NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1040 8.0544 120.3793 62.6798 34.3418 172.8749 2 E 3.7109 8.9561 124.1718 55.3099 29.5961 176.3946 3 W 5.2643 9.0144 112.1441 55.0195 33.0095 175.4768 4 T 4.5375 8.8924 114.0772 60.7546 71.1079 175.7090 5 D 4.4094 8.6223 122.0006 57.4993 40.7983 179.0152 6 K 3.9155 8.0680 119.4970 59.6778 32.1946 178.5018 7 E 4.0549 8.2819 118.7623 59.5880 29.4350 179.5479 8 R 3.7126 8.0554 118.0884 59.0623 29.9591 179.1972 9 S 4.0549 8.1864 113.0651 61.3828 62.5098 176.1528 10 I 3.7012 8.0281 122.8751 64.4925 36.8004 178.5470 11 I 3.7365 8.0304 120.9086 64.4300 36.9275 178.3591 12 S 4.0513 8.0566 113.9798 61.5174 61.9089 175.4721 13 D 4.2909 8.2378 120.0413 57.3818 41.3327 177.6510 14 I 3.6981 7.9174 119.9086 65.0047 37.3924 178.3597 15 F 3.8032 8.5223 118.3388 60.3963 38.5712 177.4789 16 S 4.4713 8.0656 111.8991 60.0602 63.1112 174.9475 17 H 4.7908 7.5443 118.4917 54.6134 29.4009 173.9427 18 M 3.7551 7.2039 121.6572 55.4658 32.5466 176.4547 19 D 4.7320 7.9962 125.4683 52.5306 40.9104 175.8998 20 Y 4.0333 8.2490 123.4645 60.8530 37.9611 177.6763 21 D 4.4315 8.2653 118.2707 57.4344 40.9956 177.2544 22 D 4.5087 7.8926 118.2335 56.4763 41.4995 178.0171 23 I 3.8165 8.0914 119.9905 64.9762 37.1840 177.8981 24 G 3.8416 8.3763 104.2036 48.8984 0.0000 173.5928 25 P 4.2985 0.0000 0.0000 64.5561 31.7273 179.0925 26 K 3.9246 7.7373 115.7802 59.2904 31.9794 179.3029 27 A 3.9446 8.4169 121.4165 55.1234 18.3946 179.5075 28 L 3.9290 7.6996 119.3015 58.1738 41.9790 179.3295 29 S 4.0372 8.1803 114.3684 61.5035 63.0186 176.4656 30 R 3.7848 8.1487 122.6570 59.0524 29.6640 178.0671 31 C 4.1201 8.0636 118.6662 62.3473 31.1990 175.4468 32 L 3.9159 8.0279 120.1272 56.7842 40.8883 179.2730 33 I 3.8397 6.9652 119.2784 63.8390 37.6236 177.9980 34 V 3.5422 7.3743 117.5729 64.5231 32.6851 175.6783 35 Y 3.5430 7.4755 116.4620 53.8118 38.2364 173.9110 36 P 4.4746 0.0000 0.0000 64.1411 31.7137 178.3851 37 W 4.4071 7.6638 116.8294 59.4095 27.9773 177.5402 38 T 4.2333 7.3852 109.0285 63.3379 68.7073 175.6832 39 Q 4.3835 8.1464 121.2545 57.4003 28.5847 177.4498 40 R 3.8179 7.6325 120.6392 59.5323 30.0538 176.5457 41 H 4.5715 7.7133 111.5831 55.4437 29.0365 174.7743 42 F 4.2567 7.6852 117.1009 56.9483 40.0935 174.7787 43 S 4.5070 8.1275 117.7096 59.5036 63.2044 173.4156 44 G 4.2350 9.3930 116.0439 46.5242 0.0000 175.6230 45 F 4.2384 8.3676 117.5214 58.4502 39.3526 174.0845 46 G 3.9311 7.4646 104.0984 43.9487 0.0000 172.2185 47 N 4.9652 8.6011 116.7463 52.1423 38.6581 174.7262 48 L 4.7767 8.3887 119.9783 54.7109 43.3994 176.8600 49 Y 4.4821 7.9417 116.7801 58.1228 38.8213 175.0579 50 N 4.9671 7.0438 117.5695 50.0986 41.8751 174.5574 51 A 3.9140 8.5353 122.9128 55.7792 18.3379 179.9856 52 E 3.9146 8.3091 116.4827 59.1518 29.3400 179.2499 53 A 3.9069 7.9000 119.7050 55.0432 18.7312 179.3918 54 I 3.7491 7.6550 118.1805 64.5267 37.0167 178.3861 55 I 3.7558 7.4953 119.3177 64.6251 37.1645 178.4205 56 G 3.7743 7.8187 103.2888 45.1403 0.0000 173.2163 57 N 4.4030 7.7398 121.4727 53.3793 39.6543 175.5701 58 A 4.1282 8.5716 127.4317 54.7101 18.6726 179.2715 59 N 4.0480 8.7653 116.0239 56.1841 38.5680 177.6667 60 V 3.7057 8.0437 118.9177 65.9694 31.5797 177.4525 61 A 3.9586 7.8751 120.0246 55.4814 18.2259 179.5833 62 A 3.9817 7.9295 118.8301 55.4499 18.4472 179.1114 63 H 4.5590 8.6260 116.3441 58.5688 30.0631 177.6457 64 G 3.6638 8.0563 107.9569 47.8507 0.0000 175.9430 65 I 3.9478 7.5955 122.3071 63.9126 36.9001 177.9300 66 K 3.9037 7.8769 119.8845 59.7810 32.2066 178.4474 67 V 3.8016 8.0618 118.0980 66.0490 31.5124 177.9400 68 L 4.1745 8.0514 119.8227 58.6302 41.9616 178.6680 69 H 4.5446 8.7272 116.1070 58.4305 28.3132 177.7253 70 G 3.8445 7.7981 106.8704 47.4726 0.0000 174.7758 71 L 5.0245 8.1369 120.8224 55.0737 42.0140 178.3866 72 D 4.2735 8.2673 120.4739 57.4113 40.5801 178.8316 73 R 3.9967 8.0222 114.9689 59.2982 29.5547 178.7093 74 G 4.0000 8.1708 105.9744 47.4477 0.0000 175.8089 75 V 3.3290 7.4822 119.8549 65.6692 31.6594 177.8281 76 K 4.2329 7.7961 115.2375 57.3246 32.8963 176.5604 77 N 5.1527 7.8419 117.6063 52.2987 39.4971 176.1067 78 M 4.2046 8.3057 118.8188 58.4669 32.3774 177.7336 79 D 4.8877 8.1150 115.4497 54.7661 42.2102 175.4907 80 N 5.1640 8.1303 118.0728 52.3428 39.4955 175.7374 81 I 3.8918 8.0486 122.1201 64.5546 37.6392 177.8721 82 A 4.0270 8.0878 120.8663 55.1909 18.0762 179.3456 83 A 3.9682 7.9396 117.3960 55.6665 18.6160 179.3718 84 T 3.8272 7.6779 113.0636 66.8998 68.9534 175.8504 85 Y 4.1965 8.1591 116.9359 58.8649 38.0556 177.4196 86 A 4.0277 7.6921 123.0977 55.5040 18.3139 179.1876 87 D 4.2909 8.0987 116.4244 57.7065 40.9539 178.9089 88 L 4.0167 7.9246 120.0228 57.9099 42.1049 178.8029 89 S 4.3488 8.2194 114.9491 61.1668 62.3125 176.2676 90 T 3.7378 8.0489 118.6662 66.3351 68.1640 176.1571 91 L 3.8916 8.1475 122.5751 58.8688 42.0382 178.9767 92 H 4.2642 8.4927 115.9183 58.6494 28.3145 177.9584 93 S 3.6248 7.8831 115.0093 61.1481 61.9508 175.7524 94 E 4.0582 8.0638 119.5420 57.7744 29.7371 177.6748 95 K 4.1874 7.6571 116.5520 58.2738 33.0239 177.8154 96 L 4.1451 7.8157 116.8374 55.2612 41.9292 176.6556 97 H 4.2136 7.2727 114.0222 56.6373 26.5891 174.7799 98 V 3.6715 8.1419 119.8699 61.6779 31.9535 174.9887 99 D 4.2363 8.7006 127.3330 53.6914 41.4260 174.9889 100 P 2.9803 0.0000 0.0000 65.0743 31.1379 177.6932 101 D 4.2878 8.5277 118.5645 57.0640 41.0761 177.6680 102 N 4.3725 8.1367 117.4011 56.0033 38.4469 177.2407 103 F 4.4874 7.5092 119.5377 60.4215 39.0902 177.5878 104 K 3.9495 7.9925 118.7187 59.5756 32.0405 178.6952 105 L 3.8027 7.7016 118.9246 57.6957 41.3373 179.3511 106 L 4.0653 8.2000 120.3031 58.0182 41.9392 179.1472 107 S 4.1866 8.1202 115.2354 61.7529 62.7429 176.3197 108 D 4.4829 8.0853 121.1920 57.7449 40.5341 178.7601 109 C 4.2022 8.0343 117.2678 62.7884 28.0120 176.2175 110 I 3.7503 8.1150 121.7240 64.7737 36.5993 178.5683 111 T 4.0238 8.5148 116.9629 66.7917 68.3880 176.8360 112 I 3.6763 7.9433 121.8559 64.1458 37.1215 178.7584 113 V 3.4256 7.8729 119.1703 65.9832 31.4131 177.8669 114 L 3.6653 7.9249 119.9953 57.8686 41.6832 178.8719 115 A 2.9065 7.1392 120.6134 54.6031 18.0218 179.4658 116 A 3.9250 7.4788 117.9462 54.5969 18.4372 179.3381 117 K 3.9756 7.4676 117.7714 59.2777 32.6151 178.2628 118 M 4.2079 8.2577 118.3027 53.9943 32.6604 177.9005 119 G 3.8357 8.6272 107.4874 46.4343 0.0000 176.3042 120 H 4.0408 9.2617 123.0759 58.7374 29.5727 175.8130 121 A 4.0759 7.7155 120.8121 54.1795 18.8737 177.6434 122 F 4.5065 7.7412 120.7410 57.2207 38.0361 174.8192 123 T 4.0385 7.1702 114.9292 61.1457 71.2273 174.8923 124 A 3.8400 8.3325 122.3592 55.2052 18.1113 179.4420 125 E 3.8148 7.9427 117.2101 59.7753 29.8404 179.0687 126 T 3.7931 7.7972 115.9052 66.3926 68.3537 176.3439 127 Q 3.5845 7.7260 121.7746 58.9852 29.0262 178.5898 128 G 3.6916 8.2049 106.5042 48.0573 0.0000 175.4674 129 A 4.2222 7.8653 123.7886 54.5812 18.3130 179.5628 130 F 4.2927 8.9089 119.7637 61.5510 39.4573 177.5179 131 Q 3.9963 8.7108 118.1912 58.6916 28.6504 178.3666 132 K 3.8882 8.2970 120.7047 59.6639 32.1991 178.2352 133 F 4.5776 8.4724 120.6456 61.7812 39.3050 177.2251 134 L 3.6295 8.0229 118.0664 57.3905 41.3033 179.3560 135 A 3.9778 8.1750 121.3447 54.8184 18.2560 179.8146 136 V 3.5163 7.5719 116.7273 65.8553 31.5573 178.5112 137 V 3.0894 7.0471 117.8679 65.5057 31.3538 178.2619 138 V 3.3508 7.4835 118.1512 65.7184 31.1076 177.8992 139 S 4.0154 7.7576 111.8205 61.4768 62.0573 175.8481 140 A 4.1222 7.7359 123.3079 55.0409 18.1240 179.6144 141 L 3.9848 7.8665 117.8667 57.2350 41.3867 178.9693 142 G 4.1504 8.0315 103.9926 45.3872 0.0000 175.5206 143 K 4.3245 7.7999 119.8805 58.8846 32.7493 177.3503 144 Q 4.4494 8.1376 118.6831 55.9855 29.0265 175.7510 145 Y 4.1592 7.4406 116.8357 57.1055 37.0255 175.8354 146 H 4.5954 8.2556 120.6576 55.7448 29.0440 175.5347 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 2.02 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 0.92 0.00 0.00 0.90 0.00 0.00 2 E 8.96 3.71 0.00 1.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 3 W 9.01 5.26 0.00 3.34 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 4 T 8.89 4.54 4.31 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 1.27 0.00 0.00 5 D 8.62 4.41 0.00 2.82 2.79 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 6 K 8.07 3.92 0.00 1.85 1.85 0.00 2.06 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.55 7.81 7 E 8.28 4.05 0.00 2.51 2.25 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 2.51 2.50 0.00 8 R 8.06 3.71 0.00 2.06 1.92 0.00 3.15 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 9 S 8.19 4.05 0.00 3.93 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 10 I 8.03 3.70 2.01 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 1.53 0.93 0.94 0.00 0.00 11 I 8.03 3.74 1.55 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 1.53 0.41 0.31 0.00 0.00 12 S 8.06 4.05 0.00 3.89 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 13 D 8.24 4.29 0.00 2.77 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 14 I 7.92 3.70 1.82 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 1.39 0.72 0.35 0.00 0.00 15 F 8.52 3.80 0.00 3.19 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 16 S 8.07 4.47 0.00 3.99 3.99 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 17 H 7.54 4.79 0.00 3.04 3.27 0.00 5.85 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 18 M 7.20 3.76 0.00 1.45 1.37 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 0.00 19 D 8.00 4.73 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.25 4.03 0.00 3.09 2.94 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 21 D 8.27 4.43 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.89 4.51 0.00 2.85 2.62 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 23 I 8.09 3.82 1.75 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 1.56 0.44 0.81 0.00 0.00 24 G 8.38 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 0.00 0.00 0.00 25 P 0.00 4.30 0.00 2.16 2.11 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 26 K 7.74 3.92 0.00 2.04 1.81 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 A 8.42 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.93 0.00 1.73 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.18 4.04 0.00 4.04 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 0.00 30 R 8.15 3.78 0.00 1.96 2.06 0.00 3.05 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 31 C 8.06 4.12 0.00 3.19 3.10 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 32 L 8.03 3.92 0.00 1.64 1.61 0.60 0.43 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 33 I 6.97 3.84 1.89 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 1.33 0.48 0.82 0.00 0.00 34 V 7.37 3.54 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 -0.08 0.00 0.00 0.77 0.00 0.00 35 Y 7.48 3.54 0.00 2.31 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 36 P 0.00 4.47 0.00 2.42 2.41 0.00 3.28 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 37 W 7.66 4.41 0.00 3.60 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.39 4.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 39 Q 8.15 4.38 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 40 R 7.63 3.82 0.00 2.03 1.80 0.00 3.24 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 41 H 7.71 4.57 0.00 2.31 2.69 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.69 4.26 0.00 2.88 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.51 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.39 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 0.00 0.00 0.00 0.00 45 F 8.37 4.24 0.00 3.38 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.46 3.93 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 0.00 0.00 0.00 47 N 8.60 4.97 0.00 3.23 3.06 0.00 0.00 5.64 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.39 4.78 0.00 1.66 1.66 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.94 4.48 0.00 3.11 3.14 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 50 N 7.04 4.97 0.00 2.86 2.74 0.00 0.00 6.11 7.37 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 51 A 8.54 3.91 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 52 E 8.31 3.91 0.00 2.09 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 2.28 2.43 0.00 53 A 7.90 3.91 1.10 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 54 I 7.65 3.75 1.91 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 1.47 0.95 0.84 0.00 0.00 55 I 7.50 3.76 1.82 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 1.41 0.52 0.87 0.00 0.00 56 G 7.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.74 4.40 0.00 2.93 2.81 0.00 0.00 6.96 7.99 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 58 A 8.57 4.13 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 59 N 8.77 4.05 0.00 2.71 1.74 0.00 0.00 6.48 7.56 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 60 V 8.04 3.71 2.25 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 0.98 0.00 0.00 0.99 0.00 0.00 61 A 7.88 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 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 63 H 8.63 4.56 0.00 3.69 3.70 0.00 5.78 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 64 G 8.06 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 65 I 7.60 3.95 1.95 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 1.67 0.80 1.04 0.00 0.00 66 K 7.88 3.90 0.00 1.96 1.83 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 8.06 3.80 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 1.04 0.00 0.00 0.98 0.00 0.00 68 L 8.05 4.17 0.00 2.07 1.90 1.01 1.07 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 69 H 8.73 4.54 0.00 3.45 3.27 0.00 5.69 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 70 G 7.80 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 0.00 0.00 0.00 71 L 8.14 5.02 0.00 1.99 2.03 1.31 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.27 4.27 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.00 0.00 1.81 1.96 0.00 2.33 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.00 74 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 3.33 1.88 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 0.62 0.00 0.00 -0.34 0.00 0.00 76 K 7.80 4.23 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.62 7.81 77 N 7.84 5.15 0.00 2.83 2.75 0.00 0.00 6.87 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 78 M 8.31 4.20 0.00 1.59 1.98 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.28 0.00 79 D 8.12 4.89 0.00 2.74 2.80 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 80 N 8.13 5.16 0.00 2.79 2.69 0.00 0.00 7.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.05 3.89 1.99 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.76 0.99 0.00 0.00 82 A 8.09 4.03 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 83 A 7.94 3.97 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 84 T 7.68 3.83 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 0.75 0.00 0.00 85 Y 8.16 4.20 0.00 3.20 2.94 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 86 A 7.69 4.03 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 87 D 8.10 4.29 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.02 0.00 1.82 1.94 1.01 1.02 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 89 S 8.22 4.35 0.00 4.11 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 90 T 8.05 3.74 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 1.21 0.00 0.00 91 L 8.15 3.89 0.00 1.73 1.89 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.49 4.26 0.00 3.59 3.80 0.00 5.86 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 93 S 7.88 3.62 0.00 2.72 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 94 E 8.06 4.06 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 95 K 7.66 4.19 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 96 L 7.82 4.15 0.00 1.61 1.65 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.27 4.21 0.00 3.26 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.14 3.67 2.19 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 0.46 0.00 0.00 0.82 0.00 0.00 99 D 8.70 4.24 0.00 2.69 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 0.00 0.00 0.00 0.00 100 P 0.00 2.98 0.00 2.02 1.72 0.00 3.42 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 0.00 101 D 8.53 4.29 0.00 2.69 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 0.00 102 N 8.14 4.37 0.00 2.72 2.81 0.00 0.00 6.86 8.34 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 0.00 103 F 7.51 4.49 0.00 3.11 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 0.00 104 K 7.99 3.95 0.00 1.82 1.95 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 105 L 7.70 3.80 0.00 1.59 1.07 0.82 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.20 4.07 0.00 1.86 1.77 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.12 4.19 0.00 4.17 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 0.00 108 D 8.09 4.48 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.03 4.20 0.00 3.14 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 0.00 110 I 8.11 3.75 2.20 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 1.62 1.05 1.18 0.00 0.00 111 T 8.51 4.02 4.59 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 1.52 0.00 0.00 112 I 7.94 3.68 1.86 0.00 0.00 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 1.70 1.41 0.87 0.00 0.00 113 V 7.87 3.43 2.16 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 0.91 0.00 0.00 0.88 0.00 0.00 114 L 7.92 3.67 0.00 1.40 1.21 0.55 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.14 2.91 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 0.00 116 A 7.48 3.93 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 0.00 117 K 7.47 3.98 0.00 1.62 1.80 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.41 7.81 118 M 8.26 4.21 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 119 G 8.63 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 0.00 0.00 0.00 120 H 9.26 4.04 0.00 3.09 3.40 0.00 5.93 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 0.00 121 A 7.72 4.08 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 0.00 122 F 7.74 4.51 0.00 2.88 3.11 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 0.00 123 T 7.17 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 124 A 8.33 3.84 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 0.00 125 E 7.94 3.81 0.00 2.00 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 2.37 2.39 0.00 126 T 7.80 3.79 3.88 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 1.13 0.00 0.00 127 Q 7.73 3.58 0.00 1.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 128 G 8.20 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 0.00 129 A 7.87 4.22 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 0.00 130 F 8.91 4.29 0.00 3.33 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.71 4.00 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 132 K 8.30 3.89 0.00 2.09 2.29 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.45 1.42 7.81 133 F 8.47 4.58 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.02 3.63 0.00 1.74 1.55 0.80 0.77 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 0.00 135 A 8.18 3.98 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 0.00 136 V 7.57 3.52 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 1.03 0.00 0.00 0.83 0.00 0.00 137 V 7.05 3.09 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 0.25 0.00 0.00 0.08 0.00 0.00 138 V 7.48 3.35 2.16 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 0.97 0.00 0.00 0.93 0.00 0.00 139 S 7.76 4.02 0.00 4.03 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 0.00 140 A 7.74 4.12 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 0.00 141 L 7.87 3.98 0.00 1.31 0.69 -0.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.03 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 0.00 143 K 7.80 4.32 0.00 1.99 1.99 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.62 7.81 144 Q 8.14 4.45 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 145 Y 7.44 4.16 0.00 3.14 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 0.00 146 H 8.26 4.60 0.00 3.15 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00