NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4760 8.2893 120.3259 54.4137 33.5014 176.5443 2 P 4.3786 0.0000 0.0000 61.9052 28.6792 174.1225 3 R 4.2593 8.9409 127.9108 57.5398 33.0699 176.3581 4 L 4.9565 9.0182 119.2762 52.9158 45.5674 175.9813 5 K 4.8538 9.0974 125.3145 54.9568 33.9707 174.7807 6 V 4.6122 8.8987 128.8932 60.9002 34.0314 174.0637 7 K 4.9261 8.4054 128.7655 54.3249 35.0404 174.5410 8 L 4.2877 8.6527 130.1386 55.2128 42.4397 176.9948 9 V 4.6405 9.2840 119.1633 60.7204 33.5878 175.9188 10 K 4.4171 7.7937 121.3457 53.9770 34.4425 175.3938 11 S 4.0968 8.9931 120.6169 58.6216 62.5720 172.4382 12 P 4.4978 0.0000 0.0000 64.1225 31.7707 174.5335 13 I 3.6107 7.2251 120.6012 65.4451 36.3469 175.4690 14 G 3.9532 8.9433 112.9136 45.3136 0.0000 172.0351 15 Y 4.4963 8.3367 118.0124 55.7834 39.7995 174.2886 16 P 4.4683 0.0000 0.0000 62.3867 33.3735 177.5843 17 K 3.8539 8.7292 119.5822 60.1373 31.8579 178.5605 18 D 4.3791 8.2632 118.2068 57.3883 38.8143 178.8239 19 Q 3.4978 8.1693 119.4996 58.0068 28.5785 179.1469 20 K 4.0332 8.0337 119.2649 58.9836 32.0235 179.2561 21 A 3.9788 8.4839 121.5339 54.7827 18.3356 179.1303 22 A 3.9625 8.8551 120.6666 55.6985 18.3147 179.7993 23 L 3.9027 7.6102 117.1311 57.8698 41.4389 179.7686 24 K 3.8913 7.5431 118.4513 59.4218 32.2152 178.3201 25 A 4.1306 8.5353 120.6651 55.2857 18.3568 179.3397 26 L 4.1648 7.8208 116.7020 56.2779 41.7138 178.3287 27 G 4.0165 8.1624 106.6642 45.4069 0.0000 173.0441 28 L 5.2107 7.6872 119.1441 52.7370 41.3198 175.4207 29 R 4.3921 8.0651 121.9373 57.6171 32.3302 176.6867 30 R 4.1238 7.4785 116.3914 55.6788 31.1514 176.8276 31 L 3.9401 8.2672 121.5918 56.1222 42.1190 177.7916 32 Q 3.5968 9.2174 118.4517 56.3937 27.6730 173.6235 33 Q 4.3101 7.5489 120.6020 55.5548 30.0977 174.9692 34 E 4.9252 8.7161 125.7296 56.0929 31.5066 175.8809 35 R 4.5023 8.8655 121.5135 55.5194 34.2118 174.0389 36 V 4.8241 8.5063 120.2088 60.1470 32.7681 175.0588 37 L 4.8362 8.8072 126.4412 52.2504 44.8273 176.3101 38 E 4.0885 8.8627 122.0522 57.1376 30.0282 177.6552 39 D 4.5480 8.7551 124.5593 53.2450 39.8954 175.6159 40 T 4.6444 7.5314 114.5580 58.7083 72.9602 173.4533 41 P 4.1947 0.0000 0.0000 65.3271 31.0330 178.6294 42 A 3.9892 7.7004 119.9096 55.4755 18.2911 179.8582 43 I 3.5743 7.6621 117.4005 64.5064 37.1023 178.2827 44 R 3.9861 8.3128 119.4429 59.5095 29.7418 178.8633 45 G 4.2592 8.1267 104.2909 48.1943 0.0000 175.0509 46 N 4.4558 7.6955 118.7624 56.0085 38.4519 177.5874 47 V 3.5560 7.5763 118.0738 66.1354 31.6433 177.5951 48 E 4.0603 9.0851 119.2450 59.4325 29.1762 179.2065 49 K 3.9197 7.8417 117.9736 58.8401 32.4293 178.1708 50 V 3.9910 7.2529 109.7962 61.0548 31.9180 177.5007 51 A 3.8641 7.7202 124.1773 55.5117 18.1069 180.0216 52 H 4.3538 7.6366 109.7948 57.3477 28.9537 175.5349 53 L 4.5383 8.3053 119.8951 54.6367 43.4310 175.9199 54 V 4.7513 7.5525 117.9663 60.9704 34.9579 175.0113 55 R 4.5082 8.5595 120.4644 54.6421 33.4926 174.7395 56 V 4.6165 8.4237 124.1885 61.3711 33.6434 174.8837 57 E 4.5407 8.7177 127.1074 54.3965 32.6644 174.4143 58 V 4.1261 8.4741 127.9216 62.9274 32.1170 175.2005 59 V 4.3882 8.8326 128.7787 62.2581 35.6807 174.8060 *60 E 4.1603 8.6164 119.6263 56.2107 30.3181 176.7861 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 M 8.29 4.48 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.38 0.00 2.25 2.09 0.00 3.78 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 1.98 2.04 0.00 3 R 8.94 4.26 0.00 1.88 1.93 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 4 L 9.02 4.96 0.00 1.60 1.50 0.96 0.92 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 5 K 9.10 4.85 0.00 1.79 1.67 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.35 7.81 6 V 8.90 4.61 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 0.94 0.00 0.00 0.91 0.00 0.00 7 K 8.41 4.93 0.00 1.81 1.60 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.33 7.81 8 L 8.65 4.29 0.00 1.75 1.54 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.28 4.64 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 0.77 0.00 0.00 0.97 0.00 0.00 10 K 7.79 4.42 0.00 1.64 1.63 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 11 S 8.99 4.10 0.00 3.90 3.86 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 12 P 0.00 4.50 0.00 2.33 2.28 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 13 I 7.23 3.61 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.92 0.00 0.00 14 G 8.94 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.34 4.50 0.00 3.05 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 16 P 0.00 4.47 0.00 2.48 2.02 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 17 K 8.73 3.85 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 18 D 8.26 4.38 0.00 2.87 2.96 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 0.00 0.00 0.00 19 Q 8.17 3.50 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 20 K 8.03 4.03 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 21 A 8.48 3.98 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 22 A 8.86 3.96 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 23 L 7.61 3.90 0.00 1.83 1.88 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.54 3.89 0.00 1.69 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 A 8.54 4.13 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 26 L 7.82 4.16 0.00 1.73 1.72 0.89 0.87 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 27 G 8.16 4.02 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 0.00 0.00 0.00 28 L 7.69 5.21 0.00 1.63 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.07 4.39 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 30 R 7.48 4.12 0.00 1.87 1.84 0.00 3.14 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 31 L 8.27 3.94 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.22 3.60 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.55 4.31 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 34 E 8.72 4.93 0.00 1.89 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 2.27 2.29 0.00 35 R 8.87 4.50 0.00 1.83 1.71 0.00 3.18 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 36 V 8.51 4.82 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 0.76 0.00 0.00 0.93 0.00 0.00 37 L 8.81 4.84 0.00 1.51 1.52 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.86 4.09 0.00 1.82 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 2.32 2.38 0.00 39 D 8.76 4.55 0.00 2.71 2.62 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 0.00 0.00 0.00 0.00 40 T 7.53 4.64 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 1.26 0.00 0.00 41 P 0.00 4.19 0.00 2.17 2.13 0.00 3.61 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 2.11 2.14 0.00 42 A 7.70 3.99 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 43 I 7.66 3.57 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.90 0.00 0.00 44 R 8.31 3.99 0.00 2.07 2.00 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 45 G 8.13 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 0.00 0.00 0.00 0.00 46 N 7.70 4.46 0.00 2.95 2.85 0.00 0.00 6.71 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 47 V 7.58 3.56 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 0.80 0.00 0.00 0.98 0.00 0.00 48 E 9.09 4.06 0.00 2.06 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 2.50 2.45 0.00 49 K 7.84 3.92 0.00 1.87 1.93 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 V 7.25 3.99 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 0.71 0.00 0.00 0.99 0.00 0.00 51 A 7.72 3.86 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 52 H 7.64 4.35 0.00 3.21 3.46 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.31 4.54 0.00 1.44 1.82 0.65 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.55 4.75 2.02 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 0.80 0.00 0.00 0.92 0.00 0.00 55 R 8.56 4.51 0.00 1.76 1.76 0.00 3.16 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 56 V 8.42 4.62 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 0.74 0.00 0.00 0.91 0.00 0.00 57 E 8.72 4.54 0.00 2.05 1.72 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 2.19 2.23 0.00 58 V 8.47 4.13 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 0.83 0.00 0.00 0.92 0.00 0.00 59 V 8.83 4.39 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 0.79 0.00 0.00 0.97 0.00 0.00 *60 E 8.62 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.