NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2242 8.1727 119.9918 56.1374 34.7979 177.0413 6 Q 4.0364 7.5433 119.0331 55.2989 29.8692 175.4055 7 P 4.2536 0.0000 0.0000 65.6785 32.1558 177.4665 8 F 3.8007 8.3733 120.1837 61.2099 39.1131 176.5819 9 E 4.0894 8.4202 118.5787 59.4180 29.4908 178.7807 10 R 3.9187 8.0528 118.7058 59.5122 30.1507 178.6154 11 I 3.7276 8.2951 120.1014 64.1973 37.0026 178.2124 12 L 3.9645 8.0254 121.3219 57.9471 41.8209 178.8728 13 R 3.9296 8.4591 119.2616 59.5661 29.9798 178.4265 14 E 4.0715 8.2311 118.3032 59.3216 29.4559 179.3902 15 I 3.7672 7.8124 119.9291 64.6314 37.2054 178.3043 16 C 4.2073 8.4250 117.8133 62.6700 27.8944 175.8477 17 F 4.1252 8.6076 122.5545 61.6852 38.9045 177.1295 18 M 3.9579 8.2233 118.4717 58.3461 31.8256 179.2064 19 V 3.7225 8.0192 119.3954 64.4990 31.6049 178.3125 20 K 3.7915 7.9842 120.2920 59.3870 31.8815 179.0299 21 V 3.3155 7.2583 117.0927 65.5238 31.7396 177.1557 22 E 3.8187 8.1435 119.6016 59.2180 29.4857 179.0719 23 G 3.5764 7.7519 105.4476 47.8630 0.0000 175.3356 24 R 3.8621 7.7208 118.7713 57.1989 30.0794 178.8440 25 K 3.9531 7.6673 118.9841 59.2448 31.9491 179.3936 26 V 3.7520 7.6088 112.1901 63.8901 31.4876 178.0419 27 L 4.3297 7.7447 117.9980 56.8180 41.1280 179.2806 28 R 3.9925 7.6610 117.4643 58.7744 30.0339 177.7409 29 D 4.4915 7.9679 116.8343 55.2949 41.1723 177.5812 30 F 4.7089 8.0478 116.9011 56.6223 40.2968 176.6768 31 G 3.9588 7.8808 104.2095 45.9223 0.0000 173.2200 32 I 4.0752 7.6335 120.4289 60.7017 37.9137 176.7354 33 T 4.3153 8.6405 116.0451 60.2953 71.1506 174.2106 34 P 4.2505 0.0000 0.0000 65.9307 31.4944 178.7608 35 A 4.0602 8.0410 118.8516 55.4228 18.2841 179.5630 36 Q 3.9703 7.9470 116.6766 58.9516 28.6728 178.7235 37 F 4.1183 8.5211 122.0303 61.1445 39.2592 176.9475 38 D 4.2247 8.2826 118.6515 57.3119 40.6961 178.8123 39 I 3.6659 7.5873 119.8899 64.3829 37.0659 178.4642 40 L 3.9272 7.6748 119.9369 57.8438 41.5012 179.6650 41 Q 3.7523 7.9011 117.6151 58.5442 28.6299 178.3643 42 K 4.0584 7.7607 122.0884 59.3878 32.1972 178.9242 43 I 4.1357 7.6585 121.3285 63.9550 36.8281 177.4263 44 Y 3.8483 7.9271 119.5691 61.0073 38.5822 178.1587 45 F 4.7006 8.0064 116.1989 58.9684 39.3657 176.1513 46 E 4.5276 8.4011 114.3616 55.2748 31.3250 175.8323 47 G 3.7854 8.2682 105.7963 43.1138 0.0000 170.4724 48 P 4.7881 0.0000 0.0000 63.0228 31.7179 176.4628 49 K 5.0590 8.9571 123.2186 54.6207 35.7616 176.0392 50 R 4.0869 9.4012 122.5575 55.1500 31.1028 175.9566 51 P 4.3053 0.0000 0.0000 65.9860 31.3523 179.2802 52 G 3.6652 7.9455 103.7652 47.1483 0.0000 175.4240 53 E 4.0419 8.0516 120.3067 59.2244 29.4291 179.3423 54 L 4.1035 7.8732 118.9586 57.4790 41.4788 179.3592 55 S 4.2013 7.8708 114.2922 61.0777 62.8279 176.8322 56 V 3.5636 7.5300 121.1010 65.6129 31.3976 177.1895 57 L 4.0980 7.5450 118.7711 58.5470 41.9771 178.6892 58 L 4.2783 7.8660 116.9054 54.9566 42.0644 177.1409 59 G 3.7837 8.7345 106.2194 46.6767 0.0000 173.0757 60 V 4.4911 7.4295 109.7471 58.0320 36.2372 176.1137 61 A 4.2430 8.1806 122.2300 51.5845 20.2478 178.2821 62 K 3.8050 8.6809 122.4744 59.8663 32.2490 179.1708 63 S 4.1575 8.1239 113.7776 61.9038 62.7091 176.6167 64 T 3.8510 7.8341 118.6518 66.2990 68.2753 176.5809 65 V 3.5986 7.6377 119.6394 66.3263 31.4692 177.9332 66 T 4.0084 8.5966 115.8945 66.7225 68.4568 176.6193 67 G 3.6358 7.9837 106.9872 47.9229 0.0000 175.6918 68 L 4.0479 7.9633 121.8734 57.4081 41.6337 179.9181 69 V 3.6378 8.2998 118.6613 65.6430 31.5014 177.7635 70 K 3.8391 8.2886 119.7418 59.7479 31.9718 178.6904 71 R 3.9348 7.9360 118.2945 59.4282 29.9698 178.3736 72 L 4.2123 8.1294 118.8494 57.9018 41.6973 179.4675 73 E 4.3624 9.0911 120.0054 58.9869 29.2386 179.2554 74 A 4.0905 8.0311 119.5307 54.6909 18.4241 178.3521 75 D 4.7615 7.9940 115.1862 53.8073 41.0999 177.2572 76 G 3.7847 7.6160 106.7149 46.3546 0.0000 174.3920 77 Y 4.5923 8.1577 118.7845 58.5820 39.4432 175.4951 78 L 5.3510 7.9054 117.8275 53.2503 46.6208 175.1685 79 T 4.8774 9.4259 115.5918 60.7118 71.6621 172.2378 80 R 5.4524 8.5468 121.7972 54.5596 32.9450 175.8884 81 T 4.8395 8.4619 110.8427 59.2081 72.3250 171.7599 82 P 4.8403 0.0000 0.0000 62.5462 31.9792 176.0129 83 D 4.6708 9.2337 121.9763 57.8988 41.3415 177.8234 *88 R 4.3779 7.7064 116.4709 55.8281 32.0558 173.9107 89 A 4.7391 7.9949 119.0442 50.3859 20.8678 176.5506 90 Y 5.4002 7.8666 118.1586 55.3629 41.4828 174.6975 91 F 4.9267 9.1016 119.5653 56.0601 42.1763 174.7379 92 L 5.0289 9.3453 122.3170 54.3035 43.0539 176.3266 93 V 4.8101 9.2046 117.3065 59.3176 35.3185 174.9867 94 I 4.5029 8.4152 124.7810 61.1891 39.0387 175.4343 95 T 4.3936 8.4853 119.1250 60.4524 70.8177 175.6694 96 R 4.0115 8.6176 120.8394 59.3375 29.6680 178.1574 97 K 4.0464 8.0328 118.3910 59.4437 32.3023 178.4790 98 G 3.9744 8.1073 105.7087 47.9422 0.0000 175.3127 99 E 4.2021 8.7550 121.4763 59.4751 29.5191 179.4404 100 E 4.0146 8.5425 118.5252 59.1588 29.4869 179.5436 101 V 2.9998 7.4184 118.1985 65.9078 31.4902 177.9166 102 I 3.6202 7.4919 118.8011 64.6182 36.8776 178.1380 103 E 3.9459 8.1261 119.1444 59.2882 29.1501 179.6532 104 K 4.0621 8.2992 118.7699 59.2576 32.0848 179.6139 105 V 3.5123 7.7086 118.3646 66.1124 31.5280 178.0345 106 I 3.7393 8.0698 119.9568 64.4627 36.8451 178.0333 107 E 3.9731 8.2520 120.0287 59.2958 29.4871 178.8460 108 R 3.8976 8.2693 118.9455 59.3653 30.0683 178.7729 109 R 3.9769 8.2242 117.9169 59.3107 30.1472 178.5135 110 E 4.0024 8.6407 118.7972 59.9954 29.5486 179.5511 111 N 4.6179 8.5823 116.2600 55.9496 38.3869 177.4085 112 F 4.4017 8.3210 122.4263 61.5347 39.4454 177.3431 113 I 3.5657 8.0845 119.5702 64.0929 36.8589 177.9803 114 E 4.0108 8.5616 122.0652 58.5825 29.4434 178.9478 115 K 3.9115 8.0302 118.5010 59.5061 31.9972 179.2221 116 I 3.5618 7.3272 120.1148 64.6723 36.7046 178.6982 117 T 4.2656 8.0109 111.7702 64.0494 68.1588 176.7911 118 S 4.1128 7.6276 117.6227 61.7793 63.0583 176.0340 119 D 4.4670 7.8130 119.9499 57.0409 40.5446 178.3452 120 L 4.2185 7.6084 118.7122 54.4077 42.2993 178.1846 121 G 4.0606 7.5047 103.0519 45.3291 0.0000 174.5812 122 K 3.9988 8.4034 117.6996 59.0850 32.0419 179.4824 123 E 3.9070 8.0354 119.1435 59.2512 29.6727 178.6646 124 K 3.9774 7.9763 119.1989 59.4798 32.4474 178.6172 125 S 4.1267 7.9962 115.3527 61.9718 62.7984 177.0397 126 S 4.2001 8.0323 117.3233 61.2384 62.4669 176.7068 127 K 4.0640 8.1552 122.6114 59.5087 31.9008 179.0304 128 I 3.8010 8.2265 120.6095 64.2134 36.9302 178.0883 129 L 3.9490 8.2192 121.4007 58.2888 41.9331 178.5520 130 D 4.3255 8.2009 118.7466 57.9386 40.7240 178.7376 131 Y 4.0360 8.3028 116.9918 60.8927 37.8088 178.4438 132 L 4.0737 8.3870 120.3649 57.5618 41.6981 179.5896 133 K 3.9502 8.3738 118.8373 59.4306 32.0363 178.9570 134 E 3.8972 8.1071 119.4941 59.1259 29.4916 178.4868 135 L 3.9964 8.2035 120.5499 58.1175 42.1229 178.9053 136 K 4.0262 8.3243 119.6651 59.4636 32.2302 179.0233 137 G 3.6062 8.1243 106.0722 47.8159 0.0000 175.8813 138 V 3.6359 7.9085 120.7740 65.7530 31.2981 177.8318 139 M 4.0040 8.1758 117.5024 58.7084 32.3155 177.4785 140 E 4.0931 8.5782 119.8976 59.3410 29.5260 178.7872 141 R 3.9502 7.7549 117.5504 59.0751 30.2733 177.4448 142 N 4.7942 7.7982 113.3271 52.6811 38.9411 174.7070 143 F 4.6333 7.4191 124.1659 57.1032 39.6583 175.3279 144 S 4.3580 8.0506 124.3653 58.0011 63.7318 174.5519 145 K 3.9476 8.0438 121.2055 56.6767 32.8136 176.3526 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 5 K 8.17 4.22 0.00 1.93 1.94 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.39 7.81 6 Q 7.54 4.04 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 7 P 0.00 4.25 0.00 2.32 2.30 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 8 F 8.37 3.80 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 9 E 8.42 4.09 0.00 2.33 1.99 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 2.38 2.51 0.00 10 R 8.05 3.92 0.00 2.07 2.13 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 11 I 8.30 3.73 1.78 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 1.35 0.45 0.78 0.00 0.00 12 L 8.03 3.96 0.00 1.87 1.79 0.96 0.79 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 13 R 8.46 3.93 0.00 2.18 2.11 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 14 E 8.23 4.07 0.00 2.22 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 2.49 2.49 0.00 15 I 7.81 3.77 2.02 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 1.52 0.91 0.93 0.00 0.00 16 C 8.43 4.21 0.00 3.22 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 17 F 8.61 4.13 0.00 3.20 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 18 M 8.22 3.96 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.68 0.00 19 V 8.02 3.72 2.24 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 0.89 0.00 0.00 1.06 0.00 0.00 20 K 7.98 3.79 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.45 7.81 21 V 7.26 3.32 1.64 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 0.63 0.00 0.00 0.12 0.00 0.00 22 E 8.14 3.82 0.00 1.43 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 23 G 7.75 3.58 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 0.00 0.00 0.00 24 R 7.72 3.86 0.00 1.68 1.73 0.00 3.01 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.50 0.00 25 K 7.67 3.95 0.00 1.85 1.77 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.55 7.81 26 V 7.61 3.75 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 0.75 0.00 0.00 0.96 0.00 0.00 27 L 7.74 4.33 0.00 1.68 1.63 0.40 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.66 3.99 0.00 1.84 1.97 0.00 3.21 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 29 D 7.97 4.49 0.00 2.49 2.36 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 30 F 8.05 4.71 0.00 3.00 3.07 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 31 G 7.88 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 32 I 7.63 4.08 1.77 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 0.93 0.39 0.82 0.00 0.00 33 T 8.64 4.32 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 1.27 0.00 0.00 34 P 0.00 4.25 0.00 2.20 2.17 0.00 3.61 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 2.12 2.15 0.00 35 A 8.04 4.06 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 36 Q 7.95 3.97 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 F 8.52 4.12 0.00 3.01 3.20 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 0.00 38 D 8.28 4.22 0.00 2.94 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 39 I 7.59 3.67 2.00 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 1.52 1.19 0.92 0.00 0.00 40 L 7.67 3.93 0.00 1.59 1.53 0.63 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.90 3.75 0.00 2.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 42 K 7.76 4.06 0.00 2.01 1.95 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.46 1.57 7.81 43 I 7.66 4.14 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 1.03 0.00 0.00 44 Y 7.93 3.85 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 45 F 8.01 4.70 0.00 3.30 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 46 E 8.40 4.53 0.00 2.07 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 2.32 2.46 0.00 47 G 8.27 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 0.00 0.00 0.00 48 P 0.00 4.79 0.00 1.67 2.05 0.00 3.50 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 1.85 2.07 0.00 49 K 8.96 5.06 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.57 7.81 50 R 9.40 4.09 0.00 1.53 1.50 0.00 2.95 0.00 0.00 2.81 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.40 0.00 51 P 0.00 4.31 0.00 2.03 2.09 0.00 3.21 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 52 G 7.95 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 53 E 8.05 4.04 0.00 2.19 2.02 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 2.33 2.31 0.00 54 L 7.87 4.10 0.00 1.81 1.72 0.95 0.89 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 55 S 7.87 4.20 0.00 4.21 4.11 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 0.00 0.00 0.00 0.00 56 V 7.53 3.56 2.21 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 0.82 0.00 0.00 0.99 0.00 0.00 57 L 7.55 4.10 0.00 1.69 1.89 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.87 4.28 0.00 1.69 1.72 0.93 1.02 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 59 G 8.73 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 60 V 7.43 4.49 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 0.77 0.00 0.00 0.94 0.00 0.00 61 A 8.18 4.24 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 62 K 8.68 3.80 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 63 S 8.12 4.16 0.00 4.09 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 64 T 7.83 3.85 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 1.22 0.00 0.00 65 V 7.64 3.60 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 1.09 0.00 0.00 1.01 0.00 0.00 66 T 8.60 4.01 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 1.24 0.00 0.00 67 G 7.98 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 68 L 7.96 4.05 0.00 1.89 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.30 3.64 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 0.98 0.00 0.00 1.03 0.00 0.00 70 K 8.29 3.84 0.00 2.02 1.99 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 71 R 7.94 3.93 0.00 1.99 2.08 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 72 L 8.13 4.21 0.00 1.95 1.81 0.92 0.70 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 73 E 9.09 4.36 0.00 2.18 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 2.52 2.36 0.00 74 A 8.03 4.09 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 75 D 7.99 4.76 0.00 3.01 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 76 G 7.62 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 77 Y 8.16 4.59 0.00 2.92 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 78 L 7.91 5.35 0.00 1.60 1.55 0.97 0.64 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 79 T 9.43 4.88 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 80 R 8.55 5.45 0.00 1.63 1.77 0.00 2.84 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 81 T 8.46 4.84 4.29 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 1.23 0.00 0.00 82 P 0.00 4.84 0.00 2.03 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 83 D 9.23 4.67 0.00 2.77 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 *88 R 7.71 4.38 0.00 1.92 1.97 0.00 3.30 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 89 A 7.99 4.74 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 90 Y 7.87 5.40 0.00 3.05 2.91 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 0.00 0.00 0.00 0.00 91 F 9.10 4.93 0.00 3.03 3.05 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 0.00 0.00 0.00 92 L 9.35 5.03 0.00 1.73 1.68 1.12 1.31 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 93 V 9.20 4.81 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 0.84 0.00 0.00 0.95 0.00 0.00 94 I 8.42 4.50 1.90 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 1.47 0.96 0.91 0.00 0.00 95 T 8.49 4.39 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 1.22 0.00 0.00 96 R 8.62 4.01 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 97 K 8.03 4.05 0.00 1.72 1.87 0.00 1.58 0.00 0.00 1.20 0.00 0.00 2.28 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.46 7.81 98 G 8.11 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 99 E 8.76 4.20 0.00 2.23 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 0.00 2.50 2.59 0.00 100 E 8.54 4.01 0.00 2.23 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 0.00 2.39 2.38 0.00 101 V 7.42 3.00 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 0.52 0.00 0.00 0.53 0.00 0.00 102 I 7.49 3.62 0.77 0.00 0.00 0.52 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 0.16 -0.19 0.00 0.00 103 E 8.13 3.95 0.00 2.10 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 2.39 2.39 0.00 104 K 8.30 4.06 0.00 2.06 1.99 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.81 7.81 105 V 7.71 3.51 2.29 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 1.01 0.00 0.00 0.72 0.00 0.00 106 I 8.07 3.74 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.42 1.01 0.00 0.00 107 E 8.25 3.97 0.00 2.20 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 0.00 2.34 2.35 0.00 108 R 8.27 3.90 0.00 1.95 2.11 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 109 R 8.22 3.98 0.00 2.11 2.04 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 110 E 8.64 4.00 0.00 2.24 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 2.38 2.57 0.00 111 N 8.58 4.62 0.00 2.91 2.92 0.00 0.00 6.72 8.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.32 4.40 0.00 3.15 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 0.00 113 I 8.08 3.57 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.88 0.00 0.00 114 E 8.56 4.01 0.00 2.10 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 0.00 2.31 2.22 0.00 115 K 8.03 3.91 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.73 7.81 116 I 7.33 3.56 1.87 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.15 0.79 0.00 0.00 117 T 8.01 4.27 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 1.21 0.00 0.00 118 S 7.63 4.11 0.00 4.06 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 0.00 119 D 7.81 4.47 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 120 L 7.61 4.22 0.00 1.55 1.70 0.90 1.32 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 0.00 121 G 7.50 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 0.00 122 K 8.40 4.00 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 123 E 8.04 3.91 0.00 2.04 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 0.00 2.39 2.37 0.00 124 K 7.98 3.98 0.00 1.86 1.90 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 125 S 8.00 4.13 0.00 4.15 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 0.00 126 S 8.03 4.20 0.00 4.05 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 0.00 127 K 8.16 4.06 0.00 2.07 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.63 7.81 128 I 8.23 3.80 1.89 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 1.40 0.68 0.92 0.00 0.00 129 L 8.22 3.95 0.00 1.86 1.83 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.20 4.33 0.00 2.85 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 0.00 131 Y 8.30 4.04 0.00 3.03 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 0.00 132 L 8.39 4.07 0.00 1.88 1.74 0.93 1.13 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 0.00 133 K 8.37 3.95 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 134 E 8.11 3.90 0.00 1.97 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 2.29 0.00 135 L 8.20 4.00 0.00 2.00 1.98 1.05 0.84 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 0.00 136 K 8.32 4.03 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 137 G 8.12 3.61 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 0.00 0.00 0.00 138 V 7.91 3.64 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 0.97 0.00 0.00 0.99 0.00 0.00 139 M 8.18 4.00 0.00 2.14 2.15 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 2.61 2.47 0.00 140 E 8.58 4.09 0.00 2.21 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 2.35 2.35 0.00 141 R 7.75 3.95 0.00 1.99 2.10 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 142 N 7.80 4.79 0.00 2.77 2.88 0.00 0.00 6.96 8.31 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 0.00 143 F 7.42 4.63 0.00 2.96 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 0.00 144 S 8.05 4.36 0.00 3.70 3.62 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 0.00 0.00 0.00 0.00 145 K 8.04 3.95 0.00 1.59 1.56 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.15 1.14 7.81 * Residues marked with a * may have inaccurate shift predictions.