NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1840 8.1733 122.0498 56.2045 34.1252 174.3391 2 L 4.9399 8.3114 127.0141 52.6837 42.4473 175.6260 3 F 4.2775 9.9443 124.9009 57.3765 40.3199 175.1621 4 E 4.2148 8.9500 120.8551 55.4196 31.1469 176.4822 5 R 3.2808 8.9580 119.6741 61.0788 29.9023 179.2984 6 C 4.3247 8.0116 115.3665 59.7204 39.1857 175.8081 7 E 3.8997 8.0929 120.6747 59.2537 29.3161 178.4986 8 L 3.6177 8.0476 120.1368 57.7987 42.0251 178.5409 9 A 3.9400 7.8776 120.7268 55.5212 18.2492 179.9523 10 R 3.8960 8.0332 116.3653 59.4497 30.1181 179.4516 11 T 3.8492 7.9140 115.6636 66.6763 68.5615 176.6647 12 L 3.8581 8.1714 121.2623 57.5131 41.6082 179.5119 13 K 3.9335 8.1818 119.6265 59.6808 31.9572 179.1295 14 R 4.0055 8.0410 117.3217 58.8923 29.9950 178.0827 15 L 4.3671 7.3799 115.8466 54.2422 41.7139 176.9476 16 G 3.8535 7.8699 106.8574 46.9939 0.0000 175.0636 17 M 3.9830 7.7026 120.7441 56.1940 32.5646 175.5668 18 D 4.5886 8.0524 117.5208 55.7821 41.1016 175.6221 19 G 3.9366 9.3489 115.2369 45.7262 0.0000 171.3256 20 Y 4.2556 8.4022 122.0189 58.7289 39.0102 176.5398 21 R 3.6171 8.9476 127.0321 57.3017 27.7811 177.2358 22 G 3.8101 8.1657 103.1089 45.7637 0.0000 173.9941 23 I 4.0518 7.5927 122.1844 59.2184 37.9498 175.9024 24 S 4.6611 8.3323 120.3863 57.7039 63.8741 174.8632 25 L 4.2429 8.9812 123.0010 58.6807 41.6448 179.2618 26 A 4.1551 8.1393 120.0697 55.1766 18.2905 179.2596 27 N 4.4624 8.2326 114.9609 56.3352 38.5498 177.6470 28 W 4.2404 8.0296 119.8752 60.0243 29.1086 178.3278 29 M 4.1396 8.5384 118.8984 58.6073 31.4463 177.9944 30 C 3.2032 8.2234 118.7695 59.0338 43.0635 175.3634 31 L 4.0031 8.2499 121.8091 58.2955 41.7707 178.8208 32 A 4.2672 8.3688 122.2493 54.3334 18.3755 179.4162 33 K 2.7691 8.1340 118.2323 59.3786 32.0427 179.1660 34 W 4.2421 7.7915 117.2745 59.0907 29.0412 178.4154 35 E 4.3304 8.4329 118.9505 58.6498 29.3595 177.7318 36 S 4.5227 7.8844 109.7101 56.6121 64.4942 174.6471 37 G 3.6730 7.9839 108.6844 46.8077 0.0000 173.1174 38 Y 3.5799 7.6584 113.7525 58.8417 34.9807 168.7237 39 N 5.3036 7.5385 119.0785 51.9238 39.9265 175.4073 40 T 4.0560 8.7708 117.4577 64.1491 69.1434 176.3298 41 R 4.2629 8.1653 119.4926 56.8050 30.7948 176.5659 42 A 4.3082 7.6647 121.9130 52.5418 19.2601 176.7491 43 T 5.0055 8.3723 111.2907 60.0008 72.5047 173.0878 44 N 4.8631 8.7733 121.9106 52.1737 41.8078 172.4448 45 Y 4.7083 8.7024 128.1097 57.4228 40.7869 173.9976 46 N 4.5856 8.6384 124.5799 51.0036 38.3811 175.1331 47 A 3.5874 8.1629 126.9639 54.7505 19.0239 179.3936 48 G 3.7615 8.1224 104.1708 48.2422 0.0000 173.9381 49 D 4.7442 7.6388 116.5940 52.0528 39.9730 176.3103 50 R 3.8381 8.2481 116.2129 57.1124 28.1503 175.8291 51 S 4.9718 7.2244 109.1468 57.0682 66.4415 172.7264 52 T 5.0784 9.0378 116.0845 61.9698 72.7910 172.8546 53 D 5.4196 9.0083 125.3272 53.2890 43.1299 175.1278 54 Y 5.0440 9.1517 120.7825 57.4628 41.8801 177.2954 55 G 4.1029 9.0533 111.6566 45.2873 0.0000 173.5790 56 I 4.1135 8.0531 116.3813 62.8573 37.9129 177.6699 57 F 4.8891 7.9218 115.6601 56.4322 40.0377 175.1611 58 Q 3.5877 7.8817 119.2903 57.0873 26.5457 174.0437 59 I 4.3817 8.1982 119.0268 61.0319 39.3165 176.9368 60 N 5.3584 9.1711 126.0429 53.4267 39.7198 175.8388 61 S 4.6399 9.1269 120.5034 60.5010 63.3729 175.4440 62 R 3.7897 9.0348 122.4564 58.8666 30.3663 177.7921 63 Y 4.4418 7.8315 113.3762 56.9430 40.4857 176.5734 64 W 5.0850 8.1110 118.9261 57.5213 31.3907 173.8487 65 C 5.5560 8.0904 112.2975 53.7464 46.5243 172.4863 66 N 4.9629 8.8788 119.5783 52.2776 39.9362 174.8722 67 D 4.7708 8.7858 124.0181 52.2563 40.3275 178.0268 68 G 4.0361 8.6028 107.3602 46.2677 0.0000 174.5880 69 K 4.5450 8.0805 117.1737 56.4953 32.9272 175.6027 70 T 4.5328 7.7886 115.9962 61.2979 70.0474 172.4975 71 P 4.1313 0.0000 0.0000 64.5541 31.7759 176.5034 72 G 4.0717 8.7582 109.2986 46.0819 0.0000 173.0479 73 A 4.3184 7.3275 120.6017 51.3393 19.6675 177.4276 74 V 4.3655 8.5056 112.1923 59.3833 35.9252 176.1815 75 N 4.9045 8.0554 117.0952 51.7711 37.6181 174.3073 76 A 3.9305 9.0199 125.4655 55.1028 19.0820 178.7560 77 C 4.5177 8.5696 111.2433 57.7066 41.0354 173.0999 78 H 4.0515 7.8050 116.1948 56.7887 26.3798 174.1058 79 L 4.8614 8.0895 117.5110 52.8264 46.3277 176.7141 80 S 4.7366 8.3095 115.0418 57.9122 63.3293 176.0305 81 C 4.0539 8.6046 123.9360 59.6838 40.6428 176.3730 82 S 3.9014 7.8554 114.8648 61.3243 61.6645 175.9716 83 A 4.0663 7.8476 122.2960 54.3382 17.7663 177.8833 84 L 4.4941 7.7702 116.7780 54.8929 41.7118 177.5536 85 L 5.4299 7.7976 116.3452 53.6342 42.5036 176.7625 86 Q 4.3679 7.8037 117.6499 55.3487 29.5580 175.9933 87 D 4.3816 8.5406 120.1433 57.0968 41.1286 176.5776 88 N 4.5864 8.0156 118.1686 53.0733 38.9876 174.6245 89 I 4.1786 8.4676 119.1096 61.1073 37.9338 176.9837 90 A 3.9395 8.2976 124.7138 55.9866 18.2095 180.0469 91 D 4.2864 8.0778 116.4513 57.4490 40.8944 178.7226 92 A 4.1224 7.9749 120.8765 55.0695 18.3335 179.7622 93 V 3.4030 8.2909 117.1000 66.0092 31.6068 178.1041 94 A 3.8203 8.0406 120.6117 55.2825 18.0907 178.8578 95 C 4.2365 8.3577 116.7642 59.6876 39.6778 175.5804 96 A 3.9514 8.2734 122.8114 55.0862 17.5987 179.7974 97 K 3.7393 7.7570 116.4322 59.3653 32.4258 179.1720 98 R 4.0892 7.8033 119.0365 59.3521 30.0130 178.5437 99 V 2.5313 7.6584 118.1851 65.8728 30.9941 178.0870 100 V 3.8774 7.7365 110.0634 62.7982 31.2444 177.8893 101 R 4.2749 7.6732 117.1000 56.8830 30.5276 176.3714 102 D 4.7292 7.5581 119.7853 52.5559 41.9709 175.3752 103 P 4.2027 0.0000 0.0000 66.3713 31.0158 177.8840 104 Q 4.0073 8.1834 117.7728 56.2540 29.9583 177.4164 105 G 3.6764 7.9081 107.0718 46.8488 0.0000 176.3067 106 I 3.4496 7.8298 120.3832 63.6297 37.8697 177.7254 107 R 4.2274 7.2535 117.0831 57.4691 29.9526 177.3996 108 A 4.0374 7.7011 121.6185 54.3803 18.6256 177.8848 109 W 4.6144 8.0658 117.2382 55.5724 29.5943 177.5999 110 V 3.7633 8.6949 123.8288 65.9120 30.8698 177.6492 111 A 4.0680 8.2755 120.3237 54.6776 18.1608 179.2197 112 W 4.0053 8.3798 127.0832 60.6467 30.5815 178.3745 113 R 3.7805 8.2735 116.4125 59.4242 29.6613 178.3673 114 N 4.3560 8.0885 114.8922 55.6423 38.6701 176.8373 115 R 4.0589 7.8552 116.5139 55.9152 31.5921 176.1171 116 C 4.5560 7.7205 115.3025 57.7675 42.6802 174.4276 117 Q 3.2370 6.4995 119.0762 57.3051 28.6814 175.4905 118 N 4.1896 8.6022 121.2178 54.5344 36.2804 173.9723 119 R 4.5495 7.3348 114.1008 54.0650 33.4977 176.0080 120 D 4.5254 8.4454 119.4966 54.1920 40.0661 176.0029 121 V 4.4271 8.1114 118.2117 61.0420 32.5182 178.4430 122 R 4.0143 8.0203 121.7527 59.2806 30.0098 178.8779 123 Q 4.0110 8.0257 114.4181 59.1092 28.4038 177.6241 124 Y 4.3671 7.7602 115.9506 60.2050 38.2738 176.8190 125 V 4.3645 7.9691 110.7964 60.7542 32.7575 175.5658 126 Q 4.1769 8.0030 120.2494 57.2463 28.8322 176.7833 127 G 3.9314 8.8806 110.0633 46.2054 0.0000 174.5448 128 C 4.4617 8.0810 115.5266 56.3981 40.6386 173.8472 129 G 3.8586 8.0526 107.2622 46.9150 0.0000 174.2206 130 V 4.0062 7.9207 117.9013 61.0773 32.0216 175.9606 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 K 8.17 4.18 0.00 1.97 1.63 0.00 1.23 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.16 7.81 2 L 8.31 4.94 0.00 1.63 1.63 0.97 0.62 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 3 F 9.94 4.28 0.00 2.80 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 4 E 8.95 4.21 0.00 1.96 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 2.29 2.37 0.00 5 R 8.96 3.28 0.00 1.94 1.89 0.00 3.48 0.00 0.00 3.50 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 6 C 8.01 4.32 0.00 3.00 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 7 E 8.09 3.90 0.00 2.05 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 0.00 2.58 2.41 0.00 8 L 8.05 3.62 0.00 1.39 1.38 -0.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.88 3.94 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 10 R 8.03 3.90 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.91 3.85 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 12 L 8.17 3.86 0.00 1.74 1.59 0.93 0.36 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 13 K 8.18 3.93 0.00 1.93 1.93 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.04 4.01 0.00 2.05 1.97 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.38 4.37 0.00 1.63 1.57 0.88 1.05 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 16 G 7.87 3.85 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 0.00 0.00 0.00 17 M 7.70 3.98 0.00 1.31 1.97 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 18 D 8.05 4.59 0.00 2.69 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 19 G 9.35 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 0.00 0.00 0.00 20 Y 8.40 4.26 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 21 R 8.95 3.62 0.00 1.89 1.84 0.00 3.35 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.41 0.00 22 G 8.17 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 23 I 7.59 4.05 1.70 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 0.88 0.87 -0.22 0.00 0.00 24 S 8.33 4.66 0.00 4.07 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 25 L 8.98 4.24 0.00 1.90 1.82 0.99 1.09 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 26 A 8.14 4.16 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 27 N 8.23 4.46 0.00 2.85 2.79 0.00 0.00 6.94 7.26 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 28 W 8.03 4.24 0.00 3.56 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 29 M 8.54 4.14 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 30 C 8.22 3.20 0.00 2.76 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 31 L 8.25 4.00 0.00 1.87 1.87 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.37 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 2.77 0.00 1.57 1.52 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.81 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.03 0.34 7.81 34 W 7.79 4.24 0.00 3.43 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 35 E 8.43 4.33 0.00 2.13 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 0.00 2.59 2.42 0.00 36 S 7.88 4.52 0.00 4.07 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 0.00 37 G 7.98 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 38 Y 7.66 3.58 0.00 3.25 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 39 N 7.54 5.30 0.00 2.92 2.83 0.00 0.00 7.02 7.10 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 40 T 8.77 4.06 4.45 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 1.46 0.00 0.00 41 R 8.17 4.26 0.00 2.06 2.04 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 42 A 7.66 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 5.01 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 1.30 0.00 0.00 44 N 8.77 4.86 0.00 2.90 2.74 0.00 0.00 6.80 7.68 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 45 Y 8.70 4.71 0.00 2.97 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 46 N 8.64 4.59 0.00 2.58 2.58 0.00 0.00 6.65 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 47 A 8.16 3.59 1.31 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 0.00 0.00 0.00 48 G 8.12 3.76 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 0.00 0.00 0.00 49 D 7.64 4.74 0.00 2.74 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 50 R 8.25 3.84 0.00 2.03 2.20 0.00 3.12 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 51 S 7.22 4.97 0.00 3.97 3.92 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 52 T 9.04 5.08 4.13 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 0.65 0.00 0.00 53 D 9.01 5.42 0.00 2.67 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 54 Y 9.15 5.04 0.00 2.93 2.88 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 55 G 9.05 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 56 I 8.05 4.11 1.66 0.00 0.00 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 0.92 1.40 0.08 0.00 0.00 57 F 7.92 4.89 0.00 3.20 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 58 Q 7.88 3.59 0.00 2.53 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.73 0.00 59 I 8.20 4.38 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 1.13 0.00 0.00 60 N 9.17 5.36 0.00 3.08 3.02 0.00 0.00 6.97 7.29 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 61 S 9.13 4.64 0.00 4.07 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 0.00 62 R 9.03 3.79 0.00 1.60 1.44 0.00 2.70 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 63 Y 7.83 4.44 0.00 1.51 1.88 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 64 W 8.11 5.09 0.00 3.46 3.30 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 65 C 8.09 5.56 0.00 3.04 3.19 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 66 N 8.88 4.96 0.00 2.87 2.71 0.00 0.00 7.01 7.95 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 67 D 8.79 4.77 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.60 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 0.00 0.00 0.00 69 K 8.08 4.54 0.00 1.83 1.87 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.45 7.81 70 T 7.79 4.53 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 71 P 0.00 4.13 0.00 2.14 1.98 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 72 G 8.76 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 73 A 7.33 4.32 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 74 V 8.51 4.37 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 75 N 8.06 4.90 0.00 2.75 2.57 0.00 0.00 6.76 8.56 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 76 A 9.02 3.93 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 77 C 8.57 4.52 0.00 3.29 3.25 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 78 H 7.81 4.05 0.00 3.33 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.09 4.86 0.00 1.69 1.50 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.31 4.74 0.00 3.83 3.68 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 81 C 8.60 4.05 0.00 2.27 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 82 S 7.86 3.90 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.85 4.07 1.38 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 0.00 0.00 84 L 7.77 4.49 0.00 1.91 1.80 1.06 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.80 5.43 0.00 1.77 1.70 1.13 1.06 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 86 Q 7.80 4.37 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.54 4.38 0.00 2.62 2.66 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 88 N 8.02 4.59 0.00 2.69 2.76 0.00 0.00 6.98 7.94 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 89 I 8.47 4.18 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.92 0.00 0.00 90 A 8.30 3.94 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 91 D 8.08 4.29 0.00 2.75 2.74 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 0.00 0.00 0.00 0.00 92 A 7.97 4.12 1.38 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 0.00 0.00 93 V 8.29 3.40 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 0.80 0.00 0.00 0.91 0.00 0.00 94 A 8.04 3.82 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 95 C 8.36 4.24 0.00 3.18 3.31 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 0.00 96 A 8.27 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.76 3.74 0.00 1.58 1.27 0.00 1.28 0.00 0.00 0.67 0.00 0.00 2.53 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.97 7.81 98 R 7.80 4.09 0.00 2.01 2.19 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 99 V 7.66 2.53 1.78 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 -0.29 0.00 0.00 -0.66 0.00 0.00 100 V 7.74 3.88 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 1.20 0.00 0.00 1.42 0.00 0.00 101 R 7.67 4.27 0.00 2.08 2.05 0.00 3.25 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.15 0.00 102 D 7.56 4.73 0.00 3.04 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.15 2.21 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 104 Q 8.18 4.01 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.91 3.68 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 0.00 0.00 0.00 106 I 7.83 3.45 1.01 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.67 0.00 0.00 107 R 7.25 4.23 0.00 2.00 2.02 0.00 3.22 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 108 A 7.70 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.07 4.61 0.00 3.50 3.27 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 0.00 110 V 8.69 3.76 2.18 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 1.12 0.00 0.00 1.00 0.00 0.00 111 A 8.28 4.07 1.53 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 0.00 112 W 8.38 4.01 0.00 3.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.78 0.00 2.07 2.01 0.00 3.35 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 114 N 8.09 4.36 0.00 2.67 2.71 0.00 0.00 6.96 7.21 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 0.00 115 R 7.86 4.06 0.00 1.24 0.71 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.04 0.00 116 C 7.72 4.56 0.00 1.53 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 0.00 117 Q 6.50 3.24 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 118 N 8.60 4.19 0.00 2.78 2.81 0.00 0.00 6.85 7.66 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 0.00 119 R 7.33 4.55 0.00 1.77 1.76 0.00 3.23 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 120 D 8.45 4.53 0.00 2.63 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 0.00 121 V 8.11 4.43 2.46 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 0.85 0.00 0.00 1.06 0.00 0.00 122 R 8.02 4.01 0.00 2.02 2.00 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 123 Q 8.03 4.01 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.11 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 124 Y 7.76 4.37 0.00 3.28 3.14 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 0.00 125 V 7.97 4.36 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 0.99 0.00 0.00 1.06 0.00 0.00 126 Q 8.00 4.18 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 127 G 8.88 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 0.00 0.00 0.00 128 C 8.08 4.46 0.00 3.09 3.14 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 0.00 129 G 8.05 3.86 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 0.00 0.00 0.00 130 V 7.92 4.01 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 0.76 0.00 0.00 0.97 0.00 0.00