NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3872 8.3044 120.3474 55.6381 33.3253 173.9769 1 R 4.3608 8.1295 123.6202 55.2884 33.2228 172.1180 2 R 3.9215 9.3999 117.0529 56.7293 28.3590 175.9688 3 K 4.6462 7.6623 113.7381 55.0023 36.6806 177.2563 4 R 4.3059 8.2363 121.8021 55.4040 28.7292 177.3852 5 R 4.6810 7.2162 120.7778 54.8486 31.0943 175.1180 6 V 3.5910 7.1521 119.9182 64.3560 32.7643 174.9997 7 L 4.0474 7.6142 120.5899 54.0824 42.5163 177.8059 8 F 4.0002 8.2390 124.6671 57.4372 38.2728 173.9829 9 S 4.6348 8.0023 114.2456 56.7896 66.2001 175.9433 10 Q 4.0114 8.5688 120.0175 59.1662 28.4076 179.0263 11 A 4.0928 8.0140 120.9919 55.3503 18.4959 179.5391 12 Q 4.1989 8.1186 117.7659 58.7559 28.8578 179.2299 13 V 3.4056 8.1102 119.4667 65.8517 31.4164 177.1607 14 Y 4.0045 8.2334 119.7282 60.8264 38.1675 178.2212 15 E 3.5777 8.1167 118.2588 59.1291 29.4983 179.0873 16 L 3.4062 7.5944 119.8328 57.2473 41.3985 179.1548 17 E 4.0760 8.1209 118.7964 59.4975 29.4768 179.1822 18 R 3.7571 7.6714 118.7753 59.5133 29.9551 178.4085 19 R 3.8860 8.0871 118.3630 59.5226 29.9485 178.0524 20 F 4.5850 8.4590 119.4576 61.3947 39.3663 176.7703 21 K 4.1415 8.2718 118.3375 59.8809 32.1569 178.2366 22 Q 4.1346 8.1209 118.7050 56.9087 29.1459 175.0919 23 Q 4.4439 8.1037 121.8449 53.7000 30.8347 174.9536 24 K 3.5089 8.6876 127.0982 58.9528 32.1825 175.9180 25 Y 4.8903 7.0373 113.5081 55.8902 41.7786 175.1137 26 L 4.1084 7.8403 123.6119 54.2841 42.5996 177.8627 27 S 4.4672 8.3053 117.4531 57.2382 65.4497 174.9091 28 A 3.9803 8.4837 123.1675 55.0553 18.1647 177.6596 29 P 4.3355 0.0000 0.0000 66.0155 31.6339 178.2255 30 E 3.9834 7.8147 119.1876 58.6077 29.4789 178.8389 31 R 3.8458 8.3158 116.8680 59.4067 29.3465 178.8136 32 E 3.9857 8.0973 118.7908 59.0159 29.4703 178.4499 33 H 4.0906 8.3051 118.5237 59.1639 29.8820 176.9917 34 L 3.8758 8.2794 122.1754 58.2173 41.9032 178.6834 35 A 3.9974 8.1252 120.6932 55.1690 18.0162 179.6446 36 S 3.9159 8.0143 110.6662 61.8792 62.6458 175.6114 37 M 4.0630 8.0087 119.9424 58.6852 32.0667 177.9098 38 I 4.0421 7.8548 113.0761 63.7516 38.4260 176.0481 39 H 4.4888 8.8152 119.5049 56.4470 26.1093 173.6462 40 L 4.3070 8.2773 123.6309 53.4452 46.1566 174.9573 41 T 4.6345 7.8995 109.3963 59.9253 72.0538 173.5798 42 P 4.2566 0.0000 0.0000 66.2488 31.0958 179.0607 43 T 3.8811 7.8295 115.2219 66.6211 68.5621 176.1873 44 Q 4.0476 8.1415 121.3917 59.3391 28.9995 178.0104 45 V 3.8686 8.1469 119.3618 66.4647 31.4089 177.6910 46 K 4.1034 8.5613 118.8818 59.7254 31.9722 178.7530 47 I 3.7875 8.3021 120.2046 64.2317 37.1110 178.0042 48 W 4.0216 8.6590 129.0718 60.7949 30.6477 178.0599 49 F 4.3521 9.1366 117.6747 60.3417 38.2195 177.6422 50 Q 4.1282 8.6291 119.8401 59.3994 28.9427 177.8190 51 N 4.3304 8.3755 117.8245 56.7410 37.9697 177.1786 52 H 3.5675 7.6999 117.7720 58.2964 28.6159 178.0524 53 R 4.3068 7.9223 116.8657 59.4435 29.3496 178.2718 54 Y 4.1668 8.4240 120.6254 60.1787 38.6757 177.7334 55 K 3.4981 8.0045 120.6178 59.9756 32.0190 178.6262 56 M 3.9954 7.3784 116.2327 58.0168 31.8605 178.5481 57 K 4.0291 7.6047 118.9947 59.6005 32.5792 178.4708 58 R 3.9786 7.5722 117.9974 58.1073 29.9279 176.1924 59 Q 3.6459 7.7073 119.9593 57.1412 29.4047 175.2696 60 A 3.4259 8.7907 129.8403 53.0212 15.0138 174.2020 61 K 3.7464 7.7749 125.0735 55.4642 34.2977 177.3806 62 D 4.6790 8.2924 120.4356 54.1696 38.9197 177.5350 63 K 4.4174 7.6763 123.9741 55.9065 32.9185 177.0717 64 A 4.4987 7.5543 131.4761 53.1675 17.9868 180.6117 65 A 4.3597 8.8900 121.5639 52.8132 17.0014 179.8642 66 Q 4.4666 7.3715 122.4482 53.5723 29.0153 175.1732 67 Q 4.1956 8.0920 120.6304 56.3043 28.0643 174.7272 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 0 M 8.30 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 1 R 8.13 4.36 0.00 1.80 1.73 0.00 3.48 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 2 R 9.40 3.92 0.00 1.99 1.99 0.00 3.23 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 3 K 7.66 4.65 0.00 1.68 1.65 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.36 7.81 4 R 8.24 4.31 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 5 R 7.22 4.68 0.00 1.79 1.95 0.00 3.62 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 6 V 7.15 3.59 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 0.73 0.00 0.00 0.93 0.00 0.00 7 L 7.61 4.05 0.00 1.76 1.52 0.97 0.73 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 8 F 8.24 4.00 0.00 3.28 3.06 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 9 S 8.00 4.63 0.00 4.04 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 10 Q 8.57 4.01 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 11 A 8.01 4.09 1.36 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 0.00 0.00 12 Q 8.12 4.20 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 13 V 8.11 3.41 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 1.07 0.00 0.00 1.00 0.00 0.00 14 Y 8.23 4.00 0.00 3.24 3.23 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 15 E 8.12 3.58 0.00 2.15 2.16 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 0.00 2.47 2.26 0.00 16 L 7.59 3.41 0.00 0.67 0.13 0.28 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.12 4.08 0.00 2.08 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 2.49 2.66 0.00 18 R 7.67 3.76 0.00 1.33 1.76 0.00 3.11 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 1.49 1.60 0.00 19 R 8.09 3.89 0.00 2.07 2.22 0.00 3.24 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 20 F 8.46 4.58 0.00 3.25 3.34 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 21 K 8.27 4.14 0.00 2.05 1.97 0.00 1.89 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.64 7.81 22 Q 8.12 4.13 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 23 Q 8.10 4.44 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 24 K 8.69 3.51 0.00 1.39 1.40 0.00 1.11 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.88 0.21 7.81 25 Y 7.04 4.89 0.00 2.95 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 26 L 7.84 4.11 0.00 1.32 1.54 0.24 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.31 4.47 0.00 4.04 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 28 A 8.48 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.34 0.00 2.28 2.31 0.00 3.61 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 30 E 7.81 3.98 0.00 1.97 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 2.26 2.30 0.00 31 R 8.32 3.85 0.00 2.00 2.18 0.00 2.83 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 32 E 8.10 3.99 0.00 2.20 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 2.40 2.36 0.00 33 H 8.31 4.09 0.00 3.29 3.56 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.28 3.88 0.00 1.69 1.79 0.95 1.19 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 35 A 8.13 4.00 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 36 S 8.01 3.92 0.00 3.85 4.03 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 37 M 8.01 4.06 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 38 I 7.85 4.04 2.19 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.70 0.94 0.00 0.00 39 H 8.82 4.49 0.00 3.19 3.74 0.00 5.93 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.31 0.00 1.57 1.52 0.95 0.51 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 41 T 7.90 4.63 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 1.19 0.00 0.00 42 P 0.00 4.26 0.00 2.30 2.37 0.00 3.70 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 2.09 2.07 0.00 43 T 7.83 3.88 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 44 Q 8.14 4.05 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.93 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 45 V 8.15 3.87 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.05 0.00 0.00 46 K 8.56 4.10 0.00 2.10 2.08 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.56 7.81 47 I 8.30 3.79 2.24 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 1.04 0.00 0.00 48 W 8.66 4.02 0.00 3.55 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 4.35 0.00 3.69 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 50 Q 8.63 4.13 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 51 N 8.38 4.33 0.00 2.61 2.64 0.00 0.00 7.02 8.49 0.00 0.00 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 H 7.70 3.57 0.00 1.91 1.71 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.92 4.31 0.00 2.44 2.72 0.00 2.73 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 54 Y 8.42 4.17 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.50 0.00 1.75 1.75 0.00 1.37 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.37 7.81 56 M 7.38 4.00 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 57 K 7.60 4.03 0.00 1.82 1.96 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 58 R 7.57 3.98 0.00 1.12 1.63 0.00 3.07 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 59 Q 7.71 3.65 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.22 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 A 8.79 3.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.77 3.75 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.43 7.81 62 D 8.29 4.68 0.00 2.70 2.76 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 63 K 7.68 4.42 0.00 1.87 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.44 7.81 64 A 7.55 4.50 1.07 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 0.00 0.00 0.00 0.00 0.00 65 A 8.89 4.36 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 66 Q 7.37 4.47 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 67 Q 8.09 4.20 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00