NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6614 8.3049 120.3305 55.2788 34.5011 176.0086 2 K 4.1953 7.8817 122.6848 57.3963 31.4026 172.9075 3 E 3.7097 8.5106 126.9956 55.2195 28.3984 172.3669 4 G 3.4185 7.3255 116.4074 45.1011 0.0000 173.9173 5 I 4.4658 7.2438 110.5649 59.7436 37.4833 173.4509 6 H 5.0065 8.0802 118.8593 54.8382 31.4107 172.7886 7 P 4.4974 0.0000 0.0000 62.8907 31.3104 176.5614 8 K 4.2781 8.4223 124.4607 56.2225 31.6603 174.1235 9 L 4.3148 7.5873 119.9431 55.3554 39.1579 171.5072 10 V 4.5287 7.4563 121.1342 59.5740 33.8981 172.7472 11 P 4.8144 0.0000 0.0000 64.0244 31.7740 174.8318 12 A 4.7713 9.3831 122.2084 50.9646 23.4287 174.9051 13 R 4.7434 8.4095 115.2542 54.6598 32.4105 175.5918 14 I 4.2024 9.4848 124.6987 60.0105 37.2024 174.8060 15 I 4.1142 8.4552 130.7484 59.9983 34.8483 174.6771 16 C 4.2416 7.9835 126.8354 59.5383 32.1342 173.7235 17 G 3.9316 8.3809 106.7931 46.9752 0.0000 174.2580 18 C 4.4878 7.8741 115.6167 57.9178 29.3700 172.6450 19 G 3.8594 6.5998 109.6178 46.4670 0.0000 174.4806 20 N 3.7628 6.5068 125.2029 49.9612 37.1760 173.0335 21 V 5.0758 7.7805 124.5687 60.8947 31.6321 175.3226 22 I 4.2051 8.1636 129.0874 61.0688 38.9553 174.8405 23 E 4.8654 8.3435 124.6275 54.7989 32.1174 173.7997 24 T 3.8057 8.4137 119.8536 61.6639 75.0039 172.0813 25 Y 5.0925 8.7094 119.0050 55.5283 43.3247 175.4424 26 S 4.6484 8.4596 123.6345 58.6995 64.5964 178.2500 27 T 4.0670 9.1077 112.4267 62.1022 69.8681 168.3017 28 K 3.8776 8.4526 135.0000 55.5068 29.9923 176.1006 29 P 4.6648 0.0000 0.0000 62.4395 30.9337 177.1254 30 E 4.3773 8.4844 115.7291 54.9378 29.1417 176.6202 31 I 4.1229 7.3700 120.5055 60.3201 38.5067 177.4860 32 Y 5.2507 8.1046 128.2932 55.5404 34.6770 174.8907 33 V 3.8034 7.6112 122.5603 63.5063 33.0111 176.2785 34 E 4.6437 8.4054 118.9685 57.4798 31.3497 176.5268 35 V 4.4339 7.0672 113.5527 62.5534 35.0157 171.4774 36 C 4.7166 8.0714 122.1616 58.0562 29.8955 177.6512 37 S 4.5914 8.6380 109.1570 56.1743 60.6711 174.4169 38 K 4.4468 7.4200 117.3717 55.8888 32.8738 175.3558 39 C 4.6890 8.5065 118.3434 58.2765 32.0573 170.1903 40 H 4.5198 8.6097 128.0929 54.1722 30.3913 173.8193 41 P 4.0917 0.0000 0.0000 62.0871 32.3415 174.2475 42 F 4.7831 7.8320 112.7506 57.2544 39.7500 171.3168 43 Y 4.0237 9.2984 118.6031 55.0198 40.5720 176.8034 44 T 3.2686 8.3178 104.7401 63.0017 68.8549 171.9506 45 G 4.3589 8.1753 114.5824 44.3582 0.0000 171.2082 46 Q 4.6433 8.2078 118.2715 55.2974 32.6015 175.4472 47 Q 4.5827 7.2944 119.0883 58.0594 32.9201 173.2860 48 R 4.3582 8.8576 114.8697 58.7353 33.0058 172.0349 49 F 3.7154 8.8027 119.1943 56.8401 37.9080 174.6599 50 V 3.5732 8.2241 122.1050 64.9937 31.6014 178.5865 51 D 4.8275 8.2016 118.5200 55.0817 39.8442 173.8412 52 T 4.2502 8.9225 109.4833 60.2959 67.5842 172.8171 53 E 4.6138 8.0228 125.6081 55.7479 32.6484 175.7314 54 G 3.7283 8.9040 115.5838 47.5198 0.0000 174.2950 55 R 4.4194 8.8027 119.1768 55.3147 28.6119 177.0552 56 V 3.8398 7.4593 115.3969 64.6167 32.5982 174.9872 57 E 4.2424 7.8706 124.4046 56.9468 29.8156 174.8818 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 8.30 4.66 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 2 K 7.88 4.20 0.00 1.79 1.48 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 E 8.51 3.71 0.00 2.16 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 0.00 2.23 2.29 0.00 4 G 7.33 3.42 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 0.00 5 I 7.24 4.47 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.93 0.00 0.00 6 H 8.08 5.01 0.00 3.09 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.86 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 4.50 0.00 2.06 2.09 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 K 8.42 4.28 0.00 1.91 2.00 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.41 7.81 9 L 7.59 4.31 0.00 1.83 1.70 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.46 4.53 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 1.00 0.00 0.00 0.95 0.00 0.00 11 P 0.00 4.81 0.00 2.11 2.36 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 12 A 9.38 4.77 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.41 4.74 0.00 1.76 1.95 0.00 3.06 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 14 I 9.48 4.20 1.93 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 0.56 0.88 0.00 0.00 15 I 8.46 4.11 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.48 0.79 0.00 0.00 16 C 7.98 4.24 0.00 3.18 2.94 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 0.00 0.00 0.00 0.00 17 G 8.38 3.93 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 0.00 0.00 0.00 18 C 7.87 4.49 0.00 3.08 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 19 G 6.60 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 0.00 0.00 0.00 20 N 6.51 3.76 0.00 2.79 2.72 0.00 0.00 6.52 7.71 0.00 0.00 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 V 7.78 5.08 2.04 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 0.94 0.00 0.00 0.97 0.00 0.00 22 I 8.16 4.21 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.89 0.00 0.00 23 E 8.34 4.87 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.34 0.00 24 T 8.41 3.81 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 1.15 0.00 0.00 25 Y 8.71 5.09 0.00 2.83 2.97 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 0.00 0.00 0.00 0.00 26 S 8.46 4.65 0.00 3.99 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 27 T 9.11 4.07 4.27 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 1.23 0.00 0.00 28 K 8.45 3.88 0.00 2.08 1.94 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.53 7.81 29 P 0.00 4.66 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 30 E 8.48 4.38 0.00 1.88 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 0.00 2.41 2.58 0.00 31 I 7.37 4.12 1.98 0.00 0.00 0.84 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 0.42 0.89 0.00 0.00 32 Y 8.10 5.25 0.00 2.77 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 33 V 7.61 3.80 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 1.05 0.00 0.00 0.94 0.00 0.00 34 E 8.41 4.64 0.00 2.09 1.93 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 2.29 2.31 0.00 35 V 7.07 4.43 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 0.73 0.00 0.00 0.89 0.00 0.00 36 C 8.07 4.72 0.00 3.06 2.40 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 37 S 8.64 4.59 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.42 4.45 0.00 1.67 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 39 C 8.51 4.69 0.00 2.94 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 40 H 8.61 4.52 0.00 3.39 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.09 0.00 1.97 1.84 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 42 F 7.83 4.78 0.00 3.40 3.17 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 43 Y 9.30 4.02 0.00 3.19 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 44 T 8.32 3.27 4.27 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 1.36 0.00 0.00 45 G 8.18 4.36 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 0.00 46 Q 8.21 4.64 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 47 Q 7.29 4.58 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 48 R 8.86 4.36 0.00 1.96 1.92 0.00 3.03 0.00 0.00 3.26 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 49 F 8.80 3.72 0.00 3.20 3.17 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 50 V 8.22 3.57 2.16 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 1.04 0.00 0.00 0.93 0.00 0.00 51 D 8.20 4.83 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.92 4.25 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 53 E 8.02 4.61 0.00 1.91 1.83 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 2.17 2.22 0.00 54 G 8.90 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 55 R 8.80 4.42 0.00 1.87 2.00 0.00 3.12 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.05 0.00 56 V 7.46 3.84 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 0.79 0.00 0.00 0.98 0.00 0.00 57 E 7.87 4.24 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00