NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2391 0.0000 0.0000 61.3777 33.4682 176.2523 17 S 3.3947 7.7633 107.3092 59.0535 59.8736 170.1474 18 R 4.6319 8.3842 129.5222 55.2117 31.0589 177.5357 19 K 4.0271 7.6387 118.3428 56.0775 32.9235 178.0755 20 A 5.2748 7.8293 135.0000 52.2353 20.1161 174.4962 21 K 4.5675 7.1633 118.4596 55.2399 32.4428 177.8301 22 V 3.5120 8.5399 125.1478 65.4080 31.6475 177.1710 23 K 4.2521 7.8343 120.1093 59.2827 32.0322 177.6575 24 A 4.0804 7.7039 121.0678 55.8165 18.9892 178.7285 25 T 4.1927 7.6425 111.7670 61.3399 66.2446 172.7178 26 L 4.6379 6.5550 124.5366 55.3113 46.3800 173.8834 27 G 4.2761 8.2669 109.9905 45.6240 0.0000 175.7635 28 E 4.2146 9.3209 121.6695 55.2119 30.4697 174.8069 29 F 4.5910 7.5692 116.3855 56.3864 39.8391 173.7126 30 D 4.5207 8.3174 123.5095 53.1122 39.7239 176.4433 31 L 4.2326 8.3264 126.7924 57.0371 41.8611 178.3583 32 R 4.3115 7.9483 116.6550 55.8436 30.4743 175.5036 33 D 4.3990 8.5607 118.5673 53.5127 40.0587 176.1314 34 Y 4.4825 7.8094 124.1242 58.1209 38.4467 176.5551 35 R 4.4127 7.3279 118.6129 57.1457 31.7602 177.5208 36 N 4.8686 7.3989 118.3439 51.8395 34.9094 174.7113 37 V 3.5834 7.7389 125.1188 66.0238 31.6063 176.7081 38 E 4.0003 8.3214 116.3093 58.4585 29.0968 178.4785 39 V 3.9746 7.3779 119.1461 63.0398 32.8832 177.8156 40 L 4.1166 8.1425 119.6970 57.4839 41.4180 179.0295 41 K 3.7250 8.1969 119.6717 60.0674 31.7629 178.6232 42 R 3.8514 7.4258 116.7977 58.4157 30.1599 177.9318 43 F 4.5192 8.6558 116.6336 56.6652 39.1590 175.1915 44 L 5.0394 6.9236 118.9667 53.1326 43.4528 177.0604 45 S 4.6144 8.3439 116.0300 57.3485 65.3907 173.2877 46 E 4.0053 8.8966 118.6020 60.2809 29.4296 177.8854 47 T 4.5756 6.9847 113.8544 62.0045 69.5801 174.4151 48 G 3.9602 8.4175 108.7513 46.2728 0.0000 173.7939 49 K 4.4487 7.7766 119.3061 54.9508 33.9016 176.7139 50 I 4.1614 8.2561 125.1484 61.2481 37.4728 176.1418 51 L 4.2968 8.9834 127.9770 53.9582 42.5104 175.4768 52 P 4.5677 0.0000 0.0000 62.1036 32.3437 177.8913 53 R 4.8207 8.4127 119.4294 58.9282 29.5408 179.2704 54 R 3.9440 8.0517 117.0217 59.2897 30.2654 178.0140 55 R 4.4092 7.7423 116.1922 58.1531 30.9472 178.7422 56 T 4.1315 8.4943 110.2670 62.8688 68.6108 176.5177 57 G 4.0259 8.4957 108.1466 45.4092 0.0000 174.1335 58 L 4.4934 7.6536 119.0137 54.2732 42.9170 176.3473 59 S 4.9354 7.8723 113.1777 57.1859 67.2210 174.9850 60 G 3.8933 8.1950 107.2048 47.7624 0.0000 176.0963 61 K 3.9338 7.9507 121.7926 58.6501 32.5019 178.8244 62 E 3.9217 7.7342 117.3546 59.5613 29.4774 179.0543 63 Q 3.8769 8.6992 119.8780 59.3259 29.2268 178.3756 64 R 4.0066 8.0316 119.5536 59.4998 30.0164 178.4662 65 I 3.9235 7.5655 119.6947 63.6029 37.1457 178.1039 66 L 3.8576 8.0996 122.4379 57.5886 42.0273 178.5663 67 A 3.9523 8.3315 121.0991 55.3998 18.0514 179.5961 68 K 3.9482 7.6936 117.1197 59.6589 32.0705 179.2644 69 T 3.9717 7.9623 110.3119 64.7258 68.7811 176.6834 70 I 3.6943 8.1473 123.1087 64.2294 37.0465 178.6032 71 K 3.8921 7.8675 118.5169 59.2652 31.5630 179.7160 72 R 3.8334 7.6449 118.4915 58.9845 29.9929 178.7571 73 A 4.0418 7.9319 120.6782 55.0475 18.2498 179.8530 74 R 4.1610 7.6990 117.8326 59.0075 29.8890 179.3765 75 I 3.9919 7.2679 117.3472 63.3491 37.1382 177.3638 76 L 4.4689 7.3609 118.3107 53.9182 41.9293 177.4909 77 G 4.0051 8.1806 107.5207 45.8283 0.0000 174.6980 78 L 4.3109 7.7571 119.0142 55.7953 42.5014 176.9312 79 L 4.8253 7.3713 117.9144 51.9981 45.6163 173.9844 80 P 4.8796 0.0000 0.0000 62.5696 32.4254 176.1210 81 F 4.3903 8.8759 117.9266 59.6700 39.7930 176.3006 82 T 4.6809 7.5275 111.5381 61.0358 69.9584 172.2235 83 E 4.7455 8.4920 125.6818 54.0488 33.5345 175.2796 84 K 4.1400 8.5841 122.5620 56.6975 33.2931 176.1300 85 L 4.1992 8.2845 123.5189 54.5406 42.8070 176.3252 86 V 4.0557 8.1560 125.4518 63.1335 33.1481 176.8450 87 R 3.9289 7.9283 121.1963 55.9935 27.6136 176.1486 88 K 4.1555 8.6200 120.4080 57.6081 32.7124 176.9615 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 16 P 0.00 4.24 0.00 2.20 2.26 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 17 S 7.76 3.39 0.00 4.01 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 18 R 8.38 4.63 0.00 1.82 1.90 0.00 3.43 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 19 K 7.64 4.03 0.00 1.74 1.75 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 20 A 7.83 5.27 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.16 4.57 0.00 1.91 1.76 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.67 7.81 22 V 8.54 3.51 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 -0.14 0.00 0.00 0.83 0.00 0.00 23 K 7.83 4.25 0.00 2.08 1.93 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.60 7.81 24 A 7.70 4.08 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 25 T 7.64 4.19 4.18 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 1.17 0.00 0.00 26 L 6.55 4.64 0.00 1.56 1.89 0.91 0.60 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 27 G 8.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.32 4.21 0.00 1.94 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 2.28 2.33 0.00 29 F 7.57 4.59 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.52 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.23 0.00 1.64 1.76 0.90 0.99 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 32 R 7.95 4.31 0.00 1.81 2.03 0.00 3.27 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 33 D 8.56 4.40 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.81 4.48 0.00 3.06 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 35 R 7.33 4.41 0.00 1.74 1.97 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.34 0.00 36 N 7.40 4.87 0.00 3.05 2.72 0.00 0.00 7.04 7.59 0.00 0.00 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 V 7.74 3.58 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 1.08 0.00 0.00 1.03 0.00 0.00 38 E 8.32 4.00 0.00 2.16 2.18 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 2.34 2.30 0.00 39 V 7.38 3.97 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 0.96 0.00 0.00 0.56 0.00 0.00 40 L 8.14 4.12 0.00 1.73 1.80 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.20 3.73 0.00 2.05 1.78 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 R 7.43 3.85 0.00 1.23 1.57 0.00 3.22 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 43 F 8.66 4.52 0.00 3.18 3.04 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 0.00 0.00 0.00 44 L 6.92 5.04 0.00 1.74 1.59 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.34 4.61 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 4.01 0.00 1.96 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 2.32 2.40 0.00 47 T 6.98 4.58 4.26 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 0.00 0.00 0.00 1.29 0.00 0.00 48 G 8.42 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 49 K 7.78 4.45 0.00 1.78 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 50 I 8.26 4.16 1.88 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 1.34 0.46 0.92 0.00 0.00 51 L 8.98 4.30 0.00 1.65 1.66 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.57 0.00 2.20 2.00 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.41 4.82 0.00 1.84 2.01 0.00 3.72 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 54 R 8.05 3.94 0.00 1.79 2.04 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 55 R 7.74 4.41 0.00 1.85 1.97 0.00 3.30 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 56 T 8.49 4.13 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 57 G 8.50 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 58 L 7.65 4.49 0.00 1.67 1.68 0.65 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.87 4.94 0.00 3.96 3.91 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 60 G 8.19 3.89 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 0.00 0.00 0.00 61 K 7.95 3.93 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.73 3.92 0.00 2.31 1.95 0.00 0.00 0.00 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 2.30 0.00 63 Q 8.70 3.88 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 64 R 8.03 4.01 0.00 2.05 2.06 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 7.57 3.92 1.99 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 1.39 0.57 0.91 0.00 0.00 66 L 8.10 3.86 0.00 1.51 1.65 0.44 0.25 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 67 A 8.33 3.95 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 68 K 7.69 3.95 0.00 1.94 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 69 T 7.96 3.97 4.32 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 1.39 0.00 0.00 70 I 8.15 3.69 1.97 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 1.52 0.95 0.85 0.00 0.00 71 K 7.87 3.89 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.64 7.81 72 R 7.64 3.83 0.00 1.93 1.64 0.00 3.14 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.86 0.00 73 A 7.93 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.70 4.16 0.00 1.51 0.66 0.00 2.70 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 75 I 7.27 3.99 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.72 0.96 0.00 0.00 76 L 7.36 4.47 0.00 1.79 1.73 1.01 0.87 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 77 G 8.18 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.76 4.31 0.00 1.70 1.75 1.00 0.91 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 79 L 7.37 4.83 0.00 1.54 1.39 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.88 0.00 2.22 2.08 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 81 F 8.88 4.39 0.00 2.97 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 82 T 7.53 4.68 4.32 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 1.26 0.00 0.00 83 E 8.49 4.75 0.00 1.98 1.77 0.00 0.00 0.00 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 2.24 0.00 84 K 8.58 4.14 0.00 1.87 1.83 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 85 L 8.28 4.20 0.00 1.61 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.16 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00 87 R 7.93 3.93 0.00 1.95 2.18 0.00 3.39 0.00 0.00 3.15 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 88 K 8.62 4.16 0.00 1.76 2.13 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.36 7.81