NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7729 8.1293 121.6797 57.9282 38.6749 174.2169 2 D 4.3497 8.7740 125.9763 52.1534 40.6668 176.0434 3 G 4.0197 9.2606 109.7344 45.5019 0.0000 175.3649 4 Q 4.1340 7.6242 116.7633 56.9257 29.1879 175.7761 5 N 4.6724 8.0195 115.2154 52.0739 37.8167 174.3437 6 C 5.0031 8.2996 120.5623 54.9955 42.0149 174.7610 7 K 4.0624 8.6763 124.8277 59.3222 32.0499 176.7569 8 E 4.6979 7.6127 113.8910 54.4243 31.9034 172.5032 9 P 4.3815 0.0000 0.0000 64.1073 31.6306 177.0437 10 G 3.9060 9.1414 109.7978 45.9685 0.0000 173.5164 11 N 4.8649 8.1908 118.6608 51.9274 39.4156 173.3202 12 C 5.0498 8.5305 118.0349 55.7157 41.6252 174.3603 13 W 4.2697 8.1770 129.9738 57.5524 30.8617 175.0303 14 E 3.7107 5.9000 122.6499 53.7831 32.9919 175.0005 15 N 3.8869 7.1458 119.4243 52.3420 38.3351 175.1592 16 K 4.2630 8.1730 119.5242 54.9607 33.1950 174.7089 17 P 4.3869 0.0000 0.0000 64.6591 31.4950 177.2902 18 G 3.8786 8.9860 109.7300 45.8074 0.0000 172.6099 19 Y 4.7808 7.8787 116.9702 55.1286 40.2998 173.9660 20 P 4.6471 0.0000 0.0000 62.4673 32.3994 176.5683 21 E 4.3611 8.9026 120.2030 58.5406 29.7671 177.6890 22 K 4.7251 7.7645 116.2540 55.0254 35.7278 176.1970 23 I 3.9579 8.5886 123.0988 63.9153 37.6169 176.2144 24 A 4.1167 7.9409 121.0402 53.9621 18.2832 177.9772 25 G 3.9055 9.8626 110.9475 45.6203 0.0000 173.7020 26 S 4.5984 8.1717 115.6676 56.4125 65.0386 174.7000 27 K 4.0912 8.1977 117.9297 58.6550 32.3464 176.8835 28 Y 4.8676 7.4222 116.0538 57.5368 38.6225 175.1419 29 D 4.4005 7.7464 120.5803 54.0195 41.4184 174.9106 30 P 4.2041 0.0000 0.0000 63.7639 32.2128 176.2843 31 K 3.7577 8.0921 117.8424 57.6501 29.8183 174.8345 32 H 4.3978 7.6466 114.4062 55.6901 30.0279 175.9066 33 D 4.6646 8.5440 122.7809 52.6636 41.9791 175.2649 34 P 4.2760 0.0000 0.0000 65.8739 31.0957 178.7574 35 V 3.6288 8.0839 116.5085 65.8021 31.7720 177.7805 36 E 4.0974 8.1058 117.9116 59.5041 29.2970 179.0158 37 L 4.0092 8.0593 117.9057 57.5111 42.0488 178.4874 38 N 4.6723 7.9254 114.2049 53.3257 38.7323 176.9902 39 K 3.8756 7.8361 121.4151 59.8097 32.1556 178.7635 40 Q 3.9756 8.0898 117.4426 59.0054 28.6361 178.6326 41 E 3.8992 8.0889 119.5849 59.2906 29.7257 178.4323 42 E 3.9424 7.9760 118.1030 59.4464 29.5476 179.2302 43 S 4.0643 8.2679 113.1973 61.5350 62.3954 176.1521 44 I 3.6947 7.9485 122.5463 64.3704 36.7314 178.2444 45 K 3.8512 8.1524 118.8878 59.7033 31.8407 179.0396 46 A 3.9827 8.2055 120.7826 55.4699 18.2943 179.3189 47 M 3.9721 8.2150 116.5996 58.9003 32.3169 178.1590 48 D 4.3576 8.5187 119.2147 57.1810 40.9520 178.6479 49 A 3.9579 7.7668 121.0231 55.2751 18.5370 179.8616 50 R 3.7750 7.6707 116.3436 59.5746 30.2032 179.1633 51 N 4.3400 8.2080 115.9893 56.2522 38.0777 177.4329 52 A 4.0447 8.1661 122.2377 54.9561 18.4400 179.8844 53 K 3.9210 7.9407 117.2587 59.5013 32.1797 179.8766 54 R 3.6516 7.7336 118.5352 59.0837 29.7680 179.1567 55 I 3.8329 7.4929 111.4307 63.6149 37.9482 177.9905 56 A 4.0594 7.6294 122.1406 55.0974 18.0960 178.9844 57 N 4.1830 7.9511 113.9128 55.9265 39.1921 175.6175 58 A 4.5845 7.3966 118.4689 51.4969 20.0651 177.4012 59 K 4.0976 7.8485 117.6726 58.0251 32.4581 177.9539 60 S 4.5069 7.9871 112.8275 58.9567 63.7517 174.6238 61 S 4.4583 7.9338 115.2166 59.8206 64.2216 175.8039 62 G 4.0303 8.9919 108.5523 44.4656 0.0000 173.4269 63 N 4.6197 7.8131 118.7782 51.8997 39.9949 173.5350 64 F 4.0875 8.7573 128.7714 58.3777 40.0754 174.9482 65 V 4.5995 7.3408 125.8334 60.5605 34.0936 173.9458 66 F 4.2910 9.2967 127.3157 61.1176 39.6069 174.9631 67 D 4.3599 8.1930 120.1022 54.4599 41.1046 175.3224 68 V 4.5128 7.5633 118.4261 59.9608 35.9666 175.5850 69 K 3.9942 8.2358 119.1781 57.4706 32.8755 175.3396 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 Y 8.13 4.77 0.00 2.66 2.87 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 2 D 8.77 4.35 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 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 4 Q 7.62 4.13 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 5 N 8.02 4.67 0.00 2.88 2.80 0.00 0.00 6.88 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 6 C 8.30 5.00 0.00 2.98 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 7 K 8.68 4.06 0.00 1.81 1.90 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.42 7.81 8 E 7.61 4.70 0.00 2.11 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 0.00 2.27 2.32 0.00 9 P 0.00 4.38 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 10 G 9.14 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.19 4.86 0.00 2.81 2.84 0.00 0.00 6.99 7.69 0.00 0.00 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 C 8.53 5.05 0.00 3.10 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 13 W 8.18 4.27 0.00 3.20 3.10 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 0.00 14 E 5.90 3.71 0.00 1.23 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 15 N 7.15 3.89 0.00 2.93 2.57 0.00 0.00 6.14 7.13 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 16 K 8.17 4.26 0.00 1.68 1.81 0.00 1.43 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.51 7.81 17 P 0.00 4.39 0.00 2.12 2.06 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 18 G 8.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.88 4.78 0.00 3.17 2.98 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 0.00 0.00 0.00 20 P 0.00 4.65 0.00 2.58 2.14 0.00 4.20 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 2.24 2.21 0.00 21 E 8.90 4.36 0.00 2.06 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 2.36 2.41 0.00 22 K 7.76 4.73 0.00 1.83 1.79 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.33 1.52 7.81 23 I 8.59 3.96 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.92 0.00 0.00 24 A 7.94 4.12 1.26 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 25 G 9.86 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.17 4.60 0.00 3.94 4.07 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 0.00 0.00 0.00 0.00 27 K 8.20 4.09 0.00 1.61 1.72 0.00 1.11 0.00 0.00 1.40 0.00 0.00 2.69 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.59 0.21 7.81 28 Y 7.42 4.87 0.00 3.10 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 29 D 7.75 4.40 0.00 3.01 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 30 P 0.00 4.20 0.00 1.58 2.04 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 31 K 8.09 3.76 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.52 7.81 32 H 7.65 4.40 0.00 3.15 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.54 4.66 0.00 2.80 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 34 P 0.00 4.28 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 35 V 8.08 3.63 2.24 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 0.83 0.00 0.00 0.96 0.00 0.00 36 E 8.11 4.10 0.00 2.19 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 2.55 2.34 0.00 37 L 8.06 4.01 0.00 1.66 1.73 0.80 0.92 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 N 7.93 4.67 0.00 2.77 2.83 0.00 0.00 6.86 8.25 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 39 K 7.84 3.88 0.00 2.03 1.87 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 40 Q 8.09 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 41 E 8.09 3.90 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 7.98 3.94 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 2.33 2.56 0.00 43 S 8.27 4.06 0.00 3.87 4.09 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 44 I 7.95 3.69 2.01 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 1.53 0.76 0.94 0.00 0.00 45 K 8.15 3.85 0.00 2.08 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.47 7.81 46 A 8.21 3.98 1.38 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 47 M 8.22 3.97 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 48 D 8.52 4.36 0.00 2.94 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 49 A 7.77 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 50 R 7.67 3.77 0.00 1.89 1.85 0.00 3.02 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 51 N 8.21 4.34 0.00 2.96 2.90 0.00 0.00 6.96 7.91 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 52 A 8.17 4.04 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 53 K 7.94 3.92 0.00 1.88 1.79 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.73 7.81 54 R 7.73 3.65 0.00 1.98 1.47 0.00 3.04 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 55 I 7.49 3.83 1.97 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 1.47 0.53 1.09 0.00 0.00 56 A 7.63 4.06 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 57 N 7.95 4.18 0.00 2.97 2.81 0.00 0.00 7.05 7.34 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 58 A 7.40 4.58 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 59 K 7.85 4.10 0.00 1.97 1.97 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 60 S 7.99 4.51 0.00 4.04 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 61 S 7.93 4.46 0.00 3.96 3.98 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 0.00 0.00 0.00 62 G 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.81 4.62 0.00 2.66 2.72 0.00 0.00 7.14 7.02 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 64 F 8.76 4.09 0.00 3.10 2.94 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 65 V 7.34 4.60 2.13 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 0.69 0.00 0.00 1.01 0.00 0.00 66 F 9.30 4.29 0.00 3.18 3.24 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 0.00 67 D 8.19 4.36 0.00 2.78 2.61 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 0.00 0.00 0.00 68 V 7.56 4.51 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 0.72 0.00 0.00 0.83 0.00 0.00 69 K 8.24 3.99 0.00 1.64 1.60 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.24 7.81