NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 W 4.5475 8.2744 130.5354 57.3148 31.8884 175.3962 1 L 4.5064 9.8809 115.1034 54.6258 42.9514 174.0404 2 I 4.4693 8.3782 117.7626 59.2792 40.9081 173.7632 3 T 4.5390 8.4615 122.6997 61.8487 69.7816 174.0501 4 G 4.3331 8.5381 114.8360 43.6998 0.0000 171.3188 5 T 4.6962 7.9361 107.3573 59.2182 71.7176 173.3790 6 E 3.9361 8.6902 123.9412 56.2356 30.2128 176.6773 7 A 4.3845 8.3481 128.7645 51.7827 19.4837 176.2791 8 S 4.9598 8.1753 113.0219 56.7681 66.2626 171.8710 9 C 5.0117 8.3514 114.2822 54.1947 44.8770 174.8090 10 E 4.0922 8.7959 118.9415 58.0888 29.8112 176.3098 11 N 4.8332 7.6972 115.7342 50.4688 39.0336 173.7172 12 E 3.8721 8.6775 124.2040 57.5129 30.0532 176.4465 13 G 3.8348 9.0167 114.7238 45.9016 0.0000 172.1197 14 E 4.3201 7.7280 121.4776 54.5140 31.0519 175.5529 15 V 4.0158 8.4260 127.0823 63.3963 32.1010 175.0099 16 L 4.3375 8.4433 129.0681 54.2558 42.6650 176.5739 17 H 4.6978 8.8205 121.0793 54.3151 29.4495 173.6754 18 I 4.4180 7.9587 126.2251 58.1906 38.7513 173.9126 19 P 4.5250 0.0000 0.0000 64.2143 31.4679 176.4404 20 N 4.7069 9.0606 119.1538 53.3408 36.6686 174.7663 21 I 4.2049 7.2488 117.5906 63.5002 38.4996 177.9269 22 T 4.0404 7.9645 116.4309 65.7049 68.4559 175.5418 23 D 4.4600 7.9374 119.3511 54.1822 40.1828 175.6322 24 N 4.5479 7.8930 121.0067 52.3288 38.8894 173.7450 25 P 4.5113 0.0000 0.0000 65.0859 31.6852 177.6404 26 C 4.6946 8.0862 114.1272 56.7930 41.1044 172.6969 27 I 5.2486 7.9149 121.3105 59.5084 39.3970 175.2087 28 S 4.7718 8.6597 118.8227 57.3783 66.8134 172.2952 29 C 5.6812 8.6857 117.6800 55.5165 45.9489 173.1682 30 V 5.0363 8.4166 119.3911 60.3013 35.2063 173.0809 31 C 5.0698 8.8739 123.1330 55.9137 40.0506 172.4515 32 L 4.8479 9.1883 126.3900 55.1319 43.8055 175.4643 33 N 4.2077 9.8707 121.3314 55.1442 36.4231 174.4129 34 Q 3.9055 8.1998 111.2115 55.4749 27.0549 173.1770 35 K 4.8875 7.5833 116.3278 54.3559 36.1736 175.5585 36 A 4.6488 8.7502 126.4942 51.8417 18.9481 176.3827 37 E 4.4846 9.0647 122.8228 56.1347 31.0877 175.2918 38 C 5.5639 8.9687 123.9156 55.7222 37.9114 174.0307 39 K 4.8263 9.0369 124.1712 53.4233 36.0003 175.6435 40 Q 4.9610 8.5557 123.6759 53.9253 30.5813 175.0121 41 E 4.3666 9.1016 126.2036 56.0666 30.5265 176.5128 42 K 4.6147 8.5532 120.5405 55.3599 34.9859 176.0452 43 C 4.8236 8.3616 117.7484 54.7426 42.1922 173.7793 44 A 4.1540 8.4631 126.7774 51.4316 18.5323 175.6264 45 P 4.2170 0.0000 0.0000 63.0115 31.8985 175.5938 46 L 4.6309 8.0840 120.7035 52.9593 43.0932 175.6893 47 A 3.8985 8.4211 120.5654 53.0771 18.3011 177.9790 48 E 4.2386 8.8360 122.1290 57.2510 29.9605 176.5148 49 D 4.8894 7.7923 115.8323 53.7673 39.8597 176.5063 50 C 4.4520 7.7762 119.5936 56.7689 44.0573 173.1046 51 A 4.4186 8.8191 127.2867 51.7302 20.3313 176.1545 52 L 4.4683 7.5983 118.3702 54.0788 45.1642 175.1517 53 V 4.9052 8.4223 119.7354 60.2221 34.2248 175.4224 54 V 4.5646 9.0454 120.4102 60.5110 35.0667 173.3861 55 K 4.8165 8.4261 121.6887 54.3840 34.1474 176.2585 56 Q 4.0307 8.8359 123.9628 56.1518 29.3418 176.4540 57 T 3.9094 8.6647 117.4278 65.7144 68.7786 173.7402 58 G 3.9692 8.8039 112.5631 46.2472 0.0000 172.9135 59 A 4.4911 8.3374 121.8986 50.9066 20.3089 177.7414 60 C 4.4381 8.6938 119.0119 58.7822 44.2438 174.6710 61 C 4.8883 7.8174 115.6092 55.1968 41.2797 173.1344 62 E 4.5658 8.5688 122.0590 56.3545 30.3074 176.0448 63 K 4.7350 8.8783 121.1998 54.3852 36.2115 174.4796 64 C 4.7719 8.7175 122.7575 56.8644 43.5949 173.0797 65 K 4.0696 9.6690 127.8673 55.5975 33.3388 176.4617 66 G 3.7543 7.8420 113.6168 46.8185 0.0000 172.2551 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 W 8.27 4.55 0.00 3.32 2.39 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 1 L 9.88 4.51 0.00 2.08 1.68 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.38 4.47 1.79 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 1.37 0.89 0.82 0.00 0.00 3 T 8.46 4.54 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 1.24 0.00 0.00 4 G 8.54 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 5 T 7.94 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 1.22 0.00 0.00 6 E 8.69 3.94 0.00 1.96 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 2.30 2.32 0.00 7 A 8.35 4.38 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 8 S 8.18 4.96 0.00 4.02 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 9 C 8.35 5.01 0.00 3.08 3.17 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 10 E 8.80 4.09 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 11 N 7.70 4.83 0.00 2.88 2.93 0.00 0.00 5.75 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.68 3.87 0.00 1.93 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 2.29 2.37 0.00 13 G 9.02 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.73 4.32 0.00 2.20 1.81 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 2.26 2.25 0.00 15 V 8.43 4.02 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 0.69 0.00 0.00 0.91 0.00 0.00 16 L 8.44 4.34 0.00 1.53 1.56 0.99 0.80 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 17 H 8.82 4.70 0.00 3.13 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.96 4.42 1.88 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 1.47 1.03 0.91 0.00 0.00 19 P 0.00 4.53 0.00 2.17 2.07 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 20 N 9.06 4.71 0.00 2.90 3.13 0.00 0.00 7.01 7.45 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 21 I 7.25 4.20 1.87 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 1.41 1.01 0.91 0.00 0.00 22 T 7.96 4.04 4.54 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 1.28 0.00 0.00 23 D 7.94 4.46 0.00 2.76 2.79 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 24 N 7.89 4.55 0.00 2.74 2.82 0.00 0.00 7.07 7.59 0.00 0.00 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 4.51 0.00 2.08 2.28 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 26 C 8.09 4.69 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 27 I 7.91 5.25 1.87 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 1.28 0.61 0.91 0.00 0.00 28 S 8.66 4.77 0.00 3.87 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 29 C 8.69 5.68 0.00 2.82 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 30 V 8.42 5.04 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 0.66 0.00 0.00 0.94 0.00 0.00 31 C 8.87 5.07 0.00 3.04 3.17 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 32 L 9.19 4.85 0.00 1.68 1.70 0.92 0.40 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 33 N 9.87 4.21 0.00 2.85 2.98 0.00 0.00 7.12 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 34 Q 8.20 3.91 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 35 K 7.58 4.89 0.00 1.77 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 36 A 8.75 4.65 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.48 0.00 1.90 1.88 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 2.27 2.42 0.00 38 C 8.97 5.56 0.00 2.82 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 39 K 9.04 4.83 0.00 1.37 1.60 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.22 7.81 40 Q 8.56 4.96 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 41 E 9.10 4.37 0.00 2.00 1.94 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 2.31 2.26 0.00 42 K 8.55 4.61 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.43 7.81 43 C 8.36 4.82 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.15 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 45 P 0.00 4.22 0.00 2.05 2.03 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 46 L 8.08 4.63 0.00 1.72 1.65 0.92 0.47 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 47 A 8.42 3.90 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 48 E 8.84 4.24 0.00 1.94 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 2.29 0.00 49 D 7.79 4.89 0.00 2.79 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 50 C 7.78 4.45 0.00 3.02 3.06 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 0.00 0.00 0.00 0.00 51 A 8.82 4.42 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.47 0.00 1.69 1.48 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.42 4.91 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 0.78 0.00 0.00 0.97 0.00 0.00 54 V 9.05 4.56 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 0.82 0.00 0.00 0.93 0.00 0.00 55 K 8.43 4.82 0.00 1.63 1.75 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 56 Q 8.84 4.03 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 57 T 8.66 3.91 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 1.21 0.00 0.00 58 G 8.80 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 59 A 8.34 4.49 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 60 C 8.69 4.44 0.00 3.01 3.22 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 0.00 61 C 7.82 4.89 0.00 3.00 2.98 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 62 E 8.57 4.57 0.00 1.97 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 2.27 2.34 0.00 63 K 8.88 4.74 0.00 1.67 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.34 7.81 64 C 8.72 4.77 0.00 2.98 2.99 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 65 K 9.67 4.07 0.00 1.76 1.93 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 66 G 7.84 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 0.00 0.00 0.00