NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0673 8.0549 120.3931 62.3776 32.6601 175.2391 12 Q 4.0126 8.5432 126.4414 55.1601 29.5177 175.4862 13 R 4.1219 9.2661 121.5300 55.3899 33.0534 175.7491 14 P 4.1728 0.0000 0.0000 66.2375 31.2629 178.9341 15 L 4.0094 7.8083 115.0511 57.0738 41.9151 178.7895 16 D 4.6088 8.0641 118.8141 57.1067 41.0515 178.2509 17 A 4.1910 8.4270 121.6979 55.1081 18.2804 179.3048 18 L 3.8775 8.2288 119.0188 58.0754 41.9229 179.4005 19 G 3.9404 8.3548 105.5252 47.4728 0.0000 174.7858 20 N 4.6910 8.3450 117.2910 54.7888 39.0784 176.2335 21 S 4.6264 7.9843 116.3833 57.1574 63.5200 173.8391 22 L 4.3512 7.2051 122.4982 56.2675 41.8130 177.0338 23 N 4.3957 9.3769 118.9378 53.7908 37.0029 174.1018 24 S 5.0561 7.5852 114.3152 55.7036 66.4855 171.8697 25 P 5.0232 0.0000 0.0000 63.3076 32.7678 175.5377 26 V 5.0669 9.1013 114.7634 60.0900 37.1524 173.8886 27 I 4.9512 9.0019 122.5354 59.7125 40.2640 174.9862 28 I 4.6915 9.0817 128.2728 59.3934 39.6032 174.5047 29 K 4.3927 8.1328 130.0184 55.3819 33.1306 175.9877 30 L 5.0795 8.3565 127.0616 52.4757 44.9726 176.1877 31 K 3.9515 8.3745 120.6380 58.1588 32.2991 177.9859 32 G 3.8744 8.6726 111.0102 44.8536 0.0000 172.8540 33 D 4.3978 7.4884 116.8741 55.2479 38.9976 174.1957 34 R 4.4864 7.6436 117.3893 55.8068 32.4330 174.9176 35 E 5.2103 8.5992 119.5729 55.1710 33.5835 173.7828 36 F 5.2704 9.6087 124.4215 55.8349 43.0813 174.4535 37 R 5.0757 9.0393 119.2616 54.2386 34.7159 175.1235 38 G 4.3285 7.9610 107.8412 46.6100 0.0000 171.0734 39 V 4.6792 7.9152 120.5697 61.1573 32.9989 175.2301 40 L 4.2508 8.7734 131.2417 55.8037 42.2014 177.1819 41 K 4.6791 8.8801 126.8109 57.6509 33.8385 176.5550 42 S 4.7638 7.8528 112.4720 58.2840 65.6016 175.0731 43 F 5.9667 8.3083 114.7532 57.0176 41.0186 171.8825 44 D 4.8569 8.5322 117.0655 51.5705 42.2731 175.8844 45 L 4.1334 8.4254 117.6396 57.6562 41.4390 177.9212 46 H 4.5226 8.3077 114.5946 55.9435 29.2395 175.5061 47 M 3.1933 8.4126 118.9543 56.2767 31.1703 175.5614 48 N 4.9572 8.4914 114.1921 52.8993 39.9715 174.2740 49 L 5.4513 8.8939 121.1784 53.0422 46.6320 175.4380 50 V 4.8606 8.9349 121.5939 61.1629 34.3826 174.3726 51 L 5.3511 8.9886 126.9254 53.1400 45.4795 175.4180 52 N 5.0774 9.0786 119.5277 51.3882 41.7727 174.1638 53 D 4.3962 8.4936 117.2905 55.3627 38.8439 174.0637 54 A 4.7869 8.1095 119.9320 51.8799 20.7215 177.8270 55 E 5.0076 9.1531 119.0785 54.6321 34.3009 174.0980 56 E 3.9729 8.8405 125.4006 54.3530 31.6715 174.5478 57 L 5.0348 8.8652 126.7696 52.8016 45.5742 175.0891 58 E 4.6209 8.0355 121.1887 55.5440 31.8314 176.8512 59 D 4.9443 9.2424 127.9994 53.7386 41.0317 175.0988 60 G 4.0788 8.5686 108.0312 43.1132 0.0000 171.5935 61 E 3.5567 8.3271 125.6503 57.0220 28.1726 177.3340 62 V 4.0642 7.9881 124.7068 63.4022 32.2506 172.9076 63 T 4.1561 8.5387 124.7889 65.5446 68.5383 174.7438 64 R 4.4358 7.3439 114.0935 55.4002 32.3009 173.2705 65 R 4.5117 8.6914 120.3906 56.0355 30.3504 176.2294 66 L 4.4455 9.1525 123.8353 53.0234 43.5349 179.0686 67 G 3.9041 8.2881 107.2327 46.5520 0.0000 173.8012 68 T 4.7530 8.4228 121.2264 63.4410 69.2219 174.2915 69 V 4.5458 9.1376 118.4678 59.5993 36.6556 173.8688 70 L 4.9322 8.4974 125.4511 53.5884 43.6904 175.2736 71 I 4.2968 8.5235 127.9941 59.2194 39.7403 175.3474 72 R 4.3843 8.4942 127.7485 55.7564 30.8546 177.3180 73 G 3.8608 9.8616 114.9903 47.6275 0.0000 174.5906 74 D 4.6531 7.9829 116.0288 54.2481 39.6881 176.5082 75 N 4.5579 8.0186 117.8309 54.7856 39.1556 175.1632 76 I 4.3282 7.4937 120.0089 61.2234 37.8735 175.4308 77 V 4.2047 8.7636 126.1822 64.6175 32.1119 175.1825 78 Y 5.0216 7.0711 116.0845 55.8923 41.6627 172.8273 79 I 5.3043 8.4870 119.9835 59.7519 40.8450 174.9328 80 S 4.8206 9.0580 119.8759 56.6787 67.1924 173.0979 81 R 4.4625 8.6234 119.0440 55.9935 30.7853 176.9874 82 G 4.0791 8.5129 110.4070 45.2173 0.0000 172.7111 83 K 4.7215 8.2824 118.6468 54.1043 34.6866 176.4018 84 L 4.2731 8.1127 119.9944 53.7736 42.4143 177.0614 85 A 4.0282 8.3702 122.7371 52.4343 18.8406 177.7431 86 A 4.1731 8.4609 122.5454 52.5127 18.4739 177.6804 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 11 V 8.05 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 0.99 0.00 0.00 0.93 0.00 0.00 12 Q 8.54 4.01 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 R 9.27 4.12 0.00 1.83 1.86 0.00 3.34 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.17 0.00 2.14 2.11 0.00 3.60 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 2.12 2.21 0.00 15 L 7.81 4.01 0.00 1.68 1.87 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.61 0.00 2.90 2.74 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 0.00 0.00 0.00 0.00 17 A 8.43 4.19 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 18 L 8.23 3.88 0.00 1.58 1.25 0.06 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.35 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 20 N 8.35 4.69 0.00 2.80 2.90 0.00 0.00 6.93 7.33 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 21 S 7.98 4.63 0.00 3.97 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 22 L 7.21 4.35 0.00 1.69 1.66 0.93 1.58 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 23 N 9.38 4.40 0.00 2.86 2.99 0.00 0.00 6.84 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.59 5.06 0.00 4.01 3.75 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 0.00 0.00 0.00 25 P 0.00 5.02 0.00 2.13 2.19 0.00 3.66 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 2.09 2.01 0.00 26 V 9.10 5.07 2.18 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 0.86 0.00 0.00 1.01 0.00 0.00 27 I 9.00 4.95 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 1.02 0.00 0.00 28 I 9.08 4.69 1.92 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 1.15 0.91 0.84 0.00 0.00 29 K 8.13 4.39 0.00 0.93 0.74 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.98 1.18 7.81 30 L 8.36 5.08 0.00 1.67 1.65 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.37 3.95 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 32 G 8.67 3.87 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 0.00 33 D 7.49 4.40 0.00 2.81 2.78 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 34 R 7.64 4.49 0.00 1.81 1.89 0.00 3.34 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 35 E 8.60 5.21 0.00 2.00 1.67 0.00 0.00 0.00 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 2.27 0.00 36 F 9.61 5.27 0.00 2.95 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 37 R 9.04 5.08 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 G 7.96 4.33 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 0.00 0.00 0.00 39 V 7.92 4.68 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 1.03 0.00 0.00 0.95 0.00 0.00 40 L 8.77 4.25 0.00 1.86 1.74 1.05 0.34 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 41 K 8.88 4.68 0.00 1.67 1.85 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.64 7.81 42 S 7.85 4.76 0.00 3.74 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 43 F 8.31 5.97 0.00 3.05 2.97 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 44 D 8.53 4.86 0.00 2.84 2.78 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 45 L 8.43 4.13 0.00 1.56 1.74 0.92 1.02 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 46 H 8.31 4.52 0.00 3.35 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.41 3.19 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 48 N 8.49 4.96 0.00 3.03 2.73 0.00 0.00 6.80 6.35 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 49 L 8.89 5.45 0.00 1.52 1.51 0.87 0.61 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 50 V 8.93 4.86 2.10 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 1.06 0.00 0.00 0.93 0.00 0.00 51 L 8.99 5.35 0.00 1.60 1.53 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.08 5.08 0.00 2.64 2.72 0.00 0.00 7.11 8.32 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 53 D 8.49 4.40 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.79 1.44 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 0.00 0.00 0.00 55 E 9.15 5.01 0.00 1.83 1.73 0.00 0.00 0.00 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 2.24 0.00 56 E 8.84 3.97 0.00 1.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 57 L 8.87 5.03 0.00 1.51 1.60 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.04 4.62 0.00 2.03 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 59 D 9.24 4.94 0.00 2.86 2.81 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 60 G 8.57 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.33 3.56 0.00 2.05 1.69 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 2.21 2.25 0.00 62 V 7.99 4.06 2.05 0.00 0.00 0.00 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 0.90 0.00 0.00 63 T 8.54 4.16 4.22 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 0.00 0.00 0.00 1.15 0.00 0.00 64 R 7.34 4.44 0.00 1.80 1.93 0.00 2.95 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 65 R 8.69 4.51 0.00 1.69 1.92 0.00 3.31 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 66 L 9.15 4.45 0.00 1.60 1.78 1.22 0.86 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 67 G 8.29 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 68 T 8.42 4.75 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 1.25 0.00 0.00 69 V 9.14 4.55 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 0.81 0.00 0.00 0.89 0.00 0.00 70 L 8.50 4.93 0.00 1.61 1.52 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.52 4.30 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.24 0.71 0.00 0.00 72 R 8.49 4.38 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.59 0.00 73 G 9.86 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 0.00 0.00 0.00 74 D 7.98 4.65 0.00 2.79 2.78 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 75 N 8.02 4.56 0.00 2.91 2.86 0.00 0.00 6.99 6.76 0.00 0.00 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 I 7.49 4.33 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 0.86 0.00 0.00 77 V 8.76 4.20 2.00 0.00 0.00 0.00 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 0.93 0.00 0.00 78 Y 7.07 5.02 0.00 3.04 3.02 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 79 I 8.49 5.30 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.90 0.00 0.00 80 S 9.06 4.82 0.00 3.87 3.99 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 0.00 0.00 0.00 81 R 8.62 4.46 0.00 1.73 1.91 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 G 8.51 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.28 4.72 0.00 1.74 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 84 L 8.11 4.27 0.00 1.64 1.61 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.37 4.03 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 86 A 8.46 4.17 1.24 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 0.00 0.00