NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7538 8.3393 109.7365 45.3734 0.0000 175.0886 *2 N 4.5117 7.9950 115.2152 51.7020 40.5029 175.0511 3 I 3.6433 8.1207 119.6477 64.5382 37.7571 177.4073 4 D 4.3374 8.0370 119.0732 57.3521 40.6765 178.2516 5 E 3.9448 7.9637 119.0720 59.1546 29.6487 178.8610 6 I 3.6842 7.7390 119.8888 64.6014 37.1141 178.2301 7 E 4.1094 8.3445 119.3656 59.3259 29.1897 179.5930 8 R 3.9007 7.8146 118.7876 59.3803 30.1657 178.7294 9 K 4.0348 8.2586 118.3505 59.2625 32.0756 179.4282 10 I 3.6938 8.2557 120.6963 64.6266 37.0584 178.2316 11 D 4.4101 7.9450 119.4649 57.2679 40.6947 178.6367 12 E 3.9495 8.2740 119.0875 59.3951 29.3757 179.2908 13 A 3.9825 8.2199 121.0140 54.9217 18.4998 179.8955 14 I 3.6096 7.6285 118.1300 64.4503 37.0229 178.0151 15 E 4.0031 8.0305 121.3916 59.6817 29.5135 178.8252 16 K 4.2749 7.5693 119.6730 55.6285 32.0158 178.0023 17 E 3.1412 7.3986 116.6016 58.4062 27.8193 175.9016 18 D 4.4903 7.3828 119.2043 53.5329 39.1097 174.9677 19 Y 4.3450 7.5292 121.5744 59.8007 38.4798 176.6982 20 E 3.9895 8.1789 120.3906 59.6044 29.8425 178.7502 21 T 3.8897 8.0152 115.3701 66.2462 68.5507 176.1375 22 L 3.9349 8.0006 122.3354 58.2700 42.1467 178.8875 23 L 3.9885 8.0109 118.7265 58.0174 41.6081 179.6355 24 S 4.0850 8.0563 112.7404 61.4562 62.3926 176.1705 25 L 4.0287 8.3407 122.1127 57.8518 41.4164 179.5748 26 L 4.0588 8.5520 119.3082 57.7013 41.2642 179.3378 27 N 4.3803 8.0470 115.9712 56.2447 38.2933 177.3154 28 K 4.1251 8.1446 119.9851 59.3722 32.2022 179.4523 29 R 3.7257 8.1922 119.1944 59.1447 29.7824 178.4472 30 K 4.0034 7.8481 118.5223 59.3361 32.1618 178.3604 31 E 4.1231 7.5323 118.2125 58.7922 30.7639 178.0453 32 L 4.2214 7.7928 122.3023 54.9072 40.7129 178.4863 *34 E 4.3021 8.0038 115.5939 55.8624 32.2801 179.3176 35 G 3.8680 7.8168 105.6078 46.5721 0.0000 174.1898 36 L 4.2032 7.5753 119.5422 53.6678 42.5915 175.6993 37 P 4.5224 0.0000 0.0000 62.9714 33.4444 178.6153 38 K 4.0956 8.7497 127.0079 60.6764 31.6411 180.9552 39 D 4.5953 7.9964 120.6100 58.4865 39.8477 181.8945 40 K 4.2054 7.9697 120.7926 59.0187 32.1841 178.7749 41 L 3.9875 7.8897 119.6035 57.9328 41.6979 179.6698 42 S 4.1001 7.9218 113.6030 61.3708 62.8026 176.0345 43 E 3.9175 8.1391 122.6669 59.2572 29.3502 178.9757 44 I 3.7821 7.8874 119.8645 64.2909 36.9153 178.4625 45 L 4.0050 8.0438 119.4641 57.4875 41.5673 178.9346 46 E 4.0686 8.1379 119.2392 59.2620 29.6581 178.8934 47 K 3.9428 7.9794 118.5324 59.7402 32.0325 178.9018 48 D 4.4041 8.3310 119.0591 57.4052 40.6744 179.1444 49 R 3.9009 7.7225 118.2748 59.3220 30.1780 178.9503 50 K 3.8965 8.1271 117.5689 59.7895 32.0324 179.3152 51 R 3.9602 8.1639 118.0070 59.3404 30.0294 179.0422 52 L 4.0208 8.2235 118.9437 57.8435 41.5890 179.5096 53 E 3.9854 8.2615 118.4443 59.3874 29.5099 179.4488 54 I 3.7391 7.8736 120.0026 64.4897 37.1901 178.6183 55 I 3.9263 7.8340 113.6326 63.5743 37.4992 177.8228 56 E 3.9239 8.2737 121.6443 58.9392 29.4400 178.5376 57 K 3.9701 8.2349 119.8238 59.6150 32.3294 179.0856 58 R 3.9887 8.0293 118.2089 58.9406 30.0141 178.7944 59 K 3.8724 8.4043 119.9110 59.9337 32.2075 178.9851 60 T 4.0509 8.2317 115.7601 66.5767 68.4282 176.5198 61 A 4.0639 8.0373 122.8315 55.0837 18.3627 179.7443 62 L 3.9349 7.9336 117.3942 57.9604 41.6133 179.6595 63 F 4.2060 8.1604 117.7672 60.5438 38.7424 177.4009 64 Q 4.0094 8.2355 119.2072 59.1905 28.7723 178.0224 65 E 3.9252 8.1479 119.9840 59.4593 29.7057 178.8283 66 I 3.7112 7.8819 119.8009 64.4739 36.9873 178.2586 67 N 4.3968 8.5451 117.7345 56.3303 38.4409 177.6945 68 V 3.6259 8.0640 119.8158 66.0179 31.5807 178.1011 69 I 3.7308 8.0534 119.8233 64.3223 36.9069 178.3343 70 R 3.9105 8.1528 119.5516 59.4346 29.9221 178.3806 71 E 3.9592 8.0569 118.1907 59.4118 29.4192 179.2447 72 A 4.0068 8.1120 120.7818 54.9200 18.3357 179.5425 73 R 3.7983 8.1160 117.2338 59.7494 29.9635 178.5893 74 S 4.1177 7.7297 113.3794 62.0681 63.0092 176.7381 75 S 4.2315 7.9453 113.7737 61.2328 62.1412 175.8220 76 L 4.1983 8.1881 121.6349 56.3823 42.7432 178.4666 77 Q 4.4838 7.9409 119.9908 54.2543 25.7319 175.8570 78 K 4.1921 7.5765 122.0899 56.4666 33.1728 176.6353 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 0 G 8.34 3.75 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 0.00 *2 N 8.00 4.51 0.00 2.95 3.02 0.00 0.00 5.57 7.78 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 3 I 8.12 3.64 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 1.64 1.19 0.91 0.00 0.00 4 D 8.04 4.34 0.00 2.72 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 5 E 7.96 3.94 0.00 2.33 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 2.30 2.35 0.00 6 I 7.74 3.68 2.02 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 1.52 0.47 0.91 0.00 0.00 7 E 8.34 4.11 0.00 2.13 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 2.52 2.47 0.00 8 R 7.81 3.90 0.00 1.99 2.03 0.00 3.09 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 1.62 1.66 0.00 9 K 8.26 4.03 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.67 7.81 10 I 8.26 3.69 2.09 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 1.18 0.93 0.00 0.00 11 D 7.94 4.41 0.00 2.77 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 12 E 8.27 3.95 0.00 2.20 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 2.32 2.43 0.00 13 A 8.22 3.98 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 14 I 7.63 3.61 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.97 0.00 0.00 15 E 8.03 4.00 0.00 1.96 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 0.00 2.30 2.32 0.00 16 K 7.57 4.27 0.00 1.92 1.67 0.00 2.02 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.34 7.81 17 E 7.40 3.14 0.00 1.99 1.87 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 2.26 2.16 0.00 18 D 7.38 4.49 0.00 2.64 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.34 0.00 3.08 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 20 E 8.18 3.99 0.00 2.11 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 2.39 2.48 0.00 21 T 8.02 3.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 22 L 8.00 3.93 0.00 1.91 1.98 0.96 0.58 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 23 L 8.01 3.99 0.00 2.10 1.74 1.03 0.67 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 24 S 8.06 4.09 0.00 3.92 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 25 L 8.34 4.03 0.00 1.90 1.71 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.55 4.06 0.00 1.81 1.73 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.05 4.38 0.00 2.88 2.88 0.00 0.00 7.06 7.44 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 28 K 8.14 4.13 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 29 R 8.19 3.73 0.00 2.03 2.06 0.00 3.21 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 30 K 7.85 4.00 0.00 2.28 1.83 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.35 7.81 31 E 7.53 4.12 0.00 2.25 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 2.34 2.22 0.00 32 L 7.79 4.22 0.00 1.88 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *34 E 8.00 4.30 0.00 2.01 1.91 0.00 0.00 0.00 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 1.89 0.00 35 G 7.82 3.87 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 0.00 0.00 0.00 36 L 7.58 4.20 0.00 1.65 1.61 0.92 1.04 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 37 P 0.00 4.52 0.00 2.15 1.97 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 38 K 8.75 4.10 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.08 7.81 39 D 8.00 4.60 0.00 2.68 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 40 K 7.97 4.21 0.00 1.86 1.83 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.59 7.81 41 L 7.89 3.99 0.00 1.93 1.70 0.92 0.80 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 42 S 7.92 4.10 0.00 4.08 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 43 E 8.14 3.92 0.00 2.10 2.17 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 2.31 2.36 0.00 44 I 7.89 3.78 2.02 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 1.75 0.50 0.92 0.00 0.00 45 L 8.04 4.01 0.00 1.75 1.73 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.14 4.07 0.00 2.26 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 0.00 2.31 2.40 0.00 47 K 7.98 3.94 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 48 D 8.33 4.40 0.00 3.00 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 49 R 7.72 3.90 0.00 2.11 1.98 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 50 K 8.13 3.90 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 51 R 8.16 3.96 0.00 2.08 2.01 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 52 L 8.22 4.02 0.00 1.89 1.73 0.93 1.21 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 53 E 8.26 3.99 0.00 2.22 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 2.53 0.00 54 I 7.87 3.74 2.05 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 1.60 1.20 0.96 0.00 0.00 55 I 7.83 3.93 1.82 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 1.69 1.13 1.07 0.00 0.00 56 E 8.27 3.92 0.00 2.30 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 2.31 2.37 0.00 57 K 8.23 3.97 0.00 1.99 2.01 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 58 R 8.03 3.99 0.00 2.13 2.04 0.00 3.35 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 59 K 8.40 3.87 0.00 1.82 1.99 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.48 7.81 60 T 8.23 4.05 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 1.25 0.00 0.00 61 A 8.04 4.06 1.39 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 62 L 7.93 3.93 0.00 1.74 1.56 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.16 4.21 0.00 3.24 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 64 Q 8.24 4.01 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 65 E 8.15 3.93 0.00 2.12 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 0.00 2.31 2.36 0.00 66 I 7.88 3.71 2.14 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 1.00 0.00 0.00 67 N 8.55 4.40 0.00 2.93 2.89 0.00 0.00 6.64 7.41 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 68 V 8.06 3.63 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 1.04 0.00 0.00 1.00 0.00 0.00 69 I 8.05 3.73 2.09 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 1.41 0.65 0.92 0.00 0.00 70 R 8.15 3.91 0.00 1.91 2.11 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 71 E 8.06 3.96 0.00 2.19 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 2.34 2.58 0.00 72 A 8.11 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.80 0.00 1.90 2.13 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 74 S 7.73 4.12 0.00 4.05 3.94 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 0.00 0.00 0.00 75 S 7.95 4.23 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.20 0.00 1.89 1.71 0.92 0.79 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 77 Q 7.94 4.48 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 78 K 7.58 4.19 0.00 1.68 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.