NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2912 8.2649 123.5770 51.5708 20.9143 177.4846 3 K 4.4227 7.7768 115.2215 56.3071 32.1214 171.2722 4 V 4.3002 8.0757 107.5835 62.3931 33.8007 176.6927 5 Q 2.8859 7.9121 118.1628 57.0693 28.2724 173.9853 6 A 4.4221 8.0151 116.7076 52.3322 18.9143 175.2280 7 Y 3.4906 8.3926 116.6361 59.7343 35.2853 170.4156 8 V 3.0750 7.8342 115.8304 62.7270 29.9174 172.0943 9 S 4.2142 8.4449 120.6025 58.7338 62.2030 174.7721 10 D 4.5286 8.7304 124.1359 54.5730 39.4394 177.7917 11 E 4.4082 8.5322 121.7567 60.1682 29.4653 179.1917 12 I 4.0288 7.5097 118.9309 63.7585 37.0334 178.4421 13 V 3.9755 9.2645 120.1780 66.0732 31.1006 177.3899 14 Y 3.8321 7.6682 117.5216 60.2112 38.8137 177.7063 15 K 4.2585 8.2289 119.1538 59.5868 31.9440 178.8804 16 I 3.4279 7.6933 120.1262 64.8922 36.5205 177.9642 17 N 4.4204 7.8912 116.2715 56.1214 38.2676 177.6630 18 K 4.0089 8.8321 120.9085 59.4867 31.9481 178.9090 19 I 3.6331 7.0525 118.0325 65.3869 37.3552 177.7726 20 V 3.3394 8.0418 116.6094 66.5053 31.1847 177.4246 21 E 3.8838 8.2959 116.5228 59.8816 29.6515 179.9822 22 R 3.9210 8.1742 118.5002 59.0313 30.1375 178.1023 23 R 3.8844 8.4968 119.4038 59.8710 29.7953 178.6355 24 R 4.1078 7.9119 113.1912 58.8946 29.7640 178.0072 25 A 4.1013 7.7112 120.4981 54.3438 18.3723 178.3425 26 E 4.3129 9.1823 117.4404 57.0545 30.3253 174.5423 27 G 3.1032 7.5962 108.1464 44.6584 0.0000 175.0366 28 A 4.3856 7.7875 124.6012 51.4778 18.3726 177.3342 29 K 4.3728 8.3444 111.3165 58.1689 34.4481 176.6023 30 S 4.4978 7.2775 110.3586 58.4864 64.5337 175.2530 31 T 4.4695 8.3361 112.8606 62.0002 68.5045 175.9186 32 D 4.3499 7.5775 122.5620 56.0411 39.2759 176.8311 33 V 4.0283 6.9566 118.7397 61.2316 32.8530 174.1052 34 S 4.6057 7.9704 116.0029 56.7750 63.9924 177.0132 35 F 3.9672 8.1245 121.2121 61.6923 38.7302 176.6159 36 S 4.1942 8.4996 112.6247 62.0540 62.3531 176.9547 37 S 4.0468 7.4954 117.6162 61.4527 62.4999 176.8133 38 I 3.6638 8.4237 122.9580 63.6505 36.6969 178.4120 39 S 3.6989 8.5344 115.9443 61.2620 62.2489 175.7414 40 T 3.8180 7.6231 118.0149 67.0044 68.1132 175.9619 41 M 3.9314 7.3247 116.9425 58.7572 31.1699 178.4153 42 L 4.0207 7.3124 119.3787 57.4115 41.9391 179.2193 43 L 4.1438 7.8832 120.0445 58.2425 41.6604 178.8474 44 E 4.0513 8.5177 118.0709 58.3975 29.4313 178.0783 45 L 4.5195 8.2364 117.1882 54.2269 42.7841 177.4164 46 G 3.8673 7.8733 108.6602 44.2950 0.0000 175.1358 47 L 4.0330 8.0011 121.0975 55.8386 42.4036 176.2599 48 R 3.8313 7.7874 115.3077 59.2716 29.2034 178.3246 49 V 3.5463 7.9413 118.7491 65.7164 31.2756 176.6893 50 Y 4.5267 8.0139 119.0182 61.3564 38.8613 177.9245 51 E 3.7955 8.1086 119.1123 59.1286 29.7324 178.9033 52 A 3.9524 8.4196 121.2231 55.2034 18.3231 179.4969 53 Q 4.1227 8.7809 116.1676 58.8734 28.7917 178.5592 54 M 4.2295 7.3488 119.0683 55.9390 32.3268 175.3655 55 E 4.6103 7.7665 115.5656 54.4431 33.2449 175.5715 56 R 4.0267 8.5895 116.7146 56.8535 30.4027 176.4206 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 2 A 8.26 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.42 0.00 1.79 1.79 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.57 7.81 4 V 8.08 4.30 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 0.69 0.00 0.00 0.80 0.00 0.00 5 Q 7.91 2.89 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 6 A 8.02 4.42 1.24 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 0.00 0.00 0.00 7 Y 8.39 3.49 0.00 3.15 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 8 V 7.83 3.07 2.17 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 0.73 0.00 0.00 1.00 0.00 0.00 9 S 8.44 4.21 0.00 3.91 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 10 D 8.73 4.53 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.53 4.41 0.00 2.02 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 2.36 2.55 0.00 12 I 7.51 4.03 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.93 0.00 0.00 13 V 9.26 3.98 2.32 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 1.00 0.00 0.00 1.09 0.00 0.00 14 Y 7.67 3.83 0.00 3.20 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 15 K 8.23 4.26 0.00 2.05 1.91 0.00 1.84 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.79 7.81 16 I 7.69 3.43 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.01 0.06 0.00 0.00 17 N 7.89 4.42 0.00 3.07 2.83 0.00 0.00 7.13 7.40 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 18 K 8.83 4.01 0.00 1.95 1.92 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.87 7.81 19 I 7.05 3.63 1.86 0.00 0.00 0.70 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 0.32 0.77 0.00 0.00 20 V 8.04 3.34 2.25 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 1.07 0.00 0.00 0.90 0.00 0.00 21 E 8.30 3.88 0.00 2.28 2.03 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 2.35 2.51 0.00 22 R 8.17 3.92 0.00 2.11 1.97 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 23 R 8.50 3.88 0.00 1.94 1.93 0.00 3.13 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 R 7.91 4.11 0.00 1.99 2.05 0.00 3.14 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.99 0.00 25 A 7.71 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.31 0.00 1.95 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 0.00 2.28 2.32 0.00 27 G 7.60 3.10 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 0.00 28 A 7.79 4.39 1.27 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 0.00 0.00 0.00 29 K 8.34 4.37 0.00 1.67 1.76 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.32 7.81 30 S 7.28 4.50 0.00 3.83 3.67 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 0.00 0.00 0.00 31 T 8.34 4.47 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 32 D 7.58 4.35 0.00 2.83 2.86 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 33 V 6.96 4.03 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 0.74 0.00 0.00 0.92 0.00 0.00 34 S 7.97 4.61 0.00 4.09 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 35 F 8.12 3.97 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.50 4.19 0.00 4.13 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 0.00 37 S 7.50 4.05 0.00 4.21 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 38 I 8.42 3.66 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.78 0.00 0.00 39 S 8.53 3.70 0.00 3.49 3.67 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 0.00 0.00 0.00 40 T 7.62 3.82 4.20 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 1.19 0.00 0.00 41 M 7.32 3.93 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 42 L 7.31 4.02 0.00 1.90 1.65 0.61 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 4.14 0.00 1.73 1.75 0.92 0.84 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 44 E 8.52 4.05 0.00 2.22 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 2.33 0.00 45 L 8.24 4.52 0.00 1.69 1.72 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.00 4.03 0.00 1.89 1.87 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.79 3.83 0.00 2.18 2.19 0.00 2.89 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 49 V 7.94 3.55 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 1.05 0.00 0.00 0.99 0.00 0.00 50 Y 8.01 4.53 0.00 2.96 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 51 E 8.11 3.80 0.00 2.24 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 0.00 2.28 2.54 0.00 52 A 8.42 3.95 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 53 Q 8.78 4.12 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 54 M 7.35 4.23 0.00 1.80 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 55 E 7.77 4.61 0.00 1.93 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 2.30 2.23 0.00 56 R 8.59 4.03 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00