 71 I 3.6754 7.8131 120.0390 64.7877 36.9172 178.4401 72 L 3.9360 7.9062 118.0743 57.9213 41.6225 179.3020 73 E 4.3651 8.2484 118.7953 58.9697 29.3363 178.2740 74 N 4.4344 8.2079 117.4911 55.4136 39.2611 175.2901 75 L 4.2400 7.8965 122.8460 55.1302 43.2020 176.0252 76 T 4.7463 8.1473 111.3142 59.7269 71.5040 174.2872 77 L 4.7315 8.8962 124.3609 54.2368 41.8879 174.2955 78 T 5.1794 8.2004 115.2261 59.8213 70.8699 174.1505 79 I 4.4775 8.5658 126.0141 58.7614 40.7607 173.4554 80 P 4.9465 0.0000 0.0000 63.1488 29.7976 176.2497 81 V 4.2770 8.7313 118.2872 59.9960 34.2583 175.1834 82 R 4.7326 9.0913 119.9704 54.9091 32.8271 174.6549 83 A 3.9280 7.9728 127.2025 52.7899 22.9453 174.6306 84 G 3.9936 7.2542 104.5886 44.8240 0.0000 173.5239 85 E 4.6523 8.3443 117.4005 56.0901 30.3817 177.5271 86 T 4.5880 7.6538 126.0270 64.5422 76.4400 177.5413 87 K 5.4409 8.9618 130.3020 55.6965 32.6789 176.5945 88 I 3.5575 8.1453 124.6360 61.2023 37.7965 176.4617 89 Y 4.4279 7.4183 118.9184 61.1073 38.0133 178.1107 90 G 4.1772 7.3981 104.6575 46.3515 0.0000 172.4735 91 S 3.1881 8.0048 109.9964 58.9910 63.9222 172.1914 92 V 4.0980 8.3249 120.7326 61.8471 30.7434 174.5429 93 T 4.6390 10.5105 123.3040 60.4171 68.3049 175.4263 94 A 4.0754 8.8491 130.8195 55.2999 18.1402 179.2739 95 K 4.0351 8.0566 117.5397 59.1622 32.1185 178.4577 96 D 5.2550 9.3511 120.1419 57.4536 40.9875 178.0266 97 I 3.5825 8.3662 118.8753 65.3479 36.9433 178.9719 98 A 3.4712 8.9274 118.0867 54.3766 19.1540 179.1957 99 E 3.8944 9.0158 114.4778 58.7687 30.2109 179.0669 100 A 4.6121 8.6248 123.7471 54.2661 18.4410 179.4217 101 L 3.8961 8.3797 117.8075 60.1224 40.5963 178.9178 102 S 4.2133 8.1250 110.8815 60.5965 62.3242 174.4425 103 R 4.3828 7.6452 123.9889 56.6674 31.2106 176.5386 104 Q 4.4099 8.2898 116.6054 57.2282 29.8853 176.6279 105 H 4.6498 9.5944 115.6449 54.7651 31.3083 173.6536 106 G 4.3115 6.5599 114.1985 44.8761 0.0000 172.1486 107 V 4.0793 6.9673 119.0333 61.0713 33.2454 175.8000 108 T 4.8715 8.0955 121.9514 62.1781 70.9233 173.8269 109 I 4.6612 7.6977 122.3446 59.4840 41.2176 175.1011 110 D 4.5228 8.5131 123.1235 52.3871 39.3453 173.5644 111 P 4.0254 0.0000 0.0000 63.3478 32.3664 181.6573 112 K 3.8290 7.5813 114.2707 54.6631 34.0297 176.2212 113 R 4.0224 5.8400 121.9814 58.0388 31.0193 176.2553 114 L 4.6321 7.9363 127.1413 54.6881 47.0189 176.6959 115 A 4.6113 8.3460 118.5167 52.4955 19.9979 174.2420 116 L 4.5120 7.7052 119.7796 52.8192 43.1615 176.0879 117 E 4.0794 8.5558 124.0389 58.1254 29.9879 177.3465 118 K 4.6676 7.5006 117.5943 53.2802 35.1176 174.6949 119 P 4.4040 0.0000 0.0000 63.2596 31.6609 175.0800 120 I 4.5004 8.4240 119.0988 59.4595 39.6896 176.0324 121 K 4.7113 8.3397 122.9397 55.5555 34.3236 177.6140 122 E 3.8065 8.3045 119.8994 57.8180 29.4879 177.9838 123 L 3.9956 7.4895 115.5815 54.8268 44.5177 174.5112 124 G 3.9372 9.0737 113.1574 43.0953 0.0000 175.4900 125 E 4.8097 7.8135 117.4467 56.4208 31.4280 176.9974 126 Y 4.9475 7.6270 117.5541 56.8137 43.1553 173.8596 127 V 5.2303 8.4441 121.4729 60.9726 33.3913 174.4242 128 L 4.8320 8.7694 128.7300 53.5319 46.2879 173.9863 129 T 5.3100 7.7606 114.3995 60.0110 68.5700 173.6192 130 Y 4.8352 9.4416 127.8516 54.8389 41.2192 175.8313 131 K 4.6372 8.7930 125.5657 54.7719 31.9924 174.9641 132 P 4.4014 0.0000 0.0000 65.6186 31.7034 176.7573 133 H 4.8952 8.4617 119.0617 53.8116 32.7602 172.1631 134 P 4.5136 0.0000 0.0000 62.5406 31.0247 176.1246 135 E 4.6565 7.7442 116.7228 57.9447 35.8182 176.1399 136 V 4.2648 8.1688 112.9222 58.6745 32.8499 171.7314 137 P 4.9396 0.0000 0.0000 60.9365 32.8211 175.0342 138 I 4.3324 8.4542 123.8724 59.8321 39.3186 174.3832 139 Q 5.8227 8.7752 128.2325 54.3185 31.5681 174.4538 140 L 4.6085 8.1830 119.3673 54.6700 43.7929 174.3777 141 K 4.5747 8.6601 120.5926 56.8978 33.0173 175.0977 142 V 4.6797 8.8560 128.1239 61.5529 32.9870 174.3852 143 S 5.0530 9.1244 123.7268 56.3716 66.0845 173.5206 144 V 4.7345 8.6535 121.7936 60.5349 34.9991 174.3733 145 V 4.6707 8.4660 120.4845 61.3789 35.4620 172.7896 146 A 4.5577 8.6434 127.2017 52.3033 18.9064 177.6278 147 Q 4.2866 9.6036 120.3023 57.4814 29.2161 176.0032 148 E 4.1089 7.5050 121.3853 56.1010 30.6438 176.1010 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 8.16 4.32 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 K 8.18 4.29 0.00 1.96 1.71 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.50 7.81 3 V 9.57 4.16 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 0.90 0.00 0.00 1.05 0.00 0.00 4 I 8.80 4.57 1.93 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 1.45 0.87 0.92 0.00 0.00 5 L 8.77 4.63 0.00 1.59 1.67 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.18 4.09 0.00 1.73 1.70 0.96 0.77 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 7 E 8.31 5.98 0.00 2.08 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 2.28 2.59 0.00 8 P 0.00 5.58 0.00 2.12 2.00 0.00 3.46 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 1.85 2.13 0.00 9 L 8.09 4.83 0.00 1.74 1.67 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.40 3.77 0.00 2.15 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 2.20 2.35 0.00 11 N 7.58 4.13 0.00 2.90 2.98 0.00 0.00 6.12 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 12 L 7.36 4.95 0.00 1.73 1.73 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.47 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 14 D 9.04 3.93 0.00 2.84 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 15 V 7.17 4.44 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 0.85 0.00 0.00 0.99 0.00 0.00 16 G 8.70 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.67 4.66 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 18 V 7.82 5.19 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 0.99 0.00 0.00 19 V 8.17 4.51 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 0.92 0.00 0.00 0.96 0.00 0.00 20 D 8.56 5.47 0.00 2.67 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 21 V 8.11 4.27 2.21 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 1.06 0.00 0.00 0.96 0.00 0.00 22 K 8.20 3.60 0.00 0.85 0.74 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 0.82 7.81 23 P 0.00 4.66 0.00 2.64 1.51 0.00 3.12 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 24 G 9.85 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 0.00 0.00 0.00 25 Y 7.59 3.43 0.00 3.46 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 26 A 9.26 4.03 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 27 R 9.08 3.25 0.00 2.13 1.70 0.00 3.20 0.00 0.00 3.14 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 28 N 5.77 4.52 0.00 2.59 2.35 0.00 0.00 7.25 6.82 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 29 Y 7.71 4.28 0.00 3.48 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 30 L 8.26 4.65 0.00 1.79 1.76 1.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.87 4.78 0.00 1.62 1.64 1.03 1.03 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 32 P 0.00 4.31 0.00 2.12 2.33 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 33 R 6.62 4.02 0.00 2.08 1.78 0.00 3.20 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 34 G 8.48 4.18 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 0.00 35 L 7.80 4.50 0.00 1.67 1.68 0.93 0.91 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 36 A 7.17 4.34 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 37 V 7.80 4.31 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 1.11 0.00 0.00 0.93 0.00 0.00 38 L 8.06 4.99 0.00 1.62 1.46 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.83 3.31 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 40 T 9.00 3.54 4.34 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 1.25 0.00 0.00 41 E 8.74 3.94 0.00 2.01 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 2.41 2.38 0.00 42 S 8.06 4.08 0.00 3.88 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 43 N 7.89 4.34 0.00 3.05 2.85 0.00 0.00 7.09 7.97 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 44 L 8.06 3.97 0.00 1.68 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.52 3.78 0.00 1.94 2.06 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 46 A 8.09 3.90 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 47 L 8.02 3.89 0.00 1.78 1.93 0.92 0.85 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 48 E 8.34 3.93 0.00 2.26 1.98 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 2.33 2.37 0.00 49 A 8.49 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 50 R 8.57 4.06 0.00 1.88 1.98 0.00 3.14 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 I 7.94 3.68 1.94 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 1.52 0.85 0.91 0.00 0.00 52 R 8.46 3.88 0.00 2.08 1.94 0.00 3.16 0.00 0.00 3.17 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 53 A 8.45 3.85 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 54 Q 8.84 3.86 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 55 A 8.25 4.00 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 56 K 8.26 3.91 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 57 R 8.23 3.86 0.00 2.05 2.02 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 58 L 8.28 3.93 0.00 1.85 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.11 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 60 E 8.55 3.82 0.00 2.02 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 0.00 2.30 2.51 0.00 61 R 8.13 4.60 0.00 1.84 1.85 0.00 3.34 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 62 K 8.36 3.78 0.00 2.01 1.86 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.69 7.81 63 A 8.39 3.97 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 64 E 8.51 3.86 0.00 2.00 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 2.32 2.44 0.00 65 A 8.15 3.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 3.88 0.00 2.20 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 2.35 2.44 0.00 67 R 8.10 3.93 0.00 2.02 1.99 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 68 L 8.10 3.99 0.00 1.79 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.41 3.84 0.00 1.95 2.28 0.00 1.32 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.72 7.81 70 K 8.18 3.90 0.00 2.03 1.83 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 I 7.81 3.68 1.85 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 1.52 0.70 0.89 0.00 0.00 72 L 7.91 3.94 0.00 1.60 1.67 0.88 1.17 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 73 E 8.25 4.37 0.00 1.99 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 2.54 2.29 0.00 74 N 8.21 4.43 0.00 2.78 3.04 0.00 0.00 7.14 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 75 L 7.90 4.24 0.00 1.62 1.54 0.99 1.03 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 76 T 8.15 4.75 4.23 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 1.21 0.00 0.00 77 L 8.90 4.73 0.00 1.62 1.76 0.83 0.79 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 78 T 8.20 5.18 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 1.18 0.00 0.00 79 I 8.57 4.48 1.85 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 1.21 0.89 0.90 0.00 0.00 80 P 0.00 4.95 0.00 1.93 2.03 0.00 3.65 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 2.02 2.10 0.00 81 V 8.73 4.28 2.04 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 0.69 0.00 0.00 0.98 0.00 0.00 82 R 9.09 4.73 0.00 1.75 1.96 0.00 3.54 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 83 A 7.97 3.93 0.30 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 84 G 7.25 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 0.00 0.00 0.00 85 E 8.34 4.65 0.00 1.94 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 0.00 2.31 2.38 0.00 86 T 7.65 4.59 4.23 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 1.21 0.00 0.00 87 K 8.96 5.44 0.00 1.73 1.75 0.00 1.97 0.00 0.00 2.37 0.00 0.00 2.84 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.45 7.81 88 I 8.15 3.56 1.83 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 1.36 0.59 0.91 0.00 0.00 89 Y 7.42 4.43 0.00 3.07 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 90 G 7.40 4.18 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 0.00 91 S 8.00 3.19 0.00 4.10 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 92 V 8.32 4.10 2.39 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 1.00 0.00 0.00 1.00 0.00 0.00 93 T 10.51 4.64 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 1.30 0.00 0.00 94 A 8.85 4.08 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 95 K 8.06 4.04 0.00 1.82 1.83 0.00 1.76 0.00 0.00 2.09 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 96 D 9.35 5.25 0.00 2.90 2.73 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 97 I 8.37 3.58 2.22 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.74 0.00 0.00 98 A 8.93 3.47 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 99 E 9.02 3.89 0.00 2.25 2.21 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 2.29 2.44 0.00 100 A 8.62 4.61 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.90 0.00 1.79 1.87 0.90 0.99 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 0.00 102 S 8.12 4.21 0.00 3.98 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 0.00 103 R 7.65 4.38 0.00 1.85 1.91 0.00 3.30 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 104 Q 8.29 4.41 0.00 2.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.33 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 105 H 9.59 4.65 0.00 3.05 3.35 0.00 5.86 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 0.00 106 G 6.56 4.31 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 0.00 107 V 6.97 4.08 2.04 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 0.98 0.00 0.00 0.91 0.00 0.00 108 T 8.10 4.87 4.23 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 1.20 0.00 0.00 109 I 7.70 4.66 1.83 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 1.45 0.30 0.92 0.00 0.00 110 D 8.51 4.52 0.00 2.79 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 0.00 111 P 0.00 4.03 0.00 2.22 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 112 K 7.58 3.83 0.00 2.14 1.86 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 113 R 5.84 4.02 0.00 1.94 2.03 0.00 3.24 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 0.00 114 L 7.94 4.63 0.00 1.95 1.53 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.35 4.61 0.80 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 0.00 116 L 7.71 4.51 0.00 1.62 1.58 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.56 4.08 0.00 1.95 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 2.28 2.35 0.00 118 K 7.50 4.67 0.00 1.68 1.67 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 119 P 0.00 4.40 0.00 2.22 2.11 0.00 3.73 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 2.01 2.00 0.00 120 I 8.42 4.50 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.67 1.14 0.00 0.00 121 K 8.34 4.71 0.00 1.80 1.81 0.00 1.97 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 122 E 8.30 3.81 0.00 2.22 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 0.00 2.37 2.21 0.00 123 L 7.49 4.00 0.00 1.87 1.85 0.91 1.19 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 0.00 124 G 9.07 3.94 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 0.00 0.00 0.00 125 E 7.81 4.81 0.00 1.85 1.65 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 1.92 1.99 0.00 126 Y 7.63 4.95 0.00 2.95 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 0.00 127 V 8.44 5.23 2.14 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 1.01 0.00 0.00 0.97 0.00 0.00 128 L 8.77 4.83 0.00 1.95 1.09 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.76 5.31 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 1.01 0.00 0.00 130 Y 9.44 4.84 0.00 2.92 2.89 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 0.00 131 K 8.79 4.64 0.00 1.86 1.88 0.00 1.51 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.48 7.81 132 P 0.00 4.40 0.00 2.23 2.26 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 133 H 8.46 4.90 0.00 3.20 3.16 0.00 5.81 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 0.00 134 P 0.00 4.51 0.00 2.15 2.12 0.00 3.56 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 1.74 1.94 0.00 135 E 7.74 4.66 0.00 1.89 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 2.14 2.28 0.00 136 V 8.17 4.26 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 1.06 0.00 0.00 137 P 0.00 4.94 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 138 I 8.45 4.33 1.91 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 1.26 1.68 1.06 0.00 0.00 139 Q 8.78 5.82 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 140 L 8.18 4.61 0.00 1.68 1.71 0.76 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.66 4.57 0.00 1.85 2.05 0.00 1.47 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.43 7.81 142 V 8.86 4.68 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 1.03 0.00 0.00 1.14 0.00 0.00 143 S 9.12 5.05 0.00 3.86 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 0.00 144 V 8.65 4.73 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 0.71 0.00 0.00 0.92 0.00 0.00 145 V 8.47 4.67 2.04 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 0.81 0.00 0.00 0.93 0.00 0.00 146 A 8.64 4.56 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 0.00 147 Q 9.60 4.29 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.27 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 148 E 7.50 4.11 0.00 2.20 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 0.00 2.27 2.41 0.00