NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1215 7.9133 120.3115 61.5751 33.8913 177.5444 4 K 3.7533 8.1273 120.1198 59.0495 31.9033 177.2393 5 Q 3.9849 8.3750 118.0662 59.2044 28.9521 178.8720 6 L 3.9331 7.8557 120.2118 57.9887 42.3037 178.4798 7 A 3.9803 8.0784 120.7543 55.3294 18.3208 179.3082 8 D 4.3009 8.4719 117.3986 57.4600 40.9298 178.8937 9 A 3.9968 7.9928 121.2418 55.2308 18.3148 179.8553 10 V 3.5491 8.0606 116.9737 66.0433 31.5731 177.8581 11 E 3.9368 8.3554 119.1395 59.3171 29.4076 178.6431 12 E 4.0025 8.3172 118.6824 59.2720 29.4114 179.1395 13 L 3.9106 8.1077 120.1948 57.9530 42.0869 178.7764 14 A 3.8238 8.2249 120.9801 55.3323 18.3415 179.8242 15 S 4.2872 8.3033 113.3645 61.7626 62.8420 176.7877 16 A 4.0892 8.2837 123.6304 55.3720 18.0422 179.5046 17 N 4.2930 8.4884 115.1835 56.4048 38.4874 177.3526 18 Y 4.2550 8.2064 118.6195 61.3482 37.9658 177.9904 19 H 4.2510 8.4913 119.2041 59.2153 29.8826 177.0843 20 L 3.8826 8.3043 122.1278 58.0287 41.8941 178.7681 21 A 3.9750 8.3739 121.1284 55.1063 18.3482 179.0168 22 N 4.2223 8.4940 115.4826 56.8520 39.0231 176.9112 23 A 3.9788 8.0834 122.0713 55.2322 18.4144 179.8119 24 V 3.5181 8.1037 116.7517 65.9532 31.5710 178.0292 25 A 4.0079 8.2312 120.7045 55.3176 18.2009 179.8402 26 R 3.8917 8.1097 116.5269 59.2323 30.0196 179.0393 27 L 3.9339 8.1008 120.0372 58.0507 41.9955 178.8650 28 A 3.9853 8.3970 121.1520 55.1123 18.4279 179.8024 29 K 3.8982 8.1678 116.7919 59.4251 31.8969 179.4570 30 A 3.9804 7.8939 120.0158 55.2816 18.4266 179.6026 31 V 3.7824 7.9495 115.9475 65.9997 31.7040 178.2050 32 G 3.7153 8.2905 104.3417 46.6506 0.0000 173.8622 33 E 4.3731 7.7770 124.7569 56.5082 29.8442 175.7180 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 3 V 7.91 4.12 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 0.79 0.00 0.00 0.93 0.00 0.00 4 K 8.13 3.75 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.59 7.81 5 Q 8.38 3.98 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 6 L 7.86 3.93 0.00 1.75 1.80 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.08 3.98 1.37 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 0.00 0.00 8 D 8.47 4.30 0.00 2.85 2.73 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 9 A 7.99 4.00 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 10 V 8.06 3.55 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 1.06 0.00 0.00 0.99 0.00 0.00 11 E 8.36 3.94 0.00 2.20 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 0.00 2.34 2.39 0.00 12 E 8.32 4.00 0.00 2.25 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 2.34 2.50 0.00 13 L 8.11 3.91 0.00 1.76 1.80 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.22 3.82 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 15 S 8.30 4.29 0.00 4.10 3.99 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 16 A 8.28 4.09 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 17 N 8.49 4.29 0.00 2.69 2.76 0.00 0.00 7.04 8.23 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 18 Y 8.21 4.26 0.00 3.19 2.88 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 19 H 8.49 4.25 0.00 3.37 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.30 3.88 0.00 1.85 1.81 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.37 3.98 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 22 N 8.49 4.22 0.00 2.88 3.06 0.00 0.00 7.13 8.00 0.00 0.00 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 A 8.08 3.98 1.31 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 0.00 0.00 24 V 8.10 3.52 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 1.08 0.00 0.00 0.96 0.00 0.00 25 A 8.23 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.89 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 27 L 8.10 3.93 0.00 1.75 1.84 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.40 3.99 1.37 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 0.00 0.00 29 K 8.17 3.90 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 30 A 7.89 3.98 1.37 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 0.00 0.00 31 V 7.95 3.78 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 0.84 0.00 0.00 0.96 0.00 0.00 32 G 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.37 0.00 2.12 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 2.29 2.47 0.00