NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2881 8.3044 120.3479 55.2525 33.3004 175.1154 2 L 4.1169 8.0819 122.6912 52.7745 40.7703 174.1340 3 T 3.8865 8.6215 120.2401 64.2466 68.5616 173.8473 4 D 4.6118 7.6592 121.7421 50.7521 42.8224 173.2748 5 P 4.2169 0.0000 0.0000 65.5196 31.5168 178.3244 6 I 3.5433 7.7809 117.6412 64.3893 37.1906 178.2871 7 A 3.9590 9.1599 122.1774 54.9601 18.1008 179.1153 8 D 4.2296 8.3612 117.2449 57.6484 41.2592 178.2840 9 M 3.9403 7.8542 118.7166 58.5972 32.2865 178.2281 10 L 3.9096 7.7633 119.1159 57.8907 41.5227 179.8021 11 T 3.7961 7.7672 115.6186 66.5630 68.4415 176.8265 12 R 3.9867 7.9842 120.0783 59.5300 30.0838 179.1448 13 I 3.6035 7.6936 119.0782 64.3297 37.2165 178.4079 14 R 3.7557 8.1963 119.8503 59.4472 29.5786 178.2516 15 N 4.2453 9.0433 117.0553 56.2561 38.6069 177.2692 16 A 3.9659 8.3439 122.7293 55.4046 18.4693 179.7002 17 T 4.1747 7.9200 109.7165 64.6054 68.4832 176.7331 18 R 3.8527 7.6534 119.0279 57.8265 30.0477 177.7337 19 V 4.3137 6.6635 109.6415 60.5519 32.2368 174.9541 20 Y 3.0790 7.6351 116.6560 58.6837 35.3944 170.5038 21 K 4.2007 7.9651 117.9955 56.5859 33.0379 177.4722 22 E 4.2595 8.8526 122.9872 59.0234 30.4229 176.5217 23 S 5.0234 8.1041 113.6356 58.1477 64.4356 171.7473 24 T 4.5480 7.5762 122.4227 62.3530 69.2908 171.7382 25 D 5.4184 8.1558 128.9583 53.4222 43.0172 176.4253 26 V 4.5509 8.3295 114.1286 59.0646 36.3445 172.7515 27 P 3.4081 0.0000 0.0000 62.8757 31.5937 175.9644 28 A 4.3250 8.0004 126.5801 51.8908 19.3836 177.1529 29 S 4.5510 8.4175 114.3484 55.7650 66.2581 174.8032 30 R 3.9066 8.9655 123.7571 59.8199 29.8443 178.4878 31 F 4.4665 8.3688 119.2727 61.7833 39.3119 177.2862 32 K 3.6333 8.3983 118.1440 59.2507 31.7536 179.0046 33 E 3.5882 8.2425 119.7013 59.0491 29.0508 178.5881 34 E 3.9910 8.2140 118.7848 59.4520 29.5351 179.5328 35 I 3.4556 7.3310 119.5584 64.4216 37.1341 178.3020 36 L 3.8405 7.6189 119.7105 57.8460 41.2866 179.7005 37 R 4.1038 7.8607 117.8773 59.5925 29.9828 179.1442 38 I 3.7702 7.3256 118.8638 64.3967 37.1710 178.1888 39 L 4.0619 7.9958 119.6557 58.1501 41.2646 179.5710 40 A 4.2334 8.3486 121.8041 54.5549 18.2500 179.2660 41 R 4.0203 7.8683 116.4274 59.8333 30.0724 177.6118 42 E 4.0510 8.9616 113.8680 56.6446 29.2334 177.2305 43 G 3.8031 8.8794 108.0103 46.4844 0.0000 175.1420 44 F 4.6110 8.6050 120.4990 58.2523 39.2806 176.3744 45 I 4.7193 7.4444 113.2286 58.5288 40.3618 175.9347 46 K 3.8102 8.5153 123.3216 58.5452 32.3569 177.4407 47 G 4.1676 7.1599 104.1812 44.7433 0.0000 170.2735 48 Y 5.5529 7.5315 117.4872 56.4545 41.2571 173.8378 49 E 4.6460 9.2256 116.1205 54.8758 33.1492 175.0637 50 R 4.6465 8.6482 121.2026 57.2131 31.0380 175.8798 51 V 4.5056 8.7346 120.2979 62.2094 35.8570 172.0513 52 D 5.4505 8.7091 124.0570 52.6416 43.1594 175.8466 53 V 3.9389 8.8755 124.8325 61.8114 32.5050 174.9984 54 D 4.3838 9.8776 125.0732 55.1731 39.5645 173.7832 55 G 4.0961 8.5460 106.6073 44.7174 0.0000 174.3767 56 K 4.6194 7.9436 119.2075 53.8311 34.0636 174.0002 57 P 4.9753 0.0000 0.0000 63.6697 32.4772 174.7852 58 Y 5.0881 9.4589 120.0523 56.5767 43.4042 173.8157 59 L 5.2634 8.9766 120.2732 53.0044 44.8623 176.6318 60 R 4.1652 9.2328 124.9170 55.9939 31.5494 175.9648 61 V 4.5333 8.7016 124.3949 61.2668 33.9805 174.3152 62 Y 4.5863 9.0312 127.8829 57.1074 38.3023 175.5497 63 L 4.3975 8.7243 125.1653 54.4854 42.6790 176.8620 64 K 4.6219 7.8564 121.3470 55.0329 35.3292 174.5762 65 Y 4.8587 8.4381 122.4117 56.2613 43.1789 175.2876 66 G 4.0612 9.0160 110.1113 44.4954 0.0000 171.4648 67 P 4.6492 0.0000 0.0000 61.2348 32.8210 174.9592 68 R 4.1889 8.2728 118.7233 56.8913 30.7191 175.1833 69 R 4.7350 8.2701 122.1277 54.5955 33.5399 175.0075 70 Q 4.2874 8.5823 119.2735 55.3100 30.9182 177.1503 71 G 3.9190 8.5175 109.4091 44.2923 0.0000 171.6461 72 P 4.2656 0.0000 0.0000 63.6185 31.8196 174.8194 73 D 4.2523 8.4702 119.5722 54.6487 38.6103 171.3477 74 P 4.5088 0.0000 0.0000 62.5822 31.9440 177.0286 75 R 3.9791 7.7683 119.1732 56.0985 30.2053 175.0275 76 P 4.7915 0.0000 0.0000 62.1076 32.2758 175.8665 77 E 4.2912 8.8318 123.6704 56.2550 30.8640 176.4051 78 Q 4.6041 8.6297 124.5334 55.8761 29.6993 176.2766 79 V 3.9821 8.2131 119.4115 64.4957 32.1580 176.4861 80 I 4.3515 7.2489 120.9172 59.8596 35.7743 174.7260 81 H 4.3212 8.5624 121.5298 58.2321 29.5016 174.6624 82 H 4.2864 7.6050 117.9496 54.0572 33.7850 172.2086 83 I 4.7751 6.2738 125.5922 60.7588 39.4954 171.3734 84 R 4.4942 7.7381 128.5902 53.6041 32.7297 174.7085 85 R 3.7714 8.5653 126.4355 56.8951 30.4863 174.0340 86 I 4.4163 8.1153 122.2794 62.7630 39.3307 175.6230 87 S 4.2289 8.2099 118.5896 58.6079 63.0288 173.5490 88 K 4.6546 8.4238 124.5244 53.7898 36.2440 174.3467 89 P 4.1510 0.0000 0.0000 64.3617 31.9180 176.2698 90 G 3.8290 9.0894 107.3012 45.9453 0.0000 171.9970 91 R 3.7699 7.4408 118.5086 55.8056 31.0966 174.1482 92 R 4.0121 7.2886 118.5690 56.2843 31.3100 177.1158 93 V 4.1411 7.9355 120.4964 61.4587 34.2153 173.7707 94 Y 5.3981 8.4902 124.9752 56.3785 41.0562 175.6901 95 V 4.5844 8.3837 114.7736 59.4972 36.2752 175.9891 96 G 4.1447 9.2848 113.3309 44.6798 0.0000 175.2633 97 V 3.6498 8.2119 118.6777 63.7920 31.4330 177.3501 98 K 4.2397 7.9713 118.2573 57.3689 32.3818 176.8740 99 E 4.4738 8.0092 117.2633 55.7364 30.0333 175.8880 100 I 3.7659 7.6930 120.8384 60.4679 37.0024 174.1176 101 P 4.3511 0.0000 0.0000 63.2226 31.3328 176.6439 102 R 4.4226 8.0204 118.6394 53.9135 30.1030 175.3786 103 V 3.5640 8.0960 122.4412 64.1945 32.8617 176.3762 104 R 3.2106 9.1954 125.7162 58.4813 27.3810 175.9016 105 R 3.7917 8.9092 108.6854 57.0738 28.1724 176.2630 106 G 4.0685 8.5290 106.2932 45.1708 0.0000 176.0596 107 L 3.9427 7.9299 118.1673 55.8156 41.8537 176.4192 108 G 4.4865 7.4004 107.2677 43.5188 0.0000 171.0895 109 I 5.0217 9.1706 112.7389 59.1974 41.5598 174.0621 110 A 4.9551 8.4422 122.1726 51.1361 22.4916 175.3015 111 I 4.6166 8.4427 124.1318 60.2172 38.9854 175.4751 112 L 5.0750 8.9376 127.3334 53.0956 44.8236 175.6333 113 S 4.8929 9.0197 115.2575 57.1258 64.7065 173.0004 114 T 4.7588 8.7621 118.0599 59.4521 71.7150 175.4604 115 S 4.3059 8.7954 115.0271 59.7544 63.0120 174.6980 116 K 4.3160 7.9865 119.7084 56.2715 32.2554 175.7985 117 G 3.7679 8.4861 106.9056 44.0678 0.0000 172.5475 118 V 4.4493 8.0334 118.7369 62.3789 31.9438 175.2599 119 L 5.4417 8.8705 126.4630 51.9854 46.6671 175.9162 120 T 4.8558 8.4802 110.5821 60.7165 70.8137 175.5340 121 D 4.4110 8.7336 122.1765 56.9063 38.9805 179.2320 122 R 3.9030 7.9493 118.7960 58.9550 30.0837 178.4820 123 E 3.9453 8.0483 117.6294 59.4506 29.5044 179.3527 124 A 3.9773 8.3686 120.8821 55.2459 18.2813 179.4817 125 R 3.8418 7.8694 115.7646 60.1211 30.3363 177.7899 126 K 3.8529 8.4031 119.1317 59.7404 31.8530 177.7846 127 L 4.1774 8.3491 119.6155 54.8045 42.9244 177.3341 128 G 4.0391 8.0282 107.5493 46.4970 0.0000 172.5901 129 V 4.5698 7.9658 108.8606 59.6553 36.5190 175.3122 130 G 4.2267 9.3767 108.9192 44.9501 0.0000 171.7893 131 G 4.3151 8.1084 106.1757 43.6890 0.0000 171.3547 132 E 3.9635 8.6212 119.9198 57.0207 30.4775 176.6262 133 L 4.6770 9.1919 131.1073 53.3964 40.2592 176.2624 134 I 3.8166 7.8674 125.0054 63.4948 38.2368 175.4395 135 C 4.9806 7.8115 113.6183 57.9291 33.3434 171.0863 136 E 5.0067 8.4286 119.1308 55.2056 32.7940 174.9910 137 V 4.5487 8.4755 126.3107 60.7894 35.5730 175.1998 138 W 4.7597 7.7909 121.5505 57.3787 28.3085 174.0506 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 8.30 4.29 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.08 4.12 0.00 1.71 1.58 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.62 3.89 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 1.20 0.00 0.00 4 D 7.66 4.61 0.00 2.67 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 0.00 0.00 0.00 0.00 5 P 0.00 4.22 0.00 2.21 2.07 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 6 I 7.78 3.54 1.99 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.13 0.77 0.00 0.00 7 A 9.16 3.96 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 8 D 8.36 4.23 0.00 2.83 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 9 M 7.85 3.94 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 10 L 7.76 3.91 0.00 1.63 1.55 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.77 3.80 4.38 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 1.16 0.00 0.00 12 R 7.98 3.99 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 13 I 7.69 3.60 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.80 0.00 0.00 14 R 8.20 3.76 0.00 1.79 1.95 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 15 N 9.04 4.25 0.00 2.82 2.82 0.00 0.00 6.95 7.42 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 16 A 8.34 3.97 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 17 T 7.92 4.17 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 1.20 0.00 0.00 18 R 7.65 3.85 0.00 1.88 1.98 0.00 3.03 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 19 V 6.66 4.31 2.12 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 0.72 0.00 0.00 1.01 0.00 0.00 20 Y 7.64 3.08 0.00 2.95 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.20 0.00 1.94 1.79 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.54 7.81 22 E 8.85 4.26 0.00 2.10 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 2.57 2.44 0.00 23 S 8.10 5.02 0.00 3.84 3.72 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 24 T 7.58 4.55 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 1.24 0.00 0.00 25 D 8.16 5.42 0.00 2.59 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 26 V 8.33 4.55 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 0.73 0.00 0.00 0.83 0.00 0.00 27 P 0.00 3.41 0.00 1.69 1.58 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 28 A 8.00 4.32 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 29 S 8.42 4.55 0.00 3.98 3.88 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 30 R 8.97 3.91 0.00 1.89 2.11 0.00 3.35 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 31 F 8.37 4.47 0.00 2.96 3.06 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 0.00 0.00 0.00 32 K 8.40 3.63 0.00 1.83 1.67 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.29 7.81 33 E 8.24 3.59 0.00 1.99 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 0.00 2.38 2.32 0.00 34 E 8.21 3.99 0.00 2.35 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 2.59 2.63 0.00 35 I 7.33 3.46 1.72 0.00 0.00 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 1.18 0.49 0.72 0.00 0.00 36 L 7.62 3.84 0.00 1.04 1.08 0.34 0.62 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 37 R 7.86 4.10 0.00 2.13 2.05 0.00 3.19 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 1.80 1.85 0.00 38 I 7.33 3.77 2.03 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 1.55 0.81 0.99 0.00 0.00 39 L 8.00 4.06 0.00 1.89 1.82 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.35 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.87 4.02 0.00 1.94 2.15 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 42 E 8.96 4.05 0.00 2.18 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 2.53 2.54 0.00 43 G 8.88 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 0.00 0.00 0.00 44 F 8.61 4.61 0.00 3.21 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 45 I 7.44 4.72 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 0.93 0.00 0.00 46 K 8.52 3.81 0.00 2.09 2.00 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.68 7.81 47 G 7.16 4.17 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 0.00 48 Y 7.53 5.55 0.00 3.18 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 49 E 9.23 4.65 0.00 2.05 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 0.00 2.62 2.45 0.00 50 R 8.65 4.65 0.00 1.78 1.98 0.00 3.29 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 51 V 8.73 4.51 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 0.93 0.00 0.00 1.04 0.00 0.00 52 D 8.71 5.45 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.88 3.94 0.95 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 0.55 0.00 0.00 0.61 0.00 0.00 54 D 9.88 4.38 0.00 2.77 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 0.00 55 G 8.55 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 K 7.94 4.62 0.00 2.14 1.86 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.46 7.81 57 P 0.00 4.98 0.00 2.11 2.22 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 58 Y 9.46 5.09 0.00 2.89 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 59 L 8.98 5.26 0.00 1.52 1.62 0.76 1.07 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 60 R 9.23 4.17 0.00 1.81 1.27 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 61 V 8.70 4.53 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 0.96 0.00 0.00 0.94 0.00 0.00 62 Y 9.03 4.59 0.00 3.19 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 63 L 8.72 4.40 0.00 1.94 1.30 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.86 4.62 0.00 1.73 1.51 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.44 7.81 65 Y 8.44 4.86 0.00 3.10 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 66 G 9.02 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.65 0.00 2.25 2.23 0.00 3.76 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 2.08 1.97 0.00 68 R 8.27 4.19 0.00 1.81 1.86 0.00 3.13 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 69 R 8.27 4.74 0.00 1.71 1.83 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 70 Q 8.58 4.29 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.07 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 71 G 8.52 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 P 0.00 4.27 0.00 2.19 2.07 0.00 3.93 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 1.99 1.96 0.00 73 D 8.47 4.25 0.00 2.81 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 74 P 0.00 4.51 0.00 2.20 2.22 0.00 3.72 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 1.98 1.93 0.00 75 R 7.77 3.98 0.00 1.95 1.89 0.00 3.42 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.45 0.00 76 P 0.00 4.79 0.00 2.15 2.28 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 77 E 8.83 4.29 0.00 2.13 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 2.41 2.42 0.00 78 Q 8.63 4.60 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 79 V 8.21 3.98 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 0.88 0.00 0.00 0.99 0.00 0.00 80 I 7.25 4.35 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.71 0.00 0.00 81 H 8.56 4.32 0.00 3.28 3.53 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.61 4.29 0.00 1.40 1.31 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.27 4.78 1.52 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.66 0.00 0.00 84 R 7.74 4.49 0.00 1.60 1.66 0.00 3.29 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 85 R 8.57 3.77 0.00 1.79 1.76 0.00 3.51 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 86 I 8.12 4.42 2.06 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 1.11 0.95 0.88 0.00 0.00 87 S 8.21 4.23 0.00 3.77 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 88 K 8.42 4.65 0.00 1.74 1.60 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.40 7.81 89 P 0.00 4.15 0.00 2.16 2.07 0.00 3.94 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 1.97 0.00 90 G 9.09 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 0.00 0.00 0.00 91 R 7.44 3.77 0.00 1.89 2.01 0.00 3.31 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.00 92 R 7.29 4.01 0.00 1.77 1.43 0.00 3.36 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.42 0.00 93 V 7.94 4.14 1.94 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 0.92 0.00 0.00 0.90 0.00 0.00 94 Y 8.49 5.40 0.00 2.87 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 95 V 8.38 4.58 2.12 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 0.80 0.00 0.00 1.04 0.00 0.00 96 G 9.28 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 0.00 0.00 0.00 97 V 8.21 3.65 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 0.77 0.00 0.00 1.00 0.00 0.00 98 K 7.97 4.24 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 E 8.01 4.47 0.00 2.05 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 0.00 2.27 2.26 0.00 100 I 7.69 3.77 1.89 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 1.50 0.74 0.94 0.00 0.00 101 P 0.00 4.35 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 102 R 8.02 4.42 0.00 1.78 1.90 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 103 V 8.10 3.56 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 1.24 0.00 0.00 1.08 0.00 0.00 104 R 9.20 3.21 0.00 1.60 1.60 0.00 3.07 0.00 0.00 2.70 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 R 8.91 3.79 0.00 1.74 1.86 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 106 G 8.53 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 0.00 107 L 7.93 3.94 0.00 1.62 1.74 0.88 0.68 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 0.00 108 G 7.40 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.17 5.02 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 1.15 0.00 0.00 110 A 8.44 4.96 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 0.00 111 I 8.44 4.62 1.85 0.00 0.00 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 1.25 1.40 0.91 0.00 0.00 112 L 8.94 5.08 0.00 1.61 1.61 0.96 0.54 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 0.00 113 S 9.02 4.89 0.00 4.06 3.79 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 0.00 114 T 8.76 4.76 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 1.27 0.00 0.00 115 S 8.80 4.31 0.00 3.99 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 0.00 116 K 7.99 4.32 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 8.49 3.77 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 0.00 0.00 0.00 118 V 8.03 4.45 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 0.88 0.00 0.00 1.18 0.00 0.00 119 L 8.87 5.44 0.00 1.65 1.77 0.97 0.49 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 0.00 120 T 8.48 4.86 4.31 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 1.34 0.00 0.00 121 D 8.73 4.41 0.00 2.96 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 0.00 122 R 7.95 3.90 0.00 1.90 2.04 0.00 3.16 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 123 E 8.05 3.95 0.00 2.32 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 0.00 2.36 2.37 0.00 124 A 8.37 3.98 1.46 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 0.00 125 R 7.87 3.84 0.00 2.02 2.00 0.00 3.30 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 1.66 1.66 0.00 126 K 8.40 3.85 0.00 1.86 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 127 L 8.35 4.18 0.00 1.81 1.73 0.93 1.00 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 0.00 128 G 8.03 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 0.00 129 V 7.97 4.57 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 0.79 0.00 0.00 0.95 0.00 0.00 130 G 9.38 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 0.00 131 G 8.11 4.32 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 0.00 132 E 8.62 3.96 0.00 2.36 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 0.00 2.37 2.23 0.00 133 L 9.19 4.68 0.00 1.82 1.51 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.87 3.82 2.16 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 1.64 1.36 0.85 0.00 0.00 135 C 7.81 4.98 0.00 2.98 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 0.00 136 E 8.43 5.01 0.00 2.02 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 2.35 2.47 0.00 137 V 8.48 4.55 1.67 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 -0.36 0.00 0.00 0.64 0.00 0.00 138 W 7.79 4.76 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