NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6331 8.2785 119.2050 53.7693 41.0554 176.6964 0 A 4.0667 8.1122 119.1895 52.8945 17.9899 178.1119 2 S 3.3585 9.1647 112.7630 62.2999 64.7898 172.5875 3 Q 4.1411 8.2254 122.6836 58.9987 28.3935 178.4393 4 E 4.3576 8.4179 121.0875 58.7009 29.6747 178.7402 5 A 4.0918 7.8867 120.5270 54.8180 18.5139 179.2609 6 F 4.3846 8.4289 119.4379 61.5533 39.3503 177.2162 7 E 3.8444 8.5244 118.5073 59.3728 29.2381 178.9521 8 N 4.2971 8.1307 116.9716 56.4436 39.1809 176.8562 9 K 3.9362 8.1307 121.0546 59.5215 32.0749 178.6866 10 L 3.8182 7.7152 118.4443 57.9287 41.9018 178.6222 11 Y 4.0830 8.1798 119.2300 60.6030 38.8724 177.8172 12 A 4.0516 8.2911 121.7661 55.2489 18.4827 179.2301 13 N 4.4229 8.0989 114.0545 55.6137 38.6481 177.0043 14 L 4.1270 7.5287 119.6260 56.2272 41.4534 178.3914 15 E 4.2178 7.7941 117.8466 58.0321 29.4434 177.6482 16 A 4.5060 7.6200 119.7107 51.1147 19.3361 176.5623 17 V 4.1406 7.3205 119.7282 61.4735 33.0684 174.6337 18 I 4.6204 8.1401 128.9205 59.6808 39.1826 175.1948 19 D 4.3749 8.8757 126.9668 53.2613 41.1164 175.1114 20 P 4.2590 0.0000 0.0000 65.6434 31.6494 178.0877 21 E 4.0850 8.1251 116.6363 58.5443 29.4909 177.7030 22 L 4.4034 7.8678 116.7216 53.6572 42.9784 177.2083 23 G 4.0995 8.2508 106.3157 46.2172 0.0000 173.5932 24 V 4.4472 7.0218 115.3439 59.6834 34.7804 174.8604 25 D 4.9713 8.3633 125.7675 53.0737 41.6173 177.5797 26 I 3.6814 8.2444 114.9877 63.7897 37.4959 178.7446 27 V 3.3857 7.5901 119.8005 66.1357 31.2997 177.6992 28 N 4.4376 9.2439 115.7416 56.0710 38.4202 177.1330 29 L 4.3854 7.9419 119.6180 55.7608 41.6697 178.1038 30 G 4.2521 8.0004 105.8222 47.0105 0.0000 174.5669 31 L 3.9731 7.9168 120.9141 56.0876 41.8662 177.3193 32 V 3.9697 7.6503 118.3810 61.9010 31.4506 174.7779 33 Y 4.7502 8.5996 126.4329 60.3361 38.6214 175.7806 34 D 4.7246 7.6864 116.8633 53.1036 44.8599 174.3328 35 V 5.0019 8.5129 124.9760 61.3222 34.0827 174.5210 36 T 5.0726 8.9750 117.0877 59.9016 72.2553 172.6779 37 A 5.3149 9.1883 124.7794 50.5410 22.5211 175.9760 38 D 4.7708 8.7252 121.2304 52.0004 41.7862 176.8542 39 E 4.1325 8.6787 117.1802 58.6836 29.6224 177.4382 40 N 4.7290 8.5135 116.1476 52.6786 39.0210 175.2642 41 N 4.4213 8.3044 114.1871 54.0983 36.8373 173.1788 42 N 5.2192 7.9977 116.5336 53.0826 39.7910 174.0159 43 A 5.2720 9.5172 125.9745 50.0308 22.5935 175.1394 44 V 4.6865 8.8460 121.5338 61.2886 34.3678 174.3150 45 I 4.8464 8.9686 130.1234 60.2103 38.9235 174.9971 46 T 5.2936 8.7293 124.2540 60.6154 70.8144 173.8704 *48 T 3.9635 8.5760 117.1152 61.9672 67.6334 175.8542 *50 T 3.6447 8.5101 107.1850 60.8882 70.7167 174.1656 51 S 4.7589 7.6277 114.1162 56.9541 65.4354 175.3763 52 I 2.5929 8.5275 123.8240 64.3008 36.9509 177.8554 53 G 3.5328 8.1586 107.9689 48.4231 0.0000 172.8271 54 C 3.5508 7.7404 119.3752 58.5670 31.3140 172.7608 55 P 4.4536 0.0000 0.0000 62.4582 31.0009 177.0802 *57 A 4.3836 8.0491 122.9772 52.2691 21.1731 179.8859 58 G 3.5737 8.0250 102.0145 48.0543 0.0000 175.6207 59 Q 4.0086 7.9942 121.7326 58.6850 29.0169 178.2058 60 I 3.6418 7.6073 120.5248 64.2215 37.3091 178.2574 61 V 3.5281 7.6316 119.2116 66.1296 31.2986 178.2510 62 S 4.1500 7.9233 113.4166 61.5089 62.7010 176.1416 63 D 4.2866 8.1822 122.5587 56.9713 40.4782 178.6948 64 V 3.5166 8.0029 119.0652 66.0561 31.4977 178.3030 65 K 3.9411 7.9061 117.9189 59.2416 31.8379 179.2813 66 K 3.8940 8.2928 120.2156 59.4687 32.1546 179.0455 67 V 3.5398 8.1265 118.8403 66.0457 31.4247 178.0676 68 L 4.0064 8.0566 119.0717 57.7742 41.5462 179.6732 69 S 4.1724 8.2624 114.3445 61.5865 62.6902 176.8027 70 T 4.0112 7.9231 118.6511 66.4190 68.4642 176.2516 71 N 4.6806 8.5563 116.5562 53.7995 40.4146 175.7307 72 V 4.5091 7.9645 120.1747 59.9012 31.2619 173.9642 73 P 4.5641 0.0000 0.0000 64.5723 31.5865 178.0595 74 E 4.2213 8.1690 115.0103 56.8871 30.0472 177.2829 75 V 4.2322 8.1427 120.7231 62.0782 33.7321 173.8740 76 N 4.5404 9.3805 120.3852 53.9238 38.8422 177.1179 77 E 4.1318 6.3779 126.9484 56.9858 31.8599 175.4183 78 I 4.8052 8.3579 126.4048 59.8070 39.8713 174.4044 79 E 4.6669 9.2657 127.7728 54.3985 32.0904 175.4499 80 V 4.7114 8.3876 123.7229 61.3385 33.7493 174.2184 81 N 4.8094 9.1584 126.9822 51.6167 40.4729 174.2989 82 V 4.0049 8.2320 124.6995 61.6963 32.6457 175.4605 83 V 4.1815 7.6933 119.9319 59.3850 34.7542 175.8011 84 W 5.1536 8.4674 117.2865 56.3763 30.4608 175.3785 85 N 5.1165 8.0694 115.9341 50.6109 41.4862 172.6472 86 P 4.5799 0.0000 0.0000 61.6705 32.2766 174.1585 87 P 4.8266 0.0000 0.0000 61.8817 32.2040 176.1814 88 W 4.5066 8.8601 130.7312 58.0708 31.5153 174.8228 89 S 3.9207 6.7903 115.6758 56.2822 65.0109 175.3854 90 K 3.5143 7.5900 120.0256 59.3983 32.3082 178.2027 91 E 3.9666 7.3502 118.4853 59.0479 29.6116 178.1706 92 R 4.0803 7.4402 119.9860 54.8716 28.3601 175.4108 *94 S 4.2501 7.6684 116.3016 57.5254 64.7115 175.9393 95 R 3.9747 8.4048 116.0269 57.3875 29.7508 177.6952 *97 A 4.3306 8.1370 120.5795 51.7466 20.5409 180.0499 98 K 4.0532 8.2323 115.3315 59.5261 31.9495 179.8237 99 I 3.7121 7.9685 119.9256 64.3086 37.0121 178.3021 100 A 4.0169 7.9422 121.1214 55.2161 18.1187 179.2953 101 L 3.9695 8.2672 116.0872 56.8927 41.8660 179.3586 102 G 3.7429 7.8064 104.7831 46.6728 0.0000 174.8618 103 I 4.3056 7.0493 119.9219 62.2086 38.7959 175.8036 104 R 4.1934 8.6776 122.9610 56.3003 30.0647 176.0811 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 N 8.28 4.63 0.00 2.81 2.88 0.00 0.00 6.96 7.16 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 A 8.11 4.07 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 2 S 9.16 3.36 0.00 3.95 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 0.00 3 Q 8.23 4.14 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 4 E 8.42 4.36 0.00 2.20 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 2.31 2.18 0.00 5 A 7.89 4.09 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 6 F 8.43 4.38 0.00 3.09 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 7 E 8.52 3.84 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 2.34 2.55 0.00 8 N 8.13 4.30 0.00 2.95 2.98 0.00 0.00 6.84 6.55 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 9 K 8.13 3.94 0.00 1.92 1.94 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.51 7.81 10 L 7.72 3.82 0.00 1.58 1.55 0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.18 4.08 0.00 3.13 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 12 A 8.29 4.05 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 13 N 8.10 4.42 0.00 2.86 2.83 0.00 0.00 6.99 6.02 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 14 L 7.53 4.13 0.00 1.58 1.49 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.79 4.22 0.00 2.02 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 2.26 2.29 0.00 16 A 7.62 4.51 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 17 V 7.32 4.14 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 0.88 0.00 0.00 0.86 0.00 0.00 18 I 8.14 4.62 1.83 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 1.19 0.96 0.88 0.00 0.00 19 D 8.88 4.37 0.00 2.63 2.58 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 0.00 0.00 0.00 20 P 0.00 4.26 0.00 2.05 2.08 0.00 3.68 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 1.99 2.08 0.00 21 E 8.13 4.09 0.00 1.90 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 2.32 2.25 0.00 22 L 7.87 4.40 0.00 1.64 1.68 0.87 1.07 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 23 G 8.25 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 0.00 0.00 0.00 24 V 7.02 4.45 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 1.12 0.00 0.00 0.95 0.00 0.00 25 D 8.36 4.97 0.00 3.05 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 26 I 8.24 3.68 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.83 0.00 0.00 27 V 7.59 3.39 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 0.93 0.00 0.00 0.25 0.00 0.00 28 N 9.24 4.44 0.00 2.76 2.91 0.00 0.00 7.20 5.12 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 29 L 7.94 4.39 0.00 1.75 1.76 0.75 0.90 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 30 G 8.00 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 0.00 0.00 0.00 0.00 31 L 7.92 3.97 0.00 1.61 1.65 0.64 -0.10 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 32 V 7.65 3.97 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 0.92 0.00 0.00 0.80 0.00 0.00 33 Y 8.60 4.75 0.00 3.10 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 34 D 7.69 4.72 0.00 2.83 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 35 V 8.51 5.00 2.13 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 0.87 0.00 0.00 1.09 0.00 0.00 36 T 8.98 5.07 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 1.29 0.00 0.00 37 A 9.19 5.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.77 0.00 2.94 2.87 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 39 E 8.68 4.13 0.00 1.98 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 0.00 2.46 2.36 0.00 40 N 8.51 4.73 0.00 2.84 2.77 0.00 0.00 6.88 6.26 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 41 N 8.30 4.42 0.00 2.89 2.92 0.00 0.00 7.05 6.85 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 42 N 8.00 5.22 0.00 3.14 2.77 0.00 0.00 6.71 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 43 A 9.52 5.27 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 44 V 8.85 4.69 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 0.97 0.00 0.00 0.94 0.00 0.00 45 I 8.97 4.85 1.83 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 1.18 0.33 0.86 0.00 0.00 46 T 8.73 5.29 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 1.24 0.00 0.00 *48 T 8.58 3.96 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 1.04 0.00 0.00 *50 T 8.51 3.64 3.81 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 0.23 0.00 0.00 51 S 7.63 4.76 0.00 4.00 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 52 I 8.53 2.59 1.55 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.46 0.33 0.00 0.00 53 G 8.16 3.53 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 54 C 7.74 3.55 0.00 3.05 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 55 P 0.00 4.45 0.00 2.07 2.02 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 *57 A 8.05 4.38 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 58 G 8.03 3.57 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 0.00 0.00 0.00 59 Q 7.99 4.01 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 60 I 7.61 3.64 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.49 0.81 0.00 0.00 61 V 7.63 3.53 2.05 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 1.02 0.00 0.00 0.94 0.00 0.00 62 S 7.92 4.15 0.00 4.11 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 63 D 8.18 4.29 0.00 3.08 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 64 V 8.00 3.52 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 0.97 0.00 0.00 0.91 0.00 0.00 65 K 7.91 3.94 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 66 K 8.29 3.89 0.00 1.79 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 67 V 8.13 3.54 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 0.77 0.00 0.00 0.92 0.00 0.00 68 L 8.06 4.01 0.00 1.71 1.67 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.26 4.17 0.00 4.06 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 70 T 7.92 4.01 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 1.21 0.00 0.00 71 N 8.56 4.68 0.00 2.74 2.99 0.00 0.00 6.80 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 72 V 7.96 4.51 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 1.28 0.00 0.00 0.92 0.00 0.00 73 P 0.00 4.56 0.00 2.23 2.20 0.00 3.53 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 74 E 8.17 4.22 0.00 2.03 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 0.00 2.27 2.12 0.00 75 V 8.14 4.23 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 0.87 0.00 0.00 1.11 0.00 0.00 76 N 9.38 4.54 0.00 2.69 2.58 0.00 0.00 6.92 7.57 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 77 E 6.38 4.13 0.00 2.16 1.84 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 2.32 2.31 0.00 78 I 8.36 4.81 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 1.36 0.98 0.89 0.00 0.00 79 E 9.27 4.67 0.00 1.99 1.82 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 2.23 2.33 0.00 80 V 8.39 4.71 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 0.73 0.00 0.00 0.89 0.00 0.00 81 N 9.16 4.81 0.00 2.58 2.67 0.00 0.00 6.18 7.48 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 82 V 8.23 4.00 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 0.16 0.00 0.00 0.79 0.00 0.00 83 V 7.69 4.18 2.05 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 0.86 0.00 0.00 0.96 0.00 0.00 84 W 8.47 5.15 0.00 3.33 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 85 N 8.07 5.12 0.00 2.76 2.75 0.00 0.00 7.04 8.02 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 86 P 0.00 4.58 0.00 2.15 2.01 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 87 P 0.00 4.83 0.00 2.32 2.25 0.00 3.57 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 2.05 2.16 0.00 88 W 8.86 4.51 0.00 3.34 3.29 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 89 S 6.79 3.92 0.00 3.72 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 90 K 7.59 3.51 0.00 1.82 1.88 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.20 1.34 7.81 91 E 7.35 3.97 0.00 1.78 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 2.27 2.18 0.00 92 R 7.44 4.08 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 *94 S 7.67 4.25 0.00 4.07 4.11 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 95 R 8.40 3.97 0.00 1.88 1.96 0.00 3.21 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 *97 A 8.14 4.33 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 98 K 8.23 4.05 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.61 7.81 99 I 7.97 3.71 1.88 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 1.46 0.93 0.92 0.00 0.00 100 A 7.94 4.02 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 0.00 101 L 8.27 3.97 0.00 1.73 1.78 1.00 0.83 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 0.00 102 G 7.81 3.74 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 0.00 0.00 0.00 103 I 7.05 4.31 1.88 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 1.53 0.57 0.92 0.00 0.00 104 R 8.68 4.19 0.00 1.77 1.84 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.