NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4593 8.1627 120.6037 55.4393 33.9969 173.6375 2 V 4.7496 8.3172 124.2245 60.6935 34.7784 173.0833 3 R 4.6828 9.4556 126.1053 54.3296 33.9511 174.6078 4 G 4.2803 8.8941 110.9043 45.8110 0.0000 172.8040 5 I 4.8408 8.9367 123.4917 59.3446 40.4921 174.9114 6 R 5.0756 9.0667 125.3044 54.8827 32.8193 175.4110 7 G 4.3856 8.6478 107.6193 45.1505 0.0000 171.3732 8 A 5.0542 8.2629 121.1659 50.7963 23.0864 175.3101 9 I 4.9956 8.5692 120.5133 60.0349 41.9670 173.6949 10 T 5.5905 8.3764 116.8699 59.4360 71.4645 173.6407 11 V 4.5550 8.0368 114.4888 59.7066 34.3723 176.2219 12 E 4.1839 8.9918 123.0169 58.4126 29.9039 176.8928 13 E 4.7285 7.6596 116.1444 54.6136 33.5295 175.3319 14 D 4.6787 8.4396 122.2978 53.1766 40.0456 175.7722 15 T 4.8302 7.5622 112.9224 57.9573 73.5879 172.8980 16 P 4.6528 0.0000 0.0000 65.2439 31.4547 178.8903 17 E 3.9651 8.2115 116.7048 59.4476 29.5053 179.0981 18 A 4.0288 8.0127 120.7091 55.2845 18.4374 179.7812 19 I 3.6690 7.8678 118.3690 64.5402 37.1485 178.1498 20 H 4.0633 8.5774 119.4314 59.3496 29.7566 177.0632 21 Q 3.9522 8.2532 121.0651 59.1221 28.8587 178.1178 22 A 3.9700 8.0266 121.6994 55.4921 18.3630 179.7029 23 T 3.7883 7.9591 114.2537 66.6991 68.4447 176.8022 24 R 3.8109 7.9533 120.5039 59.3870 30.1279 178.0391 25 E 3.8887 8.2657 119.1202 59.2019 29.5487 178.5866 26 L 3.9003 8.0580 120.2374 58.1103 42.2111 178.7946 27 L 3.9520 8.1247 119.1169 57.9338 41.5193 179.5708 28 L 4.0138 8.1001 118.8671 57.8705 41.5705 179.8564 29 K 3.9828 8.1402 118.3992 59.5455 31.7503 179.4137 30 M 4.0799 8.2411 119.3050 58.1750 31.8324 178.8498 31 L 3.8651 7.8082 119.1712 57.6227 41.8472 179.1029 32 E 3.8555 8.3802 119.2620 59.3201 29.4085 178.7411 33 A 4.0809 8.3040 119.7344 54.3198 18.3838 178.3207 34 N 4.8329 7.3890 111.2002 51.8195 39.0596 174.8893 35 G 3.9969 7.7480 107.7810 46.3354 0.0000 174.2013 36 I 3.9002 7.4755 120.6763 60.9073 37.3213 176.5616 37 Q 4.1882 8.8441 124.8731 57.5361 29.6260 176.1610 38 S 4.4894 7.9954 110.7524 56.3307 65.7157 174.3037 39 Y 4.5294 8.1178 122.8193 60.6785 37.9112 177.8752 40 E 4.1218 8.0977 118.7685 58.6277 29.7661 177.8413 41 E 4.2782 8.2414 117.7858 57.7353 29.9838 176.1533 42 L 4.8793 7.9964 120.0085 53.5254 42.4337 176.4805 43 A 4.2686 9.3152 127.0401 54.6877 18.9497 176.9079 44 A 4.4364 7.3717 114.1825 51.6956 22.8504 175.4258 45 V 4.5884 8.3263 118.5358 61.2680 35.0108 174.1426 46 I 4.8828 8.4775 128.3450 59.5163 39.9818 174.6425 47 F 5.5538 9.5084 125.0473 55.8938 42.4842 174.5228 48 T 5.7318 8.7941 110.6505 58.9435 72.3130 172.8435 49 V 4.8969 8.1560 122.7851 61.1823 35.1658 174.8904 50 T 4.5961 8.3187 118.0746 61.1649 69.7731 175.5375 51 E 4.0411 8.8678 120.8164 58.6154 29.7139 177.1659 52 D 4.6566 8.0175 118.7181 53.1730 39.9096 175.1650 53 L 4.8202 7.5423 119.8242 53.6760 43.1388 175.2798 54 T 3.9707 8.5059 120.2118 64.4868 70.2868 175.9129 55 F 3.9466 7.3705 121.5017 55.8322 37.8715 173.2545 56 A 4.3683 7.1130 123.5920 50.4143 20.9319 178.1410 57 F 5.0261 8.0440 122.9925 55.2598 39.7124 174.5322 58 P 3.9634 0.0000 0.0000 65.9298 31.1593 178.2604 59 A 3.9761 7.7155 119.8302 55.0924 18.2932 179.2633 60 E 3.9695 8.4036 116.7965 59.1839 29.2261 179.4239 61 A 3.8246 7.7994 120.7028 54.9151 18.3312 179.5275 62 A 3.8859 7.8460 118.9098 55.1768 18.4584 179.6923 63 R 3.6115 8.0957 117.3197 59.5195 29.9462 178.4475 64 Q 4.0131 8.0285 118.6480 58.7272 29.0507 176.8545 65 I 4.1392 7.2101 110.8631 60.8042 37.7905 176.3016 66 G 4.0657 8.2717 108.8187 46.3404 0.0000 173.5644 67 M 4.0763 7.8661 118.7724 55.2727 32.3326 178.5659 68 H 4.1086 8.2845 117.9910 59.0888 28.9971 176.8823 69 R 4.2967 7.9121 114.4926 56.1285 30.3527 176.0233 70 V 4.0594 7.3710 119.8078 60.5858 32.2008 173.6986 71 P 4.4829 0.0000 0.0000 63.0196 32.1426 175.2301 72 L 5.8097 8.4845 122.7330 52.0310 45.3931 175.5444 73 L 4.9582 8.3753 122.4290 53.5658 46.0100 174.6619 74 S 5.3856 8.8508 119.0555 56.6532 65.5285 172.8914 75 A 4.8763 9.0275 125.4472 49.4814 22.8932 174.7684 76 R 4.4705 8.4574 120.0863 56.0138 30.7000 176.0187 77 E 4.1334 8.7672 128.2976 55.6479 30.5820 176.5479 78 V 3.5418 8.5231 125.8495 63.0357 32.0616 175.3895 79 P 4.5582 0.0000 0.0000 61.8998 29.8504 175.5016 80 V 3.7180 7.4584 122.5777 62.4416 32.5145 173.4891 81 P 4.3793 0.0000 0.0000 64.0482 31.6125 176.8929 82 G 3.8978 8.8482 109.5425 45.6977 0.0000 173.7446 83 S 4.3520 7.5928 113.9061 56.8233 63.9015 173.7107 84 L 3.8645 8.4532 122.4874 55.1152 41.8549 175.0706 85 P 4.5678 0.0000 0.0000 63.1334 33.1501 175.8941 86 R 3.8359 8.9528 116.5379 56.3767 27.7963 175.5364 87 V 4.8592 8.0445 117.7897 61.0236 35.2725 174.8996 88 I 4.6982 8.6650 128.1664 59.7260 39.5418 174.8244 89 R 5.0753 8.9445 126.0342 54.3626 33.5754 175.2436 90 V 4.7430 8.5899 121.1577 61.0616 35.4785 174.3450 91 L 5.0645 8.8762 128.2404 53.3493 44.6581 174.3411 92 A 4.7635 8.8788 129.2601 50.5023 21.0681 175.6859 93 L 4.7853 8.9187 123.8361 53.3850 43.3007 175.4391 94 W 5.3572 9.2534 135.0000 55.6487 32.8260 174.7024 95 N 5.0811 9.1844 125.8171 53.7093 37.9992 174.2708 96 T 4.0738 7.9083 117.0137 61.1381 70.7190 172.7266 97 D 4.6583 8.1578 122.8715 52.9496 39.8893 176.6286 98 T 3.7807 7.0098 117.2595 63.2786 68.9039 172.5189 99 P 4.3335 0.0000 0.0000 62.4773 32.0080 176.9767 100 Q 3.9670 8.8786 122.8114 59.4366 28.9498 178.0614 101 D 4.6187 8.0649 114.0336 54.6466 39.7360 176.5615 102 R 4.4333 7.8361 118.3083 56.2368 31.1494 176.7433 103 V 3.9696 7.4241 118.6553 62.6785 32.0143 175.2162 104 R 4.4594 9.4600 126.8760 55.1321 30.8778 175.3815 105 H 5.0084 8.6390 120.4379 54.4085 30.8107 174.6944 106 V 4.4493 8.5387 122.5625 61.3738 33.7318 173.7597 107 Y 4.9412 8.8714 125.2829 56.2949 40.3188 174.9901 108 L 4.8049 8.8374 124.2048 52.3881 45.5546 178.8249 109 R 3.5369 8.7100 119.5632 57.6647 29.1645 180.0795 110 E 4.1417 9.1483 125.0845 59.4425 29.1235 177.9238 111 A 4.2833 8.1091 120.9855 54.2076 17.8741 179.6647 112 V 3.7211 7.7223 111.2486 64.1313 31.3371 178.3827 113 R 4.0967 7.8124 116.6557 58.3365 29.9352 178.4245 114 L 4.1148 7.9476 118.8034 55.9183 42.0220 177.2950 115 R 4.3991 6.7517 116.5308 53.4783 31.8213 174.4856 116 P 4.3763 0.0000 0.0000 63.0581 31.5224 176.0661 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 8.16 4.46 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 V 8.32 4.75 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 0.94 0.00 0.00 0.96 0.00 0.00 3 R 9.46 4.68 0.00 1.70 1.86 0.00 3.34 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.69 0.00 4 G 8.89 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 0.00 0.00 0.00 0.00 5 I 8.94 4.84 1.84 0.00 0.00 0.48 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 0.96 0.85 0.00 0.00 6 R 9.07 5.08 0.00 1.81 1.86 0.00 3.33 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 7 G 8.65 4.39 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 0.00 8 A 8.26 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.57 5.00 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.43 0.94 0.00 0.00 10 T 8.38 5.59 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 1.25 0.00 0.00 11 V 8.04 4.56 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 0.80 0.00 0.00 1.02 0.00 0.00 12 E 8.99 4.18 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 13 E 7.66 4.73 0.00 1.89 1.79 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 2.21 2.28 0.00 14 D 8.44 4.68 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.56 4.83 4.43 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 1.24 0.00 0.00 16 P 0.00 4.65 0.00 2.30 2.47 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 17 E 8.21 3.97 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 18 A 8.01 4.03 1.40 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 19 I 7.87 3.67 2.01 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 1.37 0.79 0.84 0.00 0.00 20 H 8.58 4.06 0.00 3.39 3.51 0.00 5.79 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 21 Q 8.25 3.95 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 22 A 8.03 3.97 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 23 T 7.96 3.79 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 1.10 0.00 0.00 24 R 7.95 3.81 0.00 1.86 2.04 0.00 3.11 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 25 E 8.27 3.89 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 26 L 8.06 3.90 0.00 1.78 1.80 0.90 0.47 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 27 L 8.12 3.95 0.00 1.87 1.70 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.10 4.01 0.00 1.82 1.72 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.14 3.98 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 30 M 8.24 4.08 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 31 L 7.81 3.87 0.00 1.86 1.66 1.10 0.81 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 32 E 8.38 3.86 0.00 2.07 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 0.00 2.29 2.31 0.00 33 A 8.30 4.08 1.28 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 34 N 7.39 4.83 0.00 2.23 2.18 0.00 0.00 7.02 7.53 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 35 G 7.75 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 36 I 7.48 3.90 1.65 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.08 0.86 0.00 0.00 37 Q 8.84 4.19 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 38 S 8.00 4.49 0.00 3.69 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 39 Y 8.12 4.53 0.00 3.08 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 40 E 8.10 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 41 E 8.24 4.28 0.00 2.34 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 0.00 2.49 2.46 0.00 42 L 8.00 4.88 0.00 1.75 1.63 0.90 0.82 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 43 A 9.32 4.27 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 44 A 7.37 4.44 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 45 V 8.33 4.59 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 0.24 0.00 0.00 0.78 0.00 0.00 46 I 8.48 4.88 1.79 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 1.19 0.55 0.90 0.00 0.00 47 F 9.51 5.55 0.00 2.85 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 48 T 8.79 5.73 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 1.23 0.00 0.00 49 V 8.16 4.90 2.03 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 0.95 0.00 0.00 0.87 0.00 0.00 50 T 8.32 4.60 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 1.21 0.00 0.00 51 E 8.87 4.04 0.00 2.06 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 2.25 2.27 0.00 52 D 8.02 4.66 0.00 2.90 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 53 L 7.54 4.82 0.00 1.72 1.51 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.51 3.97 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 0.48 0.00 0.00 55 F 7.37 3.95 0.00 3.06 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 56 A 7.11 4.37 1.03 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 0.00 0.00 57 F 8.04 5.03 0.00 3.07 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 58 P 0.00 3.96 0.00 0.49 1.78 0.00 3.62 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 1.57 1.65 0.00 59 A 7.72 3.98 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 60 E 8.40 3.97 0.00 2.24 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 2.33 2.34 0.00 61 A 7.80 3.82 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 62 A 7.85 3.89 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 R 8.10 3.61 0.00 1.87 2.15 0.00 3.30 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 1.65 1.67 0.00 64 Q 8.03 4.01 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 65 I 7.21 4.14 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.98 0.00 0.00 66 G 8.27 4.07 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 0.00 0.00 0.00 67 M 7.87 4.08 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.81 0.00 68 H 8.28 4.11 0.00 3.18 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.91 4.30 0.00 1.86 2.00 0.00 3.39 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 70 V 7.37 4.06 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 0.74 0.00 0.00 0.83 0.00 0.00 71 P 0.00 4.48 0.00 2.16 2.19 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 72 L 8.48 5.81 0.00 1.62 1.82 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.38 4.96 0.00 1.73 1.45 0.95 0.78 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 74 S 8.85 5.39 0.00 3.90 3.89 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 75 A 9.03 4.88 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 76 R 8.46 4.47 0.00 1.81 1.84 0.00 3.22 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 77 E 8.77 4.13 0.00 2.02 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 2.33 2.31 0.00 78 V 8.52 3.54 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 0.87 0.00 0.00 0.93 0.00 0.00 79 P 0.00 4.56 0.00 2.25 2.10 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 V 7.46 3.72 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 0.99 0.00 0.00 0.98 0.00 0.00 81 P 0.00 4.38 0.00 2.07 1.97 0.00 3.81 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 2.02 2.08 0.00 82 G 8.85 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 83 S 7.59 4.35 0.00 4.04 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 84 L 8.45 3.86 0.00 1.62 1.68 0.94 1.02 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 85 P 0.00 4.57 0.00 2.22 2.03 0.00 3.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 86 R 8.95 3.84 0.00 2.05 1.95 0.00 3.07 0.00 0.00 3.18 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 87 V 8.04 4.86 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 1.03 0.00 0.00 1.06 0.00 0.00 88 I 8.67 4.70 1.86 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 1.20 0.80 0.94 0.00 0.00 89 R 8.94 5.08 0.00 1.74 1.77 0.00 3.26 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 90 V 8.59 4.74 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 0.67 0.00 0.00 1.03 0.00 0.00 91 L 8.88 5.06 0.00 1.68 1.42 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.88 4.76 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 93 L 8.92 4.79 0.00 1.61 1.66 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.25 5.36 0.00 3.24 3.26 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 95 N 9.18 5.08 0.00 2.83 2.76 0.00 0.00 6.82 7.06 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 96 T 7.91 4.07 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 -0.01 0.00 0.00 97 D 8.16 4.66 0.00 2.69 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 98 T 7.01 3.78 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 1.25 0.00 0.00 99 P 0.00 4.33 0.00 2.28 1.96 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 100 Q 8.88 3.97 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 101 D 8.06 4.62 0.00 2.83 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 0.00 102 R 7.84 4.43 0.00 1.97 2.05 0.00 3.35 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 103 V 7.42 3.97 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 0.86 0.00 0.00 1.15 0.00 0.00 104 R 9.46 4.46 0.00 1.85 1.86 0.00 3.39 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 105 H 8.64 5.01 0.00 3.22 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.54 4.45 2.03 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 0.96 0.00 0.00 0.92 0.00 0.00 107 Y 8.87 4.94 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 0.00 108 L 8.84 4.80 0.00 1.55 1.54 0.96 1.08 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 0.00 109 R 8.71 3.54 0.00 2.01 1.40 0.00 3.33 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 110 E 9.15 4.14 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 111 A 8.11 4.28 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 0.00 112 V 7.72 3.72 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 1.06 0.00 0.00 0.98 0.00 0.00 113 R 7.81 4.10 0.00 1.89 2.00 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 114 L 7.95 4.11 0.00 1.84 1.82 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 R 6.75 4.40 0.00 1.47 1.57 0.00 2.79 0.00 0.00 2.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 116 P 0.00 4.38 0.00 2.14 1.99 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00