NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5716 8.2931 120.3310 55.4131 34.2754 175.7493 2 G 3.9208 8.2535 109.5774 46.5293 0.0000 172.5700 3 K 4.4172 10.7800 128.6661 56.8333 33.3718 177.0646 4 F 4.0992 8.1819 115.2256 60.6195 39.2489 176.9636 5 T 4.0906 8.1561 109.5715 64.9689 68.8924 175.6697 6 Q 3.9294 8.3313 119.9397 58.4902 29.2094 177.3591 7 R 3.5224 7.7954 115.7545 57.7735 29.4263 176.2804 8 L 4.5993 7.2327 115.6336 53.9745 42.0571 173.7850 9 S 4.1314 8.5292 120.2563 58.1901 62.3989 169.9450 10 L 4.5475 7.0665 117.3171 54.3560 45.5600 173.7065 11 R 4.5396 8.1813 122.3605 57.5765 37.1078 175.5300 12 V 4.0063 7.5089 115.1060 62.4133 33.2024 174.1966 13 R 4.5893 8.0012 117.5827 56.3465 33.2553 174.4061 14 L 4.3560 8.9565 126.6463 56.0723 40.2808 177.2707 15 T 3.9576 7.7677 108.1532 64.9590 68.8934 176.3510 16 L 4.0400 7.9622 121.7905 57.3079 41.6414 179.4305 17 I 3.6747 7.7427 119.1571 64.3373 37.0851 177.9807 18 F 4.0862 8.0853 120.8891 61.1769 39.1562 176.6414 19 L 3.9071 8.4877 120.3235 58.3949 41.8662 178.8565 20 I 3.6011 8.2942 118.6878 63.7671 37.8612 177.3852 21 L 3.7862 8.4211 121.3568 58.2387 41.8273 178.9527 22 A 4.3490 7.8697 122.1880 54.6623 18.2698 179.4909 23 S 4.0861 8.2545 112.0336 61.4615 62.3917 176.6474 24 V 3.5155 8.4328 121.5333 65.9949 31.3004 178.0151 25 T 3.7596 7.9329 109.6048 64.6163 68.4799 176.0365 26 W 3.9482 8.5469 132.0810 59.8796 30.7365 177.6636 27 L 4.1652 8.5732 119.2111 57.9292 41.1359 179.2101 28 L 4.0523 8.6258 120.3644 58.3705 41.8953 179.1687 29 S 4.1227 8.3006 114.9640 61.7619 62.7761 176.5456 30 S 3.9581 8.6044 116.1454 61.3228 61.8540 175.9580 31 F 4.2206 8.9207 122.4360 61.4776 39.2954 176.7558 32 V 3.8837 8.4761 116.5467 66.1937 31.3518 177.5105 33 A 4.2486 8.1843 119.5389 54.2036 19.4846 179.3718 34 W 4.5820 8.1077 118.3866 56.2473 26.0701 175.0742 35 K 4.3658 7.7356 120.4165 55.5410 33.0406 176.4088 36 Q 4.6252 8.1865 123.6018 54.8756 31.0749 174.8680 37 T 4.0988 8.4396 114.1587 62.5929 69.9727 171.2696 38 T 3.4740 9.0075 128.9336 64.1458 68.3325 173.2771 39 D 4.4052 8.8165 123.3423 54.3863 39.4126 173.4915 40 N 4.5456 8.2308 118.2444 53.3624 39.5935 174.4796 *150 W 4.8340 8.4652 121.6156 55.8748 30.0074 176.0153 151 E 3.1761 6.3812 118.8570 54.8999 28.3430 172.3341 152 Y 4.8650 7.9900 127.3527 58.3123 42.6514 174.0099 153 R 4.3289 7.7496 118.9538 54.2710 31.6465 173.8373 154 E 4.1008 8.2902 121.6686 55.0881 30.4597 176.3188 155 D 4.3875 8.5182 122.3988 55.5015 40.7428 175.9649 156 M 4.7310 8.0643 122.0357 53.7500 35.6584 173.8901 157 A 4.0832 7.9651 124.6466 52.8278 19.5991 177.6324 158 L 4.7957 7.7138 116.9560 52.8790 43.1414 175.4322 159 A 4.5078 7.6567 124.1650 53.3430 22.0466 178.3522 160 I 3.6848 7.9337 114.9938 64.2589 37.8982 177.9324 161 V 3.4685 7.7410 118.1766 65.9174 31.4354 177.6327 162 A 4.0271 7.9960 120.0386 55.1325 18.0875 179.4989 163 G 3.5131 8.3258 103.1994 48.1972 0.0000 175.5948 164 Q 4.1330 8.3182 120.8860 58.3999 28.6899 178.7390 165 L 4.0151 8.4318 120.3508 58.0457 41.5572 179.0402 166 I 3.6936 8.1773 119.9876 64.5751 37.0981 176.5165 167 P 4.3022 0.0000 0.0000 65.4066 31.2232 178.3094 168 W 3.8016 7.9503 128.3113 60.3131 30.5006 177.5633 169 L 4.0731 8.4892 119.2479 58.3559 41.5935 178.8304 170 V 3.7872 7.7514 117.7894 65.6014 31.4581 177.9422 171 A 3.9078 8.5484 120.9163 55.1335 18.2920 178.7804 172 L 3.8675 8.4548 119.2388 58.3729 41.9873 177.4765 173 P 4.2629 0.0000 0.0000 65.9326 31.1989 178.0235 174 I 3.6628 7.5368 119.4991 64.5364 37.0486 178.1172 175 M 4.0218 8.3421 119.4414 58.4016 31.8175 178.7177 176 L 3.9932 7.7970 118.8023 57.9954 41.8461 179.6961 177 I 3.6867 8.4517 119.9769 64.3701 36.8089 178.3082 178 I 3.6521 8.0748 119.7502 64.8344 36.9664 177.8582 179 M 4.1886 8.1879 118.6990 58.9078 32.0512 178.1275 180 M 4.1522 8.7307 119.4994 58.2294 32.0589 178.7485 181 V 3.7084 8.3810 119.7352 64.9898 30.9798 178.0517 182 L 4.0953 7.3720 118.7825 57.8605 42.1596 178.1115 183 L 4.1482 8.1639 117.9412 55.8433 41.7614 178.5641 184 G 4.7681 6.7306 116.6570 46.7402 0.0000 172.7769 185 R 4.4990 7.0054 112.7068 55.2637 31.6564 174.3939 186 E 4.2649 8.7428 118.2026 56.6533 29.8896 176.0296 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 M 8.29 4.57 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 2 G 8.25 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 0.00 0.00 0.00 3 K 10.78 4.42 0.00 1.85 1.95 0.00 0.86 0.00 0.00 1.10 0.00 0.00 2.63 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 1.40 7.81 4 F 8.18 4.10 0.00 3.09 3.10 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 5 T 8.16 4.09 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 1.26 0.00 0.00 6 Q 8.33 3.93 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 7 R 7.80 3.52 0.00 1.98 1.91 0.00 3.31 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 8 L 7.23 4.60 0.00 1.71 1.52 0.91 0.99 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 9 S 8.53 4.13 0.00 4.03 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 10 L 7.07 4.55 0.00 1.61 1.49 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.18 4.54 0.00 1.68 1.85 0.00 3.28 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 12 V 7.51 4.01 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 0.78 0.00 0.00 0.99 0.00 0.00 13 R 8.00 4.59 0.00 1.76 1.73 0.00 3.35 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 14 L 8.96 4.36 0.00 2.00 1.87 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.77 3.96 4.30 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 1.24 0.00 0.00 16 L 7.96 4.04 0.00 1.69 1.77 0.87 0.83 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 17 I 7.74 3.67 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.96 0.00 0.00 18 F 8.09 4.09 0.00 3.15 3.25 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 0.00 19 L 8.49 3.91 0.00 1.96 1.82 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.29 3.60 1.95 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 1.37 1.01 0.94 0.00 0.00 21 L 8.42 3.79 0.00 1.91 1.52 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.87 4.35 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.09 0.00 4.06 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 24 V 8.43 3.52 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 0.56 0.00 0.00 0.86 0.00 0.00 25 T 7.93 3.76 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 26 W 8.55 3.95 0.00 3.70 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 27 L 8.57 4.17 0.00 2.07 1.83 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.63 4.05 0.00 1.96 1.71 0.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.30 4.12 0.00 4.11 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 30 S 8.60 3.96 0.00 4.08 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 31 F 8.92 4.22 0.00 3.44 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 0.00 32 V 8.48 3.88 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 0.87 0.00 0.00 1.12 0.00 0.00 33 A 8.18 4.25 1.26 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 0.00 0.00 34 W 8.11 4.58 0.00 3.56 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 35 K 7.74 4.37 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.59 7.81 36 Q 8.19 4.63 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 37 T 8.44 4.10 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 38 T 9.01 3.47 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 39 D 8.82 4.41 0.00 2.83 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 40 N 8.23 4.55 0.00 2.62 2.68 0.00 0.00 6.81 7.95 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 *150 W 8.47 4.83 0.00 3.64 3.22 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 0.00 151 E 6.38 3.18 0.00 2.04 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 2.05 2.01 0.00 152 Y 7.99 4.87 0.00 3.19 3.22 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 0.00 153 R 7.75 4.33 0.00 1.77 1.73 0.00 3.09 0.00 0.00 3.04 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.46 0.00 154 E 8.29 4.10 0.00 1.90 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 0.00 2.26 2.30 0.00 155 D 8.52 4.39 0.00 2.62 2.66 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 0.00 156 M 8.06 4.73 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 157 A 7.97 4.08 1.21 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 0.00 0.00 0.00 158 L 7.71 4.80 0.00 1.55 1.54 0.90 0.89 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 0.00 159 A 7.66 4.51 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 0.00 160 I 7.93 3.68 1.86 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 1.47 1.55 0.87 0.00 0.00 161 V 7.74 3.47 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 0.99 0.00 0.00 0.87 0.00 0.00 162 A 8.00 4.03 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 0.00 163 G 8.33 3.51 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 0.00 164 Q 8.32 4.13 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 165 L 8.43 4.02 0.00 1.84 1.70 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.18 3.69 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 1.01 0.00 0.00 167 P 0.00 4.30 0.00 2.19 2.34 0.00 3.44 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.60 0.00 168 W 7.95 3.80 0.00 3.74 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 0.00 169 L 8.49 4.07 0.00 1.82 1.74 0.94 1.23 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 0.00 170 V 7.75 3.79 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 0.96 0.00 0.00 1.05 0.00 0.00 171 A 8.55 3.91 1.26 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 0.00 0.00 172 L 8.45 3.87 0.00 1.94 1.76 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.26 0.00 2.31 2.31 0.00 3.72 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 2.27 2.12 0.00 174 I 7.54 3.66 2.05 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 1.51 0.86 0.89 0.00 0.00 175 M 8.34 4.02 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 176 L 7.80 3.99 0.00 1.92 1.73 1.01 0.84 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 0.00 177 I 8.45 3.69 2.10 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 1.73 0.65 0.94 0.00 0.00 178 I 8.07 3.65 2.07 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 1.39 0.63 0.91 0.00 0.00 179 M 8.19 4.19 0.00 2.20 2.06 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 2.60 2.59 0.00 180 M 8.73 4.15 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 181 V 8.38 3.71 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 0.84 0.00 0.00 1.00 0.00 0.00 182 L 7.37 4.10 0.00 1.68 1.87 0.93 1.08 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 0.00 183 L 8.16 4.15 0.00 1.88 1.72 1.00 0.80 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 0.00 184 G 6.73 4.77 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 0.00 0.00 0.00 185 R 7.01 4.50 0.00 1.85 1.86 0.00 3.04 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 186 E 8.74 4.26 0.00 1.93 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 0.00 2.34 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.