NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2475 8.3331 121.7116 55.4688 31.0474 175.1794 3 G 3.8707 7.7426 105.4763 42.7801 0.0000 171.9989 4 D 4.3903 9.2793 122.9645 53.6321 43.6153 174.1821 5 P 4.2367 0.0000 0.0000 65.7625 31.3842 178.6438 6 D 4.3330 8.4537 117.8737 57.2234 40.7296 178.8234 7 V 3.5881 7.9792 118.2847 66.1131 31.5765 177.9461 8 L 3.9855 8.2056 118.8766 57.7281 41.4116 179.4891 9 R 3.9462 8.0452 118.7953 58.9440 29.9514 178.3878 10 L 3.9215 7.9107 120.4040 58.1241 42.0693 178.9102 11 L 3.9801 8.0702 119.0406 58.0182 41.5663 179.3817 12 N 4.3311 8.2861 116.2637 56.0045 38.3881 177.4911 13 E 3.9323 8.1274 120.4120 59.3894 29.4900 179.0661 14 Q 3.9319 8.2108 119.7018 58.9154 29.1160 177.8707 15 L 3.8315 8.1720 121.7592 58.5245 42.0910 179.1031 16 T 3.7604 7.8181 115.5949 66.7015 68.3736 176.5744 17 S 4.0722 7.9905 115.0297 61.1691 62.2681 176.1429 18 E 3.8844 8.2943 121.7314 59.4187 29.2542 179.2803 19 L 3.8676 7.8344 118.9381 57.8923 41.5861 179.7845 20 T 3.7335 7.8206 115.4924 66.5425 68.4422 176.5028 21 A 3.3662 7.7712 122.5336 54.8516 18.1991 179.6394 22 I 3.4760 7.6517 118.3400 64.5808 37.1602 178.3296 23 N 4.2787 7.7430 116.6138 56.3258 38.4191 177.1800 24 Q 3.8549 7.9533 120.7063 59.4899 29.1766 178.0064 25 Y 4.4140 8.2589 118.0026 61.0784 37.9350 178.3915 26 F 3.9973 8.5829 121.8625 61.2284 39.3180 176.8326 27 L 3.8769 7.9655 118.6370 58.5626 41.9251 178.2769 28 H 4.3036 8.0587 115.3003 58.8324 28.9176 177.6089 29 S 4.2458 8.0091 116.1130 61.1644 62.6882 177.0167 30 K 3.8000 7.4387 118.6736 56.8608 31.4234 178.7211 *32 Q 4.4532 8.0075 120.5863 56.1726 31.0475 177.1383 33 D 4.2676 8.0694 117.1592 57.3116 41.2820 177.8347 34 N 4.4610 7.9489 115.9540 55.7003 39.0388 175.6999 35 W 4.5541 7.7887 116.4238 57.5417 29.5008 176.9468 36 G 3.9127 7.7331 105.1506 45.4027 0.0000 175.2680 37 F 4.9008 7.7980 121.3161 56.9109 35.2183 176.1098 38 T 4.2017 7.7427 112.6148 64.4049 68.9610 177.0017 39 E 3.9887 8.0522 121.7514 59.2434 29.5560 178.9142 40 L 3.8941 8.0653 119.6808 58.1673 42.1668 178.5608 41 A 4.1680 8.1142 120.2821 55.2077 18.2684 179.3914 42 A 3.9478 7.7759 118.4251 55.5197 18.5066 179.4247 43 H 3.9959 7.7700 116.3704 59.8392 30.0807 177.7540 44 T 3.9451 8.0176 117.5781 66.4411 68.1226 176.7001 45 R 3.9319 8.3095 120.7205 59.4445 30.1371 178.4336 46 A 4.2240 8.0986 120.5568 55.2441 18.3525 179.4261 47 E 3.8789 8.0037 116.9513 59.6013 29.2904 179.7682 48 S 4.3686 7.8929 112.7812 61.3769 63.1830 176.2447 49 F 4.3098 7.8995 120.5198 60.0680 39.0594 176.9058 50 D 4.5125 8.2853 118.0919 57.0402 41.0755 179.2638 51 E 4.4064 8.0996 120.1044 56.0612 29.4260 179.1219 *53 R 4.2422 8.0289 120.5583 56.8275 32.2849 176.9248 54 H 4.2756 8.0939 114.3009 58.9146 28.6745 177.3758 55 A 3.9422 8.2558 122.8250 55.3636 18.0134 179.4003 56 E 3.9476 8.1201 117.0286 59.4012 29.8796 178.5145 57 E 3.9806 8.2841 118.6421 59.6512 29.4757 179.5368 58 I 3.7269 8.0507 119.8468 64.5862 37.0732 178.4844 59 T 3.9260 7.9650 116.5835 66.8036 68.2958 176.0494 60 D 4.3802 8.3656 120.8887 57.5123 41.0384 178.9778 61 R 3.8754 7.9660 118.8123 59.4804 30.0211 178.3747 62 I 3.6971 8.0172 119.7926 64.5767 37.1647 178.3384 63 L 3.9753 8.1392 119.7550 57.8501 41.2460 179.4297 64 L 4.0235 7.9562 119.1188 57.6704 41.9914 177.9660 65 L 4.4237 7.4422 116.4008 53.9666 41.6339 176.3494 66 D 4.4156 7.9091 117.1940 55.2287 38.7368 174.2613 67 G 3.9139 8.0740 108.5682 44.5641 0.0000 173.7791 68 L 4.6044 8.0247 118.9999 51.9061 42.7717 175.2482 69 P 4.3984 0.0000 0.0000 62.4739 31.7474 175.7361 70 N 4.6566 9.2894 123.2180 53.2990 38.4622 173.8068 71 Y 4.4529 8.6610 122.2978 57.8159 38.6274 176.3382 72 Q 4.3186 8.6729 122.8794 56.4044 30.0516 175.5198 73 R 4.5419 7.9165 117.5780 54.4410 31.5120 175.0002 74 I 4.4890 8.0706 125.0197 59.2708 40.2182 175.7286 75 G 3.8885 8.4882 113.1504 44.4591 0.0000 173.1960 76 S 4.3278 8.3078 115.6672 57.6936 63.1298 174.7093 77 L 4.0540 8.4403 126.0245 54.7451 41.9533 177.2835 78 R 4.3910 8.7114 122.7551 54.5459 29.9370 175.2510 79 I 4.2225 8.1326 123.9655 59.9213 37.6031 176.6274 80 G 3.9086 8.8586 114.9266 45.5591 0.0000 172.8814 81 Q 4.9197 8.8494 119.7339 55.6734 29.7855 176.1701 82 T 4.3710 7.3920 108.2406 58.6102 73.2534 174.2140 83 L 3.6995 8.2613 122.1222 58.2892 41.6411 179.7750 84 R 3.9517 7.8560 117.5555 59.7159 29.9756 178.1558 85 E 4.0185 7.9569 118.0854 59.3985 29.3506 179.4469 86 Q 3.8075 7.8639 118.1385 58.8851 28.7668 178.6118 87 F 4.4588 7.6939 118.7384 60.8588 39.0743 177.6835 88 E 4.0665 8.4259 117.9378 59.2292 29.3258 179.2496 89 A 4.0914 8.6469 121.2697 55.4121 18.3739 179.5087 90 D 4.7193 8.5299 117.5746 57.3754 40.9573 178.7200 91 L 3.7638 8.2116 120.8380 57.8494 41.8898 178.8702 92 A 4.1979 8.0095 120.4929 55.2941 18.3738 179.6596 93 I 3.7078 7.4889 116.8837 64.5788 37.1899 178.4670 94 E 4.0120 7.9428 119.5188 59.6494 29.2535 179.1118 95 Y 4.3216 7.5502 116.1208 61.2879 37.9795 178.0999 96 D 4.4404 8.0166 119.9498 57.4508 40.8877 179.0928 97 V 3.5852 7.9140 118.4390 66.0597 31.5291 177.9596 98 L 3.9991 7.9590 118.4145 58.1687 41.3493 179.3399 99 N 4.3707 8.6275 115.0186 56.0958 38.2811 177.0977 100 R 4.1366 7.9577 119.9397 59.1884 30.3612 178.4410 101 L 4.1029 8.3618 118.9264 57.0756 41.3739 179.5872 102 K 3.9582 7.8365 118.1592 59.1968 32.4072 177.3057 103 P 4.4985 0.0000 0.0000 65.2624 31.0387 178.9116 104 G 3.6671 7.5145 103.6059 47.8290 0.0000 175.4301 105 I 3.9271 8.0568 122.6495 63.9622 37.0904 179.6230 106 V 3.5370 7.1425 115.7357 63.7518 30.9751 177.2480 *108 C 4.5105 8.1845 117.8505 59.4198 30.1233 176.5227 109 R 4.0445 7.9213 118.2954 59.0225 29.9287 178.8502 110 E 4.0045 8.0863 117.0054 59.1912 29.4527 178.0074 111 K 4.1866 7.9793 115.0646 56.3433 32.3709 176.6178 112 Q 3.6049 7.8329 116.9591 57.1431 26.4433 173.8084 113 D 4.7470 8.1973 120.3821 53.0669 40.4833 176.2615 114 T 4.1043 8.0288 116.5478 64.0404 69.4979 176.9251 115 T 3.9437 7.8265 118.4740 66.6328 68.5931 176.6542 116 S 4.1662 8.2519 116.6730 61.2529 62.7529 176.5452 117 A 3.9672 7.7257 123.6503 55.2450 18.2180 179.8671 118 V 3.5122 8.2348 117.2187 65.9234 31.6582 177.9840 119 L 3.9461 7.8306 119.7387 58.2206 41.9804 178.9969 120 L 4.0999 7.9344 118.4867 57.3633 41.5289 179.2675 121 E 3.9985 8.3498 119.2715 59.1840 29.3164 179.4503 122 K 3.9912 8.0297 118.4877 59.5054 32.1209 179.4199 123 I 3.5535 7.5631 119.6519 64.2559 36.9929 178.6570 124 V 3.5415 7.9555 118.7377 65.9020 31.0213 177.5708 125 A 4.0246 7.9261 120.5468 55.5832 18.1803 179.3437 126 D 4.3631 8.2598 117.0086 57.7710 40.8740 179.0611 127 E 4.1237 8.4545 118.9883 59.2865 29.3864 179.2405 128 E 4.0123 8.3797 118.9203 59.4852 29.6161 179.2243 129 E 4.0700 8.0153 118.2570 59.4765 29.3987 178.8425 130 H 4.3984 8.1413 118.0752 59.0767 29.9538 177.3639 131 I 3.5399 8.1173 122.1184 64.3900 36.9446 177.7989 132 D 4.3681 8.1431 118.8603 57.3968 40.9813 177.6948 133 Y 3.9953 7.8447 119.6244 60.6481 38.9181 178.1178 134 L 3.3040 8.0233 119.9903 57.7754 41.8484 179.3413 135 E 3.8985 8.4512 118.7319 59.7615 29.3282 179.6950 136 T 3.8558 7.6224 115.7946 66.4191 68.2595 176.9778 137 Q 3.6293 7.1470 119.3113 58.6780 28.5720 178.4797 138 L 3.9052 7.1471 119.0306 57.5350 41.8643 179.0274 139 E 4.0781 7.8332 118.1947 59.0003 29.5338 179.9843 140 L 4.3794 7.7277 119.9995 54.5769 41.4565 179.1786 *142 D 4.5271 8.0464 119.4812 54.4735 42.9312 177.6436 143 K 4.1205 8.1632 117.0282 59.2821 32.1341 178.3274 144 L 4.1928 8.3223 117.6679 54.8707 42.3886 178.2617 145 G 4.0277 8.1978 104.4256 45.8079 0.0000 173.6604 146 E 3.9552 8.9754 121.8230 59.5671 29.5251 179.7662 147 E 3.9932 8.1565 117.6734 59.4768 29.3926 179.1331 148 L 4.0145 7.8545 118.6252 58.1847 42.5849 177.9050 149 Y 4.1158 8.3556 119.7681 60.8316 38.7051 178.0591 150 S 4.0442 8.5888 116.1170 61.4524 62.6897 176.4873 151 A 4.0924 7.9617 122.5074 54.6435 18.1750 178.7777 152 Q 4.2008 7.6011 114.4426 56.9308 29.1903 176.1810 153 C 4.6252 8.0550 117.7073 59.3526 28.7988 173.5296 154 V 4.4825 7.4591 112.9068 59.2916 33.8225 175.4110 155 S 4.4554 8.3049 116.6924 57.7451 64.1911 173.6964 156 R 4.4323 8.1931 119.2104 53.7084 30.9486 174.3853 157 P 4.6246 0.0000 0.0000 60.6817 32.6851 174.2168 158 P 4.5005 0.0000 0.0000 63.4213 32.6200 175.8642 159 T 4.7338 7.0883 113.1446 60.8846 67.3955 175.3086 160 S 4.5207 8.7023 112.7546 59.0615 68.0794 175.0285 161 A 3.9380 8.0541 120.3501 51.4523 16.4420 177.2334 162 W 4.2820 7.9351 121.2072 56.6236 29.6358 175.3349 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 2 Q 8.33 4.25 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 3 G 7.74 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 0.00 0.00 0.00 4 D 9.28 4.39 0.00 2.80 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 5 P 0.00 4.24 0.00 2.19 2.09 0.00 3.65 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 2.11 2.18 0.00 6 D 8.45 4.33 0.00 2.91 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 7 V 7.98 3.59 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 1.18 0.00 0.00 0.93 0.00 0.00 8 L 8.21 3.99 0.00 1.88 1.70 0.92 1.00 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 9 R 8.05 3.95 0.00 1.90 2.04 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 10 L 7.91 3.92 0.00 1.81 1.86 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.07 3.98 0.00 1.86 1.69 0.92 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 12 N 8.29 4.33 0.00 2.88 2.84 0.00 0.00 7.05 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 13 E 8.13 3.93 0.00 2.24 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 2.31 2.46 0.00 14 Q 8.21 3.93 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 15 L 8.17 3.83 0.00 1.77 1.71 0.65 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.82 3.76 4.36 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 1.16 0.00 0.00 17 S 7.99 4.07 0.00 3.96 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 18 E 8.29 3.88 0.00 2.08 1.92 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 2.59 2.46 0.00 19 L 7.83 3.87 0.00 1.57 1.61 0.59 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.82 3.73 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 1.14 0.00 0.00 21 A 7.77 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.65 3.48 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.81 0.00 0.00 23 N 7.74 4.28 0.00 2.73 2.83 0.00 0.00 6.74 8.79 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 24 Q 7.95 3.85 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.29 0.00 25 Y 8.26 4.41 0.00 2.97 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 26 F 8.58 4.00 0.00 3.07 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 27 L 7.97 3.88 0.00 1.68 1.72 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.06 4.30 0.00 3.41 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.01 4.25 0.00 4.14 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 0.00 30 K 7.44 3.80 0.00 1.69 1.63 0.00 1.19 0.00 0.00 0.75 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 1.31 7.81 *32 Q 8.01 4.45 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 D 8.07 4.27 0.00 2.80 2.61 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 34 N 7.95 4.46 0.00 2.68 2.63 0.00 0.00 7.33 7.83 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 35 W 7.79 4.55 0.00 3.70 2.93 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 36 G 7.73 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 37 F 7.80 4.90 0.00 3.39 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 38 T 7.74 4.20 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 1.23 0.00 0.00 39 E 8.05 3.99 0.00 2.11 2.07 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 2.28 2.48 0.00 40 L 8.07 3.89 0.00 1.86 1.96 1.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.17 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.95 1.36 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 0.00 0.00 43 H 7.77 4.00 0.00 3.10 3.49 0.00 5.59 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 44 T 8.02 3.95 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 1.28 0.00 0.00 45 R 8.31 3.93 0.00 2.00 2.20 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.89 0.00 46 A 8.10 4.22 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 47 E 8.00 3.88 0.00 2.13 1.78 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 2.34 2.29 0.00 48 S 7.89 4.37 0.00 4.23 4.15 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 49 F 7.90 4.31 0.00 3.22 3.12 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 50 D 8.29 4.51 0.00 2.98 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 51 E 8.10 4.41 0.00 2.21 1.92 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 2.73 2.52 0.00 *53 R 8.03 4.24 0.00 1.88 2.14 0.00 3.19 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 54 H 8.09 4.28 0.00 3.55 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.26 3.94 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 56 E 8.12 3.95 0.00 2.09 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 0.00 2.40 2.44 0.00 57 E 8.28 3.98 0.00 2.26 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 2.36 2.39 0.00 58 I 8.05 3.73 1.86 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 1.51 0.85 0.93 0.00 0.00 59 T 7.97 3.93 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 1.36 0.00 0.00 60 D 8.37 4.38 0.00 2.91 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 61 R 7.97 3.88 0.00 1.94 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 62 I 8.02 3.70 2.04 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 1.53 0.60 0.98 0.00 0.00 63 L 8.14 3.98 0.00 1.83 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.96 4.02 0.00 1.76 1.87 0.93 0.90 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 65 L 7.44 4.42 0.00 1.84 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.91 4.42 0.00 2.82 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 67 G 8.07 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 68 L 8.02 4.60 0.00 1.64 1.63 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.34 2.18 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 70 N 9.29 4.66 0.00 2.65 2.70 0.00 0.00 7.09 7.10 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 71 Y 8.66 4.45 0.00 2.91 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 72 Q 8.67 4.32 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 73 R 7.92 4.54 0.00 1.78 1.76 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 74 I 8.07 4.49 1.84 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 1.32 0.78 0.86 0.00 0.00 75 G 8.49 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 0.00 0.00 0.00 76 S 8.31 4.33 0.00 3.88 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 77 L 8.44 4.05 0.00 1.60 1.59 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.71 4.39 0.00 1.83 1.94 0.00 3.19 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 79 I 8.13 4.22 1.92 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 1.36 0.78 0.97 0.00 0.00 80 G 8.86 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 81 Q 8.85 4.92 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 82 T 7.39 4.37 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 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0.00 2.06 1.88 0.58 1.07 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 92 A 8.01 4.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.71 2.09 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 1.54 0.96 0.89 0.00 0.00 94 E 7.94 4.01 0.00 1.78 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 2.65 2.51 0.00 95 Y 7.55 4.32 0.00 3.06 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 96 D 8.02 4.44 0.00 2.86 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 97 V 7.91 3.59 2.34 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 1.13 0.00 0.00 1.03 0.00 0.00 98 L 7.96 4.00 0.00 2.05 1.78 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.63 4.37 0.00 2.81 2.92 0.00 0.00 7.06 7.79 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.92 4.04 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 110 E 8.09 4.00 0.00 1.98 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 2.35 2.28 0.00 111 K 7.98 4.19 0.00 1.88 1.85 0.00 2.10 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.40 7.81 112 Q 7.83 3.60 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 113 D 8.20 4.75 0.00 2.62 2.55 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 0.00 114 T 8.03 4.10 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 0.00 115 T 7.83 3.94 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 0.00 116 S 8.25 4.17 0.00 3.88 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.02 3.30 0.00 1.68 1.53 0.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.90 0.00 1.99 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 2.37 2.44 0.00 136 T 7.62 3.86 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 1.13 0.00 0.00 137 Q 7.15 3.63 0.00 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 138 L 7.15 3.91 0.00 1.64 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.83 4.08 0.00 2.08 1.92 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 2.27 2.28 0.00 140 L 7.73 4.38 0.00 1.78 1.81 0.97 0.84 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 *142 D 8.05 4.53 0.00 2.81 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 0.00 143 K 8.16 4.12 0.00 1.74 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.57 7.81 144 L 8.32 4.19 0.00 1.73 1.77 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.20 4.03 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 0.00 0.00 0.00 146 E 8.98 3.96 0.00 2.02 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 2.37 2.40 0.00 147 E 8.16 3.99 0.00 2.08 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 2.42 2.45 0.00 148 L 7.85 4.01 0.00 1.65 1.83 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.36 4.12 0.00 3.12 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 0.00 150 S 8.59 4.04 0.00 4.15 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 0.00 151 A 7.96 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 0.00 152 Q 7.60 4.20 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 153 C 8.06 4.63 0.00 3.17 3.02 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 0.00 154 V 7.46 4.48 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 0.99 0.00 0.00 1.05 0.00 0.00 155 S 8.30 4.46 0.00 3.99 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 0.00 156 R 8.19 4.43 0.00 1.78 1.90 0.00 3.20 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 157 P 0.00 4.62 0.00 2.18 2.07 0.00 3.79 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 1.98 1.99 0.00 158 P 0.00 4.50 0.00 2.05 2.02 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 159 T 7.09 4.73 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 0.00 160 S 8.70 4.52 0.00 4.00 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 0.00 161 A 8.05 3.94 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 0.00 162 W 7.94 4.28 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.