NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6482 8.2833 118.3431 52.8090 37.9092 171.9280 3 T 4.7703 7.2532 118.7514 62.5511 72.8519 172.0273 4 Y 4.8427 9.8556 124.9879 56.4170 41.5884 174.6204 5 S 5.3399 8.6320 116.7938 57.1558 66.6150 173.5851 6 I 4.7034 9.4160 123.5367 60.2521 41.8740 173.9190 7 T 5.1548 8.5175 121.4988 61.9078 71.0038 173.5507 8 L 4.9474 8.9233 124.5046 52.1232 46.2057 174.5248 9 P 4.8705 0.0000 0.0000 61.9247 32.4158 176.1328 10 W 4.3949 9.0215 132.2419 57.3465 30.9215 174.0703 11 P 3.5013 0.0000 0.0000 60.9436 31.7366 174.1504 12 P 4.2575 0.0000 0.0000 62.8370 31.8844 176.4528 13 S 4.1320 8.6570 114.5402 58.9077 64.5215 174.3873 14 N 4.4807 9.0866 127.7790 57.3765 38.5640 177.4073 15 N 4.4244 8.0770 121.4190 57.5411 37.4998 178.4320 16 R 4.5408 7.9729 117.2425 58.8290 30.7207 178.0869 17 Y 3.6052 8.8073 119.6434 59.1623 38.5849 174.6541 18 Y 5.3057 7.3618 114.9649 56.1774 41.9559 174.8987 19 R 4.7546 9.3485 121.2354 55.6418 34.2456 175.8081 *20 H 5.1373 9.0283 122.8428 54.2278 28.5898 174.0492 21 N 4.7531 8.2642 121.6016 51.6345 40.0030 175.4796 22 R 3.3990 8.7772 119.0998 56.9437 27.8025 175.7019 23 G 4.1417 7.0627 114.8981 46.7226 0.0000 176.7848 24 R 4.0868 7.8236 118.4639 55.5537 31.5082 175.3943 25 T 4.9560 8.1021 114.3914 61.1133 70.7357 173.5977 26 H 4.9923 8.7204 126.5398 54.8119 32.2584 174.4927 27 V 4.1270 8.1753 115.1623 60.8219 32.4796 176.6297 28 S 4.2863 8.6934 118.7972 57.2744 64.2931 175.1767 29 A 3.8725 8.5973 122.4144 55.7718 17.9191 179.8325 30 E 3.9296 8.1538 116.2892 59.2159 29.4925 179.7681 31 G 2.3879 7.3300 105.2471 47.5190 0.0000 175.3377 32 Q 3.8546 7.8604 121.0069 58.8167 28.8019 179.2141 33 A 3.8785 8.1171 121.4228 55.4815 18.5121 178.8637 34 Y 3.9667 8.1582 117.3355 61.0009 38.9336 178.3835 35 R 3.8810 8.0848 118.9806 59.7083 30.2553 178.5062 36 D 4.2875 8.5635 118.4946 57.5007 40.6929 178.4775 37 N 4.1735 8.1702 116.8760 56.1339 38.5773 177.1772 38 V 3.3948 7.4531 118.9722 66.2116 31.4758 177.6518 39 A 3.8494 8.4335 120.3244 55.6050 18.2942 179.6649 40 R 3.8227 8.3737 116.1996 59.9745 30.0704 178.9467 41 I 3.6648 8.5578 120.2577 63.6436 36.9193 178.3381 42 I 3.4701 8.3205 120.6602 64.7670 36.9697 178.6156 43 K 3.7636 7.9576 119.0306 58.6456 32.0613 179.1723 44 N 4.4748 7.9562 116.6038 56.1912 38.3189 177.3652 45 A 4.1212 7.8680 116.6318 52.1133 17.9873 176.7270 46 M 3.3310 8.2778 117.4097 57.0837 30.6143 178.4427 47 L 4.0475 8.6043 118.7418 55.4426 42.2574 177.6438 48 D 4.7295 7.4676 121.2570 52.9815 37.7476 177.2438 49 I 4.0907 7.6921 110.1763 60.7805 39.4364 175.8442 50 G 3.9792 8.1627 109.8061 45.9908 0.0000 173.8258 51 L 3.9651 8.2656 118.3343 55.5954 42.8228 178.8355 52 A 4.4344 8.4129 123.5125 53.1157 21.2373 176.5523 53 M 4.3320 7.7796 111.5490 54.0169 32.1969 174.0841 54 P 4.4730 0.0000 0.0000 63.0164 32.2092 176.3139 55 V 4.7926 8.2111 115.4700 59.3674 35.6454 174.6378 56 K 5.7382 8.6319 120.8146 54.9157 35.8478 175.1153 57 I 5.0708 8.2277 120.3291 59.8455 42.3229 174.1681 58 R 5.0233 9.2474 125.3492 54.8742 32.8949 174.4880 59 I 4.5110 9.0686 129.5319 60.2146 38.6742 175.0172 60 E 4.7794 9.2670 128.8599 55.6713 30.9651 175.8041 61 C 4.9461 9.3095 124.6319 58.7768 28.6874 172.0151 62 H 4.9897 9.3642 121.0526 54.9016 28.3925 174.1891 63 M 3.9595 8.5485 123.7370 54.8917 32.5899 175.8810 64 P 4.3841 0.0000 0.0000 63.6099 32.1268 175.2152 65 D 4.1686 6.9263 118.2816 54.5783 41.6253 176.4949 66 R 4.2877 8.6289 118.6272 56.9741 29.8177 173.3470 67 R 3.9332 8.3822 119.6184 57.6264 29.6957 182.3878 68 R 4.0482 8.6033 120.6895 56.2198 28.7529 173.9369 69 R 4.7932 8.2866 122.1159 53.5442 33.2837 175.3653 70 N 4.9029 8.3170 116.4486 51.7917 40.2495 176.1990 71 L 4.0998 8.7250 124.0403 58.0038 41.9252 179.3493 72 D 4.3523 8.0763 118.1130 56.2131 39.1979 178.1618 73 N 4.2816 7.7451 117.1030 56.1783 38.4204 177.1987 74 L 3.6692 7.8675 120.5413 57.4781 41.5209 179.4242 75 Q 3.6928 7.7775 119.0003 59.0614 29.2275 177.7483 76 K 3.6267 8.1569 120.7629 59.4418 32.0098 178.2549 77 A 3.7729 7.8127 120.2673 54.2345 18.8804 179.2836 78 A 4.0705 8.0655 119.4456 55.4204 18.4581 179.6685 79 F 4.3840 8.7431 116.6214 60.9824 39.1046 177.1074 80 D 4.4641 8.1330 116.7341 57.7670 40.9903 178.5055 81 A 4.1135 8.3658 120.9715 54.9573 18.2024 179.7364 82 L 3.6939 7.7473 117.1146 58.1107 41.7078 179.2658 83 T 3.6839 7.4219 115.7935 66.9536 68.2462 176.3682 84 K 3.9048 7.8609 118.2051 59.4754 32.2392 178.7841 85 A 4.1579 7.7674 118.5866 52.5869 18.5289 178.3751 86 G 3.7877 8.0000 106.0780 45.4712 0.0000 175.2981 87 F 4.4245 7.8697 122.0296 59.4327 39.3926 175.3684 88 W 5.1480 6.5895 114.8187 54.3507 30.7721 175.5467 89 L 4.2915 8.6782 118.4267 56.9830 41.6857 177.7792 90 D 4.6987 8.4932 118.5757 53.0677 44.4096 175.0729 91 D 3.7772 9.0511 123.7668 53.8762 39.0649 177.1550 92 A 4.2271 8.8413 122.0043 53.4647 18.9216 179.2529 93 Q 3.8895 8.0032 116.3891 57.7443 29.0046 176.1871 94 V 3.6150 6.4401 116.4839 62.8957 29.4386 175.6030 95 V 4.0157 8.1267 117.5305 61.0595 32.4914 175.5001 96 D 4.5719 7.4223 116.1831 53.8262 44.0136 174.1859 97 Y 5.5817 8.8476 123.4725 55.5615 41.9749 174.5895 98 R 4.4046 9.0360 119.5979 54.9444 33.8275 173.6243 99 V 4.9608 8.3498 125.8112 61.3397 34.0483 175.0019 100 V 4.4085 8.6025 126.3464 61.1023 34.9161 173.7901 101 K 4.5515 8.8696 130.0089 56.6197 32.6135 175.7337 102 M 4.8174 8.8360 126.7374 52.3804 35.6575 173.4246 103 P 4.3118 0.0000 0.0000 63.0646 32.1823 176.5299 104 V 3.7505 8.4835 123.0662 64.1788 31.9346 174.9816 105 T 4.6388 9.1561 122.0390 59.4974 70.9946 172.6615 106 K 3.7996 8.7654 128.5447 58.7570 32.1761 176.3223 107 G 3.8933 8.6102 115.5714 44.3000 0.0000 172.8543 108 G 3.7986 8.1596 108.3446 45.8183 0.0000 172.9344 109 R 4.9955 8.9350 121.2073 54.2475 34.3128 174.3472 110 L 5.2399 9.1664 122.1028 53.1413 44.6296 175.2557 111 E 4.8092 9.6319 125.0814 54.5521 31.4752 173.7025 112 L 5.2840 9.6229 128.2533 53.3558 44.3044 175.9125 113 T 5.1869 8.9415 119.4734 62.0967 72.3898 173.3785 114 I 5.2313 9.0277 126.8629 60.3502 41.3637 175.0017 115 T 4.9512 8.2852 118.9758 62.9465 73.1021 175.0139 116 E 4.5965 8.6605 127.3415 58.6103 30.5568 177.2913 117 M 4.5768 9.2164 129.8453 57.1521 34.8428 175.4942 118 G 4.1690 7.7380 114.1939 45.5756 0.0000 175.5143 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 N 8.28 4.65 0.00 2.96 3.07 0.00 0.00 5.88 6.34 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 3 T 7.25 4.77 4.18 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 1.25 0.00 0.00 4 Y 9.86 4.84 0.00 3.20 2.89 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 5 S 8.63 5.34 0.00 3.74 3.76 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 6 I 9.42 4.70 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.79 0.88 0.00 0.00 7 T 8.52 5.15 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 1.35 0.00 0.00 8 L 8.92 4.95 0.00 1.62 1.54 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.87 0.00 2.20 2.12 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 10 W 9.02 4.39 0.00 3.55 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 11 P 0.00 3.50 0.00 1.53 1.10 0.00 2.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.37 0.00 12 P 0.00 4.26 0.00 2.25 2.10 0.00 3.27 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 13 S 8.66 4.13 0.00 3.93 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 14 N 9.09 4.48 0.00 2.77 2.76 0.00 0.00 7.17 6.71 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 15 N 8.08 4.42 0.00 2.86 2.78 0.00 0.00 6.62 7.66 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 16 R 7.97 4.54 0.00 2.04 2.15 0.00 3.15 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 17 Y 8.81 3.61 0.00 3.25 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 18 Y 7.36 5.31 0.00 2.71 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 19 R 9.35 4.75 0.00 1.74 1.82 0.00 3.09 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *20 H 9.03 5.14 0.00 2.66 2.86 0.00 7.17 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.26 4.75 0.00 2.76 2.69 0.00 0.00 6.84 7.54 0.00 0.00 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 R 8.78 3.40 0.00 2.00 2.40 0.00 2.98 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 23 G 7.06 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 24 R 7.82 4.09 0.00 1.87 1.88 0.00 3.14 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 25 T 8.10 4.96 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 1.30 0.00 0.00 26 H 8.72 4.99 0.00 3.24 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.18 4.13 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 0.61 0.00 0.00 0.71 0.00 0.00 28 S 8.69 4.29 0.00 3.88 4.09 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 0.00 0.00 0.00 0.00 29 A 8.60 3.87 1.30 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 0.00 0.00 30 E 8.15 3.93 0.00 1.92 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 2.39 2.35 0.00 31 G 7.33 2.39 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 0.00 32 Q 7.86 3.85 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 33 A 8.12 3.88 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 34 Y 8.16 3.97 0.00 3.15 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 35 R 8.08 3.88 0.00 2.08 1.98 0.00 3.36 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 1.77 1.89 0.00 36 D 8.56 4.29 0.00 2.79 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 37 N 8.17 4.17 0.00 2.64 2.72 0.00 0.00 6.61 6.96 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 38 V 7.45 3.39 2.04 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 0.76 0.00 0.00 0.40 0.00 0.00 39 A 8.43 3.85 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 40 R 8.37 3.82 0.00 1.97 1.95 0.00 3.26 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 41 I 8.56 3.66 1.90 0.00 0.00 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 1.46 0.75 0.83 0.00 0.00 42 I 8.32 3.47 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.92 0.75 0.00 0.00 43 K 7.96 3.76 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.29 7.81 44 N 7.96 4.47 0.00 3.00 2.82 0.00 0.00 6.77 7.08 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 45 A 7.87 4.12 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 46 M 8.28 3.33 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 47 L 8.60 4.05 0.00 1.54 1.28 0.15 0.74 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 48 D 7.47 4.73 0.00 2.85 2.81 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 0.00 0.00 0.00 0.00 49 I 7.69 4.09 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.92 0.00 0.00 50 G 8.16 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 51 L 8.27 3.97 0.00 1.62 1.57 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.41 4.43 1.24 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 0.00 0.00 53 M 7.78 4.33 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 54 P 0.00 4.47 0.00 1.90 1.95 0.00 3.58 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 1.99 2.06 0.00 55 V 8.21 4.79 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 0.68 0.00 0.00 0.40 0.00 0.00 56 K 8.63 5.74 0.00 1.96 1.90 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.28 7.81 57 I 8.23 5.07 2.18 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 1.24 0.00 0.00 58 R 9.25 5.02 0.00 1.92 1.87 0.00 3.14 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 59 I 9.07 4.51 1.98 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 1.00 0.00 0.00 60 E 9.27 4.78 0.00 2.15 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 2.34 2.37 0.00 61 C 9.31 4.95 0.00 2.97 3.18 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 62 H 9.36 4.99 0.00 3.47 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.55 3.96 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 64 P 0.00 4.38 0.00 1.72 1.48 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 65 D 6.93 4.17 0.00 2.70 2.59 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 66 R 8.63 4.29 0.00 1.85 1.86 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 67 R 8.38 3.93 0.00 1.80 1.76 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 68 R 8.60 4.05 0.00 1.82 1.81 0.00 3.18 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 69 R 8.29 4.79 0.00 1.89 2.01 0.00 3.64 0.00 0.00 3.62 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 70 N 8.32 4.90 0.00 2.91 2.91 0.00 0.00 6.81 6.74 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 71 L 8.72 4.10 0.00 1.69 1.72 0.94 1.09 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 72 D 8.08 4.35 0.00 2.90 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 73 N 7.75 4.28 0.00 2.93 2.79 0.00 0.00 6.84 6.62 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 74 L 7.87 3.67 0.00 1.66 1.39 0.98 -0.23 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 75 Q 7.78 3.69 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 76 K 8.16 3.63 0.00 1.82 1.79 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.40 7.81 77 A 7.81 3.77 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 78 A 8.07 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.74 4.38 0.00 3.15 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.46 0.00 2.99 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 81 A 8.37 4.11 1.53 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 82 L 7.75 3.69 0.00 1.06 0.96 0.86 0.41 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 83 T 7.42 3.68 4.44 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 1.28 0.00 0.00 84 K 7.86 3.90 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.65 7.81 85 A 7.77 4.16 1.28 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 0.00 0.00 0.00 86 G 8.00 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 87 F 7.87 4.42 0.00 2.68 2.50 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 88 W 6.59 5.15 0.00 3.21 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 89 L 8.68 4.29 0.00 1.89 1.79 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.49 4.70 0.00 2.75 2.45 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 0.00 91 D 9.05 3.78 0.00 2.72 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 92 A 8.84 4.23 1.30 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 0.00 0.00 93 Q 8.00 3.89 0.00 1.56 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 94 V 6.44 3.62 1.80 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 0.68 0.00 0.00 -0.34 0.00 0.00 95 V 8.13 4.02 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 0.68 0.00 0.00 0.97 0.00 0.00 96 D 7.42 4.57 0.00 2.69 2.50 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 97 Y 8.85 5.58 0.00 3.19 2.99 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 98 R 9.04 4.40 0.00 1.80 1.76 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 99 V 8.35 4.96 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 0.86 0.00 0.00 1.03 0.00 0.00 100 V 8.60 4.41 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 0.77 0.00 0.00 0.95 0.00 0.00 101 K 8.87 4.55 0.00 1.84 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 102 M 8.84 4.82 0.00 1.71 1.55 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 2.35 2.56 0.00 103 P 0.00 4.31 0.00 1.96 2.02 0.00 3.69 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 2.06 2.12 0.00 104 V 8.48 3.75 2.04 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 0.67 0.00 0.00 0.88 0.00 0.00 105 T 9.16 4.64 4.27 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 1.22 0.00 0.00 106 K 8.77 3.80 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.51 7.81 107 G 8.61 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 0.00 108 G 8.16 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 0.00 109 R 8.93 5.00 0.00 1.82 1.88 0.00 3.10 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 110 L 9.17 5.24 0.00 1.80 1.64 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.63 4.81 0.00 2.20 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 2.43 2.38 0.00 112 L 9.62 5.28 0.00 1.80 1.72 1.07 0.77 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 0.00 113 T 8.94 5.19 4.35 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 1.31 0.00 0.00 114 I 9.03 5.23 2.36 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.10 0.00 0.00 115 T 8.29 4.95 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 1.25 0.00 0.00 116 E 8.66 4.60 0.00 1.92 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 2.42 2.50 0.00 117 M 9.22 4.58 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 118 G 7.74 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.