NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5745 8.5598 114.7997 57.8098 64.9553 174.3993 2 D 4.2532 8.0640 120.9081 55.2672 39.6524 175.5271 3 K 4.3942 8.7328 118.7132 55.9421 33.1129 176.7168 4 I 4.6436 7.3188 120.0502 59.1823 39.5519 175.5378 5 I 3.7833 8.3775 129.1715 61.6583 38.1546 174.8566 6 H 4.8516 8.8652 127.4561 55.5173 30.0668 174.2197 7 L 4.8333 8.5253 126.6732 53.5651 43.1057 176.1471 8 T 4.8754 8.3556 110.6695 59.0494 72.0573 174.6150 9 D 4.6689 8.6228 122.9959 57.2457 40.7942 179.0009 10 D 4.5749 8.0264 117.7531 57.1221 41.3627 178.2780 11 S 4.3574 8.3145 113.6013 59.8580 63.1461 176.1503 12 F 3.8823 7.9264 124.7844 61.4955 39.3119 176.0946 13 D 4.4318 8.3963 117.1700 57.8585 40.6807 178.4567 14 T 3.8778 7.6723 114.3421 66.8333 68.8037 176.3348 15 D 4.3788 7.9217 119.3752 56.6436 41.0768 177.1065 16 V 3.7323 7.3974 116.2560 64.0964 32.9605 177.4607 17 L 3.9113 7.2578 117.9888 57.2221 41.8081 178.8856 18 K 4.3973 7.5842 114.4777 55.8354 32.8722 176.5656 19 A 4.1375 7.8245 123.4832 52.0608 18.9346 176.6573 20 D 4.7595 8.4187 120.5375 53.9597 43.0046 178.6656 21 G 3.8123 8.8101 110.9465 44.8774 0.0000 171.6683 22 A 5.1692 8.1807 119.4064 50.6008 21.3877 176.6911 23 I 4.8841 8.5465 121.9141 59.3582 41.2658 174.4503 24 L 5.0243 9.1905 129.3989 53.6212 43.6261 174.8948 25 V 4.5016 8.8463 128.0716 61.5945 33.2709 173.9353 26 D 5.0841 9.1241 128.7660 52.8837 42.4198 174.8141 27 F 5.2320 9.0153 126.0241 56.1855 40.7635 175.2291 28 W 4.9037 8.7667 118.9648 56.0190 32.0861 172.9352 29 A 3.7717 7.9395 119.9390 50.0265 21.2641 177.1882 30 E 4.0198 8.3026 121.1144 58.6791 29.8548 177.9037 31 W 4.4312 7.3841 113.2179 57.0838 28.9324 177.2387 32 C 4.7286 7.6785 120.8937 55.3903 44.2218 173.4619 33 G 3.7785 8.7872 114.0796 48.1094 0.0000 171.3462 34 P 4.3761 0.0000 0.0000 64.3951 31.3431 179.2024 35 C 4.4859 8.1224 115.6259 59.7707 36.7599 175.8751 36 K 3.6709 8.0222 120.2416 59.4364 31.4469 178.8468 37 M 3.9595 8.0075 118.0312 58.1636 32.3033 177.3963 38 I 4.1571 7.2837 110.6872 61.0326 38.5929 177.2631 39 A 3.7925 7.4733 123.7330 55.1250 17.9971 177.8717 40 P 4.1514 0.0000 0.0000 65.7094 31.0530 178.7166 41 I 3.6977 7.7792 118.1832 64.6375 36.9868 178.2721 42 L 4.0698 8.0207 119.6880 57.6698 40.8840 179.2194 43 D 4.3497 7.8758 118.6420 57.3264 40.7282 178.5995 44 E 4.0789 8.0994 118.8718 59.0389 29.3417 179.1876 45 I 4.1533 7.4252 118.5786 63.6580 37.1236 177.8905 46 A 4.0000 7.8891 121.0928 55.6787 18.5843 178.6292 47 D 4.3399 8.1094 116.4592 57.7802 41.0737 178.3290 48 E 4.1008 9.0297 120.5870 58.5173 29.8345 177.5940 49 Y 4.4598 8.0607 115.6000 57.5485 38.3907 177.2273 50 Q 4.1796 8.0077 123.8375 58.7559 29.0248 177.6541 51 G 3.9798 7.9925 103.7458 45.3849 0.0000 173.8762 52 K 4.4324 8.2888 119.5568 57.3410 33.8484 175.9128 53 L 4.7040 7.5262 115.5625 55.2450 43.4752 174.7007 54 T 4.6041 8.8097 116.5415 62.0442 71.0647 173.9548 55 V 4.7923 8.2390 124.4323 61.3108 33.9620 174.2537 56 A 5.2632 9.1371 128.8223 49.9693 22.8495 174.8176 57 K 5.0462 8.8255 119.1101 54.9005 36.5495 174.8803 58 L 4.9000 8.8694 123.8140 53.2696 45.0845 174.6604 59 N 4.2611 8.6621 125.9548 52.8483 39.3904 175.4557 60 I 4.1792 8.1057 120.4376 62.8781 38.0923 177.5019 61 D 4.5200 8.2733 123.2583 57.5340 40.6416 177.5525 62 Q 4.3227 8.0057 113.3966 57.0853 29.2195 176.1778 63 N 5.0737 7.7113 116.6891 51.3707 39.6193 172.8824 64 P 4.4905 0.0000 0.0000 64.0919 32.3334 178.4456 65 G 3.8702 8.1103 107.2298 47.1802 0.0000 175.4988 66 T 3.9237 8.4057 117.1015 66.4277 68.9612 176.7508 67 A 3.7996 8.1726 122.8167 54.7612 18.3560 177.7262 68 P 4.1689 0.0000 0.0000 65.4687 31.2154 178.3659 69 K 4.0649 7.4513 113.4983 57.8456 31.3477 176.8074 70 Y 4.5193 7.7423 116.2050 56.7233 39.2979 176.5156 71 G 3.9942 8.2968 107.4217 46.1667 0.0000 174.1290 72 I 3.6291 7.1030 121.2040 61.2099 37.1808 176.4282 73 R 4.2817 8.3104 124.8560 54.6061 30.2857 175.2480 74 G 4.1165 8.5630 113.6555 44.4847 0.0000 170.4721 75 I 4.6844 7.9299 111.7423 57.4965 40.8853 173.3932 76 P 4.8045 0.0000 0.0000 63.0228 32.8019 175.3823 77 T 5.0363 8.4534 116.7422 62.2270 73.2668 172.4297 78 L 5.3418 8.9390 126.2343 52.9992 44.3827 175.2857 79 L 5.1439 9.0315 123.6836 52.8409 44.8125 175.2156 80 L 4.9884 9.0692 126.5849 53.6831 43.5325 175.1137 81 F 4.9751 9.1442 126.1786 56.5989 41.1877 175.2091 82 K 4.6118 9.3012 122.0762 55.1647 34.7988 176.2383 83 N 4.5225 8.7952 122.4824 53.6568 36.2609 174.5110 84 G 4.5330 8.0412 100.3337 45.5237 0.0000 171.6491 85 E 4.8926 8.1736 118.0943 53.8280 32.9863 175.4850 86 V 3.5114 8.4264 122.6809 62.9160 32.0920 175.2440 87 A 4.5386 8.9407 129.1843 53.6995 20.3568 176.7213 88 A 4.6794 7.3750 113.8964 51.5256 22.5210 175.5637 89 T 5.1791 8.6215 108.7659 59.8696 72.4247 173.4928 90 K 4.2442 8.9839 124.3855 54.8366 34.9393 175.3074 91 V 4.1897 8.4709 127.5961 62.8100 32.9281 176.5464 92 G 4.0451 8.4675 109.4250 45.2985 0.0000 173.4478 93 A 4.1675 8.1001 122.5128 52.2777 18.9583 176.6846 94 L 4.7015 7.8967 118.6232 53.7102 43.4560 175.6431 95 S 4.6710 8.4641 114.6413 56.3952 66.2029 174.9216 96 K 3.8891 8.6109 122.7127 59.9855 31.6845 178.5501 97 G 3.6995 8.1070 104.9530 48.1494 0.0000 175.4406 98 Q 4.0842 7.8784 120.6771 58.2826 28.5810 178.7248 99 L 3.9806 8.3435 122.1573 58.0847 42.2841 179.2273 100 K 3.9867 8.1794 118.6585 59.6918 32.3329 178.6173 101 C 4.0579 8.1506 120.3375 62.4167 31.2795 175.1591 102 F 4.3208 8.0043 120.6709 61.3882 39.1577 176.8868 103 L 3.7822 8.1167 118.4068 57.9513 41.3337 179.1511 104 D 4.4228 8.3524 117.3990 56.9937 41.0001 177.5477 105 C 4.3309 7.4578 116.5769 60.5674 31.7960 173.3582 106 N 5.0329 8.0236 116.8548 52.8945 39.1474 174.3365 107 L 4.3497 7.9049 123.5739 55.0245 42.6607 176.5849 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 8.56 4.57 0.00 3.92 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 2 D 8.06 4.25 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.73 4.39 0.00 1.74 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 4 I 7.32 4.64 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.82 0.00 0.00 5 I 8.38 3.78 1.81 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 1.08 0.82 0.86 0.00 0.00 6 H 8.87 4.85 0.00 3.17 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.53 4.83 0.00 1.65 1.64 0.79 0.56 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 8 T 8.36 4.88 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 1.25 0.00 0.00 9 D 8.62 4.67 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.57 0.00 2.68 2.76 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 11 S 8.31 4.36 0.00 4.08 4.14 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 12 F 7.93 3.88 0.00 3.40 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 13 D 8.40 4.43 0.00 2.89 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 14 T 7.67 3.88 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 1.19 0.00 0.00 15 D 7.92 4.38 0.00 2.44 2.56 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 16 V 7.40 3.73 0.67 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 -0.30 0.00 0.00 0.05 0.00 0.00 17 L 7.26 3.91 0.00 2.08 1.79 1.24 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 4.40 0.00 2.00 1.80 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 A 7.82 4.14 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 20 D 8.42 4.76 0.00 2.67 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 21 G 8.81 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 22 A 8.18 5.17 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 23 I 8.55 4.88 1.85 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 1.08 1.07 0.85 0.00 0.00 24 L 9.19 5.02 0.00 1.71 1.54 1.12 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.85 4.50 2.28 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 0.44 0.00 0.00 0.86 0.00 0.00 26 D 9.12 5.08 0.00 2.74 2.56 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 27 F 9.02 5.23 0.00 3.23 3.01 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 0.00 0.00 0.00 28 W 8.77 4.90 0.00 3.39 3.24 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 29 A 7.94 3.77 -0.08 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 0.00 0.00 0.00 0.00 0.00 30 E 8.30 4.02 0.00 1.89 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 0.00 2.36 2.44 0.00 31 W 7.38 4.43 0.00 3.54 3.18 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 0.00 0.00 0.00 32 C 7.68 4.73 0.00 2.07 2.92 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 33 G 8.79 3.78 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 0.00 0.00 0.00 34 P 0.00 4.38 0.00 2.05 2.15 0.00 3.74 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 2.07 2.21 0.00 35 C 8.12 4.49 0.00 3.19 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 36 K 8.02 3.67 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.63 7.81 37 M 8.01 3.96 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 38 I 7.28 4.16 1.82 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 1.66 0.57 0.92 0.00 0.00 39 A 7.47 3.79 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 40 P 0.00 4.15 0.00 2.14 2.07 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 41 I 7.78 3.70 2.01 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 1.63 1.11 0.89 0.00 0.00 42 L 8.02 4.07 0.00 1.78 1.62 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.88 4.35 0.00 2.85 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 44 E 8.10 4.08 0.00 2.15 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 0.00 2.33 2.34 0.00 45 I 7.43 4.15 1.95 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 1.59 0.88 0.69 0.00 0.00 46 A 7.89 4.00 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 47 D 8.11 4.34 0.00 2.83 2.76 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 48 E 9.03 4.10 0.00 2.09 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 2.35 2.54 0.00 49 Y 8.06 4.46 0.00 3.22 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 50 Q 8.01 4.18 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 51 G 7.99 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 52 K 8.29 4.43 0.00 1.97 2.00 0.00 1.89 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.32 7.81 53 L 7.53 4.70 0.00 1.80 1.64 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.81 4.60 4.20 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 1.17 0.00 0.00 55 V 8.24 4.79 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 0.92 0.00 0.00 0.90 0.00 0.00 56 A 9.14 5.26 1.07 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 57 K 8.83 5.05 0.00 1.85 1.69 0.00 0.93 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.29 7.81 58 L 8.87 4.90 0.00 1.51 1.23 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.66 4.26 0.00 2.26 2.41 0.00 0.00 6.95 7.82 0.00 0.00 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 I 8.11 4.18 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 1.04 0.00 0.00 61 D 8.27 4.52 0.00 2.86 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 62 Q 8.01 4.32 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.22 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 63 N 7.71 5.07 0.00 2.78 3.04 0.00 0.00 6.67 9.28 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 64 P 0.00 4.49 0.00 2.18 2.19 0.00 3.91 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 1.99 1.96 0.00 65 G 8.11 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 66 T 8.41 3.92 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 0.48 0.00 0.00 67 A 8.17 3.80 1.11 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 0.00 0.00 68 P 0.00 4.17 0.00 2.12 2.08 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 69 K 7.45 4.06 0.00 1.39 1.46 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.55 7.81 70 Y 7.74 4.52 0.00 2.98 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 71 G 8.30 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 0.00 0.00 0.00 72 I 7.10 3.63 1.76 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 1.07 0.42 0.75 0.00 0.00 73 R 8.31 4.28 0.00 1.75 1.86 0.00 3.32 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 74 G 8.56 4.12 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 0.00 0.00 0.00 75 I 7.93 4.68 2.01 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 1.01 0.00 0.00 76 P 0.00 4.80 0.00 2.15 2.24 0.00 3.85 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 1.97 1.84 0.00 77 T 8.45 5.04 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 1.19 0.00 0.00 78 L 8.94 5.34 0.00 1.49 1.54 0.80 0.68 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 79 L 9.03 5.14 0.00 1.80 1.35 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.07 4.99 0.00 1.81 1.64 0.94 0.54 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 81 F 9.14 4.98 0.00 2.98 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 82 K 9.30 4.61 0.00 1.63 1.70 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.37 7.81 83 N 8.80 4.52 0.00 2.82 2.83 0.00 0.00 6.92 7.28 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 84 G 8.04 4.53 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 0.00 85 E 8.17 4.89 0.00 2.20 1.86 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 2.32 2.42 0.00 86 V 8.43 3.51 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 0.61 0.00 0.00 0.31 0.00 0.00 87 A 8.94 4.54 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 88 A 7.37 4.68 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 89 T 8.62 5.18 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 1.20 0.00 0.00 90 K 8.98 4.24 0.00 0.83 0.74 0.00 1.31 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.84 1.12 7.81 91 V 8.47 4.19 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 92 G 8.47 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 93 A 8.10 4.17 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 94 L 7.90 4.70 0.00 1.74 1.65 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.46 4.67 0.00 4.10 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 96 K 8.61 3.89 0.00 1.84 1.89 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.57 7.81 97 G 8.11 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 98 Q 7.88 4.08 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.34 3.98 0.00 1.72 1.81 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.18 3.99 0.00 2.24 2.18 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.52 7.81 101 C 8.15 4.06 0.00 3.33 3.24 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 0.00 102 F 8.00 4.32 0.00 3.04 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 0.00 103 L 8.12 3.78 0.00 1.50 1.42 0.18 0.93 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 0.00 104 D 8.35 4.42 0.00 2.72 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 0.00 105 C 7.46 4.33 0.00 3.13 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 0.00 106 N 8.02 5.03 0.00 2.45 2.62 0.00 0.00 6.75 8.69 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 0.00 107 L 7.90 4.35 0.00 1.61 1.54 0.99 0.86 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