NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3691 8.3044 120.3498 55.2299 33.1860 177.9228 2 K 4.1703 8.9605 114.3015 54.3488 33.2426 174.1558 3 R 4.3442 8.2108 125.4827 56.1129 32.2406 175.6041 4 T 4.1608 8.3256 107.6164 63.7347 69.5826 174.8477 5 F 4.6343 8.2008 124.4573 57.9186 38.9867 174.5554 6 Q 4.2787 8.5136 128.3574 52.7328 29.5809 173.6131 7 P 3.9315 0.0000 0.0000 63.4204 31.5190 177.2278 8 S 4.5932 8.2791 108.4674 56.3423 64.0198 176.6998 9 V 3.6026 7.9665 129.4034 64.6939 30.7543 177.8843 10 L 3.8999 7.8493 119.9627 58.0382 41.8750 179.0224 11 K 4.0117 7.7091 116.5255 59.6001 32.1949 178.7721 12 R 4.0610 8.4181 119.2526 59.4938 29.9361 177.8363 13 N 4.3764 8.3943 115.8978 56.5220 38.6422 178.3953 14 R 4.5047 7.5598 115.1972 56.5241 30.4382 177.2247 15 S 4.5885 7.8684 113.8025 60.5146 68.1374 174.8891 16 H 4.8322 8.5313 113.2342 55.1858 31.1273 173.4372 17 G 3.9609 8.6076 111.0413 44.7885 0.0000 175.0899 18 F 4.0171 8.8429 119.8513 61.4282 39.3025 177.2182 19 R 4.1993 8.2383 114.6670 58.0385 30.0050 177.7162 20 A 4.3665 7.6505 120.3248 53.9920 19.6022 179.0691 21 R 3.7899 7.9435 117.3348 59.5818 29.9040 178.5124 22 M 3.8778 8.1080 117.7763 57.2844 31.9341 178.0396 23 A 4.1208 7.1890 121.1748 54.3364 18.7847 177.9801 24 T 4.3355 7.0480 104.7355 60.2428 70.8306 174.6225 25 K 4.1043 8.3151 122.1850 58.6277 32.3057 178.1798 26 N 4.5901 8.0790 115.5181 54.9104 38.7673 176.5874 27 G 3.8797 8.2887 105.8003 45.1419 0.0000 175.3242 28 R 3.8905 7.3886 119.6824 58.7745 30.2585 178.1941 29 Q 4.0247 7.9292 117.5742 58.4742 28.7105 178.2619 30 V 3.5598 7.4253 118.9750 66.2517 30.7794 177.9355 31 L 3.9774 7.5199 118.0049 57.6123 41.5747 178.9573 32 A 4.4195 8.0517 120.5374 55.6029 18.2302 179.5675 33 R 3.7860 8.6275 117.1549 59.6919 30.1509 178.8880 34 R 3.9175 8.1722 117.6666 59.3392 30.0006 179.0665 35 R 3.9166 9.3329 117.8238 59.7069 29.8966 178.3037 36 A 4.0130 8.1958 118.8527 55.4908 18.4036 179.1169 37 K 3.9008 8.1384 117.7503 57.6193 32.2539 177.3568 38 G 3.8682 8.1924 106.4130 45.9070 0.0000 173.6323 39 R 3.9461 8.0790 118.1047 56.2267 30.6957 176.3243 40 A 4.1185 8.6883 126.0730 54.7943 18.7566 178.1439 41 R 4.6273 7.7095 113.1500 54.7089 32.0491 176.0625 42 L 4.2690 8.5711 123.3274 56.6665 42.3107 177.8911 43 T 4.3238 7.6251 113.5835 60.6805 69.4884 173.6392 44 V 3.2194 9.3417 129.8942 68.4064 31.4055 177.0013 45 S 3.6631 6.9690 115.8432 57.3701 66.8824 171.8957 46 K 4.1465 8.6792 123.7242 56.3875 32.3002 174.8441 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 4.37 0.00 2.00 1.35 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 2 K 8.96 4.17 0.00 1.83 1.69 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 R 8.21 4.34 0.00 1.87 1.95 0.00 3.44 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 4 T 8.33 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 F 8.20 4.63 0.00 2.90 3.03 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 0.00 0.00 0.00 6 Q 8.51 4.28 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 7 P 0.00 3.93 0.00 2.00 1.66 0.00 3.51 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 8 S 8.28 4.59 0.00 3.83 3.74 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 0.00 0.00 0.00 9 V 7.97 3.60 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 0.74 0.00 0.00 0.99 0.00 0.00 10 L 7.85 3.90 0.00 1.71 1.71 0.93 0.49 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 11 K 7.71 4.01 0.00 1.95 1.90 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.46 7.81 12 R 8.42 4.06 0.00 2.05 2.11 0.00 3.24 0.00 0.00 3.24 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 13 N 8.39 4.38 0.00 2.86 2.92 0.00 0.00 6.93 7.67 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 14 R 7.56 4.50 0.00 1.91 2.03 0.00 3.05 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 15 S 7.87 4.59 0.00 4.12 3.56 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 0.00 0.00 0.00 0.00 16 H 8.53 4.83 0.00 3.07 3.26 0.00 5.85 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 17 G 8.61 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 4.02 0.00 3.09 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 19 R 8.24 4.20 0.00 1.88 2.02 0.00 3.31 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 20 A 7.65 4.37 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 21 R 7.94 3.79 0.00 2.09 1.68 0.00 3.09 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 22 M 8.11 3.88 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.63 0.00 23 A 7.19 4.12 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 24 T 7.05 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 K 8.32 4.10 0.00 1.83 1.81 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 26 N 8.08 4.59 0.00 2.80 2.82 0.00 0.00 7.05 7.87 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 27 G 8.29 3.88 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 0.00 0.00 0.00 28 R 7.39 3.89 0.00 2.10 1.93 0.00 3.04 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 29 Q 7.93 4.02 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 30 V 7.43 3.56 2.20 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 1.03 0.00 0.00 0.95 0.00 0.00 31 L 7.52 3.98 0.00 1.65 1.73 0.67 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.05 4.42 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 33 R 8.63 3.79 0.00 2.25 1.99 0.00 3.15 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 34 R 8.17 3.92 0.00 2.04 1.99 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 35 R 9.33 3.92 0.00 2.07 2.02 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 36 A 8.20 4.01 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 37 K 8.14 3.90 0.00 1.77 2.05 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 G 8.19 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 39 R 8.08 3.95 0.00 1.92 2.03 0.00 3.29 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 40 A 8.69 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.71 4.63 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 42 L 8.57 4.27 0.00 1.71 1.87 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.63 4.32 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 44 V 9.34 3.22 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 0.85 0.00 0.00 1.00 0.00 0.00 45 S 6.97 3.66 0.00 4.09 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 4.15 0.00 1.65 1.64 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.46 7.81