NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1002 8.0549 120.3914 62.3863 32.4188 175.2030 2 L 3.9573 8.2843 127.6190 52.5372 42.2550 176.1120 3 S 4.5288 9.7255 119.0909 57.7891 66.2167 175.1111 4 E 4.2866 8.8194 121.7416 59.6032 29.3113 179.8181 5 G 3.6574 8.1274 105.2503 47.8399 0.0000 175.3987 6 E 3.9168 8.2011 120.9725 59.0213 29.4033 179.4822 7 W 4.4206 8.2284 119.0376 59.8806 29.0458 178.3321 8 Q 4.0938 8.5810 119.7131 59.1366 28.3459 178.3548 9 L 4.0605 7.9555 119.7483 57.7297 41.6459 179.5359 10 V 3.7945 8.0192 118.1437 66.2684 31.5853 177.9754 11 L 4.3459 8.5685 118.2700 57.2092 41.3275 178.8687 12 H 4.2453 8.3682 118.5327 59.1573 30.2345 177.3069 13 V 3.7416 7.8279 121.3027 64.5185 31.4610 178.1494 14 W 3.8123 8.6442 128.9082 60.0550 30.0715 177.7971 15 A 4.0312 8.2473 120.7590 54.9076 17.3936 179.7427 16 K 3.6438 7.6998 117.0031 59.2190 31.8948 179.7717 17 V 2.9198 6.9552 118.9389 65.6069 31.3258 177.4930 18 E 3.9060 6.9847 116.3953 57.7731 29.2519 177.7795 19 A 4.0937 7.3448 121.4969 54.5424 19.4188 177.9639 20 D 4.7205 7.9716 115.0955 52.3548 42.8102 175.6314 21 V 3.5234 7.8201 123.7420 65.9530 32.1732 176.8092 22 A 4.0574 8.0053 120.1212 55.0347 18.2264 179.7273 23 G 3.7043 8.3344 105.7023 45.4147 0.0000 175.7735 24 H 4.1586 8.2490 118.7372 58.5794 28.6783 178.1942 25 G 3.5507 8.3639 107.7909 47.6874 0.0000 175.8408 26 Q 3.8759 8.1276 120.3174 58.9204 28.7222 178.6212 27 D 4.2830 7.9413 119.8383 57.3665 40.7421 179.0273 28 I 3.6613 7.9780 120.6184 64.3362 37.0434 178.5484 29 L 3.4136 7.8222 119.8764 57.4209 41.2281 179.6476 30 I 3.5688 7.6543 119.9557 64.3065 36.9738 178.3522 31 R 3.7748 7.9593 119.5880 59.1942 29.8209 178.0630 32 L 3.9412 7.9029 120.2334 58.5116 41.7254 179.1859 33 F 4.5879 8.1381 117.8062 60.4228 38.5592 178.0501 34 K 4.0239 8.1612 117.7291 59.6492 32.0085 179.4116 35 S 4.3094 8.1353 114.4370 60.3734 63.9662 174.5228 36 H 4.6632 8.1581 118.4614 52.2102 29.6542 171.8943 37 P 4.5121 0.0000 0.0000 64.3850 31.2584 177.4443 38 E 4.0773 8.2618 116.4520 59.4324 29.2356 179.2160 39 T 4.0513 8.1275 111.5842 64.6525 68.9081 176.3974 40 L 3.5672 7.8762 123.2747 57.6452 41.7872 178.3961 41 E 4.0839 7.7461 116.7128 58.3710 29.6495 178.1757 42 K 4.4608 8.0761 117.0296 57.0472 32.6061 177.1760 43 F 4.6306 8.2748 119.2212 55.6606 39.9676 175.6599 44 D 4.3600 8.5668 125.2473 57.3156 40.4629 178.6767 45 R 3.7575 7.9032 117.9444 58.3923 30.1934 176.6804 46 F 5.0898 8.1051 114.7183 56.7462 40.6910 176.5052 47 K 4.1630 7.6902 119.2398 58.4599 32.5148 177.6802 48 H 4.3758 8.1088 114.6826 57.1410 28.9144 175.1297 49 L 4.3671 7.7106 121.8838 54.1676 41.7735 176.5941 50 K 4.5166 9.5460 122.8414 56.1554 34.2281 176.6398 51 T 4.7438 7.4654 108.5765 58.8675 73.1993 174.1747 52 E 3.9081 8.6636 121.7894 59.3431 29.7666 178.8224 53 A 3.9955 7.9722 120.4186 55.2010 18.2407 179.2619 54 E 3.9190 8.1012 116.0447 59.7948 29.9675 179.1525 55 M 4.1599 8.1121 118.6289 58.4958 31.8483 179.0991 56 K 4.0048 8.2933 117.3253 58.8183 32.2742 178.4722 57 A 4.4270 7.5857 118.8299 51.7066 19.2349 177.0198 58 S 4.3491 7.4440 113.5890 57.2943 62.8272 174.5106 59 E 4.0316 8.8348 129.1158 59.1713 29.4809 177.9619 60 D 4.4240 8.1837 117.9888 57.1530 41.2914 177.8206 61 L 3.5048 8.1055 121.0356 57.8009 42.1198 178.8142 62 K 3.8678 7.9653 119.4143 59.3883 32.0888 178.9170 63 K 4.0121 8.3534 118.9400 59.8468 31.9415 178.8724 64 H 4.4228 8.6986 118.6599 59.0198 29.7605 177.4053 65 G 3.6180 8.3828 108.0436 47.8243 0.0000 175.8185 66 V 3.6148 7.7780 120.3542 65.9310 31.5977 178.0644 67 T 3.8822 8.0365 115.5685 66.7167 68.2981 176.5606 68 V 3.5922 7.9194 119.9333 66.2574 31.5894 178.1896 69 L 4.2429 8.1800 118.5229 57.8305 41.4172 179.6970 70 T 3.9741 8.3748 116.2275 66.4687 68.4268 176.5671 71 A 3.9827 8.0042 122.6372 55.0937 18.4026 179.4427 72 L 3.7699 8.1777 119.1210 58.0950 42.1162 179.3618 73 G 3.2635 8.5100 105.8650 47.6826 0.0000 175.4978 74 A 4.0027 7.7191 122.1558 54.7795 18.6304 179.5943 75 I 3.7929 7.6093 118.2142 64.5979 37.2086 178.6509 76 L 3.9691 7.9242 120.1741 57.6834 41.1863 179.5524 77 K 4.0003 7.7892 116.6894 58.2111 32.2348 178.5760 78 K 3.9922 7.8258 118.2091 55.6322 32.7986 176.3918 79 K 2.0000 8.2834 118.3547 56.4091 29.7414 174.9399 80 G 3.9646 7.8241 105.9718 45.8634 0.0000 173.7393 81 H 4.5589 7.4097 118.6584 55.4151 27.6199 174.9907 82 H 5.2600 7.3052 110.2025 54.4655 29.7125 176.5096 83 E 3.9227 8.4333 122.8284 60.1685 29.1746 178.3820 84 A 4.0507 7.9306 119.0997 55.0830 18.4358 178.9553 85 E 4.1273 8.0921 116.7713 59.4188 29.7856 179.1974 86 L 3.9762 8.2770 119.3281 57.3099 41.6071 178.8073 87 K 3.7661 8.0559 119.9924 59.6040 31.9600 176.8680 88 P 4.4139 0.0000 0.0000 65.6306 31.2746 178.1330 89 L 3.9778 7.5496 119.8098 57.9415 41.9958 178.8070 90 A 4.1146 8.5539 121.0729 55.2592 18.3411 179.6366 91 Q 3.8025 8.2160 116.8148 59.1280 28.7434 179.2688 92 S 4.0036 8.2587 115.4264 61.7355 63.0240 176.2178 93 H 4.1457 8.6623 119.8029 58.0556 28.2126 177.7730 94 A 2.9545 7.8195 122.6875 54.7091 18.1913 179.0479 95 T 3.7062 7.1496 105.6982 62.0866 69.6860 175.4865 96 K 4.1770 7.4318 120.5384 58.2819 33.2502 176.8759 97 H 4.3466 7.9887 113.9973 56.0032 29.4108 175.2588 98 K 3.7519 7.7194 116.8677 57.4058 28.5794 176.3094 99 I 4.2474 7.8650 119.3446 58.7811 38.5479 175.0708 100 P 4.4505 0.0000 0.0000 62.1727 32.1244 177.4852 101 I 3.3807 8.4495 122.0961 64.6478 36.9140 178.5159 102 K 3.6839 7.8954 119.6355 59.6448 31.9385 178.0497 103 Y 4.0950 8.0240 116.6142 60.2496 37.7918 177.8295 104 L 4.2098 7.9627 120.3664 57.2113 41.6609 178.8864 105 E 3.9463 7.8682 119.1927 59.2400 29.6696 178.6352 106 F 4.4638 7.7271 117.7891 60.8449 38.9316 177.6023 107 I 3.9059 8.1738 117.9387 63.8606 37.7481 178.1093 108 S 4.1811 8.1977 116.5372 61.5767 62.5976 176.3423 109 E 4.0784 8.5912 121.2099 59.3360 29.1458 179.3138 110 A 4.0248 8.1573 120.9012 55.0305 18.4218 179.5952 111 I 3.6706 8.1200 118.7089 64.8294 37.2442 178.7374 112 I 3.8567 7.9607 120.4441 64.5404 36.9249 178.0462 113 H 4.1244 8.5288 119.2244 59.3362 29.6890 177.5184 114 V 3.5801 8.0191 120.1290 66.0239 31.3386 177.9936 115 L 3.7498 7.9482 118.8016 57.7316 41.0295 179.0009 116 H 4.4191 7.9293 117.5252 59.4329 29.9471 177.2403 117 S 4.1851 7.8945 115.7652 61.5707 62.7789 176.4234 118 R 4.0968 7.8510 118.8531 57.3455 31.2890 176.3955 119 H 5.0398 8.1235 115.9538 54.0731 29.8282 173.0711 120 P 4.3128 0.0000 0.0000 65.7312 31.8413 179.3128 121 G 3.6949 8.1487 106.5966 47.5471 0.0000 173.6337 122 D 5.0325 8.0388 118.2058 53.9945 41.2813 176.4658 123 F 4.9757 8.0149 121.1876 56.3519 39.7236 174.9243 124 G 3.8697 7.9770 107.4588 44.0277 0.0000 172.9541 125 A 3.9611 8.3918 120.8805 54.8597 18.2739 179.4796 126 D 4.1930 7.9854 117.1049 56.8037 39.3762 178.7276 127 A 3.9846 7.7578 121.9944 54.5273 18.3643 179.4379 128 Q 3.1986 7.9636 117.2832 58.6974 28.6757 179.2383 129 G 3.4714 8.2889 106.9763 47.6135 0.0000 175.7184 130 A 3.8793 7.9949 123.2282 55.0893 18.3083 179.4655 131 M 4.0060 8.4429 117.1765 58.5808 32.2372 177.8666 132 N 4.3031 8.5033 117.7287 56.7471 39.0306 177.0298 133 K 3.9055 8.0803 119.5849 59.2299 32.0759 179.2531 134 A 3.8211 8.1210 121.4164 55.1767 18.2794 179.7564 135 L 4.0825 8.2890 117.7548 57.7123 41.6213 179.5361 136 E 3.9898 8.5762 119.2049 59.2423 29.3497 179.0155 137 L 3.9848 8.2228 120.5908 58.0278 42.1141 178.5796 138 F 4.1154 8.3509 120.5569 61.7118 39.3456 177.4359 139 R 3.6109 8.3267 117.5161 58.8345 29.8005 178.9644 140 K 3.8657 8.4282 119.9610 59.7213 32.0900 178.6507 141 D 4.3799 8.2601 119.1426 57.0999 40.6630 178.8661 142 I 3.5252 7.6326 120.3637 64.2086 36.9478 178.2663 143 A 3.6973 8.2754 121.7151 54.9972 18.1327 179.5690 144 A 3.9610 7.9548 119.3663 55.2254 18.5015 180.0722 145 K 4.0382 7.9251 117.2849 59.6026 32.0633 179.1747 146 Y 4.0828 8.5025 117.4471 61.0301 37.8216 178.6445 147 K 3.9914 8.5633 120.8746 59.3557 32.0692 178.1033 148 E 3.9293 8.0038 118.6119 59.4915 29.6594 178.3778 149 L 4.4448 7.6628 114.9628 55.0164 41.9652 177.6142 150 G 3.8129 8.1172 107.4316 45.8081 0.0000 173.5682 151 Y 4.5279 8.2011 114.2454 57.3631 38.6202 176.7858 152 Q 4.1284 8.2995 122.8749 56.8726 29.6046 176.0505 153 G 4.1497 8.1293 110.6882 45.8782 0.0000 173.1201 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 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.28 3.96 0.00 0.67 0.62 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.73 4.53 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 4 E 8.82 4.29 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 5 G 8.13 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 6 E 8.20 3.92 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 7 W 8.23 4.42 0.00 3.55 3.15 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 0.00 8 Q 8.58 4.09 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.96 4.06 0.00 1.99 1.75 0.94 0.60 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 10 V 8.02 3.79 2.51 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 1.22 0.00 0.00 0.87 0.00 0.00 11 L 8.57 4.35 0.00 1.86 1.82 0.94 1.12 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 12 H 8.37 4.25 0.00 3.31 3.58 0.00 5.95 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 13 V 7.83 3.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.82 0.00 0.00 14 W 8.64 3.81 0.00 3.69 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 15 A 8.25 4.03 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 16 K 7.70 3.64 0.00 1.39 1.52 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 V 6.96 2.92 0.77 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 -0.05 0.00 0.00 0.08 0.00 0.00 18 E 6.98 3.91 0.00 1.71 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 2.23 2.03 0.00 19 A 7.34 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.97 4.72 0.00 2.63 2.52 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 21 V 7.82 3.52 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 1.07 0.00 0.00 0.90 0.00 0.00 22 A 8.01 4.06 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 8.33 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 0.00 0.00 0.00 0.00 24 H 8.25 4.16 0.00 3.28 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 8.36 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 26 Q 8.13 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.94 4.28 0.00 2.61 2.64 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 28 I 7.98 3.66 1.87 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 1.51 0.69 0.88 0.00 0.00 29 L 7.82 3.41 0.00 1.27 0.75 0.76 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.57 1.83 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 1.35 0.58 0.87 0.00 0.00 31 R 7.96 3.77 0.00 1.86 1.99 0.00 2.92 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 32 L 7.90 3.94 0.00 1.77 1.51 1.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.14 4.59 0.00 3.12 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 34 K 8.16 4.02 0.00 1.69 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.14 4.31 0.00 3.75 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 36 H 8.16 4.66 0.00 3.05 2.81 0.00 5.62 0.00 0.00 0.00 0.00 6.83 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 4.51 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.26 4.08 0.00 2.29 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 0.00 1.97 2.39 0.00 39 T 8.13 4.05 4.55 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 0.99 0.00 0.00 40 L 7.88 3.57 0.00 1.18 1.73 -0.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.08 0.00 2.07 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 0.00 2.38 2.45 0.00 42 K 8.08 4.46 0.00 2.00 1.73 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.95 7.81 43 F 8.27 4.63 0.00 3.21 2.91 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 44 D 8.57 4.36 0.00 2.65 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 45 R 7.90 3.76 0.00 1.50 1.16 0.00 2.98 0.00 0.00 2.87 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 46 F 8.11 5.09 0.00 2.89 2.66 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 47 K 7.69 4.16 0.00 2.00 2.23 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.40 7.81 48 H 8.11 4.38 0.00 3.31 3.49 0.00 5.52 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 49 L 7.71 4.37 0.00 1.61 1.58 0.86 0.76 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 50 K 9.55 4.52 0.00 1.73 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.47 4.74 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 52 E 8.66 3.91 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 2.35 0.00 53 A 7.97 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 54 E 8.10 3.92 0.00 2.10 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 2.36 2.35 0.00 55 M 8.11 4.16 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 56 K 8.29 4.00 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.59 4.43 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 58 S 7.44 4.35 0.00 3.94 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 59 E 8.83 4.03 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.42 0.00 2.91 2.95 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 0.00 0.00 0.00 61 L 8.11 3.50 0.00 1.36 1.61 -0.20 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.97 3.87 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.35 4.01 0.00 2.12 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.62 7.81 64 H 8.70 4.42 0.00 3.63 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 8.38 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 66 V 7.78 3.61 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 8.04 3.88 4.38 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 1.27 0.00 0.00 68 V 7.92 3.59 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 1.09 0.00 0.00 0.99 0.00 0.00 69 L 8.18 4.24 0.00 1.81 1.90 0.87 0.79 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 70 T 8.37 3.97 4.45 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 1.26 0.00 0.00 71 A 8.00 3.98 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 72 L 8.18 3.77 0.00 1.59 1.58 0.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 3.26 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 0.00 74 A 7.72 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 75 I 7.61 3.79 1.93 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 1.56 0.67 0.98 0.00 0.00 76 L 7.92 3.97 0.00 1.17 1.56 -0.15 0.82 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 77 K 7.79 4.00 0.00 1.72 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.83 3.99 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.76 7.81 79 K 8.28 2.00 0.00 1.21 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 7.82 3.96 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 0.00 0.00 0.00 81 H 7.41 4.56 0.00 3.16 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.31 5.26 0.00 3.27 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.43 3.92 0.00 2.13 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 2.39 2.46 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 8.09 4.13 0.00 2.25 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 2.46 0.00 86 L 8.28 3.98 0.00 1.80 1.66 0.90 0.75 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 87 K 8.06 3.77 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.66 7.81 88 P 0.00 4.41 0.00 2.32 2.30 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 89 L 7.55 3.98 0.00 1.70 1.87 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.55 4.11 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 91 Q 8.22 3.80 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 92 S 8.26 4.00 0.00 3.87 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 93 H 8.66 4.15 0.00 3.49 3.56 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 94 A 7.82 2.95 -0.11 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 0.00 0.00 0.00 0.00 0.00 95 T 7.15 3.71 4.11 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 0.00 0.00 0.78 0.00 0.00 96 K 7.43 4.18 0.00 1.55 1.65 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 7.99 4.35 0.00 3.01 3.13 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.72 3.75 0.00 1.88 1.88 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.38 7.81 99 I 7.86 4.25 2.03 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 1.33 0.95 1.08 0.00 0.00 100 P 0.00 4.45 0.00 1.69 1.77 0.00 2.37 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.79 0.00 101 I 8.45 3.38 1.72 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.72 0.00 0.00 102 K 7.90 3.68 0.00 1.74 1.69 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 0.64 7.81 103 Y 8.02 4.10 0.00 3.07 3.05 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 0.00 104 L 7.96 4.21 0.00 1.83 1.81 0.65 0.66 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 0.00 105 E 7.87 3.95 0.00 1.95 1.91 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 2.44 2.43 0.00 106 F 7.73 4.46 0.00 3.23 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 0.00 107 I 8.17 3.91 2.02 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 1.57 1.67 1.09 0.00 0.00 108 S 8.20 4.18 0.00 4.17 3.96 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 0.00 109 E 8.59 4.08 0.00 2.29 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 2.66 2.61 0.00 110 A 8.16 4.02 1.38 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 0.00 0.00 111 I 8.12 3.67 2.09 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 1.60 0.75 1.06 0.00 0.00 112 I 7.96 3.86 2.14 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 1.70 0.77 1.19 0.00 0.00 113 H 8.53 4.12 0.00 3.33 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.02 3.58 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 7.95 3.75 0.00 0.96 0.46 0.78 0.60 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 0.00 116 H 7.93 4.42 0.00 3.57 3.58 0.00 5.95 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 0.00 117 S 7.89 4.19 0.00 3.97 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 0.00 118 R 7.85 4.10 0.00 1.46 1.48 0.00 2.71 0.00 0.00 2.63 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 119 H 8.12 5.04 0.00 3.18 3.17 0.00 5.62 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 4.31 0.00 2.19 2.21 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.15 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 0.00 122 D 8.04 5.03 0.00 2.77 2.81 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 0.00 123 F 8.01 4.98 0.00 3.02 3.03 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 0.00 0.00 0.00 124 G 7.98 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 0.00 0.00 0.00 125 A 8.39 3.96 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 7.99 4.19 0.00 2.87 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 0.00 127 A 7.76 3.98 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 0.00 128 Q 7.96 3.20 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 129 G 8.29 3.47 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 0.00 130 A 7.99 3.88 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 0.00 131 M 8.44 4.01 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 132 N 8.50 4.30 0.00 2.86 2.95 0.00 0.00 7.18 7.21 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 0.00 133 K 8.08 3.91 0.00 1.85 1.66 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.12 3.82 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 0.00 135 L 8.29 4.08 0.00 1.73 1.77 0.97 0.99 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 0.00 136 E 8.58 3.99 0.00 2.22 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 2.35 2.53 0.00 137 L 8.22 3.98 0.00 1.86 1.97 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.12 0.00 3.05 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 0.00 139 R 8.33 3.61 0.00 2.04 1.87 0.00 3.15 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 140 K 8.43 3.87 0.00 1.80 2.00 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.26 4.38 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 I 7.63 3.53 1.46 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.16 0.41 0.00 0.00 143 A 8.28 3.70 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 0.00 144 A 7.95 3.96 1.38 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 0.00 0.00 145 K 7.93 4.04 0.00 1.97 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 146 Y 8.50 4.08 0.00 3.08 3.03 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 0.00 0.00 0.00 147 K 8.56 3.99 0.00 1.92 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.00 3.93 0.00 2.04 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 0.00 2.35 2.39 0.00 149 L 7.66 4.44 0.00 1.99 1.94 0.81 1.00 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 0.00 150 G 8.12 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.20 4.53 0.00 2.66 2.81 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 0.00 152 Q 8.30 4.13 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.13 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 0.00 0.00 0.00 0.00