NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 102 R 4.1496 8.2393 120.8641 55.7440 30.9226 175.7893 103 R 4.0638 8.1826 122.1357 53.3438 31.5178 175.1628 104 P 4.4641 0.0000 0.0000 66.4662 31.4524 179.6836 105 E 4.0746 8.1863 117.1522 58.3349 29.5126 178.4698 106 E 3.8690 8.0776 120.3885 58.9050 29.7658 178.3630 107 W 4.5616 7.7604 117.9791 59.6661 29.0130 178.5288 108 G 3.7601 8.3016 105.6766 47.8227 0.0000 175.3155 109 K 3.9811 8.2347 122.7213 59.3804 32.2576 178.8005 110 L 4.1588 7.9310 118.6036 57.6425 41.6432 179.2955 111 I 3.2675 8.5249 120.2429 64.6722 37.0963 177.7567 112 Y 3.9972 8.4044 120.4375 60.6920 38.5694 177.9377 113 Q 3.8585 8.3939 120.5754 58.7710 29.3360 177.9896 114 W 4.1168 8.1211 128.9377 60.3810 30.6580 178.0239 115 V 2.8766 7.4528 117.8197 65.9314 30.5896 178.1503 116 S 4.1177 7.7881 116.2853 60.9541 62.4055 177.0077 117 R 3.8437 7.5409 117.5228 58.7854 29.3230 178.0433 118 S 4.1825 7.1475 110.7946 57.7886 63.1342 173.1667 119 G 3.6600 7.5838 107.9134 47.9427 0.0000 173.8709 120 Q 4.7024 7.3409 112.5313 54.4876 29.4752 177.9422 121 N 4.5461 8.1800 115.8508 55.4534 38.6279 175.4001 122 N 5.4041 7.6381 114.7202 51.9307 40.2609 174.5277 123 S 4.4694 8.6176 115.1539 58.0056 64.7232 173.4361 124 V 4.6063 7.9614 122.7307 61.6403 32.7964 174.9883 125 F 5.3547 9.3669 125.9051 55.8141 43.2503 174.6882 126 T 4.6769 9.0979 111.8663 61.0701 69.7104 175.8859 127 L 4.0145 8.6093 123.9297 58.1625 41.5984 179.3301 128 Y 4.0910 8.1142 119.1574 60.7824 38.8233 178.0059 129 E 4.1272 8.7487 118.6055 59.2643 29.3364 179.1053 130 L 3.8918 7.5951 119.5950 57.3291 41.9884 178.6087 131 T 4.3713 7.3846 106.0583 61.9034 69.2881 175.3772 132 N 4.5359 7.7060 115.4776 52.5785 42.1567 174.7586 133 G 3.9244 7.7813 108.7263 44.7961 0.0000 174.2366 134 E 4.3626 8.6067 116.0482 56.8938 30.1050 176.8114 135 D 4.6437 8.0677 118.8410 55.5684 42.1079 176.6217 136 T 4.1951 7.3903 106.2884 60.9934 69.1593 175.7389 137 E 3.4484 8.1925 122.9798 59.7671 29.4011 177.7004 138 D 4.6704 7.7123 114.8175 54.0139 41.0510 176.2985 139 E 3.9874 7.6423 120.2971 55.3998 30.1702 177.3871 140 E 3.8404 8.0019 121.0558 58.3966 30.1539 177.3331 141 F 4.1686 6.8916 111.9722 56.8729 38.7329 174.8207 142 H 4.1347 6.8374 122.2266 58.1177 29.7050 175.1469 143 G 3.8184 8.8585 116.1690 44.7378 0.0000 173.4993 144 L 3.7337 7.0667 122.0537 54.7659 42.7365 176.9533 145 D 4.5088 8.2358 125.2146 53.0324 41.6104 177.1683 146 E 3.9081 8.7528 121.3215 59.1834 29.5666 179.2876 147 A 3.9417 7.9527 120.5200 55.5325 18.5816 179.5544 148 T 3.8322 7.9701 114.0033 66.5362 68.3999 176.6900 149 L 3.8051 7.8471 122.2457 58.0285 42.1299 178.5752 150 L 3.9180 8.1131 120.5012 58.4191 41.9465 179.2863 151 R 3.9103 8.0738 117.5476 59.1432 30.0312 178.6592 152 A 4.1957 8.2211 120.7183 55.4620 18.2704 179.7357 153 L 3.9957 8.2700 117.5531 58.0742 41.7004 179.7475 154 Q 3.9781 8.2361 117.8132 58.8277 28.4509 178.7790 155 A 4.0064 8.2029 121.8550 55.0831 18.3427 179.6683 156 L 3.8925 7.9133 117.5053 58.0211 41.7479 179.4726 157 Q 4.5438 8.3237 121.1265 58.8756 28.6995 178.4533 158 Q 3.9827 7.9536 118.1932 58.5033 28.7271 177.5621 159 E 4.3432 7.4829 117.2980 55.5914 29.5856 175.9042 160 H 4.1051 7.5128 114.4246 57.0148 26.9853 175.5019 161 K 4.7047 8.2969 118.0980 56.7472 33.7362 175.8877 162 A 5.1901 7.7807 120.6955 50.7298 23.2498 174.6487 163 E 4.8601 9.3881 120.0786 54.4590 32.8187 174.8046 164 I 4.4190 8.5455 128.2493 61.1956 38.3730 175.2898 165 I 4.5660 8.6675 127.9325 59.6442 39.8495 174.6647 166 T 4.6645 8.5659 117.3987 60.3943 70.1907 174.9372 167 V 4.1016 8.0135 120.8853 60.0610 34.0032 179.9291 168 S 3.2066 8.8436 119.1103 58.6501 65.9092 174.4491 169 D 4.6108 9.1280 120.7369 50.7523 38.6724 175.9082 170 G 4.0051 6.1419 106.6616 45.9578 0.0000 170.2907 171 R 4.8494 7.8745 116.8906 54.5720 34.7039 174.9673 172 G 4.6352 8.8859 108.0133 45.2573 0.0000 171.2626 173 V 4.9245 8.9321 117.8130 60.1501 35.1583 173.2909 174 K 4.8830 9.0067 124.4490 54.7574 34.9480 174.9430 175 F 5.1302 8.3513 125.2950 56.1407 41.7233 176.0437 176 F 5.2332 9.0281 118.9867 56.7579 39.3708 174.9072 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 102 R 8.24 4.15 0.00 1.59 1.58 0.00 2.21 0.00 0.00 2.65 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.26 0.00 103 R 8.18 4.06 0.00 2.17 2.06 0.00 3.00 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 104 P 0.00 4.46 0.00 2.34 2.43 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 105 E 8.19 4.07 0.00 2.23 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 0.00 2.37 2.36 0.00 106 E 8.08 3.87 0.00 1.89 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 2.29 2.20 0.00 107 W 7.76 4.56 0.00 3.65 3.14 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 0.00 108 G 8.30 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.23 3.98 0.00 1.92 2.01 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 110 L 7.93 4.16 0.00 2.06 2.00 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.52 3.27 2.02 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 0.69 1.03 0.66 0.00 0.00 112 Y 8.40 4.00 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.86 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 114 W 8.12 4.12 0.00 3.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 2.88 1.56 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 0.69 0.00 0.00 -0.08 0.00 0.00 116 S 7.79 4.12 0.00 3.59 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 3.84 0.00 1.90 1.98 0.00 3.04 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 118 S 7.15 4.18 0.00 3.54 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 0.00 119 G 7.58 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 7.34 4.70 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 121 N 8.18 4.55 0.00 2.74 2.89 0.00 0.00 6.76 6.92 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 0.00 122 N 7.64 5.40 0.00 2.54 2.75 0.00 0.00 7.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.62 4.47 0.00 4.03 3.36 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 0.00 124 V 7.96 4.61 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 0.83 0.00 0.00 0.89 0.00 0.00 125 F 9.37 5.35 0.00 3.17 3.04 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 0.00 126 T 9.10 4.68 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 1.29 0.00 0.00 127 L 8.61 4.01 0.00 1.78 1.78 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.11 4.09 0.00 3.08 2.99 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 0.00 129 E 8.75 4.13 0.00 2.37 2.39 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 2.84 2.67 0.00 130 L 7.60 3.89 0.00 1.73 1.54 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.38 4.37 4.11 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 0.00 0.00 1.09 0.00 0.00 132 N 7.71 4.54 0.00 1.44 1.67 0.00 0.00 6.92 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.78 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 0.00 0.00 0.00 134 E 8.61 4.36 0.00 2.11 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 2.32 2.34 0.00 135 D 8.07 4.64 0.00 2.82 2.98 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 0.00 136 T 7.39 4.20 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 137 E 8.19 3.45 0.00 1.87 1.91 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 2.25 2.40 0.00 138 D 7.71 4.67 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 3.99 0.00 1.46 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 1.47 1.47 0.00 140 E 8.00 3.84 0.00 1.92 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 0.00 2.48 2.34 0.00 141 F 6.89 4.17 0.00 2.92 3.26 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 0.00 142 H 6.84 4.13 0.00 3.14 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.86 3.82 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 0.00 0.00 0.00 144 L 7.07 3.73 0.00 1.42 1.24 0.56 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.24 4.51 0.00 2.87 2.72 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 0.00 146 E 8.75 3.91 0.00 2.05 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 2.38 2.39 0.00 147 A 7.95 3.94 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 0.00 148 T 7.97 3.83 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 1.31 0.00 0.00 149 L 7.85 3.81 0.00 1.60 1.71 0.77 0.30 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 0.00 150 L 8.11 3.92 0.00 2.04 1.75 0.92 1.24 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 0.00 151 R 8.07 3.91 0.00 2.05 1.99 0.00 3.50 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 152 A 8.22 4.20 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.27 4.00 0.00 1.98 1.71 1.03 1.17 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 0.00 154 Q 8.24 3.98 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 155 A 8.20 4.01 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 0.00 156 L 7.91 3.89 0.00 1.99 1.77 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.32 4.54 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 158 Q 7.95 3.98 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 159 E 7.48 4.34 0.00 1.92 1.90 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 2.28 2.49 0.00 160 H 7.51 4.11 0.00 3.31 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.30 4.70 0.00 1.58 1.23 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.01 1.42 7.81 162 A 7.78 5.19 1.10 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 0.00 0.00 163 E 9.39 4.86 0.00 2.26 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 2.25 2.31 0.00 164 I 8.55 4.42 1.86 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 1.30 0.61 0.95 0.00 0.00 165 I 8.67 4.57 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 1.30 1.11 0.92 0.00 0.00 166 T 8.57 4.66 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 0.00 167 V 8.01 4.10 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 0.85 0.00 0.00 0.94 0.00 0.00 168 S 8.84 3.21 0.00 4.05 3.98 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 0.00 169 D 9.13 4.61 0.00 2.79 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 0.00 170 G 6.14 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 0.00 0.00 0.00 171 R 7.87 4.85 0.00 1.74 1.78 0.00 3.08 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 172 G 8.89 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.93 4.92 1.94 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 0.69 0.00 0.00 0.44 0.00 0.00 174 K 9.01 4.88 0.00 1.71 1.55 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.69 1.21 7.81 175 F 8.35 5.13 0.00 3.07 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 0.00 176 F 9.03 5.23 0.00 2.99 2.99 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