NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4720 8.3349 115.3044 57.8099 63.8077 173.3558 8 D 4.6893 8.4344 125.5253 52.8312 42.0721 174.2285 9 F 5.2845 8.0538 114.2658 55.4216 41.8296 173.3737 10 V 4.4828 8.8586 119.6476 61.1165 34.7545 174.1884 11 V 4.8174 8.6524 126.6388 61.3099 33.7896 174.3206 12 I 4.9239 9.0948 128.6757 59.4265 40.4683 174.2088 13 K 4.9631 9.0774 129.3124 54.1505 34.3855 175.0462 14 A 4.3099 8.7130 130.7291 52.3800 19.0115 177.2931 15 L 4.7282 8.8933 122.8934 54.7224 42.4121 176.0827 16 E 4.6580 7.6264 115.7185 55.1020 32.1666 174.4076 17 D 4.4117 8.3685 119.3327 55.5600 41.3632 176.8736 18 G 3.8569 8.4841 109.8127 45.8385 0.0000 173.9249 19 V 3.8639 7.5097 119.3416 63.0479 32.8555 174.5142 20 N 5.2771 8.9978 124.3711 51.4820 41.4232 173.6065 21 V 4.4879 8.8606 124.8666 61.4931 33.3733 174.2325 22 I 4.6452 8.7794 130.0468 59.4257 39.6001 175.0105 23 G 4.2274 8.6216 114.3365 44.9042 0.0000 172.5083 24 L 5.4718 8.8594 125.9219 53.1338 44.1333 176.2167 25 T 4.5821 8.7151 114.3413 61.6762 69.2491 174.2407 26 R 4.2833 8.1225 127.6612 55.8343 30.8491 176.3530 27 G 3.9554 8.8118 111.3949 43.4809 0.0000 172.6483 28 A 4.0841 8.4122 122.3763 54.6715 18.5120 177.9537 29 D 4.8904 7.7815 113.6835 53.3555 42.6018 175.7723 30 T 4.8417 8.0713 117.8719 61.9144 71.4949 173.3808 31 R 4.5011 8.4915 120.8835 55.0394 33.4917 173.9753 32 F 5.2387 8.4555 119.1693 58.0185 39.0321 175.2794 33 H 4.9948 9.0831 118.2822 56.2256 30.4592 173.8716 34 H 4.8294 7.6717 117.4710 55.0569 33.3691 172.1246 35 S 4.7809 8.0924 118.3091 56.4869 64.9170 172.4047 36 E 4.4082 9.1361 129.8949 54.8594 30.9459 174.5418 37 K 4.8962 8.5860 128.5898 55.3529 33.8375 175.3831 38 L 4.9687 9.2476 127.1871 53.1491 44.9671 175.9219 39 D 5.0665 9.4042 123.6446 52.2696 43.4438 175.9630 40 K 3.8349 9.0871 121.7580 58.6293 32.3151 176.9445 41 G 4.0254 8.9938 115.3172 45.2752 0.0000 173.5909 42 E 4.2628 8.1318 119.3007 56.3238 30.8701 176.0840 43 V 4.9072 8.2303 121.1781 61.0424 34.5327 174.2348 44 L 4.7593 9.0619 129.7590 53.2554 44.8402 174.7745 45 I 5.0418 8.4691 126.4100 59.5966 39.1688 174.7621 46 A 4.7042 8.9982 129.0883 50.1549 21.9693 175.5527 47 Q 4.7790 8.6709 121.1633 55.0644 30.4295 175.6153 48 F 4.7786 8.4985 119.8714 57.8022 39.9623 175.3541 49 T 4.7045 8.7449 111.1413 60.0944 72.0381 173.1737 50 E 4.0351 9.0307 121.4861 59.7583 29.4747 177.6096 51 H 4.4007 8.2080 114.3793 57.0656 29.6257 174.3040 52 T 5.2439 8.3768 116.7605 62.0839 70.3931 174.7281 53 S 4.9488 8.9765 120.5450 58.2154 64.8420 173.5925 54 A 5.0866 7.9107 121.6304 51.0566 22.6234 175.0521 55 I 4.9568 8.5704 120.9258 59.3453 40.6051 174.7155 56 K 4.5677 9.1060 128.5207 54.4883 34.7111 174.6577 57 V 4.7760 8.3573 126.5696 61.0471 33.7485 174.3467 58 R 4.4727 8.9331 128.3033 55.3574 32.7360 174.5815 59 G 4.0328 9.0210 111.4258 43.8441 0.0000 172.4175 60 K 4.8612 9.6021 120.5986 55.2105 33.0691 175.5328 61 A 5.1208 8.4492 127.1123 50.7964 23.3807 173.8033 62 Y 4.7064 9.0448 122.2522 56.4522 40.5667 174.4865 63 I 5.0802 8.3820 127.2363 59.5498 41.1003 174.3374 64 Q 5.0564 9.0099 125.2233 54.4433 31.8564 174.9312 65 T 4.9245 8.5561 113.3082 59.7385 72.2440 174.5100 66 R 3.7722 8.5097 120.1437 59.3742 30.0729 176.8023 67 H 4.6898 7.8586 113.2400 55.2619 29.4908 173.8423 68 G 3.8366 7.7293 106.1025 44.1203 0.0000 173.2189 69 V 4.6162 8.0370 112.6911 60.2376 33.6238 175.5072 70 I 4.5735 8.2996 122.3070 59.6887 41.9647 173.2200 71 E 5.1216 8.5685 126.1634 54.5193 32.4990 175.7009 72 S 4.7022 8.6990 119.1327 57.5248 65.3511 172.9143 73 E 4.9052 8.5077 120.1885 54.1269 32.8117 176.2788 74 G 3.7294 8.6868 110.8208 45.9736 0.0000 173.3327 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 7 S 8.33 4.47 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.69 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 5.28 0.00 3.04 2.96 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 10 V 8.86 4.48 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 1.00 0.00 0.00 0.74 0.00 0.00 11 V 8.65 4.82 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 1.04 0.00 0.00 1.18 0.00 0.00 12 I 9.09 4.92 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.55 0.92 0.00 0.00 13 K 9.08 4.96 0.00 1.85 1.76 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.71 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.73 0.00 1.65 1.72 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.63 4.66 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 17 D 8.37 4.41 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.86 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 0.00 0.00 0.00 19 V 7.51 3.86 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 0.97 0.00 0.00 1.03 0.00 0.00 20 N 9.00 5.28 0.00 2.59 2.58 0.00 0.00 6.39 7.23 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 21 V 8.86 4.49 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.78 4.65 1.38 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 -0.09 0.00 0.00 23 G 8.62 4.23 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 0.00 24 L 8.86 5.47 0.00 1.88 1.72 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.58 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 1.35 0.00 0.00 26 R 8.12 4.28 0.00 1.88 2.00 0.00 3.23 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.81 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 28 A 8.41 4.08 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 29 D 7.78 4.89 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.07 4.84 4.25 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 0.00 0.00 0.00 1.26 0.00 0.00 31 R 8.49 4.50 0.00 1.78 1.95 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.46 5.24 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.08 4.99 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.83 0.00 3.31 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.09 4.78 0.00 3.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.41 0.00 2.15 1.79 0.00 0.00 0.00 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 2.29 0.00 37 K 8.59 4.90 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 38 L 9.25 4.97 0.00 1.54 1.50 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.40 5.07 0.00 2.55 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.09 3.83 0.00 1.63 1.81 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 8.99 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 0.00 0.00 0.00 42 E 8.13 4.26 0.00 2.06 1.87 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 2.32 2.25 0.00 43 V 8.23 4.91 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.06 4.76 0.00 1.74 1.46 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.04 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.71 0.00 0.00 46 A 9.00 4.70 1.12 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.67 4.78 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 48 F 8.50 4.78 0.00 3.03 2.94 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 0.00 0.00 0.00 49 T 8.74 4.70 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 E 9.03 4.04 0.00 1.94 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 2.12 2.30 0.00 51 H 8.21 4.40 0.00 3.29 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.38 5.24 4.36 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 1.34 0.00 0.00 53 S 8.98 4.95 0.00 3.89 4.10 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 54 A 7.91 5.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 4.96 1.82 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.83 0.00 0.00 56 K 9.11 4.57 0.00 1.69 1.38 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.36 4.78 2.06 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 0.81 0.00 0.00 0.89 0.00 0.00 58 R 8.93 4.47 0.00 1.84 1.68 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 9.02 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 0.00 0.00 0.00 60 K 9.60 4.86 0.00 1.85 1.71 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.45 5.12 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 62 Y 9.04 4.71 0.00 3.07 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.38 5.08 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.86 0.00 0.00 64 Q 9.01 5.06 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 65 T 8.56 4.92 4.10 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 1.15 0.00 0.00 66 R 8.51 3.77 0.00 1.61 1.80 0.00 3.19 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.86 4.69 0.00 3.16 3.27 0.00 5.68 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 68 G 7.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.04 4.62 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.57 0.00 0.00 70 I 8.30 4.57 1.80 0.00 0.00 0.84 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 1.52 0.85 0.00 0.00 71 E 8.57 5.12 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 72 S 8.70 4.70 0.00 3.91 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 73 E 8.51 4.91 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 74 G 8.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00