NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2564 8.3149 121.7894 56.0369 33.4937 174.8584 2 E 4.1710 8.2067 121.4489 53.9275 30.5234 175.4711 3 T 4.2582 8.5481 115.0698 61.0514 72.3159 175.3810 4 A 3.9752 8.4349 122.2461 55.0538 18.4352 179.7537 5 A 4.0862 7.9686 118.7853 55.2921 18.5132 179.5375 6 A 4.1652 8.0921 119.3765 55.1579 18.3606 179.7634 7 K 4.0556 8.2708 119.6311 58.9848 32.2828 178.5608 8 F 4.0317 8.3658 120.9627 61.4990 39.2656 176.9919 9 E 4.0283 8.2934 117.6514 59.5234 29.0975 179.3552 10 R 3.9066 7.9570 117.4941 59.5953 30.2207 178.2337 11 Q 3.9927 8.0883 116.9281 58.0309 29.0814 176.3150 12 H 4.6526 7.9453 114.0996 54.0340 31.6498 173.3405 13 M 4.6996 7.9797 118.5465 53.8687 33.4064 176.9267 14 D 4.7500 9.1059 122.8884 52.4027 42.4327 176.5045 15 S 4.3919 8.4365 113.9471 58.0207 63.3796 174.7118 *24 N 4.5824 7.9515 117.7505 52.5908 39.3943 173.7926 25 Y 3.9999 8.4367 121.0731 61.2314 38.6985 179.1387 26 C 4.1579 8.1069 115.8789 60.0281 35.9743 175.7712 27 N 4.3994 8.7118 118.1988 56.4433 38.0678 177.5972 28 Q 3.8952 8.0028 119.3188 59.2308 28.7952 178.3941 29 M 3.7467 7.8898 119.5226 58.4794 31.9950 178.1225 30 M 4.0473 8.1541 119.4524 57.9073 31.9186 178.7274 31 K 3.9754 7.6305 121.2960 59.0454 32.2958 178.9263 32 S 4.0327 8.0236 114.2965 61.7169 62.8416 175.5764 33 R 4.3285 8.1330 116.8792 55.5484 29.7155 175.6862 34 N 4.1976 7.9565 114.8801 54.9249 37.6743 175.0413 35 L 4.4922 8.2430 118.0675 55.4085 43.1616 177.8922 36 T 5.5508 7.4902 107.2542 60.4464 69.2538 176.1570 37 K 4.2648 8.3988 124.2613 59.5256 32.4093 177.5971 38 D 4.8740 7.6230 115.2608 52.1035 40.2462 174.5810 39 R 3.9282 7.3786 117.8229 56.8072 32.5685 173.3376 40 C 5.3279 8.8225 118.4823 54.9382 41.9645 173.5108 41 K 4.5435 8.2911 125.8511 54.5026 33.0984 174.1814 42 P 4.8602 0.0000 0.0000 64.8732 32.0407 176.5221 43 V 5.1127 7.5620 109.1388 60.1267 35.8626 174.1288 44 N 4.7380 8.9746 120.1004 52.8544 42.5023 173.0593 45 T 4.8065 7.9643 120.7693 61.6827 71.6228 172.8949 46 F 4.8934 8.9298 124.6992 55.7040 41.9453 174.6812 47 V 4.5720 8.9476 122.8122 61.1811 33.7592 175.4895 48 H 5.8395 8.9976 125.2613 55.2967 29.4340 174.8220 49 E 4.5896 8.0872 118.5354 54.5585 31.9362 175.5504 50 S 4.4844 8.1942 114.6006 58.0234 65.1256 174.6925 51 L 3.9858 8.5969 124.7686 58.6533 41.8497 179.3565 52 A 4.2878 7.9006 121.3161 54.7994 18.1481 179.1757 53 D 4.3948 7.8331 116.4004 57.1388 41.1350 178.8508 54 V 3.8139 7.8494 118.9939 66.0445 31.4763 178.1179 55 Q 3.9420 8.5648 117.9865 58.7883 28.5967 178.6095 56 A 4.1219 8.1737 121.6437 54.7505 18.2512 179.6883 57 V 3.5930 7.6851 116.9145 65.8519 31.3297 176.8759 58 C 3.9763 7.7779 114.5567 57.8719 39.8785 174.0117 59 S 4.6925 7.4825 114.4332 58.0292 63.9850 174.3677 60 Q 4.4833 7.4658 122.8286 56.4521 27.1275 178.7261 61 K 4.2823 8.3951 131.9717 56.1997 32.7008 174.6789 62 N 4.3032 8.7239 125.1191 53.6173 39.7057 174.3256 63 V 4.5607 8.3123 117.9618 59.4081 36.8995 174.4836 64 A 4.3629 8.3342 124.6862 51.9696 19.2842 178.5301 65 C 4.5272 9.2207 119.6033 55.9935 41.1039 174.7859 66 K 3.7251 8.3303 123.4115 59.7396 31.6324 177.0574 67 N 4.6186 8.1553 113.4220 52.3237 37.3030 175.7017 68 G 3.8492 8.4951 105.8948 46.3963 0.0000 174.4043 69 Q 4.3108 8.4036 119.4644 55.9317 29.4928 176.2851 70 T 4.6289 8.2955 114.1490 63.6058 69.1022 174.4192 71 N 5.1071 7.9709 118.0586 53.2685 38.4884 174.6606 72 C 5.4339 7.4756 115.3978 56.6650 44.1194 172.7827 73 Y 4.9877 8.7156 118.2964 56.4230 42.1237 173.8787 74 Q 5.1494 9.0377 125.6982 54.1345 31.3017 174.9436 75 S 4.4985 8.6843 121.5605 58.5436 63.3178 174.2070 76 Y 4.2795 8.8941 121.0636 60.4917 37.8291 176.4482 77 S 5.0426 7.8594 112.3784 56.4088 65.8502 174.1207 78 T 4.3402 8.2224 110.3522 61.8661 69.7666 173.6944 79 M 5.0302 9.1069 121.6605 53.4424 37.0321 174.5524 80 S 4.8636 9.1391 116.8794 58.2101 63.6221 173.1096 81 I 5.1620 9.1345 120.3446 59.5328 41.6684 174.1184 82 T 5.0904 8.8478 119.4653 62.0301 71.7541 172.7794 83 D 5.0365 9.3188 126.8887 53.2959 43.1925 174.8103 84 C 5.5126 9.1965 120.4478 55.1949 39.3849 172.9599 85 R 5.2109 9.1207 123.9857 54.1657 32.9524 174.3018 86 E 4.1072 9.3097 126.8664 56.7001 30.8509 177.1039 87 T 4.0839 8.5499 114.4310 61.2091 69.8801 175.8710 88 G 3.6383 8.7028 111.3715 48.4356 0.0000 175.0275 89 S 4.2812 7.3362 113.4246 59.4542 63.6283 174.6801 90 S 4.1369 7.4145 116.7285 58.1583 62.8123 173.1820 91 K 4.5455 8.2883 126.1825 54.6976 35.3179 174.5560 92 Y 4.3432 8.7092 127.3725 57.5904 39.0295 174.1501 93 P 2.9700 0.0000 0.0000 62.9031 32.2750 176.4757 94 N 4.6203 7.6580 119.8477 51.4738 35.8615 173.8126 95 C 4.4394 7.7610 120.2638 57.8612 42.9551 173.3470 96 A 4.9154 8.3316 123.5672 50.8245 22.3072 174.8372 97 Y 5.0457 9.0166 119.6183 55.8961 41.6869 175.1401 98 K 4.4368 9.3608 124.4869 55.8998 33.9696 175.3019 99 T 5.0865 8.6020 124.0902 62.4277 70.2833 174.0534 100 T 4.5898 8.9596 123.5875 61.7220 71.6583 173.1566 101 Q 4.8330 8.7951 127.7946 55.6915 30.4403 174.2986 102 A 4.6404 8.7566 125.2376 51.2471 23.6233 174.8828 103 N 5.4051 8.7253 116.1990 51.6810 40.8439 174.4094 104 K 4.7924 9.0838 122.8760 54.4733 37.2106 175.8660 105 H 4.9067 9.2769 120.1539 55.9799 29.9037 174.6875 106 I 4.8830 8.8096 115.6573 59.1854 40.8596 174.3486 107 I 4.8565 8.3883 124.4039 59.6910 40.1687 175.0248 108 V 4.7650 8.5442 119.3866 59.3494 35.7514 174.3896 109 A 5.0142 8.6040 124.9911 50.8922 20.8411 175.6094 110 C 5.1638 8.6290 118.7009 55.3821 38.9387 173.3101 111 E 4.6973 8.6382 119.5250 56.4230 34.4778 175.7167 112 G 4.0954 9.9755 107.8102 44.7606 0.0000 171.7323 113 N 5.0415 8.1567 116.8321 51.0313 40.6308 172.5686 114 P 4.3123 0.0000 0.0000 62.6388 31.9976 175.7762 115 Y 4.7516 8.3607 121.7291 57.5490 38.7402 174.7683 116 V 4.4650 8.1693 119.4160 58.3305 36.5574 173.5501 117 P 4.4386 0.0000 0.0000 62.9108 31.0605 176.8745 118 V 4.3856 8.5328 115.8552 61.3559 33.9815 175.4196 119 H 5.1524 7.8100 116.4134 54.2673 33.5997 172.1983 120 F 4.7142 9.0322 124.1524 57.4095 39.3975 174.6912 121 D 4.5932 8.6642 127.2371 56.2486 41.9217 175.8053 122 A 4.6074 6.7336 117.3644 51.5895 22.3317 174.7761 123 S 5.2359 8.8978 113.2085 56.8354 66.3174 174.4845 124 V 4.1137 8.7008 120.4337 63.3184 31.8387 174.8797 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 8.31 4.26 0.00 1.72 1.79 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.54 7.81 2 E 8.21 4.17 0.00 2.16 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 2.38 2.36 0.00 3 T 8.55 4.26 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 1.22 0.00 0.00 4 A 8.43 3.98 1.32 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 5 A 7.97 4.09 1.32 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 6 A 8.09 4.17 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 7 K 8.27 4.06 0.00 1.94 2.01 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.30 7.81 8 F 8.37 4.03 0.00 3.11 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 9 E 8.29 4.03 0.00 2.31 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 2.49 2.66 0.00 10 R 7.96 3.91 0.00 1.79 2.07 0.00 3.35 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 1.69 1.67 0.00 11 Q 8.09 3.99 0.00 1.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 12 H 7.95 4.65 0.00 2.15 2.69 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.98 4.70 0.00 1.98 2.19 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 2.71 2.70 0.00 14 D 9.11 4.75 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.44 4.39 0.00 3.93 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 *24 N 7.95 4.58 0.00 3.09 3.05 0.00 0.00 5.76 7.57 0.00 0.00 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 Y 8.44 4.00 0.00 3.05 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 26 C 8.11 4.16 0.00 3.38 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 27 N 8.71 4.40 0.00 2.90 2.92 0.00 0.00 7.08 7.19 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 28 Q 8.00 3.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 29 M 7.89 3.75 0.00 0.98 0.86 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.15 0.00 30 M 8.15 4.05 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.52 0.00 31 K 7.63 3.98 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.35 7.81 32 S 8.02 4.03 0.00 3.87 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 33 R 8.13 4.33 0.00 1.93 2.10 0.00 3.62 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 34 N 7.96 4.20 0.00 2.83 2.86 0.00 0.00 6.99 8.15 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 35 L 8.24 4.49 0.00 1.72 1.64 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.49 5.55 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 1.37 0.00 0.00 37 K 8.40 4.26 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.47 1.56 7.81 38 D 7.62 4.87 0.00 2.63 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 39 R 7.38 3.93 0.00 1.66 1.71 0.00 3.11 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 40 C 8.82 5.33 0.00 3.05 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 41 K 8.29 4.54 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.41 7.81 42 P 0.00 4.86 0.00 2.15 2.12 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 43 V 7.56 5.11 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 0.71 0.00 0.00 0.95 0.00 0.00 44 N 8.97 4.74 0.00 2.58 2.25 0.00 0.00 7.14 6.75 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 45 T 7.96 4.81 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 0.89 0.00 0.00 46 F 8.93 4.89 0.00 2.99 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 47 V 8.95 4.57 2.15 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 1.19 0.00 0.00 1.02 0.00 0.00 48 H 9.00 5.84 0.00 3.12 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 4.59 0.00 2.05 1.93 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 2.38 2.28 0.00 50 S 8.19 4.48 0.00 4.08 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 0.00 51 L 8.60 3.99 0.00 1.83 1.76 1.08 1.26 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 52 A 7.90 4.29 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 53 D 7.83 4.39 0.00 2.79 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 54 V 7.85 3.81 2.32 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 1.25 0.00 0.00 1.08 0.00 0.00 55 Q 8.56 3.94 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 56 A 8.17 4.12 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 57 V 7.69 3.59 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 1.07 0.00 0.00 1.02 0.00 0.00 58 C 7.78 3.98 0.00 2.92 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 59 S 7.48 4.69 0.00 3.95 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 60 Q 7.47 4.48 0.00 2.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 61 K 8.40 4.28 0.00 1.63 1.66 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.84 1.40 7.81 62 N 8.72 4.30 0.00 2.67 2.64 0.00 0.00 7.00 7.71 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 63 V 8.31 4.56 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 0.62 0.00 0.00 0.79 0.00 0.00 64 A 8.33 4.36 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 65 C 9.22 4.53 0.00 3.17 3.15 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 66 K 8.33 3.73 0.00 1.81 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.56 7.81 67 N 8.16 4.62 0.00 2.83 2.87 0.00 0.00 6.01 7.00 0.00 0.00 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 8.50 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 69 Q 8.40 4.31 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 70 T 8.30 4.63 4.21 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 1.16 0.00 0.00 71 N 7.97 5.11 0.00 3.06 3.12 0.00 0.00 6.01 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 72 C 7.48 5.43 0.00 3.02 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 73 Y 8.72 4.99 0.00 2.84 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 74 Q 9.04 5.15 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 75 S 8.68 4.50 0.00 3.95 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 76 Y 8.89 4.28 0.00 3.05 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 77 S 7.86 5.04 0.00 3.89 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 78 T 8.22 4.34 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 0.99 0.00 0.00 79 M 9.11 5.03 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 S 9.14 4.86 0.00 3.94 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 81 I 9.13 5.16 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 1.00 0.00 0.00 82 T 8.85 5.09 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 1.35 0.00 0.00 83 D 9.32 5.04 0.00 2.59 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 84 C 9.20 5.51 0.00 2.89 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 85 R 9.12 5.21 0.00 1.97 1.80 0.00 3.20 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 86 E 9.31 4.11 0.00 1.99 1.73 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 1.82 1.89 0.00 87 T 8.55 4.08 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 1.17 0.00 0.00 88 G 8.70 3.64 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 0.00 89 S 7.34 4.28 0.00 4.09 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 90 S 7.41 4.14 0.00 3.81 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 91 K 8.29 4.55 0.00 1.81 1.56 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 Y 8.71 4.34 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 93 P 0.00 2.97 0.00 1.71 1.20 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 94 N 7.66 4.62 0.00 2.92 2.94 0.00 0.00 6.89 7.08 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 95 C 7.76 4.44 0.00 3.13 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 96 A 8.33 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.02 5.05 0.00 3.04 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 98 K 9.36 4.44 0.00 1.87 1.94 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.51 7.81 99 T 8.60 5.09 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 1.31 0.00 0.00 100 T 8.96 4.59 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 1.24 0.00 0.00 101 Q 8.80 4.83 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 8.76 4.64 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 0.00 103 N 8.73 5.41 0.00 2.56 2.75 0.00 0.00 6.69 7.61 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 0.00 104 K 9.08 4.79 0.00 1.70 1.70 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.28 4.91 0.00 3.18 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.81 4.88 1.72 0.00 0.00 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 1.27 0.70 1.15 0.00 0.00 107 I 8.39 4.86 1.78 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 1.13 0.73 0.79 0.00 0.00 108 V 8.54 4.77 1.83 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 0.58 0.00 0.00 0.81 0.00 0.00 109 A 8.60 5.01 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 0.00 110 C 8.63 5.16 0.00 1.73 1.75 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 0.00 111 E 8.64 4.70 0.00 1.85 1.80 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 2.29 2.25 0.00 112 G 9.98 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 0.00 113 N 8.16 5.04 0.00 2.62 2.69 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.31 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.36 4.75 0.00 2.80 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 0.00 116 V 8.17 4.47 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 0.68 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.44 0.00 0.49 1.19 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 118 V 8.53 4.39 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 0.64 0.00 0.00 0.94 0.00 0.00 119 H 7.81 5.15 0.00 3.06 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.03 4.71 0.00 2.81 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 0.00 121 D 8.66 4.59 0.00 2.60 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 0.00 122 A 6.73 4.61 1.19 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 0.00 0.00 123 S 8.90 5.24 0.00 3.96 4.08 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 0.00 124 V 8.70 4.11 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 1.01 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.