NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2326 8.2649 123.5816 52.0104 19.2703 176.5099 3 K 4.2491 8.0807 123.3040 54.5841 31.3803 170.7838 4 E 4.9765 8.0485 132.2223 56.0883 33.3990 176.4975 5 P 4.4609 0.0000 0.0000 65.6492 31.9469 176.0859 6 C 4.6113 7.1850 119.3338 56.6816 30.3255 171.8227 7 V 4.3069 6.9796 124.4024 62.6150 35.9002 175.4034 8 E 3.9419 7.6560 121.4247 59.2515 28.1155 178.9752 9 S 4.3134 7.9738 111.7354 59.7956 64.2057 175.9014 10 L 4.4239 7.7401 121.5307 57.5591 41.7260 179.1531 11 V 3.8084 7.9005 112.6207 64.1911 31.0983 178.7132 12 S 4.3179 7.6531 111.6339 61.1721 62.9503 176.7028 13 Q 4.0538 7.5769 121.6172 59.2174 28.6764 177.9920 14 Y 4.0897 8.0452 119.9746 60.5363 38.3422 177.7659 15 F 4.2426 8.3344 121.4232 61.3717 39.4186 177.0347 16 Q 3.7630 7.9944 117.2381 58.5906 28.6244 178.4438 17 T 3.8028 7.8090 117.2153 66.6563 68.3822 177.0349 18 V 3.5508 7.2642 120.6746 64.8603 31.1857 178.6217 19 T 3.7954 7.0983 116.2927 66.5213 68.4228 176.6185 20 D 4.3266 8.4351 121.2214 57.2214 40.3675 178.1950 21 Y 4.4444 7.4570 121.9205 60.1336 38.8215 178.2879 22 G 3.3847 7.8180 106.5594 47.4088 0.0000 175.9287 23 K 3.9728 7.6134 121.0167 59.3910 31.6833 179.1114 24 D 4.4873 7.8904 118.7946 57.0003 40.8111 178.2247 25 L 4.2584 7.2956 117.6405 56.0557 42.0783 178.5597 26 M 4.0033 7.7874 118.8073 58.5124 31.9490 177.9292 27 E 3.9942 7.8177 117.7622 59.0009 29.4211 178.6774 28 K 4.7564 7.5623 117.3144 56.9708 32.3466 178.7592 29 V 3.8275 7.3057 118.6607 65.2160 31.6274 177.2932 30 K 4.4289 7.8169 116.3135 57.4610 32.3637 178.9532 31 S 4.0264 7.7660 115.8322 60.9070 62.8351 174.5735 32 P 4.3000 0.0000 0.0000 65.0434 31.1230 177.4583 33 E 4.3528 7.5191 115.0663 56.8852 29.5878 177.6495 34 L 4.4241 7.9954 119.3055 55.2826 40.9240 175.0715 35 Q 4.4095 8.2338 117.5947 57.0509 29.5886 175.6983 *38 A 4.4695 7.9459 121.3814 51.6306 20.6240 179.8102 39 K 4.0335 8.0461 116.4086 59.8701 32.5272 179.2053 40 S 4.4867 8.0474 115.2446 60.9073 62.8868 175.4196 41 Y 4.1327 8.1064 122.9346 60.2507 38.4309 176.9661 42 F 4.2464 8.3240 121.0727 60.9650 39.4888 176.5931 43 E 4.0308 7.9393 118.6476 58.9456 29.3037 179.1207 44 K 4.4284 7.9956 119.6101 58.5213 32.0567 179.5726 45 S 3.8687 7.8510 115.0921 61.1686 62.8712 176.7189 46 K 3.9225 7.4125 120.5635 58.6715 31.6090 178.1920 47 E 4.3008 7.6566 116.8458 56.9633 29.0071 177.7874 48 Q 4.3316 7.5292 118.6763 56.7091 30.5585 177.5578 49 L 4.0929 7.8190 119.6801 57.7193 41.9249 179.3865 50 T 3.8348 7.8065 115.4927 66.3359 68.5085 175.1438 51 P 4.2707 0.0000 0.0000 64.9459 31.0668 178.4282 52 L 3.9747 7.0465 119.4517 58.0052 42.2906 178.6261 53 I 3.9180 7.3588 119.3565 64.0971 37.1977 178.1933 54 K 4.1546 8.2097 118.3685 58.1421 31.9458 179.0266 55 K 4.0083 8.0125 120.1863 58.8029 32.0767 178.2846 56 A 4.2009 7.9102 120.6121 54.4886 17.9584 179.6091 57 G 3.5365 7.8111 103.8789 47.0271 0.0000 174.7653 58 T 4.5487 7.4778 113.6286 61.9379 68.4234 174.4679 59 E 3.7431 7.6066 118.7992 58.2509 30.2641 177.5793 60 L 3.7779 7.2503 118.6739 58.1284 42.4187 179.7568 61 V 3.5040 7.5566 118.0822 66.0155 31.1241 177.8713 62 N 4.3337 7.7027 115.7823 56.0086 38.2399 177.3240 63 F 4.0281 7.3888 120.7775 59.7878 39.0546 177.3475 64 L 4.1145 7.9451 117.5142 56.3363 41.4967 179.3060 65 S 4.0299 7.5567 114.1614 61.5267 62.4810 175.3916 66 Y 4.4809 7.1905 118.2927 58.8532 37.7858 177.4497 67 F 4.1017 7.3945 122.6989 61.4672 39.6731 176.8779 68 V 3.8508 7.8232 116.5497 65.2197 32.6648 176.8811 69 E 4.4434 7.4827 118.8457 52.5284 27.4960 177.0551 70 L 4.8009 7.0773 118.9195 54.1547 44.5454 172.0464 71 G 4.2097 7.9826 111.8252 44.8555 0.0000 171.1836 72 T 4.6107 8.1854 113.1646 61.5979 72.4169 172.0218 73 Q 4.6841 8.3371 127.9819 57.0352 36.9800 173.7359 74 P 4.4374 0.0000 0.0000 61.9890 30.0460 176.5351 75 A 3.2343 7.0496 122.6681 54.3462 15.2494 177.4542 76 T 3.4522 7.7948 105.8591 63.1180 65.0095 172.4621 77 Q 4.1100 7.9739 128.1022 56.1456 28.4290 175.0145 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 A 8.26 4.23 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 3 K 8.08 4.25 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.54 7.81 4 E 8.05 4.98 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 2.11 2.10 0.00 5 P 0.00 4.46 0.00 2.25 2.30 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 6 C 7.19 4.61 0.00 2.93 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 7 V 6.98 4.31 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 0.67 0.00 0.00 0.92 0.00 0.00 8 E 7.66 3.94 0.00 2.14 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 2.47 2.39 0.00 9 S 7.97 4.31 0.00 4.02 4.12 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 0.00 0.00 0.00 0.00 10 L 7.74 4.42 0.00 1.87 1.76 0.97 1.00 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 11 V 7.90 3.81 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 1.00 0.00 0.00 1.01 0.00 0.00 12 S 7.65 4.32 0.00 4.18 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 13 Q 7.58 4.05 0.00 2.50 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 14 Y 8.05 4.09 0.00 3.12 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 15 F 8.33 4.24 0.00 3.36 3.30 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 16 Q 7.99 3.76 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 17 T 7.81 3.80 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 1.12 0.00 0.00 18 V 7.26 3.55 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 0.70 0.00 0.00 0.85 0.00 0.00 19 T 7.10 3.80 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 1.07 0.00 0.00 20 D 8.44 4.33 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.44 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.38 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 0.00 23 K 7.61 3.97 0.00 1.88 1.81 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.65 7.81 24 D 7.89 4.49 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.30 4.26 0.00 1.36 1.52 0.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.79 4.00 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 27 E 7.82 3.99 0.00 2.05 1.95 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 0.00 2.30 2.52 0.00 28 K 7.56 4.76 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.25 7.81 29 V 7.31 3.83 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 0.97 0.00 0.00 30 K 7.82 4.43 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 31 S 7.77 4.03 0.00 3.99 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 32 P 0.00 4.30 0.00 2.03 2.16 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 33 E 7.52 4.35 0.00 1.87 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 2.32 2.29 0.00 34 L 8.00 4.42 0.00 1.66 1.68 0.96 0.60 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 35 Q 8.23 4.41 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 *38 A 7.95 4.47 1.35 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 0.00 0.00 0.00 39 K 8.05 4.03 0.00 1.83 1.86 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.46 7.81 40 S 8.05 4.49 0.00 4.14 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 41 Y 8.11 4.13 0.00 3.13 3.23 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 42 F 8.32 4.25 0.00 3.27 3.33 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 43 E 7.94 4.03 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 2.35 2.63 0.00 44 K 8.00 4.43 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.46 7.81 45 S 7.85 3.87 0.00 3.84 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 46 K 7.41 3.92 0.00 1.85 1.73 0.00 1.41 0.00 0.00 1.45 0.00 0.00 2.54 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.12 1.19 7.81 47 E 7.66 4.30 0.00 2.07 1.90 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 2.26 2.48 0.00 48 Q 7.53 4.33 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 49 L 7.82 4.09 0.00 1.62 1.64 0.85 0.45 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 50 T 7.81 3.83 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 1.16 0.00 0.00 51 P 0.00 4.27 0.00 2.11 2.06 0.00 3.39 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 52 L 7.05 3.97 0.00 1.95 1.92 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.36 3.92 1.96 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 1.50 0.97 0.88 0.00 0.00 54 K 8.21 4.15 0.00 1.81 1.81 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 55 K 8.01 4.01 0.00 2.06 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 56 A 7.91 4.20 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 57 G 7.81 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.48 4.55 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 1.19 0.00 0.00 59 E 7.61 3.74 0.00 1.80 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 2.22 2.50 0.00 60 L 7.25 3.78 0.00 1.69 1.65 0.90 0.89 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 61 V 7.56 3.50 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 0.96 0.00 0.00 0.89 0.00 0.00 62 N 7.70 4.33 0.00 2.83 2.86 0.00 0.00 7.16 8.13 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 63 F 7.39 4.03 0.00 3.13 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 64 L 7.95 4.11 0.00 1.64 1.64 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.56 4.03 0.00 4.02 3.99 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 66 Y 7.19 4.48 0.00 3.30 3.27 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 67 F 7.39 4.10 0.00 3.23 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 68 V 7.82 3.85 2.14 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 0.90 0.00 0.00 1.05 0.00 0.00 69 E 7.48 4.44 0.00 2.10 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 2.32 2.33 0.00 70 L 7.08 4.80 0.00 1.78 1.61 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.98 4.21 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 0.00 72 T 8.19 4.61 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 73 Q 8.34 4.68 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.60 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 74 P 0.00 4.44 0.00 2.07 2.01 0.00 4.03 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 2.07 0.00 75 A 7.05 3.23 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 76 T 7.79 3.45 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 77 Q 7.97 4.11 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.