NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.1633 118.3260 55.2711 33.4024 173.8074 2 Q 4.7595 8.2713 118.8530 53.0083 30.9801 173.2182 3 I 4.7784 9.0180 116.6154 59.0727 42.3180 173.5484 4 F 5.3803 9.0857 120.6975 55.6585 42.7344 174.5224 5 V 4.8985 9.1878 122.5785 61.1692 34.2147 174.2896 6 K 5.1293 8.9835 127.7593 55.2841 34.4898 176.1023 7 T 4.8467 8.7205 114.4394 59.8849 71.1800 175.7701 8 L 4.0847 8.6389 121.7033 57.4055 41.7109 178.3290 9 T 4.2089 7.9043 106.6957 61.5362 69.2737 175.3434 10 G 3.9080 8.2444 110.7666 45.2386 0.0000 173.1969 11 K 4.4477 8.0737 121.0741 55.5599 33.9512 175.5142 12 T 5.1252 8.4508 122.1543 61.8759 71.1629 173.3326 13 I 4.6127 9.1032 127.1813 59.8507 40.1701 174.5673 14 T 4.9152 8.5344 122.3930 61.9450 70.3167 173.9393 15 L 4.8019 8.5020 125.1287 52.8085 46.1173 174.9100 16 E 4.8472 8.6278 122.5862 54.9942 30.7041 175.2867 17 V 4.7532 8.9943 119.4560 59.9944 36.4588 174.2395 18 E 4.7707 9.6280 120.7088 53.9227 32.4777 176.1699 19 P 4.1832 0.0000 0.0000 65.3794 31.5742 178.1378 20 S 4.4783 7.8681 110.2033 58.5815 63.8835 174.1169 21 D 4.4934 8.1812 123.4141 54.5369 41.3811 175.9848 22 T 4.6989 8.1423 113.1763 61.0227 71.5365 176.0874 23 I 3.6880 8.3181 123.4658 64.5775 37.1455 178.4386 24 E 3.9454 8.1866 119.6816 59.3968 29.4581 178.5307 25 N 4.3559 8.1202 116.6039 56.1677 38.5827 177.5675 26 V 3.5648 7.8659 119.7152 65.9548 31.5531 178.1953 27 K 3.9446 8.4552 118.4132 59.4613 31.8778 179.1423 28 A 3.9810 8.0446 120.9883 55.0930 18.3788 179.8734 29 K 3.9600 8.0247 117.0777 59.6186 32.0608 179.6863 30 I 3.7312 7.7516 120.2168 64.2455 36.9025 178.1871 31 Q 4.0283 8.3361 120.7025 59.2892 28.6664 177.8629 32 D 4.3049 7.8944 117.8188 57.2965 41.3038 178.0408 33 K 4.1782 7.7528 117.5591 58.5067 32.3973 178.2245 34 E 4.6022 8.8714 116.2534 55.2543 30.9606 177.2650 35 G 3.8539 8.1969 106.8745 45.4579 0.0000 173.2270 36 I 4.0945 7.4412 120.5237 59.1995 37.6233 174.1263 37 P 4.3444 0.0000 0.0000 61.9589 32.0177 175.6500 38 P 4.2364 0.0000 0.0000 65.9387 31.3931 178.1236 39 D 4.4854 8.0667 115.9950 56.4653 41.1263 176.5849 40 Q 4.5269 8.3772 117.5882 55.7619 29.9633 174.9443 41 Q 5.0975 7.7398 118.3695 54.1404 31.2510 175.3280 42 R 4.6326 8.9456 121.7590 54.4077 33.7514 174.2462 43 L 5.1719 8.5337 123.6512 53.1000 44.2495 175.4221 44 I 5.0920 8.8368 124.2627 59.4778 40.9531 174.4155 45 F 4.9584 8.9773 127.6614 56.9678 42.8120 174.3851 46 A 3.4821 8.9942 128.8430 53.0753 15.9202 177.7188 47 G 3.9216 8.3546 106.3812 46.5953 0.0000 174.1670 48 K 4.5855 7.9333 119.8935 54.2125 34.4163 174.9958 49 Q 4.5515 8.5066 124.4958 55.8745 29.7175 175.0523 50 L 4.1467 8.6568 127.4030 54.1142 42.7164 176.3850 51 E 4.5616 8.5810 121.9521 55.3873 30.9189 177.5557 52 D 4.3707 8.9532 122.0837 56.7549 41.1462 177.5549 53 G 3.9340 8.0536 105.9104 45.3670 0.0000 173.2422 54 R 4.6178 7.7249 119.6755 54.4972 32.8137 175.0629 55 T 4.9862 8.1941 109.2812 59.7537 71.4126 175.7596 56 L 4.0461 8.4264 122.1063 58.0744 41.4855 180.1586 57 S 4.1638 8.1378 114.0775 61.5232 62.5718 176.2745 58 D 4.2796 7.7304 121.8563 56.5783 40.4495 177.2197 59 Y 4.5191 7.5199 114.8990 56.4186 38.4664 175.0604 60 N 4.1672 8.0496 115.9001 54.1382 36.9542 174.6590 61 I 3.6815 7.7124 117.9142 60.8994 38.0532 176.0516 62 Q 4.6182 8.2406 124.0565 53.0701 31.1954 175.0560 63 K 3.9390 8.3823 117.9906 58.9441 32.5147 176.3575 64 E 4.0619 8.9584 119.6659 57.5894 27.6095 174.8406 65 S 4.6517 7.8473 114.5180 58.8694 64.3686 173.2847 66 T 5.1828 8.7486 119.2308 62.0748 70.3453 173.8209 67 L 4.9882 9.4967 127.1563 53.5419 45.0212 174.9559 68 H 5.1244 9.1446 118.2779 54.0289 31.4679 173.0626 69 L 5.0678 8.6601 125.2056 53.3795 43.6920 175.6137 70 V 4.5614 8.9623 125.7850 61.0715 34.8070 173.8934 71 L 5.1494 8.5087 125.6883 52.9348 44.0994 176.3864 72 R 4.2509 8.3689 122.2892 56.4738 29.8422 175.1929 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 4.47 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 2 Q 8.27 4.76 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 3 I 9.02 4.78 1.77 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 1.20 0.66 0.80 0.00 0.00 4 F 9.09 5.38 0.00 2.99 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 5 V 9.19 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.13 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.72 4.85 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 1.27 0.00 0.00 8 L 8.64 4.08 0.00 1.66 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.21 4.24 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 1.22 0.00 0.00 10 G 8.24 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 K 8.07 4.45 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.45 5.13 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 1.27 0.00 0.00 13 I 9.10 4.61 1.90 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 1.25 0.83 0.92 0.00 0.00 14 T 8.53 4.92 4.26 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 1.03 0.00 0.00 15 L 8.50 4.80 0.00 1.45 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.91 1.80 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 2.17 2.27 0.00 17 V 8.99 4.75 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.63 4.77 0.00 1.78 1.78 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.87 4.48 0.00 3.96 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 21 D 8.18 4.49 0.00 2.83 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 22 T 8.14 4.70 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 1.21 0.00 0.00 23 I 8.32 3.69 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 0.90 0.00 0.00 24 E 8.19 3.95 0.00 2.15 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 0.00 2.38 2.41 0.00 25 N 8.12 4.36 0.00 3.06 2.84 0.00 0.00 6.63 7.84 0.00 0.00 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 7.87 3.56 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.46 3.94 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 A 8.04 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.96 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.75 3.73 2.04 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 1.40 0.93 0.94 0.00 0.00 31 Q 8.34 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 7.89 4.30 0.00 2.72 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 7.75 4.18 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 E 8.87 4.60 0.00 1.97 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 2.25 2.43 0.00 35 G 8.20 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 0.00 0.00 0.00 36 I 7.44 4.09 1.87 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 1.42 0.76 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.79 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 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.07 4.49 0.00 2.67 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 40 Q 8.38 4.53 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 7.74 5.10 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 R 8.95 4.63 0.00 1.71 1.79 0.00 3.09 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.17 0.00 1.55 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.09 1.90 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 1.10 0.74 0.89 0.00 0.00 45 F 8.98 4.96 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 3.48 0.82 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 0.00 0.00 47 G 8.35 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 0.00 0.00 0.00 48 K 7.93 4.59 0.00 1.85 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 Q 8.51 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.15 0.00 1.38 1.25 0.73 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 4.56 0.00 2.07 1.91 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 2.34 2.38 0.00 52 D 8.95 4.37 0.00 2.66 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 53 G 8.05 3.93 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 0.00 0.00 0.00 54 R 7.72 4.62 0.00 2.02 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 T 8.19 4.99 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 1.21 0.00 0.00 56 L 8.43 4.05 0.00 1.86 1.70 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.16 0.00 4.04 4.17 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 0.00 0.00 0.00 58 D 7.73 4.28 0.00 2.57 2.40 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 59 Y 7.52 4.52 0.00 3.04 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 60 N 8.05 4.17 0.00 2.93 2.92 0.00 0.00 6.98 7.06 0.00 0.00 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 7.71 3.68 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.25 0.59 0.00 0.00 62 Q 8.24 4.62 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.38 3.94 0.00 1.86 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 8.96 4.06 0.00 2.25 2.33 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 2.47 2.36 0.00 65 S 7.85 4.65 0.00 3.80 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 66 T 8.75 5.18 4.32 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 1.23 0.00 0.00 67 L 9.50 4.99 0.00 1.61 1.61 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.12 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.07 0.00 1.63 1.67 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.96 4.56 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.15 0.00 1.55 1.54 0.93 0.83 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 72 R 8.37 4.25 0.00 1.80 1.75 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00