NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3065 8.2493 123.5823 50.9738 19.8181 176.5756 7 P 4.3038 0.0000 0.0000 60.6872 31.8302 174.7014 8 D 4.7816 8.7116 122.6620 51.8568 43.0371 177.4417 9 F 4.0762 8.9363 119.4531 62.3445 39.1185 177.0237 10 H 4.4631 8.1895 115.0923 58.9638 28.0540 177.4683 11 D 4.3476 8.6961 121.0161 57.0952 40.4378 179.0222 12 K 3.6484 7.6731 117.8710 59.0581 32.3798 178.3193 13 Y 4.6461 7.8698 114.4464 57.1958 38.6407 177.7212 14 G 3.8675 7.9614 108.3877 48.3398 0.0000 175.4585 15 N 4.3524 8.2035 118.7503 55.6438 38.4876 177.3331 16 A 3.9816 7.9078 121.5454 55.1803 18.6576 179.5334 17 V 3.5736 8.0090 116.9699 66.1193 31.5772 178.0108 18 L 3.9423 8.1547 119.6794 58.0379 41.9945 178.7590 19 A 3.9913 8.1246 120.8848 55.3776 18.4963 179.8320 20 S 4.3755 8.5840 112.7902 60.8668 63.1841 176.9195 21 G 3.6245 8.1871 109.8726 47.7482 0.0000 175.7075 22 A 4.0904 8.1161 123.6527 55.0501 18.4136 179.8471 23 T 3.8600 8.0452 114.2653 66.7181 68.4837 176.5574 24 F 4.2412 8.3724 122.4649 61.4827 39.4611 176.3863 25 C 4.0658 8.2936 118.1920 62.7207 31.3409 175.6993 26 V 3.6365 7.9519 119.2574 65.8935 31.1276 177.6893 27 A 4.0208 8.1121 120.6223 55.3890 18.2221 180.1113 28 V 3.5488 7.8327 117.7572 64.5864 31.3290 178.6265 29 W 3.8295 8.3628 119.7236 59.4594 28.8701 178.6841 30 V 3.6661 8.2199 118.4266 65.9665 30.8605 177.5249 31 Y 4.0377 8.1388 119.3708 60.9859 38.5081 177.5657 32 M 3.8245 8.1795 117.7412 58.6635 32.3689 177.7892 33 A 4.7106 8.3664 120.1955 54.3753 18.6740 178.0098 34 T 4.5665 7.7564 104.2145 61.3059 70.4092 174.6951 35 Q 4.4010 8.1403 119.8509 55.5340 29.2538 175.7057 36 I 4.1888 7.5343 109.8904 60.3128 38.0023 176.0359 37 G 3.8152 8.2646 107.4981 46.0222 0.0000 173.7092 38 I 3.4815 7.3828 120.2531 60.5953 37.4439 175.2763 39 E 4.2294 8.2093 126.5676 54.6887 29.1787 175.6813 40 W 4.1737 8.6447 127.2052 57.3159 30.1979 176.0959 41 N 4.1922 8.0461 115.8558 53.9420 36.6738 170.8641 42 P 4.5960 0.0000 0.0000 61.8505 33.0159 176.6929 43 S 4.2501 8.3009 113.4451 57.8035 62.8703 172.5341 44 P 4.3290 0.0000 0.0000 64.7642 31.5268 176.6251 45 V 3.6639 7.2885 117.9291 64.5423 31.3718 176.4328 46 G 4.0722 9.0693 115.3300 45.5001 0.0000 173.6558 47 R 4.4322 8.1916 114.7300 56.1763 31.4958 176.2285 48 V 4.1402 7.6209 117.0632 61.2672 32.8585 174.9856 49 T 4.3603 8.2562 123.7425 61.3154 68.4466 172.9676 50 P 4.3008 0.0000 0.0000 62.8144 31.8968 175.9206 51 K 4.6795 8.3242 122.6944 53.9287 34.8449 175.4433 52 E 4.0868 8.8347 124.3109 56.7101 29.8788 176.8542 53 W 4.6699 8.0524 118.8846 57.2235 30.5075 175.4497 54 R 3.3664 6.2538 122.2989 56.0013 29.2973 175.7055 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 6 A 8.25 4.31 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 7 P 0.00 4.30 0.00 2.21 2.05 0.00 3.35 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 D 8.71 4.78 0.00 2.92 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 9 F 8.94 4.08 0.00 3.22 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 10 H 8.19 4.46 0.00 3.40 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.70 4.35 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 12 K 7.67 3.65 0.00 1.10 0.74 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.21 1.47 7.81 13 Y 7.87 4.65 0.00 2.01 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 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 0.00 0.00 0.00 15 N 8.20 4.35 0.00 2.73 2.89 0.00 0.00 6.89 7.11 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 16 A 7.91 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 3.57 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.17 0.00 0.00 18 L 8.15 3.94 0.00 1.85 1.82 0.95 0.98 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 19 A 8.12 3.99 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 20 S 8.58 4.38 0.00 4.07 4.17 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 21 G 8.19 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 22 A 8.12 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.86 4.38 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 1.28 0.00 0.00 24 F 8.37 4.24 0.00 3.19 3.35 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 C 8.29 4.07 0.00 3.33 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 26 V 7.95 3.64 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 0.99 0.00 0.00 0.97 0.00 0.00 27 A 8.11 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.55 1.59 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 0.41 0.00 0.00 0.71 0.00 0.00 29 W 8.36 3.83 0.00 3.55 3.36 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 30 V 8.22 3.67 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.14 4.04 0.00 3.02 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 32 M 8.18 3.82 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 33 A 8.37 4.71 1.49 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 0.00 0.00 0.00 34 T 7.76 4.57 4.26 0.00 0.00 0.00 0.00 0.00 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 35 Q 8.14 4.40 0.00 1.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.07 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 36 I 7.53 4.19 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.59 0.00 0.00 37 G 8.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.38 3.48 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 -0.32 0.00 0.00 39 E 8.21 4.23 0.00 1.81 1.75 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 2.20 2.34 0.00 40 W 8.64 4.17 0.00 3.38 3.28 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 41 N 8.05 4.19 0.00 2.78 2.84 0.00 0.00 7.21 8.96 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 42 P 0.00 4.60 0.00 2.24 2.10 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.30 4.25 0.00 3.86 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 44 P 0.00 4.33 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.29 3.66 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.07 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.19 4.43 0.00 1.86 2.02 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 48 V 7.62 4.14 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.26 4.36 4.26 0.00 0.00 0.00 0.00 0.00 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 50 P 0.00 4.30 0.00 2.08 2.06 0.00 3.64 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 2.06 2.11 0.00 51 K 8.32 4.68 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.83 4.09 0.00 1.97 1.79 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 2.31 2.22 0.00 53 W 8.05 4.67 0.00 3.54 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 54 R 6.25 3.37 0.00 0.67 0.77 0.00 3.07 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.11 0.00