NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 L 4.2445 8.1849 122.4888 54.9837 43.0757 176.1106 0 D 4.5951 8.5353 125.7765 53.6777 42.5598 174.2360 1 M 3.2131 8.3634 118.6134 56.6446 30.2699 177.7595 2 S 4.4699 8.1353 113.3575 59.1984 64.5539 173.5430 3 L 4.6814 8.1741 122.3890 52.9961 43.8554 175.0388 4 N 5.3282 9.4416 124.3955 51.9128 40.1612 173.5738 5 I 4.9147 8.5925 127.8685 59.7771 40.3645 174.7152 6 H 5.2115 8.9889 124.3977 55.2445 30.5104 174.2282 7 I 5.1101 9.1469 124.0826 59.6182 39.7070 174.8009 8 K 5.1320 8.9446 126.0367 54.8763 36.1457 175.6456 9 S 4.6987 9.1598 117.4746 57.3007 66.0692 174.2667 10 G 3.8044 9.0640 117.4399 47.2806 0.0000 176.3580 11 Q 4.0752 8.8214 123.8682 57.1231 29.1397 175.4070 12 D 4.4066 7.8396 118.5854 52.6553 42.2632 175.1678 13 K 4.7878 7.2171 121.9547 54.6368 35.4991 174.9392 14 W 5.2309 9.4315 125.7791 55.0072 33.9386 173.6800 15 E 5.3523 8.9671 119.0247 55.0048 32.4824 175.8484 16 V 4.7063 8.9041 115.4727 59.7000 36.6049 174.3985 17 N 5.4370 8.5994 117.6275 52.0282 42.0324 174.2139 18 V 4.6365 8.7268 116.1000 59.2535 36.8668 174.9414 19 A 4.4217 8.2861 123.7379 50.9410 19.4354 177.2007 20 P 4.0768 0.0000 0.0000 65.6867 31.5567 178.2335 21 E 4.2427 7.9706 114.7108 57.0769 30.0302 177.1298 22 S 4.3405 7.9064 117.0599 58.7646 63.5388 174.3615 23 T 4.6466 8.8429 115.1998 61.3205 70.7373 176.1233 24 V 3.7778 8.6435 121.5497 65.9938 31.4720 178.0933 25 L 3.9586 8.1339 120.2539 58.3494 41.9964 179.0421 26 Q 4.0429 7.9906 117.6756 58.7697 28.5293 178.4626 27 F 4.4434 8.6178 122.0400 61.4979 39.3982 177.3733 28 K 3.9270 8.3321 119.6952 58.8317 31.7632 179.1639 29 E 3.9168 8.3652 118.7041 59.3380 29.5068 179.2485 30 A 4.0065 8.1114 120.7526 55.1421 18.4548 179.7596 31 I 3.4867 7.8121 118.4270 64.4833 37.0696 178.0203 32 N 4.2218 8.3397 118.2366 56.8037 38.4595 177.0230 33 K 3.9077 7.8430 118.6320 59.2047 32.1466 178.8734 34 A 4.2312 7.5737 120.4009 54.0023 18.5242 177.6540 35 N 4.4705 7.5556 110.3426 51.2387 38.4587 175.5036 36 G 3.7846 8.2355 107.1933 45.7509 0.0000 173.7894 37 I 3.8016 7.7586 121.6584 59.8375 37.5922 174.3549 38 P 4.2144 0.0000 0.0000 62.6443 32.2217 177.1049 39 V 3.4248 8.7277 122.2320 66.1944 31.3130 178.0177 40 A 4.1224 7.8415 119.7419 54.3409 18.3915 177.6877 41 N 4.5834 7.7333 112.0037 54.2346 38.9697 175.5680 42 Q 4.1104 7.8429 119.0338 55.3033 29.5529 174.5479 43 R 4.8087 8.4073 122.9655 54.4253 32.8565 174.0643 44 L 5.2071 8.4815 125.5830 52.9855 44.9226 175.2136 45 I 5.0292 8.8032 123.9369 59.6850 40.5893 173.9832 46 Y 4.7997 8.6694 127.3802 56.4084 42.3413 174.9971 47 S 3.4990 9.1306 120.1437 59.2433 60.9205 172.9774 48 G 3.9792 8.4605 104.7271 44.9803 0.0000 174.0568 49 K 4.6951 7.7393 118.9928 54.0655 34.9829 175.3787 50 I 4.3793 8.1578 123.0047 61.2938 37.7264 175.7598 51 L 3.8718 8.6193 127.9043 54.3804 42.4634 176.4755 52 K 4.5605 9.1382 123.2615 54.7901 34.0422 177.1804 53 D 4.4252 9.0689 124.5832 57.8429 40.9165 178.6544 54 D 4.5278 8.0059 116.0764 56.1056 41.4834 176.8668 55 Q 4.2670 7.9910 118.9635 55.4711 29.6096 175.6489 56 T 4.7376 8.0136 110.0404 60.8610 70.6178 175.9836 57 V 3.5669 8.5923 122.9599 66.2721 31.4750 178.3781 58 E 4.0145 8.2791 117.2887 59.1335 29.0944 179.1050 59 S 4.0528 7.5505 114.1239 60.6728 61.9139 174.9572 60 Y 4.3845 7.6626 118.5769 57.2767 37.6368 175.4606 61 H 4.1320 7.9130 115.8733 56.7614 26.8712 174.7492 62 I 3.6602 7.0105 118.4116 61.0658 37.3967 175.6335 63 Q 4.5411 7.7863 122.8669 53.0815 32.1332 174.1040 64 D 4.4414 8.2953 118.5794 56.0833 41.3348 176.5197 65 G 3.9911 9.1114 115.3136 45.5427 0.0000 173.0539 66 H 4.8128 8.0513 117.2525 55.7800 30.3146 174.3059 67 S 5.4805 8.7687 114.8709 56.9696 66.1779 174.0203 68 V 4.7105 9.0172 122.2503 61.4802 35.0817 173.6729 69 H 5.3289 9.1934 127.5545 55.0611 31.1440 173.3631 70 L 4.8451 8.7263 128.9898 54.3156 42.8736 175.9215 71 V 4.7350 8.9129 118.9414 59.4256 36.5141 174.4368 72 K 4.7012 8.3744 120.1570 54.6980 34.9015 176.3165 73 S 4.2706 8.3614 115.8126 57.8943 63.8056 173.6871 74 Q 4.0726 8.4212 124.1442 55.2858 29.4757 174.1980 75 P 4.4305 0.0000 0.0000 62.9410 31.3135 176.1203 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 L 8.18 4.24 0.00 1.59 1.64 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0 D 8.54 4.60 0.00 2.78 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 1 M 8.36 3.21 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 2 S 8.14 4.47 0.00 3.85 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 3 L 8.17 4.68 0.00 1.58 1.50 0.78 0.66 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 4 N 9.44 5.33 0.00 2.82 2.82 0.00 0.00 6.86 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 5 I 8.59 4.91 2.01 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 1.10 0.00 0.00 6 H 8.99 5.21 0.00 3.24 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.15 5.11 2.26 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 1.06 0.00 0.00 8 K 8.94 5.13 0.00 1.73 1.65 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 9 S 9.16 4.70 0.00 4.18 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 10 G 9.06 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 0.00 0.00 0.00 11 Q 8.82 4.08 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 12 D 7.84 4.41 0.00 2.28 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.22 4.79 0.00 1.50 1.39 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.43 7.81 14 W 9.43 5.23 0.00 3.33 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 15 E 8.97 5.35 0.00 1.89 1.89 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 2.35 2.40 0.00 16 V 8.90 4.71 2.20 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 0.81 0.00 0.00 1.22 0.00 0.00 17 N 8.60 5.44 0.00 2.60 2.86 0.00 0.00 6.54 7.68 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 18 V 8.73 4.64 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 0.84 0.00 0.00 0.69 0.00 0.00 19 A 8.29 4.42 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 20 P 0.00 4.08 0.00 2.24 2.07 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 21 E 7.97 4.24 0.00 1.92 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 2.29 2.54 0.00 22 S 7.91 4.34 0.00 3.88 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 23 T 8.84 4.65 4.49 0.00 0.00 0.00 0.00 0.00 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 24 V 8.64 3.78 2.44 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 1.20 0.00 0.00 1.17 0.00 0.00 25 L 8.13 3.96 0.00 1.83 1.67 0.92 0.63 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 26 Q 7.99 4.04 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 27 F 8.62 4.44 0.00 2.98 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 28 K 8.33 3.93 0.00 1.94 1.74 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 29 E 8.37 3.92 0.00 2.19 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 2.31 2.52 0.00 30 A 8.11 4.01 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 31 I 7.81 3.49 1.86 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.59 0.00 0.00 32 N 8.34 4.22 0.00 2.69 2.91 0.00 0.00 7.28 6.99 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 33 K 7.84 3.91 0.00 1.91 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 34 A 7.57 4.23 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 35 N 7.56 4.47 0.00 1.58 1.42 0.00 0.00 7.04 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 36 G 8.24 3.78 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 0.00 0.00 0.00 37 I 7.76 3.80 1.70 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 1.12 0.59 0.80 0.00 0.00 38 P 0.00 4.21 0.00 2.12 1.94 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 39 V 8.73 3.42 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 0.93 0.00 0.00 0.87 0.00 0.00 40 A 7.84 4.12 1.27 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 41 N 7.73 4.58 0.00 2.84 2.84 0.00 0.00 7.02 7.85 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 42 Q 7.84 4.11 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 43 R 8.41 4.81 0.00 1.77 1.87 0.00 3.02 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 44 L 8.48 5.21 0.00 1.57 1.51 0.56 0.56 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 45 I 8.80 5.03 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.71 0.93 0.00 0.00 46 Y 8.67 4.80 0.00 3.02 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 47 S 9.13 3.50 0.00 3.44 3.81 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 48 G 8.46 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 0.00 0.00 0.00 49 K 7.74 4.70 0.00 1.94 1.76 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.16 4.38 1.89 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 1.34 0.47 0.91 0.00 0.00 51 L 8.62 3.87 0.00 1.43 1.35 0.94 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.14 4.56 0.00 1.81 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.63 7.81 53 D 9.07 4.43 0.00 2.73 2.76 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 0.00 0.00 0.00 0.00 54 D 8.01 4.53 0.00 2.69 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 55 Q 7.99 4.27 0.00 2.42 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 56 T 8.01 4.74 4.39 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 1.19 0.00 0.00 57 V 8.59 3.57 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 0.68 0.00 0.00 0.60 0.00 0.00 58 E 8.28 4.01 0.00 2.21 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 0.00 2.37 2.27 0.00 59 S 7.55 4.05 0.00 3.74 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 60 Y 7.66 4.38 0.00 3.10 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 61 H 7.91 4.13 0.00 3.50 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.01 3.66 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.57 0.00 0.00 63 Q 7.79 4.54 0.00 1.68 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 64 D 8.30 4.44 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 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 0.00 0.00 0.00 66 H 8.05 4.81 0.00 3.25 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.77 5.48 0.00 3.82 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 68 V 9.02 4.71 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 1.07 0.00 0.00 1.16 0.00 0.00 69 H 9.19 5.33 0.00 3.28 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.73 4.85 0.00 1.70 1.69 0.88 0.68 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 71 V 8.91 4.74 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 0.66 0.00 0.00 0.91 0.00 0.00 72 K 8.37 4.70 0.00 1.80 1.73 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.37 7.81 73 S 8.36 4.27 0.00 3.99 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 74 Q 8.42 4.07 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 75 P 0.00 4.43 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00