NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9904 8.0549 114.0579 60.9593 32.8796 175.4913 2 L 4.1187 8.3462 122.9078 51.9661 40.5986 175.2368 3 S 4.1109 8.7296 119.3470 57.4428 64.4491 175.9569 4 G 3.4922 8.7456 108.2820 49.3319 0.0000 175.1126 5 T 4.0250 8.1235 117.4674 66.4475 69.5798 175.5768 6 D 4.4646 8.5232 120.3261 55.5141 40.3372 180.2822 7 K 4.4146 7.9424 124.0817 59.8854 33.4780 176.0552 8 T 3.8965 8.9321 116.6636 65.2371 68.2378 175.9546 9 N 4.2232 8.3796 117.7238 56.8231 39.1651 177.4062 10 V 3.6748 7.7901 118.5678 66.3159 31.4625 178.1761 11 K 4.1096 8.0889 117.8542 59.1267 31.5160 179.4662 12 G 3.6695 7.9089 105.9326 47.7711 0.0000 175.3095 13 I 3.8399 7.8855 121.2331 63.3068 38.0236 177.8460 14 F 3.8558 8.3281 118.2889 61.0692 38.6088 177.9800 15 S 4.3073 7.8894 113.0530 61.0353 62.6500 176.2404 16 K 4.2242 8.6030 120.6952 58.6536 32.0496 177.9059 17 I 3.5015 7.3316 116.8562 64.8962 37.0096 176.3288 18 S 4.5978 7.7964 115.8363 58.6795 65.9710 175.1277 19 S 4.6751 7.7496 115.7726 58.0520 62.0236 173.8897 20 H 4.5302 7.3645 114.4204 55.6724 31.4304 175.9215 21 A 4.9331 7.9592 122.6240 55.0530 19.8848 179.4576 22 E 3.8019 8.9160 108.7874 60.1948 28.8518 178.8420 23 E 4.0946 9.5236 128.2196 60.2708 30.2441 178.5372 24 Y 4.3998 9.6769 118.1080 61.2760 37.8960 178.8953 25 G 4.1753 9.0175 108.0422 47.0654 0.0000 175.5033 26 A 4.0826 7.8637 122.9231 55.0927 18.3594 179.3582 27 E 3.8972 8.1770 117.4790 59.9329 29.5245 179.0761 28 T 3.3891 7.8768 115.0862 66.3098 68.1844 175.8679 29 L 3.8985 7.6997 120.0100 56.2104 42.1898 178.7769 30 E 4.2593 8.1447 118.9613 59.2107 29.3706 179.5379 31 R 3.8825 8.9440 119.2395 59.5951 30.3811 178.3967 32 M 3.9866 7.4914 117.6364 59.1746 32.0665 178.3020 33 F 4.4995 7.7564 117.3135 59.7315 38.9120 177.0531 34 I 4.0998 7.1206 116.1409 62.8293 38.4788 177.4040 35 T 3.9632 8.2277 116.3486 64.8908 69.9703 174.6397 36 Y 4.8802 7.4373 117.6559 54.6327 38.2659 173.9684 37 P 5.0266 0.0000 0.0000 64.7626 31.6928 178.8201 38 Q 4.4597 8.2431 114.4870 57.0594 28.7022 176.3690 39 T 4.6465 7.9339 109.6267 63.0431 70.0233 176.9652 40 K 4.4267 8.1443 121.7664 58.9465 32.2334 178.6871 41 T 3.8102 8.1545 112.8473 64.9517 67.1809 174.1508 42 Y 4.1578 7.9790 117.0174 59.0476 38.8531 176.1295 43 F 4.6830 8.1874 120.9098 55.5466 37.9573 173.8311 44 P 4.4775 0.0000 0.0000 65.9046 32.1351 178.4440 45 H 4.4509 8.6994 113.4198 57.7103 29.0002 175.1639 46 F 3.8871 8.0199 116.9979 57.1387 39.1906 173.4060 47 D 4.9655 8.9874 120.9308 52.9278 42.3896 175.8011 48 L 4.5274 8.3865 126.2494 54.7067 42.4193 176.1182 49 H 4.4981 8.2061 115.5507 54.8154 29.6033 174.6187 50 H 4.0693 8.7188 122.2887 58.4775 29.7877 175.1976 51 G 3.9110 8.4839 114.3740 45.3886 0.0000 172.7512 52 S 4.3692 7.9134 115.0316 56.8942 64.0265 174.6091 53 A 3.8479 8.8900 127.6417 55.7181 17.9782 179.1855 54 Q 3.7016 8.0870 115.4820 58.9824 28.5522 179.2118 55 I 4.1821 8.6734 121.7357 63.7652 37.2415 178.1499 56 K 3.9257 8.1191 117.6877 59.8179 32.1316 178.6535 57 A 4.1298 8.7516 121.2610 55.2760 18.4995 178.8409 58 H 4.1495 8.5558 115.5570 59.5580 30.1797 177.6675 59 G 3.8916 8.3983 107.2072 47.5538 0.0000 175.3176 60 K 4.0932 9.0223 122.8977 58.9933 32.3395 178.7301 61 K 3.8856 7.9784 118.3885 59.6426 32.0005 179.2136 62 V 3.5875 7.7700 117.6419 65.5660 31.6483 177.5585 63 A 3.9948 8.1138 120.2248 55.7540 18.1010 179.3275 64 N 4.3890 8.2796 114.3474 56.1367 38.3727 177.3997 65 A 4.0047 7.8369 121.4700 55.7151 18.6933 179.1122 66 L 4.0226 8.0936 117.2055 57.9434 41.2222 179.4747 67 I 3.8477 8.2104 118.7825 64.7906 37.2769 177.7476 68 E 3.9145 8.7990 119.9257 59.8081 29.3618 178.2782 69 A 3.9976 8.3489 120.4587 55.5424 18.1723 179.5133 70 V 3.0762 7.1817 116.0761 66.2953 31.4756 177.9917 71 N 4.4950 8.1150 115.4095 55.1324 38.6405 175.9877 72 H 4.8757 8.2988 117.5128 54.7520 30.6528 175.7626 73 I 3.7283 7.7954 122.7853 64.5601 37.8926 176.9099 74 D 4.4625 8.1224 114.6520 54.5965 40.8410 176.0042 75 D 5.1087 7.6277 121.4588 53.1977 43.8331 177.0560 76 I 3.9604 7.1800 123.5925 63.9002 37.0347 177.6673 77 S 4.2421 8.3269 116.2258 61.6390 62.4375 176.1351 78 G 3.8824 8.6095 105.5457 45.5670 0.0000 173.7679 79 A 4.6357 7.8897 121.1300 51.3216 20.8271 176.6080 80 L 4.6951 7.6571 113.8161 54.7186 44.7069 178.6418 81 S 4.1152 7.8777 112.8949 61.1823 62.3420 176.0858 82 K 3.5824 7.7360 115.2579 59.8621 32.6800 178.4458 83 L 3.7764 7.7121 117.2262 56.9525 41.9936 179.2135 84 S 4.3193 8.0889 114.6449 61.1464 62.0207 176.1991 85 D 4.2620 8.3584 121.2249 56.6954 40.4458 178.3314 86 L 3.9688 8.9758 122.2763 57.9113 42.0770 178.1825 87 H 4.4455 8.2015 114.9827 57.1675 28.9344 176.5624 88 A 3.6753 8.0899 121.2354 51.9675 20.0490 177.0873 89 Q 4.1703 7.5248 116.0776 57.7985 29.6647 176.1478 90 K 4.1448 7.6319 118.6902 57.7414 32.4944 178.8471 91 L 3.7062 8.0348 125.3919 56.6018 42.6832 177.9065 92 R 4.5285 7.1789 114.6382 55.9844 27.4531 175.1020 93 V 3.7930 8.7231 117.7742 61.1736 33.1474 175.1177 94 D 4.4152 8.2767 126.0981 53.4651 41.5057 175.1353 95 P 4.5854 0.0000 0.0000 65.9450 31.1058 178.8747 96 V 3.6466 7.9461 110.6071 64.2521 31.3227 178.2259 97 N 4.3575 8.7622 116.9405 55.9067 38.4644 177.2000 98 F 3.9306 7.9601 119.4254 60.4834 39.0204 177.6256 99 K 3.8914 8.2031 117.3165 59.7806 31.6245 178.5800 100 L 3.5523 7.2693 117.2377 58.3437 41.2410 179.6534 101 L 4.1232 8.1836 119.7865 58.0484 42.1433 179.3698 102 G 3.6652 7.9735 105.4438 47.3407 0.0000 175.6678 103 Q 4.0649 8.1915 122.0436 59.3834 29.0046 178.0430 104 C 4.1751 7.8783 116.5478 62.7335 28.0628 175.8777 105 F 4.5231 7.9543 123.3728 60.8036 38.7823 177.2462 106 L 3.9541 7.8188 117.1981 57.8650 41.6751 178.6011 107 V 3.6397 8.4766 119.6643 64.3618 31.3853 179.1725 108 V 3.1537 8.2691 117.5536 65.3238 32.3250 178.5895 109 V 3.1932 7.6628 118.3446 65.8338 31.1815 177.7391 110 A 4.0735 8.1135 118.7761 54.2482 18.2354 178.7648 111 I 3.9333 7.2561 117.0522 62.6100 37.6102 176.6513 112 H 4.6857 7.6240 114.4620 55.5578 30.8613 174.5000 113 H 4.8578 7.6374 118.9500 53.5778 29.7079 173.0786 114 P 4.4467 0.0000 0.0000 63.9375 31.1127 176.9476 115 S 4.5986 7.7705 112.1139 58.5031 64.8206 175.0651 116 A 4.1062 8.4163 124.0865 54.5425 18.8551 177.7102 117 L 4.3260 7.6190 118.7759 54.3553 41.3844 175.1656 118 T 4.0896 7.4340 110.9893 60.8289 69.4026 172.2363 119 P 4.3247 0.0000 0.0000 64.7245 31.6900 178.0471 120 E 3.3190 8.3930 122.1151 59.5144 30.3754 179.6726 121 V 3.8970 7.4269 117.5016 64.9009 32.1592 177.3219 122 H 4.4225 9.2350 120.2118 58.6433 29.6071 177.0115 123 A 3.9421 7.9123 122.4154 54.9222 18.2872 179.5677 124 S 4.2436 7.7430 113.2028 61.4844 62.9099 176.5168 125 L 4.3164 7.9102 122.7456 57.6678 41.5229 178.5511 126 D 4.3659 7.5710 117.8614 57.2116 41.5685 177.6492 127 K 4.0464 8.0193 118.9166 59.6607 32.1881 178.7288 128 F 4.4037 8.2234 120.5323 61.7682 39.2885 177.2221 129 L 3.7933 7.8212 117.6967 57.1330 41.3288 178.7851 130 C 4.2289 8.4209 116.9219 61.7208 28.3849 175.6625 131 A 4.0607 7.7490 122.1135 54.6362 18.0772 179.5658 132 V 3.7249 7.7257 117.1138 65.5555 31.7852 178.1784 133 G 3.6139 7.7175 104.9522 48.0625 0.0000 175.3966 134 A 3.9473 7.6535 121.8580 54.8526 17.7862 179.5095 135 V 3.5970 7.3040 115.7357 65.7188 31.7223 177.9977 136 L 4.6273 8.0679 119.0994 57.7342 41.9546 179.0504 137 T 4.4556 7.5340 106.3301 61.1600 69.0237 176.1792 138 A 3.9203 9.3978 127.7170 55.7376 18.3134 180.5384 139 K 3.8911 7.3282 113.0696 59.0333 32.2653 177.1187 140 Y 4.8428 7.9924 117.0841 57.7320 37.8715 175.9607 141 R 4.2255 7.6797 125.1226 56.7051 31.4479 174.8814 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 V 8.05 3.99 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 0.90 0.00 0.00 0.93 0.00 0.00 2 L 8.35 4.12 0.00 1.72 1.65 0.98 0.70 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 3 S 8.73 4.11 0.00 3.99 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 4 G 8.75 3.49 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 0.00 5 T 8.12 4.03 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 6 D 8.52 4.46 0.00 2.99 2.45 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 7 K 7.94 4.41 0.00 1.77 1.79 0.00 1.63 0.00 0.00 2.01 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.70 7.81 8 T 8.93 3.90 4.53 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 1.21 0.00 0.00 9 N 8.38 4.22 0.00 2.78 2.94 0.00 0.00 6.82 6.99 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 10 V 7.79 3.67 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 0.44 0.00 0.00 0.82 0.00 0.00 11 K 8.09 4.11 0.00 1.93 1.80 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.50 7.81 12 G 7.91 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 13 I 7.89 3.84 1.92 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 1.46 1.28 1.11 0.00 0.00 14 F 8.33 3.86 0.00 3.31 3.19 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 15 S 7.89 4.31 0.00 4.03 3.97 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 16 K 8.60 4.22 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 I 7.33 3.50 2.03 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.52 0.91 0.00 0.00 18 S 7.80 4.60 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.75 4.68 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.36 4.53 0.00 1.42 2.01 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.96 4.93 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 22 E 8.92 3.80 0.00 2.05 1.78 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 2.40 2.41 0.00 23 E 9.52 4.09 0.00 2.30 2.29 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 2.39 2.60 0.00 24 Y 9.68 4.40 0.00 3.12 3.18 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 25 G 9.02 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 26 A 7.86 4.08 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 27 E 8.18 3.90 0.00 2.13 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 2.30 2.38 0.00 28 T 7.88 3.39 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 1.33 0.00 0.00 29 L 7.70 3.90 0.00 1.77 1.54 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.14 4.26 0.00 2.24 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 0.00 2.45 2.71 0.00 31 R 8.94 3.88 0.00 1.76 1.92 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 32 M 7.49 3.99 0.00 1.52 2.02 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 33 F 7.76 4.50 0.00 3.24 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 34 I 7.12 4.10 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.91 0.00 0.00 35 T 8.23 3.96 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 0.14 0.00 0.00 36 Y 7.44 4.88 0.00 3.13 2.80 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 37 P 0.00 5.03 0.00 2.26 2.38 0.00 3.98 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 2.14 1.96 0.00 38 Q 8.24 4.46 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 39 T 7.93 4.65 4.35 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 1.35 0.00 0.00 40 K 8.14 4.43 0.00 1.87 1.92 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.75 7.81 41 T 8.15 3.81 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 42 Y 7.98 4.16 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.19 4.68 0.00 3.00 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 44 P 0.00 4.48 0.00 2.23 2.20 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 45 H 8.70 4.45 0.00 3.37 3.50 0.00 5.57 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 46 F 8.02 3.89 0.00 2.98 3.10 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 47 D 8.99 4.97 0.00 2.53 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 48 L 8.39 4.53 0.00 1.44 1.23 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.21 4.50 0.00 3.25 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.72 4.07 0.00 3.12 3.27 0.00 5.89 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 51 G 8.48 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 0.00 0.00 0.00 52 S 7.91 4.37 0.00 4.05 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 53 A 8.89 3.85 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 54 Q 8.09 3.70 0.00 1.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 1.90 2.21 0.00 55 I 8.67 4.18 2.08 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 1.70 0.74 1.06 0.00 0.00 56 K 8.12 3.93 0.00 1.88 1.92 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 57 A 8.75 4.13 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 58 H 8.56 4.15 0.00 3.91 3.79 0.00 5.81 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 59 G 8.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.02 4.09 0.00 1.85 2.05 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.68 7.81 61 K 7.98 3.89 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.55 7.81 62 V 7.77 3.59 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 0.94 0.00 0.00 0.96 0.00 0.00 63 A 8.11 3.99 1.50 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 0.00 0.00 64 N 8.28 4.39 0.00 2.97 2.91 0.00 0.00 6.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.84 4.00 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 66 L 8.09 4.02 0.00 2.04 2.04 0.21 0.48 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 67 I 8.21 3.85 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.43 1.06 0.00 0.00 68 E 8.80 3.91 0.00 2.05 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 2.32 2.42 0.00 69 A 8.35 4.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.18 3.08 1.68 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 0.31 0.00 0.00 -0.98 0.00 0.00 71 N 8.11 4.49 0.00 2.96 2.87 0.00 0.00 6.90 8.49 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 72 H 8.30 4.88 0.00 3.03 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.80 3.73 1.87 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.80 0.00 0.00 74 D 8.12 4.46 0.00 2.68 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 75 D 7.63 5.11 0.00 2.77 2.55 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 0.00 0.00 0.00 0.00 76 I 7.18 3.96 1.92 0.00 0.00 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 1.78 0.70 0.94 0.00 0.00 77 S 8.33 4.24 0.00 4.20 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 78 G 8.61 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.89 4.64 1.14 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 0.00 0.00 80 L 7.66 4.70 0.00 1.81 1.64 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.88 4.12 0.00 4.01 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 0.00 82 K 7.74 3.58 0.00 1.95 1.97 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.52 7.81 83 L 7.71 3.78 0.00 1.92 1.89 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.09 4.32 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.26 0.00 2.69 2.65 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 0.00 0.00 0.00 86 L 8.98 3.97 0.00 1.56 1.64 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.20 4.45 0.00 3.40 3.70 0.00 5.83 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 88 A 8.09 3.68 0.68 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 0.00 0.00 89 Q 7.52 4.17 0.00 1.88 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.08 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 90 K 7.63 4.14 0.00 1.99 1.64 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 91 L 8.03 3.71 0.00 1.62 1.74 0.73 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.18 4.53 0.00 2.09 2.12 0.00 3.18 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 93 V 8.72 3.79 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 -0.13 0.00 0.00 0.91 0.00 0.00 94 D 8.28 4.42 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.59 0.00 2.13 1.99 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 96 V 7.95 3.65 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 0.97 0.00 0.00 1.00 0.00 0.00 97 N 8.76 4.36 0.00 2.58 2.55 0.00 0.00 6.84 8.50 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 98 F 7.96 3.93 0.00 3.07 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 99 K 8.20 3.89 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.55 7.81 100 L 7.27 3.55 0.00 1.70 1.33 0.76 -0.33 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 0.00 101 L 8.18 4.12 0.00 1.57 1.54 0.79 0.97 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 0.00 102 G 7.97 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 0.00 103 Q 8.19 4.06 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 104 C 7.88 4.18 0.00 3.26 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 0.00 105 F 7.95 4.52 0.00 3.09 3.22 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 0.00 106 L 7.82 3.95 0.00 1.90 1.76 1.06 0.85 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 0.00 107 V 8.48 3.64 2.23 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 0.76 0.00 0.00 0.99 0.00 0.00 108 V 8.27 3.15 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 0.40 0.00 0.00 0.92 0.00 0.00 109 V 7.66 3.19 1.96 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 0.83 0.00 0.00 0.18 0.00 0.00 110 A 8.11 4.07 1.24 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 0.00 0.00 0.00 111 I 7.26 3.93 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.51 0.63 0.00 0.00 112 H 7.62 4.69 0.00 2.81 3.06 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.64 4.86 0.00 3.12 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.45 0.00 2.14 2.27 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 115 S 7.77 4.60 0.00 3.95 3.97 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 0.00 116 A 8.42 4.11 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 0.00 117 L 7.62 4.33 0.00 1.59 1.62 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.43 4.09 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 1.27 0.00 0.00 119 P 0.00 4.32 0.00 2.22 1.99 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 120 E 8.39 3.32 0.00 2.08 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 0.00 2.42 2.42 0.00 121 V 7.43 3.90 2.26 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 1.04 0.00 0.00 0.96 0.00 0.00 122 H 9.23 4.42 0.00 3.17 3.48 0.00 5.66 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 0.00 123 A 7.91 3.94 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 0.00 124 S 7.74 4.24 0.00 4.06 4.02 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 0.00 0.00 0.00 125 L 7.91 4.32 0.00 2.02 1.80 1.38 1.60 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 0.00 126 D 7.57 4.37 0.00 2.63 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 0.00 127 K 8.02 4.05 0.00 1.93 1.91 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.74 7.81 128 F 8.22 4.40 0.00 3.12 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 0.00 129 L 7.82 3.79 0.00 1.82 1.66 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.42 4.23 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 0.00 131 A 7.75 4.06 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 0.00 132 V 7.73 3.72 1.78 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 0.89 0.00 0.00 0.58 0.00 0.00 133 G 7.72 3.61 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 0.00 134 A 7.65 3.95 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 0.00 135 V 7.30 3.60 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 0.99 0.00 0.00 0.94 0.00 0.00 136 L 8.07 4.63 0.00 1.60 1.67 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.53 4.46 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 0.50 0.00 0.00 138 A 9.40 3.92 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 0.00 139 K 7.33 3.89 0.00 1.36 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 1.35 1.60 7.81 140 Y 7.99 4.84 0.00 3.22 2.80 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 0.00 141 R 7.68 4.23 0.00 1.86 1.76 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00