NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4495 8.1633 118.1926 55.3470 32.2470 176.4943 2 D 4.3581 7.9096 118.5236 57.1320 41.6421 176.7116 3 A 4.0424 8.1162 120.2727 53.2233 19.6933 176.8961 4 V 3.9335 7.6306 116.8911 61.0793 31.4842 176.4651 5 A 4.0123 8.5354 131.7741 55.2325 18.6858 178.9641 6 V 3.9810 7.6787 107.1055 62.3879 32.2606 174.9447 7 Y 4.9085 8.0626 123.4511 57.2974 38.9781 173.8363 8 H 4.5646 8.8291 125.9949 53.9962 28.5821 175.0454 9 G 3.4315 7.5667 111.5529 45.9384 0.0000 172.2346 10 K 4.5076 7.7086 117.3634 55.6972 33.4602 175.7748 11 I 4.3050 7.0435 112.6383 59.4428 39.3587 176.2392 12 S 4.5329 8.1226 117.3006 57.3242 65.5758 175.2632 13 R 3.8450 8.3628 121.5115 59.5438 29.7030 177.9179 14 E 3.8908 8.1445 118.5391 59.6798 29.6506 178.8071 15 T 3.9294 8.1343 115.8049 66.4497 68.6441 176.6652 16 G 3.7326 8.4432 108.0805 48.0946 0.0000 175.4058 17 E 3.9880 8.4524 121.6164 59.0618 29.4974 179.7466 18 K 3.9878 8.2232 118.4971 59.2488 31.8262 179.4695 19 L 3.9763 7.7686 118.5699 57.7080 41.7561 179.3205 20 L 4.1444 7.7860 118.4609 57.8984 41.6181 179.5148 21 L 3.9441 8.3043 119.0625 57.7263 41.3066 179.3658 22 A 4.0573 7.8557 119.8046 54.7006 18.3060 179.1857 23 T 4.0748 8.0491 107.9427 62.2145 69.0464 175.3148 24 G 3.9046 7.9298 108.6977 45.8801 0.0000 172.9424 25 L 4.5172 7.5146 120.3314 52.4037 43.9023 175.3717 26 D 4.8076 8.7253 126.5085 56.3009 41.3693 177.3243 27 G 4.2151 9.6125 112.4471 45.0840 0.0000 173.4582 28 S 5.2744 8.1868 116.8202 58.9462 64.0457 172.9905 29 Y 5.5947 8.7459 121.0269 55.9677 41.9793 173.3714 30 L 5.0288 8.9594 119.6208 54.8362 44.8232 173.7487 31 L 5.4833 8.8987 120.8000 53.4698 45.2035 175.2081 32 R 5.3895 8.9896 120.6373 54.7993 33.6782 173.6717 33 D 5.0007 8.8015 118.9019 53.9977 41.6419 176.7729 34 S 4.3252 8.8484 117.8536 58.2853 63.0128 173.6917 35 E 4.6182 8.7494 122.8850 56.1315 29.7876 176.4079 36 S 4.4697 8.0065 115.4981 58.7147 65.6109 173.7922 37 V 4.2020 7.8466 119.7731 59.7880 31.9663 172.6301 38 P 4.3640 0.0000 0.0000 64.2147 31.5447 177.3990 39 G 3.8222 8.9303 110.9004 44.9158 0.0000 173.0341 40 V 4.2980 7.3120 119.5111 61.4935 34.4641 173.9374 41 Y 5.2836 8.9434 121.7804 56.4113 42.1531 174.5119 42 C 5.2901 9.5845 117.6336 58.1762 32.1436 173.2257 43 L 5.0022 9.1823 127.4281 54.2755 43.2826 174.8551 44 C 5.5812 9.3271 124.9654 57.9548 31.1212 173.5307 45 V 5.1867 8.9827 122.9547 59.7728 34.8606 174.4101 46 L 4.8211 8.9418 126.5347 55.1644 43.6195 174.9914 47 Y 5.0521 9.4670 127.6194 56.5841 41.9574 174.6888 48 H 3.9306 10.1007 126.9912 56.9455 26.7620 175.9636 49 G 4.0138 8.4144 105.4445 45.4481 0.0000 172.4996 50 Y 4.4104 8.0501 116.7747 56.0716 40.6378 174.8798 51 I 4.7880 7.8738 123.1599 59.8912 38.5107 174.7910 52 Y 4.0553 9.1428 126.7552 57.8468 38.9032 175.1131 53 T 5.0869 8.2734 120.6403 61.8614 71.8069 172.8781 54 Y 4.5686 9.0770 124.3295 55.9736 40.7355 175.4536 55 R 4.6621 8.6805 124.1360 56.1421 31.7967 175.7366 56 V 5.0619 9.2909 123.3425 61.3570 34.6151 174.4448 57 S 5.2735 9.2983 122.9421 56.8532 66.9747 172.6582 58 Q 4.3673 8.3913 123.6145 54.5797 30.2553 175.5007 59 T 4.2528 8.7198 116.4084 60.6208 69.8530 175.5324 60 E 4.0295 8.6759 120.6807 58.6044 29.4511 177.5681 61 T 4.3658 7.9861 107.7605 61.2393 69.3559 174.7520 62 G 3.8110 8.5531 111.7255 45.0932 0.0000 173.8544 63 S 4.8284 8.7785 116.2371 57.1767 65.8112 172.8613 64 W 5.6071 9.7648 119.5915 55.2404 32.6235 175.2268 65 S 5.1352 9.2958 116.0291 57.2277 66.3093 172.5353 66 A 5.2273 8.4804 122.1612 49.8699 21.0730 176.3919 67 E 3.9854 9.0856 121.7927 57.3756 30.1141 176.7863 68 T 4.6732 8.3729 121.7542 61.2549 72.1467 173.8190 69 A 4.2148 8.3839 127.5120 51.1637 19.2057 175.2617 70 P 4.2123 0.0000 0.0000 64.2843 31.7585 177.0180 71 G 3.9173 8.9962 109.8132 45.8221 0.0000 172.9576 72 V 4.3859 7.2649 118.2882 60.3393 33.9230 174.9125 73 H 4.2460 8.8045 126.7152 55.9692 30.1521 174.5191 74 K 4.0776 8.4334 128.4551 55.9907 32.8181 175.8456 75 R 4.3628 8.2069 124.8109 54.8346 31.6552 175.2894 76 Y 4.8590 8.0528 118.9642 56.2497 40.6572 175.2092 77 F 4.9909 9.2342 120.4392 55.7388 42.9837 176.4918 78 R 4.0527 9.2053 124.2237 58.7592 30.5085 177.1725 79 K 4.7879 7.8802 116.4299 54.2904 34.5256 177.1562 80 I 3.1876 7.9657 122.3045 63.7420 37.6496 178.4302 81 K 3.8500 7.7819 119.2716 59.7598 32.3497 178.8917 82 N 4.2399 7.8934 117.7264 55.9542 38.4612 177.0665 83 L 2.0000 7.4206 121.1810 57.6038 41.9513 178.9670 84 I 3.6216 7.5171 118.9433 64.4167 37.2064 178.2729 85 S 4.3110 8.2703 116.2017 61.3470 62.5807 176.5181 86 A 3.7788 7.6917 123.4729 55.0411 18.1487 178.9648 87 F 4.3471 7.4888 113.3177 58.3112 38.9213 177.2997 88 Q 4.2754 7.3558 119.0005 55.7912 28.9995 176.2890 89 K 4.2998 6.9932 119.4278 54.6457 33.1843 175.1139 90 P 4.2359 0.0000 0.0000 63.5591 32.3383 175.7530 91 D 4.2957 8.4630 118.0487 56.1832 38.8844 173.7422 92 Q 4.4305 8.1736 113.8533 55.8025 29.9545 176.9730 93 G 3.9552 8.5932 105.9427 45.2402 0.0000 173.0220 94 I 4.5133 7.1440 111.5711 57.9447 40.3542 175.9439 95 V 3.4896 8.0671 120.0927 64.2773 31.1996 176.4764 96 I 4.4806 6.9990 117.1053 58.2624 40.8600 172.3194 97 P 4.4372 0.0000 0.0000 62.1410 31.6923 176.2749 98 L 3.8537 8.3274 121.4681 55.4720 41.5970 177.3614 99 Q 4.0612 9.5323 122.6205 56.5891 31.9388 175.3119 100 Y 4.7149 7.9134 117.4324 55.2602 40.5384 173.4136 101 P 3.4321 0.0000 0.0000 62.0746 32.2938 176.6346 102 V 4.0815 8.0347 125.1508 61.7006 31.7303 174.8046 103 E 4.7775 8.4267 127.0637 54.0367 31.9265 176.7016 104 K 3.8872 8.5457 120.5368 57.0903 32.1061 177.0782 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 4.45 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 2 D 7.91 4.36 0.00 2.82 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 A 8.12 4.04 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 4 V 7.63 3.93 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 0.88 0.00 0.00 0.76 0.00 0.00 5 A 8.54 4.01 1.29 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 0.00 0.00 6 V 7.68 3.98 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 0.58 0.00 0.00 1.02 0.00 0.00 7 Y 8.06 4.91 0.00 2.89 2.98 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 8 H 8.83 4.56 0.00 3.12 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.57 3.43 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 0.00 10 K 7.71 4.51 0.00 1.66 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 11 I 7.04 4.31 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 0.89 0.00 0.00 12 S 8.12 4.53 0.00 4.06 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 13 R 8.36 3.84 0.00 1.85 2.10 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 14 E 8.14 3.89 0.00 2.05 1.92 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 2.35 2.38 0.00 15 T 8.13 3.93 4.35 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 1.19 0.00 0.00 16 G 8.44 3.73 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 0.00 0.00 0.00 17 E 8.45 3.99 0.00 2.09 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 2.29 2.61 0.00 18 K 8.22 3.99 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.66 7.81 19 L 7.77 3.98 0.00 1.72 1.67 0.81 0.77 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 20 L 7.79 4.14 0.00 1.74 1.75 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.30 3.94 0.00 1.68 1.69 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.86 4.06 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 23 T 8.05 4.07 4.19 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 1.26 0.00 0.00 24 G 7.93 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 25 L 7.51 4.52 0.00 1.65 1.38 0.77 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.73 4.81 0.00 2.84 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 27 G 9.61 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 28 S 8.19 5.27 0.00 3.95 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 29 Y 8.75 5.59 0.00 3.24 3.02 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 30 L 8.96 5.03 0.00 1.92 1.71 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.90 5.48 0.00 1.87 1.70 1.00 0.40 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 32 R 8.99 5.39 0.00 1.94 2.03 0.00 2.85 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 33 D 8.80 5.00 0.00 2.67 2.67 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 34 S 8.85 4.33 0.00 3.86 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 35 E 8.75 4.62 0.00 2.10 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 2.20 2.30 0.00 36 S 8.01 4.47 0.00 3.83 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 37 V 7.85 4.20 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 0.99 0.00 0.00 0.93 0.00 0.00 38 P 0.00 4.36 0.00 2.06 1.97 0.00 3.72 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 39 G 8.93 3.82 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 0.00 0.00 0.00 40 V 7.31 4.30 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 1.09 0.00 0.00 0.93 0.00 0.00 41 Y 8.94 5.28 0.00 3.22 3.03 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 42 C 9.58 5.29 0.00 2.87 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 43 L 9.18 5.00 0.00 1.79 1.75 0.98 0.47 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 44 C 9.33 5.58 0.00 2.96 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 45 V 8.98 5.19 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 1.01 0.00 0.00 1.15 0.00 0.00 46 L 8.94 4.82 0.00 1.94 1.73 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 9.47 5.05 0.00 3.06 2.96 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 0.00 0.00 0.00 48 H 10.10 3.93 0.00 2.93 3.18 0.00 5.75 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 49 G 8.41 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 50 Y 8.05 4.41 0.00 3.19 2.51 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 51 I 7.87 4.79 1.83 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 1.35 0.49 0.95 0.00 0.00 52 Y 9.14 4.06 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 5.09 4.16 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 1.23 0.00 0.00 54 Y 9.08 4.57 0.00 2.80 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 55 R 8.68 4.66 0.00 1.81 1.90 0.00 3.08 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 56 V 9.29 5.06 2.30 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 1.42 0.00 0.00 1.08 0.00 0.00 57 S 9.30 5.27 0.00 3.86 3.73 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 58 Q 8.39 4.37 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 1.76 1.24 0.00 59 T 8.72 4.25 4.16 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 1.31 0.00 0.00 60 E 8.68 4.03 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 2.23 2.27 0.00 61 T 7.99 4.37 4.18 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 1.16 0.00 0.00 62 G 8.55 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 63 S 8.78 4.83 0.00 4.16 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 64 W 9.76 5.61 0.00 3.39 3.23 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 65 S 9.30 5.14 0.00 3.53 3.23 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 66 A 8.48 5.23 1.17 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 0.00 0.00 0.00 0.00 0.00 67 E 9.09 3.99 0.00 2.12 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 2.36 2.36 0.00 68 T 8.37 4.67 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 1.28 0.00 0.00 69 A 8.38 4.21 1.29 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 0.00 0.00 70 P 0.00 4.21 0.00 2.06 2.03 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 71 G 9.00 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 0.00 0.00 0.00 72 V 7.26 4.39 2.25 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 0.84 0.00 0.00 0.96 0.00 0.00 73 H 8.80 4.25 0.00 3.13 3.24 0.00 5.97 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.43 4.08 0.00 1.70 1.64 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.68 1.22 7.81 75 R 8.21 4.36 0.00 1.79 1.31 0.00 3.19 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 76 Y 8.05 4.86 0.00 2.86 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 77 F 9.23 4.99 0.00 3.20 2.94 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 78 R 9.21 4.05 0.00 1.92 2.10 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 79 K 7.88 4.79 0.00 1.92 1.69 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.37 7.81 80 I 7.97 3.19 0.56 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.46 0.00 0.00 81 K 7.78 3.85 0.00 1.96 1.97 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 82 N 7.89 4.24 0.00 3.06 3.00 0.00 0.00 6.52 6.46 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 83 L 7.42 2.00 0.00 1.32 1.56 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.52 3.62 1.77 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 1.45 0.64 0.89 0.00 0.00 85 S 8.27 4.31 0.00 3.84 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 86 A 7.69 3.78 0.82 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 0.00 0.00 87 F 7.49 4.35 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.36 4.28 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 89 K 6.99 4.30 0.00 1.74 1.66 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.39 7.81 90 P 0.00 4.24 0.00 2.01 1.95 0.00 3.79 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 2.00 2.03 0.00 91 D 8.46 4.30 0.00 2.76 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 92 Q 8.17 4.43 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 93 G 8.59 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.14 4.51 1.23 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 1.40 0.76 -0.14 0.00 0.00 95 V 8.07 3.49 1.62 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 0.47 0.00 0.00 -0.17 0.00 0.00 96 I 7.00 4.48 1.83 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 1.02 0.00 0.00 97 P 0.00 4.44 0.00 2.02 2.01 0.00 3.72 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 1.99 2.06 0.00 98 L 8.33 3.85 0.00 1.08 0.13 0.46 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.53 4.06 0.00 1.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 100 Y 7.91 4.71 0.00 3.03 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 0.00 101 P 0.00 3.43 0.00 1.77 1.66 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 102 V 8.03 4.08 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 0.71 0.00 0.00 0.89 0.00 0.00 103 E 8.43 4.78 0.00 1.85 1.81 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 2.17 2.25 0.00 104 K 8.55 3.89 0.00 1.63 1.65 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.46 7.81