NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3718 8.1627 120.3226 54.8499 32.8455 172.1977 2 H 4.1009 8.2487 127.4153 55.2578 30.1046 172.5227 3 L 4.6873 10.8200 121.9729 53.4661 44.6281 177.4353 4 T 4.2143 8.8584 120.1529 62.1123 70.6654 174.2248 5 P 4.3994 0.0000 0.0000 66.0540 31.3855 178.9006 6 E 3.9786 8.1306 115.1250 58.9667 29.5212 178.6880 7 E 4.0038 7.8438 119.4158 58.8464 29.8395 178.7196 8 K 3.8492 8.9180 119.6964 59.4660 32.1141 179.2674 9 S 4.0434 8.2479 113.2609 61.3777 61.7564 176.1273 10 A 4.0156 7.7324 123.2063 54.9362 18.0667 179.8483 11 V 3.2837 7.6274 116.6599 66.3748 31.7838 178.1846 12 T 3.9301 7.9877 115.2696 66.8603 68.1436 176.4088 13 A 4.0677 7.8417 121.0561 55.0945 18.7234 179.1308 14 L 3.9506 7.8104 118.1876 58.0065 42.0991 179.0406 15 W 4.3774 8.6993 128.6320 60.2284 30.4648 178.0491 16 G 3.7797 8.1384 104.5118 46.7057 0.0000 174.0329 17 K 4.4375 7.5674 118.3139 56.0630 32.8120 176.4561 18 V 3.7014 7.3982 120.5128 61.9757 32.1006 175.7755 19 N 4.4580 8.3614 125.4317 52.7280 38.9223 175.4551 20 V 3.4995 8.1010 128.6976 65.8787 31.7632 177.2858 21 D 4.3326 8.0766 118.1733 57.4610 40.7636 178.5598 22 E 3.9104 8.4572 118.9083 59.4282 29.4431 179.6508 23 V 3.5634 7.8271 118.4539 65.6512 31.5301 178.3193 24 G 3.6747 8.3876 105.9368 47.8206 0.0000 175.8909 25 G 3.6227 7.8510 108.2676 47.3923 0.0000 175.4095 26 E 3.9107 8.3502 121.5384 58.8056 29.6675 178.7435 27 A 3.9589 8.3133 121.3446 55.1442 18.5199 179.4287 28 L 4.0893 8.0682 119.0435 57.8016 42.1636 179.4548 29 G 3.5312 8.0362 105.9030 47.9762 0.0000 175.8926 30 R 3.9547 8.3413 121.7197 58.6001 30.0317 178.9134 31 L 4.1215 8.0196 120.0915 58.4142 41.7546 179.2076 32 L 4.2411 7.8655 119.4868 56.7282 41.2485 179.4976 33 V 3.7269 7.3040 117.1666 65.5226 31.7843 177.9296 34 V 3.6485 8.1701 117.2106 64.3019 32.7087 175.5520 35 Y 4.9425 7.6641 115.5786 53.2471 38.1205 173.9016 36 P 4.5321 0.0000 0.0000 64.6894 31.6608 177.4158 37 E 3.9518 8.4444 117.4069 59.6660 29.4167 179.0403 38 T 4.2735 8.3648 109.1889 64.1539 68.7674 176.3077 39 Q 4.3721 8.4037 121.7783 58.3262 28.4180 178.2569 40 R 3.7783 7.4440 116.3567 58.7771 29.1655 177.7993 41 F 4.4285 7.1925 115.7143 57.2060 39.5085 175.7814 42 F 4.6930 7.9938 118.6558 56.7602 39.8332 177.1178 43 E 4.0056 8.5215 123.1596 59.7189 29.3264 179.1158 44 S 4.4213 8.0193 109.8998 59.3440 63.4114 174.7262 45 F 4.5431 8.3164 120.1210 58.2553 39.7293 175.1573 46 G 4.0057 7.3130 105.2163 44.1020 0.0000 173.1718 47 D 4.5933 8.7043 123.1437 54.2043 41.6787 176.5459 48 L 4.9447 8.3031 126.3634 54.5465 43.3495 177.9287 49 S 4.3065 8.3380 116.6341 60.5080 63.4314 174.6599 50 T 4.7448 7.4332 109.8370 58.2929 72.9592 172.8140 51 P 4.2158 0.0000 0.0000 66.0288 31.5190 178.6949 52 D 4.3730 8.1175 116.8696 57.2087 40.7145 178.6465 53 A 3.9650 7.9094 120.8985 55.0644 18.2133 179.7509 54 V 3.5382 7.6783 115.4159 66.6863 31.7676 178.0175 55 M 4.2685 8.3519 117.2913 57.9422 31.7963 178.4137 56 G 3.9173 7.8050 104.4470 45.0828 0.0000 173.3465 57 N 4.2486 7.8796 120.5438 53.4089 39.3000 173.6934 58 P 4.2948 0.0000 0.0000 65.7395 31.3168 178.6065 59 K 3.7257 7.9416 118.1069 58.7912 31.8609 179.2562 60 V 3.6915 7.8384 118.4708 66.0003 31.4602 178.1573 61 K 3.8817 7.9561 117.9467 59.5520 31.7698 179.2454 62 A 3.9992 8.0274 120.9345 55.3928 18.2163 179.2203 63 H 4.4479 8.7061 117.3273 59.1457 29.8296 177.7260 64 G 3.5708 8.3293 108.0145 47.6255 0.0000 175.6033 65 K 3.9736 7.9353 121.7347 58.9413 32.1827 178.9537 66 K 3.9489 7.9268 120.0003 59.4686 32.2710 178.7033 67 V 3.6087 7.9261 118.7198 66.3091 31.3734 177.8630 68 L 4.3372 8.4001 119.7906 57.5808 41.8295 179.2885 69 G 3.6580 8.1913 105.9906 47.9421 0.0000 175.5725 70 A 4.1844 8.1745 123.9382 54.7023 18.0861 179.6021 71 F 4.1155 8.1270 118.3126 61.5862 39.8396 176.9360 72 S 4.3013 8.7015 115.2045 62.2394 62.9060 176.7283 73 D 4.5330 8.3243 121.1632 57.3913 40.4263 179.2419 74 G 3.4558 7.8930 105.7018 47.4084 0.0000 175.3801 75 L 3.8400 7.4386 119.3590 56.1203 41.6114 177.9951 76 A 4.5459 7.4771 119.1538 51.9469 19.3895 176.4976 77 H 4.8147 7.9829 115.2872 55.2543 29.9763 175.8436 78 L 3.5706 8.0877 121.4997 57.5676 41.4761 178.0861 79 D 4.5297 7.8744 116.2371 55.4907 42.0145 176.1208 80 N 4.9960 9.0002 119.1104 51.3909 39.6131 174.8242 81 L 3.9346 7.8464 123.1032 57.8316 41.9385 179.4209 82 K 4.0514 8.0796 118.0604 59.5782 31.8419 179.4780 83 G 3.6424 7.9014 104.3169 48.1108 0.0000 175.6165 84 T 3.7935 7.6112 117.1671 65.3769 68.5925 175.8729 85 F 4.8450 7.8131 117.0661 56.9083 39.3642 177.1459 86 A 4.0816 7.5922 121.8770 55.7706 18.1823 180.2922 87 T 3.8469 7.8893 107.3324 65.1229 68.8861 176.4210 88 L 4.1245 7.9987 121.4133 57.2643 41.6186 179.3645 89 S 4.4069 8.4306 115.0837 60.8789 62.2979 175.8906 90 E 3.8566 8.2865 121.3157 59.4291 29.2072 179.1833 91 L 3.8801 8.0152 120.1337 58.5377 42.1471 178.6978 92 H 4.0790 8.4155 116.1590 58.8464 28.1477 177.3734 93 C 3.4639 7.8551 120.4488 62.4588 31.1685 175.4223 94 D 4.0992 8.6484 120.4083 56.2578 40.5170 177.4527 95 K 4.2564 7.7208 116.7169 57.5387 33.5384 177.2566 96 L 4.1678 7.8526 116.3427 54.6340 42.5330 176.0691 97 H 4.0445 7.0037 114.9654 56.5399 26.6723 175.2372 98 V 3.8166 7.6253 117.7173 61.1014 32.5765 174.7865 99 D 4.3508 8.6742 127.2548 53.6422 41.5623 175.0967 100 P 2.9700 0.0000 0.0000 64.5777 31.6494 177.9868 101 E 3.7809 8.1426 119.0389 59.2025 29.2960 178.4915 102 N 4.2404 8.1311 116.7895 55.9458 38.4743 177.2771 103 F 4.5096 7.5842 119.7216 60.5611 38.9122 177.8758 104 R 3.9831 7.9159 117.3509 59.1267 29.9753 178.7638 105 L 3.8075 7.5356 118.9480 57.6836 41.5315 179.4013 106 L 4.0890 8.0923 120.3190 57.9373 42.0440 178.8732 107 G 3.8476 8.1516 105.7646 48.3057 0.0000 175.3120 108 N 4.4384 8.2123 119.3936 55.6813 38.5026 177.6949 109 V 3.6332 8.0062 119.7069 65.9297 31.5614 177.5982 110 L 3.8601 8.5383 120.3928 58.3627 41.8351 179.1748 111 V 3.5539 7.7568 117.9163 66.2937 31.4535 177.8055 112 C 4.1621 8.2006 116.4761 62.6032 27.8999 176.3056 113 V 3.5186 7.8215 120.0470 65.9377 31.0852 178.0730 114 L 3.8767 7.8870 118.6902 57.7039 41.3549 179.4496 115 A 3.7066 7.2252 120.6420 55.1731 18.0504 179.1642 116 H 4.0196 8.0608 116.0523 59.6556 29.9761 176.9813 117 H 4.1719 8.0898 117.1390 58.2955 28.9766 177.0193 118 F 4.6550 8.5427 117.9924 55.1190 39.5793 178.4007 119 G 3.9348 8.8574 107.9849 46.1748 0.0000 176.4220 120 K 3.9975 9.2740 122.2335 59.1580 32.0035 177.5274 121 E 4.0884 8.2817 118.6279 58.3653 30.2272 177.0165 122 F 4.5279 7.9177 123.5501 57.1462 37.9611 175.0971 123 T 4.2452 7.2143 115.3061 60.2804 71.5841 173.6528 124 P 4.1666 0.0000 0.0000 65.5362 31.2834 177.1192 125 P 4.2236 0.0000 0.0000 65.4966 31.2528 178.8656 126 V 3.5081 7.2282 115.7651 65.8378 31.3474 177.6772 127 Q 3.6506 7.8619 119.4673 59.2175 28.9331 178.3072 128 A 3.9854 8.0053 121.3266 55.2147 18.4733 179.5152 129 A 3.9291 7.8558 118.8683 55.5151 18.3692 179.5408 130 Y 4.0116 8.1812 115.2529 61.1772 38.0234 178.6839 131 Q 4.1458 8.6567 119.6506 58.7550 28.7610 178.8255 132 K 4.0172 7.9950 119.2798 59.3265 32.0330 179.6255 133 V 3.5070 7.6478 118.0822 66.0512 31.4930 178.3246 134 V 3.8360 8.3707 118.1946 65.9194 31.2410 177.8869 135 A 4.1532 8.1601 120.5506 54.7130 18.2676 179.6240 136 G 3.6276 8.1924 104.4079 48.1220 0.0000 176.0107 137 V 3.4162 8.1568 121.3339 65.3251 31.5679 177.7555 138 A 3.8607 7.9238 120.4871 55.4439 18.0114 179.4045 139 N 4.2989 8.2653 113.6738 56.4133 38.7541 177.2808 140 A 4.1783 7.9884 122.2133 55.0552 18.5934 179.6896 141 L 3.8240 8.1122 117.4715 57.1261 41.6774 178.7197 142 A 4.3277 7.8694 119.5465 53.1755 18.6768 178.5946 143 H 4.1601 7.7750 117.3752 59.0046 29.9966 176.0380 144 K 4.4383 8.2215 115.8985 56.2750 32.0005 176.3679 145 Y 3.9949 7.9824 117.9454 58.3532 38.3276 175.8659 146 H 4.4791 8.1915 118.2457 56.0390 28.4959 173.1373 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 4.37 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 2 H 8.25 4.10 0.00 3.16 3.29 0.00 5.71 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 3 L 10.82 4.69 0.00 1.67 1.48 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.86 4.21 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 1.22 0.00 0.00 5 P 0.00 4.40 0.00 2.12 2.09 0.00 3.55 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 2.09 2.13 0.00 6 E 8.13 3.98 0.00 2.13 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 2.33 2.32 0.00 7 E 7.84 4.00 0.00 2.23 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 2.33 2.34 0.00 8 K 8.92 3.85 0.00 1.60 1.78 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.49 7.81 9 S 8.25 4.04 0.00 3.93 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 10 A 7.73 4.02 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 11 V 7.63 3.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.48 0.00 0.00 12 T 7.99 3.93 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 1.25 0.00 0.00 13 A 7.84 4.07 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 14 L 7.81 3.95 0.00 1.87 1.97 0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.70 4.38 0.00 3.81 3.31 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 16 G 8.14 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 17 K 7.57 4.44 0.00 2.10 2.06 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 18 V 7.40 3.70 1.17 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 0.08 0.00 0.00 0.71 0.00 0.00 19 N 8.36 4.46 0.00 2.71 2.60 0.00 0.00 6.85 7.71 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 20 V 8.10 3.50 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 1.19 0.00 0.00 0.85 0.00 0.00 21 D 8.08 4.33 0.00 2.92 2.68 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 0.00 0.00 0.00 0.00 22 E 8.46 3.91 0.00 1.94 1.95 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 2.29 2.45 0.00 23 V 7.83 3.56 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.64 0.00 0.00 24 G 8.39 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.91 0.00 2.21 1.89 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 2.25 2.27 0.00 27 A 8.31 3.96 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 28 L 8.07 4.09 0.00 1.76 1.63 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.04 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.34 3.95 0.00 1.90 1.99 0.00 3.10 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 31 L 8.02 4.12 0.00 1.97 1.94 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.24 0.00 1.89 1.77 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.30 3.73 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 0.76 0.00 0.00 0.95 0.00 0.00 34 V 8.17 3.65 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 0.04 0.00 0.00 0.85 0.00 0.00 35 Y 7.66 4.94 0.00 3.22 2.82 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 36 P 0.00 4.53 0.00 2.17 2.13 0.00 3.93 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 2.12 2.04 0.00 37 E 8.44 3.95 0.00 2.09 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 2.43 2.48 0.00 38 T 8.36 4.27 4.49 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 1.38 0.00 0.00 39 Q 8.40 4.37 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 40 R 7.44 3.78 0.00 1.61 1.88 0.00 2.84 0.00 0.00 2.49 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 41 F 7.19 4.43 0.00 1.87 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 42 F 7.99 4.69 0.00 2.82 2.22 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 0.00 43 E 8.52 4.01 0.00 2.00 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 2.35 2.21 0.00 44 S 8.02 4.42 0.00 4.12 4.08 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 45 F 8.32 4.54 0.00 3.17 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 46 G 7.31 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 47 D 8.70 4.59 0.00 2.66 2.61 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 48 L 8.30 4.94 0.00 1.65 1.62 1.05 1.04 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 49 S 8.34 4.31 0.00 3.96 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 50 T 7.43 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.22 0.00 2.16 2.13 0.00 3.59 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 2.10 2.17 0.00 52 D 8.12 4.37 0.00 2.68 2.71 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 0.00 0.00 0.00 53 A 7.91 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 54 V 7.68 3.54 2.22 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 0.94 0.00 0.00 0.98 0.00 0.00 55 M 8.35 4.27 0.00 1.97 2.10 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 2.61 2.90 0.00 56 G 7.81 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 57 N 7.88 4.25 0.00 2.93 2.88 0.00 0.00 6.79 7.25 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 58 P 0.00 4.29 0.00 2.24 2.25 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 7.94 3.73 0.00 1.53 0.74 0.00 1.17 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.25 7.81 60 V 7.84 3.69 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 1.09 0.00 0.00 1.10 0.00 0.00 61 K 7.96 3.88 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 A 8.03 4.00 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 63 H 8.71 4.45 0.00 3.48 3.45 0.00 5.79 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 64 G 8.33 3.57 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 0.00 65 K 7.94 3.97 0.00 1.83 2.03 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 7.93 3.95 0.00 1.90 2.07 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.53 7.81 67 V 7.93 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 68 L 8.40 4.34 0.00 2.02 1.80 0.87 1.48 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 69 G 8.19 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.17 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.13 4.12 0.00 3.09 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 4.30 0.00 4.44 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 73 D 8.32 4.53 0.00 2.70 2.70 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 74 G 7.89 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 3.84 0.00 1.53 1.44 -0.34 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.55 1.22 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 0.00 0.00 0.00 77 H 7.98 4.81 0.00 3.10 3.11 0.00 5.83 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 78 L 8.09 3.57 0.00 1.54 1.65 0.81 0.92 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 79 D 7.87 4.53 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.00 5.00 0.00 2.54 2.59 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.85 3.93 0.00 1.74 1.82 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.08 4.05 0.00 1.78 1.80 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.44 7.81 83 G 7.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 3.79 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 0.49 0.00 0.00 85 F 7.81 4.84 0.00 3.14 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 86 A 7.59 4.08 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 87 T 7.89 3.85 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 1.22 0.00 0.00 88 L 8.00 4.12 0.00 2.07 1.85 1.03 1.03 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 89 S 8.43 4.41 0.00 4.16 4.12 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 90 E 8.29 3.86 0.00 2.24 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 2.34 2.51 0.00 91 L 8.02 3.88 0.00 1.78 1.85 0.90 0.92 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 92 H 8.42 4.08 0.00 3.60 3.74 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.86 3.46 0.00 1.23 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 94 D 8.65 4.10 0.00 2.60 2.68 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 0.00 0.00 0.00 0.00 95 K 7.72 4.26 0.00 1.79 1.77 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 96 L 7.85 4.17 0.00 1.63 1.57 0.69 0.97 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 97 H 7.00 4.04 0.00 3.26 3.37 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.63 3.82 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 0.16 0.00 0.00 0.40 0.00 0.00 99 D 8.67 4.35 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 100 P 0.00 2.97 0.00 1.89 1.70 0.00 3.38 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 0.00 101 E 8.14 3.78 0.00 2.06 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 2.23 2.30 0.00 102 N 8.13 4.24 0.00 2.57 2.74 0.00 0.00 6.89 8.26 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 0.00 103 F 7.58 4.51 0.00 3.07 2.88 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 0.00 104 R 7.92 3.98 0.00 1.96 1.96 0.00 3.23 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.54 3.81 0.00 1.64 1.34 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.09 0.00 1.84 1.88 0.94 1.14 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 0.00 107 G 8.15 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 0.00 0.00 0.00 108 N 8.21 4.44 0.00 2.81 2.95 0.00 0.00 6.74 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 0.00 109 V 8.01 3.63 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.20 0.00 0.00 110 L 8.54 3.86 0.00 1.70 1.80 0.89 0.63 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 0.00 111 V 7.76 3.55 2.31 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 1.24 0.00 0.00 1.16 0.00 0.00 112 C 8.20 4.16 0.00 3.20 2.97 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 0.00 0.00 0.00 113 V 7.82 3.52 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 0.91 0.00 0.00 0.91 0.00 0.00 114 L 7.89 3.88 0.00 1.02 1.12 0.63 1.00 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 0.00 115 A 7.23 3.71 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 0.00 116 H 8.06 4.02 0.00 3.18 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.09 4.17 0.00 2.81 2.62 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.54 4.65 0.00 3.24 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 0.00 119 G 8.86 3.93 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 0.00 0.00 0.00 120 K 9.27 4.00 0.00 1.82 1.95 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.42 7.81 121 E 8.28 4.09 0.00 2.27 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 2.32 0.00 122 F 7.92 4.53 0.00 3.11 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 0.00 123 T 7.21 4.25 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 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.14 0.00 3.58 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 2.11 2.19 0.00 125 P 0.00 4.22 0.00 2.11 2.07 0.00 3.48 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 2.09 2.12 0.00 126 V 7.23 3.51 1.88 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 0.97 0.00 0.00 0.88 0.00 0.00 127 Q 7.86 3.65 0.00 1.75 2.12 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 2.42 2.56 0.00 128 A 8.01 3.99 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 0.00 129 A 7.86 3.93 1.22 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 0.00 0.00 0.00 130 Y 8.18 4.01 0.00 3.28 3.21 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 0.00 131 Q 8.66 4.15 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 132 K 8.00 4.02 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.66 7.81 133 V 7.65 3.51 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 0.90 0.00 0.00 0.77 0.00 0.00 134 V 8.37 3.84 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 1.03 0.00 0.00 1.13 0.00 0.00 135 A 8.16 4.15 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 0.00 136 G 8.19 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.16 3.42 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 0.73 0.00 0.00 0.70 0.00 0.00 138 A 7.92 3.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.27 4.30 0.00 2.89 2.90 0.00 0.00 7.07 7.42 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 0.00 140 A 7.99 4.18 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 0.00 141 L 8.11 3.82 0.00 0.99 0.72 -0.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.87 4.33 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 0.00 143 H 7.77 4.16 0.00 3.27 3.57 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.22 4.44 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.72 7.81 145 Y 7.98 3.99 0.00 3.12 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 0.00 146 H 8.19 4.48 0.00 3.18 3.23 0.00 5.75 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