NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4555 8.3044 118.1955 55.0823 32.5619 174.2814 1 V 4.2561 7.9784 119.0654 60.6797 34.3682 173.6640 2 L 4.3879 8.3251 127.2782 53.8870 43.8027 176.7441 3 S 4.5801 8.7095 117.1124 57.6143 65.5046 175.0452 4 E 4.2973 8.8959 123.1451 59.6500 29.2091 179.3093 5 G 3.6444 8.1300 105.2635 47.8240 0.0000 175.4180 6 E 3.9232 7.9355 120.3577 58.9810 29.4952 179.3875 7 W 4.3510 8.0843 119.0100 59.8543 29.0783 178.5578 8 Q 4.1594 8.5609 118.2703 59.0600 28.0378 178.8991 9 L 4.0852 7.8430 119.8001 57.6410 41.6439 179.8234 10 V 3.7388 7.9257 118.2052 66.2449 31.6277 178.2634 11 L 4.2822 8.7007 118.8716 57.6638 41.1016 179.0763 12 H 4.2375 8.5558 119.0584 59.2183 29.9780 177.6844 13 V 3.8054 7.8344 121.1577 64.3410 31.3646 178.1653 14 W 3.9552 8.5627 128.8855 60.1010 30.2577 177.7674 15 A 3.9755 7.8742 120.2319 54.9635 18.1187 179.4600 16 K 3.9547 7.3082 117.3763 59.3310 32.1323 179.6568 17 V 2.8746 7.0388 118.2527 65.7525 31.0646 177.7096 18 E 3.8812 7.5533 116.0514 58.1669 29.2854 178.5499 19 A 4.1895 7.4193 120.2939 53.7444 19.8829 177.5943 20 D 4.6584 7.8612 116.7017 51.9985 42.4845 175.5010 21 V 3.4443 7.8780 123.1515 65.6884 32.0830 176.7834 22 A 4.0490 7.9751 120.1474 55.1220 18.3101 179.7260 23 G 3.6811 8.1906 105.6294 47.7290 0.0000 175.7848 24 H 4.2477 8.3247 118.8205 58.3610 28.6979 178.1179 25 G 3.5875 8.2901 107.8657 47.6548 0.0000 175.5700 26 Q 3.8045 7.9602 121.8918 59.0518 29.1772 177.8279 27 D 4.3176 7.8512 119.8131 57.5188 40.7903 179.1331 28 I 3.6428 7.7063 119.8916 64.4580 37.1022 178.5833 29 L 3.4401 7.6057 119.7052 57.5425 41.2482 179.7409 30 I 3.6107 7.5764 119.7864 64.1699 36.9426 178.3744 31 R 3.7660 7.8587 119.5631 59.2350 29.8019 178.2477 32 L 3.8945 7.8229 120.1406 58.3914 41.9090 179.1129 33 F 4.5747 7.9053 117.5675 60.1962 38.5248 177.9389 34 K 4.1206 8.0944 117.9183 59.4197 32.1273 179.2376 35 S 4.3080 8.0891 114.5514 60.4501 63.9986 174.4471 36 H 4.7041 8.3360 118.9331 51.8642 29.8032 171.6438 37 P 4.5315 0.0000 0.0000 64.6108 31.3590 177.5005 38 E 4.1030 8.2456 116.2301 59.5764 29.4226 179.1788 39 T 3.8235 8.0210 110.7659 64.4610 68.7581 176.2737 40 L 3.6711 7.8557 122.8290 57.8311 41.7826 178.6671 41 E 4.1099 7.9470 117.2000 58.8011 29.4188 178.8014 42 K 4.4117 8.0415 117.3920 57.0695 32.9007 177.6211 43 F 4.5839 8.0713 119.1582 55.4274 38.8341 175.6893 44 D 4.3605 8.4398 123.9766 56.9282 41.0951 178.4963 45 R 3.8448 7.8285 118.3406 58.2709 30.3225 176.6371 46 F 5.1131 8.0049 113.7458 56.5313 40.5408 176.7162 47 K 3.8775 8.4532 120.8442 59.8232 31.9286 177.8193 48 H 4.3026 8.2941 112.7959 57.8501 28.7136 175.6337 49 L 4.0485 7.5631 120.8871 55.0487 41.4772 176.8805 50 K 4.2862 9.2565 124.3748 57.5582 33.1835 177.2263 51 T 4.7434 7.3121 107.5656 58.8631 73.2200 174.2390 52 E 3.9212 8.6535 121.0228 59.2681 29.6604 178.6579 53 A 3.9597 7.9098 120.5013 55.2022 18.2948 179.3117 54 E 3.9473 7.8728 115.7400 59.6128 29.8452 179.2126 55 M 4.1391 7.9924 118.7617 58.4710 31.8683 178.9927 56 K 4.0561 8.0778 117.1040 59.2014 32.2650 178.6818 57 A 4.3451 7.5484 118.8246 52.4055 18.8006 177.3413 58 S 4.1895 7.4690 113.6749 57.8823 62.7974 174.5222 59 E 4.0210 8.8371 129.0661 59.0777 29.5969 177.9797 60 D 4.4324 8.0937 118.0124 57.2004 41.4275 177.8068 61 L 3.3528 7.9382 120.9661 57.7589 41.9976 178.8477 62 K 3.9234 7.8207 119.5608 59.3571 32.0936 178.9937 63 K 4.0328 8.1506 118.9545 59.7377 31.8958 178.8595 64 H 4.4493 8.4241 118.3232 59.1019 29.7316 177.5465 65 G 3.5505 8.1978 107.8014 47.6804 0.0000 175.8830 66 V 3.6025 7.6749 120.1357 66.0504 31.5489 178.2555 67 T 3.8885 7.8361 115.5239 66.5689 68.3225 176.7520 68 V 3.5911 7.9759 120.2460 66.2078 31.5914 178.1942 69 L 4.2694 8.2062 118.7735 58.0163 41.4142 179.7055 70 T 4.0035 8.3008 115.8407 66.5337 68.2610 176.6676 71 A 4.0183 8.0875 122.8265 55.0121 18.3191 179.5081 72 L 3.7449 8.1612 119.0762 58.0418 42.1711 179.3497 73 G 3.3567 8.5857 105.9566 47.7465 0.0000 175.5245 74 A 4.0347 7.7563 122.1461 54.7369 18.6137 179.6686 75 I 3.7955 7.3860 118.4945 64.5944 37.2847 178.5629 76 L 3.9742 7.8024 120.0491 57.7409 41.1952 179.5885 77 K 4.0267 7.7139 116.5841 58.2731 32.2535 178.6776 78 K 3.9709 7.8234 118.4513 55.9592 32.6388 176.5519 79 K 2.0000 8.2210 118.2150 56.4508 29.8116 175.4488 80 G 3.9547 7.9070 105.8928 45.7492 0.0000 174.0424 81 H 4.5743 7.2407 119.1037 55.1090 27.4573 174.7858 82 H 5.3735 7.5368 111.7636 54.2802 29.3294 176.2980 83 E 3.9745 8.6157 120.7274 60.4561 28.6807 179.1032 84 A 4.0580 7.9219 119.9234 54.6260 18.8252 178.9772 85 E 4.1317 8.1665 116.5050 59.1428 29.6357 179.1888 86 L 4.1444 8.1471 119.3461 57.2792 41.6237 178.9956 87 K 3.8822 7.7722 117.9407 59.3750 32.0663 177.4525 88 P 4.2864 0.0000 0.0000 65.7245 31.2470 178.4660 89 L 4.0600 7.9480 118.2376 57.6812 41.7053 179.0193 90 A 4.2043 8.4715 121.1834 55.1687 18.2634 179.4722 91 Q 3.8954 8.3811 118.4382 59.4166 29.1172 178.6956 92 S 3.9923 8.2653 115.3797 61.7857 63.0987 176.0637 93 H 4.1604 8.6525 119.3548 57.7417 28.2280 177.5513 94 A 2.7646 7.6935 122.0202 54.4582 18.7381 179.0416 95 T 3.9082 7.4892 112.4169 65.0573 69.0762 176.3002 96 K 4.0502 7.4222 120.1033 58.9155 32.8015 177.3335 97 H 4.2668 7.8982 114.6939 56.2680 29.3699 175.5784 98 K 3.2338 7.4555 117.2654 56.9606 28.5964 174.3283 99 I 4.3541 8.1826 118.8359 58.5487 38.7573 174.8412 100 P 4.5981 0.0000 0.0000 62.2221 32.2137 177.2748 101 I 3.6472 8.4521 120.8962 64.6442 36.8936 178.2561 102 K 3.5995 7.9871 119.7618 59.9905 31.8702 178.2341 103 Y 4.2095 7.9056 116.5504 60.8930 37.7460 178.3736 104 L 4.2489 7.9917 120.1632 57.4921 41.6813 179.3161 105 E 4.0243 7.9095 118.4523 59.3571 29.5191 179.0053 106 F 4.5484 7.9111 117.8762 60.8270 38.9043 177.6151 107 I 3.8969 8.1013 118.1560 63.8737 37.7651 178.1405 108 S 4.1807 8.1992 116.4063 61.5145 62.7028 176.1411 109 E 4.0187 8.4520 121.7898 59.2869 29.4051 178.7222 110 A 4.0440 8.0342 120.7998 55.1528 18.4481 179.6763 111 I 3.6893 8.0941 118.4837 64.6790 37.2158 178.7398 112 I 3.8780 7.9284 120.6227 64.5710 36.9405 177.9714 113 H 4.1415 8.4016 119.0694 59.3512 29.6717 177.5249 114 V 3.5776 7.8629 119.9966 66.0247 31.2769 178.0185 115 L 3.7905 7.8541 118.7607 57.7691 41.0392 178.9274 116 H 4.3728 8.0000 117.4822 59.4497 29.9018 177.3066 117 S 4.1877 7.8397 115.8849 61.5519 62.8140 176.4041 118 R 4.0907 7.9091 119.0792 57.4097 31.3470 176.4301 119 H 5.0139 8.2469 115.6725 53.5926 29.5089 172.6862 120 P 4.3019 0.0000 0.0000 65.9174 31.5949 179.3982 121 G 3.6399 8.1275 106.3480 47.3911 0.0000 173.6598 122 N 5.0062 8.2311 115.2549 52.9876 39.5916 174.7380 123 F 4.9794 7.8306 119.3557 56.4070 39.5695 174.2253 124 G 3.9068 7.6303 109.1760 43.8659 0.0000 171.8270 125 A 3.8805 8.4160 120.6646 55.4131 18.3433 179.6509 126 D 4.2027 7.9802 116.5139 57.4970 40.9868 178.7906 127 A 3.9426 7.7586 120.7464 55.1056 18.3419 179.3264 128 Q 3.1514 7.7813 118.3559 58.8354 29.0150 178.6264 129 G 3.4729 8.0866 106.7086 47.6183 0.0000 175.6224 130 A 3.8841 7.8471 123.0472 54.9967 18.3483 179.4530 131 M 4.0070 8.1389 116.8413 58.6954 32.2859 177.9346 132 N 4.3169 8.4475 117.5399 56.6984 39.0756 176.9513 133 K 3.8630 8.1310 119.6293 59.3741 32.0857 179.2117 134 A 3.8140 7.8782 121.0176 55.1244 18.2216 179.7474 135 L 4.1076 8.1646 117.5862 57.7814 41.6116 179.5478 136 E 3.9743 8.5024 118.9984 59.1466 29.3761 179.0353 137 L 3.9385 8.1510 120.5267 58.0675 42.1678 178.6128 138 F 4.1655 8.2654 120.5209 61.6563 39.2376 177.3314 139 R 3.5612 8.2617 117.6086 58.8801 29.7979 179.0111 140 K 3.8294 8.2048 119.6045 59.6821 32.2221 178.7034 141 D 4.3266 8.1379 119.1622 57.2995 40.6115 178.8571 142 I 3.4098 7.5422 120.2592 64.0369 36.9533 178.3242 143 A 3.6349 7.9314 121.6943 54.9494 18.1045 179.5444 144 A 3.9474 7.9055 119.3284 55.2101 18.4357 180.0899 145 K 3.9957 7.9359 117.0916 59.6660 32.0436 179.0397 146 Y 4.4223 8.3609 117.4804 61.1761 37.8781 178.7441 147 K 3.9411 8.1632 120.3105 59.7590 32.0996 178.6964 148 E 4.0532 7.8694 117.1915 59.1731 29.4673 178.6597 149 L 4.3315 7.8873 116.8835 55.2230 41.8980 177.6228 150 G 3.9190 7.9733 106.7380 46.0331 0.0000 172.9885 151 Y 4.2648 7.9928 117.8723 59.5719 40.4680 177.6318 152 Q 3.1100 7.9598 117.2173 57.1658 26.4272 174.5831 153 G 3.4080 7.6679 114.5726 45.4867 0.0000 170.7858 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.98 4.26 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 0.90 0.00 0.00 0.96 0.00 0.00 2 L 8.33 4.39 0.00 1.01 0.75 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.71 4.58 0.00 4.05 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 4 E 8.90 4.30 0.00 2.20 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 2.44 2.53 0.00 5 G 8.13 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 7.94 3.92 0.00 1.92 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 2.20 2.25 0.00 7 W 8.08 4.35 0.00 3.59 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 8 Q 8.56 4.16 0.00 2.47 2.21 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 2.44 2.51 0.00 9 L 7.84 4.09 0.00 1.84 1.75 0.89 1.28 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 7.93 3.74 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 1.17 0.00 0.00 0.92 0.00 0.00 11 L 8.70 4.28 0.00 1.81 1.82 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.56 4.24 0.00 3.41 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.88 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 3.81 2.43 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 1.03 0.00 0.00 0.84 0.00 0.00 14 W 8.56 3.96 0.00 3.65 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 15 A 7.87 3.98 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 16 K 7.31 3.95 0.00 1.62 1.70 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 17 V 7.04 2.87 0.90 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 -0.06 0.00 0.00 0.42 0.00 0.00 18 E 7.55 3.88 0.00 1.97 1.90 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 2.19 2.02 0.00 19 A 7.42 4.19 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 20 D 7.86 4.66 0.00 2.66 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 7.88 3.44 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 1.04 0.00 0.00 0.83 0.00 0.00 22 A 7.98 4.05 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 23 G 8.19 3.68 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 0.00 24 H 8.32 4.25 0.00 3.10 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 8.29 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 26 Q 7.96 3.80 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 D 7.85 4.32 0.00 2.83 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 7.71 3.64 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.89 0.00 0.00 29 L 7.61 3.44 0.00 1.41 1.07 0.80 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 30 I 7.58 3.61 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.87 0.00 0.00 31 R 7.86 3.77 0.00 1.92 2.12 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.82 3.89 0.00 1.73 1.40 1.06 1.16 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 33 F 7.91 4.57 0.00 3.04 2.92 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 34 K 8.09 4.12 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.67 7.81 35 S 8.09 4.31 0.00 3.78 3.60 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 36 H 8.34 4.70 0.00 2.91 2.93 0.00 5.64 0.00 0.00 0.00 0.00 6.81 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 4.53 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 38 E 8.25 4.10 0.00 2.31 2.30 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 2.30 2.51 0.00 39 T 8.02 3.82 4.47 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 0.84 0.00 0.00 40 L 7.86 3.67 0.00 1.41 1.77 0.14 0.57 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 41 E 7.95 4.11 0.00 2.22 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 2.39 2.55 0.00 42 K 8.04 4.41 0.00 1.91 1.69 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.76 1.95 7.81 43 F 8.07 4.58 0.00 3.17 2.86 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 44 D 8.44 4.36 0.00 2.59 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 R 7.83 3.84 0.00 1.44 1.06 0.00 3.00 0.00 0.00 2.83 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.39 0.00 46 F 8.00 5.11 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.88 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.66 7.81 48 H 8.29 4.30 0.00 3.29 3.44 0.00 5.53 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 49 L 7.56 4.05 0.00 1.61 1.59 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.26 4.29 0.00 1.70 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 51 T 7.31 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 1.20 0.00 0.00 52 E 8.65 3.92 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 2.36 0.00 53 A 7.91 3.96 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 7.87 3.95 0.00 2.11 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 2.34 0.00 55 M 7.99 4.14 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 56 K 8.08 4.06 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.55 4.35 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 58 S 7.47 4.19 0.00 3.88 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 59 E 8.84 4.02 0.00 2.14 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 2.39 2.44 0.00 60 D 8.09 4.43 0.00 2.93 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 7.94 3.35 0.00 1.17 1.54 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.92 0.00 1.77 1.92 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.15 4.03 0.00 2.10 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.82 7.81 64 H 8.42 4.45 0.00 3.60 3.59 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 8.20 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 66 V 7.67 3.60 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.84 3.89 4.43 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 1.29 0.00 0.00 68 V 7.98 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 1.10 0.00 0.00 0.97 0.00 0.00 69 L 8.21 4.27 0.00 1.78 1.85 0.92 0.93 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 70 T 8.30 4.00 4.29 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 1.26 0.00 0.00 71 A 8.09 4.02 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 8.16 3.74 0.00 1.71 1.76 0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.59 3.36 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 0.00 74 A 7.76 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 75 I 7.39 3.80 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.92 0.00 0.00 76 L 7.80 3.97 0.00 1.32 1.52 -0.14 1.03 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 7.71 4.03 0.00 1.66 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.82 3.97 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.64 1.59 7.81 79 K 8.22 2.00 0.00 1.24 0.74 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.38 0.81 7.81 80 G 7.91 3.95 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 0.00 0.00 0.00 81 H 7.24 4.57 0.00 3.16 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.54 5.37 0.00 3.32 3.47 0.00 5.68 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 83 E 8.62 3.97 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 84 A 7.92 4.06 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 85 E 8.17 4.13 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 86 L 8.15 4.14 0.00 1.95 1.71 0.96 0.55 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 87 K 7.77 3.88 0.00 1.85 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 88 P 0.00 4.29 0.00 2.30 2.34 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 89 L 7.95 4.06 0.00 1.97 1.82 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.20 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 91 Q 8.38 3.90 0.00 2.14 2.12 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 2.32 2.33 0.00 92 S 8.27 3.99 0.00 4.00 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 0.00 93 H 8.65 4.16 0.00 3.57 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 7.69 2.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.49 3.91 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 1.11 0.00 0.00 96 K 7.42 4.05 0.00 1.52 1.69 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.31 7.81 97 H 7.90 4.27 0.00 3.01 3.15 0.00 5.86 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 7.46 3.23 0.00 1.75 1.75 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.27 7.81 99 I 8.18 4.35 2.10 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 1.40 0.99 1.15 0.00 0.00 100 P 0.00 4.60 0.00 1.96 2.02 0.00 3.28 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.27 0.00 101 I 8.45 3.65 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.82 0.00 0.00 102 K 7.99 3.60 0.00 1.72 1.66 0.00 1.05 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 0.90 7.81 103 Y 7.91 4.21 0.00 3.21 3.09 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 0.00 104 L 7.99 4.25 0.00 1.86 1.80 0.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 4.02 0.00 2.04 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 2.38 2.52 0.00 106 F 7.91 4.55 0.00 3.24 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 0.00 107 I 8.10 3.90 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.14 0.00 0.00 108 S 8.20 4.18 0.00 4.22 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 0.00 109 E 8.45 4.02 0.00 2.21 2.37 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 2.41 2.45 0.00 110 A 8.03 4.04 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 0.00 111 I 8.09 3.69 2.12 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 1.60 1.12 1.03 0.00 0.00 112 I 7.93 3.88 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.91 1.15 0.00 0.00 113 H 8.40 4.14 0.00 3.30 3.48 0.00 5.78 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 7.86 3.58 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 0.99 0.00 0.00 1.00 0.00 0.00 115 L 7.85 3.79 0.00 0.49 0.63 0.73 0.61 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 0.00 116 H 8.00 4.37 0.00 3.48 3.61 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 7.84 4.19 0.00 3.92 3.83 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 0.00 0.00 0.00 118 R 7.91 4.09 0.00 1.59 1.61 0.00 3.11 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.25 5.01 0.00 3.17 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.20 2.27 0.00 3.74 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 2.07 1.95 0.00 121 G 8.13 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 0.00 122 N 8.23 5.01 0.00 2.81 2.95 0.00 0.00 6.66 7.36 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 0.00 123 F 7.83 4.98 0.00 2.92 3.01 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 0.00 124 G 7.63 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 0.00 125 A 8.42 3.88 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 0.00 126 D 7.98 4.20 0.00 2.68 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 7.76 3.94 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 7.78 3.15 0.00 1.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 129 G 8.09 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 7.85 3.88 1.28 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 0.00 0.00 0.00 0.00 0.00 131 M 8.14 4.01 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.45 4.32 0.00 2.93 2.93 0.00 0.00 7.24 7.98 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 0.00 133 K 8.13 3.86 0.00 1.86 1.65 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 7.88 3.81 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 0.00 135 L 8.16 4.11 0.00 1.76 1.81 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.50 3.97 0.00 2.16 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 0.00 2.34 2.56 0.00 137 L 8.15 3.94 0.00 1.85 2.01 1.10 1.06 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 0.00 138 F 8.27 4.17 0.00 3.03 3.24 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 0.00 139 R 8.26 3.56 0.00 1.98 1.86 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 140 K 8.20 3.83 0.00 1.86 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.14 4.33 0.00 2.65 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 0.00 142 I 7.54 3.41 1.34 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.17 0.12 0.00 0.00 143 A 7.93 3.63 1.28 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 0.00 0.00 0.00 0.00 0.00 144 A 7.91 3.95 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 7.94 4.00 0.00 1.93 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.45 1.62 7.81 146 Y 8.36 4.42 0.00 3.25 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 0.00 147 K 8.16 3.94 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.87 4.05 0.00 2.13 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 2.36 2.56 0.00 149 L 7.89 4.33 0.00 1.82 1.71 0.97 0.78 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 0.00 150 G 7.97 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 0.00 151 Y 7.99 4.26 0.00 2.62 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 0.00 152 Q 7.96 3.11 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 153 G 7.67 3.41 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 0.00