NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3514 8.1927 116.7881 57.9476 64.3897 173.6183 2 I 3.2419 8.0208 120.1895 64.1631 37.2786 175.7727 3 S 4.3137 8.1101 114.8945 60.7489 62.6973 175.5238 4 S 4.1192 7.6145 115.5615 61.5061 61.9734 176.4232 5 R 3.9661 7.8834 120.4363 59.3395 29.7686 178.9108 6 V 3.6959 7.7996 117.2854 66.0644 31.4674 177.6545 7 K 3.8905 8.6394 119.2515 59.6067 32.0470 178.3566 8 S 4.1086 8.4855 113.7616 61.5825 62.2653 176.1736 9 K 3.9491 8.5291 122.3839 59.3525 31.9293 178.4587 10 R 3.8810 8.3166 119.4365 59.6080 29.8734 178.4279 11 I 3.6954 8.0760 119.5970 64.6520 36.9471 178.3167 12 Q 4.0039 8.1219 117.5802 59.1762 28.6633 179.0296 13 L 4.1634 8.3516 118.9284 55.4632 41.6121 177.7027 14 G 3.8633 8.1880 106.6801 46.5380 0.0000 173.1707 15 L 4.9072 7.8982 118.1087 52.3079 44.9110 175.8856 16 N 5.0074 8.2996 117.3726 51.0136 41.0881 175.7308 17 Q 3.9636 8.4804 118.6018 58.9692 28.5741 179.1553 18 A 3.9013 8.5398 121.8807 55.1594 18.4880 179.2836 19 E 3.8602 8.3472 116.6341 59.5673 29.5996 179.1001 20 L 3.8548 8.2156 120.1963 58.2162 42.1027 178.5701 21 A 3.8277 8.2874 120.8750 55.5342 18.1159 179.6814 22 Q 3.9147 8.2989 116.4328 59.1122 28.5767 179.1761 23 K 3.9568 8.2162 118.7616 59.4589 32.1105 179.3000 24 V 3.7560 8.0980 118.3109 63.7766 31.8123 176.5007 25 G 3.8572 8.4833 105.5488 46.3053 0.0000 172.2093 26 T 4.4644 7.9529 115.2661 60.7380 70.2230 172.0814 27 T 4.6070 8.0635 108.5521 59.7411 71.4359 174.5594 28 Q 3.8739 8.7701 124.3896 59.7113 28.7674 178.7716 29 Q 3.9635 8.1540 119.7264 59.5873 28.9022 178.7517 30 S 4.2081 8.0036 115.7636 61.6301 62.8757 176.8079 31 I 3.5909 7.5133 121.8813 64.3191 36.9493 177.8402 32 E 3.9631 8.5626 120.5066 59.2756 29.3728 178.3640 33 Q 3.9628 8.4297 119.9630 59.2801 29.0164 178.3622 34 L 3.9941 8.1875 121.0727 58.2148 41.8088 178.5294 35 E 4.1409 8.9122 120.4580 58.8279 29.3371 178.8883 36 N 4.5979 8.4720 114.3882 53.2411 37.7156 174.9179 37 G 3.7982 8.1029 109.3586 47.0870 0.0000 173.7825 38 K 4.4654 8.2675 116.2236 56.1609 32.3028 176.6844 39 T 4.7075 7.5000 111.6996 60.6818 70.7957 173.3458 40 K 4.2468 8.6171 122.8988 57.5512 33.1110 177.4833 41 R 4.4124 7.4865 117.8273 53.5331 32.3637 172.4416 42 P 3.9356 0.0000 0.0000 61.8666 32.3810 176.4207 43 R 3.9145 8.0973 118.8970 59.2170 29.5199 177.4211 44 F 5.1361 6.5692 113.3859 56.6567 39.2425 177.7441 45 L 3.9904 7.5905 120.3687 58.8767 41.6221 177.2630 46 P 4.2812 0.0000 0.0000 65.9867 31.2939 178.0976 47 E 4.0927 8.2174 119.3401 58.3452 29.3560 178.9832 48 L 3.9518 8.6481 120.3834 58.1345 42.1936 178.5694 49 A 4.0937 8.3217 121.2717 55.3740 17.7698 179.8194 50 S 4.0295 8.6801 112.6459 61.5282 62.9426 176.1760 51 A 4.0156 8.0640 123.9783 55.0842 18.1690 179.3255 52 L 4.1518 8.0953 115.9211 55.2207 42.6618 177.1482 53 G 3.6166 8.4979 105.5646 46.6444 0.0000 171.9601 54 V 4.4208 7.2500 109.7261 58.5546 36.1603 176.2110 55 S 4.6365 8.2285 115.2010 57.5893 65.4229 175.0145 56 V 3.6092 8.4394 123.4039 66.5260 31.2265 177.6072 57 D 4.3938 8.3065 117.0619 57.4914 41.0005 178.2097 58 W 4.2050 7.8980 127.8678 60.1834 30.5057 177.9092 59 L 3.9734 8.1947 118.5578 57.8550 41.1349 179.4092 60 L 4.0667 8.0577 118.0167 58.1885 41.7897 178.8560 61 N 4.4473 8.4418 115.8676 53.9789 40.1411 174.5819 62 G 2.4483 7.7889 108.0358 44.8720 0.0000 172.4983 63 T 4.6173 7.3754 107.0806 60.7380 71.2296 175.4491 64 S 4.4827 8.3618 122.5033 57.1774 63.9283 173.5465 65 D 4.4543 8.6347 125.9661 53.5579 41.4975 173.3880 66 S 4.4425 8.2219 116.1615 57.9832 65.7195 174.4094 67 N 4.7236 8.3711 125.1996 51.5552 38.4896 171.6586 68 V 3.4645 8.2043 123.8286 62.5799 32.7327 171.9633 69 R 4.2001 8.5352 122.0214 56.8932 30.0131 176.2357 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 S 8.19 4.35 0.00 3.88 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 2 I 8.02 3.24 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.88 0.00 0.00 3 S 8.11 4.31 0.00 4.09 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 4 S 7.61 4.12 0.00 3.90 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 5 R 7.88 3.97 0.00 1.68 1.72 0.00 2.21 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 6 V 7.80 3.70 2.27 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 1.16 0.00 0.00 0.99 0.00 0.00 7 K 8.64 3.89 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 8 S 8.49 4.11 0.00 3.97 4.14 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 0.00 0.00 0.00 0.00 9 K 8.53 3.95 0.00 2.18 2.00 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 R 8.32 3.88 0.00 2.14 1.96 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 11 I 8.08 3.70 2.02 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 1.74 0.84 0.92 0.00 0.00 12 Q 8.12 4.00 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 13 L 8.35 4.16 0.00 1.84 1.74 0.91 0.99 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 14 G 8.19 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 15 L 7.90 4.91 0.00 1.61 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.30 5.01 0.00 2.98 2.92 0.00 0.00 7.68 7.04 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 17 Q 8.48 3.96 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 18 A 8.54 3.90 1.36 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 0.00 0.00 0.00 19 E 8.35 3.86 0.00 2.16 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 2.39 2.37 0.00 20 L 8.22 3.85 0.00 1.71 1.78 0.93 0.85 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 21 A 8.29 3.83 1.33 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 22 Q 8.30 3.91 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 23 K 8.22 3.96 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 24 V 8.10 3.76 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 0.67 0.00 0.00 0.92 0.00 0.00 25 G 8.48 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 26 T 7.95 4.46 4.14 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 0.00 0.00 0.00 0.76 0.00 0.00 27 T 8.06 4.61 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 1.20 0.00 0.00 28 Q 8.77 3.87 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 29 Q 8.15 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 30 S 8.00 4.21 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.59 2.01 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.92 0.00 0.00 32 E 8.56 3.96 0.00 2.09 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 0.00 2.31 2.33 0.00 33 Q 8.43 3.96 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 34 L 8.19 3.99 0.00 2.07 1.92 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.91 4.14 0.00 2.34 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 2.34 2.25 0.00 36 N 8.47 4.60 0.00 2.82 2.95 0.00 0.00 7.14 6.86 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 37 G 8.10 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 38 K 8.27 4.47 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.65 7.81 39 T 7.50 4.71 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 1.18 0.00 0.00 40 K 8.62 4.25 0.00 1.74 1.80 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.38 7.81 41 R 7.49 4.41 0.00 1.62 1.67 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 42 P 0.00 3.94 0.00 1.37 1.44 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 43 R 8.10 3.91 0.00 1.96 2.13 0.00 2.97 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.69 0.00 44 F 6.57 5.14 0.00 3.30 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.99 0.00 1.70 1.79 0.89 1.16 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 46 P 0.00 4.28 0.00 2.29 2.33 0.00 3.81 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 2.11 2.08 0.00 47 E 8.22 4.09 0.00 2.33 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 0.00 2.45 2.30 0.00 48 L 8.65 3.95 0.00 2.03 1.94 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.32 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.68 4.03 0.00 4.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.15 0.00 1.69 1.75 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.25 4.42 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 0.36 0.00 0.00 1.12 0.00 0.00 55 S 8.23 4.64 0.00 4.12 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 56 V 8.44 3.61 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 1.06 0.00 0.00 0.97 0.00 0.00 57 D 8.31 4.39 0.00 2.81 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 58 W 7.90 4.20 0.00 3.59 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.97 0.00 1.89 1.77 1.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 4.07 0.00 1.71 1.69 0.92 0.90 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 61 N 8.44 4.45 0.00 2.73 2.77 0.00 0.00 7.52 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.79 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.38 4.62 4.30 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 1.18 0.00 0.00 64 S 8.36 4.48 0.00 4.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.63 4.45 0.00 2.80 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 66 S 8.22 4.44 0.00 3.87 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 67 N 8.37 4.72 0.00 2.65 2.70 0.00 0.00 7.24 7.72 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 68 V 8.20 3.46 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 0.77 0.00 0.00 0.94 0.00 0.00 69 R 8.54 4.20 0.00 2.01 1.90 0.00 3.46 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00