NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 4.8028 8.3244 115.9123 56.3539 39.2383 174.2081 12 N 4.2050 8.6437 121.4829 53.5503 39.4755 173.9096 13 C 4.8219 8.7302 120.1979 56.4421 44.7183 171.8883 14 N 5.2538 8.2579 119.6504 51.6233 39.5847 175.5082 15 K 4.0980 9.2073 127.3889 59.3546 32.1207 179.0515 16 R 4.1050 8.6243 118.4260 57.9035 30.2062 177.0007 17 E 4.4571 7.6344 115.3625 55.9365 30.9298 175.4266 18 G 3.9297 7.1842 105.1350 44.7129 0.0000 170.9288 19 P 4.4488 0.0000 0.0000 62.5131 32.1132 176.3764 20 C 4.8021 8.3659 117.0381 55.0328 35.4472 174.9715 21 S 4.4727 8.0890 120.3709 58.0710 63.1770 175.0211 22 Q 4.0208 8.6640 121.5821 59.1547 28.3062 179.2107 23 R 3.9116 8.0543 119.3687 59.6409 30.2297 178.5294 24 S 4.5233 8.2492 113.8614 61.6687 62.6986 176.2670 25 L 4.3160 7.9209 123.3136 56.5878 41.0938 178.1213 26 C 4.8266 7.7057 112.4277 57.2889 41.8387 174.5498 27 E 4.3583 8.4952 118.3401 56.8992 30.2980 176.0175 28 C 4.3845 8.0880 116.6355 56.6182 38.1024 173.0010 29 D 4.5115 8.6943 123.5878 53.7391 40.8559 175.0935 30 P 4.5462 0.0000 0.0000 64.8636 31.6261 176.8184 31 N 4.6921 8.5066 115.7720 54.0667 38.8625 175.2252 32 L 3.8929 7.6423 119.7557 55.0357 41.7370 178.0165 33 Q 2.6002 7.9870 124.4383 53.8384 27.1682 173.4796 34 L 4.2976 7.6002 119.4470 53.7163 42.7633 177.5298 35 G 4.3359 8.5918 110.6123 44.2546 0.0000 171.4911 36 R 4.1835 8.1220 118.4713 56.4896 31.1723 175.1080 37 H 4.6172 8.8413 125.3078 56.0809 31.0512 174.2029 38 S 4.6844 8.4430 119.3674 56.4374 65.3851 173.9869 39 D 4.4322 8.8720 124.9335 54.1986 39.6291 176.6257 40 Q 4.3026 7.8019 118.3247 56.3709 29.6521 175.4311 41 L 4.8826 7.3148 118.4053 53.4532 44.3318 175.1039 42 W 5.3596 9.1390 119.1361 55.4057 33.5799 174.3941 43 H 5.5353 9.3532 116.3695 54.3772 32.1145 171.4177 44 Y 4.8579 9.4550 121.6086 56.8214 40.5527 173.7041 45 N 4.8849 8.5960 126.5144 51.7445 39.5257 175.4946 46 L 3.6999 8.3192 127.6937 58.2290 41.1889 178.8472 47 R 4.0195 7.9665 118.6551 58.8811 29.9764 177.6001 48 T 4.1896 7.8684 104.9321 60.7954 69.7580 173.6616 49 N 4.2667 7.6224 119.2450 53.6725 38.0091 173.5339 50 R 5.0693 7.2213 112.7893 54.4039 35.0659 175.8645 51 C 5.2234 9.6488 120.0235 57.0512 39.8749 173.0289 52 E 5.0680 9.3231 121.0788 54.3040 33.8913 175.0830 53 R 2.6210 7.9951 122.1256 56.9736 30.8070 176.5415 54 G 3.8892 9.2209 113.6007 45.4557 0.0000 173.4310 55 G 4.0393 8.0245 108.9789 44.4155 0.0000 171.9685 56 Y 4.7114 8.3362 120.2592 56.6645 38.6857 177.1097 57 R 3.9799 8.7852 122.0349 58.3369 30.0309 177.0666 58 D 4.7605 8.4445 118.1195 53.8839 41.2603 174.9818 59 N 5.0739 8.0937 119.3627 52.5074 39.4699 174.3568 60 C 4.3080 9.0968 123.6938 60.1508 40.9480 173.8289 61 N 5.1427 8.6723 119.2416 50.9252 36.9237 174.0447 62 S 4.9652 7.3911 112.9363 57.0302 66.8061 174.1252 63 H 5.0352 9.2794 120.9173 53.8802 31.9772 174.7980 64 S 4.4025 8.8026 117.0610 60.3913 63.8070 174.4206 65 S 4.6681 7.6011 115.2783 55.9419 66.6353 175.0726 66 S 3.1810 7.6075 117.8571 61.2557 62.5105 176.8738 67 G 3.3903 7.6745 108.6924 47.0360 0.0000 175.3518 68 A 3.9746 8.0416 123.1657 55.2182 18.4121 178.9469 69 C 3.9731 7.9576 116.6244 59.6002 39.8470 175.8975 70 V 3.4709 7.8624 120.1045 66.2184 30.8994 177.6974 71 M 3.9494 7.8346 116.3842 58.6294 32.1587 177.7723 72 A 4.1398 7.9159 119.9019 54.6854 18.5954 177.6108 73 C 4.3557 7.8569 111.1518 57.4364 43.2227 174.9081 74 E 4.3498 7.9264 119.3090 55.9581 29.5620 176.3403 75 R 4.7107 8.3285 118.9568 54.2028 32.3917 175.7940 76 I 3.9853 8.1923 118.5182 61.7675 37.2377 176.0180 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 11 F 8.32 4.80 0.00 3.21 3.05 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 0.00 0.00 0.00 0.00 12 N 8.64 4.21 0.00 2.75 2.86 0.00 0.00 6.84 6.77 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 13 C 8.73 4.82 0.00 2.69 2.91 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 14 N 8.26 5.25 0.00 2.72 2.64 0.00 0.00 7.16 6.56 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 15 K 9.21 4.10 0.00 1.63 1.87 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.54 7.81 16 R 8.62 4.11 0.00 1.97 1.98 0.00 3.25 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 1.66 1.71 0.00 17 E 7.63 4.46 0.00 1.92 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 2.23 2.20 0.00 18 G 7.18 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 19 P 0.00 4.45 0.00 2.21 2.07 0.00 3.74 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 2.00 2.00 0.00 20 C 8.37 4.80 0.00 2.97 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 21 S 8.09 4.47 0.00 4.19 4.06 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 22 Q 8.66 4.02 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 23 R 8.05 3.91 0.00 1.83 1.94 0.00 2.91 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 24 S 8.25 4.52 0.00 4.32 4.35 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 0.00 0.00 0.00 0.00 25 L 7.92 4.32 0.00 1.91 1.87 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.71 4.83 0.00 2.89 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 27 E 8.50 4.36 0.00 2.17 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 0.00 2.35 2.42 0.00 28 C 8.09 4.38 0.00 3.17 3.02 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 29 D 8.69 4.51 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.16 2.29 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 31 N 8.51 4.69 0.00 2.88 2.92 0.00 0.00 6.98 7.80 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 32 L 7.64 3.89 0.00 1.59 1.52 0.85 0.90 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 33 Q 7.99 2.60 0.00 1.74 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 1.47 2.10 0.00 34 L 7.60 4.30 0.00 1.66 1.56 0.89 0.82 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 G 8.59 4.34 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 0.00 36 R 8.12 4.18 0.00 1.95 1.84 0.00 3.19 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 37 H 8.84 4.62 0.00 2.98 3.07 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.44 4.68 0.00 3.79 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.43 0.00 2.71 2.69 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 40 Q 7.80 4.30 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 41 L 7.31 4.88 0.00 1.59 1.72 0.90 1.00 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 42 W 9.14 5.36 0.00 3.31 3.16 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 43 H 9.35 5.54 0.00 3.35 3.51 0.00 5.25 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 44 Y 9.46 4.86 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 45 N 8.60 4.88 0.00 2.74 2.69 0.00 0.00 6.62 7.05 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 46 L 8.32 3.70 0.00 1.85 1.83 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.97 4.02 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 48 T 7.87 4.19 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 49 N 7.62 4.27 0.00 2.93 2.94 0.00 0.00 6.91 7.71 0.00 0.00 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 R 7.22 5.07 0.00 1.71 1.78 0.00 3.37 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 51 C 9.65 5.22 0.00 2.89 3.21 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 0.00 0.00 0.00 0.00 52 E 9.32 5.07 0.00 1.56 1.70 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 2.23 2.22 0.00 53 R 8.00 2.62 0.00 0.67 1.34 0.00 2.94 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.00 54 G 9.22 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.02 4.04 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 0.00 0.00 0.00 56 Y 8.34 4.71 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 57 R 8.79 3.98 0.00 1.94 2.07 0.00 3.05 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 58 D 8.44 4.76 0.00 2.75 2.87 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 59 N 8.09 5.07 0.00 2.76 2.95 0.00 0.00 7.10 8.33 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 60 C 9.10 4.31 0.00 3.01 3.16 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 61 N 8.67 5.14 0.00 2.80 2.98 0.00 0.00 6.92 8.48 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 62 S 7.39 4.97 0.00 4.00 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 63 H 9.28 5.04 0.00 3.30 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.80 4.40 0.00 4.02 4.03 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 65 S 7.60 4.67 0.00 3.92 3.94 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 66 S 7.61 3.18 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.39 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 0.00 68 A 8.04 3.97 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 69 C 7.96 3.97 0.00 2.99 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 70 V 7.86 3.47 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 0.94 0.00 0.00 0.99 0.00 0.00 71 M 7.83 3.95 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 72 A 7.92 4.14 1.38 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 0.00 0.00 73 C 7.86 4.36 0.00 2.48 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 74 E 7.93 4.35 0.00 2.12 1.93 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 2.72 2.35 0.00 75 R 8.33 4.71 0.00 1.86 1.86 0.00 3.18 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 76 I 8.19 3.99 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 1.27 0.55 0.91 0.00 0.00