NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3645 0.0000 0.0000 62.4253 32.8931 175.8562 4 R 4.3317 7.9990 121.7835 53.6872 31.6609 174.2652 5 P 4.0110 0.0000 0.0000 66.5791 32.3102 178.1658 6 L 3.8977 7.8947 117.0196 58.2231 41.4995 179.2910 7 D 4.4641 7.9533 117.3102 56.4091 41.0808 178.1120 8 V 3.8757 8.0010 119.2220 64.7648 31.6179 178.0320 9 L 3.9181 7.5181 118.5848 57.7514 41.4115 178.4833 10 N 4.5166 7.6446 116.6202 56.7919 38.6115 175.9706 11 R 4.3226 7.3487 115.5913 57.2648 30.0999 176.5227 12 S 4.7506 8.3122 113.4095 58.7995 63.8475 173.8900 13 L 4.1837 7.6045 120.8836 55.9322 41.7311 177.2254 14 K 3.8967 9.0775 120.3844 56.9882 30.4154 175.0914 15 S 5.0083 7.5247 113.6559 55.5298 66.8315 171.2052 16 P 5.0766 0.0000 0.0000 62.8151 33.0022 175.4588 17 V 5.1479 8.9267 114.3762 60.4025 37.1364 173.5027 18 I 5.0179 9.1310 122.1513 59.6495 40.6008 175.1657 19 V 4.7336 8.5898 125.4458 61.0475 34.6416 174.0417 20 R 4.7594 8.1057 127.6270 54.4781 32.7018 174.5756 21 L 5.0212 8.3436 124.0379 52.4956 45.8845 176.5722 22 K 4.5716 8.7900 120.6599 56.0603 29.7148 178.0527 23 G 4.8633 9.2741 125.7172 45.9609 0.0000 171.1775 24 G 3.9743 7.8717 109.5014 44.9029 0.0000 174.2354 25 R 4.2461 7.6645 119.2936 56.1385 31.4672 175.4081 26 E 5.3104 8.5177 121.4918 54.7021 33.7930 174.9400 27 F 5.2288 9.1750 120.8309 55.8689 42.9965 174.3607 28 R 5.0398 9.1912 119.6784 53.9991 33.8706 174.6882 29 G 4.4787 7.8094 111.4703 46.6385 0.0000 170.7978 30 T 4.8633 7.6959 116.6471 62.4160 69.8886 174.6226 31 L 4.2170 8.9562 129.8798 55.5964 42.3856 176.3727 32 D 4.6593 9.3096 127.2944 55.7082 42.9035 175.6834 33 G 4.2754 7.4126 102.9164 45.8658 0.0000 170.9203 34 Y 5.5511 7.9897 116.6379 57.9998 40.3981 172.2985 35 D 4.5901 8.1065 117.2490 52.4020 42.0697 175.0110 36 I 3.6326 8.6379 118.3519 65.1369 37.4474 176.9351 37 H 4.4468 8.1609 114.3264 56.2039 28.7210 175.2478 38 M 3.0148 8.1284 118.2393 56.4822 31.0021 176.0097 39 N 4.8412 8.8393 114.6831 52.7844 39.9562 174.5955 40 L 5.2636 8.6729 122.1863 53.0207 45.9118 175.6185 41 V 4.7793 8.1359 119.1301 61.4311 34.6730 174.0168 42 L 5.3835 8.8629 127.2899 52.9489 45.6192 175.5125 43 L 5.0495 8.4953 120.9283 53.2665 45.0828 175.9417 44 D 4.5022 8.6684 120.3049 55.5037 38.8285 173.0718 45 A 5.1442 7.9752 121.0191 50.5012 22.8621 177.0352 46 E 4.7178 8.9288 118.5971 54.3638 33.6634 174.8762 47 E 3.8117 8.3018 123.8740 55.0837 30.6854 174.7283 48 I 4.9446 8.9118 128.1662 59.4570 40.8415 174.8965 49 Q 4.3024 9.0285 126.5314 55.3196 30.8436 174.8313 50 N 3.7403 9.6097 121.6060 54.5385 35.3224 175.0994 51 G 4.0224 7.9925 108.1800 45.4059 0.0000 171.3920 52 E 4.6134 8.0280 119.8229 54.3883 31.5043 175.7897 53 V 4.0958 8.0345 121.4154 62.6797 32.5459 175.6187 54 V 4.2964 8.2101 123.4470 64.0936 33.9699 175.2655 55 R 4.3685 7.1013 118.8715 56.0729 34.4400 174.3346 56 K 4.5377 8.2640 120.7360 57.4195 36.5939 175.4966 57 V 4.0594 8.2796 111.2159 60.6642 36.1960 174.0299 58 G 4.0896 8.7714 114.0926 49.6202 0.0000 172.9186 59 S 5.2833 7.5558 110.2084 57.9464 65.2237 176.3457 60 V 4.5548 8.3326 113.6715 59.8218 36.4605 174.5947 61 V 4.6823 8.3383 122.6337 61.4478 33.4668 174.5458 62 I 4.2989 8.3979 130.0127 59.4780 39.2161 175.9571 63 R 4.4820 8.5280 126.5940 55.8287 30.8844 177.7507 64 G 3.6870 9.4172 112.4506 48.0520 0.0000 174.9465 65 D 4.5815 8.1926 118.3770 57.0926 41.3232 177.4713 66 T 4.1727 7.8233 114.9266 64.9778 69.0360 175.1951 67 V 4.1394 7.8596 121.3968 62.8040 32.2722 174.9233 68 V 4.4140 8.0745 125.0970 64.1369 33.2449 175.3005 69 F 5.0050 7.3335 112.6041 56.0765 41.1496 172.8178 70 V 5.0475 8.5865 118.7185 61.4218 34.2788 174.2439 71 S 4.9438 9.4895 122.9292 55.4505 65.5694 171.2936 72 P 4.7193 0.0000 0.0000 62.9622 31.9893 175.5086 73 A 4.7084 8.4460 124.0853 49.5298 21.1996 174.3293 74 P 4.3885 0.0000 0.0000 63.5126 31.7645 176.0800 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 3 P 0.00 4.36 0.00 2.04 2.06 0.00 3.62 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 1.91 2.11 0.00 4 R 8.00 4.33 0.00 2.04 1.81 0.00 3.16 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 5 P 0.00 4.01 0.00 2.12 2.03 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.89 3.90 0.00 1.67 1.73 0.96 1.00 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 7 D 7.95 4.46 0.00 2.82 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 8 V 8.00 3.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 9 L 7.52 3.92 0.00 1.29 1.08 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.64 4.52 0.00 2.96 3.02 0.00 0.00 6.93 7.11 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 11 R 7.35 4.32 0.00 2.03 2.09 0.00 3.25 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 S 8.31 4.75 0.00 3.96 3.80 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 0.00 0.00 0.00 13 L 7.60 4.18 0.00 1.66 1.66 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.08 3.90 0.00 1.90 1.93 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 15 S 7.52 5.01 0.00 3.87 3.96 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 16 P 0.00 5.08 0.00 2.16 2.23 0.00 3.68 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 2.14 2.01 0.00 17 V 8.93 5.15 2.12 0.00 0.00 0.00 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 1.02 0.00 0.00 18 I 9.13 5.02 2.09 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 1.16 0.81 0.98 0.00 0.00 19 V 8.59 4.73 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 0.92 0.00 0.00 0.93 0.00 0.00 20 R 8.11 4.76 0.00 0.75 0.66 0.00 3.05 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 21 L 8.34 5.02 0.00 1.61 1.50 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.79 4.57 0.00 1.64 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 23 G 9.27 4.86 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 24 G 7.87 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 25 R 7.66 4.25 0.00 1.80 1.91 0.00 3.21 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 26 E 8.52 5.31 0.00 1.72 1.85 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 2.14 2.33 0.00 27 F 9.17 5.23 0.00 2.90 2.95 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 28 R 9.19 5.04 0.00 1.87 1.70 0.00 3.24 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 1.54 1.60 0.00 29 G 7.81 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.86 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 1.28 0.00 0.00 31 L 8.96 4.22 0.00 1.80 1.76 1.02 1.10 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 32 D 9.31 4.66 0.00 2.67 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 33 G 7.41 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 0.00 0.00 0.00 0.00 34 Y 7.99 5.55 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 35 D 8.11 4.59 0.00 2.78 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 36 I 8.64 3.63 1.83 0.00 0.00 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 1.36 0.62 0.64 0.00 0.00 37 H 8.16 4.45 0.00 3.26 3.31 0.00 5.75 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 38 M 8.13 3.01 0.00 2.19 2.21 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 2.47 2.50 0.00 39 N 8.84 4.84 0.00 2.79 2.72 0.00 0.00 6.88 6.31 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 40 L 8.67 5.26 0.00 1.53 1.54 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.14 4.78 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 1.00 0.00 0.00 0.92 0.00 0.00 42 L 8.86 5.38 0.00 1.63 1.54 0.93 0.26 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 43 L 8.50 5.05 0.00 1.60 1.54 0.96 1.26 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 44 D 8.67 4.50 0.00 2.71 2.67 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 0.00 0.00 0.00 45 A 7.98 5.14 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 0.00 0.00 0.00 0.00 0.00 46 E 8.93 4.72 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 2.18 2.20 0.00 47 E 8.30 3.81 0.00 1.44 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 48 I 8.91 4.94 1.82 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 1.04 0.74 0.91 0.00 0.00 49 Q 9.03 4.30 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.18 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 50 N 9.61 3.74 0.00 2.83 2.98 0.00 0.00 7.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.99 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 52 E 8.03 4.61 0.00 2.02 1.83 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 2.23 2.35 0.00 53 V 8.03 4.10 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 0.71 0.00 0.00 0.90 0.00 0.00 54 V 8.21 4.30 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 0.86 0.00 0.00 0.89 0.00 0.00 55 R 7.10 4.37 0.00 1.59 1.65 0.00 3.28 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 56 K 8.26 4.54 0.00 1.56 1.65 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.36 7.81 57 V 8.28 4.06 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 0.79 0.00 0.00 1.10 0.00 0.00 58 G 8.77 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 0.00 0.00 0.00 59 S 7.56 5.28 0.00 3.90 3.80 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 0.00 0.00 0.00 60 V 8.33 4.55 1.95 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 0.88 0.00 0.00 0.82 0.00 0.00 61 V 8.34 4.68 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 0.79 0.00 0.00 0.91 0.00 0.00 62 I 8.40 4.30 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.56 0.75 0.00 0.00 63 R 8.53 4.48 0.00 1.80 1.83 0.00 3.27 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 64 G 9.42 3.69 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 0.00 0.00 0.00 65 D 8.19 4.58 0.00 2.63 2.73 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 0.00 0.00 0.00 66 T 7.82 4.17 4.46 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 0.00 0.00 1.17 0.00 0.00 67 V 7.86 4.14 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 0.72 0.00 0.00 0.88 0.00 0.00 68 V 8.07 4.41 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 1.02 0.00 0.00 0.91 0.00 0.00 69 F 7.33 5.01 0.00 3.05 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 70 V 8.59 5.05 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 0.83 0.00 0.00 0.94 0.00 0.00 71 S 9.49 4.94 0.00 3.95 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 72 P 0.00 4.72 0.00 2.13 2.05 0.00 3.77 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 1.99 1.98 0.00 73 A 8.45 4.71 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 74 P 0.00 4.39 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00