NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5260 8.3149 120.0851 56.2036 33.8571 174.4988 4 K 4.4240 8.6989 123.5504 54.1745 34.6685 173.8595 5 I 4.6195 8.2644 126.6259 60.8395 38.3624 174.9078 6 I 4.8143 9.0353 120.2974 59.3161 41.7704 174.7139 7 T 4.9763 8.9636 118.4391 62.0730 71.5804 173.1008 8 V 4.5661 8.7956 127.4136 61.0279 34.5307 174.6036 9 N 5.0498 8.9671 125.7054 52.5379 39.4312 174.0982 10 V 4.5898 8.7492 125.6761 61.0663 33.3589 175.5812 11 N 4.4467 9.9534 128.1643 54.4628 36.3548 175.8499 12 G 3.9561 8.5639 105.4675 44.9253 0.0000 173.4863 13 K 4.6653 7.6309 120.9408 54.1288 34.7775 175.0596 14 A 4.5181 8.6590 129.2337 52.1255 19.4064 176.7927 15 Q 4.3986 9.3030 121.2497 54.1406 32.0618 174.2564 16 E 4.9720 8.8289 126.2556 54.8829 30.5182 175.1814 17 K 4.8733 9.1337 125.6254 54.6549 37.2685 175.1805 18 A 5.0850 8.6349 123.8497 50.8013 20.1747 176.8986 19 V 4.5957 8.6477 115.7236 59.6009 36.0582 175.1973 20 E 4.5000 8.6168 122.4749 54.9959 30.5000 175.8689 21 P 4.1929 0.0000 0.0000 65.8534 31.4236 177.7471 22 R 4.0575 7.8348 111.4539 57.6041 29.9129 176.4847 23 T 4.0164 8.0818 117.7375 63.3046 68.6793 173.9034 24 L 4.4566 8.5079 127.4229 54.3575 43.5274 177.7444 25 L 4.0265 8.9211 125.1925 58.5406 41.9957 179.3811 26 I 3.6528 7.8553 118.4333 64.5373 37.8760 177.5901 27 H 4.4090 8.1360 116.4705 58.3613 28.6903 177.3831 28 F 4.1535 8.2297 122.7049 61.2374 39.2248 177.2457 29 L 3.8045 8.2532 118.6529 57.8993 41.3660 179.8302 30 R 3.8951 8.0116 117.9432 59.0637 29.8294 178.7576 31 E 4.0666 8.3788 117.1730 58.4807 29.9658 177.5805 32 E 3.9966 7.7215 118.4232 58.3973 29.8516 177.1316 33 L 4.2082 7.3565 114.8688 53.9448 42.3681 176.0350 34 N 4.5640 7.7142 113.8780 53.6713 35.9867 175.2939 35 L 4.3818 7.8597 119.9377 53.9444 40.1205 176.5614 36 T 4.3044 7.8083 107.6229 61.6618 69.4420 177.1564 37 G 3.4625 8.4251 112.7886 48.8323 0.0000 174.8926 38 A 3.9506 7.6700 121.3864 51.9959 18.9521 176.2730 39 H 4.9510 8.5844 118.2157 53.8685 32.6478 173.0901 40 I 4.6206 8.4694 119.4165 59.8545 39.2301 176.2196 41 G 4.2504 8.8001 113.1657 44.8595 0.0000 171.1767 42 C 4.6973 7.5857 112.6526 57.9138 31.6767 173.2681 43 E 4.6261 8.8470 115.8629 56.2990 29.7852 176.3469 44 T 4.3479 7.9269 108.1264 61.4318 69.4520 174.7912 45 S 4.0331 8.1831 116.4864 60.1511 59.9502 170.4546 46 H 4.6252 8.3725 118.6770 58.1342 29.6140 176.4997 47 C 4.1663 8.2108 114.0673 60.1545 29.7737 175.4525 48 G 3.9403 8.6513 105.7551 46.1507 0.0000 174.4444 49 A 4.1792 7.9170 122.3889 53.4765 18.6662 178.9579 50 C 4.6357 7.7716 109.8583 57.6747 30.4719 173.4993 51 T 4.2710 7.3868 117.7880 64.8363 68.4665 173.8401 52 V 4.5385 8.7693 118.1690 59.6694 37.0621 173.6553 53 D 5.1747 8.6615 122.0235 53.2577 42.7930 175.1216 54 I 4.8194 8.9074 126.9109 59.7028 40.3062 175.7283 55 D 4.1799 9.8155 129.7625 55.5019 38.7086 174.9275 56 G 4.0240 8.4437 103.5029 45.6023 0.0000 173.1358 57 R 4.8044 7.7093 117.8658 54.0645 34.7096 174.7410 58 S 4.8025 8.6931 118.2477 58.6399 63.7623 173.9422 59 V 4.4210 8.7479 123.7547 61.0751 35.4873 174.5731 60 K 4.7091 8.7100 126.9012 55.4431 32.1041 177.8139 61 S 4.1655 8.7004 122.1517 60.4020 62.9329 175.9818 62 C 4.4621 7.9347 114.4591 59.5173 30.0374 173.6663 63 T 4.7183 7.9607 118.0419 62.9798 69.2370 173.2120 64 H 4.8465 7.9212 118.9073 54.7140 33.4897 171.8080 65 L 4.8189 8.4622 125.5504 53.1775 43.1829 177.8319 66 A 3.8240 8.6948 125.7721 55.1379 18.2537 180.6053 67 V 3.5182 7.6247 114.9776 64.7127 31.4865 178.0531 68 Q 4.0842 7.5197 117.7318 57.9975 28.7460 176.3750 69 C 4.4882 7.9446 115.2038 58.7081 28.1627 172.5040 70 D 4.3779 7.3980 119.8497 56.1022 40.6154 176.5478 71 G 3.9129 9.1888 115.7930 45.4272 0.0000 172.9346 72 S 4.7190 8.0812 116.6087 57.6779 65.2409 172.8389 73 E 4.6572 9.4305 122.7446 54.8345 31.3070 174.5218 74 V 4.8854 9.0279 128.0759 60.9194 34.5101 173.9486 75 L 5.2323 9.0323 129.8055 53.4590 44.8449 175.3634 76 T 4.8110 9.2502 116.2783 59.2625 71.9514 175.4863 77 V 3.5053 8.3503 120.7666 64.8505 31.1803 178.3067 78 E 3.9530 7.6132 118.8057 58.3848 29.2830 177.7270 79 G 3.9062 7.8913 106.2514 45.3172 0.0000 174.9362 80 L 3.8339 7.6707 120.3345 57.5017 41.7583 177.9713 81 A 4.1045 7.8118 120.1286 52.1673 18.9812 176.1128 82 N 4.6786 8.8706 121.2154 52.3264 39.5949 174.3939 83 K 3.8951 9.6951 126.9201 57.3525 30.5992 176.2963 84 G 3.9042 8.5471 105.6465 44.5728 0.0000 174.2209 85 V 3.9853 7.6278 120.8315 61.2855 32.0095 175.4062 86 L 4.4865 8.4519 127.3460 55.4050 42.3157 177.1372 87 H 4.5236 9.7920 121.0767 55.5210 31.9238 176.1037 88 A 4.1075 8.3895 127.2447 55.9657 18.0732 180.7128 89 V 3.9369 8.2224 110.0375 64.6103 31.8229 178.7285 90 Q 4.0439 8.1000 117.6264 58.8160 28.6039 178.0571 91 E 4.2208 8.6916 120.7058 59.1864 29.6911 179.0672 92 G 3.4183 8.7179 106.2373 47.9150 0.0000 175.7172 93 F 3.9883 8.5496 120.4968 60.1255 38.7418 177.2912 94 Y 4.2255 8.1255 118.9447 60.8637 38.5126 178.0000 95 K 3.3863 7.8577 118.2149 58.9946 32.1383 177.7659 96 E 4.2265 8.0119 115.6447 55.3839 29.8706 175.6945 97 H 4.0343 7.5433 117.6075 57.3962 28.3547 174.7478 98 G 3.9046 8.7355 104.4595 45.0306 0.0000 172.5674 99 L 4.6613 7.3647 117.6726 54.4625 41.5021 173.2927 100 Q 4.4954 7.8659 115.4989 57.4529 31.9961 176.9932 101 C 4.2318 8.1018 118.7684 59.3852 31.0106 175.3657 102 G 4.4671 7.8591 105.5357 46.6630 0.0000 175.1972 103 F 4.0837 8.3161 122.6430 60.6040 39.7321 175.6161 104 C 4.4742 8.0549 113.2682 58.9093 30.7893 175.3898 105 T 3.7549 7.6192 117.7392 66.5548 68.0227 174.2616 106 P 4.2038 0.0000 0.0000 65.5701 31.3253 178.9527 107 G 3.5394 7.8287 103.9727 47.9050 0.0000 175.5952 108 M 4.1495 8.1580 121.1348 58.1638 31.9365 178.8914 109 L 3.7030 8.0384 119.4790 58.0067 41.5943 179.5224 110 M 4.0451 8.0862 118.6713 58.1201 31.7889 178.9004 111 R 3.9868 8.1312 118.7187 59.5483 30.4380 178.2855 112 A 4.3273 8.4633 120.9812 55.5481 18.0976 178.8564 113 Y 4.0610 8.1444 117.2919 60.8419 39.1254 178.0242 114 R 3.8910 7.8515 117.9591 58.8853 30.2858 177.9479 115 F 4.5693 8.6199 122.2755 60.8298 39.4187 176.9593 116 L 3.9518 8.0409 118.9873 56.3137 41.1217 178.8442 117 Q 4.1531 7.5960 117.2578 57.8112 29.1059 177.4917 118 E 4.3544 7.7435 119.4021 57.9620 29.4362 175.6541 119 N 4.7518 7.9708 118.5484 51.7521 39.9542 172.7553 120 P 4.4292 0.0000 0.0000 63.6426 32.3578 176.8512 121 N 5.0463 7.4314 113.1184 50.6104 36.7717 172.6111 122 P 4.7003 0.0000 0.0000 63.2692 33.1270 177.6161 123 T 4.3705 8.6413 111.8148 60.7063 71.3251 175.5826 124 E 3.9117 8.6894 121.1079 59.4952 29.5395 178.5777 125 A 3.9686 7.9833 120.1131 55.3988 18.5424 179.3626 126 E 4.0131 8.1487 116.4982 59.3387 29.4814 179.8134 127 I 3.4892 7.9297 120.0574 64.4327 37.0486 178.4792 128 R 3.8130 7.8367 117.5917 59.5999 30.3180 178.5641 129 M 4.1908 8.1951 118.0055 58.4424 32.0635 178.4282 130 G 3.1550 8.0585 104.8562 46.5345 0.0000 174.5366 131 M 4.4542 7.4494 119.8227 55.1091 32.2022 177.7083 132 T 3.8119 7.5735 111.3207 64.3758 68.9978 175.4211 133 G 3.7793 8.0459 109.5285 46.3625 0.0000 172.0420 134 N 5.2777 8.0539 118.0580 51.4918 40.5012 174.3384 135 L 4.9705 9.0295 124.4572 53.8746 43.7221 175.7989 136 C 4.7780 8.7523 121.1613 58.2087 34.1147 174.0823 137 R 4.3742 8.8356 123.3025 56.8648 31.1298 177.0692 138 C 4.4106 7.9652 114.6492 61.7814 29.1345 175.2385 139 T 3.8258 7.6472 107.9282 62.5797 68.8447 175.6686 140 G 3.7762 7.9454 108.7992 45.1953 0.0000 175.2724 141 Y 3.7167 7.4884 119.0864 59.3880 38.0850 171.7567 142 Q 3.9991 8.3277 120.5821 59.6602 28.9450 178.6439 143 N 4.4026 8.0550 116.1046 55.7688 38.5380 177.4627 144 I 3.2472 7.4557 121.4046 63.9743 37.2802 178.1841 145 V 3.5811 7.8622 119.1433 66.0734 31.2720 178.3195 146 K 4.0153 7.8790 117.9327 59.1710 31.8461 179.2460 147 A 3.9703 7.9697 121.4913 55.2133 18.1538 179.9239 148 V 3.7539 8.0164 117.1157 66.2296 31.6147 178.3011 149 Q 4.0414 8.2691 118.0178 59.0098 28.6214 178.0426 150 Y 3.9410 8.4615 120.6934 60.6258 38.8390 177.9395 151 A 4.2060 8.4904 121.6344 55.0236 18.0618 179.4307 152 A 3.9527 8.3549 119.5506 55.4675 18.2409 180.1486 153 R 3.8760 7.6798 115.4478 59.2350 30.2810 178.9710 154 K 4.0161 7.9009 119.1804 59.2025 31.9372 178.8828 155 L 4.0948 8.0143 118.6280 56.6007 41.5045 178.1668 156 Q 4.5758 7.3741 115.4793 55.5136 29.6969 175.1847 157 E 4.1877 7.7114 127.1709 56.2908 29.6971 175.4374 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 3 K 8.31 4.53 0.00 1.66 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.56 7.81 4 K 8.70 4.42 0.00 1.65 1.66 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.47 7.81 5 I 8.26 4.62 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 1.41 0.48 0.92 0.00 0.00 6 I 9.04 4.81 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.89 0.00 0.00 7 T 8.96 4.98 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 1.22 0.00 0.00 8 V 8.80 4.57 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 1.09 0.00 0.00 0.85 0.00 0.00 9 N 8.97 5.05 0.00 2.99 2.78 0.00 0.00 6.24 6.96 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 10 V 8.75 4.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.05 0.00 0.00 11 N 9.95 4.45 0.00 2.84 2.84 0.00 0.00 7.18 7.24 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 12 G 8.56 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 13 K 7.63 4.67 0.00 1.85 1.64 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.66 4.52 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 15 Q 9.30 4.40 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 16 E 8.83 4.97 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 17 K 9.13 4.87 0.00 1.90 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.81 7.81 18 A 8.63 5.08 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 19 V 8.65 4.60 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 0.71 0.00 0.00 0.87 0.00 0.00 20 E 8.62 4.50 0.00 2.01 1.87 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 2.39 2.28 0.00 21 P 0.00 4.19 0.00 2.02 2.12 0.00 3.67 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 2.02 2.08 0.00 22 R 7.83 4.06 0.00 1.92 2.05 0.00 3.04 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 23 T 8.08 4.02 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 1.34 0.00 0.00 24 L 8.51 4.46 0.00 1.85 1.62 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.92 4.03 0.00 1.76 1.93 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.86 3.65 1.84 0.00 0.00 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 1.47 0.98 0.76 0.00 0.00 27 H 8.14 4.41 0.00 3.44 3.36 0.00 5.70 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 28 F 8.23 4.15 0.00 3.17 3.27 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 29 L 8.25 3.80 0.00 1.87 1.67 0.95 1.00 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 30 R 8.01 3.90 0.00 1.94 1.97 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 31 E 8.38 4.07 0.00 2.03 1.98 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 2.44 2.47 0.00 32 E 7.72 4.00 0.00 1.75 1.53 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 2.09 2.02 0.00 33 L 7.36 4.21 0.00 1.63 1.54 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.71 4.56 0.00 2.81 2.86 0.00 0.00 7.24 7.85 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 35 L 7.86 4.38 0.00 1.65 1.56 0.87 0.66 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 36 T 7.81 4.30 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 1.20 0.00 0.00 37 G 8.43 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.67 3.95 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 39 H 8.58 4.95 0.00 2.35 2.30 0.00 5.62 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 40 I 8.47 4.62 1.98 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 1.27 0.62 0.98 0.00 0.00 41 G 8.80 4.25 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 0.00 0.00 0.00 42 C 7.59 4.70 0.00 3.09 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 43 E 8.85 4.63 0.00 2.08 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 2.18 2.22 0.00 44 T 7.93 4.35 4.36 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 1.26 0.00 0.00 45 S 8.18 4.03 0.00 4.01 4.05 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 46 H 8.37 4.63 0.00 3.14 3.38 0.00 5.91 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 47 C 8.21 4.17 0.00 3.18 3.27 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 48 G 8.65 3.94 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 0.00 0.00 0.00 49 A 7.92 4.18 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 50 C 7.77 4.64 0.00 3.08 3.28 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 51 T 7.39 4.27 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 52 V 8.77 4.54 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.92 0.00 0.00 53 D 8.66 5.17 0.00 2.89 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.91 4.82 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.88 0.00 0.00 55 D 9.82 4.18 0.00 2.76 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 56 G 8.44 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 0.00 0.00 0.00 57 R 7.71 4.80 0.00 1.74 1.78 0.00 3.13 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 58 S 8.69 4.80 0.00 3.79 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 59 V 8.75 4.42 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 0.89 0.00 0.00 0.94 0.00 0.00 60 K 8.71 4.71 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.44 7.81 61 S 8.70 4.17 0.00 4.02 4.14 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 62 C 7.93 4.46 0.00 3.11 3.08 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 63 T 7.96 4.72 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 H 7.92 4.85 0.00 3.14 3.08 0.00 5.85 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 65 L 8.46 4.82 0.00 1.65 1.58 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.69 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.62 3.52 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 0.75 0.00 0.00 0.88 0.00 0.00 68 Q 7.52 4.08 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 69 C 7.94 4.49 0.00 3.02 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 70 D 7.40 4.38 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.19 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 72 S 8.08 4.72 0.00 3.93 3.80 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 73 E 9.43 4.66 0.00 2.05 1.82 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 2.21 2.27 0.00 74 V 9.03 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 75 L 9.03 5.23 0.00 1.65 1.35 0.53 0.23 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 76 T 9.25 4.81 4.20 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 1.18 0.00 0.00 77 V 8.35 3.51 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 0.62 0.00 0.00 0.80 0.00 0.00 78 E 7.61 3.95 0.00 1.75 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 2.29 2.24 0.00 79 G 7.89 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 80 L 7.67 3.83 0.00 1.68 1.65 0.78 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.81 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.87 4.68 0.00 2.82 2.72 0.00 0.00 6.61 6.31 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 83 K 9.70 3.90 0.00 1.92 1.84 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 84 G 8.55 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 0.00 0.00 0.00 85 V 7.63 3.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 86 L 8.45 4.49 0.00 1.73 1.66 0.91 1.15 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 87 H 9.79 4.52 0.00 3.36 3.21 0.00 5.62 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 8.39 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.22 3.94 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 1.10 0.00 0.00 1.03 0.00 0.00 90 Q 8.10 4.04 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 91 E 8.69 4.22 0.00 2.18 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 2.41 2.50 0.00 92 G 8.72 3.42 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 0.00 93 F 8.55 3.99 0.00 3.24 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 94 Y 8.13 4.23 0.00 3.07 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.86 3.39 0.00 0.95 1.37 0.00 1.61 0.00 0.00 1.36 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.00 7.81 96 E 8.01 4.23 0.00 1.88 1.85 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 2.12 2.42 0.00 97 H 7.54 4.03 0.00 3.09 3.25 0.00 5.94 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 98 G 8.74 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 0.00 0.00 0.00 99 L 7.36 4.66 0.00 1.80 1.78 0.99 0.71 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 0.00 100 Q 7.87 4.50 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 101 C 8.10 4.23 0.00 3.10 3.08 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 0.00 102 G 7.86 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 0.00 0.00 0.00 0.00 103 F 8.32 4.08 0.00 2.96 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 0.00 104 C 8.05 4.47 0.00 3.29 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 0.00 105 T 7.62 3.75 4.28 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 1.10 0.00 0.00 106 P 0.00 4.20 0.00 1.95 1.92 0.00 3.43 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 107 G 7.83 3.54 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 0.00 0.00 0.00 108 M 8.16 4.15 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.90 0.00 109 L 8.04 3.70 0.00 1.57 1.52 0.70 0.26 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 0.00 110 M 8.09 4.05 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 111 R 8.13 3.99 0.00 2.05 2.15 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 112 A 8.46 4.33 1.65 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 0.00 0.00 113 Y 8.14 4.06 0.00 2.93 3.27 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 0.00 114 R 7.85 3.89 0.00 2.25 2.12 0.00 3.31 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 115 F 8.62 4.57 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.04 3.95 0.00 1.95 1.63 0.93 0.75 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 0.00 117 Q 7.60 4.15 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 118 E 7.74 4.35 0.00 2.08 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 2.40 2.57 0.00 119 N 7.97 4.75 0.00 2.45 1.88 0.00 0.00 7.18 7.70 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 0.00 120 P 0.00 4.43 0.00 2.01 2.01 0.00 3.62 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 121 N 7.43 5.05 0.00 2.81 2.76 0.00 0.00 7.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.70 0.00 2.47 2.06 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 123 T 8.64 4.37 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 0.00 124 E 8.69 3.91 0.00 2.07 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 2.40 0.00 125 A 7.98 3.97 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 0.00 126 E 8.15 4.01 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 127 I 7.93 3.49 2.07 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 1.88 1.30 0.91 0.00 0.00 128 R 7.84 3.81 0.00 1.83 1.89 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 129 M 8.20 4.19 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 130 G 8.06 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 0.00 0.00 0.00 131 M 7.45 4.45 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 132 T 7.57 3.81 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 1.23 0.00 0.00 133 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.05 5.28 0.00 2.80 2.82 0.00 0.00 6.89 7.65 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 0.00 135 L 9.03 4.97 0.00 1.58 1.70 0.99 0.91 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 0.00 136 C 8.75 4.78 0.00 2.81 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 0.00 0.00 0.00 137 R 8.84 4.37 0.00 1.82 1.93 0.00 3.41 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 138 C 7.97 4.41 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 7.65 3.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 140 G 7.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.49 3.72 0.00 3.23 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 0.00 142 Q 8.33 4.00 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 143 N 8.06 4.40 0.00 2.68 2.98 0.00 0.00 7.08 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 0.00 144 I 7.46 3.25 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.93 0.00 0.00 145 V 7.86 3.58 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 1.05 0.00 0.00 1.00 0.00 0.00 146 K 7.88 4.02 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 147 A 7.97 3.97 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 0.00 148 V 8.02 3.75 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 1.37 0.00 0.00 1.12 0.00 0.00 149 Q 8.27 4.04 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 150 Y 8.46 3.94 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.49 4.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.35 3.95 1.47 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 0.00 153 R 7.68 3.88 0.00 1.79 1.87 0.00 3.07 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 154 K 7.90 4.02 0.00 1.80 1.80 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.35 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 L 8.01 4.09 0.00 1.70 1.70 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.37 4.58 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 157 E 7.71 4.19 0.00 2.02 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 2.21 2.19 0.00