NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.9139 8.1200 121.1855 55.1561 34.4439 178.6316 3 L 3.5311 7.2786 118.9356 55.6849 43.7143 177.6154 4 S 4.1245 8.8937 114.9039 61.5823 63.4664 175.1792 5 E 3.8848 8.4209 123.4456 59.1356 29.2812 179.3134 6 V 3.5604 7.9172 117.1984 66.4877 31.3376 177.9397 7 R 3.8874 7.6669 115.8981 59.4199 30.0098 178.7430 8 K 4.1667 7.8732 119.2524 59.3195 31.8769 179.1462 9 Q 4.4650 9.0238 120.2911 58.4078 28.6011 179.0350 10 L 4.1361 7.8767 120.4356 57.0805 41.6760 178.6606 11 E 3.9276 8.9880 118.6243 59.9433 29.0987 179.7317 12 E 3.9481 8.7747 118.1808 59.2993 29.4198 178.8369 13 A 4.3415 7.6511 118.7915 53.3229 18.7461 178.6946 14 R 4.4599 8.1197 115.9223 56.0790 31.4448 177.3033 15 K 4.6127 7.4380 116.6234 54.8003 32.3204 176.1969 16 L 4.5090 7.7411 119.5761 54.3558 45.5181 172.7689 17 S 3.6188 7.8660 121.1908 57.6922 64.5391 171.3694 18 P 4.0929 0.0000 0.0000 65.6631 31.6403 177.5907 19 V 3.4651 7.9157 118.9034 65.9625 31.1524 177.2281 20 E 3.9546 8.1628 118.5718 59.1887 29.4412 179.0081 21 L 3.9485 7.7390 118.9082 57.8750 41.7603 179.0648 22 E 3.9353 8.2365 117.6260 59.5781 29.3564 179.2692 23 K 3.9097 7.7612 117.8947 59.9647 32.0767 178.4204 24 L 3.9721 8.1509 120.2896 57.8601 41.9153 178.9726 25 V 3.4814 7.9914 117.7488 66.2950 31.4210 177.9702 26 R 4.1586 7.8096 116.4014 59.6722 30.2495 178.1149 27 E 4.0986 7.9065 117.8226 59.6699 29.5525 179.7478 28 K 3.9072 8.2087 118.2337 59.5749 32.3408 179.3168 29 K 4.0627 8.8836 118.5413 58.3727 31.8507 178.4811 30 R 4.1283 8.1531 120.1386 58.4567 30.4428 177.5278 31 E 3.8978 8.1138 117.6491 59.6179 29.5197 179.2992 32 L 3.8938 8.0938 119.9372 59.1047 42.1947 178.0065 33 M 4.0247 7.9447 117.4092 57.9401 31.9513 177.9408 34 E 3.7651 8.5994 118.7448 59.9088 30.4035 178.6334 35 L 3.9487 8.6202 120.6416 58.3035 41.7227 178.1497 36 R 4.0660 8.7775 119.8549 58.1537 29.5769 178.2852 37 F 4.2270 8.3350 122.7198 61.4299 39.6131 177.1978 38 Q 4.1118 8.3156 116.4156 58.3915 28.2278 178.0654 39 A 4.1979 8.2534 124.5273 54.7459 18.7336 179.3984 40 S 4.2147 7.8084 112.6301 60.8333 62.7348 175.0759 41 I 4.5081 7.1664 115.0462 58.9972 38.9389 179.4656 42 G 3.7449 8.1267 111.0576 48.1880 0.0000 177.1191 43 Q 3.4530 8.3559 122.6111 56.8016 26.2667 175.6733 44 L 4.1889 8.5663 122.4497 56.3812 39.9679 173.5658 45 S 5.7142 7.5051 130.4250 58.6559 63.7835 176.9873 46 Q 4.4193 7.7771 125.9836 55.0344 29.5446 177.9403 47 N 4.0101 8.7349 120.0611 53.1594 41.5084 178.0169 48 H 3.8334 8.3922 120.8449 58.6567 31.3199 176.4766 49 K 3.6655 8.5807 121.9239 59.7299 31.6819 178.7975 50 I 3.7751 7.6938 119.5383 64.1654 37.1928 178.3232 51 R 3.9236 7.9032 116.2773 59.5038 29.2549 178.4034 52 D 4.3217 8.7471 119.7842 57.0022 40.8027 178.3526 53 L 3.8735 7.7292 120.1817 58.1767 42.0590 178.7504 54 K 3.8482 8.2495 118.6962 59.9098 32.0525 179.3362 55 R 3.9095 8.1843 117.7433 59.5640 29.9980 178.5636 56 Q 3.9028 8.4413 117.6538 59.5634 28.6434 179.4232 57 I 3.6177 8.2634 119.8344 65.2719 37.1369 177.9224 58 A 3.8851 8.1496 119.6421 55.9892 18.4197 179.5191 59 R 3.9902 8.5717 113.3250 58.8447 29.3018 178.4639 60 L 3.8880 8.3390 121.9794 58.1324 41.9924 178.9483 61 L 4.2449 8.2450 118.6321 58.1756 40.4934 178.8915 62 T 3.8482 7.8233 116.5693 66.4396 68.4938 176.1505 63 V 3.7641 7.4926 119.2344 65.5627 31.6198 177.6092 64 L 3.9787 7.8329 119.6681 58.3397 41.6021 177.9824 65 N 4.7801 8.0713 112.7347 53.5429 38.2668 175.1458 66 E 4.5392 8.2007 120.4651 57.6388 31.9175 178.5738 67 K 3.9133 8.1030 118.5593 59.3203 32.7565 178.3973 68 R 4.5878 8.1091 118.6411 55.2421 28.3702 175.4460 69 R 4.8118 7.4395 115.3472 56.9764 37.7400 176.6131 70 Q 4.5923 7.6188 113.9186 55.5956 30.9499 175.7397 71 N 4.9772 8.0924 111.6161 52.3949 40.5014 174.2223 72 A 4.2212 7.7591 126.6131 52.3978 19.4204 176.0465 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 K 8.12 4.91 0.00 1.82 1.71 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 3 L 7.28 3.53 0.00 1.85 1.58 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.89 4.12 0.00 4.09 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 5 E 8.42 3.88 0.00 2.09 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 0.00 2.34 2.49 0.00 6 V 7.92 3.56 2.24 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 1.07 0.00 0.00 0.93 0.00 0.00 7 R 7.67 3.89 0.00 2.08 2.01 0.00 3.49 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 8 K 7.87 4.17 0.00 1.99 1.96 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 9 Q 9.02 4.47 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 10 L 7.88 4.14 0.00 1.93 1.66 0.92 0.87 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 11 E 8.99 3.93 0.00 2.09 2.04 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 2.34 2.59 0.00 12 E 8.77 3.95 0.00 1.99 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 2.33 2.46 0.00 13 A 7.65 4.34 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 14 R 8.12 4.46 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 15 K 7.44 4.61 0.00 1.84 1.75 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.40 7.81 16 L 7.74 4.51 0.00 1.59 1.65 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.87 3.62 0.00 4.15 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 18 P 0.00 4.09 0.00 2.24 2.32 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 19 V 7.92 3.47 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 8.16 3.95 0.00 2.07 2.21 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 2.31 2.41 0.00 21 L 7.74 3.95 0.00 1.95 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.24 3.94 0.00 2.13 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 2.56 0.00 23 K 7.76 3.91 0.00 1.99 1.90 0.00 1.87 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 1.47 1.49 7.81 24 L 8.15 3.97 0.00 1.88 1.70 0.92 0.89 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 25 V 7.99 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 0.97 0.00 0.00 0.95 0.00 0.00 26 R 7.81 4.16 0.00 1.97 2.00 0.00 3.24 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 1.67 1.91 0.00 27 E 7.91 4.10 0.00 2.16 2.02 0.00 0.00 0.00 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 2.59 0.00 28 K 8.21 3.91 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.63 7.81 29 K 8.88 4.06 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.59 7.81 30 R 8.15 4.13 0.00 1.82 2.02 0.00 3.11 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 E 8.11 3.90 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 32 L 8.09 3.89 0.00 1.83 1.66 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.94 4.02 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 34 E 8.60 3.77 0.00 2.08 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 0.00 2.31 2.44 0.00 35 L 8.62 3.95 0.00 2.06 1.76 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.78 4.07 0.00 1.98 2.10 0.00 3.18 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 37 F 8.34 4.23 0.00 3.31 3.20 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 0.00 38 Q 8.32 4.11 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.41 0.00 39 A 8.25 4.20 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 40 S 7.81 4.21 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.17 4.51 1.82 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 1.45 0.62 0.78 0.00 0.00 42 G 8.13 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 0.00 0.00 0.00 43 Q 8.36 3.45 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.06 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 44 L 8.57 4.19 0.00 1.78 2.03 0.94 0.79 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 45 S 7.51 5.71 0.00 4.09 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 46 Q 7.78 4.42 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.28 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 47 N 8.73 4.01 0.00 2.87 2.59 0.00 0.00 6.88 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.39 3.83 0.00 3.38 3.77 0.00 5.49 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.58 3.67 0.00 1.75 1.89 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.61 7.81 50 I 7.69 3.78 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 1.70 0.61 0.92 0.00 0.00 51 R 7.90 3.92 0.00 2.04 2.21 0.00 2.99 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 52 D 8.75 4.32 0.00 2.76 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 53 L 7.73 3.87 0.00 2.08 1.66 0.94 0.60 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 54 K 8.25 3.85 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 55 R 8.18 3.91 0.00 2.08 1.98 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 Q 8.44 3.90 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 57 I 8.26 3.62 2.09 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 1.45 0.76 0.91 0.00 0.00 58 A 8.15 3.89 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 59 R 8.57 3.99 0.00 2.05 2.20 0.00 2.81 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 60 L 8.34 3.89 0.00 1.90 1.79 0.92 0.57 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 61 L 8.24 4.24 0.00 1.90 1.90 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.82 3.85 4.30 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 1.21 0.00 0.00 63 V 7.49 3.76 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 1.07 0.00 0.00 1.03 0.00 0.00 64 L 7.83 3.98 0.00 1.75 1.86 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.07 4.78 0.00 2.71 2.82 0.00 0.00 6.86 7.20 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 66 E 8.20 4.54 0.00 2.09 2.13 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 2.28 2.21 0.00 67 K 8.10 3.91 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.37 7.81 68 R 8.11 4.59 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 69 R 7.44 4.81 0.00 2.02 1.89 0.00 3.33 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 70 Q 7.62 4.59 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 71 N 8.09 4.98 0.00 2.60 2.77 0.00 0.00 6.67 7.20 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 72 A 7.76 4.22 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00