NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2397 8.3344 116.7851 58.4276 65.1648 173.8343 -7 D 5.1936 7.5275 124.5854 51.2283 40.7308 174.2446 -6 P 4.1947 0.0000 0.0000 65.4940 32.2239 177.7165 -5 S 5.0190 8.2403 111.2592 58.4873 63.1257 174.5747 -4 S 4.7703 8.4273 117.3118 58.4232 63.9271 176.1037 -3 I 4.4185 7.8295 121.8528 63.0240 37.7675 177.7321 -2 N 5.1121 7.5233 115.7051 52.2538 39.4592 176.2706 -1 G 3.9820 7.8879 107.2565 44.6330 0.0000 172.4307 -7 G 4.5136 7.5174 112.9854 42.1283 0.0000 172.8446 -6 I 3.9447 9.2719 128.6277 63.2940 38.9239 176.8165 -5 V 4.6690 7.9603 114.7592 62.3873 32.2257 176.2747 -4 V 4.4203 8.1473 120.8118 62.3232 33.0271 177.8037 -3 A 4.5685 8.0695 125.7528 54.4240 18.0675 179.1321 -2 M 4.8521 7.4033 116.6051 54.5538 33.4592 177.3706 -1 T 4.3720 7.7079 112.0565 61.3330 68.1858 172.2307 8 G 3.9098 8.4714 111.3766 44.3240 0.0000 171.5329 9 K 3.9860 8.6177 121.8122 56.8936 31.6874 177.1479 10 D 4.7077 8.7797 126.4184 54.6681 38.5718 173.0759 11 C 4.7012 7.3363 111.7711 57.6145 32.7341 172.5357 12 V 4.9710 7.8141 111.5397 59.9090 35.3262 174.6060 13 A 4.6792 8.3881 123.3327 50.2319 22.2348 175.3679 14 I 5.1925 8.1594 119.9464 59.3988 40.8238 174.0908 15 A 5.0004 8.5610 129.8163 50.6077 22.3833 174.2194 16 C 5.3736 8.2749 112.3729 57.3002 32.5919 173.2321 17 D 4.7279 8.5699 120.3375 52.7510 41.1758 175.7708 18 L 5.0315 8.1956 114.5695 53.6807 43.2663 176.6780 19 R 4.7398 8.2032 119.4928 56.3234 31.3706 175.9713 20 L 4.4653 8.7130 126.4655 54.1620 45.1501 174.6676 21 G 4.5459 8.4487 112.8911 44.5922 0.0000 171.8838 22 S 4.5970 8.9589 113.6338 55.5635 62.7088 175.3167 23 Q 3.5998 8.5833 128.3667 56.4253 26.9679 177.3814 24 S 4.1483 8.8229 121.7658 61.4205 63.2466 173.8212 25 L 4.1755 7.7963 124.4043 53.9028 41.9466 175.9725 26 G 3.9963 8.5731 115.9475 45.4430 0.0000 172.5371 27 V 4.2073 8.6251 122.7020 63.5029 33.8870 175.9258 28 S 4.6914 7.7053 112.4957 56.6722 65.3002 173.1659 29 N 5.0346 8.8708 122.6356 52.6812 37.3301 174.5006 30 K 4.6177 8.0689 116.0464 56.7231 33.9435 176.8533 31 F 4.5711 8.6096 125.4562 57.1013 38.9810 174.0707 32 E 4.0311 8.1939 124.1696 55.6344 30.3931 176.6264 33 K 4.2568 8.3610 120.9075 55.9896 33.9222 175.0805 34 I 4.7232 6.9093 120.6836 59.4937 39.4932 174.8013 35 F 4.9706 9.3132 124.0917 56.1421 44.0960 173.1472 36 H 4.9805 7.4599 113.7254 53.5110 31.9873 172.4683 *38 Y 4.6766 7.9516 116.8045 58.7910 39.0242 175.7035 39 G 3.9387 8.1438 117.4979 47.2337 0.0000 172.9695 40 H 4.7215 8.9627 120.1355 54.8735 28.9558 174.0653 41 V 4.2375 7.3837 121.7149 61.8113 33.0231 174.5372 42 F 5.0657 9.2823 126.6679 55.6876 41.9970 174.5053 43 L 5.2375 9.4448 124.3254 53.5272 45.3930 175.1007 44 G 4.5328 9.4665 114.0148 44.7037 0.0000 172.1416 45 I 5.2169 9.0609 124.5633 59.5847 40.4823 175.2736 46 T 4.4878 8.4191 116.7837 60.0840 71.8489 172.1152 47 G 4.1160 8.7678 104.9858 43.8790 0.0000 172.9124 48 L 4.1146 8.9578 123.6205 55.0438 42.6231 178.3336 49 A 4.1494 10.0948 128.7121 55.9768 18.1796 178.9875 50 T 3.8306 7.9980 110.7000 65.6016 67.3519 175.7238 51 D 4.4046 8.1726 120.2509 56.8349 40.9619 178.7668 52 V 3.6558 7.9214 119.0597 66.3373 31.6229 178.2162 53 T 3.8241 8.3704 115.7712 66.9659 68.2465 176.7948 54 T 3.7480 7.9710 117.5669 66.6271 68.3850 176.7408 55 L 3.3891 8.0071 121.2467 57.4494 41.4789 179.1038 56 N 4.4947 7.7443 118.3060 56.2749 38.7833 176.8487 57 E 3.9189 7.9737 119.9612 59.3692 29.3673 179.1476 58 M 3.7299 7.8514 118.5149 58.6759 32.2448 178.4362 59 F 4.3084 7.9643 118.1986 60.1087 38.9728 177.8060 60 R 3.8278 8.2061 118.8922 59.4726 29.9816 177.6523 61 Y 4.0478 7.9183 119.3090 61.0073 38.7608 178.5636 62 K 4.2807 8.6221 119.8057 59.6720 32.2275 179.5405 63 T 4.0451 8.4297 110.3525 64.3362 68.6780 176.7516 64 N 4.3514 8.2634 119.7903 56.4254 38.7166 177.3246 65 L 4.0081 7.7714 119.8936 57.6992 41.6483 178.9219 66 Y 3.9749 8.2524 119.6051 60.7118 38.7681 178.0879 67 K 4.4038 8.2796 121.7474 59.1225 32.0471 178.6528 68 L 3.9827 7.8091 118.1852 57.2951 41.5382 179.1710 69 K 4.1624 7.6310 117.1869 59.0585 32.8795 178.9114 70 E 3.8851 8.4428 118.6635 56.7611 29.1016 177.2754 71 E 4.2095 8.3085 117.1947 56.5145 27.6615 174.2027 72 R 4.5690 7.1153 109.2192 55.0018 32.4990 174.0106 73 A 4.3080 8.4368 122.5902 51.7296 19.2083 177.6129 74 I 3.7624 8.1278 121.2983 60.9676 38.6392 176.0027 75 E 4.5800 8.3094 125.2206 54.2323 32.5019 175.6308 76 P 4.3559 0.0000 0.0000 66.1520 31.3011 178.8129 77 E 3.9955 8.1770 116.4899 59.8647 29.4670 179.5525 78 T 3.9122 7.8446 115.2179 66.4935 68.5666 176.4880 79 F 4.0437 8.5711 123.0472 61.5331 39.4054 177.1441 80 T 3.6901 8.0585 115.3623 66.8613 68.2225 176.5516 81 Q 3.9539 7.6896 119.9582 58.7398 28.7078 178.4682 82 L 3.9047 7.7172 121.4827 57.8237 41.9523 179.2872 83 V 3.3576 7.5040 118.6450 65.8378 31.4488 177.6993 84 S 4.0894 7.8673 113.0867 61.7023 62.0910 176.4870 85 S 4.2048 8.1988 116.6606 61.4796 62.5051 176.5657 86 S 4.1756 7.9800 118.2029 61.2888 62.8298 176.3455 87 L 4.2284 8.3534 122.0555 58.0713 41.4998 178.9408 88 Y 3.8310 8.2388 119.2584 60.2907 38.4134 177.5414 89 E 4.0452 7.9527 119.2824 57.9335 29.8749 177.0965 90 R 4.4235 7.6162 118.4293 55.3753 30.9686 178.0627 91 R 3.1844 7.1490 120.6074 59.0985 29.7830 177.0069 92 F 4.8599 7.3167 112.7868 56.7941 39.6816 176.7440 93 G 4.0779 7.5373 105.4034 44.0701 0.0000 172.2140 94 P 4.0508 0.0000 0.0000 62.3974 32.5194 175.9953 95 Y 4.2014 7.7556 117.0721 57.8336 38.9437 176.8645 96 F 4.7645 9.1068 125.1887 56.4554 37.3989 174.6521 97 V 5.0366 7.8058 113.6135 59.6431 36.7801 176.2856 98 G 4.1390 8.9612 108.7001 43.8895 0.0000 170.5011 99 P 5.1497 0.0000 0.0000 62.5784 33.0270 175.9062 100 V 4.4330 8.8101 121.5791 61.6256 34.8866 173.7731 101 V 5.0962 8.6071 127.4343 61.3946 33.5158 174.5549 102 A 4.7473 9.1547 127.9838 49.8051 22.9311 175.6164 103 G 4.3292 7.7457 108.0417 46.7032 0.0000 171.5956 104 I 4.6290 7.9995 120.1784 58.9166 39.6587 175.6904 105 N 4.9855 8.7660 121.5202 53.4863 38.7571 174.3425 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 -8 S 8.33 4.24 0.00 3.84 3.94 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 -7 D 7.53 5.19 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 P 0.00 4.19 0.00 1.22 1.44 0.00 3.26 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 0.62 1.57 0.00 -5 S 8.24 5.02 0.00 4.03 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 -4 S 8.43 4.77 0.00 3.77 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 -3 I 7.83 4.42 1.84 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 1.44 0.72 0.88 0.00 0.00 -2 N 7.52 5.11 0.00 2.76 2.74 0.00 0.00 7.55 7.59 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 -1 G 7.89 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 0.00 0.00 0.00 -7 G 7.52 4.51 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 0.00 0.00 0.00 -6 I 9.27 3.94 1.87 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 1.41 1.12 0.91 0.00 0.00 -5 V 7.96 4.67 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.15 4.42 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 1.02 0.00 0.00 0.93 0.00 0.00 -3 A 8.07 4.57 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 -2 M 7.40 4.85 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.71 4.37 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 1.21 0.00 0.00 8 G 8.47 3.91 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 0.00 0.00 0.00 9 K 8.62 3.99 0.00 1.84 1.72 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 10 D 8.78 4.71 0.00 2.84 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 11 C 7.34 4.70 0.00 2.97 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 12 V 7.81 4.97 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 0.67 0.00 0.00 0.88 0.00 0.00 13 A 8.39 4.68 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 14 I 8.16 5.19 1.80 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 1.25 0.97 0.74 0.00 0.00 15 A 8.56 5.00 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 16 C 8.27 5.37 0.00 3.08 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 17 D 8.57 4.73 0.00 2.72 2.75 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 18 L 8.20 5.03 0.00 1.65 1.79 0.97 0.98 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 19 R 8.20 4.74 0.00 1.86 2.00 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.71 4.47 0.00 1.61 1.39 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.45 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.96 4.60 0.00 3.78 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 23 Q 8.58 3.60 0.00 2.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.82 4.15 0.00 3.97 3.99 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 0.00 0.00 0.00 25 L 7.80 4.18 0.00 1.72 1.73 0.92 1.47 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 26 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 4.21 2.20 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.71 4.69 0.00 3.85 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 29 N 8.87 5.03 0.00 2.86 2.87 0.00 0.00 5.88 7.13 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 30 K 8.07 4.62 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.61 4.57 0.00 3.19 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 32 E 8.19 4.03 0.00 1.59 1.60 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 2.21 2.23 0.00 33 K 8.36 4.26 0.00 1.62 2.00 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.55 7.81 34 I 6.91 4.72 1.70 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 1.20 0.78 1.00 0.00 0.00 35 F 9.31 4.97 0.00 2.72 2.65 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 0.00 0.00 0.00 36 H 7.46 4.98 0.00 1.89 1.64 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.68 0.00 2.70 2.84 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 0.00 0.00 0.00 0.00 39 G 8.14 3.94 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 0.00 0.00 0.00 40 H 8.96 4.72 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.38 4.24 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 0.67 0.00 0.00 0.72 0.00 0.00 42 F 9.28 5.07 0.00 3.13 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 43 L 9.44 5.24 0.00 2.00 1.74 1.15 1.57 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 44 G 9.47 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 9.06 5.22 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.23 1.06 0.00 0.00 46 T 8.42 4.49 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 1.28 0.00 0.00 47 G 8.77 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.96 4.11 0.00 1.99 1.77 0.99 1.56 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 49 A 10.09 4.15 1.08 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 0.00 0.00 50 T 8.00 3.83 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 1.29 0.00 0.00 51 D 8.17 4.40 0.00 3.07 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 52 V 7.92 3.66 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 1.39 0.00 0.00 1.23 0.00 0.00 53 T 8.37 3.82 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 1.25 0.00 0.00 54 T 7.97 3.75 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 1.03 0.00 0.00 55 L 8.01 3.39 0.00 1.60 1.67 0.91 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.74 4.49 0.00 1.54 2.38 0.00 0.00 6.84 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 57 E 7.97 3.92 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 2.30 2.38 0.00 58 M 7.85 3.73 0.00 1.51 1.63 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 59 F 7.96 4.31 0.00 2.94 2.57 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 0.00 0.00 0.00 0.00 60 R 8.21 3.83 0.00 2.17 2.15 0.00 3.15 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 1.70 1.78 0.00 61 Y 7.92 4.05 0.00 3.16 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 62 K 8.62 4.28 0.00 1.97 1.98 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.62 7.81 63 T 8.43 4.05 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 1.00 0.00 0.00 64 N 8.26 4.35 0.00 2.95 2.86 0.00 0.00 6.86 6.09 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 65 L 7.77 4.01 0.00 1.77 1.75 0.96 0.85 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 66 Y 8.25 3.97 0.00 3.19 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 67 K 8.28 4.40 0.00 2.15 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 68 L 7.81 3.98 0.00 1.84 1.70 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.63 4.16 0.00 1.61 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.60 7.81 70 E 8.44 3.89 0.00 1.57 1.70 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 1.61 1.47 0.00 71 E 8.31 4.21 0.00 2.09 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 2.22 2.19 0.00 72 R 7.12 4.57 0.00 2.08 2.00 0.00 2.84 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 73 A 8.44 4.31 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 74 I 8.13 3.76 1.10 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 1.17 -0.02 0.68 0.00 0.00 75 E 8.31 4.58 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.36 0.00 2.19 2.16 0.00 3.65 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 2.17 2.21 0.00 77 E 8.18 4.00 0.00 2.08 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 78 T 7.84 3.91 4.33 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 1.23 0.00 0.00 79 F 8.57 4.04 0.00 3.03 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 80 T 8.06 3.69 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 1.17 0.00 0.00 81 Q 7.69 3.95 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82 L 7.72 3.90 0.00 1.67 1.49 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.50 3.36 1.86 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 0.91 0.00 0.00 -0.44 0.00 0.00 84 S 7.87 4.09 0.00 3.98 3.94 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 85 S 8.20 4.20 0.00 4.12 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 86 S 7.98 4.18 0.00 4.24 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 87 L 8.35 4.23 0.00 1.89 1.76 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.24 3.83 0.00 3.16 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 89 E 7.95 4.05 0.00 2.11 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 0.00 2.27 2.33 0.00 90 R 7.62 4.42 0.00 1.67 1.67 0.00 2.98 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.00 91 R 7.15 3.18 0.00 0.67 1.03 0.00 2.68 0.00 0.00 2.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.32 4.86 0.00 3.01 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 93 G 7.54 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 0.00 0.00 0.00 94 P 0.00 4.05 0.00 1.88 1.81 0.00 3.56 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 1.44 1.81 0.00 95 Y 7.76 4.20 0.00 2.92 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 96 F 9.11 4.76 0.00 3.07 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 97 V 7.81 5.04 2.26 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 0.81 0.00 0.00 1.08 0.00 0.00 98 G 8.96 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 99 P 0.00 5.15 0.00 1.99 2.08 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 100 V 8.81 4.43 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 0.97 0.00 0.00 0.97 0.00 0.00 101 V 8.61 5.10 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 0.97 0.00 0.00 1.12 0.00 0.00 102 A 9.15 4.75 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 0.00 103 G 7.75 4.33 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 0.00 104 I 8.00 4.63 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 1.31 0.73 0.92 0.00 0.00 105 N 8.77 4.99 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.