NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4772 8.1633 118.3252 55.3413 33.8735 173.2982 2 Q 4.8746 8.2603 116.9314 52.1951 31.6035 173.4706 3 I 4.4894 9.3217 119.6077 59.0322 41.2723 174.9130 4 F 5.0323 9.2243 125.2152 56.5524 39.1938 174.5023 5 V 4.3584 8.6343 124.4109 60.5810 32.5957 175.5259 6 K 4.6717 9.3891 130.0506 54.7438 33.1444 176.0124 7 T 4.5786 8.5226 118.8440 61.3979 69.5618 175.6236 8 L 4.0367 8.5104 125.1639 58.0274 42.2478 178.3495 9 T 3.9924 7.7844 107.1069 62.6969 69.0512 175.1630 10 G 3.9362 8.1317 110.4905 44.9004 0.0000 174.0713 11 K 4.2254 8.0017 122.5016 55.7305 32.0836 175.0165 12 T 4.7397 8.3282 123.3024 62.3993 69.0752 173.9407 13 I 4.5743 8.5032 120.8526 59.2263 40.7130 175.0415 14 T 4.4861 8.5043 121.6452 62.6273 69.2452 173.6924 15 L 4.4520 8.8653 130.2002 53.2949 44.0762 174.8546 16 E 4.9520 8.7281 128.2303 55.3754 29.8420 175.4043 17 V 4.6012 8.8698 126.3186 59.9916 35.0213 174.9794 18 E 4.2591 9.6114 121.9764 55.9209 30.0921 178.6085 19 S 4.0515 8.6514 118.0693 61.2348 63.0319 175.5020 20 S 4.6752 7.8177 113.7556 58.1024 63.2704 173.8356 21 D 4.5710 8.0404 122.3216 54.0746 41.3517 176.2669 22 T 4.5752 8.1643 112.8568 61.4795 71.1711 175.9843 23 I 3.6731 9.0733 124.1630 64.3245 37.0402 178.2868 24 D 4.3164 8.2781 119.2781 57.6221 41.0380 178.0923 25 N 4.3489 8.0733 117.3186 56.3761 38.8889 176.9455 26 V 3.5563 8.0310 120.2640 66.0179 31.6212 178.2037 27 K 3.9832 8.4118 118.5315 59.3954 31.8439 179.2654 28 S 4.1275 8.0012 113.5445 61.3059 62.2063 176.4045 29 K 3.9900 8.1631 121.2828 59.6042 31.8022 179.4722 30 I 3.7389 7.9570 120.1255 64.2132 37.0299 178.2553 31 Q 4.3023 8.5707 120.8750 58.7556 28.5653 177.7316 32 D 4.3243 7.8316 118.7459 57.3015 41.4202 177.6008 33 K 4.0137 8.1930 119.6352 58.4752 32.2907 177.6792 34 E 4.4422 9.0498 119.5452 55.3009 32.1183 176.2918 35 G 4.2653 8.3657 105.1935 46.9250 0.0000 172.4889 36 I 4.5229 7.0232 118.0241 58.3291 40.7905 174.4170 37 P 4.2717 0.0000 0.0000 62.5552 31.6570 175.1599 38 P 4.2202 0.0000 0.0000 65.6056 31.5673 178.0555 39 D 4.3291 8.1103 116.0608 57.2309 41.4542 177.0578 40 Q 4.0441 8.0059 119.6408 58.0911 29.3195 174.8943 41 Q 4.6640 7.7230 117.5609 55.0325 29.7783 175.6595 42 R 4.5051 8.7798 124.1155 54.3301 32.6196 175.0796 43 L 4.7635 8.3856 125.0912 53.9690 43.5199 175.9641 44 I 4.8569 9.1368 125.1753 59.4206 40.1806 174.2584 45 F 4.9901 9.0487 129.9254 56.6026 41.5557 174.9652 46 A 3.4259 9.3732 127.4048 52.9616 15.8910 177.7418 47 G 3.8871 8.4278 105.5783 46.2022 0.0000 174.0452 48 K 4.3661 8.1080 120.9193 54.7137 32.8798 175.4106 49 Q 4.4677 8.5407 126.2571 55.8074 29.7323 174.9397 50 L 3.5560 8.4033 127.4312 53.4930 42.7131 176.3009 51 E 4.3033 9.2756 125.2003 55.7021 30.8811 177.2009 52 D 4.3607 9.4347 126.1361 57.6256 40.9927 178.7506 53 G 3.9007 8.0885 104.1759 46.3812 0.0000 173.0498 54 R 4.7800 7.7671 119.7887 54.7869 33.2769 175.8161 55 T 4.6856 9.3094 112.3283 60.2776 71.3093 175.4533 56 L 3.9878 8.4569 120.5408 57.8869 42.1539 180.2891 57 S 4.1041 8.1713 113.2204 61.1195 62.0645 175.8217 58 D 4.3303 7.7002 120.8327 56.4312 40.5360 177.1745 59 Y 4.5023 7.7661 113.9216 56.0666 40.0184 174.8131 60 N 4.0395 7.8526 118.1790 54.3922 37.2272 173.0239 61 I 4.0103 8.1425 118.6299 58.9553 38.8071 176.3867 62 Q 4.2561 8.3354 123.8929 54.9161 28.4396 175.9446 63 K 4.0896 8.2902 117.9856 57.5558 33.2811 176.2386 64 E 4.0942 8.7231 116.7437 57.8290 27.6127 174.9666 65 S 4.9800 7.4093 113.6357 57.6002 66.1752 173.6252 66 T 5.1940 8.6546 117.8650 62.3926 69.5917 174.0795 67 L 4.9099 8.9709 127.6264 53.5444 44.4087 175.5190 68 H 5.0192 9.0501 120.5592 54.5892 30.7656 174.0141 69 L 4.9267 9.2685 127.0935 53.7149 43.1692 174.6893 70 V 4.5701 8.5263 127.4531 61.3793 33.0682 175.0568 71 L 4.9668 8.4260 127.5472 53.9717 43.3109 176.7151 72 R 4.2073 8.8721 121.5556 55.4524 31.8898 176.8081 73 L 4.6029 8.1872 117.1817 55.3953 41.4574 178.6509 74 R 4.0447 7.8489 122.2906 58.7022 30.0695 177.1711 75 G 4.1837 7.2988 106.6312 44.5970 0.0000 173.7704 76 G 3.7245 7.8930 114.2704 45.7644 0.0000 173.9424 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 8.16 4.48 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 2 Q 8.26 4.87 0.00 1.85 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 3 I 9.32 4.49 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.80 0.00 0.00 4 F 9.22 5.03 0.00 3.06 3.04 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 0.00 0.00 0.00 0.00 5 V 8.63 4.36 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 0.66 0.00 0.00 0.94 0.00 0.00 6 K 9.39 4.67 0.00 1.81 1.67 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 7 T 8.52 4.58 4.25 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 1.22 0.00 0.00 8 L 8.51 4.04 0.00 1.66 1.75 0.93 0.94 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 9 T 7.78 3.99 4.25 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 1.22 0.00 0.00 10 G 8.13 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 0.00 0.00 0.00 11 K 8.00 4.23 0.00 1.94 1.74 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.47 7.81 12 T 8.33 4.74 4.28 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 1.28 0.00 0.00 13 I 8.50 4.57 1.88 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 1.34 0.84 0.96 0.00 0.00 14 T 8.50 4.49 4.18 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 0.79 0.00 0.00 15 L 8.87 4.45 0.00 1.57 1.45 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.95 0.00 1.94 1.82 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 2.22 2.32 0.00 17 V 8.87 4.60 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 0.76 0.00 0.00 0.94 0.00 0.00 18 E 9.61 4.26 0.00 2.21 1.88 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 2.31 2.30 0.00 19 S 8.65 4.05 0.00 3.84 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 20 S 7.82 4.68 0.00 3.83 3.85 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 0.00 0.00 0.00 21 D 8.04 4.57 0.00 2.91 2.56 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 0.00 0.00 0.00 0.00 22 T 8.16 4.58 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 1.22 0.00 0.00 23 I 9.07 3.67 2.08 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 1.76 1.00 0.89 0.00 0.00 24 D 8.28 4.32 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.35 0.00 2.89 2.90 0.00 0.00 7.32 7.74 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 26 V 8.03 3.56 2.25 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 1.04 0.00 0.00 1.00 0.00 0.00 27 K 8.41 3.98 0.00 1.99 1.84 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.70 7.81 28 S 8.00 4.13 0.00 3.90 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 29 K 8.16 3.99 0.00 1.98 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.76 7.81 30 I 7.96 3.74 2.06 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 1.39 0.77 0.95 0.00 0.00 31 Q 8.57 4.30 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 32 D 7.83 4.32 0.00 2.70 2.85 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 0.00 0.00 0.00 33 K 8.19 4.01 0.00 1.87 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 34 E 9.05 4.44 0.00 1.91 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 2.26 2.44 0.00 35 G 8.37 4.27 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 0.00 36 I 7.02 4.52 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 1.47 0.72 0.91 0.00 0.00 37 P 0.00 4.27 0.00 2.21 2.21 0.00 3.71 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 2.08 2.00 0.00 38 P 0.00 4.22 0.00 2.20 2.15 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.11 4.33 0.00 2.63 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 Q 8.01 4.04 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 41 Q 7.72 4.66 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 42 R 8.78 4.51 0.00 1.96 1.83 0.00 3.11 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 43 L 8.39 4.76 0.00 1.59 1.57 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.14 4.86 1.89 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 1.10 1.14 0.89 0.00 0.00 45 F 9.05 4.99 0.00 3.05 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 46 A 9.37 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.43 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 48 K 8.11 4.37 0.00 2.01 1.85 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.40 7.81 49 Q 8.54 4.47 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 L 8.40 3.56 0.00 1.37 1.25 0.81 0.23 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 51 E 9.28 4.30 0.00 2.24 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 2.36 2.49 0.00 52 D 9.43 4.36 0.00 2.80 2.72 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 0.00 0.00 0.00 53 G 8.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.77 4.78 0.00 2.00 1.83 0.00 2.90 0.00 0.00 2.79 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 55 T 9.31 4.69 4.36 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 1.27 0.00 0.00 56 L 8.46 3.99 0.00 1.81 1.70 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.10 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.33 0.00 2.68 2.35 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 59 Y 7.77 4.50 0.00 2.94 3.03 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 60 N 7.85 4.04 0.00 2.86 2.90 0.00 0.00 7.03 7.31 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 61 I 8.14 4.01 1.69 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 0.58 0.78 0.04 0.00 0.00 62 Q 8.34 4.26 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.12 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 63 K 8.29 4.09 0.00 1.92 1.95 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 64 E 8.72 4.09 0.00 2.19 2.29 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 2.29 2.26 0.00 65 S 7.41 4.98 0.00 3.95 4.15 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 0.00 0.00 0.00 0.00 66 T 8.65 5.19 4.29 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 1.20 0.00 0.00 67 L 8.97 4.91 0.00 1.68 1.65 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.02 0.00 3.09 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.27 4.93 0.00 1.74 1.58 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.53 4.57 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 0.86 0.00 0.00 0.94 0.00 0.00 71 L 8.43 4.97 0.00 1.57 1.57 0.92 1.03 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 72 R 8.87 4.21 0.00 1.73 1.88 0.00 3.21 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 73 L 8.19 4.60 0.00 1.63 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.85 4.04 0.00 1.74 2.07 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 75 G 7.30 4.18 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 0.00 0.00 0.00 76 G 7.89 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00