NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3312 8.4145 122.1472 54.5050 34.3598 177.3420 6 K 4.0982 7.8861 121.4883 56.4959 32.7991 177.6016 7 Y 5.2546 7.9447 114.9020 56.7894 42.1196 174.3680 8 F 4.7543 9.7539 126.5791 57.4525 40.8924 173.8569 9 E 5.1905 9.0390 126.5727 54.4323 32.8981 174.4141 10 I 4.8095 8.8363 126.3253 59.4317 41.4469 174.1502 11 R 4.7745 8.7160 126.5957 54.2743 32.9460 174.1451 12 W 5.0769 8.7762 126.0463 55.3165 32.2923 174.7276 13 H 5.0072 9.4904 120.0308 54.2218 31.8463 173.0791 14 G 4.5899 8.5408 109.0196 45.8236 0.0000 171.5777 15 R 5.0254 9.3954 118.2830 53.6528 33.4841 175.7973 16 A 4.1673 8.9573 124.3004 54.9934 18.6791 178.0908 17 G 4.0069 9.2312 110.3918 46.3730 0.0000 174.2221 18 Q 4.1645 8.2695 117.3079 56.2739 29.3407 176.6363 19 G 3.8164 8.2258 106.4205 45.8782 0.0000 175.3291 20 A 3.5718 7.9463 123.8148 54.4823 18.2104 180.4662 21 K 3.5986 7.6962 117.8428 59.5637 32.2121 179.0839 22 S 4.0171 7.7998 112.5300 61.2887 62.9739 175.8530 23 A 3.9201 7.4778 123.4820 54.6522 18.3802 179.0275 24 S 4.0776 7.0249 111.6991 61.5829 62.1943 177.1933 25 Q 3.8901 7.8854 117.2306 56.7281 28.3811 178.1602 *27 L 4.2898 7.8518 122.9323 55.2337 44.0366 178.4028 28 A 4.0823 8.1265 120.1214 55.6036 18.3724 179.2952 29 E 3.8900 8.9419 117.3559 59.5939 29.1757 179.6408 30 A 3.9950 7.9212 119.9076 55.2592 18.5531 179.4698 31 A 4.0042 8.2356 119.2430 54.8502 18.3480 179.6484 32 L 3.8919 8.1745 119.3229 58.5551 42.0267 179.1917 33 E 4.0071 7.9329 116.1593 58.7800 29.4489 178.3403 34 A 4.3224 7.4615 118.6615 52.4240 18.6903 177.9525 35 G 3.7961 8.0588 105.5480 45.2987 0.0000 173.6272 36 K 4.6047 7.7381 117.9721 54.8287 34.0419 176.2528 37 Y 4.3794 8.6806 120.8002 58.3581 38.9118 175.2709 38 V 5.2494 8.5206 116.0699 60.0873 36.2113 174.3121 39 Q 4.7645 9.1632 122.8360 54.9830 33.0899 173.6326 40 A 5.4352 8.8894 123.1069 52.1314 22.3206 175.4536 41 F 5.0489 7.9149 116.7937 55.3436 41.7899 171.5228 42 P 5.1946 0.0000 0.0000 61.6023 33.8200 174.7980 43 E 4.6331 8.6443 118.8232 55.5297 32.5222 175.2715 44 Y 4.6147 8.5918 122.5373 56.9492 40.8145 176.4797 45 G 4.1930 8.1107 104.4296 45.4110 0.0000 171.2487 46 A 4.5930 7.7153 122.5909 50.6747 22.8881 175.8985 *48 R 4.1240 7.9906 116.7245 56.1598 30.8480 172.4136 49 T 4.1775 8.2105 110.5063 64.2317 67.7141 174.7007 50 G 3.9673 8.6560 116.9607 44.6707 0.0000 173.3168 51 A 4.2129 7.5927 121.5652 51.1465 19.2944 175.9375 52 P 4.6406 0.0000 0.0000 62.8956 32.5077 175.9761 *54 R 4.5325 8.6241 118.7198 56.3356 31.9209 174.2491 55 A 4.8483 7.5543 120.9258 50.3822 23.4753 174.7046 56 F 5.2191 8.2822 115.5502 56.1813 43.8746 173.8524 57 N 5.6070 9.4233 118.8902 51.6052 42.6924 173.5444 58 R 5.1574 9.1376 121.4169 54.5125 33.8557 174.6286 59 I 5.1413 9.1547 124.3280 59.2733 40.6750 175.2991 60 G 3.7536 9.7141 116.1464 45.3715 0.0000 173.2996 61 D 5.0163 7.7924 122.0114 52.2399 39.2021 175.4028 62 E 3.4496 7.9824 108.6681 58.0518 28.4590 175.0170 *69 A 3.3427 8.0502 124.1320 53.2512 18.3460 178.4728 70 V 4.0128 7.1090 118.1328 60.9770 30.7597 173.7428 71 E 4.3970 8.5383 126.6759 57.0278 30.5362 176.3780 72 N 5.7210 7.9395 114.0906 49.6446 38.9287 172.1173 73 P 4.4266 0.0000 0.0000 62.5026 33.1722 177.3255 74 D 4.4202 8.4874 120.3672 56.7021 42.0098 176.5152 75 V 4.7451 7.2726 117.3749 61.2348 35.4254 173.3256 76 V 4.6147 8.5395 127.1226 60.9312 34.4724 174.1704 77 V 4.5566 8.3863 127.2847 60.9765 34.3102 174.1789 78 V 4.8932 8.8917 129.0109 61.2924 33.1190 175.4525 79 I 4.2754 8.7935 121.7215 61.2000 38.7307 175.5106 80 D 4.6563 7.8507 122.7250 52.2081 42.8888 175.0555 81 E 4.1757 8.9836 126.2523 59.7068 29.5171 179.5072 82 T 3.8889 8.0578 115.3932 66.2198 68.5098 174.7571 83 L 4.3615 8.1614 119.3283 54.7493 42.0967 177.0729 84 L 4.0237 7.8200 120.6357 54.8679 42.2532 176.5465 85 S 4.7825 8.1123 114.6632 57.5455 64.9597 175.5372 86 P 4.5653 0.0000 0.0000 64.9663 31.4870 178.5540 87 A 3.9951 7.6134 122.1210 54.9428 18.3512 179.0002 88 I 3.6889 7.4268 114.4672 62.7176 38.3701 176.4257 89 V 4.1317 7.3914 118.4003 62.5652 31.7451 174.6898 90 E 4.1499 7.6663 118.6565 58.1611 29.2739 177.7070 91 G 4.4299 8.9337 110.6988 46.3053 0.0000 172.5020 92 L 4.4660 7.5020 122.2299 54.0291 41.7590 176.4155 93 S 4.4287 8.4945 120.8231 58.1826 63.1715 174.5222 94 E 4.0421 8.6294 122.0544 59.0572 29.3549 177.8189 95 D 4.6244 8.1205 115.9474 53.6207 39.3499 176.1759 96 G 4.1459 7.5262 107.0508 45.5867 0.0000 173.1504 97 I 4.9716 8.1786 119.0652 59.2300 40.9006 174.9282 98 L 4.7153 8.7016 128.3028 53.2566 44.0867 174.5073 99 L 5.1781 8.8045 129.4050 53.3209 44.6001 175.2443 100 V 4.8601 8.6423 124.9797 61.2321 35.5465 173.8616 101 N 4.8758 8.7681 126.5892 53.4540 38.6216 173.7927 102 T 4.6908 8.3419 119.1425 61.2236 70.6207 173.7182 103 V 3.9408 7.8669 125.4062 61.9330 32.1656 176.3382 104 K 4.1857 7.6380 121.0043 55.7048 33.8161 175.4377 105 D 4.5867 8.0289 119.2566 51.6783 42.9083 176.8867 106 F 4.3767 7.7671 117.5172 60.8346 38.7907 177.4176 107 E 4.0056 8.3592 118.3634 59.2549 29.4818 178.4703 108 F 4.1933 8.4643 120.4524 61.4060 39.5926 177.2972 109 V 3.3633 7.8230 117.4808 65.8659 31.2635 177.9215 110 R 3.9314 8.4329 118.9615 59.1657 29.6653 178.4991 111 K 3.8822 7.7550 118.5284 59.5627 32.0647 178.8206 112 K 3.9728 7.8495 118.9344 58.6369 31.6859 178.7605 113 T 4.3055 7.9561 109.1248 61.2451 69.7666 176.2056 114 G 3.7803 8.2733 108.1619 45.4973 0.0000 172.6753 115 F 4.5112 7.9750 122.2934 56.7483 39.1840 174.8482 116 N 4.3919 8.6983 126.0513 52.1120 39.6253 174.2570 117 G 3.6988 8.1900 106.8584 42.1579 0.0000 173.1123 118 K 4.0182 8.5886 122.1999 56.5934 33.4633 175.3215 119 I 5.1607 8.3942 127.5822 59.8187 40.2786 174.0394 120 C 5.6190 9.4861 124.9231 58.1688 31.2488 173.5510 121 V 5.2275 8.8156 115.0535 60.0373 36.1866 174.8600 122 V 4.5291 8.3580 120.8947 59.8918 35.1440 172.9632 123 D 4.7767 8.6144 123.0839 53.4403 39.0691 176.5940 124 A 4.0596 8.9622 126.5711 54.5841 18.7771 179.1765 125 T 3.8365 8.1944 113.9379 67.2428 68.5844 176.2697 126 D 4.3398 8.1250 120.3560 57.2140 40.7389 178.6446 127 I 3.6781 7.7546 120.2068 64.6237 37.1244 178.3000 128 A 3.9941 8.2021 121.3177 55.1301 18.2648 179.6694 129 L 4.1063 8.1949 117.6765 57.9713 41.3940 179.8855 130 Q 3.9860 7.9703 117.3657 58.5913 28.7762 177.8450 131 E 4.2942 8.2220 118.3329 58.2530 30.6979 177.9912 132 I 4.2011 7.7898 110.5462 59.5627 38.0604 175.8700 133 K 4.7134 8.0528 117.6793 56.8170 29.3732 175.3319 134 R 4.6913 7.3891 113.3545 54.9529 34.1165 175.1809 135 G 3.9443 8.5735 109.4313 45.5491 0.0000 173.3896 136 I 3.9099 7.6671 120.8893 59.8398 37.8070 173.5955 137 P 4.7263 0.0000 0.0000 62.7589 31.7799 176.5719 138 N 4.5947 8.1040 117.7147 56.5784 37.8943 176.6620 139 T 4.1268 8.0601 115.3928 66.0457 68.9413 176.6299 140 P 4.8118 0.0000 0.0000 62.1931 30.8182 178.5969 *142 L 4.4643 8.2527 119.2256 55.0173 43.8170 179.7780 143 G 3.7229 8.4117 104.8612 47.8114 0.0000 175.2147 144 A 4.0716 8.4349 124.1265 54.9238 18.3178 179.4120 145 L 3.8225 7.8454 117.9802 58.3563 42.1327 179.1979 146 V 3.6223 8.0321 118.1533 65.8881 31.2548 177.8131 147 R 3.5083 8.0112 117.4439 59.5836 30.0181 178.6365 148 V 3.8316 7.8550 109.9125 62.9419 31.7710 177.4496 149 T 4.4951 7.7739 107.9145 60.1742 70.1634 174.8689 150 G 3.9592 8.1846 108.6066 46.2709 0.0000 174.6267 151 I 3.5770 7.4950 121.6686 63.2013 38.0882 176.1732 152 V 4.5595 7.2123 110.9457 58.7937 35.6618 172.3720 153 P 4.4850 0.0000 0.0000 62.3966 32.1765 177.3417 154 L 3.9443 8.4441 121.4342 58.3650 41.9843 178.9950 155 E 3.9179 8.2345 117.9424 59.5043 29.4428 179.0430 156 A 4.1257 7.8508 120.5626 55.1963 18.4058 179.7056 157 I 3.8594 7.6785 117.8033 64.1403 37.3024 178.2343 158 E 3.9735 8.3131 119.6019 59.3331 29.3245 179.3183 159 K 4.1008 8.5172 118.8489 59.7859 31.9145 179.5405 160 R 3.9684 7.6673 116.4521 59.2570 30.0297 178.8079 161 I 3.9724 8.0114 119.0847 64.3998 37.1860 177.8065 162 E 4.2476 8.3255 118.6261 59.3028 29.7950 181.0475 163 K 4.2923 7.8479 118.0748 55.3639 32.0001 176.6490 *165 F 4.5448 7.5181 116.3293 57.4385 40.3257 174.6610 *169 F 4.5103 8.1580 119.4257 56.7303 39.8773 173.7074 170 P 4.6037 0.0000 0.0000 62.2272 32.3545 177.1475 171 Q 3.9093 8.7001 120.1810 59.0931 28.8858 177.8530 172 E 3.9255 8.2744 120.1558 59.7328 29.5710 179.2034 173 V 3.4609 7.5052 117.8741 65.6868 31.4979 178.0067 174 I 3.0542 7.2654 119.1029 64.4011 36.9539 177.9807 175 D 4.2919 8.7595 120.0586 57.1566 40.5971 178.7042 176 A 3.9305 7.8998 121.3476 55.3213 18.3814 179.5141 177 N 4.3069 7.8799 114.7646 56.2007 38.4409 177.9041 178 K 4.0440 7.9059 120.1690 59.2908 32.0853 179.6189 179 R 3.8833 8.3715 118.6762 59.1073 30.0726 178.8854 180 A 4.0156 8.0039 120.6293 54.9308 18.3739 179.4910 181 L 4.0848 7.9731 118.7633 58.4324 42.2542 179.2559 182 R 3.9438 8.1934 118.2367 59.6198 30.0860 179.3897 183 R 4.2343 8.5618 118.1659 59.0953 29.5025 179.4342 184 G 3.6623 8.1819 105.5621 47.6138 0.0000 175.1737 185 Y 4.1692 7.8885 121.0137 60.7770 38.9653 177.8466 186 E 4.1896 8.6921 118.3928 59.1865 29.7488 178.5238 187 E 4.3531 8.0668 115.9160 55.8654 30.4189 177.0932 188 V 3.9755 6.9476 119.0219 61.8942 32.1955 175.8947 189 K 4.8279 9.0800 122.3358 54.8869 35.5495 174.8433 190 C 5.2736 8.5835 120.2520 57.8583 30.6967 173.9742 191 S 3.0537 8.0610 117.4746 60.4640 62.5353 174.1766 192 E 4.1506 7.5792 122.0166 56.4653 30.3176 175.1333 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 8.41 4.33 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 K 7.89 4.10 0.00 1.52 1.84 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.44 1.11 7.81 7 Y 7.94 5.25 0.00 2.84 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 8 F 9.75 4.75 0.00 3.36 2.98 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 9 E 9.04 5.19 0.00 1.95 1.58 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 2.17 2.38 0.00 10 I 8.84 4.81 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.44 0.00 0.00 11 R 8.72 4.77 0.00 1.85 1.64 0.00 3.15 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.05 0.00 12 W 8.78 5.08 0.00 2.99 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 13 H 9.49 5.01 0.00 2.93 3.14 0.00 5.64 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 14 G 8.54 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 9.40 5.03 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 16 A 8.96 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.23 4.01 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 0.00 0.00 0.00 18 Q 8.27 4.16 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 19 G 8.23 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 0.00 0.00 0.00 20 A 7.95 3.57 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 21 K 7.70 3.60 0.00 1.74 1.78 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 22 S 7.80 4.02 0.00 3.97 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 23 A 7.48 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.02 4.08 0.00 2.90 3.66 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 25 Q 7.89 3.89 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.17 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 *27 L 7.85 4.29 0.00 1.92 2.01 1.03 1.25 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 28 A 8.13 4.08 1.46 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 0.00 0.00 0.00 29 E 8.94 3.89 0.00 2.07 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 2.34 2.35 0.00 30 A 7.92 3.99 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 31 A 8.24 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.89 0.00 1.93 1.90 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.93 4.01 0.00 2.03 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 2.44 0.00 34 A 7.46 4.32 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 35 G 8.06 3.80 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 0.00 0.00 0.00 36 K 7.74 4.60 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.60 7.81 37 Y 8.68 4.38 0.00 3.12 3.26 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 38 V 8.52 5.25 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 0.81 0.00 0.00 1.01 0.00 0.00 39 Q 9.16 4.76 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 40 A 8.89 5.44 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 41 F 7.91 5.05 0.00 3.15 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 42 P 0.00 5.19 0.00 1.75 1.89 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 43 E 8.64 4.63 0.00 2.11 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 2.41 2.66 0.00 44 Y 8.59 4.61 0.00 2.96 2.90 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 45 G 8.11 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 0.00 0.00 0.00 0.00 46 A 7.72 4.59 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 *48 R 7.99 4.12 0.00 1.78 1.89 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 49 T 8.21 4.18 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 50 G 8.66 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 51 A 7.59 4.21 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 52 P 0.00 4.64 0.00 1.98 2.03 0.00 3.75 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 2.05 2.15 0.00 *54 R 8.62 4.53 0.00 1.28 1.39 0.00 3.24 0.00 0.00 3.34 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 55 A 7.55 4.85 0.75 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 0.00 0.00 56 F 8.28 5.22 0.00 1.99 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 57 N 9.42 5.61 0.00 2.86 2.81 0.00 0.00 6.76 7.30 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 58 R 9.14 5.16 0.00 1.54 1.57 0.00 3.02 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 59 I 9.15 5.14 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 1.04 0.00 0.00 60 G 9.71 3.75 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 0.00 0.00 0.00 61 D 7.79 5.02 0.00 2.76 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 62 E 7.98 3.45 0.00 2.26 2.16 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 135 G 8.57 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 0.00 136 I 7.67 3.91 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 1.70 0.99 0.93 0.00 0.00 137 P 0.00 4.73 0.00 2.27 2.16 0.00 4.03 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 138 N 8.10 4.59 0.00 2.82 3.16 0.00 0.00 6.18 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 0.00 139 T 8.06 4.13 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 1.31 0.00 0.00 140 P 0.00 4.81 0.00 2.22 2.10 0.00 3.78 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 2.30 2.25 0.00 *142 L 8.25 4.46 0.00 2.03 1.87 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.41 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.07 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 0.00 145 L 7.85 3.82 0.00 1.72 1.97 0.77 0.82 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 0.00 146 V 8.03 3.62 2.40 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 1.28 0.00 0.00 1.07 0.00 0.00 147 R 8.01 3.51 0.00 0.98 1.94 0.00 2.52 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 148 V 7.86 3.83 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 0.77 0.00 0.00 0.99 0.00 0.00 149 T 7.77 4.50 4.05 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 1.35 0.00 0.00 150 G 8.18 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 0.00 151 I 7.50 3.58 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.94 0.00 0.00 152 V 7.21 4.56 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 0.80 0.00 0.00 0.98 0.00 0.00 153 P 0.00 4.48 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 154 L 8.44 3.94 0.00 1.53 1.47 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.23 3.92 0.00 2.12 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 2.40 1.96 0.00 156 A 7.85 4.13 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 0.00 157 I 7.68 3.86 2.01 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 1.69 0.54 0.95 0.00 0.00 158 E 8.31 3.97 0.00 2.17 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 2.31 2.49 0.00 159 K 8.52 4.10 0.00 2.00 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.37 7.81 160 R 7.67 3.97 0.00 2.05 2.01 0.00 3.43 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 1.82 1.83 0.00 161 I 8.01 3.97 2.07 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 1.62 0.70 1.03 0.00 0.00 162 E 8.33 4.25 0.00 2.20 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 2.37 2.51 0.00 163 K 7.85 4.29 0.00 2.01 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.35 7.81 *165 F 7.52 4.54 0.00 3.02 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 *169 F 8.16 4.51 0.00 3.28 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 0.00 170 P 0.00 4.60 0.00 2.25 2.21 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 171 Q 8.70 3.91 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.81 0.00 172 E 8.27 3.93 0.00 2.06 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 2.38 0.00 173 V 7.51 3.46 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 0.51 0.00 0.00 0.97 0.00 0.00 174 I 7.27 3.05 1.93 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 1.43 0.44 0.91 0.00 0.00 175 D 8.76 4.29 0.00 2.71 2.67 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 0.00 176 A 7.90 3.93 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 0.00 177 N 7.88 4.31 0.00 2.68 2.86 0.00 0.00 7.06 7.09 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 0.00 178 K 7.91 4.04 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.60 7.81 179 R 8.37 3.88 0.00 1.99 1.97 0.00 3.19 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 1.63 1.79 0.00 180 A 8.00 4.02 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 0.00 181 L 7.97 4.08 0.00 1.82 1.85 1.06 1.01 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 0.00 182 R 8.19 3.94 0.00 2.02 1.97 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 183 R 8.56 4.23 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 184 G 8.18 3.66 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 0.00 0.00 0.00 185 Y 7.89 4.17 0.00 3.00 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 0.00 186 E 8.69 4.19 0.00 2.02 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 2.48 2.65 0.00 187 E 8.07 4.35 0.00 2.21 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 2.31 2.32 0.00 188 V 6.95 3.98 2.16 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 0.67 0.00 0.00 0.94 0.00 0.00 189 K 9.08 4.83 0.00 1.78 1.88 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.55 7.81 190 C 8.58 5.27 0.00 2.78 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 0.00 191 S 8.06 3.05 0.00 3.50 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 0.00 192 E 7.58 4.15 0.00 1.85 1.68 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 2.08 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.