NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1116 8.3101 121.7893 54.6362 34.0565 175.2637 20 A 5.1224 7.4523 130.6443 51.3643 20.0421 173.8659 21 K 4.1334 7.8472 121.4373 57.0649 33.6807 177.0762 22 V 3.9158 7.8277 120.3820 63.4410 31.4994 177.0651 23 K 4.1619 7.5138 120.4818 60.2537 32.4351 178.1058 24 A 4.1580 7.8558 118.5210 53.1565 18.0096 178.0803 25 T 4.3803 7.9031 117.1563 65.3994 69.4512 174.8619 26 L 5.0094 7.6201 119.1329 52.5122 46.3803 178.6477 27 G 4.0007 8.5039 110.3078 45.4394 0.0000 172.5008 28 E 4.0707 8.6281 123.3867 55.5132 30.5885 176.0908 29 F 4.7542 7.5001 118.5688 56.2073 40.7371 173.0929 30 D 4.7694 8.6660 120.9199 52.5221 40.4669 176.4967 31 L 4.3365 8.5390 127.1107 57.3228 40.9745 178.0386 32 R 4.1237 7.8244 119.2200 57.7611 30.3908 175.9292 33 D 4.4496 7.8342 118.1623 54.6348 41.7131 175.6549 34 Y 4.9470 7.6558 124.5509 56.2216 38.4823 176.3944 35 R 4.6337 7.6322 117.0559 57.0301 36.3147 177.1244 36 N 4.6947 8.4249 117.6357 52.4380 32.8757 175.6684 37 V 3.5255 7.6470 119.2524 65.5081 32.0144 177.8812 38 E 3.8702 7.9735 117.1718 59.1094 30.0158 178.4820 39 V 3.5788 7.5637 117.7035 66.0389 31.6612 177.8518 40 L 4.2561 8.1202 118.6348 57.8879 41.4539 179.2850 41 K 3.8878 8.0625 119.5271 59.2942 31.5927 177.6409 42 R 4.1432 7.3002 116.3245 56.6027 29.5046 176.3814 43 F 4.9614 8.4192 111.6174 56.6699 41.8471 174.8413 44 L 5.6397 7.8882 120.7453 54.3738 42.3357 176.9450 45 S 3.5091 7.9034 112.7235 59.5552 63.7276 172.1146 46 E 4.7135 8.5909 118.9180 56.7566 29.7868 177.0005 47 T 4.4129 9.3620 111.0228 62.4657 70.9409 174.7718 48 G 3.8221 7.6501 107.5471 44.9940 0.0000 174.2932 49 K 4.0085 8.2790 121.4194 56.5024 33.1413 176.2377 50 I 4.0838 8.5336 125.4302 61.4349 36.6491 175.5927 51 L 4.0901 9.0071 127.3701 54.4419 42.2920 176.2362 52 P 4.5029 0.0000 0.0000 62.4756 32.3678 177.2825 53 R 4.5772 8.4654 117.2803 59.3287 30.0670 178.5965 54 R 4.2160 8.0294 111.7017 57.6326 29.7280 177.0569 55 R 4.7196 7.7705 114.3336 55.9595 33.1725 175.8306 56 T 4.7087 7.4123 103.3513 59.8143 70.1437 175.3347 57 G 4.0649 9.1295 108.6172 46.4126 0.0000 173.8582 58 L 4.1415 8.0392 119.0677 54.8681 42.4008 177.2912 59 S 4.3956 8.4983 114.1622 58.2500 64.4691 174.0258 60 A 3.9760 8.5916 124.3810 54.4223 17.6155 179.1168 61 K 3.7900 8.0217 115.7099 59.9487 32.3936 178.6107 62 E 3.9304 8.2082 118.0430 59.1101 29.6364 178.6118 63 Q 3.8720 8.2576 119.2838 60.4245 29.1044 178.8322 64 R 4.0175 8.1955 118.8481 57.7807 29.7126 178.2825 65 I 3.7036 7.5744 115.2415 64.8853 37.6605 177.5155 66 L 3.8625 7.9503 122.0072 57.7848 41.8503 178.4435 67 A 3.9771 8.3983 120.4494 55.1068 18.5780 179.2806 68 K 3.7946 8.4135 118.6725 60.0240 32.0865 179.0494 69 T 3.9648 7.6123 109.7937 64.8959 68.8592 176.7434 70 I 3.3943 8.1046 123.2545 63.8915 36.8071 178.5983 71 K 3.9562 8.2985 118.8373 59.5230 32.4014 178.9393 72 R 3.9740 7.6521 117.7445 59.4825 30.0428 178.3392 73 A 4.0355 8.6524 120.9220 55.7725 17.8529 179.8909 74 R 4.0589 7.5181 117.2759 58.7298 29.7021 179.4267 75 I 3.9327 7.4427 118.5458 64.4232 37.1570 178.1240 76 L 4.2358 7.7944 119.0379 56.4962 41.6070 177.7390 77 G 4.0730 7.3824 103.1106 45.4083 0.0000 175.1254 78 L 4.0453 7.9923 119.7964 57.6467 41.9995 177.5841 79 L 4.3602 7.4734 118.0080 53.0381 42.9666 175.3475 80 P 4.8587 0.0000 0.0000 62.0054 33.6644 174.7612 81 F 4.6473 8.5293 113.6074 59.4923 41.3912 175.4627 82 T 4.9516 7.5757 113.1284 62.4765 72.1868 172.9337 83 E 4.9685 9.3623 122.2266 53.8207 32.9115 175.6657 84 K 4.1238 8.6476 119.9460 56.8802 33.4079 176.3190 85 L 4.0476 8.3916 124.7102 55.1112 42.5936 177.4960 86 V 4.0306 8.3617 119.6151 60.4733 33.4210 174.7395 87 R 3.6317 7.8494 118.9654 55.7409 30.7429 176.2045 88 K 4.1787 8.5695 123.2430 57.0840 32.9247 176.3786 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 4.11 0.00 1.71 1.91 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.45 5.12 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 21 K 7.85 4.13 0.00 1.82 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 V 7.83 3.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.00 0.00 0.00 23 K 7.51 4.16 0.00 2.25 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 24 A 7.86 4.16 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 25 T 7.90 4.38 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 1.14 0.00 0.00 26 L 7.62 5.01 0.00 1.83 1.72 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.07 0.00 1.88 1.82 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 2.18 2.15 0.00 29 F 7.50 4.75 0.00 3.10 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 30 D 8.67 4.77 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.34 0.00 1.86 2.14 0.94 0.71 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 32 R 7.82 4.12 0.00 1.84 2.08 0.00 3.28 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 33 D 7.83 4.45 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.95 0.00 3.02 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 35 R 7.63 4.63 0.00 1.53 1.85 0.00 3.08 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 0.00 36 N 8.42 4.69 0.00 2.96 2.96 0.00 0.00 6.78 7.16 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 37 V 7.65 3.53 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 0.85 0.00 0.00 0.91 0.00 0.00 38 E 7.97 3.87 0.00 1.91 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 0.00 2.26 2.38 0.00 39 V 7.56 3.58 2.32 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 0.54 0.00 0.00 0.84 0.00 0.00 40 L 8.12 4.26 0.00 1.74 1.75 0.96 0.76 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 41 K 8.06 3.89 0.00 1.80 1.86 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 42 R 7.30 4.14 0.00 1.61 1.13 0.00 3.05 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 43 F 8.42 4.96 0.00 3.22 2.91 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 44 L 7.89 5.64 0.00 1.65 1.59 1.04 0.88 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 45 S 7.90 3.51 0.00 4.08 3.95 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 0.00 0.00 0.00 46 E 8.59 4.71 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 47 T 9.36 4.41 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 7.65 3.82 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 0.00 0.00 0.00 49 K 8.28 4.01 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.59 7.81 50 I 8.53 4.08 1.89 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 1.36 0.74 0.92 0.00 0.00 51 L 9.01 4.09 0.00 1.69 1.70 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.20 2.04 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 53 R 8.47 4.58 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 54 R 8.03 4.22 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 55 R 7.77 4.72 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 56 T 7.41 4.71 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 57 G 9.13 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 0.00 0.00 0.00 58 L 8.04 4.14 0.00 1.59 1.71 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.50 4.40 0.00 3.91 3.76 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 60 A 8.59 3.98 1.30 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 0.00 0.00 0.00 61 K 8.02 3.79 0.00 1.82 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 62 E 8.21 3.93 0.00 2.27 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 2.39 2.36 0.00 63 Q 8.26 3.87 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 64 R 8.20 4.02 0.00 2.03 1.80 0.00 3.21 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 65 I 7.57 3.70 1.87 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 1.65 1.25 0.92 0.00 0.00 66 L 7.95 3.86 0.00 1.65 1.74 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.40 3.98 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 68 K 8.41 3.79 0.00 1.84 2.02 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 69 T 7.61 3.96 4.34 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 1.39 0.00 0.00 70 I 8.10 3.39 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.88 0.00 0.00 71 K 8.30 3.96 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 72 R 7.65 3.97 0.00 1.90 1.80 0.00 3.21 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 73 A 8.65 4.04 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 74 R 7.52 4.06 0.00 1.14 0.74 0.00 3.10 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 75 I 7.44 3.93 2.11 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 1.65 0.74 0.93 0.00 0.00 76 L 7.79 4.24 0.00 1.82 1.77 0.94 0.78 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 7.38 4.07 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 0.00 78 L 7.99 4.05 0.00 1.64 1.73 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.47 4.36 0.00 1.55 1.44 0.94 0.94 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 80 P 0.00 4.86 0.00 2.14 2.07 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 81 F 8.53 4.65 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 82 T 7.58 4.95 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 1.31 0.00 0.00 83 E 9.36 4.97 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 84 K 8.65 4.12 0.00 1.79 1.87 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 85 L 8.39 4.05 0.00 1.61 1.62 0.93 0.97 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 86 V 8.36 4.03 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 7.85 3.63 0.00 1.78 1.82 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 K 8.57 4.18 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.42 7.81