NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0181 8.3049 120.3040 54.4767 33.3875 176.4607 2 K 3.6845 8.0552 118.7045 56.9857 32.4277 176.4586 3 K 4.4575 7.5153 116.6033 55.7762 34.9398 174.0587 4 V 4.3620 7.7194 114.0336 60.3454 33.5622 172.2649 5 A 5.0913 8.4599 124.2087 50.6429 22.5468 176.8504 6 G 4.3433 8.0719 108.4317 45.4477 0.0000 171.1634 7 I 3.9874 7.8920 121.4886 59.0152 42.5075 173.5757 8 V 3.3969 8.7825 126.0873 61.8080 32.2509 170.8031 9 K 4.8414 8.4759 124.9032 54.6344 34.8219 175.4666 10 L 4.7614 8.0640 120.7290 53.4944 46.1262 177.0557 11 Q 4.2948 8.3239 121.7964 53.9155 27.7514 176.4404 12 L 3.8776 7.5687 117.5316 55.2273 41.1226 177.3156 13 P 4.6269 0.0000 0.0000 62.2441 30.3215 177.0890 14 A 4.3722 8.6040 129.6747 53.5017 18.5087 178.3168 15 G 3.9406 8.2731 106.6774 46.2355 0.0000 174.3687 16 K 3.9083 7.9904 119.1605 57.5756 31.9184 176.8893 17 A 4.4708 7.8952 125.8444 52.2523 20.3135 177.3144 18 T 3.7335 7.8738 114.5178 64.5433 68.3492 173.4952 19 P 4.1356 0.0000 0.0000 62.8309 31.1329 176.0286 20 A 4.2061 7.6832 126.9168 51.3173 26.3000 178.8333 21 P 3.7718 0.0000 0.0000 62.5029 34.9007 176.8884 22 P 3.7969 0.0000 0.0000 65.5210 31.1063 178.8435 23 V 4.5155 5.4500 115.1887 60.7878 36.3927 174.2983 24 G 3.9093 7.9785 113.0541 45.6839 0.0000 173.6608 25 P 4.3097 0.0000 0.0000 63.6370 31.4396 176.5965 26 A 4.3517 7.7345 121.4094 53.2207 19.5732 178.1500 27 L 4.5901 8.3209 115.4057 50.3596 42.1359 175.4104 28 G 4.5448 7.3394 111.8890 46.2899 0.0000 168.8077 29 Q 4.4181 7.8339 130.3436 55.9253 32.6381 173.8320 30 Y 4.9221 7.8289 113.0382 57.4385 38.8512 175.1113 31 G 4.2109 8.0075 109.2585 46.4650 0.0000 174.6324 32 A 4.3644 7.4021 121.6422 52.4163 20.5767 178.3783 33 N 3.8134 6.2500 108.5003 48.8490 41.6032 174.9552 34 I 3.5186 7.0026 124.0530 61.2759 36.4379 173.9517 35 M 4.6473 7.4981 116.5330 54.8867 31.8905 175.7475 36 E 4.5056 7.2173 117.8366 55.6014 32.7806 174.8551 37 F 4.5972 8.6961 120.4971 57.8333 41.9725 175.7985 38 T 4.3719 7.8898 116.2882 63.6726 69.1359 174.2070 39 K 3.9566 8.4956 119.7833 56.9737 29.6802 176.5534 40 A 3.7807 7.3961 117.9634 52.3415 20.9206 175.0914 41 F 4.3372 7.4325 120.2379 54.7670 35.5707 174.9597 42 N 5.9841 8.2028 131.9990 54.3382 39.4117 175.3046 43 A 3.9717 7.7926 121.3914 53.9239 17.4816 177.3078 44 Q 4.5484 8.9632 113.7418 54.9103 30.0061 176.9300 45 T 4.4292 7.2299 117.5245 60.9912 67.6536 173.5063 46 A 4.3184 7.5245 125.4862 52.0948 21.0035 177.6116 47 D 4.3546 8.3891 118.0102 56.2636 41.6967 176.0927 48 K 4.2819 7.0296 114.4946 57.1406 35.1856 175.0759 49 G 3.8749 8.6641 108.8790 45.5582 0.0000 174.0448 50 D 4.5239 7.2512 115.1517 53.5883 43.3603 175.3761 51 A 4.5807 7.7526 129.9857 51.5255 18.9160 175.8995 52 I 4.3840 8.7389 118.5409 63.8069 45.4482 173.0536 53 I 3.0686 7.6460 129.0100 60.9477 33.7997 171.6625 54 P 4.6235 0.0000 0.0000 61.7107 32.8585 175.5296 55 V 4.1664 7.4889 116.3557 61.7570 33.0740 171.9241 56 E 4.0942 8.7492 120.4188 55.9875 29.6864 176.6128 57 I 3.1740 7.6259 110.2499 62.7690 35.4054 173.3047 58 T 3.8622 7.9268 118.9141 61.2777 69.3438 175.2199 59 I 4.1769 7.2491 123.3203 59.9848 38.6208 174.5502 60 Y 4.6898 7.5578 123.3478 55.9808 39.6747 176.7056 61 A 4.2208 8.6743 122.7488 54.2156 18.4356 176.7971 62 D 4.9851 7.4807 113.7384 52.5167 43.3848 176.7829 63 R 4.8115 8.1867 117.9976 54.8854 31.4452 174.4219 64 S 4.4179 8.2516 113.9394 58.8731 65.1034 171.1939 65 F 3.5008 8.0584 123.0155 57.0890 38.2572 173.4614 66 T 4.6076 7.7898 111.4774 61.9726 72.5698 176.0493 67 F 4.4746 7.4651 122.7958 54.6274 41.4717 176.6772 68 I 3.1693 9.1663 135.0000 62.9055 33.2302 171.5900 69 T 4.7669 7.8554 117.8047 61.0850 70.9537 171.6062 70 K 4.4429 8.0406 120.6733 55.9200 34.7363 177.0451 71 T 4.4172 8.3180 114.9000 60.2626 67.5112 173.7372 72 P 4.3205 0.0000 0.0000 64.5435 31.7439 176.7240 73 P 4.6116 0.0000 0.0000 64.1971 31.3416 176.9096 74 M 4.1049 7.9527 119.9593 58.4834 32.7642 176.8724 75 S 4.6208 7.5724 111.8167 55.4691 61.6828 174.2524 76 Y 4.4473 6.9446 117.8181 58.9633 40.7606 172.7416 77 L 5.7071 7.4108 135.0000 56.0321 42.4243 173.6707 78 I 4.5387 7.1694 109.0714 61.0243 38.4190 175.3184 79 R 4.4823 6.8383 119.1215 55.6584 31.3803 175.8187 80 K 4.3155 6.6982 110.3381 53.9633 33.8845 174.3269 81 A 5.4115 7.2695 133.5072 52.1100 22.1543 176.4974 82 A 4.4113 7.0806 125.4184 54.3112 23.7962 175.4713 83 G 3.9134 7.6121 101.4448 47.1756 0.0000 172.4309 84 I 4.5352 8.0920 121.9441 59.8075 39.2921 174.9046 85 G 4.0369 7.6973 121.0166 45.2705 0.0000 173.9060 86 K 4.3020 8.9385 123.9709 55.7232 30.7363 174.6378 87 G 3.8493 7.8513 109.4296 46.7231 0.0000 172.8113 88 S 4.6688 7.8800 121.4099 56.1631 64.3528 173.6695 89 S 4.4900 8.5748 121.4358 58.8215 61.9951 174.8517 90 T 4.3847 8.4489 107.4833 65.0110 67.8328 171.8278 91 P 3.6931 0.0000 0.0000 62.8662 29.1628 174.8198 92 N 4.5025 10.3168 120.2489 53.3988 34.6020 172.2912 93 K 4.4730 7.6730 121.0290 56.9863 39.6530 174.9156 94 A 4.3729 8.2768 125.2134 51.9897 25.3543 177.3685 95 K 4.4792 8.8626 112.3516 55.9203 35.3361 176.4489 96 V 3.6400 7.7638 112.6636 62.4629 32.0194 173.7160 97 G 4.0991 10.0496 116.2054 45.5845 0.0000 172.8549 98 K 4.5308 8.2006 122.4184 55.2845 34.8446 173.3642 99 L 4.3190 7.6033 122.0220 53.7565 43.5617 176.0111 100 N 4.3524 7.5307 114.8498 53.2173 42.2948 175.4382 101 W 4.4374 9.2090 134.6225 60.8033 30.9964 177.1662 102 D 3.8269 8.2782 116.0257 56.3500 41.0379 175.7186 103 Q 4.3545 7.3044 120.4829 55.8943 28.3095 175.6377 104 V 4.4589 7.2103 112.1895 62.6791 32.3463 174.7486 105 L 4.5475 7.3930 116.7012 55.6182 44.7306 176.4653 106 E 4.3659 7.7251 119.6254 56.9017 30.2676 176.3836 107 I 4.6491 7.3256 114.3354 60.1465 38.3408 175.5426 108 A 4.5903 7.5472 129.3507 52.5187 21.4500 177.3955 109 K 4.3362 7.6073 118.0263 55.0714 31.7371 178.6074 110 T 4.5925 7.1056 112.7290 62.5289 71.1914 175.5398 111 K 4.4104 7.3461 121.5863 56.2279 34.5929 175.1006 112 M 4.5739 8.2083 123.8623 55.9071 39.4291 174.3942 113 P 4.4224 0.0000 0.0000 64.6048 32.1434 175.9416 114 D 4.6360 8.0219 115.8594 55.2943 42.8785 175.8745 115 L 3.9602 7.8152 121.9586 55.3716 42.0275 176.8982 116 N 4.5331 8.8938 122.4878 54.5497 38.1229 175.2070 117 A 4.1546 7.2272 121.3655 48.7224 20.0199 177.1367 118 G 4.1292 8.0643 106.5496 45.3179 0.0000 172.4311 119 S 4.4966 7.3737 117.8075 57.9851 66.8795 173.2690 120 V 4.1305 8.2877 120.7314 63.0168 32.1365 175.7369 121 E 3.7741 8.7205 122.4568 56.7617 26.8383 174.0736 122 A 4.7838 8.0442 118.9702 53.6808 25.2244 177.3242 123 A 4.6365 7.9090 118.0101 51.8656 19.2330 177.7871 124 A 4.5765 7.7349 117.4480 54.7790 21.6047 177.7370 125 N 4.6254 8.0555 117.0380 55.8326 38.4931 177.7204 126 T 3.7564 7.8914 114.5109 66.1201 68.6782 175.4741 127 V 3.9759 7.4911 126.9220 62.1131 30.3522 175.5710 128 A 4.4787 7.5984 127.0932 51.6450 20.1953 175.9226 129 G 4.2126 7.3834 105.1170 47.1724 0.0000 173.6176 130 T 4.3975 8.7173 119.4637 64.3167 72.3879 174.7608 131 A 4.6956 7.7626 122.2557 51.9662 19.5902 178.9315 132 R 3.9491 8.0512 121.4331 60.7972 30.3097 179.2582 133 S 4.1685 8.0313 111.1870 61.1120 62.4511 174.5611 134 M 4.1708 8.0574 118.2046 55.1260 32.1705 176.2594 135 G 3.9532 8.0355 105.9838 46.1894 0.0000 172.3734 136 V 4.4969 7.4292 115.0108 60.4755 36.0405 174.3584 137 T 4.4935 8.1724 116.6156 62.2695 69.4385 174.6438 138 V 3.2685 8.1480 125.8885 64.6919 32.3278 175.1374 139 E 3.6958 8.6741 120.5817 54.5112 26.9175 171.6162 140 G 3.5563 9.4910 114.0995 43.3275 0.0000 169.7416 141 G 3.7157 7.2352 121.8940 45.1725 0.0000 172.2285 142 P 4.3267 0.0000 0.0000 65.6301 27.8737 175.7629 143 N 4.4795 8.1560 118.3062 53.5569 38.7814 174.5421 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 M 8.30 4.02 0.00 1.70 1.48 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 2 K 8.06 3.68 0.00 1.85 1.85 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 K 7.52 4.46 0.00 1.63 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.26 7.81 4 V 7.72 4.36 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 0.70 0.00 0.00 0.96 0.00 0.00 5 A 8.46 5.09 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 6 G 8.07 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.89 3.99 1.87 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 1.30 0.38 0.92 0.00 0.00 8 V 8.78 3.40 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 0.79 0.00 0.00 0.94 0.00 0.00 9 K 8.48 4.84 0.00 1.74 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.41 7.81 10 L 8.06 4.76 0.00 1.53 1.46 0.91 0.91 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 11 Q 8.32 4.29 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 12 L 7.57 3.88 0.00 1.60 1.63 -0.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.63 0.00 2.04 1.92 0.00 3.64 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 14 A 8.60 4.37 1.25 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 15 G 8.27 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 16 K 7.99 3.91 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 17 A 7.90 4.47 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 18 T 7.87 3.73 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 0.99 0.00 0.00 19 P 0.00 4.14 0.00 2.02 1.85 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 20 A 7.68 4.21 1.16 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 21 P 0.00 3.77 0.00 2.05 1.98 0.00 3.69 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 1.99 2.14 0.00 22 P 0.00 3.80 0.00 1.99 1.83 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 23 V 5.45 4.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.93 0.00 0.00 24 G 7.98 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 25 P 0.00 4.31 0.00 2.04 2.10 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 26 A 7.73 4.35 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 27 L 8.32 4.59 0.00 1.69 1.55 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.34 4.54 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 29 Q 7.83 4.42 0.00 1.66 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 1.85 2.10 0.00 30 Y 7.83 4.92 0.00 3.01 2.83 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 31 G 8.01 4.21 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 0.00 0.00 0.00 32 A 7.40 4.36 1.19 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 0.00 0.00 33 N 6.25 3.81 0.00 2.03 1.42 0.00 0.00 6.92 7.32 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 34 I 7.00 3.52 1.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.90 0.00 0.00 35 M 7.50 4.65 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 36 E 7.22 4.51 0.00 1.61 1.67 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 2.18 2.18 0.00 37 F 8.70 4.60 0.00 2.88 3.02 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 38 T 7.89 4.37 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 1.27 0.00 0.00 39 K 8.50 3.96 0.00 1.79 1.66 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.34 7.81 40 A 7.40 3.78 1.02 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 41 F 7.43 4.34 0.00 3.28 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 42 N 8.20 5.98 0.00 2.84 3.02 0.00 0.00 7.32 7.96 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 43 A 7.79 3.97 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 44 Q 8.96 4.55 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.11 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 45 T 7.23 4.43 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 1.28 0.00 0.00 46 A 7.52 4.32 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 47 D 8.39 4.35 0.00 2.63 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 48 K 7.03 4.28 0.00 1.56 1.64 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.07 1.01 7.81 49 G 8.66 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 50 D 7.25 4.52 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.75 4.58 0.42 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 52 I 8.74 4.38 1.94 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 1.44 0.50 1.05 0.00 0.00 53 I 7.65 3.07 1.77 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 1.53 0.41 0.90 0.00 0.00 54 P 0.00 4.62 0.00 2.20 2.15 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 55 V 7.49 4.17 2.15 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 0.23 0.00 0.00 nan 0.00 0.00 56 E 8.75 4.09 0.00 1.94 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 2.23 2.33 0.00 57 I 7.63 3.17 1.92 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 1.52 0.99 0.91 0.00 0.00 58 T 7.93 3.86 3.30 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 1.17 0.00 0.00 59 I 7.25 4.18 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 1.01 0.00 0.00 60 Y 7.56 4.69 0.00 2.96 2.78 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 61 A 8.67 4.22 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 62 D 7.48 4.99 0.00 2.70 2.63 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 63 R 8.19 4.81 0.00 1.83 1.98 0.00 3.45 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 64 S 8.25 4.42 0.00 3.79 3.79 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 0.00 0.00 0.00 0.00 65 F 8.06 3.50 0.00 3.40 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.79 4.61 4.49 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 1.27 0.00 0.00 67 F 7.47 4.47 0.00 2.94 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 0.00 0.00 0.00 68 I 9.17 3.17 1.95 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 1.37 0.30 0.98 0.00 0.00 69 T 7.86 4.77 4.64 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 1.39 0.00 0.00 70 K 8.04 4.44 0.00 1.88 1.81 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.55 7.81 71 T 8.32 4.42 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 1.26 0.00 0.00 72 P 0.00 4.32 0.00 2.25 2.11 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 73 P 0.00 4.61 0.00 2.23 2.22 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 74 M 7.95 4.10 0.00 1.98 2.32 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 2.63 2.64 0.00 75 S 7.57 4.62 0.00 3.87 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 76 Y 6.94 4.45 0.00 2.98 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 77 L 7.41 5.71 0.00 1.77 1.71 0.96 1.03 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 78 I 7.17 4.54 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.87 0.00 0.00 79 R 6.84 4.48 0.00 1.10 1.72 0.00 3.47 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 80 K 6.70 4.32 0.00 1.20 1.45 0.00 2.05 0.00 0.00 2.12 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.42 7.81 81 A 7.27 5.41 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 82 A 7.08 4.41 1.15 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 83 G 7.61 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 84 I 8.09 4.54 1.88 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 1.36 1.00 0.92 0.00 0.00 85 G 7.70 4.04 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 0.00 0.00 0.00 86 K 8.94 4.30 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 87 G 7.85 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 88 S 7.88 4.67 0.00 3.97 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 89 S 8.57 4.49 0.00 3.81 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 90 T 8.45 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 91 P 0.00 3.69 0.00 2.14 2.18 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 92 N 10.32 4.50 0.00 2.80 3.17 0.00 0.00 6.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.67 4.47 0.00 1.65 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.38 7.81 94 A 8.28 4.37 1.15 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 95 K 8.86 4.48 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 96 V 7.76 3.64 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 0.68 0.00 0.00 0.93 0.00 0.00 97 G 10.05 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 0.00 0.00 0.00 98 K 8.20 4.53 0.00 1.67 1.65 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 99 L 7.60 4.32 0.00 1.65 1.49 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.53 4.35 0.00 2.69 2.61 0.00 0.00 6.55 7.95 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 0.00 101 W 9.21 4.44 0.00 3.19 3.29 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 0.00 102 D 8.28 3.83 0.00 2.51 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 0.00 103 Q 7.30 4.35 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 104 V 7.21 4.46 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 0.98 0.00 0.00 1.07 0.00 0.00 105 L 7.39 4.55 0.00 1.58 1.38 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.73 4.37 0.00 1.93 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 2.24 2.30 0.00 107 I 7.33 4.65 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.88 0.00 0.00 108 A 7.55 4.59 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 0.00 109 K 7.61 4.34 0.00 1.94 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.43 7.81 110 T 7.11 4.59 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 1.30 0.00 0.00 111 K 7.35 4.41 0.00 1.90 1.70 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.43 7.81 112 M 8.21 4.57 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 113 P 0.00 4.42 0.00 2.24 2.18 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 114 D 8.02 4.64 0.00 2.65 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 0.00 115 L 7.82 3.96 0.00 1.69 1.56 0.95 0.66 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 N 8.89 4.53 0.00 2.76 2.86 0.00 0.00 7.05 7.35 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 0.00 117 A 7.23 4.15 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 0.00 118 G 8.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.37 4.50 0.00 3.85 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 0.00 120 V 8.29 4.13 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 0.72 0.00 0.00 0.93 0.00 0.00 121 E 8.72 3.77 0.00 2.12 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 2.22 2.28 0.00 122 A 8.04 4.78 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 0.00 123 A 7.91 4.64 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 0.00 124 A 7.73 4.58 1.25 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 0.00 125 N 8.06 4.63 0.00 2.91 3.07 0.00 0.00 6.19 7.22 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 0.00 126 T 7.89 3.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 127 V 7.49 3.98 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 0.78 0.00 0.00 0.93 0.00 0.00 128 A 7.60 4.48 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 0.00 129 G 7.38 4.21 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 0.00 0.00 0.00 130 T 8.72 4.40 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 0.00 131 A 7.76 4.70 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 0.00 132 R 8.05 3.95 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 133 S 8.03 4.17 0.00 3.83 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 0.00 134 M 8.06 4.17 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 135 G 8.04 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 0.00 136 V 7.43 4.50 2.21 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 0.90 0.00 0.00 0.94 0.00 0.00 137 T 8.17 4.49 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 1.22 0.00 0.00 138 V 8.15 3.27 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 0.83 0.00 0.00 0.95 0.00 0.00 139 E 8.67 3.70 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 2.26 2.50 0.00 140 G 9.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.24 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.33 0.00 2.08 2.04 0.00 3.72 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 143 N 8.16 4.48 0.00 2.72 2.66 0.00 0.00 6.90 7.44 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