NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9794 8.3549 109.7420 45.4191 0.0000 173.2114 2 L 4.3738 8.1315 125.1401 51.1846 43.7970 175.4730 3 S 4.5467 10.3952 119.6835 57.8537 66.4058 174.8243 4 D 4.6664 8.6874 120.8587 57.3945 40.5365 179.1969 5 G 3.6438 8.0767 105.9459 47.6948 0.0000 175.4282 6 E 3.8753 8.0224 120.6084 59.0753 29.5160 179.3270 7 W 4.3933 8.1046 118.8594 60.0351 29.1426 178.6329 8 Q 4.1029 8.3086 117.7691 59.0537 28.2160 178.8078 9 L 4.0395 7.8029 119.4427 57.7597 41.5788 179.5909 10 V 3.6744 7.8877 118.0374 66.3805 31.6196 178.1868 11 L 4.1909 8.3702 118.4738 57.6562 41.1674 179.4645 12 N 4.3773 8.1180 115.9411 56.6213 38.9446 177.6187 13 V 3.8043 7.9519 113.7976 64.0368 31.6244 178.3998 14 W 4.1811 8.7775 128.6213 60.3370 30.2069 178.0850 15 G 3.6707 7.8080 104.9333 47.7737 0.0000 175.4680 16 K 4.0061 7.8216 120.4614 59.0637 32.0097 179.6828 17 V 2.7887 6.8703 118.0268 65.5341 31.0978 177.6593 18 E 3.8093 7.5315 116.8855 58.3750 29.3375 178.2305 19 A 4.2370 7.2841 118.7704 52.7902 19.9778 177.3570 20 D 4.5981 7.7507 115.0395 52.4311 43.3953 175.8150 21 V 3.5329 7.6764 124.5311 66.0414 32.2226 176.7167 22 A 4.0457 8.0429 120.1248 54.9657 18.0638 179.4137 23 G 3.6699 7.9089 105.4101 47.9380 0.0000 175.7018 24 H 4.1862 8.1997 119.2546 57.9242 28.6319 178.3181 25 G 3.5258 8.3115 107.9424 47.6297 0.0000 175.4965 26 Q 3.8386 8.1203 122.2173 59.0994 29.1397 178.4019 27 E 3.8420 7.7884 119.6229 59.1279 29.3545 179.5109 28 V 3.4879 7.7898 118.3879 66.0806 31.6029 178.1997 29 L 3.4075 7.8057 118.6427 57.3400 41.3025 179.4912 30 I 3.6051 7.6765 120.0164 64.3215 37.0436 178.4764 31 R 3.8170 7.8338 118.7378 59.1907 29.9592 178.7596 32 L 3.9095 7.7397 119.8809 58.4094 41.9304 179.1373 33 F 4.7050 7.9616 117.5897 60.4031 38.6029 178.0931 34 K 4.1194 8.5133 118.1725 59.3716 31.9948 179.3644 35 G 3.7610 8.0248 104.8538 46.5299 0.0000 173.8182 36 H 4.6774 8.1000 117.6891 52.1231 29.9941 171.9423 37 P 4.7755 0.0000 0.0000 64.4092 31.3789 177.4482 38 E 4.0803 8.1974 116.2147 59.1139 29.6203 178.8304 39 T 4.0122 8.3040 111.3219 64.0940 69.1238 176.3909 40 L 3.7221 8.0856 123.4496 57.5992 41.7350 178.4669 41 E 4.0607 7.6835 116.6839 59.2599 29.4268 178.4075 42 K 4.0018 8.1049 116.6808 57.9555 32.4605 176.8553 43 F 4.5531 8.0845 118.2552 55.5406 39.0309 176.0582 44 D 4.3660 8.6598 126.0488 57.4369 40.7860 179.6257 45 K 3.8145 7.8440 116.5648 58.9371 32.2049 177.3026 46 F 4.8858 8.2012 114.7788 56.4255 40.6492 176.4017 47 K 4.0994 8.0510 120.2206 58.6558 32.2447 177.1774 48 H 4.6162 7.6106 114.1036 55.7109 29.2477 174.9518 49 L 4.3243 7.6196 121.9860 54.7124 41.6549 176.8495 50 K 4.3831 9.7457 123.9056 56.5068 33.0442 176.3494 51 S 4.5508 7.2769 113.4543 56.2973 66.8415 174.7372 52 E 3.9665 8.6087 121.6474 59.3798 29.1544 178.2430 53 D 4.3673 8.0221 118.7282 57.2747 40.7867 178.3856 54 E 4.0022 8.1296 118.8505 59.4504 29.2323 179.1307 55 M 4.0173 7.6914 117.5769 58.5140 32.1472 178.7257 56 K 4.0400 7.9786 116.9361 59.2581 32.2238 178.8798 57 A 4.3504 7.4926 120.3870 53.2773 18.6000 177.4026 58 S 4.1194 7.4430 113.1151 58.4336 62.6786 174.4220 59 E 3.9995 8.9148 129.4729 59.5007 29.5581 178.2113 60 D 4.4967 8.1596 118.5303 56.9970 40.9622 178.3279 61 L 3.6243 8.1093 121.2495 57.7494 42.0353 178.8567 62 K 3.8559 7.7890 119.5742 59.5378 32.1775 178.8829 63 K 3.9968 8.2641 118.7689 59.8071 31.9722 178.8940 64 H 4.4005 8.5848 118.7086 59.1254 29.8408 177.4626 65 G 3.5845 8.5632 108.1249 47.6512 0.0000 174.9583 66 N 4.2707 8.0975 119.3434 56.8755 39.0069 176.7887 67 T 3.8742 7.9243 116.9035 66.7509 68.6017 176.5594 68 V 3.5786 7.6538 119.6860 66.2701 31.6576 178.1675 69 L 4.2622 8.0568 118.4003 57.7756 41.3576 179.6852 70 T 4.0283 8.3681 116.2985 66.4277 68.2519 176.6800 71 A 4.0033 8.1558 122.8199 55.0967 18.3954 179.5089 72 L 3.7863 8.1689 119.0814 57.9293 42.0961 179.3107 73 G 3.3183 8.3599 106.0157 47.6190 0.0000 175.9005 74 G 3.6157 7.6201 106.8849 47.4419 0.0000 175.7091 75 I 3.8469 7.2750 122.2055 64.2661 37.2078 178.5385 76 L 3.9624 7.6980 119.7735 57.6487 41.1338 179.5675 77 K 4.0402 7.6457 116.9860 58.3676 32.2916 178.7925 78 K 3.9260 7.8289 118.5158 56.1566 32.9175 176.4143 79 K 2.0000 7.9697 118.3304 56.3347 29.5711 175.6171 80 G 3.8944 7.5103 105.1334 45.8555 0.0000 173.2198 81 H 4.6386 7.6155 119.4961 54.9595 27.3213 174.6675 82 H 5.3320 7.2549 111.6551 54.2669 29.8008 176.3929 83 E 3.9148 8.6540 122.3361 60.3088 28.9842 178.5149 84 A 4.0522 7.9291 118.4831 55.3456 18.5628 179.0094 85 E 4.0944 8.1158 116.6157 59.2929 29.6727 179.1417 86 L 4.0578 8.5091 120.9784 58.1669 42.0658 178.8068 87 T 3.9007 8.3901 116.2201 66.5676 68.5201 174.5275 88 P 4.0768 0.0000 0.0000 65.5525 31.3032 178.4747 89 L 4.0590 7.5031 119.5014 58.0372 42.0342 178.9384 90 A 4.2044 8.1740 120.7543 55.2417 18.3724 179.5605 91 Q 3.9046 8.8195 117.5536 59.2585 28.8768 179.3832 92 S 4.0311 8.1736 115.1516 61.8098 63.0156 176.2133 93 H 4.3263 8.6022 119.6021 58.1069 28.1860 177.7127 94 A 3.1339 7.5392 122.1921 54.8701 18.4396 179.3169 95 T 3.7013 7.1897 106.5596 63.5229 69.2989 175.7233 96 K 4.0891 7.4791 120.6390 58.2918 32.9064 176.8855 97 H 4.4153 8.2127 113.5445 55.5201 29.5984 175.4697 98 K 3.6360 7.5309 117.0980 57.1548 28.8882 174.0190 99 I 4.3545 8.2528 118.5620 58.5334 38.8455 174.9199 100 P 4.5452 0.0000 0.0000 62.2298 32.1785 177.4052 101 V 3.4302 9.2452 121.0832 66.1805 31.3313 178.4499 102 K 3.6961 7.9949 117.8723 60.4927 31.9688 178.4153 103 Y 4.1408 7.7822 117.4608 60.7330 37.6960 178.4053 104 L 4.1450 8.3175 120.6146 57.4845 41.7587 179.1115 105 E 3.9607 7.8125 119.1244 59.1880 29.7088 178.6226 106 F 4.6003 7.6535 117.8990 60.8027 38.9133 177.5571 107 I 3.8339 8.2236 118.2818 63.9032 37.7452 178.0561 108 S 4.1728 8.2436 116.6695 61.5655 62.6040 176.5010 109 E 4.0539 8.2822 119.6603 59.3783 29.2957 179.0322 110 A 4.2452 8.0372 123.0909 54.2921 18.4278 179.5364 111 I 3.6319 8.0318 118.5615 64.7774 37.1864 178.7178 112 I 3.7812 7.9200 120.4228 64.4961 36.5039 178.4508 113 Q 4.0160 8.4478 119.2586 58.9839 28.4638 179.2775 114 V 3.5281 8.0704 119.4759 65.9180 31.5145 178.1324 115 L 3.7919 7.7704 118.7398 57.6285 41.0845 179.2454 116 Q 4.2054 7.8828 118.5300 59.5024 29.1132 178.3144 117 S 4.2532 8.0550 115.1393 61.3704 62.9458 176.3228 118 K 4.0772 8.1616 120.4341 57.8298 33.2403 177.0625 119 H 5.0446 8.3404 115.7407 53.6182 29.4116 172.8868 120 P 4.3623 0.0000 0.0000 66.0144 31.5783 179.3372 121 G 3.6164 8.1898 106.6390 47.7295 0.0000 173.6880 122 D 4.7481 8.0122 117.2383 54.1349 42.2426 176.3632 123 F 5.0061 7.5914 121.2666 56.7454 39.0132 174.5522 124 G 3.8479 7.4273 110.1385 43.7485 0.0000 171.0998 125 A 3.8982 8.4614 120.6229 55.4065 18.1456 179.7032 126 D 4.1700 7.9079 116.2910 57.5149 40.9887 178.6790 127 A 3.9690 7.7956 120.6782 55.1026 18.4195 179.3051 128 Q 3.3531 7.9093 117.0278 59.0032 28.7862 179.5656 129 G 3.5474 8.0302 106.2335 47.5789 0.0000 175.5099 130 A 3.8322 7.8514 123.0673 55.2339 18.4817 179.3631 131 M 4.0269 8.3719 117.0356 58.9204 32.1836 178.5673 132 S 4.1658 8.2480 115.2991 61.6451 63.0502 176.8828 133 K 3.9110 8.1962 120.9202 59.1044 31.8212 179.3382 134 A 3.8129 7.8971 121.1635 55.2285 18.2432 179.7712 135 L 4.1163 8.1117 117.5300 57.7499 41.6220 179.3032 136 E 3.9414 8.5278 119.7425 59.0514 29.5301 178.6843 137 L 3.9426 8.1009 120.5307 57.9064 42.1523 178.4683 138 F 3.9962 8.1536 120.2791 61.6318 39.2886 177.4313 139 R 3.4343 8.3102 117.6389 59.1205 29.8689 178.8777 140 N 4.2992 8.2798 116.4627 56.3617 38.6226 177.2661 141 D 4.3332 8.4620 120.7837 57.2744 40.8739 178.7313 142 M 3.7469 7.7146 119.1058 58.2590 31.8822 178.4790 143 A 3.6469 7.9489 120.9873 55.1521 18.4428 179.5918 144 A 3.9656 7.8619 119.0662 55.1098 18.5428 179.8164 145 K 3.9834 8.0223 117.9410 59.5918 32.1516 178.4990 146 Y 4.3605 8.1662 117.2543 61.4000 37.5912 178.9094 147 K 4.1555 8.0828 118.9593 59.4165 31.9773 178.8042 148 E 4.1808 7.9887 115.8942 58.1427 30.0133 178.1727 149 L 4.3167 7.7101 118.9494 55.3697 42.0556 177.0043 150 G 3.5892 7.9208 106.3472 46.1903 0.0000 172.8325 151 F 4.6808 8.0252 119.9984 54.7454 42.2293 173.0482 152 Q 4.5737 9.0130 122.2388 56.0821 29.8078 174.2802 153 G 3.7519 8.9243 113.0190 45.7630 0.0000 172.1588 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 G 8.35 3.98 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 0.00 0.00 0.00 2 L 8.13 4.37 0.00 0.83 0.87 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.40 4.55 0.00 3.95 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 4 D 8.69 4.67 0.00 2.77 2.84 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 5 G 8.08 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 6 E 8.02 3.88 0.00 2.08 1.70 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 2.21 2.27 0.00 7 W 8.10 4.39 0.00 3.55 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.31 4.10 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 9 L 7.80 4.04 0.00 1.94 1.75 0.89 0.75 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 10 V 7.89 3.67 2.41 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 1.30 0.00 0.00 0.90 0.00 0.00 11 L 8.37 4.19 0.00 1.86 1.81 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.12 4.38 0.00 3.02 2.93 0.00 0.00 7.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.95 3.80 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.20 0.00 0.00 14 W 8.78 4.18 0.00 3.61 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.81 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 16 K 7.82 4.01 0.00 1.55 1.51 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.40 7.81 17 V 6.87 2.79 0.67 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 0.08 0.00 0.00 0.17 0.00 0.00 18 E 7.53 3.81 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 19 A 7.28 4.24 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 20 D 7.75 4.60 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 21 V 7.68 3.53 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.04 4.05 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 23 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 24 H 8.20 4.19 0.00 3.12 3.23 0.00 5.82 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 25 G 8.31 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 26 Q 8.12 3.84 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 E 7.79 3.84 0.00 1.90 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 2.23 2.36 0.00 28 V 7.79 3.49 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 1.03 0.00 0.00 0.95 0.00 0.00 29 L 7.81 3.41 0.00 1.33 0.83 0.75 0.33 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 30 I 7.68 3.61 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.86 0.00 0.00 31 R 7.83 3.82 0.00 1.90 1.93 0.00 3.26 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 32 L 7.74 3.91 0.00 1.66 1.36 1.03 0.83 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 33 F 7.96 4.70 0.00 3.04 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 34 K 8.51 4.12 0.00 1.71 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 35 G 8.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.10 4.68 0.00 2.92 2.78 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.78 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 38 E 8.20 4.08 0.00 2.27 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 2.42 2.60 0.00 39 T 8.30 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 0.86 0.00 0.00 40 L 8.09 3.72 0.00 1.36 1.71 -0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 4.06 0.00 2.28 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 2.40 2.55 0.00 42 K 8.10 4.00 0.00 1.63 1.78 0.00 1.83 0.00 0.00 2.05 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.86 7.81 43 F 8.08 4.55 0.00 3.30 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 44 D 8.66 4.37 0.00 2.72 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 45 K 7.84 3.81 0.00 0.91 0.85 0.00 1.36 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.23 7.81 46 F 8.20 4.89 0.00 2.84 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 47 K 8.05 4.10 0.00 1.88 2.09 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.43 7.81 48 H 7.61 4.62 0.00 3.30 3.48 0.00 5.52 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 49 L 7.62 4.32 0.00 1.59 1.62 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.75 4.38 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.50 7.81 51 S 7.28 4.55 0.00 3.99 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 52 E 8.61 3.97 0.00 2.04 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 2.35 2.37 0.00 53 D 8.02 4.37 0.00 2.72 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 54 E 8.13 4.00 0.00 2.21 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 2.34 2.35 0.00 55 M 7.69 4.02 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 56 K 7.98 4.04 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 57 A 7.49 4.35 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 S 7.44 4.12 0.00 3.85 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 59 E 8.91 4.00 0.00 2.10 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 0.00 2.43 2.43 0.00 60 D 8.16 4.50 0.00 2.98 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 61 L 8.11 3.62 0.00 1.42 1.65 0.76 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.86 0.00 1.95 1.91 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.26 4.00 0.00 1.94 1.91 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.74 7.81 64 H 8.58 4.40 0.00 3.62 3.52 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 65 G 8.56 3.58 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 0.00 66 N 8.10 4.27 0.00 2.88 3.03 0.00 0.00 7.21 7.26 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 67 T 7.92 3.87 4.40 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 1.26 0.00 0.00 68 V 7.65 3.58 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 1.05 0.00 0.00 0.95 0.00 0.00 69 L 8.06 4.26 0.00 1.82 1.94 0.88 0.73 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 70 T 8.37 4.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.16 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 72 L 8.17 3.79 0.00 1.57 1.59 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.36 3.32 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 0.00 74 G 7.62 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 75 I 7.28 3.85 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.91 0.00 0.00 76 L 7.70 3.96 0.00 1.28 1.50 -0.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 4.04 0.00 1.67 1.81 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.71 7.81 78 K 7.83 3.93 0.00 1.60 1.74 0.00 2.08 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.68 1.71 7.81 79 K 7.97 2.00 0.00 1.15 0.74 0.00 1.39 0.00 0.00 1.29 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.44 0.64 7.81 80 G 7.51 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 81 H 7.62 4.64 0.00 3.12 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.33 0.00 3.26 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.91 0.00 2.12 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 2.40 2.48 0.00 84 A 7.93 4.05 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 85 E 8.12 4.09 0.00 2.22 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 2.39 2.43 0.00 86 L 8.51 4.06 0.00 1.99 1.78 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.39 3.90 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 1.24 0.00 0.00 88 P 0.00 4.08 0.00 2.19 2.14 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 89 L 7.50 4.06 0.00 1.86 1.85 1.00 1.04 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 90 A 8.17 4.20 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 91 Q 8.82 3.90 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 92 S 8.17 4.03 0.00 3.89 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 93 H 8.60 4.33 0.00 3.59 3.59 0.00 5.80 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 94 A 7.54 3.13 0.32 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 95 T 7.19 3.70 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 1.12 0.00 0.00 96 K 7.48 4.09 0.00 1.55 1.51 0.00 1.70 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 8.21 4.42 0.00 3.00 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.64 0.00 1.77 1.69 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.35 7.81 99 I 8.25 4.35 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 1.16 0.00 0.00 100 P 0.00 4.55 0.00 1.90 1.94 0.00 3.25 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 101 V 9.25 3.43 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 0.91 0.00 0.00 0.74 0.00 0.00 102 K 7.99 3.70 0.00 1.58 1.92 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.39 7.81 103 Y 7.78 4.14 0.00 3.27 3.16 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 0.00 104 L 8.32 4.15 0.00 1.78 1.79 0.63 0.85 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 0.00 105 E 7.81 3.96 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 106 F 7.65 4.60 0.00 3.24 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 0.00 107 I 8.22 3.83 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 1.05 0.00 0.00 108 S 8.24 4.17 0.00 4.15 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 0.00 109 E 8.28 4.05 0.00 2.31 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 0.00 2.59 2.41 0.00 110 A 8.04 4.25 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 0.00 111 I 8.03 3.63 2.05 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 1.57 0.98 1.01 0.00 0.00 112 I 7.92 3.78 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.70 1.17 0.00 0.00 113 Q 8.45 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 114 V 8.07 3.53 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 0.99 0.00 0.00 0.92 0.00 0.00 115 L 7.77 3.79 0.00 1.00 0.47 0.75 0.42 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 0.00 116 Q 7.88 4.21 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 117 S 8.05 4.25 0.00 3.80 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 0.00 118 K 8.16 4.08 0.00 1.48 1.37 0.00 1.40 0.00 0.00 1.33 0.00 0.00 2.56 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.26 1.30 7.81 119 H 8.34 5.04 0.00 3.18 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.24 2.37 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 121 G 8.19 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 0.00 122 D 8.01 4.75 0.00 2.77 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 0.00 123 F 7.59 5.01 0.00 2.92 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 0.00 124 G 7.43 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 0.00 125 A 8.46 3.90 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 0.00 126 D 7.91 4.17 0.00 2.65 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 0.00 127 A 7.80 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 0.00 128 Q 7.91 3.35 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 129 G 8.03 3.55 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 0.00 0.00 0.00 130 A 7.85 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 0.00 131 M 8.37 4.03 0.00 2.36 2.41 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.85 0.00 132 S 8.25 4.17 0.00 4.00 3.90 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 0.00 133 K 8.20 3.91 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.62 7.81 134 A 7.90 3.81 1.18 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 0.00 135 L 8.11 4.12 0.00 1.76 1.80 0.98 0.59 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 0.00 136 E 8.53 3.94 0.00 2.03 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 2.45 2.31 0.00 137 L 8.10 3.94 0.00 1.86 1.93 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.15 4.00 0.00 3.24 3.32 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 0.00 139 R 8.31 3.43 0.00 1.81 1.83 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 140 N 8.28 4.30 0.00 2.91 2.82 0.00 0.00 7.03 7.79 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 0.00 141 D 8.46 4.33 0.00 2.76 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 0.00 142 M 7.71 3.75 0.00 1.43 1.57 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.91 0.00 143 A 7.95 3.65 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 0.00 144 A 7.86 3.97 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 0.00 145 K 8.02 3.98 0.00 2.03 1.92 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 146 Y 8.17 4.36 0.00 3.22 3.04 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 0.00 147 K 8.08 4.16 0.00 2.06 1.89 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.52 7.81 148 E 7.99 4.18 0.00 2.16 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 0.00 2.40 2.38 0.00 149 L 7.71 4.32 0.00 2.17 2.27 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.92 3.59 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 0.00 0.00 0.00 151 F 8.03 4.68 0.00 2.89 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 0.00 152 Q 9.01 4.57 0.00 2.27 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 153 G 8.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00