NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3035 8.2549 119.0747 56.0113 32.2192 174.9627 8 I 3.8231 7.6458 119.8925 59.6367 38.3253 174.5817 9 P 4.5343 0.0000 0.0000 63.1418 34.1335 177.6282 10 L 4.0269 8.5152 124.0361 59.3861 40.9788 180.2815 11 W 4.6769 8.3965 115.2890 58.3367 28.0701 176.6340 12 I 3.7526 7.0143 119.1350 61.4634 38.6191 177.4531 13 V 3.5179 7.4478 119.0416 65.9327 31.3295 176.8226 14 A 4.1450 8.9202 121.7436 53.1787 17.8809 179.4016 15 T 3.7011 7.9593 106.4576 64.1874 69.4028 176.2468 16 V 3.4384 7.3277 120.2933 65.6187 31.5878 177.7098 17 A 4.0587 7.9242 120.0086 55.5972 18.2927 179.0983 18 G 3.6711 8.7949 104.5141 48.8300 0.0000 175.3771 19 M 4.1873 8.7302 123.0016 57.4592 32.3935 179.1523 20 G 3.6883 7.9625 106.0110 47.9748 0.0000 176.0759 21 V 3.6528 8.3250 121.8776 65.2136 31.3972 178.1779 22 I 3.7012 7.7909 119.6598 63.7631 36.8068 178.5580 23 V 3.6316 7.7057 119.4673 65.8695 31.5366 177.7989 24 I 3.3327 7.5271 117.8216 64.0584 37.8012 177.7087 25 V 4.0395 8.1464 118.6789 65.0769 31.3237 177.9223 26 G 3.7910 7.5429 104.1746 47.3707 0.0000 175.6665 27 L 4.1175 8.3888 122.9884 57.8321 42.0447 179.2417 28 F 4.5834 8.0693 117.8085 60.9151 38.7746 177.6745 29 F 3.8376 8.1251 115.4097 60.4276 38.9361 176.9289 30 Y 4.5879 8.4540 119.7383 60.6156 38.7323 177.5173 31 G 3.7468 8.3342 106.4063 47.5985 0.0000 175.1432 32 A 3.6935 7.4496 122.2468 53.9847 18.3084 177.0233 33 Y 4.3853 7.1141 112.6518 57.4925 40.0122 175.2767 34 A 4.1096 8.8624 129.8395 52.8631 17.5168 178.8855 35 G 4.3256 7.2936 101.6814 44.8534 0.0000 173.3156 36 L 3.9824 8.4073 117.6574 57.3359 41.8336 178.3114 37 G 3.7437 7.8453 104.9160 45.6737 0.0000 173.3427 38 S 4.7688 7.5372 115.1772 57.3803 63.1946 173.6779 39 S 4.7980 8.3122 114.2088 57.8467 63.1472 174.0146 40 L 4.3395 7.6302 126.8685 56.0120 42.3152 176.4754 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 7 R 8.25 4.30 0.00 1.85 1.74 0.00 3.23 0.00 0.00 3.22 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 I 7.65 3.82 1.84 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 1.38 0.78 0.83 0.00 0.00 9 P 0.00 4.53 0.00 1.98 2.22 0.00 3.49 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 10 L 8.52 4.03 0.00 1.65 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.40 4.68 0.00 3.59 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 12 I 7.01 3.75 1.39 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.36 0.58 0.00 0.00 13 V 7.45 3.52 2.17 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 0.99 0.00 0.00 0.90 0.00 0.00 14 A 8.92 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 3.70 4.23 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 1.31 0.00 0.00 16 V 7.33 3.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 17 A 7.92 4.06 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 18 G 8.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.73 4.19 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 20 G 7.96 3.69 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 0.00 0.00 0.00 21 V 8.32 3.65 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 1.14 0.00 0.00 0.98 0.00 0.00 22 I 7.79 3.70 2.03 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 1.61 1.25 0.90 0.00 0.00 23 V 7.71 3.63 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 0.80 0.00 0.00 1.01 0.00 0.00 24 I 7.53 3.33 1.70 0.00 0.00 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 0.52 0.66 0.84 0.00 0.00 25 V 8.15 4.04 2.31 0.00 0.00 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 1.08 0.00 0.00 26 G 7.54 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 0.00 0.00 0.00 27 L 8.39 4.12 0.00 1.63 1.62 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.07 4.58 0.00 3.42 2.90 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 F 8.13 3.84 0.00 3.40 3.34 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 30 Y 8.45 4.59 0.00 3.21 3.27 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 31 G 8.33 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 32 A 7.45 3.69 0.88 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 0.00 0.00 0.00 0.00 0.00 33 Y 7.11 4.39 0.00 2.82 2.86 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 34 A 8.86 4.11 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 35 G 7.29 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 36 L 8.41 3.98 0.00 1.62 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.85 3.74 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 0.00 0.00 0.00 38 S 7.54 4.77 0.00 3.73 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 39 S 8.31 4.80 0.00 3.95 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 40 L 7.63 4.34 0.00 1.55 1.54 0.95 0.76 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