NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4554 8.3044 118.1942 54.7841 32.5514 175.1914 102 V 3.4398 8.3789 119.9559 64.7829 31.7482 174.4425 103 I 4.3203 7.8525 120.8518 59.3662 40.1090 174.1773 104 A 4.5583 9.0265 129.3259 50.6562 20.6260 178.1718 105 T 3.8832 8.5423 116.0578 66.9932 68.4295 176.4947 106 D 4.7858 7.9113 116.8159 54.4796 39.5118 176.3507 107 D 4.6346 7.9567 119.2012 55.2757 41.7063 176.7404 108 L 4.7591 8.3686 119.6995 55.2893 43.9541 176.3442 109 E 5.3443 8.0048 114.8389 54.7547 33.4845 174.7210 110 T 4.7503 8.9943 110.6552 59.7186 72.9809 173.1220 111 T 4.2542 8.6189 118.7071 64.3073 69.2239 173.5841 112 C 4.2654 8.8904 127.6040 58.9852 31.8856 172.8833 113 P 4.3706 0.0000 0.0000 65.6064 31.5870 177.6474 114 N 4.4534 8.3525 116.2041 55.9512 38.8567 175.4955 115 C 4.5251 8.0254 109.9466 56.9316 30.4298 173.0085 116 N 4.3763 9.2154 117.7517 54.7266 37.4126 174.8815 117 G 4.0421 8.5046 104.4355 44.7622 0.0000 175.4823 118 S 4.1143 7.6928 113.8509 59.3262 63.3785 175.8479 119 G 3.9678 8.4424 107.7401 45.1897 0.0000 172.6302 120 R 4.9062 7.6930 117.6210 54.4965 33.6171 175.3805 121 E 4.6707 9.0839 119.7082 59.4749 29.7049 175.4062 122 E 3.6857 6.9987 116.9190 54.0866 30.3653 175.7816 123 P 4.7917 0.0000 0.0000 62.8340 32.1591 175.0653 124 E 4.7873 7.7385 117.3746 54.0316 32.7380 173.8083 125 P 4.6444 0.0000 0.0000 62.6155 32.0184 175.8433 126 C 4.2181 8.7331 121.4246 58.9483 31.7925 173.1244 127 P 4.3425 0.0000 0.0000 64.9627 31.2269 177.4427 128 K 4.1685 8.0115 118.5268 57.9260 32.5521 176.7063 129 C 4.7559 7.8152 110.7373 56.6502 30.2679 173.7258 130 L 3.7455 8.9092 118.1250 55.9607 39.3290 175.7325 131 G 4.0038 8.4604 105.4197 45.3708 0.0000 175.4814 132 K 3.9831 8.1903 119.8323 57.4061 32.5046 179.0378 133 G 3.9961 8.8130 105.9209 45.4076 0.0000 172.7535 134 V 5.2046 7.1836 111.3201 59.5814 36.1113 174.2841 135 I 4.7242 8.7952 115.8157 58.9232 41.3211 174.3824 136 L 4.8681 8.4024 122.3442 54.6267 42.7574 177.1975 137 T 4.3623 8.4362 112.8954 60.6353 70.9634 175.6302 138 A 3.9550 8.6472 122.4317 55.3823 18.2781 179.3729 139 Q 4.0003 8.1510 117.6726 59.2913 29.0769 178.6649 140 G 3.6084 8.1414 106.6681 47.8364 0.0000 175.5477 141 S 4.1160 8.3779 116.1589 61.3456 62.5221 176.3090 142 T 3.9025 8.2561 118.7227 66.6906 68.2372 176.6206 143 L 4.0722 7.9695 120.7227 57.7365 41.6073 179.3225 144 L 3.9906 8.1912 120.4538 58.3988 42.0229 178.4147 145 H 4.0782 8.4259 118.1765 59.1620 29.9206 176.8717 146 F 4.2675 8.2029 121.8725 61.4906 39.1726 177.1048 147 I 3.4460 7.9592 119.2149 64.3037 36.8716 178.5654 148 K 3.8533 8.2366 119.5482 59.3230 31.6406 179.2047 149 K 3.6514 7.7813 118.7319 59.5506 32.1515 177.8575 150 H 4.3646 7.5829 113.8193 56.7930 28.8738 176.6038 151 I 4.1674 7.8857 120.5386 60.4441 37.4687 176.3227 152 H 3.9766 8.8803 115.2476 56.0087 27.0777 174.3773 153 E 4.0981 7.7498 124.9963 56.4064 31.0304 174.1441 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 101 M 8.30 4.46 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 102 V 8.38 3.44 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 0.78 0.00 0.00 0.92 0.00 0.00 103 I 7.85 4.32 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 104 A 9.03 4.56 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 0.00 105 T 8.54 3.88 4.24 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 1.21 0.00 0.00 106 D 7.91 4.79 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.96 4.63 0.00 2.87 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 0.00 108 L 8.37 4.76 0.00 1.70 1.68 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.00 5.34 0.00 2.08 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 2.40 2.28 0.00 110 T 8.99 4.75 4.24 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 1.21 0.00 0.00 111 T 8.62 4.25 4.24 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 1.21 0.00 0.00 112 C 8.89 4.27 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.37 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 114 N 8.35 4.45 0.00 2.72 2.92 0.00 0.00 6.79 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 0.00 115 C 8.03 4.53 0.00 3.16 3.13 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 0.00 116 N 9.22 4.38 0.00 2.83 2.88 0.00 0.00 7.36 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.50 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 0.00 118 S 7.69 4.11 0.00 4.03 4.01 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 0.00 0.00 0.00 119 G 8.44 3.97 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 0.00 0.00 0.00 120 R 7.69 4.91 0.00 1.79 1.81 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 121 E 9.08 4.67 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 122 E 7.00 3.69 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 123 P 0.00 4.79 0.00 2.17 2.12 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 124 E 7.74 4.79 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 125 P 0.00 4.64 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 C 8.73 4.22 0.00 2.96 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 0.00 127 P 0.00 4.34 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 128 K 8.01 4.17 0.00 1.71 1.83 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.42 7.81 129 C 7.82 4.76 0.00 3.23 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 0.00 130 L 8.91 3.75 0.00 1.75 1.76 0.92 1.39 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 0.00 131 G 8.46 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 0.00 0.00 0.00 0.00 132 K 8.19 3.98 0.00 1.88 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 133 G 8.81 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 0.00 0.00 0.00 0.00 134 V 7.18 5.20 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 0.73 0.00 0.00 0.99 0.00 0.00 135 I 8.80 4.72 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.91 0.00 0.00 136 L 8.40 4.87 0.00 1.56 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.44 4.36 4.24 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 1.21 0.00 0.00 138 A 8.65 3.96 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 0.00 139 Q 8.15 4.00 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 140 G 8.14 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.38 4.12 0.00 3.93 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 0.00 142 T 8.26 3.90 4.39 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 1.20 0.00 0.00 143 L 7.97 4.07 0.00 1.87 1.78 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.19 3.99 0.00 1.89 1.71 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.43 4.08 0.00 3.39 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.20 4.27 0.00 3.20 3.25 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 0.00 147 I 7.96 3.45 1.89 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 1.90 0.87 0.88 0.00 0.00 148 K 8.24 3.85 0.00 1.77 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 149 K 7.78 3.65 0.00 1.60 1.89 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.06 1.29 7.81 150 H 7.58 4.36 0.00 2.73 3.12 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.89 4.17 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.92 0.00 0.00 152 H 8.88 3.98 0.00 3.24 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.75 4.10 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00