NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.3133 8.2549 117.2838 55.5738 30.8083 174.5611 21 L 4.0809 8.0639 117.4632 54.9467 42.1515 174.3320 22 G 4.0508 9.1880 107.3152 43.7085 0.0000 173.5489 23 V 3.7940 8.1691 119.4199 62.8313 31.9036 175.8913 24 K 4.5563 9.1422 124.9515 56.2048 32.9498 175.9454 25 R 5.3672 7.9647 116.2683 53.5247 34.3059 173.5190 26 Y 4.8844 7.6164 116.4418 54.5476 40.6999 174.9150 27 E 4.3513 8.9116 120.1557 58.7891 29.6884 178.0636 28 G 4.0567 9.5284 112.9726 45.0138 0.0000 173.2523 29 Q 4.0628 8.1941 121.7136 56.4727 30.3796 175.3202 30 V 4.5814 8.1621 123.6744 61.7087 32.6350 175.2768 31 V 4.6738 9.1219 121.5132 59.4465 35.4297 174.8567 32 R 5.2869 8.4513 117.2283 52.8767 32.8907 174.8617 33 A 4.2192 8.9790 123.2371 54.5039 18.5770 178.3602 34 G 4.0387 9.8462 113.2101 44.9914 0.0000 173.7342 35 N 4.5715 8.1091 117.8452 53.3181 39.7055 174.6168 36 I 4.4374 8.3238 123.3566 61.5683 37.7768 175.3457 37 L 4.5582 9.4178 125.7278 55.8694 44.4130 176.9239 38 V 4.7166 7.4806 117.2675 61.3702 35.3909 173.6448 39 R 5.0057 9.0771 127.3015 54.6149 31.8508 175.1380 40 Q 4.8783 8.5611 121.0909 54.6043 31.5264 175.5306 41 R 4.2186 8.8725 119.5494 58.3435 30.9336 176.5041 42 G 3.2972 7.2949 106.1067 44.2756 0.0000 171.7325 43 T 4.3117 7.6507 105.9531 61.0380 69.3957 175.8039 44 R 3.8300 8.0793 123.6474 60.0361 30.3872 175.8183 45 F 4.9164 9.2176 115.2596 55.5140 41.6200 175.4660 46 K 4.3684 8.5100 121.6798 54.3882 34.2332 174.2141 47 P 4.3368 0.0000 0.0000 62.4896 31.8046 176.7122 48 G 4.3413 8.1800 114.1078 44.6134 0.0000 172.4080 49 K 4.0665 8.8937 121.0140 57.5629 32.7867 176.9331 50 N 4.3442 9.0039 119.7145 54.0116 35.8687 173.0790 51 V 4.4870 7.4809 118.0729 61.0883 33.7333 175.4637 52 G 3.3119 8.6260 116.1383 44.8418 0.0000 171.9724 53 M 5.8687 7.2958 118.8303 53.5436 35.1736 175.1455 54 G 4.0576 8.9895 115.1666 44.5709 0.0000 174.2944 55 R 3.6049 8.3408 117.7782 58.7884 29.9859 177.7490 56 D 4.5226 7.8699 114.7275 53.3172 39.7175 176.6975 57 F 4.0315 7.9554 117.6681 58.2558 37.0064 174.6953 58 T 4.3767 8.4927 119.2143 63.6780 69.5186 173.4144 59 L 5.0920 8.9763 127.1386 53.4776 43.4370 175.7595 60 F 5.4900 8.5231 118.3164 54.6032 41.9579 173.8763 61 A 4.5560 9.0807 123.2508 52.2857 18.5123 178.6133 62 L 3.7890 9.1037 123.7804 56.9612 42.5217 177.2210 63 V 4.6388 7.4360 109.5640 59.3530 36.2704 174.7999 64 D 4.5944 8.7398 121.2959 54.0426 41.9944 177.2298 65 G 4.0896 8.1459 108.6195 46.2499 0.0000 170.9625 66 V 4.8258 7.6944 120.9858 60.9408 34.2224 176.7052 67 V 4.1824 8.8534 128.5636 62.8545 32.9435 174.4237 68 E 5.1103 9.0508 128.1137 54.8022 32.8849 173.6985 69 F 5.0798 10.2350 126.7574 56.3274 40.7712 175.3259 70 Q 4.5375 9.6222 124.3976 54.3402 31.8923 173.4121 71 D 4.8793 8.9808 127.3442 53.5221 41.9593 175.9702 72 R 4.5964 8.9134 124.5692 55.6725 32.0068 177.0312 73 G 3.9635 7.7334 111.9416 46.7639 0.0000 178.6854 74 R 3.9951 8.7744 125.5092 58.3212 29.9374 176.5076 75 L 4.2826 7.6161 116.3785 54.9060 41.7919 177.6276 76 G 3.9430 8.2675 104.8503 45.4110 0.0000 172.8931 77 R 4.9934 8.0635 117.4468 54.6741 31.9169 175.5036 78 Y 4.5691 9.3319 123.0309 57.3227 40.1128 175.1792 79 V 4.4742 8.1743 121.7503 61.6203 34.1272 174.2522 80 H 5.1650 9.4012 125.2417 54.0718 32.3120 174.0917 81 V 4.6146 8.5349 120.3047 60.9864 33.1567 174.9267 82 R 4.1360 9.0939 128.5222 55.0647 31.0771 174.5218 83 P 4.5308 0.0000 0.0000 62.8574 31.7640 175.8641 84 L 3.9991 8.2640 126.0096 55.6820 42.7777 176.9564 85 A 4.3076 8.4643 126.3343 52.3574 19.1417 176.9320 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 20 R 8.25 4.31 0.00 1.93 2.07 0.00 3.07 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 21 L 8.06 4.08 0.00 1.77 1.79 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.19 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 0.00 0.00 0.00 23 V 8.17 3.79 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 0.99 0.00 0.00 0.71 0.00 0.00 24 K 9.14 4.56 0.00 1.91 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 25 R 7.96 5.37 0.00 1.77 1.72 0.00 3.25 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 26 Y 7.62 4.88 0.00 3.08 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 27 E 8.91 4.35 0.00 2.07 2.12 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 2.61 2.39 0.00 28 G 9.53 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 29 Q 8.19 4.06 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 30 V 8.16 4.58 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 0.85 0.00 0.00 0.95 0.00 0.00 31 V 9.12 4.67 2.05 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 0.65 0.00 0.00 0.96 0.00 0.00 32 R 8.45 5.29 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.29 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.43 0.00 33 A 8.98 4.22 1.38 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 0.00 0.00 0.00 34 G 9.85 4.04 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 0.00 0.00 0.00 35 N 8.11 4.57 0.00 2.71 2.74 0.00 0.00 6.87 6.92 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 36 I 8.32 4.44 1.88 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 1.38 0.47 0.96 0.00 0.00 37 L 9.42 4.56 0.00 1.40 1.49 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.48 4.72 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 0.99 0.00 0.00 0.47 0.00 0.00 39 R 9.08 5.01 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 40 Q 8.56 4.88 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 41 R 8.87 4.22 0.00 1.78 2.01 0.00 3.35 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 1.65 1.57 0.00 42 G 7.29 3.30 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 0.00 43 T 7.65 4.31 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 1.31 0.00 0.00 44 R 8.08 3.83 0.00 1.72 2.39 0.00 3.24 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.48 0.00 45 F 9.22 4.92 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.37 0.00 0.79 1.06 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.96 0.86 7.81 47 P 0.00 4.34 0.00 1.86 1.97 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 48 G 8.18 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 0.00 0.00 0.00 0.00 49 K 8.89 4.07 0.00 1.88 1.77 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 50 N 9.00 4.34 0.00 3.04 2.90 0.00 0.00 6.54 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 51 V 7.48 4.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.87 0.00 0.00 52 G 8.63 3.31 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 0.00 53 M 7.30 5.87 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 54 G 8.99 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 55 R 8.34 3.60 0.00 1.72 1.87 0.00 3.16 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 56 D 7.87 4.52 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.96 4.03 0.00 3.50 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.38 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 1.30 0.00 0.00 59 L 8.98 5.09 0.00 1.54 1.48 0.95 1.00 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 60 F 8.52 5.49 0.00 3.15 3.07 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 61 A 9.08 4.56 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 62 L 9.10 3.79 0.00 1.51 1.74 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.44 4.64 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 0.72 0.00 0.00 0.99 0.00 0.00 64 D 8.74 4.59 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.69 4.83 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 1.07 0.00 0.00 0.95 0.00 0.00 67 V 8.85 4.18 2.23 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 0.51 0.00 0.00 0.87 0.00 0.00 68 E 9.05 5.11 0.00 2.04 1.74 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 2.28 2.35 0.00 69 F 10.23 5.08 0.00 2.95 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 70 Q 9.62 4.54 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 71 D 8.98 4.88 0.00 2.80 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 72 R 8.91 4.60 0.00 2.24 1.89 0.00 2.89 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 73 G 7.73 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 74 R 8.77 4.00 0.00 1.79 1.98 0.00 3.40 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 75 L 7.62 4.28 0.00 1.83 1.75 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.27 3.94 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 0.00 0.00 0.00 77 R 8.06 4.99 0.00 1.61 1.99 0.00 3.03 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.46 0.00 78 Y 9.33 4.57 0.00 2.95 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 79 V 8.17 4.47 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 0.46 0.00 0.00 0.80 0.00 0.00 80 H 9.40 5.16 0.00 3.03 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.53 4.61 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 0.80 0.00 0.00 0.88 0.00 0.00 82 R 9.09 4.14 0.00 1.78 1.85 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 83 P 0.00 4.53 0.00 1.92 2.04 0.00 3.70 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 2.03 2.12 0.00 84 L 8.26 4.00 0.00 1.85 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.46 4.31 1.24 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 0.00 0.00 0.00