NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3142 8.1585 120.3366 55.5078 34.6331 177.5983 2 A 4.0286 7.9689 120.8705 53.6737 18.7554 177.9981 3 K 3.8766 9.1009 117.4305 59.3878 33.3078 176.1790 4 E 3.8346 7.9094 117.1101 57.3983 29.8726 177.0536 5 F 4.7440 7.3115 114.1956 56.1493 40.4715 175.9154 6 G 4.0437 8.0151 108.3545 46.3290 0.0000 173.6827 7 I 4.0755 7.6561 121.5996 59.4033 37.6176 174.3471 8 P 4.3651 0.0000 0.0000 62.1578 33.2518 177.0656 9 A 3.9815 8.6721 122.0899 55.5558 18.3780 180.1357 10 A 3.9954 7.9686 118.6069 55.1793 18.4207 179.9761 11 V 3.4938 7.7228 115.9943 66.1066 31.7564 177.8664 12 A 4.1167 8.2924 120.8948 55.2611 18.2149 179.8586 13 G 3.5602 8.6293 104.5546 48.1047 0.0000 176.0311 14 T 3.8687 7.8301 117.8614 66.4338 68.5500 176.7109 15 V 3.6098 7.9576 120.1397 66.2585 31.4815 178.1271 16 L 4.1033 8.2293 118.6335 57.6967 41.3882 179.2527 17 N 4.3238 8.3719 116.7555 56.1861 38.4207 177.4900 18 V 3.5565 7.9653 119.7372 65.8784 31.5823 178.1317 19 V 3.5892 7.8444 117.8429 66.3472 31.2201 178.0195 20 E 4.0542 8.2599 116.3867 58.7606 29.3626 178.2830 21 A 4.3549 8.0225 118.6959 51.5788 18.9604 177.3135 22 G 3.7267 8.0006 105.4400 46.3157 0.0000 174.6443 23 G 3.7714 8.1501 109.6970 44.0465 0.0000 174.6202 24 W 4.7113 8.1772 118.5822 56.1489 30.9825 177.7316 25 V 3.7076 8.6403 122.0048 66.5019 30.8913 178.5115 26 T 3.9312 8.0495 108.9961 65.1921 68.5018 176.3924 27 T 3.9399 8.0033 117.9930 66.4613 68.5730 176.6043 28 I 3.7523 7.6930 121.3555 64.3521 37.0797 178.6465 29 V 3.6012 8.2207 119.5279 66.0908 31.3531 178.2134 30 S 4.1337 8.4280 115.1793 61.7180 62.7444 176.8177 31 I 3.7474 7.8156 122.4197 64.3905 36.8471 178.5844 32 L 4.0171 8.1229 120.1649 57.8951 41.3055 179.6551 33 T 3.8586 8.3283 110.0397 64.7845 68.4678 176.5213 34 A 4.0687 7.9455 122.8918 54.4572 18.4703 179.5551 35 V 3.7557 7.5504 116.7551 64.6591 32.3253 175.1141 36 G 3.9132 8.0809 104.9592 44.0952 0.0000 174.5085 37 S 4.2659 8.9799 113.1157 61.3640 63.0018 176.6533 38 G 4.0368 7.5471 110.7536 47.1060 0.0000 175.8965 39 G 4.0647 7.8571 108.9612 47.0425 0.0000 175.7253 40 L 3.9959 7.9912 121.2840 57.6094 41.5712 179.7967 41 S 4.0782 7.9254 115.3249 61.2665 62.8175 176.4127 42 L 2.8793 7.0971 122.5851 57.7849 41.5221 179.0062 43 L 3.8591 7.4816 117.4802 57.7132 41.6049 179.1287 44 A 4.0385 7.8652 120.5747 54.9314 18.0700 179.5644 45 A 3.9213 7.6466 118.3831 55.0263 18.5511 179.4383 46 A 2.7498 7.4676 119.3214 53.7232 18.5387 178.5890 47 G 3.9080 7.7422 105.4784 46.8662 0.0000 174.4610 48 R 4.3130 8.4516 125.2938 55.8969 30.2811 175.9953 49 E 4.1386 7.5677 118.0760 55.6342 30.4170 176.9311 50 S 4.1301 8.7260 119.4143 59.0013 63.8660 175.2359 51 I 3.7689 8.4937 127.8899 63.8578 37.7363 178.0218 52 K 3.9592 8.0931 120.0214 59.5749 32.2248 178.5239 53 A 4.0399 7.9807 120.7662 55.1503 18.2284 178.9932 54 Y 4.0496 8.2806 118.1414 61.0397 38.9013 178.3862 55 L 3.9799 8.2686 119.8167 57.4386 41.5876 179.6090 56 K 3.9286 8.2295 118.8098 59.3124 31.9990 179.2516 57 K 3.8548 8.0939 119.8721 59.4048 32.0146 178.6828 58 E 3.6180 7.9546 118.9249 59.3941 29.2231 179.4737 59 I 3.6396 7.8536 119.9037 64.0704 36.9120 178.2143 60 K 3.7964 7.9451 119.7275 59.5298 32.0477 178.4036 61 K 4.1372 7.7285 116.9540 58.0215 32.3629 178.4097 62 K 4.2801 8.3391 117.3418 54.6359 33.9924 177.6523 63 G 4.0696 7.7712 104.9881 45.7222 0.0000 174.0982 64 K 3.8338 8.6936 121.8948 59.4264 32.1272 179.0155 65 R 3.8775 8.0558 118.0305 59.6820 29.9401 178.2087 66 A 4.1000 7.9489 119.8346 54.8858 18.2108 179.6463 67 V 3.6964 7.7469 116.4338 66.2291 32.0430 177.9743 68 I 3.9403 8.2954 119.8002 64.4356 36.9048 178.2620 69 A 4.0689 8.1421 121.6225 54.7791 18.1840 177.3028 70 W 4.3036 8.6687 131.7567 57.7644 30.8156 175.4843 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 M 8.16 4.31 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 2.65 0.00 2 A 7.97 4.03 1.35 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 0.00 0.00 3 K 9.10 3.88 0.00 1.69 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.37 7.81 4 E 7.91 3.83 0.00 1.16 1.12 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 0.00 2.01 1.99 0.00 5 F 7.31 4.74 0.00 3.13 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 6 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 7 I 7.66 4.08 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.92 0.00 0.00 8 P 0.00 4.37 0.00 2.16 1.97 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 9 A 8.67 3.98 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 10 A 7.97 4.00 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 11 V 7.72 3.49 2.22 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 1.12 0.00 0.00 0.94 0.00 0.00 12 A 8.29 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.83 3.87 4.40 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 1.21 0.00 0.00 15 V 7.96 3.61 2.26 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 1.08 0.00 0.00 0.98 0.00 0.00 16 L 8.23 4.10 0.00 1.76 1.73 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.37 4.32 0.00 2.89 2.86 0.00 0.00 6.56 7.29 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 18 V 7.97 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 19 V 7.84 3.59 2.28 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 1.00 0.00 0.00 1.02 0.00 0.00 20 E 8.26 4.05 0.00 1.97 2.00 0.00 0.00 0.00 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 2.55 0.00 21 A 8.02 4.35 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.00 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.15 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 24 W 8.18 4.71 0.00 3.43 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 25 V 8.64 3.71 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 1.18 0.00 0.00 0.99 0.00 0.00 26 T 8.05 3.93 4.29 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 1.15 0.00 0.00 27 T 8.00 3.94 4.50 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 1.23 0.00 0.00 28 I 7.69 3.75 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.95 0.00 0.00 29 V 8.22 3.60 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 1.12 0.00 0.00 0.99 0.00 0.00 30 S 8.43 4.13 0.00 4.12 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 31 I 7.82 3.75 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.92 0.00 0.00 32 L 8.12 4.02 0.00 1.67 1.66 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.33 3.86 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 1.27 0.00 0.00 34 A 7.95 4.07 1.36 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 0.00 0.00 35 V 7.55 3.76 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 0.85 0.00 0.00 0.93 0.00 0.00 36 G 8.08 3.91 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 0.00 0.00 0.00 37 S 8.98 4.27 0.00 4.06 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 38 G 7.55 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 39 G 7.86 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 0.00 0.00 0.00 40 L 7.99 4.00 0.00 1.84 1.68 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.93 4.08 0.00 4.06 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 42 L 7.10 2.88 0.00 0.76 1.41 0.81 0.36 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 43 L 7.48 3.86 0.00 1.76 1.64 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.87 4.04 1.34 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 45 A 7.65 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.47 2.75 0.98 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 0.00 0.00 47 G 7.74 3.91 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 0.00 0.00 0.00 48 R 8.45 4.31 0.00 1.76 1.91 0.00 3.23 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 49 E 7.57 4.14 0.00 1.97 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 2.39 2.30 0.00 50 S 8.73 4.13 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.77 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.95 0.00 0.00 52 K 8.09 3.96 0.00 1.92 1.84 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.56 7.81 53 A 7.98 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 4.05 0.00 3.16 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 55 L 8.27 3.98 0.00 1.82 1.76 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.23 3.93 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.72 7.81 57 K 8.09 3.85 0.00 1.77 1.81 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.38 7.81 58 E 7.95 3.62 0.00 1.94 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 59 I 7.85 3.64 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.93 0.00 0.00 60 K 7.95 3.80 0.00 1.77 1.98 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 61 K 7.73 4.14 0.00 1.63 1.73 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.59 7.81 62 K 8.34 4.28 0.00 1.64 1.72 0.00 1.13 0.00 0.00 1.38 0.00 0.00 2.67 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.18 1.14 7.81 63 G 7.77 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 64 K 8.69 3.83 0.00 1.84 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 65 R 8.06 3.88 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.95 4.10 1.35 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 0.00 0.00 67 V 7.75 3.70 2.27 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 1.09 0.00 0.00 0.86 0.00 0.00 68 I 8.30 3.94 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.96 0.00 0.00 69 A 8.14 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 4.30 0.00 3.38 3.37 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