NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2272 8.4293 121.4703 55.2690 29.7426 172.7224 5 P 4.6161 0.0000 0.0000 58.8958 33.1759 175.1850 6 C 4.4848 8.2810 125.4604 59.4920 29.3901 174.8456 7 V 3.8328 7.7796 123.5472 62.8178 31.6022 177.4063 8 E 4.1442 8.0473 119.6264 58.3544 29.2157 178.7071 9 S 4.0587 7.7575 115.5753 61.2976 63.1246 176.4447 10 L 3.5973 7.6947 122.5850 57.0537 40.8246 179.4587 11 V 3.2203 7.3223 117.9906 65.7791 31.4244 178.1007 12 S 4.2634 8.0604 114.2465 61.6579 62.3581 176.5647 13 Q 3.9167 7.5858 121.3458 58.7553 27.1619 178.2653 14 Y 4.3104 7.7340 117.9637 60.4292 37.7968 177.7344 15 F 5.0569 7.4838 116.5941 58.7246 39.2260 177.8354 16 Q 4.2253 8.3817 118.1304 58.1673 28.4646 177.8839 17 T 4.0873 7.6037 111.3662 62.9984 69.2630 177.2206 18 V 4.1688 7.3316 118.7756 66.2495 31.4878 177.8788 19 T 4.0298 8.1175 112.9481 65.0140 66.9121 176.1158 20 D 4.3406 7.6273 120.8690 57.2099 40.7579 178.2343 21 Y 4.3638 7.9301 117.5680 61.2471 37.9607 178.9894 22 G 3.7138 8.3033 106.5321 47.7043 0.0000 175.9067 23 K 4.0900 8.3871 121.0774 59.3422 32.0815 179.2313 24 D 4.6945 8.4287 121.0071 56.8566 40.2715 178.7980 25 L 4.0944 8.2078 119.5964 57.8051 41.5750 179.1611 26 M 4.1110 8.1910 118.3887 58.4675 31.9405 178.1336 27 E 4.0395 8.3460 119.0856 59.0315 29.4876 179.0433 28 K 4.0957 7.9579 117.2133 58.2550 32.2714 179.0751 29 V 3.8854 7.2661 118.4752 65.5496 31.6213 178.0319 30 K 4.2612 8.2285 118.1107 58.4803 31.9032 179.3282 31 S 4.2465 7.8122 115.0369 61.2105 63.0133 174.8967 32 P 4.3014 0.0000 0.0000 64.1818 30.8536 178.3896 33 E 4.0735 8.0576 117.4815 58.3526 30.2170 176.9920 34 L 4.9246 7.2884 117.2541 52.0171 42.5500 173.7642 35 Q 4.1853 7.3731 126.0650 55.4935 35.6558 174.9263 36 A 3.7832 7.7089 121.2649 55.1268 19.8549 178.9368 37 E 4.4858 7.8812 113.0513 56.2506 31.1256 178.3287 38 A 3.6520 6.7571 120.1819 54.9482 18.5589 179.2534 39 K 4.3120 7.4299 115.5078 58.7013 32.3893 179.5120 40 S 4.7366 7.5561 115.3032 60.8502 62.8901 176.0401 41 Y 4.3279 7.3791 120.8312 61.1549 37.1953 178.3520 42 F 4.6476 7.5478 119.7577 60.1980 38.9791 177.2218 43 E 4.1333 8.2838 118.3266 59.2660 29.2282 179.0093 44 K 4.0752 8.0341 120.4538 59.2955 32.5362 179.0031 45 S 4.2878 8.0312 114.5652 61.3962 62.9784 176.5219 46 K 4.2590 7.8895 120.4234 58.3322 31.6921 178.1849 47 E 4.3969 7.9929 116.7857 56.7850 29.4931 176.9198 48 Q 4.5256 7.6427 114.0824 54.4384 31.3755 176.0603 49 L 4.3306 7.8249 118.7620 57.2514 42.9294 177.7659 50 T 4.1788 7.8394 115.5481 65.6935 68.6546 175.1581 51 P 4.4421 0.0000 0.0000 64.4666 31.2257 178.2133 52 L 4.0879 7.8489 117.7226 58.0284 40.8795 178.5951 53 I 4.0428 7.4615 120.4994 63.8512 37.7311 177.9824 54 K 4.1197 8.0923 118.8523 58.7179 31.4495 179.2153 55 K 4.0136 8.3048 119.9926 58.9167 32.0449 178.2855 56 A 4.3221 7.9692 120.6716 54.3890 18.2121 179.7964 57 G 3.4500 7.9277 104.6520 48.2433 0.0000 175.7531 58 T 4.2998 7.7825 113.4280 63.3667 67.6131 173.6980 59 E 4.0871 7.7378 120.5216 58.1888 30.1803 177.0135 60 L 4.1047 7.4304 120.5903 57.8988 42.6193 179.0217 61 V 3.7433 7.8615 116.5728 66.1561 31.1497 177.4621 62 N 4.5658 7.6439 115.2341 53.3551 37.9433 176.9774 *64 L 4.4362 8.0517 120.3291 55.0226 44.0623 179.4707 65 S 4.1536 7.9265 112.0522 61.4889 62.4137 175.6771 66 Y 3.9155 8.1952 118.9748 61.2693 37.1742 178.6962 67 F 4.5845 7.7901 118.0789 60.5961 39.0942 177.8139 68 V 3.7054 7.9542 117.7050 65.9939 31.2480 177.9903 69 E 3.9953 8.3937 118.4044 59.2527 29.1565 178.5201 70 L 4.5625 7.7728 115.2899 55.3404 41.9632 178.0154 71 G 4.0874 7.6888 104.3457 44.7751 0.0000 174.8218 72 T 4.4046 7.7619 117.1054 65.5643 69.5150 176.8064 73 Q 4.0443 7.6800 118.2916 58.5219 28.7469 177.0139 74 P 4.3797 0.0000 0.0000 65.5048 31.5746 178.2948 75 A 4.1416 7.9122 117.9927 55.0610 18.4184 177.3297 76 T 4.0034 7.5491 117.8428 64.0354 68.4789 174.1311 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 4 E 8.43 4.23 0.00 1.94 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 2.19 2.31 0.00 5 P 0.00 4.62 0.00 2.24 2.00 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 6 C 8.28 4.48 0.00 3.00 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 7 V 7.78 3.83 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 0.82 0.00 0.00 0.92 0.00 0.00 8 E 8.05 4.14 0.00 2.02 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 2.41 2.37 0.00 9 S 7.76 4.06 0.00 3.93 4.06 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 10 L 7.69 3.60 0.00 1.51 1.03 0.91 0.49 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 V 7.32 3.22 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 1.27 0.00 0.00 0.95 0.00 0.00 12 S 8.06 4.26 0.00 4.09 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 0.00 13 Q 7.59 3.92 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 14 Y 7.73 4.31 0.00 2.37 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.48 5.06 0.00 3.20 3.05 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 0.00 16 Q 8.38 4.23 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 17 T 7.60 4.09 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 1.21 0.00 0.00 18 V 7.33 4.17 2.53 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 1.16 0.00 0.00 1.38 0.00 0.00 19 T 8.12 4.03 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 1.26 0.00 0.00 20 D 7.63 4.34 0.00 2.65 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 21 Y 7.93 4.36 0.00 3.30 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 22 G 8.30 3.71 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 0.00 0.00 0.00 23 K 8.39 4.09 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.74 7.81 24 D 8.43 4.69 0.00 2.93 2.76 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 25 L 8.21 4.09 0.00 1.90 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.19 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 27 E 8.35 4.04 0.00 2.26 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 2.33 2.59 0.00 28 K 7.96 4.10 0.00 1.96 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.70 7.81 29 V 7.27 3.89 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 1.08 0.00 0.00 0.98 0.00 0.00 30 K 8.23 4.26 0.00 1.78 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 31 S 7.81 4.25 0.00 3.99 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 32 P 0.00 4.30 0.00 2.16 2.10 0.00 3.82 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 2.10 2.15 0.00 33 E 8.06 4.07 0.00 2.00 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 2.34 2.54 0.00 34 L 7.29 4.92 0.00 1.53 1.59 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.37 4.19 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 36 A 7.71 3.78 1.20 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 0.00 0.00 0.00 37 E 7.88 4.49 0.00 1.69 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 2.13 2.06 0.00 38 A 6.76 3.65 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 39 K 7.43 4.31 0.00 2.13 1.96 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.50 7.81 40 S 7.56 4.74 0.00 3.98 4.13 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 0.00 0.00 0.00 0.00 41 Y 7.38 4.33 0.00 2.70 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 42 F 7.55 4.65 0.00 3.25 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 43 E 8.28 4.13 0.00 2.23 2.22 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 2.47 2.63 0.00 44 K 8.03 4.08 0.00 1.74 1.89 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.47 7.81 45 S 8.03 4.29 0.00 4.15 4.23 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 0.00 0.00 0.00 0.00 46 K 7.89 4.26 0.00 2.05 1.93 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.67 7.81 47 E 7.99 4.40 0.00 2.01 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 2.36 2.56 0.00 48 Q 7.64 4.53 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 49 L 7.82 4.33 0.00 1.91 1.83 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.84 4.18 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 1.22 0.00 0.00 51 P 0.00 4.44 0.00 2.16 2.10 0.00 3.61 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 2.32 2.14 0.00 52 L 7.85 4.09 0.00 1.78 1.80 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.46 4.04 2.02 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 1.64 1.10 0.91 0.00 0.00 54 K 8.09 4.12 0.00 1.99 1.86 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 K 8.30 4.01 0.00 1.99 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 A 7.97 4.32 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 57 G 7.93 3.45 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 0.00 0.00 0.00 58 T 7.78 4.30 4.23 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 0.00 0.00 0.00 1.27 0.00 0.00 59 E 7.74 4.09 0.00 1.94 1.85 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 2.23 2.23 0.00 60 L 7.43 4.10 0.00 1.81 1.73 0.93 1.02 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 61 V 7.86 3.74 2.26 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 0.80 0.00 0.00 0.99 0.00 0.00 62 N 7.64 4.57 0.00 2.93 2.70 0.00 0.00 6.94 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 *64 L 8.05 4.44 0.00 2.06 1.82 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.93 4.15 0.00 3.97 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 0.00 66 Y 8.20 3.92 0.00 2.48 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 67 F 7.79 4.58 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 68 V 7.95 3.71 2.26 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 1.07 0.00 0.00 1.07 0.00 0.00 69 E 8.39 4.00 0.00 2.16 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 0.00 2.29 2.54 0.00 70 L 7.77 4.56 0.00 1.75 1.78 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.69 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 0.00 0.00 0.00 72 T 7.76 4.40 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 1.22 0.00 0.00 73 Q 7.68 4.04 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 74 P 0.00 4.38 0.00 2.03 2.12 0.00 3.65 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 2.24 2.15 0.00 75 A 7.91 4.14 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 76 T 7.55 4.00 4.39 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.