NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3402 8.2893 120.3260 54.1174 33.3016 174.7242 2 P 4.2945 0.0000 0.0000 63.1787 31.4822 174.5906 3 R 4.4181 9.5488 126.0983 55.8448 32.4201 176.7722 4 L 4.8172 8.8215 121.5987 53.1939 44.1152 175.5257 5 K 4.8064 8.7193 125.2578 54.9256 34.0208 174.8614 6 V 4.5911 9.0811 128.4649 60.8265 34.4289 173.9709 7 K 5.0743 8.1538 127.8578 54.2614 35.0620 174.5769 8 L 4.4043 8.6982 130.4439 55.4064 42.3782 177.2858 9 V 5.0375 9.4008 118.6970 59.3205 34.2572 175.8454 10 K 4.5246 7.8687 120.7433 53.7916 34.5608 175.4337 11 S 4.2020 8.7935 121.0189 58.3153 62.8771 171.6039 12 P 4.8583 0.0000 0.0000 62.4701 31.4889 175.0957 13 I 3.7039 7.3709 121.1065 63.4455 37.0872 176.5286 14 G 3.8934 9.1951 114.0762 45.2280 0.0000 172.7137 15 Y 4.5318 7.1742 116.8557 55.8233 39.7465 174.4040 16 P 4.4735 0.0000 0.0000 62.5673 33.3868 177.1517 17 K 3.8326 9.0360 119.4880 60.3837 31.9491 179.3306 18 D 4.4285 7.7537 118.0889 56.7738 39.6313 179.1389 19 Q 3.9711 8.1298 120.1444 58.1284 28.6070 178.7514 20 K 3.9392 8.0262 118.3097 59.1978 32.2166 179.0754 21 A 4.0918 8.6124 121.3370 55.0487 18.3564 179.1402 22 A 3.9187 8.4997 119.7651 55.7378 18.2786 179.8424 23 L 3.8900 7.6533 117.1419 57.8522 41.4446 179.7197 24 K 3.8516 8.1635 118.8118 59.4009 32.1791 178.4518 25 A 4.1294 7.7535 119.8500 55.1065 18.4742 179.1518 26 L 4.1577 8.0251 117.1057 55.7385 41.7207 178.1807 27 G 3.7804 8.6303 106.5565 45.6362 0.0000 173.5470 28 L 5.1561 7.5703 119.7327 52.7891 40.4893 176.6853 29 R 4.2090 8.0489 122.8009 57.9297 31.1474 177.4089 30 R 4.2272 7.4404 116.5515 55.4761 31.2800 176.6926 31 L 4.0251 8.2364 120.5904 55.6564 42.3000 176.8109 32 Q 3.5163 9.1351 117.1213 56.7954 27.3523 173.1718 33 Q 4.3134 7.6266 120.1263 55.9096 30.1560 174.7422 34 E 5.1845 8.5794 125.0175 55.3317 32.0770 175.4790 35 R 4.4749 8.7008 121.4147 55.5521 34.2728 174.0269 36 V 4.7089 8.5610 120.1667 60.0817 32.8134 174.9849 37 L 4.7467 8.6892 126.0809 52.2729 44.9110 175.9028 38 E 4.3009 8.6924 121.5554 56.2868 30.6529 175.5488 39 D 4.8868 8.2103 119.1911 53.9965 41.8460 176.7155 40 T 4.0369 7.7379 110.7685 60.8208 69.2468 172.0368 41 P 4.1966 0.0000 0.0000 65.7524 30.9636 178.5049 42 A 3.9106 7.7572 119.0743 55.5216 18.2638 179.8917 43 I 3.5269 7.5393 117.2551 64.6071 37.3217 178.3271 44 R 4.0064 8.3185 119.5159 59.6264 29.7465 179.0113 45 G 3.5149 8.6000 104.4173 47.9895 0.0000 175.0232 46 N 4.5066 7.7238 117.9172 55.9505 38.5790 177.4381 47 V 3.5307 7.5502 119.3344 66.2611 31.4237 177.7059 48 E 3.9234 8.9882 119.1049 59.5737 29.1723 179.4503 49 K 4.0620 7.9462 117.8910 58.5100 32.4467 177.7177 50 V 3.9966 6.9979 111.1090 60.6849 31.9336 177.2438 51 A 4.1712 7.5014 125.8831 55.1066 18.1326 179.0009 52 H 4.8084 7.5573 109.1538 55.4860 28.9188 175.3092 53 L 4.7264 8.2905 118.7982 54.4105 44.1058 175.9132 54 V 5.2735 7.5631 110.3880 58.5702 36.1211 175.6640 55 R 4.5689 8.2063 118.9133 54.6696 32.5341 175.1684 56 V 4.3430 8.2260 123.2553 61.3187 33.3566 175.9751 57 E 4.4506 8.6302 123.6661 54.9497 32.3092 174.6177 58 V 4.0653 8.4079 127.4151 63.3988 32.9457 176.0824 59 V 4.0804 8.4428 128.0014 62.5513 34.2434 175.0589 *60 E 4.1603 8.6955 123.3758 56.1349 30.3181 172.5823 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 4.34 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 -0.21 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 4.29 0.00 2.15 2.11 0.00 3.75 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 2.06 0.00 3 R 9.55 4.42 0.00 1.81 2.05 0.00 3.10 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 4 L 8.82 4.82 0.00 1.55 1.56 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.72 4.81 0.00 1.83 1.82 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 6 V 9.08 4.59 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 0.85 0.00 0.00 0.91 0.00 0.00 7 K 8.15 5.07 0.00 1.94 1.59 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.43 7.81 8 L 8.70 4.40 0.00 1.77 1.52 0.93 0.60 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 9 V 9.40 5.04 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 1.02 0.00 0.00 0.95 0.00 0.00 10 K 7.87 4.52 0.00 1.66 1.62 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.43 7.81 11 S 8.79 4.20 0.00 3.90 3.82 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 0.00 0.00 0.00 12 P 0.00 4.86 0.00 2.28 2.18 0.00 3.79 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 2.04 1.96 0.00 13 I 7.37 3.70 1.92 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 1.28 0.84 0.93 0.00 0.00 14 G 9.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.17 4.53 0.00 3.12 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 2.46 2.01 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 17 K 9.04 3.83 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.49 7.81 18 D 7.75 4.43 0.00 2.89 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 19 Q 8.13 3.97 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 20 K 8.03 3.94 0.00 1.89 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.62 7.81 21 A 8.61 4.09 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.50 3.92 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 23 L 7.65 3.89 0.00 1.81 1.86 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.16 3.85 0.00 1.72 2.01 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 7.75 4.13 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.03 4.16 0.00 1.59 1.72 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.63 3.78 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 0.00 0.00 0.00 28 L 7.57 5.16 0.00 1.62 1.64 0.89 1.08 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 29 R 8.05 4.21 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 30 R 7.44 4.23 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 31 L 8.24 4.03 0.00 1.63 1.61 0.93 0.95 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 32 Q 9.14 3.52 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.63 4.31 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.58 5.18 0.00 1.88 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 2.23 2.28 0.00 35 R 8.70 4.47 0.00 1.85 1.71 0.00 3.08 0.00 0.00 3.22 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 8.56 4.71 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.69 4.75 0.00 1.54 1.55 0.91 0.56 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 38 E 8.69 4.30 0.00 1.95 1.86 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 2.29 2.37 0.00 39 D 8.21 4.89 0.00 2.81 2.57 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 40 T 7.74 4.04 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 41 P 0.00 4.20 0.00 2.19 2.08 0.00 3.67 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 2.15 0.00 42 A 7.76 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 3.53 1.97 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 1.52 0.93 0.00 0.00 44 R 8.32 4.01 0.00 1.98 2.00 0.00 3.14 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 1.65 1.79 0.00 45 G 8.60 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.51 0.00 2.65 2.84 0.00 0.00 6.58 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 7.55 3.53 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 1.00 0.00 0.00 1.01 0.00 0.00 48 E 8.99 3.92 0.00 2.09 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 2.59 2.47 0.00 49 K 7.95 4.06 0.00 1.89 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 50 V 7.00 4.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.94 0.00 0.00 51 A 7.50 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.81 0.00 3.24 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.29 4.73 0.00 1.41 1.65 0.53 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.56 5.27 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 0.58 0.00 0.00 0.92 0.00 0.00 55 R 8.21 4.57 0.00 1.68 1.80 0.00 3.11 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 V 8.23 4.34 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 0.65 0.00 0.00 0.92 0.00 0.00 57 E 8.63 4.45 0.00 1.99 1.80 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 2.20 2.25 0.00 58 V 8.41 4.07 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 0.93 0.00 0.00 59 V 8.44 4.08 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 0.80 0.00 0.00 0.97 0.00 0.00 *60 E 8.70 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.