NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.8879 8.3549 109.7356 45.4490 0.0000 172.8784 20 S 4.1232 7.8579 115.4291 58.4637 63.7643 169.3617 21 V 4.2539 8.0666 120.1562 61.4188 35.4930 172.0197 22 P 4.7335 0.0000 0.0000 62.8767 32.6572 174.0834 23 V 4.5358 8.1332 120.2713 61.9226 33.3223 175.4408 24 I 4.9985 8.6817 129.1040 59.3429 40.2920 174.2374 25 L 5.1886 8.8361 128.7408 53.1881 44.8335 174.3857 26 E 5.1714 9.5824 127.4728 54.4963 32.8060 175.0026 27 V 3.8376 8.9247 127.7668 61.6705 31.1424 176.1900 28 A 4.1973 8.5064 131.4782 53.8846 19.7897 177.6192 29 G 3.9678 6.4297 106.6811 46.5366 0.0000 176.9881 30 I 4.1048 8.8081 125.8615 59.6444 36.2733 175.0928 31 G 4.1509 8.5943 112.3341 44.3882 0.0000 170.9252 32 K 4.7115 7.3758 119.3999 54.9225 34.5676 174.9906 33 Y 5.3406 8.9724 120.7439 56.2949 43.0049 173.9473 34 A 5.4469 9.1856 122.9365 50.1534 22.7649 175.2348 35 I 5.0503 8.9122 114.3725 59.1373 41.2278 174.1555 36 S 5.1185 9.4135 121.1472 56.7881 64.4563 172.7369 37 I 4.3404 9.3238 130.1959 59.1796 38.8040 176.5428 38 G 4.2423 9.1902 118.5670 46.3224 0.0000 172.5250 39 G 3.9976 8.4157 106.2753 44.6325 0.0000 173.2985 40 E 4.3821 8.1870 121.6217 55.1605 30.9927 175.0178 41 R 5.0233 8.5862 127.1913 54.7902 32.1399 174.8758 42 Q 4.7332 9.3768 125.1809 54.0829 31.6280 174.2527 43 E 4.7660 8.9267 124.1943 54.9006 32.8754 175.2116 44 G 3.8779 8.8287 110.3706 46.3584 0.0000 173.5947 45 L 4.4180 7.9163 119.2700 53.8217 42.8535 177.0242 46 T 4.7999 8.0466 112.4453 60.5550 71.9638 175.9773 47 E 3.6161 8.4734 119.8792 59.4723 29.6090 179.1686 48 E 3.9004 8.0726 118.8898 59.4536 29.7580 178.3878 49 M 4.0823 8.0581 118.4113 58.4274 32.2396 178.5396 50 V 3.6520 8.1226 119.8388 64.9709 31.3588 178.6187 51 T 3.7458 7.7749 116.2250 66.3846 68.3574 176.0391 52 Q 3.9566 7.8102 120.9721 59.4436 28.9683 178.8392 53 L 4.0209 7.9528 119.4846 57.9784 41.7128 179.6202 54 S 4.3319 8.3239 115.2663 61.8375 62.7986 177.1388 55 R 4.0177 8.4712 121.0798 59.3283 29.6108 178.9284 56 Q 4.0307 8.2921 119.3988 59.2669 29.0449 178.1554 57 E 4.0667 8.5890 119.8423 59.3324 29.3007 179.0622 58 F 4.9533 8.3559 121.4018 60.7448 39.5432 176.5152 59 D 4.2474 8.1922 117.0449 56.5183 41.0429 177.5870 60 K 4.3396 7.6385 119.4706 57.0080 32.2662 176.1667 61 D 4.7666 7.9385 119.1356 52.5092 43.0124 176.0456 62 N 4.2397 8.8010 122.1750 54.6099 39.0225 175.7557 63 N 4.9492 7.9921 114.6627 52.4213 37.6764 174.6485 64 T 3.8705 8.0378 109.7104 61.7282 69.1205 173.5801 65 L 4.0985 8.5001 129.5366 55.1389 43.1837 175.1742 66 F 5.2187 8.8638 125.5191 55.6636 40.9742 175.2066 67 L 4.9265 8.7648 122.8252 53.9532 43.9676 175.4088 68 V 5.0254 8.6052 121.0201 61.2141 34.1814 174.7237 69 G 4.7536 8.6862 113.5233 43.6065 0.0000 171.4861 70 G 4.6925 8.6127 108.1647 43.8187 0.0000 172.3982 71 A 4.4632 8.3529 122.8369 50.8213 19.5957 179.1246 72 K 3.9243 8.6680 118.2986 59.4601 32.1719 178.3858 73 E 4.2940 8.0755 115.7027 56.5077 29.9046 176.3344 74 V 4.2103 7.3383 119.7728 59.1215 33.1298 174.4005 75 P 4.4435 0.0000 0.0000 62.6284 32.1467 176.6980 76 Y 4.3972 8.7483 121.3070 61.0951 38.7753 178.2066 77 E 3.8028 8.2825 119.0611 59.4269 29.4005 179.0290 78 E 4.0739 8.1593 118.6647 59.0935 29.5003 179.3495 79 V 3.6894 7.7732 118.0449 65.9321 31.6891 177.9679 80 I 3.6579 7.6992 119.5779 64.3101 36.8760 178.3566 81 K 3.8727 7.9327 118.8313 59.4514 31.9248 179.0756 82 A 3.9835 8.2842 120.9537 55.3649 18.3858 179.6802 83 L 3.9411 8.1105 117.4737 57.8743 41.6591 179.2954 84 N 4.2830 8.5876 117.4022 56.7132 38.7584 176.9408 85 L 3.9787 8.1674 120.7346 57.7271 41.5899 179.5244 86 L 3.8476 7.8220 118.9413 57.9530 41.5129 179.0158 87 H 4.0035 8.2195 118.2324 59.0736 29.5514 176.9518 88 L 3.9224 7.8446 121.0319 57.7619 41.9300 177.8805 89 A 4.4449 7.5024 117.7955 50.9396 19.2754 176.9083 90 G 3.7546 7.8099 105.7934 47.3735 0.0000 175.4903 91 I 3.1044 7.6466 121.1338 62.3151 38.2102 176.5963 92 K 3.8712 7.3657 124.6554 56.8981 31.8159 174.4705 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 G 8.35 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 20 S 7.86 4.12 0.00 3.94 3.80 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 0.00 0.00 0.00 0.00 21 V 8.07 4.25 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 0.91 0.00 0.00 0.92 0.00 0.00 22 P 0.00 4.73 0.00 2.04 2.11 0.00 3.58 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 2.09 2.07 0.00 23 V 8.13 4.54 1.04 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 0.91 0.00 0.00 0.48 0.00 0.00 24 I 8.68 5.00 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 1.11 0.38 0.95 0.00 0.00 25 L 8.84 5.19 0.00 1.80 1.57 0.89 0.61 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 26 E 9.58 5.17 0.00 2.09 1.78 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 2.20 2.27 0.00 27 V 8.92 3.84 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 1.15 0.00 0.00 28 A 8.51 4.20 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 29 G 6.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 4.10 1.85 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 1.31 0.95 0.91 0.00 0.00 31 G 8.59 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.38 4.71 0.00 1.62 1.68 0.00 1.43 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 33 Y 8.97 5.34 0.00 2.91 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 34 A 9.19 5.45 1.23 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 35 I 8.91 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.97 0.00 0.00 36 S 9.41 5.12 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 9.32 4.34 1.87 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 1.17 0.57 0.90 0.00 0.00 38 G 9.19 4.24 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 0.00 39 G 8.42 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 40 E 8.19 4.38 0.00 2.06 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 2.27 2.25 0.00 41 R 8.59 5.02 0.00 1.85 1.79 0.00 3.40 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 42 Q 9.38 4.73 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 43 E 8.93 4.77 0.00 1.95 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 0.00 2.19 2.29 0.00 44 G 8.83 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.92 4.42 0.00 1.83 1.63 1.03 0.55 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 46 T 8.05 4.80 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 1.25 0.00 0.00 47 E 8.47 3.62 0.00 1.99 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 2.40 2.47 0.00 48 E 8.07 3.90 0.00 2.02 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 2.37 2.35 0.00 49 M 8.06 4.08 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 50 V 8.12 3.65 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 0.59 0.00 0.00 0.89 0.00 0.00 51 T 7.77 3.75 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 1.17 0.00 0.00 52 Q 7.81 3.96 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 53 L 7.95 4.02 0.00 1.78 1.87 0.95 0.76 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 54 S 8.32 4.33 0.00 4.00 3.88 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 0.00 0.00 0.00 55 R 8.47 4.02 0.00 1.99 2.01 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 56 Q 8.29 4.03 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.59 4.07 0.00 2.41 2.11 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 2.35 2.40 0.00 58 F 8.36 4.95 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.19 4.25 0.00 2.78 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 60 K 7.64 4.34 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.46 7.81 61 D 7.94 4.77 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 4.24 0.00 2.64 2.75 0.00 0.00 6.79 7.78 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 63 N 7.99 4.95 0.00 2.86 2.92 0.00 0.00 6.10 7.72 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 64 T 8.04 3.87 3.88 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 0.00 0.00 1.18 0.00 0.00 65 L 8.50 4.10 0.00 1.78 1.54 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.86 5.22 0.00 2.88 2.86 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 67 L 8.76 4.93 0.00 1.76 1.72 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.61 5.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 69 G 8.69 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.61 4.69 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 0.00 0.00 0.00 71 A 8.35 4.46 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 72 K 8.67 3.92 0.00 1.73 1.88 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 73 E 8.08 4.29 0.00 1.92 1.97 0.00 0.00 0.00 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 2.34 0.00 74 V 7.34 4.21 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 0.73 0.00 0.00 0.99 0.00 0.00 75 P 0.00 4.44 0.00 2.27 2.24 0.00 3.70 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 2.24 1.96 0.00 76 Y 8.75 4.40 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.80 0.00 1.99 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 2.31 2.33 0.00 78 E 8.16 4.07 0.00 2.28 2.03 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 2.34 2.40 0.00 79 V 7.77 3.69 2.52 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 1.19 0.00 0.00 1.16 0.00 0.00 80 I 7.70 3.66 1.86 0.00 0.00 0.56 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 0.09 0.80 0.00 0.00 81 K 7.93 3.87 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 82 A 8.28 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.11 3.94 0.00 1.88 1.73 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.59 4.28 0.00 2.90 2.87 0.00 0.00 7.17 6.67 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 85 L 8.17 3.98 0.00 1.73 1.62 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.82 3.85 0.00 1.76 1.51 0.65 0.97 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 87 H 8.22 4.00 0.00 3.21 3.43 0.00 5.79 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 88 L 7.84 3.92 0.00 1.85 1.72 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.50 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.65 3.10 1.47 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.09 -0.88 0.00 0.00 92 K 7.37 3.87 0.00 1.42 1.50 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.27 7.81