NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6594 8.1476 120.6185 55.8706 34.0072 173.8219 2 E 4.8898 8.4315 120.1691 54.6513 32.7614 172.6797 3 A 4.4797 9.2942 123.7033 50.1931 22.0452 177.4975 4 K 4.8121 8.6031 121.6236 56.3176 34.1631 176.5062 5 A 4.3668 7.9370 118.7570 51.4575 23.1292 175.6238 6 I 4.8641 8.4827 122.7789 59.4504 41.0783 174.9587 7 A 4.5515 9.3068 129.6657 50.4806 19.9804 175.8698 8 R 4.4625 8.4220 119.9398 56.8072 31.7702 176.0893 9 Y 3.4280 8.9323 116.8444 59.2553 35.2271 170.4032 10 V 3.8174 7.9203 120.8146 61.8832 32.6524 175.9596 11 R 4.8386 8.4830 128.5471 55.6981 27.2126 175.3367 12 I 4.1749 7.3791 116.2938 59.8205 42.2699 173.3588 13 S 4.2646 8.4240 122.9419 57.2722 62.8991 172.2538 14 P 4.1780 0.0000 0.0000 66.1198 30.8310 178.5374 15 R 3.8972 7.9737 116.0799 59.6869 30.1203 178.7871 16 K 4.1525 7.9520 117.3348 59.6904 32.2563 179.6864 17 V 3.6390 7.7853 112.1169 63.9164 31.4306 178.6243 18 R 3.9743 8.3264 118.5721 59.3256 29.6620 178.7175 19 L 3.9832 7.2517 117.1946 57.8573 41.9698 179.5195 20 V 3.7353 7.7430 117.3341 66.0728 31.6129 177.7628 21 V 3.5770 7.8060 117.9011 66.4319 31.0952 177.6571 22 D 4.4616 8.2904 117.3511 57.1715 40.6081 178.6249 23 L 4.1688 7.6680 119.3466 57.3554 42.1438 178.6972 24 I 4.3157 7.6339 110.7609 59.7761 37.9488 175.2759 25 R 3.9907 7.5495 121.8032 58.0080 29.9948 175.8182 26 G 4.2341 8.7903 114.2548 46.7240 0.0000 172.8364 27 K 4.6865 7.5719 117.3438 53.6719 34.8722 176.1775 28 S 4.4836 8.0845 114.8279 58.4193 64.1233 175.0214 29 L 3.9371 8.3346 129.4989 58.5799 41.7484 179.2664 30 E 3.9420 8.1979 118.5597 59.0507 29.6774 178.1377 31 E 3.9556 7.9522 118.4392 59.1833 29.7568 178.5317 32 A 3.9817 8.2160 120.8103 55.4320 18.6100 179.4431 33 R 3.8600 8.0331 116.4691 59.8888 30.2911 178.9805 34 N 4.3919 7.9470 115.6447 56.3031 38.5737 177.1939 35 I 3.7329 7.6191 120.7644 64.8612 37.0765 178.3454 36 L 4.0056 7.8655 118.2850 57.6927 41.4525 179.4740 37 R 3.8341 7.5095 117.4971 59.2442 30.1772 177.4404 38 Y 4.6300 7.3551 112.0818 56.8456 38.7462 175.7710 39 T 4.0256 7.5657 116.4092 61.8816 67.8734 174.2745 40 N 4.6952 8.5011 128.0816 51.9830 37.4867 173.4632 41 K 4.4780 7.6133 119.9823 53.7665 36.4432 176.7664 42 R 4.0680 8.6563 122.2745 59.5438 30.1172 179.1642 43 G 4.0143 8.3379 104.8214 47.6058 0.0000 174.9170 44 A 3.9863 7.7508 121.8769 55.4487 18.3837 178.6665 45 Y 3.9715 7.5905 115.8773 61.0654 38.7501 178.9872 46 F 4.1032 7.8445 117.6585 60.6054 39.2272 177.7819 47 V 3.5939 8.0150 117.6942 65.7353 31.2541 177.7508 48 A 3.8814 8.7375 121.4312 55.1787 18.2706 179.4383 49 K 3.6440 7.7216 118.2365 59.6034 32.0979 179.3370 50 V 3.6245 7.8026 119.4572 64.4814 31.2194 178.0578 51 L 3.8483 8.0464 120.6126 57.8695 42.0701 178.2948 52 E 4.0206 8.7643 119.5662 59.4657 29.6135 178.8346 53 S 4.0929 7.9628 112.3952 61.0561 62.3856 175.7133 54 A 3.9557 8.1660 123.6963 54.9443 17.8964 179.6078 55 A 3.8552 7.7466 118.9019 55.2653 18.5822 179.3889 56 A 3.9314 8.0401 118.8502 55.7810 18.1471 179.5047 57 N 4.3904 8.1347 113.1194 56.2729 38.7118 177.1732 58 A 4.1470 7.7741 121.9091 55.1774 18.3222 179.6585 59 V 3.8335 8.0197 116.8173 66.0483 31.5966 177.3532 60 N 4.8233 8.5209 113.1866 53.9308 38.4300 175.7803 61 N 4.9485 7.8058 114.2634 54.1922 43.6139 174.9967 62 H 4.7804 8.0303 114.3072 55.1252 31.0259 173.4555 63 D 4.3174 8.4735 115.5244 54.2521 38.3155 173.5392 64 M 5.0092 7.6596 117.4523 54.9640 32.7512 175.4735 65 L 4.6522 8.2742 120.2534 52.7650 43.5338 177.1812 66 E 3.8869 9.0811 125.0978 59.6455 29.4719 177.4017 67 D 4.6587 8.0242 115.1495 55.2483 41.2425 176.4708 68 R 4.5923 8.5655 114.9374 55.1293 31.0151 174.4940 69 L 5.9010 7.9421 119.3065 54.6042 43.5868 175.1950 70 Y 5.0399 8.4633 116.1421 56.5776 41.8310 173.7820 71 V 4.2928 7.9785 117.6570 61.2329 30.3956 176.8052 72 K 3.2339 7.6780 126.6067 58.5554 32.5123 175.5481 73 A 4.4874 7.6570 117.6193 51.7752 23.1285 174.7691 74 A 4.6319 8.0283 118.8666 51.6536 22.1312 175.3363 75 Y 4.7260 7.6704 115.5087 56.5446 41.5112 173.0913 76 V 4.9533 8.7374 120.4052 60.2970 34.0739 174.5152 77 D 5.1260 8.6406 121.6710 52.4472 44.8475 174.5474 78 E 4.3115 8.8225 122.7838 55.8806 30.3977 176.2406 79 G 3.9041 7.8342 115.4100 43.7828 0.0000 171.2743 80 P 4.3293 0.0000 0.0000 62.9007 31.7935 175.5465 81 A 4.6884 8.1303 121.8324 50.2086 21.6987 176.5867 82 L 4.3318 8.6135 122.0915 53.5279 42.4936 176.2402 83 K 4.8090 8.4620 124.0253 56.0983 33.2229 177.0594 84 R 4.7281 8.7782 122.0969 54.3923 34.7593 175.5181 85 V 4.2208 8.3779 115.7005 61.5919 33.3307 175.7256 86 L 4.1588 8.2070 120.8611 53.8861 44.7080 172.1331 87 P 4.5384 0.0000 0.0000 63.1176 31.6095 175.9963 88 R 4.7791 8.9722 124.3527 53.7528 33.7080 174.7374 89 A 3.9327 8.5907 125.9982 54.0183 18.7761 177.8411 90 R 3.8708 9.2800 118.2943 56.9873 27.5175 176.5045 91 G 4.0950 8.0962 107.9868 45.4027 0.0000 175.2158 92 R 4.0228 7.9712 117.6138 56.9391 31.1634 175.4963 93 A 5.0984 8.6006 124.2635 50.2544 21.0740 174.9052 94 D 5.0561 9.0074 122.9024 52.3668 44.0383 175.5864 95 I 4.6710 8.2570 116.3460 59.9373 38.9054 174.7643 96 I 4.2229 8.9824 128.5619 59.6727 39.8131 174.6156 97 K 4.7575 8.5175 128.4138 54.9134 33.1981 176.6648 98 K 4.2737 8.7173 126.9264 55.4762 31.1108 177.4536 99 R 4.6454 8.2217 124.8872 55.8563 32.1877 174.7953 100 T 4.9696 8.1010 113.2378 60.8264 71.5929 172.1212 101 S 4.9315 8.7677 119.1251 57.0897 67.6443 173.1195 102 H 6.0176 9.2031 118.6644 52.7804 29.2732 171.5495 103 I 4.1205 7.9197 121.7838 61.4570 38.5303 174.8271 104 T 4.8763 8.8439 123.9913 61.5641 71.7430 173.3528 105 V 4.6000 8.6654 125.0538 60.9471 35.4773 174.0136 106 I 4.8676 8.6518 120.6307 59.2959 40.7385 175.3408 107 L 5.3620 8.0712 127.0322 53.4581 44.4067 175.2791 108 G 4.4580 8.0530 103.5615 45.4695 0.0000 172.9209 109 E 4.2863 8.2007 119.1056 57.5380 30.3946 176.0219 110 K 3.7114 9.0393 126.7433 57.4005 31.7434 177.6493 111 H 4.6542 8.7716 118.1685 54.4830 30.2906 174.4006 112 G 3.6610 8.6206 106.9220 46.2848 0.0000 172.6051 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 8.15 4.66 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 E 8.43 4.89 0.00 2.11 1.85 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 2.17 2.36 0.00 3 A 9.29 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.60 4.81 0.00 1.63 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 5 A 7.94 4.37 1.13 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 0.00 0.00 6 I 8.48 4.86 1.83 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 1.20 0.65 0.91 0.00 0.00 7 A 9.31 4.55 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 8 R 8.42 4.46 0.00 1.55 1.82 0.00 3.20 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 9 Y 8.93 3.43 0.00 3.03 3.08 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 10 V 7.92 3.82 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 0.20 0.00 0.00 0.98 0.00 0.00 11 R 8.48 4.84 0.00 1.72 1.87 0.00 3.43 0.00 0.00 3.14 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 12 I 7.38 4.17 1.48 0.00 0.00 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 1.10 0.52 0.58 0.00 0.00 13 S 8.42 4.26 0.00 3.88 3.71 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 14 P 0.00 4.18 0.00 2.18 2.06 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 15 R 7.97 3.90 0.00 1.77 2.05 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 16 K 7.95 4.15 0.00 2.07 1.89 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 17 V 7.79 3.64 2.13 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 0.97 0.00 0.00 0.97 0.00 0.00 18 R 8.33 3.97 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 19 L 7.25 3.98 0.00 1.90 1.77 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.74 3.74 2.26 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 1.09 0.00 0.00 0.97 0.00 0.00 21 V 7.81 3.58 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 0.98 0.00 0.00 0.94 0.00 0.00 22 D 8.29 4.46 0.00 2.86 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 23 L 7.67 4.17 0.00 1.95 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.63 4.32 1.87 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 1.65 0.66 0.92 0.00 0.00 25 R 7.55 3.99 0.00 1.80 1.92 0.00 3.33 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 26 G 8.79 4.23 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 0.00 27 K 7.57 4.69 0.00 2.12 1.74 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 28 S 8.08 4.48 0.00 4.05 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 29 L 8.33 3.94 0.00 1.92 1.69 0.92 1.11 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 30 E 8.20 3.94 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 2.40 2.38 0.00 31 E 7.95 3.96 0.00 2.13 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 0.00 2.34 2.36 0.00 32 A 8.22 3.98 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 33 R 8.03 3.86 0.00 2.04 2.02 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 34 N 7.95 4.39 0.00 2.97 2.96 0.00 0.00 7.05 6.84 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 35 I 7.62 3.73 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.94 0.00 0.00 36 L 7.87 4.01 0.00 1.74 1.71 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.51 3.83 0.00 1.73 2.01 0.00 2.91 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 38 Y 7.36 4.63 0.00 3.05 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 39 T 7.57 4.03 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 40 N 8.50 4.70 0.00 2.74 2.76 0.00 0.00 7.00 6.68 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 41 K 7.61 4.48 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.34 7.81 42 R 8.66 4.07 0.00 1.92 2.02 0.00 3.25 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 43 G 8.34 4.01 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 0.00 0.00 0.00 44 A 7.75 3.99 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 0.00 0.00 45 Y 7.59 3.97 0.00 2.91 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 46 F 7.84 4.10 0.00 3.32 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 47 V 8.01 3.59 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 0.93 0.00 0.00 1.00 0.00 0.00 48 A 8.74 3.88 1.26 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 0.00 0.00 49 K 7.72 3.64 0.00 1.41 1.73 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.33 1.30 7.81 50 V 7.80 3.62 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 0.76 0.00 0.00 0.87 0.00 0.00 51 L 8.05 3.85 0.00 1.68 1.89 0.89 0.96 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 52 E 8.76 4.02 0.00 2.17 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 0.00 2.26 2.33 0.00 53 S 7.96 4.09 0.00 3.90 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 54 A 8.17 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.75 3.86 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 56 A 8.04 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.13 4.39 0.00 2.72 2.94 0.00 0.00 7.06 6.97 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 58 A 7.77 4.15 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 59 V 8.02 3.83 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 1.00 0.00 0.00 60 N 8.52 4.82 0.00 2.76 2.83 0.00 0.00 6.97 7.87 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 61 N 7.81 4.95 0.00 2.77 2.62 0.00 0.00 6.66 8.04 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 62 H 8.03 4.78 0.00 3.51 3.22 0.00 5.96 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.47 4.32 0.00 2.91 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 64 M 7.66 5.01 0.00 2.22 2.19 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 2.86 2.63 0.00 65 L 8.27 4.65 0.00 1.68 1.57 0.92 0.74 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 66 E 9.08 3.89 0.00 1.93 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 2.31 2.37 0.00 67 D 8.02 4.66 0.00 2.71 2.70 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 68 R 8.57 4.59 0.00 1.88 2.06 0.00 2.73 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 69 L 7.94 5.90 0.00 1.92 1.94 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.46 5.04 0.00 3.24 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 71 V 7.98 4.29 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 0.84 0.00 0.00 0.88 0.00 0.00 72 K 7.68 3.23 0.00 1.47 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.47 7.81 73 A 7.66 4.49 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 74 A 8.03 4.63 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 75 Y 7.67 4.73 0.00 2.96 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 76 V 8.74 4.95 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 0.80 0.00 0.00 0.91 0.00 0.00 77 D 8.64 5.13 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 78 E 8.82 4.31 0.00 1.95 1.82 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 2.20 2.26 0.00 79 G 7.83 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 80 P 0.00 4.33 0.00 1.82 1.90 0.00 3.27 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 81 A 8.13 4.69 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 82 L 8.61 4.33 0.00 1.74 1.61 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.46 4.81 0.00 1.62 1.72 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 84 R 8.78 4.73 0.00 1.67 1.74 0.00 3.28 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 85 V 8.38 4.22 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 0.63 0.00 0.00 0.93 0.00 0.00 86 L 8.21 4.16 0.00 1.73 1.74 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.54 0.00 1.97 1.99 0.00 3.66 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 2.03 2.09 0.00 88 R 8.97 4.78 0.00 1.90 1.78 0.00 3.16 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 89 A 8.59 3.93 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 90 R 9.28 3.87 0.00 1.99 2.07 0.00 3.17 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 91 G 8.10 4.10 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 0.00 92 R 7.97 4.02 0.00 1.77 1.89 0.00 3.06 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 93 A 8.60 5.10 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 0.00 0.00 0.00 0.00 0.00 94 D 9.01 5.06 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.67 1.86 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 1.22 0.56 0.90 0.00 0.00 96 I 8.98 4.22 1.86 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 1.22 1.23 0.94 0.00 0.00 97 K 8.52 4.76 0.00 1.64 1.73 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 98 K 8.72 4.27 0.00 1.82 1.75 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.40 7.81 99 R 8.22 4.65 0.00 1.73 1.81 0.00 3.04 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 100 T 8.10 4.97 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 1.11 0.00 0.00 101 S 8.77 4.93 0.00 3.68 3.65 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 0.00 0.00 0.00 0.00 102 H 9.20 6.02 0.00 3.17 3.21 0.00 5.65 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 0.00 103 I 7.92 4.12 1.86 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 1.36 0.57 0.87 0.00 0.00 104 T 8.84 4.88 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 0.84 0.00 0.00 105 V 8.67 4.60 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 0.91 0.00 0.00 0.84 0.00 0.00 106 I 8.65 4.87 1.82 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 1.36 0.51 0.85 0.00 0.00 107 L 8.07 5.36 0.00 1.63 1.65 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.05 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.29 0.00 1.93 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 2.43 0.00 110 K 9.04 3.71 0.00 1.84 1.49 0.00 0.96 0.00 0.00 1.23 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.50 7.81 111 H 8.77 4.65 0.00 3.20 2.98 0.00 5.62 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 0.00 112 G 8.62 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