NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2752 8.2993 120.1341 55.7080 34.2630 176.4338 2 P 4.0139 0.0000 0.0000 61.7103 31.2926 170.5521 3 V 3.4834 9.1550 123.1693 63.4697 32.7043 176.3288 4 S 4.7449 8.3627 121.7259 56.8229 66.0730 174.8918 5 L 4.1986 8.2663 125.2597 54.1169 40.3734 178.5331 6 S 3.7496 7.9699 117.1565 57.7992 61.8413 169.9397 7 Y 4.2862 8.4141 116.4150 57.1035 38.4789 175.3762 8 R 4.2366 8.3654 122.8842 55.4081 31.3195 176.4881 9 C 4.6604 8.5628 121.8719 55.7809 40.3425 171.8320 10 P 4.1939 0.0000 0.0000 65.1016 31.1207 177.3288 11 C 4.7358 8.0635 115.6953 55.8130 40.3660 173.2512 12 R 4.0818 8.5252 123.3457 56.0691 31.5744 176.4030 13 F 4.9018 7.8368 114.6386 55.5366 43.0073 173.4416 14 F 5.3177 7.9896 116.6219 55.1557 41.0651 173.7725 15 E 4.7321 9.2061 121.5232 55.2285 30.8051 177.4050 16 S 4.5487 8.8088 118.4205 59.5252 63.9305 174.4378 17 H 4.8926 8.0242 117.6132 53.3723 27.9623 171.7059 18 V 4.3795 7.9509 119.4407 60.5509 34.4035 174.6076 19 A 4.1337 8.3826 130.0247 50.7624 20.0146 177.5063 20 R 2.5100 7.3176 122.7464 58.8788 29.9350 178.4111 21 A 3.8954 7.5271 118.6711 54.4655 18.6600 177.1981 22 N 4.6534 8.5105 113.8460 53.1639 39.0146 173.7483 23 V 4.6858 7.2344 116.7815 61.2689 33.0501 175.7609 24 K 4.3791 9.0017 127.5047 59.1903 32.9159 176.4874 25 H 4.7977 7.2971 112.6424 55.7171 31.0330 173.0987 26 L 5.3993 8.9714 118.3436 52.9491 44.7459 176.1687 27 K 4.6143 9.3822 120.9980 54.7564 35.4112 175.2591 28 I 4.7240 8.3584 126.0102 59.3859 38.1719 175.5010 29 L 4.0270 8.6653 128.3396 54.1866 42.0926 178.2589 30 N 4.6061 8.2820 123.2298 52.6513 37.9123 175.8197 31 T 4.1081 6.9090 111.8704 58.3956 69.1773 173.2580 32 P 4.1341 0.0000 0.0000 66.6601 31.8638 177.2848 33 N 4.7679 8.8882 112.3764 53.2150 37.3981 174.0766 34 C 4.7152 7.9986 116.5573 55.9142 41.5142 173.9966 35 A 3.8953 8.6326 126.1697 54.0773 18.2973 177.5822 36 L 4.6719 7.8262 115.3134 53.4854 43.4265 175.8272 37 Q 4.6686 8.6301 120.6439 55.2779 31.4374 174.5508 38 I 4.8619 7.7023 121.1567 59.4398 39.9678 174.5844 39 V 4.9323 8.9001 126.5888 60.9266 34.8639 173.9102 40 A 5.1713 9.1061 128.5439 50.1182 22.3575 174.8849 41 R 4.6811 8.5371 122.6544 54.9365 31.6534 175.5766 42 L 4.6537 8.9165 127.5756 54.4796 41.5919 178.3173 43 K 3.8692 9.3303 125.5106 59.5748 32.6008 178.7917 44 N 4.4550 8.3784 114.7920 55.3440 36.9208 175.1087 45 N 4.7890 7.7280 111.7338 51.0315 38.2118 173.6620 46 N 4.8331 7.5046 115.3842 54.0503 38.2331 173.4823 47 R 4.7395 8.2599 114.2681 54.1840 33.1589 175.1838 48 Q 5.1031 8.4882 119.7713 55.0712 30.4447 175.6930 49 V 4.6443 8.4866 115.1694 59.9184 36.6501 173.9014 50 C 5.1596 8.9006 120.9340 56.5511 41.6700 172.6925 51 I 5.1436 8.2134 115.8620 58.5630 40.5942 174.7045 52 D 3.4949 8.7100 123.6026 53.6419 41.2704 175.4402 53 P 4.1502 0.0000 0.0000 64.7271 31.4482 176.9883 54 K 4.1702 7.9856 117.8565 56.0078 32.4876 176.6547 55 L 3.8961 7.4180 121.5900 54.4903 41.6951 178.1349 56 K 3.8836 8.8318 124.0277 59.3328 31.9711 179.2174 57 W 4.3546 8.0949 116.1422 59.2956 27.9064 178.3215 58 I 3.3039 6.8407 121.1742 64.0767 36.4262 177.8699 59 Q 3.9209 7.6403 120.1696 59.1618 28.8934 178.0833 60 E 3.9673 8.2118 119.7107 59.4255 29.2834 177.6939 61 Y 4.2120 8.4164 119.6900 61.1088 38.9823 178.4070 62 L 4.1131 8.4510 119.8554 57.6764 41.7699 179.2768 63 E 3.9928 8.3454 118.6499 59.4470 29.4123 179.5913 64 K 3.9771 8.2129 118.2424 59.3600 31.8616 179.2996 65 A 3.9488 7.4923 119.7003 54.5430 18.3209 178.6621 66 L 4.2811 7.4688 114.5111 54.0046 41.9873 176.4080 67 N 4.1729 7.8041 115.1453 54.0075 36.8872 174.2032 68 K 4.1324 7.7897 123.8267 56.5588 32.2046 175.8683 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 K 8.30 4.28 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 2 P 0.00 4.01 0.00 2.25 2.09 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 3 V 9.15 3.48 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 0.81 0.00 0.00 0.95 0.00 0.00 4 S 8.36 4.74 0.00 3.84 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 5 L 8.27 4.20 0.00 1.55 1.56 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.97 3.75 0.00 3.93 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.41 4.29 0.00 3.13 2.93 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 8 R 8.37 4.24 0.00 1.80 1.89 0.00 3.41 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 9 C 8.56 4.66 0.00 3.00 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 10 P 0.00 4.19 0.00 2.07 2.15 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 11 C 8.06 4.74 0.00 3.18 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 12 R 8.53 4.08 0.00 1.53 1.44 0.00 3.27 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 13 F 7.84 4.90 0.00 2.96 2.75 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 14 F 7.99 5.32 0.00 3.00 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 15 E 9.21 4.73 0.00 2.11 1.99 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 2.32 2.46 0.00 16 S 8.81 4.55 0.00 3.89 3.88 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 17 H 8.02 4.89 0.00 3.18 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.95 4.38 2.34 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 0.96 0.00 0.00 1.04 0.00 0.00 19 A 8.38 4.13 1.13 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 0.00 0.00 0.00 20 R 7.32 2.51 0.00 0.67 1.33 0.00 3.34 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 0.00 21 A 7.53 3.90 1.18 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 0.00 0.00 22 N 8.51 4.65 0.00 2.65 2.81 0.00 0.00 6.53 8.17 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 23 V 7.23 4.69 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 0.89 0.00 0.00 0.96 0.00 0.00 24 K 9.00 4.38 0.00 1.62 1.87 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 25 H 7.30 4.80 0.00 3.22 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.97 5.40 0.00 1.69 1.64 0.72 0.87 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 27 K 9.38 4.61 0.00 1.66 1.70 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.49 7.81 28 I 8.36 4.72 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.90 0.00 0.00 29 L 8.67 4.03 0.00 1.51 1.58 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.28 4.61 0.00 2.60 2.65 0.00 0.00 6.82 7.70 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 31 T 6.91 4.11 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 1.13 0.00 0.00 32 P 0.00 4.13 0.00 2.12 2.20 0.00 3.32 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 33 N 8.89 4.77 0.00 2.81 3.02 0.00 0.00 7.11 7.68 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 34 C 8.00 4.72 0.00 3.19 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 35 A 8.63 3.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.67 0.00 1.78 1.64 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.63 4.67 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 38 I 7.70 4.86 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.82 0.00 0.00 39 V 8.90 4.93 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 1.05 0.00 0.00 0.96 0.00 0.00 40 A 9.11 5.17 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 41 R 8.54 4.68 0.00 1.79 1.39 0.00 3.23 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 42 L 8.92 4.65 0.00 1.78 1.56 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.33 3.87 0.00 1.82 1.76 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.36 7.81 44 N 8.38 4.45 0.00 2.84 2.94 0.00 0.00 5.80 8.04 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 45 N 7.73 4.79 0.00 2.81 2.91 0.00 0.00 7.00 8.13 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 46 N 7.50 4.83 0.00 3.00 2.91 0.00 0.00 7.05 7.53 0.00 0.00 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 8.26 4.74 0.00 1.89 1.81 0.00 3.33 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 48 Q 8.49 5.10 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 49 V 8.49 4.64 2.14 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 0.77 0.00 0.00 0.99 0.00 0.00 50 C 8.90 5.16 0.00 3.24 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 51 I 8.21 5.14 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.99 0.00 0.00 52 D 8.71 3.49 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.15 0.00 2.06 2.01 0.00 3.10 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 54 K 7.99 4.17 0.00 1.66 1.76 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 55 L 7.42 3.90 0.00 1.20 0.87 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.83 3.88 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.49 7.81 57 W 8.09 4.35 0.00 3.56 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 58 I 6.84 3.30 1.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.36 0.69 0.00 0.00 59 Q 7.64 3.92 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 60 E 8.21 3.97 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 61 Y 8.42 4.21 0.00 3.56 3.31 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 0.00 0.00 0.00 0.00 62 L 8.45 4.11 0.00 1.77 1.73 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 3.99 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 64 K 8.21 3.98 0.00 1.88 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 65 A 7.49 3.95 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 66 L 7.47 4.28 0.00 1.80 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.80 4.17 0.00 2.82 2.87 0.00 0.00 6.78 7.23 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 68 K 7.79 4.13 0.00 1.72 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.36 7.81