NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2114 8.3101 121.7849 55.6104 33.8950 174.9094 20 A 4.5699 7.5987 118.9892 49.8597 21.8010 174.4625 21 K 4.4072 8.5217 120.3655 55.2820 33.7031 177.0135 22 V 3.5027 7.8728 124.6987 65.4701 31.4631 177.4118 23 K 4.1421 7.8721 119.6956 59.5768 32.5114 177.0178 24 A 4.6963 7.2561 120.6725 50.5313 16.3195 177.3628 25 T 4.5067 7.3562 112.3914 63.4573 74.1387 173.8508 26 L 4.8824 7.7414 120.0943 52.9284 46.3712 177.6493 27 G 4.0096 8.4378 111.3090 45.6283 0.0000 174.4603 28 E 4.2761 8.6414 115.4231 56.4066 27.2622 176.4526 29 F 4.5207 7.5516 114.1564 55.8084 39.9348 176.0494 30 D 4.4729 8.6222 124.4502 53.0280 40.3228 175.8730 31 L 4.2814 8.3034 125.2951 56.3415 40.2274 177.6358 32 R 4.2855 7.6575 118.6992 56.7416 30.6592 175.3870 33 D 4.4803 7.8776 118.1146 53.7392 41.8050 175.7065 34 Y 4.8141 7.3873 126.6672 56.7481 38.8604 176.3835 35 R 4.6664 7.7618 116.3071 57.3905 34.6074 176.8931 36 N 4.3765 8.4705 114.2538 54.6585 39.4979 180.1381 37 V 2.8562 8.4176 110.2343 61.8828 32.7532 175.4820 38 E 4.0026 9.1483 132.2823 59.9067 30.1806 178.1768 39 V 3.6556 8.6227 120.0044 65.9055 31.6715 177.9814 40 L 3.6950 7.6960 118.0089 57.5919 41.5135 179.0661 41 K 4.0573 9.7351 119.5721 59.7617 31.6897 177.7283 42 R 4.3102 7.7245 115.1452 56.9711 29.9867 176.2499 43 F 4.8077 8.8716 115.4241 57.6501 39.8011 175.7960 44 L 4.8646 8.0412 120.4838 53.6873 42.3953 177.8358 45 S 3.6288 8.0240 113.7711 59.5011 63.6040 171.0125 46 E 4.8194 8.4982 115.1501 56.6201 30.0516 176.5466 47 T 5.0452 7.3405 104.7482 59.9951 71.1483 175.3357 48 G 4.0247 7.9088 109.6668 45.1383 0.0000 174.3253 49 K 4.0472 7.4147 119.9039 56.1746 32.5546 176.3168 50 I 3.9608 8.1962 124.4060 61.4087 37.4754 176.0269 51 L 4.2455 8.4499 127.5320 53.9977 42.6072 175.3224 52 P 4.5253 0.0000 0.0000 62.7530 32.5446 177.2854 53 R 4.5842 8.4921 117.5741 58.1420 30.3861 179.0285 54 R 4.5217 7.9079 114.0052 56.5369 29.7132 176.5800 55 R 4.6980 7.7162 116.8905 57.7653 37.0601 177.4405 56 T 3.8197 8.2258 107.9941 63.4079 69.5559 175.2207 57 G 4.2677 8.6573 110.9451 45.9829 0.0000 173.5098 58 L 3.8613 7.0964 117.1805 51.7480 42.7164 177.7651 59 S 4.3961 8.7329 118.0494 57.9456 64.7777 175.3215 60 A 3.9281 8.3946 122.1553 55.4809 17.8122 179.3345 61 K 3.7731 8.1750 117.5706 60.0675 32.0320 178.3044 62 E 3.9460 8.0459 118.8318 59.2429 29.0414 178.8030 63 Q 3.9411 8.4181 119.5439 59.6081 29.0959 179.8194 64 R 3.9142 7.8538 118.9278 59.4562 30.0180 178.8401 65 I 3.6895 7.0741 117.9939 65.1579 37.3703 177.3047 66 L 3.8404 8.2619 120.8922 57.5407 41.6327 178.3955 67 A 4.0230 8.0698 118.9639 55.4244 18.4232 179.4312 68 K 4.2206 7.9754 112.6312 57.7977 32.1160 177.5524 69 T 4.4509 8.2590 110.0228 62.7623 71.0132 176.0170 70 I 3.6047 7.9333 122.5707 64.2494 37.0443 177.8133 71 K 3.6863 8.1796 119.1415 59.8767 31.7455 179.0994 72 R 3.8118 7.9507 115.6812 59.5788 30.3415 178.4680 73 A 4.2210 8.0392 120.1405 55.0735 18.4871 179.8329 74 R 4.7420 8.1497 118.3264 59.1419 29.8359 179.3565 75 I 4.0568 7.7565 118.9250 64.0629 37.4353 177.6072 76 L 4.3032 7.8525 117.7278 55.0282 41.3186 178.4944 77 G 4.1237 8.0686 108.4810 45.7759 0.0000 174.9885 78 L 4.0332 7.3037 118.4856 57.9661 42.1585 177.5361 79 L 4.3789 7.5225 118.2269 53.2444 42.7143 175.4027 80 P 4.8936 0.0000 0.0000 62.5892 32.6440 175.5277 81 F 4.4912 8.2598 114.6121 58.5737 41.2066 175.1801 82 T 4.4325 7.4772 111.8577 61.9139 70.3527 172.8008 83 E 4.6481 8.5219 118.0239 55.3110 31.9806 174.9629 84 K 4.0333 8.9441 124.3812 56.3827 32.7988 176.6917 85 L 4.0106 8.6316 124.7847 55.5556 42.5545 176.3809 86 V 4.2154 7.8421 122.1327 61.8339 33.9354 173.1553 87 R 3.7100 8.6674 130.2164 56.1724 27.5706 175.9896 88 K 4.2045 8.2917 121.8977 56.1958 32.6542 176.4229 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 19 K 8.31 4.21 0.00 1.70 1.86 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.60 4.57 1.20 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 0.00 0.00 21 K 8.52 4.41 0.00 1.78 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.36 7.81 22 V 7.87 3.50 1.69 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 -0.06 0.00 0.00 0.77 0.00 0.00 23 K 7.87 4.14 0.00 2.21 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 A 7.26 4.70 1.28 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 25 T 7.36 4.51 4.38 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 1.16 0.00 0.00 26 L 7.74 4.88 0.00 1.78 1.76 0.65 0.86 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 27 G 8.44 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 28 E 8.64 4.28 0.00 1.98 1.93 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 2.28 2.30 0.00 29 F 7.55 4.52 0.00 3.13 3.11 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 30 D 8.62 4.47 0.00 2.75 2.63 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 31 L 8.30 4.28 0.00 1.85 2.01 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.66 4.29 0.00 1.76 2.35 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 33 D 7.88 4.48 0.00 2.75 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 7.39 4.81 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.67 0.00 1.81 1.87 0.00 3.13 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 36 N 8.47 4.38 0.00 2.75 2.82 0.00 0.00 7.34 7.68 0.00 0.00 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 8.42 2.86 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 0.81 0.00 0.00 0.93 0.00 0.00 38 E 9.15 4.00 0.00 1.93 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 2.33 2.39 0.00 39 V 8.62 3.66 2.01 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 0.79 0.00 0.00 0.95 0.00 0.00 40 L 7.70 3.69 0.00 1.84 1.58 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.74 4.06 0.00 1.99 1.94 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 42 R 7.72 4.31 0.00 1.98 2.02 0.00 3.08 0.00 0.00 3.10 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 43 F 8.87 4.81 0.00 3.07 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 44 L 8.04 4.86 0.00 1.72 1.63 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.02 3.63 0.00 4.06 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 46 E 8.50 4.82 0.00 1.93 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 2.18 2.19 0.00 47 T 7.34 5.05 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 1.22 0.00 0.00 48 G 7.91 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 0.00 0.00 0.00 49 K 7.41 4.05 0.00 1.88 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.42 7.81 50 I 8.20 3.96 1.87 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 1.30 0.69 0.93 0.00 0.00 51 L 8.45 4.25 0.00 1.71 1.62 0.93 1.08 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 52 P 0.00 4.53 0.00 2.08 2.01 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 53 R 8.49 4.58 0.00 1.89 1.99 0.00 3.42 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 54 R 7.91 4.52 0.00 1.80 1.95 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 R 7.72 4.70 0.00 1.77 1.85 0.00 3.26 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 56 T 8.23 3.82 4.41 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 1.44 0.00 0.00 57 G 8.66 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 0.00 0.00 0.00 0.00 58 L 7.10 3.86 0.00 1.73 1.72 1.16 1.05 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 59 S 8.73 4.40 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.93 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 61 K 8.17 3.77 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 62 E 8.05 3.95 0.00 2.27 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 2.31 2.30 0.00 63 Q 8.42 3.94 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 64 R 7.85 3.91 0.00 1.84 1.95 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 65 I 7.07 3.69 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.91 0.00 0.00 66 L 8.26 3.84 0.00 1.73 1.76 0.35 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.07 4.02 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 68 K 7.98 4.22 0.00 1.84 1.86 0.00 1.52 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 69 T 8.26 4.45 4.33 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 1.39 0.00 0.00 70 I 7.93 3.60 1.93 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 1.53 0.70 0.85 0.00 0.00 71 K 8.18 3.69 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.54 7.81 72 R 7.95 3.81 0.00 1.88 1.73 0.00 3.13 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 73 A 8.04 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.74 0.00 1.71 1.89 0.00 2.97 0.00 0.00 2.89 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 75 I 7.76 4.06 2.08 0.00 0.00 0.88 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 0.75 0.94 0.00 0.00 76 L 7.85 4.30 0.00 1.94 1.74 0.94 0.80 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 77 G 8.07 4.12 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 0.00 78 L 7.30 4.03 0.00 1.70 1.78 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.52 4.38 0.00 1.73 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.89 0.00 2.25 2.20 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 81 F 8.26 4.49 0.00 2.92 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.43 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 1.29 0.00 0.00 83 E 8.52 4.65 0.00 2.01 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 0.00 2.14 2.22 0.00 84 K 8.94 4.03 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 85 L 8.63 4.01 0.00 1.58 1.60 0.92 0.86 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 86 V 7.84 4.22 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 8.67 3.71 0.00 1.97 1.95 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 88 K 8.29 4.20 0.00 1.74 1.64 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81