NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6922 8.2233 120.5355 54.0772 41.7830 175.9127 2 S 4.1610 8.6762 122.1674 60.6337 63.3306 175.3366 3 L 4.0249 8.0566 120.7948 58.2448 43.1433 178.5465 4 V 3.8140 7.8886 118.6171 64.8663 31.0771 177.7156 5 L 3.9618 7.7642 119.7493 58.1964 41.8245 178.5289 6 Y 4.0559 8.1929 116.1900 61.2072 37.7706 178.3900 7 N 4.3889 8.1801 116.9747 56.2165 38.0996 177.3252 8 R 3.8314 7.7411 120.1165 59.6590 30.2175 179.0817 9 V 3.4276 7.6107 111.3974 64.1652 31.4103 178.2301 10 A 3.5729 7.7540 120.6641 54.7961 17.9351 179.8110 11 V 3.4838 7.5687 116.0027 66.1650 31.8413 177.7757 12 Q 4.1270 7.7892 118.2984 59.3204 28.7642 178.2639 13 G 4.0636 7.8228 106.8252 48.2458 0.0000 175.2654 14 D 4.4139 7.9596 121.9005 56.8023 40.8054 179.0501 15 V 3.5732 8.0568 119.1725 65.8647 30.9622 178.2102 16 V 3.5578 7.7288 117.4334 66.0623 31.4726 177.7500 17 R 3.9186 7.6950 118.2559 59.5785 29.8394 178.2342 18 E 4.0026 8.5421 118.6581 59.4219 29.3722 179.3024 19 L 3.9841 7.9956 118.9882 57.8031 41.6890 179.7921 20 K 3.9672 7.8476 117.4339 59.4124 31.7801 179.3508 21 A 4.1188 7.7333 119.5539 54.4870 18.3009 178.7795 22 K 4.2882 7.9342 115.2088 55.5869 32.1804 176.9638 23 K 3.8239 7.9150 116.7787 57.0562 30.2322 175.6402 24 A 4.1578 7.8983 121.1788 51.3645 19.0649 176.5835 25 P 4.5888 0.0000 0.0000 61.8933 32.5405 177.6261 26 K 3.9523 8.6139 117.8283 59.6989 31.7334 179.2862 27 E 3.9542 8.1653 118.4237 59.5326 29.4191 178.9990 28 D 4.3512 8.0672 118.7084 57.1925 40.8115 179.0415 29 V 3.5486 7.6569 118.2190 66.0837 31.7262 177.5851 30 D 4.3265 8.7464 118.7472 57.3153 40.6559 178.6866 31 A 3.9390 8.0955 120.8660 55.1445 18.3396 179.5732 32 A 3.9424 7.9437 119.4518 55.2847 18.4889 180.2576 33 V 3.4476 8.1146 118.1143 64.7113 31.3891 178.4500 34 K 3.8683 8.6298 120.6464 59.3191 31.9106 178.5480 35 Q 3.9320 8.4731 120.2117 59.0595 29.0617 177.8572 36 L 3.9347 8.5233 122.0426 58.2205 42.0340 178.9111 37 L 4.0467 8.5971 119.4622 57.7982 41.4638 179.5942 38 S 4.0116 7.9505 113.8206 61.3374 62.8832 176.6446 39 L 3.8868 7.5489 122.5070 57.5719 41.4750 179.3703 40 K 4.0974 8.0568 119.0751 59.4526 32.0788 178.5446 41 A 4.0379 8.6452 121.6749 55.2210 18.0764 179.3985 42 E 4.1502 8.0380 117.3296 59.2663 29.5429 178.8741 43 Y 4.1957 7.8313 116.3785 61.0638 37.8344 178.7050 44 K 4.0754 8.7078 120.7526 59.4095 31.7857 178.4791 45 E 3.9927 7.9595 118.7326 59.5911 29.1141 179.1678 46 K 4.1169 7.6928 117.2890 58.2741 32.4178 179.3651 47 T 4.2414 7.8616 110.7420 61.4135 68.2497 172.5583 48 G 3.7114 7.9036 107.3744 45.8598 0.0000 174.2158 49 Q 3.9822 8.1493 119.4193 56.4196 29.9079 176.7429 50 E 3.3931 8.3030 110.1859 56.8024 28.8572 174.0877 51 Y 3.7567 8.2214 124.5001 57.3543 39.3113 175.9332 52 K 4.1823 8.2409 126.2338 55.5859 32.9058 175.4183 53 P 4.1644 0.0000 0.0000 64.7795 31.8064 177.0120 54 G 3.9800 7.7579 107.3835 45.8311 0.0000 174.3899 55 N 4.9227 7.9206 118.5744 50.5517 38.4751 172.3843 56 P 4.4941 0.0000 0.0000 62.0277 32.0767 174.6241 57 P 4.3607 0.0000 0.0000 63.2009 31.2400 176.1384 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 D 8.22 4.69 0.00 2.75 2.74 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 2 S 8.68 4.16 0.00 4.07 4.13 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 3 L 8.06 4.02 0.00 1.66 1.74 0.91 1.02 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 4 V 7.89 3.81 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 0.77 0.00 0.00 0.95 0.00 0.00 5 L 7.76 3.96 0.00 1.94 1.97 0.55 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.19 4.06 0.00 3.47 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 7 N 8.18 4.39 0.00 2.97 2.91 0.00 0.00 6.68 8.25 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 8 R 7.74 3.83 0.00 1.81 2.05 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 9 V 7.61 3.43 1.65 0.00 0.00 0.00 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 0.54 0.00 0.00 10 A 7.75 3.57 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.48 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 0.80 0.00 0.00 0.95 0.00 0.00 12 Q 7.79 4.13 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.37 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 13 G 7.82 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 0.00 0.00 0.00 14 D 7.96 4.41 0.00 2.83 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 15 V 8.06 3.57 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 1.08 0.00 0.00 0.96 0.00 0.00 16 V 7.73 3.56 2.30 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 0.95 0.00 0.00 0.94 0.00 0.00 17 R 7.69 3.92 0.00 1.92 2.09 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 18 E 8.54 4.00 0.00 2.21 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 2.54 0.00 19 L 8.00 3.98 0.00 1.91 1.72 0.96 0.94 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 20 K 7.85 3.97 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.61 7.81 21 A 7.73 4.12 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 22 K 7.93 4.29 0.00 1.93 1.85 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 K 7.91 3.82 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 24 A 7.90 4.16 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 25 P 0.00 4.59 0.00 2.23 2.20 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 26 K 8.61 3.95 0.00 1.82 2.06 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 27 E 8.17 3.95 0.00 2.01 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 2.40 2.41 0.00 28 D 8.07 4.35 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 29 V 7.66 3.55 2.22 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 1.12 0.00 0.00 0.93 0.00 0.00 30 D 8.75 4.33 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.10 3.94 1.35 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 0.00 0.00 0.00 32 A 7.94 3.94 1.39 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 0.00 0.00 0.00 33 V 8.11 3.45 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 0.83 0.00 0.00 0.94 0.00 0.00 34 K 8.63 3.87 0.00 1.89 2.03 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 Q 8.47 3.93 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 36 L 8.52 3.93 0.00 1.78 1.80 0.94 0.49 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 37 L 8.60 4.05 0.00 1.94 1.71 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.95 4.01 0.00 4.02 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 0.00 39 L 7.55 3.89 0.00 1.85 1.71 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.06 4.10 0.00 1.93 2.01 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 41 A 8.65 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.04 4.15 0.00 2.00 1.86 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 2.47 2.27 0.00 43 Y 7.83 4.20 0.00 3.33 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 44 K 8.71 4.08 0.00 1.88 2.02 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 45 E 7.96 3.99 0.00 2.24 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 2.33 2.61 0.00 46 K 7.69 4.12 0.00 1.94 1.88 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.39 7.81 47 T 7.86 4.24 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 1.25 0.00 0.00 48 G 7.90 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.15 3.98 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.93 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 50 E 8.30 3.39 0.00 2.10 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 2.15 2.20 0.00 51 Y 8.22 3.76 0.00 2.83 2.87 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 52 K 8.24 4.18 0.00 1.69 1.58 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.38 7.81 53 P 0.00 4.16 0.00 2.14 2.20 0.00 3.53 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 1.98 1.87 0.00 54 G 7.76 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 0.00 0.00 0.00 55 N 7.92 4.92 0.00 2.88 2.94 0.00 0.00 7.04 9.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.49 0.00 2.23 2.27 0.00 3.90 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 57 P 0.00 4.36 0.00 2.13 1.98 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00