NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.3419 0.0000 0.0000 62.0378 31.7989 176.2368 -2 R 3.7285 8.3865 122.2027 57.3223 29.6180 172.0849 -1 G 3.9710 8.7615 109.9275 45.4179 0.0000 173.5806 0 S 4.2933 7.4061 112.6205 57.7474 63.7327 173.3398 1 M 4.2743 8.4670 122.2339 55.5324 33.2759 174.5810 2 I 4.6424 8.3338 126.7883 59.8143 39.2684 175.3094 3 R 4.5406 8.9431 126.4968 55.2966 32.4790 175.6232 4 T 4.9873 8.3922 118.7750 62.5493 69.8123 173.9354 5 M 4.9551 8.9731 126.6486 52.7692 35.9524 175.0038 6 L 3.3069 8.8035 124.1932 55.7516 42.2247 176.4143 7 Q 4.4345 9.0989 129.6154 58.3861 30.3403 175.7868 8 G 4.4527 7.8665 104.3572 46.4290 0.0000 172.0233 9 K 5.0452 8.1515 117.7642 55.6208 36.5199 174.9758 10 L 4.7288 8.7863 123.4616 54.1198 42.4789 176.4567 11 H 4.4455 9.4182 122.2116 55.9382 29.9358 176.2888 12 R 4.0553 7.4420 119.0807 53.8976 28.1121 176.0185 13 V 4.3452 9.0717 124.5485 59.3178 34.8328 174.5338 14 K 4.8076 8.4031 123.7572 55.1864 33.3763 176.4209 15 V 3.9843 8.8783 128.7124 63.5013 31.8347 176.2932 16 T 4.3634 9.0190 118.4348 62.8902 70.3955 174.3353 17 H 4.9336 7.9801 120.4273 54.9029 33.7246 172.5154 18 A 5.3212 8.0491 125.9731 50.9273 21.4209 175.3552 19 D 4.5835 8.6926 124.3392 53.5163 43.5618 176.9446 20 L 4.1296 8.6795 127.3306 56.8563 41.0565 175.0122 21 H 4.8795 8.1600 111.3768 56.5889 29.3432 173.8884 22 Y 4.7619 7.3312 120.5368 55.5017 40.6603 174.7500 23 E 4.1030 7.7306 120.0310 56.0473 30.6037 176.9363 24 S 4.9391 9.0159 118.3711 59.3485 63.4559 173.4431 25 S 4.4129 7.6924 118.3813 58.3353 65.6814 174.7812 26 C 5.2460 8.1270 120.0135 57.5655 33.8214 172.1413 27 A 5.1684 8.8466 128.5098 50.7102 20.8859 175.7740 28 I 4.9686 8.7190 122.7631 59.0704 41.8692 174.2546 29 D 4.3631 8.4599 125.6164 55.0071 41.2675 177.4203 30 Q 3.9901 8.7917 126.7112 59.5161 29.0321 178.3165 31 D 4.4214 8.3634 119.8843 57.4788 40.8456 178.9177 32 F 4.6294 7.9708 117.6801 60.6042 39.0887 177.4250 33 L 4.0693 8.0368 118.6615 58.0506 41.4272 179.2346 34 D 4.4050 8.5321 118.7288 57.5901 40.6001 178.9621 35 A 4.0559 7.9386 119.3656 54.6399 18.5931 178.6218 36 A 4.6094 8.2961 117.3098 51.4819 18.8224 178.2524 37 G 3.9477 7.5459 104.6378 46.2863 0.0000 173.8980 38 I 4.4237 7.7026 119.8269 60.0077 38.3919 175.5317 39 L 4.7543 8.7385 124.2061 52.4274 43.7741 175.8634 40 E 4.3110 8.5102 122.1064 57.9875 29.9163 177.0272 41 N 4.5721 9.4496 122.3259 53.2847 37.4430 174.0506 42 E 4.3145 8.1199 120.7110 55.5021 30.9515 175.8463 43 A 4.9014 8.7617 128.7629 52.4043 19.2076 176.6850 44 I 4.9016 8.9538 115.0772 59.2368 41.6220 173.8313 45 D 5.2554 9.2019 124.2528 52.8330 43.2400 175.3127 46 I 4.7565 8.5008 124.1235 59.0502 40.2548 174.1542 47 W 4.8603 9.0207 135.0000 55.5710 33.1938 173.9913 48 N 5.0047 9.5890 127.7358 52.6476 38.4973 175.5509 49 V 3.7206 8.7475 128.2845 66.5164 31.7697 177.7059 50 T 4.0596 8.4509 116.4839 66.1728 68.3299 174.6149 51 N 4.7745 8.4313 114.7757 51.9165 37.9950 175.6282 52 G 4.1270 8.4854 107.1550 45.7104 0.0000 173.9857 53 K 4.3096 8.4854 120.2570 56.1131 33.4177 176.2421 54 R 5.0632 8.3024 122.4064 54.3982 33.2639 174.6486 55 F 4.9751 8.7221 117.1623 56.0333 41.9114 172.9215 56 S 5.1545 8.6906 114.8990 57.4852 65.5468 174.2174 57 T 4.6262 8.6236 118.1479 61.6973 71.3835 171.5571 58 Y 5.4592 8.2173 115.9482 55.3044 42.3754 174.4121 59 A 5.1189 8.9073 122.5790 51.2547 20.5501 176.5543 60 I 4.9793 8.7309 114.3802 58.8051 41.4834 174.3679 61 A 4.7373 8.9794 125.2587 51.7832 19.3499 177.0205 62 A 4.6165 9.0050 127.0829 50.4065 22.2813 176.7219 63 E 4.1260 8.6432 116.2836 57.0177 30.6373 177.7484 64 R 4.1231 8.6383 123.0725 57.4019 30.4578 177.2353 65 G 3.9697 8.4651 111.0179 45.4150 0.0000 174.5679 66 S 4.0895 7.8209 114.1067 59.2125 63.2685 175.0977 67 R 3.7351 8.4302 118.1055 56.8592 28.2321 175.8878 68 I 3.9493 7.1584 119.2513 61.4169 38.4800 175.3486 69 I 4.8125 8.7640 127.0335 59.7205 40.1563 174.1111 70 S 5.1292 9.1116 123.2785 56.3757 64.8479 172.8442 71 V 4.5607 8.7008 128.2715 61.6268 32.9451 174.2665 72 N 5.2960 8.7445 125.0625 50.9403 42.6470 176.1908 73 G 3.7753 9.0264 108.4345 45.6698 0.0000 176.7007 74 A 3.8179 9.2644 124.3107 55.0730 18.3532 179.8088 75 A 3.5945 7.7911 116.9372 54.5553 18.6035 178.4750 76 A 4.1566 7.4343 117.5485 54.4104 18.4543 177.3625 77 H 4.4975 7.5063 112.5827 56.1264 28.8918 175.2989 76 A 4.1566 7.4343 117.5485 54.4104 18.4543 177.3625 77 S 4.2375 7.3963 110.0827 59.4264 63.6918 175.7989 81 V 3.6704 8.2031 121.8569 64.8800 31.4625 175.8960 82 G 4.0875 8.9672 115.9575 45.3592 0.0000 173.7056 83 D 4.5757 7.9273 119.0331 54.6086 42.4447 175.3310 84 I 4.7956 8.6396 122.9729 60.2470 39.0187 175.4159 85 V 5.0951 9.0462 119.8252 59.5582 36.2211 174.4562 86 I 4.9152 8.7899 122.8818 59.6337 40.2646 174.7283 87 I 4.9636 8.5005 127.1830 59.4578 39.9561 174.5554 88 A 5.2353 9.2026 128.4931 50.0252 22.8050 174.7036 89 S 5.1492 8.7073 114.1542 56.5068 66.4988 172.9842 90 F 5.1974 8.8705 119.1161 55.9285 42.0624 174.6945 91 V 4.7015 8.8428 114.9326 59.7849 35.8938 174.5096 92 T 5.6248 8.2621 111.6569 59.9686 71.2056 173.2719 93 M 4.5258 7.9481 117.5697 53.9300 34.2399 172.4990 94 P 4.7743 0.0000 0.0000 62.3969 32.6317 176.9633 95 D 4.3474 8.4496 120.0266 57.8581 40.7579 178.7024 96 E 3.9688 8.0816 117.6809 59.3503 30.0727 178.1217 97 E 4.1586 8.1851 117.9387 59.4332 29.4952 179.0077 98 A 4.1358 8.1912 120.8420 55.2258 18.1977 179.7664 99 R 4.1447 8.1812 115.6899 58.2492 30.1475 177.5584 100 T 4.5708 7.5028 106.6220 60.6362 69.3728 174.0335 101 W 4.3407 8.1151 135.0000 58.2344 31.2066 176.1014 102 R 4.1697 6.7716 122.8018 53.2469 31.2821 172.2796 103 P 4.5454 0.0000 0.0000 61.5864 32.6583 176.1197 104 N 4.6744 8.9907 120.4892 52.5960 39.4426 174.7329 105 V 4.9615 8.3261 116.5045 59.2995 35.4233 175.1523 106 A 4.7427 8.5551 124.8095 50.3722 22.2982 174.7905 107 Y 4.8471 8.6439 118.9096 56.2818 41.2613 174.9008 108 F 5.3952 8.6388 118.6992 56.0333 43.2349 173.8023 109 E 4.7005 9.1197 118.3097 54.3230 33.4753 178.2234 110 G 3.9233 8.8240 110.2351 47.3466 0.0000 175.7974 111 D 4.5774 8.8383 120.4728 54.8364 40.1170 175.3465 112 N 4.2264 7.8874 112.5040 54.2529 37.0907 175.0668 113 E 4.3604 8.5549 119.4502 56.0878 31.1858 175.2725 114 M 4.1903 8.6778 127.2000 54.3203 33.4489 175.0942 115 K 4.6296 8.8053 127.1095 55.2478 35.8484 178.1845 116 R 3.9896 8.6358 120.4498 58.2585 29.7899 177.3021 117 T 4.4789 7.3466 104.8888 59.5494 72.1307 173.3060 118 A 3.6349 7.3904 124.1387 52.8526 18.8123 180.0949 119 K 3.7730 7.4659 118.2312 57.1437 31.7109 183.1180 120 A 4.4100 7.5788 119.0905 52.2269 19.4528 177.1195 121 I 3.9538 7.1729 118.1434 59.6578 37.7109 174.5217 122 P 4.3417 0.0000 0.0000 63.4970 31.7865 177.3159 *123 V 3.8749 8.1474 115.3949 61.1612 31.6626 177.1320 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 -3 P 0.00 4.34 0.00 2.23 2.30 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 -2 R 8.39 3.73 0.00 1.93 1.78 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 -1 G 8.76 3.97 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 0.00 0.00 0.00 0 S 7.41 4.29 0.00 4.03 3.97 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 1 M 8.47 4.27 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 I 8.33 4.64 1.86 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 1.47 1.00 0.88 0.00 0.00 3 R 8.94 4.54 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 4 T 8.39 4.99 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 1.22 0.00 0.00 5 M 8.97 4.96 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 6 L 8.80 3.31 0.00 1.56 1.65 0.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.10 4.43 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 8 G 7.87 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 0.00 0.00 0.00 0.00 9 K 8.15 5.05 0.00 1.81 1.71 0.00 1.13 0.00 0.00 1.36 0.00 0.00 2.44 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.10 1.06 7.81 10 L 8.79 4.73 0.00 1.56 1.61 0.89 1.40 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 11 H 9.42 4.45 0.00 2.83 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.44 4.06 0.00 1.78 1.89 0.00 3.17 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 13 V 9.07 4.35 1.28 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 0.63 0.00 0.00 -0.11 0.00 0.00 14 K 8.40 4.81 0.00 1.80 1.84 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 15 V 8.88 3.98 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 1.08 0.00 0.00 1.00 0.00 0.00 16 T 9.02 4.36 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 1.37 0.00 0.00 17 H 7.98 4.93 0.00 3.19 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 5.32 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 19 D 8.69 4.58 0.00 2.66 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 20 L 8.68 4.13 0.00 1.61 1.67 0.92 0.92 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 21 H 8.16 4.88 0.00 3.20 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.33 4.76 0.00 3.25 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 23 E 7.73 4.10 0.00 1.94 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 0.00 2.16 2.34 0.00 24 S 9.02 4.94 0.00 3.80 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 25 S 7.69 4.41 0.00 3.34 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 26 C 8.13 5.25 0.00 3.04 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 27 A 8.85 5.17 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 28 I 8.72 4.97 1.91 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 1.15 0.64 1.06 0.00 0.00 29 D 8.46 4.36 0.00 2.15 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 30 Q 8.79 3.99 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 31 D 8.36 4.42 0.00 2.81 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 0.00 32 F 7.97 4.63 0.00 3.16 3.16 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 33 L 8.04 4.07 0.00 1.95 1.98 0.96 1.15 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 34 D 8.53 4.40 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 35 A 7.94 4.06 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 36 A 8.30 4.61 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 37 G 7.55 3.95 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 0.00 0.00 0.00 38 I 7.70 4.42 1.93 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 1.32 0.82 0.96 0.00 0.00 39 L 8.74 4.75 0.00 1.71 1.58 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.51 4.31 0.00 1.97 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 2.36 2.44 0.00 41 N 9.45 4.57 0.00 2.90 2.93 0.00 0.00 6.97 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 42 E 8.12 4.31 0.00 2.15 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 2.36 2.31 0.00 43 A 8.76 4.90 1.30 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 0.00 0.00 44 I 8.95 4.90 1.88 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 1.28 0.84 1.00 0.00 0.00 45 D 9.20 5.26 0.00 2.75 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 46 I 8.50 4.76 0.56 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 0.94 0.48 0.75 0.00 0.00 47 W 9.02 4.86 0.00 3.46 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 48 N 9.59 5.00 0.00 2.99 3.10 0.00 0.00 6.40 7.75 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 49 V 8.75 3.72 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 0.77 0.00 0.00 0.85 0.00 0.00 50 T 8.45 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 1.29 0.00 0.00 51 N 8.43 4.77 0.00 2.84 2.93 0.00 0.00 7.13 7.16 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 52 G 8.49 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 0.00 0.00 0.00 0.00 53 K 8.49 4.31 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.56 7.81 54 R 8.30 5.06 0.00 1.30 1.38 0.00 2.39 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 55 F 8.72 4.98 0.00 3.02 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 56 S 8.69 5.15 0.00 3.78 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 57 T 8.62 4.63 4.42 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 0.00 0.00 0.00 1.27 0.00 0.00 58 Y 8.22 5.46 0.00 3.14 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 59 A 8.91 5.12 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 60 I 8.73 4.98 2.08 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 1.19 1.26 1.09 0.00 0.00 61 A 8.98 4.74 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 62 A 9.01 4.62 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 63 E 8.64 4.13 0.00 1.67 1.89 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 2.32 1.95 0.00 64 R 8.64 4.12 0.00 1.76 1.90 0.00 3.20 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 65 G 8.47 3.97 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 0.00 0.00 0.00 66 S 7.82 4.09 0.00 3.94 3.95 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 67 R 8.43 3.74 0.00 2.00 2.27 0.00 3.27 0.00 0.00 3.75 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 68 I 7.16 3.95 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.92 0.00 0.00 69 I 8.76 4.81 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.91 0.00 0.00 70 S 9.11 5.13 0.00 3.82 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 71 V 8.70 4.56 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 1.05 0.00 0.00 1.04 0.00 0.00 72 N 8.74 5.30 0.00 2.91 2.83 0.00 0.00 6.49 7.73 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 73 G 9.03 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 74 A 9.26 3.82 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 75 A 7.79 3.59 1.21 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 0.00 0.00 76 A 7.43 4.16 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 77 H 7.51 4.50 0.00 3.25 3.21 0.00 5.71 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 76 A 7.43 4.16 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 77 S 7.40 4.24 0.00 3.85 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 81 V 8.20 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 82 G 8.97 4.09 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 0.00 0.00 0.00 83 D 7.93 4.58 0.00 2.74 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 84 I 8.64 4.80 1.89 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 1.25 1.01 0.92 0.00 0.00 85 V 9.05 5.10 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 0.79 0.00 0.00 0.97 0.00 0.00 86 I 8.79 4.92 1.90 0.00 0.00 0.64 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 0.69 0.85 0.00 0.00 87 I 8.50 4.96 1.84 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 1.11 0.83 0.90 0.00 0.00 88 A 9.20 5.24 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 89 S 8.71 5.15 0.00 4.10 3.95 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 90 F 8.87 5.20 0.00 2.88 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 91 V 8.84 4.70 1.91 0.00 0.00 0.00 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 0.53 0.00 0.00 92 T 8.26 5.62 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 1.20 0.00 0.00 93 M 7.95 4.53 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 94 P 0.00 4.77 0.00 2.36 2.00 0.00 3.58 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 2.35 2.05 0.00 95 D 8.45 4.35 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 96 E 8.08 3.97 0.00 2.01 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 2.32 2.42 0.00 97 E 8.19 4.16 0.00 2.25 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 2.42 2.48 0.00 98 A 8.19 4.14 1.41 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 0.00 0.00 0.00 99 R 8.18 4.14 0.00 2.00 2.05 0.00 3.13 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 100 T 7.50 4.57 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 1.25 0.00 0.00 101 W 8.12 4.34 0.00 3.46 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 0.00 102 R 6.77 4.17 0.00 1.82 1.66 0.00 3.32 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 103 P 0.00 4.55 0.00 1.87 2.19 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 104 N 8.99 4.67 0.00 2.81 2.97 0.00 0.00 6.99 8.29 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 0.00 105 V 8.33 4.96 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 0.63 0.00 0.00 0.95 0.00 0.00 106 A 8.56 4.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.64 4.85 0.00 2.76 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 0.00 108 F 8.64 5.40 0.00 3.03 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 0.00 109 E 9.12 4.70 0.00 2.02 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 2.33 2.29 0.00 110 G 8.82 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 0.00 111 D 8.84 4.58 0.00 2.67 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 0.00 112 N 7.89 4.23 0.00 3.01 3.01 0.00 0.00 7.17 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 0.00 113 E 8.55 4.36 0.00 2.14 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 2.31 2.30 0.00 114 M 8.68 4.19 0.00 2.03 1.72 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.29 0.00 115 K 8.81 4.63 0.00 1.60 1.55 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.23 1.41 7.81 116 R 8.64 3.99 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 117 T 7.35 4.48 4.02 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 1.14 0.00 0.00 118 A 7.39 3.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 3.77 0.00 1.74 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.27 7.81 120 A 7.58 4.41 1.22 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 0.00 121 I 7.17 3.95 1.86 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 1.22 0.75 0.97 0.00 0.00 122 P 0.00 4.34 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 *123 V 8.15 3.87 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.