NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3286 8.1593 117.3740 62.8154 70.1648 173.0949 2 P 4.5712 0.0000 0.0000 60.0803 33.0903 173.8085 3 D 4.5907 8.8785 122.1950 54.2594 39.9776 177.0794 4 C 4.9351 9.0331 120.8510 57.7302 45.8437 174.2215 5 V 4.7000 7.3313 115.8309 60.5985 34.8025 174.0451 6 T 4.9604 8.6245 117.7287 61.0518 72.5300 174.5401 7 G 3.7730 7.5482 112.5778 45.7741 0.0000 171.6099 8 K 4.4768 7.8674 118.9619 54.8802 33.4923 176.8131 9 V 3.8921 8.0315 120.5303 62.5914 31.2047 175.6303 10 E 4.3154 8.9148 128.9517 59.4118 29.9054 176.9988 11 Y 4.9292 6.9842 114.5073 56.4248 40.8950 173.2141 12 T 5.1099 8.7517 109.9018 59.8466 71.7883 173.0890 13 K 4.5801 8.5649 122.5959 54.8572 35.1791 174.4037 14 Y 4.3027 8.8137 126.9019 56.4219 39.6443 174.7504 15 N 4.8644 7.9904 123.7360 51.5404 40.8462 174.5788 16 D 4.4554 8.3226 118.1380 57.0469 41.5425 177.7592 17 D 4.3964 7.9434 119.3753 54.6824 39.5334 176.5390 18 D 4.4595 8.3424 118.8231 55.9690 38.6957 173.9386 19 T 4.4399 8.4618 115.6086 62.5864 70.0395 174.2207 20 F 4.7251 8.2757 124.5907 58.0136 41.6654 172.8961 21 T 4.6963 8.0960 123.1542 62.7583 70.4297 174.6947 22 V 4.6942 8.5163 116.9863 59.3437 36.4411 174.5648 23 K 5.1024 8.2741 124.0808 53.8475 34.3655 175.0140 24 V 4.4187 7.7788 126.6778 60.7676 35.2142 176.0978 25 G 3.7529 8.8602 114.2541 47.3136 0.0000 174.2171 26 D 4.9880 8.7121 121.3122 52.4693 39.9021 175.5625 27 K 4.6120 8.0301 118.1044 55.4366 36.6366 175.1136 28 E 4.8937 8.8002 124.8185 54.7726 31.3516 174.2741 29 L 5.4048 8.6278 127.2897 52.8504 45.6496 175.9123 30 F 5.4416 9.0351 116.7800 54.9794 41.3939 173.7961 31 T 4.3708 8.3771 111.7153 61.0686 69.6666 172.8232 32 N 4.9794 8.5877 122.1385 52.6294 40.5965 175.2229 33 R 3.9878 7.3976 118.6173 55.8327 30.7207 175.8475 34 W 4.3186 8.5364 130.2803 59.1550 30.6212 175.5657 35 N 4.2575 8.5716 125.0768 53.7336 38.2114 175.7933 36 L 4.0641 7.3189 117.6478 58.2906 41.9514 178.8455 37 Q 3.4712 7.6775 117.8232 58.4703 28.4525 178.1422 38 S 4.0220 7.7384 113.6026 61.5749 62.5942 176.0638 39 L 3.9176 7.8152 121.5033 57.8310 41.2740 179.6239 40 L 4.4076 8.2558 118.9522 57.6019 41.5250 179.3725 41 L 4.2279 8.3050 119.2304 57.6840 41.6384 179.6109 42 S 3.9071 8.0294 115.4308 61.3050 62.7444 176.4104 43 A 4.1058 8.0155 123.2174 55.0596 18.1946 179.4800 44 Q 3.8861 8.3477 118.0989 59.6210 29.0698 178.2724 45 I 3.7707 8.4202 120.8972 64.0070 37.2701 177.4214 46 T 4.5161 7.9017 106.9684 61.0748 69.3922 175.1924 47 G 3.9219 7.9599 109.8141 45.9468 0.0000 173.6335 48 M 4.3992 7.7383 118.3206 55.2762 32.9730 176.3044 49 T 4.5924 8.4101 117.8736 63.2196 70.6706 174.2554 50 V 4.8071 8.5554 116.8783 60.1271 36.8760 174.1081 51 T 4.8584 8.2976 118.7445 61.8574 71.7290 173.0933 52 I 4.4525 8.2072 127.0063 59.5902 39.0553 174.7951 53 K 4.7755 7.9291 127.0269 55.2781 33.5868 175.9579 54 T 4.1845 8.5176 116.5304 62.3060 70.6463 172.4634 55 N 4.7672 9.1515 121.5339 53.2903 40.4792 175.0646 56 A 4.6134 7.5298 122.3359 52.0103 19.3132 178.5123 57 C 4.7961 7.8835 122.1099 55.7817 40.6575 171.5448 58 H 4.5876 7.5494 117.4183 53.9782 30.3529 174.1840 59 N 4.7776 8.9249 118.3227 55.5386 38.6304 175.5600 60 G 4.1518 9.1355 112.1311 44.9317 0.0000 174.1420 61 G 4.1436 8.4656 108.7770 45.9335 0.0000 173.3866 62 G 4.0464 8.4179 109.7547 45.4679 0.0000 172.7376 63 F 5.1542 7.3486 114.4627 55.5515 40.2927 174.2020 64 S 4.4312 8.8185 112.1685 57.3779 64.5827 173.4866 65 E 4.8098 7.9306 120.8797 54.9517 32.0007 175.2552 66 V 4.4211 8.0847 120.7140 62.2096 34.7197 172.3095 67 I 4.3984 8.4919 129.2265 59.8231 39.5796 174.8893 68 F 4.6934 8.7965 124.6906 55.8563 40.3479 175.8112 69 R 4.2684 8.4717 122.3177 56.2904 29.6116 176.9014 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 T 8.16 4.33 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 1.29 0.00 0.00 2 P 0.00 4.57 0.00 2.18 2.15 0.00 3.69 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 2.25 2.02 0.00 3 D 8.88 4.59 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.03 4.94 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.70 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 0.54 0.00 0.00 0.90 0.00 0.00 6 T 8.62 4.96 4.19 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 0.00 0.00 0.00 1.21 0.00 0.00 7 G 7.55 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.87 4.48 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 9 V 8.03 3.89 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 0.77 0.00 0.00 0.95 0.00 0.00 10 E 8.91 4.32 0.00 1.73 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 2.29 2.38 0.00 11 Y 6.98 4.93 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 5.11 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 1.26 0.00 0.00 13 K 8.56 4.58 0.00 1.63 1.72 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 Y 8.81 4.30 0.00 3.18 3.08 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 0.00 0.00 0.00 15 N 7.99 4.86 0.00 2.80 2.77 0.00 0.00 7.02 7.94 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 16 D 8.32 4.46 0.00 2.70 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 17 D 7.94 4.40 0.00 2.79 2.83 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 18 D 8.34 4.46 0.00 2.86 2.89 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 19 T 8.46 4.44 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 1.16 0.00 0.00 20 F 8.28 4.73 0.00 2.92 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 21 T 8.10 4.70 4.19 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 0.00 0.00 0.00 1.24 0.00 0.00 22 V 8.52 4.69 1.98 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 0.85 0.00 0.00 0.97 0.00 0.00 23 K 8.27 5.10 0.00 0.79 0.79 0.00 1.33 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 1.07 7.81 24 V 7.78 4.42 1.89 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 0.84 0.00 0.00 0.75 0.00 0.00 25 G 8.86 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 26 D 8.71 4.99 0.00 2.74 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 27 K 8.03 4.61 0.00 1.69 1.63 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.45 7.81 28 E 8.80 4.89 0.00 2.05 1.86 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 2.30 2.28 0.00 29 L 8.63 5.40 0.00 1.63 1.74 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.04 5.44 0.00 3.26 3.24 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 31 T 8.38 4.37 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 1.14 0.00 0.00 32 N 8.59 4.98 0.00 2.76 2.84 0.00 0.00 6.97 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 33 R 7.40 3.99 0.00 1.77 1.90 0.00 3.29 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 34 W 8.54 4.32 0.00 3.17 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 35 N 8.57 4.26 0.00 2.45 2.88 0.00 0.00 6.78 6.66 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 36 L 7.32 4.06 0.00 1.79 1.59 0.95 0.99 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 37 Q 7.68 3.47 0.00 1.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 38 S 7.74 4.02 0.00 3.73 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 39 L 7.82 3.92 0.00 1.95 1.55 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.26 4.41 0.00 2.18 2.02 1.39 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.31 4.23 0.00 1.79 1.85 1.32 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.03 3.91 0.00 3.92 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 43 A 8.02 4.11 1.62 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 44 Q 8.35 3.89 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 45 I 8.42 3.77 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.92 0.00 0.00 46 T 7.90 4.52 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 1.21 0.00 0.00 47 G 7.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.74 4.40 0.00 2.07 2.15 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 2.69 2.58 0.00 49 T 8.41 4.59 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 1.18 0.00 0.00 50 V 8.56 4.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.81 0.00 0.00 51 T 8.30 4.86 4.13 0.00 0.00 0.00 0.00 0.00 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 52 I 8.21 4.45 1.49 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.37 -0.04 0.00 0.00 53 K 7.93 4.78 0.00 1.56 1.79 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.31 7.81 54 T 8.52 4.18 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 1.19 0.00 0.00 55 N 9.15 4.77 0.00 2.71 2.83 0.00 0.00 6.85 7.35 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 56 A 7.53 4.61 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 57 C 7.88 4.80 0.00 3.08 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 58 H 7.55 4.59 0.00 3.36 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.92 4.78 0.00 2.77 2.88 0.00 0.00 7.25 7.65 0.00 0.00 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 G 9.14 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 0.00 0.00 0.00 62 G 8.42 4.05 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 0.00 0.00 0.00 63 F 7.35 5.15 0.00 2.89 2.83 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 64 S 8.82 4.43 0.00 3.88 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 65 E 7.93 4.81 0.00 1.96 1.89 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 2.33 2.30 0.00 66 V 8.08 4.42 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 -0.02 0.00 0.00 1.13 0.00 0.00 67 I 8.49 4.40 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.91 0.00 0.00 68 F 8.80 4.69 0.00 2.88 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 69 R 8.47 4.27 0.00 1.75 1.85 0.00 3.17 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00