NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7167 8.0549 120.3573 62.7701 32.6022 174.3506 2 H 4.6334 8.2888 124.0194 53.3782 30.2117 172.4820 3 W 4.8680 8.4935 124.9913 55.0109 31.6652 176.5921 4 T 4.2379 8.6083 114.4415 61.4577 70.1954 175.5936 5 Q 4.0339 8.5210 119.8909 58.9010 28.7768 178.6040 6 E 3.9475 8.1563 120.4030 59.2786 29.6948 178.8336 7 E 3.9078 8.1071 118.1263 59.4021 29.7159 179.0537 8 R 3.5958 7.7591 117.6119 59.4832 30.1251 178.9006 9 D 4.3174 7.6900 119.6437 56.4942 40.7154 178.2036 10 E 3.8848 7.8507 119.3908 59.4386 29.6227 179.0477 11 I 3.1048 7.3236 119.6391 64.1718 36.7515 178.6210 12 S 4.0753 7.6986 115.0253 61.5016 62.5429 176.5435 13 K 4.0575 8.5270 122.5532 59.3433 31.7394 179.5651 14 T 4.2616 7.7220 117.4704 66.2488 68.3310 176.9711 15 F 4.0960 8.1818 117.7096 60.0277 38.8767 177.1333 16 Q 4.4277 7.8761 117.6074 58.0834 28.9802 176.8157 17 G 3.9850 9.0100 107.5954 46.0473 0.0000 173.2675 18 T 4.6471 7.8740 116.2342 60.9498 72.2769 173.2480 19 D 4.8254 8.2154 123.8215 53.9032 39.1985 176.7041 20 M 4.0054 7.9850 123.8177 57.2005 32.4025 177.8824 21 K 4.0873 7.9685 118.7644 59.5288 32.2913 179.2498 22 T 3.9487 7.9347 115.7602 66.2186 68.4468 176.9411 23 V 3.4874 7.4336 120.4017 66.1514 31.5229 178.3746 24 V 3.5940 7.8420 117.5279 65.7585 31.1540 178.2135 25 T 3.8380 7.5964 115.5571 66.7480 68.3123 176.7087 26 Q 3.9650 8.1551 119.7730 58.6368 28.6109 178.4949 27 A 3.9513 8.0821 122.1604 54.9643 18.3769 179.7161 28 L 3.5211 8.0239 117.7126 57.9780 41.1900 179.5186 29 D 4.4549 7.9376 118.8242 57.2296 40.6261 178.8730 30 R 3.8022 8.3317 119.7423 59.5736 30.0790 178.2917 31 M 3.9793 8.1006 118.3368 58.6179 32.1252 178.2142 32 F 4.5464 7.9275 117.8482 59.6977 38.7572 177.2521 33 K 4.1206 7.3787 117.4362 58.7216 32.5040 178.4635 34 V 3.4985 7.5389 117.4923 64.4361 32.9739 175.7539 35 Y 3.9437 7.2135 116.0562 53.9601 37.8057 173.9330 36 P 4.4639 0.0000 0.0000 64.9830 31.2803 178.2129 37 W 4.4067 7.9716 115.2575 58.7331 27.7577 177.6213 38 T 4.3186 7.6131 110.5529 63.7999 68.4011 175.9968 39 N 4.0625 8.1848 119.7147 55.6930 38.6015 176.9737 40 R 3.7811 7.6099 118.2163 59.5965 28.9717 178.0858 41 Y 4.1148 6.8732 114.9506 59.1462 38.0295 176.1321 42 F 4.6789 7.6985 117.3429 56.6724 40.3439 176.9863 43 Q 4.0129 7.6438 118.9014 58.3017 28.3947 177.3480 44 K 4.2974 7.7889 115.4848 56.3491 33.2844 176.9087 45 R 4.2805 7.4807 120.5933 54.7787 28.4308 176.0776 46 T 3.9263 8.3973 118.8257 64.1084 67.5727 174.1903 47 D 4.9186 7.9299 118.6489 52.7195 39.8137 175.9051 48 F 4.3493 7.9368 121.8330 58.7546 40.0929 175.0913 49 R 4.2430 7.1091 125.7644 53.5909 33.5888 175.9658 50 S 3.8976 8.3237 122.4316 61.7356 62.7685 176.9810 51 S 4.3636 7.7331 117.6605 60.6880 62.6500 176.5978 52 I 3.6991 7.4122 122.9973 64.5934 37.0045 177.5089 53 H 4.1350 7.9846 118.8100 59.3062 29.6214 177.0625 54 A 4.1021 8.2355 122.7327 55.0986 18.1996 179.8549 55 G 3.6874 7.8784 104.1388 47.9488 0.0000 176.0968 56 I 3.7878 7.5840 122.2733 64.1055 37.0192 178.7064 57 V 3.6244 7.9700 119.4302 66.0534 31.3425 178.3347 58 V 3.9910 8.6453 118.4622 65.7213 31.4061 178.1841 59 G 3.6654 8.1144 105.6261 47.8811 0.0000 175.5858 60 A 4.1309 7.7852 122.6764 54.7285 18.3507 179.7727 61 L 4.1897 8.0235 117.5163 58.0154 41.7327 179.4575 62 Q 3.3887 8.3555 119.7933 59.0301 29.0957 177.8347 63 D 4.3866 8.0962 118.6358 57.0851 41.1223 178.0622 64 A 3.9573 8.2381 121.6389 54.8045 18.0944 179.7533 65 V 3.3487 7.4748 116.3282 65.7852 31.5962 178.1492 66 K 4.0139 7.8164 117.6236 58.4152 32.4699 177.3664 67 H 4.9078 7.9429 116.3069 54.9198 29.2446 175.6513 68 M 4.2343 7.9047 119.2804 57.4857 32.2732 176.4179 69 D 4.6809 7.9575 116.7407 56.6057 42.1109 176.3100 70 D 4.7550 8.1519 118.6884 52.0974 41.9505 175.8653 71 V 3.3424 7.6465 122.6974 65.5697 31.8311 176.4400 72 K 3.7698 7.9453 118.2597 60.0810 32.0957 178.3048 73 T 4.0262 7.9638 115.0642 66.4629 68.2487 176.2055 74 L 3.9960 7.4284 120.7324 58.2334 42.4929 178.3591 75 F 4.6840 8.7188 115.6156 57.5580 38.9615 177.0886 76 K 3.8551 7.8964 121.6100 60.0799 31.9622 178.3316 77 D 4.3534 8.0522 118.3008 57.2113 40.8657 178.3434 78 L 3.9185 7.8188 120.4692 58.0557 42.0966 178.8496 79 S 4.2229 8.6165 113.5634 61.4022 62.4011 176.3476 80 K 3.9064 8.0318 121.1316 58.9571 31.6843 179.3601 81 K 3.8398 7.9509 120.1289 59.9541 32.1195 178.7265 82 H 4.2603 8.2493 116.1742 58.4961 27.6632 177.7766 83 A 3.3185 7.7509 122.6135 54.9955 18.0577 179.3715 84 D 4.3913 8.1923 116.0290 56.7303 41.2200 177.7865 85 D 4.4566 7.6545 117.1792 56.4778 41.5971 177.8484 86 L 4.0272 8.0860 117.3437 55.4375 42.2205 176.5613 87 H 4.2459 7.1048 111.4523 56.6345 26.6082 175.0729 88 V 3.5892 7.8930 118.0958 61.2652 32.6081 174.7079 89 D 4.3612 9.1925 127.8173 53.6985 41.2452 175.2623 90 P 3.1264 0.0000 0.0000 64.9527 31.3429 178.0729 91 G 3.7720 8.2399 106.8967 46.9479 0.0000 174.8072 92 S 4.4899 7.7298 115.9849 59.1245 63.1615 175.9856 93 F 4.4392 7.3842 121.8034 61.0251 38.6729 177.1221 94 H 4.9033 8.2287 114.7648 57.6609 27.9079 177.3717 95 L 3.5470 7.3956 122.2564 57.2050 41.2724 179.0737 96 L 3.9171 7.6910 120.1636 58.2932 42.2943 178.8451 97 T 3.2341 7.4534 109.7797 64.7028 68.4738 176.1301 98 D 4.4341 8.4080 122.0779 57.3279 40.8548 178.3425 99 C 4.2611 7.7343 116.3542 62.3063 28.0918 176.1471 100 I 3.6808 7.6014 121.8959 64.2285 36.6168 178.4131 101 I 3.6580 7.7484 120.8513 64.2766 36.9200 178.6670 102 V 3.5631 7.5596 118.7686 65.9073 31.3185 178.0281 103 E 3.9770 8.0558 118.4634 59.1894 29.2848 179.2296 104 L 3.6156 7.7665 118.9987 57.4420 41.5067 179.4509 105 A 3.4935 7.2974 120.7313 55.0589 18.0880 179.1195 106 Y 4.0438 7.8044 117.0684 60.2040 38.8498 177.6691 107 L 3.8452 7.4997 120.8310 57.9828 42.7284 178.4694 108 R 4.1137 8.2830 116.1317 54.4028 30.4443 178.9534 109 K 3.7150 8.4241 120.0358 57.4132 32.4611 177.6588 110 D 4.6285 8.9516 128.4369 56.0497 39.3627 176.5827 111 C 4.3314 8.5442 117.6621 61.4988 28.6334 174.2726 112 F 4.5643 7.6419 123.6735 57.0444 37.4674 175.5708 113 T 4.2410 7.5091 115.7208 60.0723 71.4121 173.4603 114 P 4.2591 0.0000 0.0000 66.2938 31.0650 178.4638 115 H 4.1759 8.0490 115.5360 59.2585 30.3156 176.9722 116 I 3.7577 7.4452 121.3067 64.2818 36.8366 178.1489 117 Q 3.8292 8.1765 120.9975 59.0075 28.8173 178.6382 118 G 3.6656 7.9649 106.7878 47.5613 0.0000 175.8764 119 I 3.7284 7.4892 121.6188 64.2585 37.0960 178.6098 120 W 4.0360 8.1750 119.2797 59.5621 29.0820 177.9533 121 D 4.6088 8.8467 118.6505 57.4482 40.7372 178.3273 122 K 4.0307 8.3443 120.1655 59.2369 32.1680 178.6278 123 F 4.6968 8.4976 121.0849 61.6539 39.3321 177.2432 124 F 4.5111 8.5010 117.0305 59.8760 38.6663 177.4635 125 E 3.9875 8.1770 119.5071 59.2764 29.5136 178.8684 126 V 3.5810 7.8466 118.3848 65.8863 31.5251 178.2354 127 V 3.3829 7.7279 118.0513 65.9868 31.2553 178.1636 128 I 3.6432 8.0843 119.8959 64.3094 36.5050 177.9557 129 D 4.3220 8.2925 118.8058 57.1847 40.8187 178.2142 130 A 4.0577 7.8043 120.5244 55.0748 18.5458 179.0020 131 I 3.9209 7.9069 114.8206 62.6952 38.3081 176.9314 132 S 4.8763 7.7418 114.6579 58.7156 63.2336 175.6152 133 K 3.9087 7.5975 122.1302 59.8276 31.9025 177.3998 134 Q 4.1832 8.1055 114.0305 56.2607 28.4312 175.4966 135 Y 4.1110 7.7817 117.6615 57.8521 37.6560 175.4533 136 H 4.6316 8.5726 121.3986 55.9070 29.4900 173.9270 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 3.72 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 0.34 0.00 0.00 0.81 0.00 0.00 2 H 8.29 4.63 0.00 3.17 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.49 4.87 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.61 4.24 4.27 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 1.33 0.00 0.00 5 Q 8.52 4.03 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 6 E 8.16 3.95 0.00 2.09 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 2.32 2.37 0.00 7 E 8.11 3.91 0.00 2.30 2.14 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 2.43 2.46 0.00 8 R 7.76 3.60 0.00 1.79 1.85 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.00 0.00 9 D 7.69 4.32 0.00 2.63 2.67 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 0.00 0.00 0.00 10 E 7.85 3.88 0.00 2.12 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 2.21 2.13 0.00 11 I 7.32 3.10 1.14 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.27 -0.18 0.00 0.00 12 S 7.70 4.08 0.00 3.99 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 13 K 8.53 4.06 0.00 2.15 1.93 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.54 7.81 14 T 7.72 4.26 4.76 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 1.15 0.00 0.00 15 F 8.18 4.10 0.00 3.05 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 16 Q 7.88 4.43 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.22 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 G 9.01 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 0.00 0.00 0.00 18 T 7.87 4.65 4.16 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 1.12 0.00 0.00 19 D 8.22 4.83 0.00 2.72 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 20 M 7.98 4.01 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.21 0.00 21 K 7.97 4.09 0.00 1.85 1.86 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.62 7.81 22 T 7.93 3.95 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 1.19 0.00 0.00 23 V 7.43 3.49 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 0.92 0.00 0.00 0.86 0.00 0.00 24 V 7.84 3.59 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 1.08 0.00 0.00 1.02 0.00 0.00 25 T 7.60 3.84 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 1.20 0.00 0.00 26 Q 8.16 3.96 0.00 2.19 2.20 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 2.34 2.47 0.00 27 A 8.08 3.95 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 28 L 8.02 3.52 0.00 1.83 1.43 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.94 4.45 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.33 3.80 0.00 1.78 2.01 0.00 3.01 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 31 M 8.10 3.98 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 32 F 7.93 4.55 0.00 3.23 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 33 K 7.38 4.12 0.00 1.74 1.73 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 34 V 7.54 3.50 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 0.05 0.00 0.00 0.74 0.00 0.00 35 Y 7.21 3.94 0.00 2.53 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 4.46 0.00 2.34 2.36 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 2.26 1.96 0.00 37 W 7.97 4.41 0.00 3.56 3.53 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 0.00 0.00 0.00 38 T 7.61 4.32 4.52 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 1.04 0.00 0.00 39 N 8.18 4.06 0.00 2.86 2.77 0.00 0.00 6.58 8.06 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 40 R 7.61 3.78 0.00 1.75 2.12 0.00 2.53 0.00 0.00 2.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.77 0.00 41 Y 6.87 4.11 0.00 1.89 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 42 F 7.70 4.68 0.00 2.56 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 0.00 0.00 0.00 0.00 43 Q 7.64 4.01 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 44 K 7.79 4.30 0.00 1.73 1.87 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 R 7.48 4.28 0.00 1.87 2.07 0.00 3.55 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.70 0.00 46 T 8.40 3.93 4.27 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 1.25 0.00 0.00 47 D 7.93 4.92 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.35 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.11 4.24 0.00 1.69 1.49 0.00 3.15 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 50 S 8.32 3.90 0.00 3.85 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 51 S 7.73 4.36 0.00 4.00 4.06 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 0.00 0.00 0.00 0.00 52 I 7.41 3.70 1.87 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 1.49 0.77 0.90 0.00 0.00 53 H 7.98 4.13 0.00 3.36 3.46 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 54 A 8.24 4.10 1.44 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 0.00 0.00 55 G 7.88 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 56 I 7.58 3.79 2.02 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 1.42 1.05 0.91 0.00 0.00 57 V 7.97 3.62 2.24 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 1.08 0.00 0.00 0.94 0.00 0.00 58 V 8.65 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 1.30 0.00 0.00 1.12 0.00 0.00 59 G 8.11 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.79 4.13 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 61 L 8.02 4.19 0.00 2.15 2.08 1.46 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.36 3.39 0.00 2.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 63 D 8.10 4.39 0.00 3.08 2.89 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 0.00 0.00 0.00 64 A 8.24 3.96 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 65 V 7.47 3.35 1.81 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 0.49 0.00 0.00 0.33 0.00 0.00 66 K 7.82 4.01 0.00 1.87 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.48 7.81 67 H 7.94 4.91 0.00 3.21 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 7.90 4.23 0.00 1.52 1.95 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.52 0.00 69 D 7.96 4.68 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.76 0.00 2.71 2.49 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 71 V 7.65 3.34 1.84 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 -0.11 0.00 0.00 0.87 0.00 0.00 72 K 7.95 3.77 0.00 1.76 1.84 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 73 T 7.96 4.03 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 1.22 0.00 0.00 74 L 7.43 4.00 0.00 1.53 1.86 0.85 1.33 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 75 F 8.72 4.68 0.00 3.05 2.99 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 76 K 7.90 3.86 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.62 7.81 77 D 8.05 4.35 0.00 2.81 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 78 L 7.82 3.92 0.00 1.52 1.50 0.86 -0.00 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 79 S 8.62 4.22 0.00 4.12 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 80 K 8.03 3.91 0.00 2.00 1.80 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.57 7.81 81 K 7.95 3.84 0.00 2.03 1.73 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 82 H 8.25 4.26 0.00 3.61 3.71 0.00 5.86 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 83 A 7.75 3.32 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.19 4.39 0.00 2.64 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 85 D 7.65 4.46 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 86 L 8.09 4.03 0.00 1.47 1.58 0.66 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.10 4.25 0.00 3.35 3.40 0.00 5.66 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.89 3.59 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 0.11 0.00 0.00 0.40 0.00 0.00 89 D 9.19 4.36 0.00 2.80 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 90 P 0.00 3.13 0.00 1.91 1.11 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.17 0.00 91 G 8.24 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 92 S 7.73 4.49 0.00 3.88 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 93 F 7.38 4.44 0.00 3.14 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 94 H 8.23 4.90 0.00 3.45 3.63 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.40 3.55 0.00 1.60 1.14 0.82 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.69 3.92 0.00 1.73 1.80 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.45 3.23 3.45 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 0.91 0.00 0.00 98 D 8.41 4.43 0.00 2.80 2.85 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 99 C 7.73 4.26 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.60 3.68 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.98 0.00 0.00 101 I 7.75 3.66 2.15 0.00 0.00 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 1.86 1.10 1.15 0.00 0.00 102 V 7.56 3.56 2.17 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 0.97 0.00 0.00 1.00 0.00 0.00 103 E 8.06 3.98 0.00 2.08 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 2.42 2.63 0.00 104 L 7.77 3.62 0.00 1.08 0.71 -0.35 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.30 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.80 4.04 0.00 2.96 3.13 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 0.00 107 L 7.50 3.85 0.00 1.63 1.71 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.28 4.11 0.00 2.02 2.03 0.00 3.32 0.00 0.00 3.37 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 109 K 8.42 3.71 0.00 1.85 0.80 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.37 7.81 110 D 8.95 4.63 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.54 4.33 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 0.00 112 F 7.64 4.56 0.00 2.87 3.04 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 0.00 113 T 7.51 4.24 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 1.32 0.00 0.00 114 P 0.00 4.26 0.00 2.19 2.18 0.00 3.60 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 2.13 2.18 0.00 115 H 8.05 4.18 0.00 3.13 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.45 3.76 1.85 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 1.42 1.19 0.87 0.00 0.00 117 Q 8.18 3.83 0.00 1.63 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 118 G 7.96 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.49 3.73 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.55 0.00 0.00 120 W 8.18 4.04 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.85 4.61 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.34 4.03 0.00 1.88 2.08 0.00 1.52 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.14 1.22 7.81 123 F 8.50 4.70 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.50 4.51 0.00 3.35 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 0.00 125 E 8.18 3.99 0.00 2.40 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 0.00 2.33 2.36 0.00 126 V 7.85 3.58 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 0.98 0.00 0.00 0.94 0.00 0.00 127 V 7.73 3.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.28 0.00 0.00 128 I 8.08 3.64 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 1.03 0.00 0.00 129 D 8.29 4.32 0.00 2.80 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 0.00 130 A 7.80 4.06 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 0.00 131 I 7.91 3.92 1.79 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 -0.07 0.00 0.00 132 S 7.74 4.88 0.00 3.91 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 0.00 133 K 7.60 3.91 0.00 1.99 1.93 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 134 Q 8.11 4.18 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 135 Y 7.78 4.11 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.57 4.63 0.00 3.13 3.16 0.00 5.73 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