NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4478 8.2893 120.3264 55.0922 32.9757 175.6830 2 K 3.8884 8.3907 127.3130 57.4807 34.0346 175.1452 3 A 3.6421 8.0538 120.9613 51.2126 18.8220 178.4875 4 K 3.9827 8.4510 119.3205 57.1600 32.4883 175.2416 5 E 4.2749 8.8567 126.7199 56.3503 30.7437 177.4795 6 L 4.4075 8.7664 118.3851 54.4718 41.9308 179.2896 7 R 4.2355 7.9669 112.4886 56.3898 29.7636 177.7376 8 E 4.6239 9.0576 114.3687 55.3501 31.8233 174.3828 9 K 4.0556 8.0645 122.6259 56.5659 31.1564 175.8278 10 S 4.2146 8.0077 117.5121 61.0417 63.9854 176.1767 11 V 4.0294 7.4230 121.4544 60.2304 30.0540 175.5715 12 E 4.2508 7.5533 119.0913 57.4637 31.1898 178.1563 13 E 4.8933 8.0202 117.8541 55.8880 31.2034 175.2111 14 L 4.1847 7.7597 120.0126 56.3917 42.9984 177.8077 15 N 4.2143 8.2791 115.9627 54.1273 37.5445 174.1850 16 T 3.7900 8.3116 110.2834 62.7002 65.9942 173.6604 17 E 4.1070 7.7563 122.4116 58.2312 30.0024 176.5556 18 L 4.1972 7.8050 119.4465 56.5124 41.8164 178.3910 19 L 3.7906 7.6868 117.9163 58.3317 41.6513 179.1537 20 N 4.0003 7.3821 114.4548 56.3249 38.5541 175.5369 21 L 4.3908 7.7995 119.2811 55.1894 42.3876 177.6301 22 L 4.1864 8.7504 119.2243 57.5543 41.3431 179.4454 23 R 3.8346 7.6359 119.9007 59.1325 30.2212 176.9786 24 E 4.1810 7.8015 116.7907 57.2681 30.1063 178.1666 25 Q 4.1455 8.5565 122.2547 58.5910 29.4139 178.4169 26 F 4.2810 8.4931 118.5930 60.5082 40.7547 175.5669 27 N 4.2705 8.4707 117.3694 54.0176 38.0792 178.8025 28 L 3.7002 6.0259 123.4779 58.2589 42.4832 178.8112 29 R 3.9798 8.6733 118.7068 57.9852 29.9598 177.0790 30 M 3.9439 7.9840 114.2675 57.8500 31.0383 176.3756 31 Q 4.5248 7.5797 116.1393 53.4972 34.8654 176.9320 32 A 3.6433 9.2570 123.1747 53.1754 17.4933 179.4825 33 A 4.1712 8.9553 121.9667 50.9386 19.2270 179.5502 34 S 4.4563 7.9230 111.9492 58.2572 62.2065 172.2546 35 G 3.9741 7.9906 116.4857 45.1843 0.0000 172.9003 36 Q 4.3235 8.4764 123.9319 56.7095 30.1124 176.4970 37 L 4.6368 7.8918 115.4685 56.2317 46.0008 177.5347 38 Q 4.1290 8.1876 115.9953 59.0629 28.5929 176.3251 39 Q 4.7831 7.4445 120.2171 54.7328 31.7233 174.9768 40 S 5.5886 7.6603 126.7455 56.4258 61.3375 177.2233 41 H 4.1289 8.5029 114.7350 56.6534 28.6979 173.1765 42 L 4.5313 8.3126 122.0992 57.2473 43.4153 178.8952 43 L 3.5149 6.8999 115.1335 57.8860 42.3152 178.5625 44 K 4.2149 7.7707 122.0881 58.0106 32.7854 177.8538 45 Q 4.3703 8.0610 116.7194 57.2167 29.4535 175.3143 46 V 4.2404 7.2433 120.9738 62.5786 35.9092 174.0894 47 R 4.2615 8.1520 117.3304 56.5407 29.6769 176.6277 48 R 4.2037 7.9685 113.4130 57.7666 30.0582 177.5943 49 D 4.5273 7.8641 119.7617 54.9295 39.3245 177.8127 50 V 3.5887 7.5625 120.5455 66.2285 31.1203 177.6980 51 A 3.9241 7.9803 119.9618 55.1779 18.3619 179.2665 52 R 4.1089 7.6943 116.1127 59.7171 30.1281 179.0760 53 V 3.5540 7.7327 116.9933 66.0506 31.7337 177.8275 54 K 3.9069 8.0657 118.9509 59.5004 31.9620 179.1138 55 T 3.8332 8.8471 117.4964 66.4091 68.3459 176.0315 56 L 4.1759 8.0386 123.8022 57.6174 41.8732 178.4899 57 L 3.8332 7.8452 118.8213 58.5864 42.0002 178.3907 58 N 4.4317 8.0280 115.3751 56.3077 38.9675 176.3513 59 E 4.2245 8.1578 120.2314 58.5441 29.7895 178.6828 60 K 4.3327 8.6528 119.5920 56.4259 32.6775 178.1814 61 A 4.1423 7.9506 122.6286 54.6484 19.0138 179.6944 62 G 3.8142 7.8267 105.6187 44.3469 0.0000 173.4248 63 A 4.3122 7.9771 127.0512 52.4165 19.2884 176.8706 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 4.45 0.00 2.02 1.75 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 2.54 0.00 2 K 8.39 3.89 0.00 2.06 1.87 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.56 7.81 3 A 8.05 3.64 1.40 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 0.00 0.00 0.00 4 K 8.45 3.98 0.00 1.72 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 5 E 8.86 4.27 0.00 2.03 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 6 L 8.77 4.41 0.00 1.75 1.64 0.92 0.86 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 7 R 7.97 4.24 0.00 1.79 1.96 0.00 3.32 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 8 E 9.06 4.62 0.00 1.90 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 2.19 2.27 0.00 9 K 8.06 4.06 0.00 1.84 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.61 7.81 10 S 8.01 4.21 0.00 3.90 3.92 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 11 V 7.42 4.03 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 0.74 0.00 0.00 0.93 0.00 0.00 12 E 7.55 4.25 0.00 2.07 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 2.27 2.56 0.00 13 E 8.02 4.89 0.00 1.92 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 2.21 2.27 0.00 14 L 7.76 4.18 0.00 1.61 1.71 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.28 4.21 0.00 2.85 2.96 0.00 0.00 6.15 7.22 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 16 T 8.31 3.79 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 1.19 0.00 0.00 17 E 7.76 4.11 0.00 2.24 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 2.29 2.37 0.00 18 L 7.80 4.20 0.00 1.73 1.58 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.69 3.79 0.00 1.61 1.54 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.38 4.00 0.00 2.94 2.84 0.00 0.00 7.22 7.66 0.00 0.00 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 L 7.80 4.39 0.00 1.98 1.66 0.92 0.44 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 22 L 8.75 4.19 0.00 1.78 1.68 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.64 3.83 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 24 E 7.80 4.18 0.00 2.19 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 2.40 2.27 0.00 25 Q 8.56 4.15 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.10 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 26 F 8.49 4.28 0.00 2.91 3.09 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 27 N 8.47 4.27 0.00 3.15 2.60 0.00 0.00 6.96 6.74 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 28 L 6.03 3.70 0.00 1.67 1.82 0.96 1.30 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 29 R 8.67 3.98 0.00 1.76 2.11 0.00 3.29 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 30 M 7.98 3.94 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 31 Q 7.58 4.52 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 32 A 9.26 3.64 1.25 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 0.00 0.00 33 A 8.96 4.17 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 34 S 7.92 4.46 0.00 3.83 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 35 G 7.99 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.48 4.32 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 37 L 7.89 4.64 0.00 1.58 1.66 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.19 4.13 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 39 Q 7.44 4.78 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 40 S 7.66 5.59 0.00 3.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.50 4.13 0.00 3.43 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.31 4.53 0.00 1.73 1.66 1.01 0.67 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 43 L 6.90 3.51 0.00 1.78 1.60 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.77 4.21 0.00 1.72 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.40 7.81 45 Q 8.06 4.37 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 46 V 7.24 4.24 2.09 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 0.83 0.00 0.00 0.93 0.00 0.00 47 R 8.15 4.26 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 48 R 7.97 4.20 0.00 2.08 2.35 0.00 2.99 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 49 D 7.86 4.53 0.00 2.93 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 50 V 7.56 3.59 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 0.99 0.00 0.00 0.97 0.00 0.00 51 A 7.98 3.92 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 R 7.69 4.11 0.00 2.10 2.03 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 53 V 7.73 3.55 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 1.10 0.00 0.00 0.99 0.00 0.00 54 K 8.07 3.91 0.00 1.94 1.90 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 55 T 8.85 3.83 4.41 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 1.33 0.00 0.00 56 L 8.04 4.18 0.00 1.87 1.79 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.85 3.83 0.00 1.64 1.82 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.03 4.43 0.00 2.97 3.02 0.00 0.00 7.30 7.01 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 59 E 8.16 4.22 0.00 2.29 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 2.31 2.35 0.00 60 K 8.65 4.33 0.00 1.71 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 61 A 7.95 4.14 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 62 G 7.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.31 1.27 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 0.00 0.00