NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4486 8.3349 115.4130 57.9523 64.2285 173.7989 2 K 3.9855 7.7419 119.3470 57.3318 33.0722 176.2260 3 T 4.2190 8.4372 117.8551 65.1393 70.7682 175.3639 4 N 4.4151 7.9581 120.3514 52.9481 39.8140 173.6772 5 P 4.3037 0.0000 0.0000 65.4490 31.4995 179.0438 6 R 3.8898 8.4018 117.1912 59.2172 30.1026 178.6880 7 L 4.0344 8.0874 119.8885 57.9576 42.0058 178.9848 8 S 4.0618 8.1525 114.1724 61.6544 62.9401 176.4990 9 S 4.0619 8.0356 119.5952 60.8583 62.6175 176.1994 10 L 3.8605 8.2574 123.1683 58.4751 41.7063 178.9203 11 I 3.6175 7.7114 119.0462 64.5974 37.1380 178.1396 12 A 3.9921 8.1356 121.3232 55.3314 18.1248 179.5235 13 D 4.2321 8.3510 117.6186 57.4611 40.9467 178.6649 14 L 3.8279 8.3320 119.8040 58.0215 41.5498 179.6710 15 K 3.9604 8.3002 118.1390 59.4202 31.9783 179.0483 16 S 4.0321 8.2209 112.9356 61.7384 62.2473 176.6144 17 A 3.9856 8.1570 122.8340 55.1563 17.9852 179.2382 18 A 4.2133 7.8570 118.0419 55.6635 18.4707 179.8611 19 R 4.0978 8.0750 115.4146 60.1832 30.3704 178.5662 20 S 4.2515 8.3798 114.7657 60.1242 62.9202 175.6801 21 S 4.4173 8.0660 117.3523 58.9257 63.7591 174.4604 22 G 4.0470 8.1072 108.1658 45.9267 0.0000 174.6826 23 G 3.7042 7.5939 108.4241 44.6648 0.0000 174.3459 24 A 4.5964 7.9772 121.9101 52.2542 21.6350 179.2679 25 V 3.5070 7.4908 109.2040 64.2364 31.4925 178.2511 26 W 5.0230 7.7608 118.2754 60.2609 29.1319 178.5848 27 G 3.9042 8.3439 104.8511 47.7756 0.0000 174.9861 28 D 4.2952 8.0757 120.1655 57.2738 41.2584 178.3075 29 V 3.5969 8.6100 119.0099 66.1165 31.5565 177.5199 30 A 3.9951 8.5145 120.7436 55.5676 17.9235 179.5087 31 E 3.9506 7.7993 115.3438 59.5497 29.8733 179.2914 32 R 4.0607 7.8808 118.3834 59.2423 29.9179 178.5389 33 L 3.7872 8.0344 118.4301 57.3968 41.6709 178.8291 34 E 4.1790 8.0076 117.4050 57.4984 29.6243 177.4732 35 K 4.3298 7.0293 117.6501 54.6485 33.2664 174.8361 36 P 4.2712 0.0000 0.0000 63.0273 32.0550 177.7814 37 R 3.4662 8.6745 120.4692 59.2601 30.1658 179.3242 38 R 3.9303 7.9126 113.1255 58.9265 29.4017 177.4736 39 T 4.1809 7.6500 107.0332 62.7531 69.3878 174.6842 40 H 4.3715 7.8584 119.4182 55.7087 29.4686 174.3184 41 A 4.3352 8.3010 122.6370 51.7784 19.9604 176.5206 42 E 4.8525 8.7809 121.3967 54.1560 30.6065 174.3562 43 V 4.4179 8.5389 123.5544 61.0294 34.3676 174.1652 44 N 5.4061 8.4239 123.5561 51.1196 40.8385 175.8366 45 L 4.0834 8.8346 121.0724 58.2806 41.5114 179.9250 46 G 3.8113 7.9848 104.9669 48.1432 0.0000 175.6196 47 R 3.9988 8.0720 120.6775 59.1884 30.3059 178.5678 48 I 3.8154 7.7874 119.2234 64.3559 36.8842 177.8585 49 E 3.9504 8.1555 119.5136 59.2525 29.5477 178.5933 50 R 3.8458 7.4941 118.0362 58.4154 30.1121 176.4628 51 Y 4.6770 7.5031 112.1231 57.3408 39.1438 175.2342 52 A 4.6150 7.7725 123.5714 51.3885 20.3720 176.8639 53 Q 4.6331 8.1046 115.2193 54.6672 31.2254 174.2159 54 E 4.0508 8.7468 120.0170 58.0709 30.0010 176.2969 55 D 4.3707 8.8365 118.2565 55.0791 38.4551 173.6634 56 E 4.6597 7.7720 118.2363 54.4609 31.8621 175.0452 57 T 4.1063 8.4195 124.9117 64.0944 69.9595 173.7616 58 V 4.4012 9.2019 127.7832 62.3194 32.7812 174.8359 59 V 4.7841 8.6952 129.5113 61.4758 33.2259 174.5564 60 V 5.0001 9.0459 129.6859 59.1486 33.0795 174.6814 61 P 4.6228 0.0000 0.0000 61.2134 30.4442 176.2617 62 G 3.9984 7.4113 117.8761 47.3843 0.0000 175.9953 63 K 5.0351 9.8302 128.1017 54.1461 35.5593 173.5902 64 V 4.6819 8.3119 126.7460 61.5466 33.5263 174.7801 65 L 4.9606 9.5974 128.2648 52.6022 45.0988 176.1872 66 G 4.3163 8.4540 105.7661 46.9040 0.0000 173.6302 67 S 4.5639 8.1709 117.5018 58.5354 64.5572 175.2682 68 G 4.2211 9.1629 110.3027 44.5480 0.0000 172.1363 69 V 4.4190 7.8599 116.6672 60.6312 34.1611 174.4938 70 L 4.9015 8.4612 126.9717 53.4858 44.1279 175.6760 71 Q 4.5141 10.4926 124.8310 56.5786 30.8861 176.8545 72 K 4.0276 8.1784 116.7985 56.7916 32.9901 177.2185 73 D 5.4744 8.3994 124.0060 52.8848 39.5805 174.9086 74 V 4.7267 7.6790 115.1484 59.5059 35.8942 174.8454 75 T 4.9098 8.3303 119.1761 62.3841 70.4613 173.7511 76 V 4.9441 9.0886 126.8915 61.0977 34.1925 173.8837 77 A 5.9400 9.7011 130.0510 49.7093 21.4605 175.1926 78 A 5.0181 8.3069 122.7566 49.5223 22.9589 176.7342 79 V 3.6007 8.3530 118.6610 66.2103 32.0155 175.7089 80 D 4.6807 7.2640 116.5414 53.4689 44.4168 174.2783 81 F 5.4461 8.8428 120.8643 55.3567 42.6918 175.2607 82 S 4.2940 9.1691 117.2854 58.0759 63.8840 175.2669 83 G 3.9329 9.1229 108.9163 48.9068 0.0000 176.0619 84 T 3.9181 7.9425 117.1108 66.0810 68.5110 176.4140 85 A 3.9908 8.0487 122.7490 55.3516 18.5565 179.0241 86 E 3.6700 8.3170 117.4458 59.8211 29.2993 179.5302 87 T 3.8208 7.4335 114.7306 66.6749 68.4692 176.7413 88 K 4.1215 8.4678 120.7840 59.3360 32.0123 179.6315 89 I 3.7437 8.2178 120.5017 64.5226 36.9951 178.0198 90 D 4.9653 7.5629 118.3079 55.8227 40.6172 178.3041 91 Q 4.2186 7.6141 118.2784 57.7934 29.1334 176.9351 92 V 4.4930 7.2905 109.6487 60.5205 34.1943 174.4410 93 G 4.5146 7.8707 109.2844 45.4759 0.0000 172.7797 94 E 5.0860 8.9557 123.7886 54.4853 33.3701 174.5806 95 A 4.9106 8.9644 129.3307 50.5380 20.2188 176.3707 96 V 4.6137 9.4414 123.4499 60.9447 35.6948 174.8248 97 S 5.0974 8.4963 118.9874 57.2013 64.5930 175.0276 98 L 3.9284 8.3567 122.8578 58.3932 41.1095 179.9040 99 E 3.8462 7.4363 117.1779 59.1801 29.5133 179.3159 100 Q 4.0792 8.4164 118.2888 58.7660 29.0589 177.9071 101 A 4.0653 7.9886 121.2179 55.6134 18.1143 179.5961 102 I 3.3525 7.5394 117.1295 63.6802 37.0155 177.6794 103 E 4.2210 8.0424 119.7767 58.7268 29.9128 177.6935 104 N 4.5812 8.0973 114.9934 54.9384 40.2793 174.8477 105 N 5.1865 8.8639 117.8593 51.0422 38.9242 172.9429 106 P 4.8415 0.0000 0.0000 66.0869 31.7807 177.8315 107 E 4.0990 8.4489 115.7179 56.1823 30.2119 176.3511 108 G 3.2844 8.2848 108.1223 46.4330 0.0000 172.6892 109 S 4.5702 8.2408 111.0638 57.2742 66.6643 174.4317 110 H 3.9996 8.4171 116.1723 56.5079 25.5995 174.0013 111 V 4.7506 7.1570 116.6612 59.9878 35.2301 176.0049 112 R 4.4763 9.0343 124.6835 54.2900 32.1545 174.8767 113 V 4.3389 8.4038 127.5489 63.0699 32.2785 175.1779 114 I 4.7915 8.9993 128.7512 59.4121 41.0488 176.0034 115 R 4.1633 8.3670 121.6804 56.5096 29.3753 174.7339 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 S 8.33 4.45 0.00 3.99 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 2 K 7.74 3.99 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.44 4.22 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 4 N 7.96 4.42 0.00 2.75 2.71 0.00 0.00 7.24 7.71 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.40 3.89 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 7 L 8.09 4.03 0.00 1.75 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.15 4.06 0.00 4.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.04 4.06 0.00 4.04 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 10 L 8.26 3.86 0.00 1.72 1.91 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.71 3.62 2.04 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 0.62 0.91 0.00 0.00 12 A 8.14 3.99 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 13 D 8.35 4.23 0.00 2.78 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 14 L 8.33 3.83 0.00 1.81 1.76 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.30 3.96 0.00 1.99 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.22 4.03 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 17 A 8.16 3.99 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 18 A 7.86 4.21 1.51 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 0.00 0.00 19 R 8.07 4.10 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 20 S 8.38 4.25 0.00 3.89 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 21 S 8.07 4.42 0.00 4.21 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 22 G 8.11 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 0.00 0.00 0.00 23 G 7.59 3.70 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 0.00 0.00 0.00 24 A 7.98 4.60 1.20 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 0.00 0.00 25 V 7.49 3.51 1.75 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 0.64 0.00 0.00 -0.31 0.00 0.00 26 W 7.76 5.02 0.00 3.33 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 27 G 8.34 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 28 D 8.08 4.30 0.00 3.04 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 29 V 8.61 3.60 2.42 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 1.09 0.00 0.00 1.18 0.00 0.00 30 A 8.51 4.00 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 31 E 7.80 3.95 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 32 R 7.88 4.06 0.00 1.95 2.04 0.00 3.33 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 8.03 3.79 0.00 1.75 1.67 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.18 0.00 2.20 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 2.35 2.35 0.00 35 K 7.03 4.33 0.00 2.02 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.27 0.00 2.15 1.98 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 37 R 8.67 3.47 0.00 1.78 1.90 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 38 R 7.91 3.93 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.65 4.18 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 1.21 0.00 0.00 40 H 7.86 4.37 0.00 3.26 3.26 0.00 5.66 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 41 A 8.30 4.34 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 42 E 8.78 4.85 0.00 1.81 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 2.19 2.26 0.00 43 V 8.54 4.42 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 1.00 0.00 0.00 0.93 0.00 0.00 44 N 8.42 5.41 0.00 2.70 2.98 0.00 0.00 7.60 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.83 4.08 0.00 1.82 1.77 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.98 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 0.00 0.00 0.00 47 R 8.07 4.00 0.00 1.99 2.00 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 48 I 7.79 3.82 2.03 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 1.59 1.02 0.97 0.00 0.00 49 E 8.16 3.95 0.00 1.99 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 0.00 2.41 2.31 0.00 50 R 7.49 3.85 0.00 1.64 1.58 0.00 2.49 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 51 Y 7.50 4.68 0.00 2.95 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 52 A 7.77 4.61 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 53 Q 8.10 4.63 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 54 E 8.75 4.05 0.00 1.98 1.96 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 2.53 2.37 0.00 55 D 8.84 4.37 0.00 2.82 2.72 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 56 E 7.77 4.66 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 57 T 8.42 4.11 4.32 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 1.33 0.00 0.00 58 V 9.20 4.40 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 0.79 0.00 0.00 0.99 0.00 0.00 59 V 8.70 4.78 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 1.14 0.00 0.00 1.19 0.00 0.00 60 V 9.05 5.00 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 1.20 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.62 0.00 2.09 2.12 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 62 G 7.41 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 63 K 9.83 5.04 0.00 1.69 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.31 4.68 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 1.13 0.00 0.00 0.66 0.00 0.00 65 L 9.60 4.96 0.00 1.74 1.53 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.45 4.32 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 0.00 67 S 8.17 4.56 0.00 3.95 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 68 G 9.16 4.22 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 0.00 69 V 7.86 4.42 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.46 4.90 0.00 1.59 1.51 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.49 4.51 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.18 4.03 0.00 1.75 1.76 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.40 5.47 0.00 2.83 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 74 V 7.68 4.73 2.12 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 0.80 0.00 0.00 0.97 0.00 0.00 75 T 8.33 4.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 76 V 9.09 4.94 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 1.19 0.00 0.00 1.03 0.00 0.00 77 A 9.70 5.94 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 78 A 8.31 5.02 0.53 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 0.00 0.00 79 V 8.35 3.60 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.26 4.68 0.00 2.78 2.38 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 81 F 8.84 5.45 0.00 2.84 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 82 S 9.17 4.29 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 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 84 T 7.94 3.92 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 1.23 0.00 0.00 85 A 8.05 3.99 1.54 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 86 E 8.32 3.67 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 2.18 2.05 0.00 87 T 7.43 3.82 4.40 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 1.20 0.00 0.00 88 K 8.47 4.12 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 89 I 8.22 3.74 1.79 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 0.89 0.00 0.00 90 D 7.56 4.97 0.00 2.62 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 91 Q 7.61 4.22 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.76 0.00 92 V 7.29 4.49 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 0.80 0.00 0.00 0.94 0.00 0.00 93 G 7.87 4.51 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 0.00 0.00 0.00 94 E 8.96 5.09 0.00 2.02 1.73 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 2.15 2.22 0.00 95 A 8.96 4.91 0.53 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 0.00 0.00 96 V 9.44 4.61 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 1.08 0.00 0.00 0.95 0.00 0.00 97 S 8.50 5.10 0.00 4.09 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 98 L 8.36 3.93 0.00 1.72 1.61 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.44 3.85 0.00 1.78 1.96 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 2.30 2.32 0.00 100 Q 8.42 4.08 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.99 4.07 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 0.00 102 I 7.54 3.35 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.14 0.62 0.00 0.00 103 E 8.04 4.22 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 104 N 8.10 4.58 0.00 2.79 2.91 0.00 0.00 6.58 8.00 0.00 0.00 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 N 8.86 5.19 0.00 2.75 3.07 0.00 0.00 6.86 7.57 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 0.00 106 P 0.00 4.84 0.00 2.31 2.27 0.00 3.99 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 107 E 8.45 4.10 0.00 2.00 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 2.32 2.37 0.00 108 G 8.28 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 0.00 0.00 0.00 109 S 8.24 4.57 0.00 3.91 3.75 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 0.00 110 H 8.42 4.00 0.00 3.32 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.16 4.75 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 0.48 0.00 0.00 0.94 0.00 0.00 112 R 9.03 4.48 0.00 2.03 1.84 0.00 3.14 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.40 4.34 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 0.82 0.00 0.00 0.90 0.00 0.00 114 I 9.00 4.79 1.90 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 1.52 1.73 0.96 0.00 0.00 115 R 8.37 4.16 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00