NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3486 8.2893 120.3457 54.5604 34.1920 175.8766 2 K 4.1237 7.4530 125.6471 54.3139 33.6869 173.6393 3 A 4.2277 9.1755 129.3383 51.5020 20.3715 177.6046 4 L 4.6086 8.1067 122.7781 52.9415 43.6259 177.4878 5 T 4.0915 8.4064 113.6408 61.1534 70.7875 175.2961 6 A 3.9622 8.5868 124.4216 55.8513 18.3162 180.2744 7 R 3.8907 7.9207 116.5825 59.2237 30.1541 178.4169 8 Q 4.0585 7.9724 117.3086 59.3091 28.6066 178.0286 9 Q 4.0192 8.4617 121.8543 58.9553 28.9918 178.1757 10 E 3.9871 8.2550 119.6153 59.4197 29.6076 179.3705 11 V 3.6407 7.6909 117.7052 66.0914 31.6227 177.6564 12 F 4.0306 8.5341 120.3790 61.5734 39.1274 176.6936 13 D 4.3724 8.6168 118.7420 57.4038 40.6400 178.6249 14 L 3.9585 8.0273 120.7546 57.9983 42.1281 179.0302 15 I 3.6290 7.6126 119.6172 64.5021 37.0171 178.5438 16 R 3.7852 7.6510 118.6468 59.2007 29.8930 178.6107 17 D 4.2735 8.3397 118.1284 57.7362 41.1773 177.8817 18 H 4.1671 8.3190 118.6736 59.0913 29.8219 177.3033 19 I 3.6301 7.6132 121.2901 64.5177 36.7706 178.4036 20 S 4.1012 8.0482 112.5852 61.0471 62.1678 175.8687 21 Q 4.1704 7.8807 120.3151 58.2520 28.9268 177.4054 22 T 4.3757 8.1112 107.9041 61.1187 70.1068 174.0558 23 G 4.2576 8.3335 111.8484 45.4934 0.0000 173.7618 24 M 4.4620 6.9021 114.3749 52.5323 32.8972 174.1306 25 P 4.5139 0.0000 0.0000 61.7675 32.4033 174.1619 26 P 4.5004 0.0000 0.0000 61.9462 32.6646 176.5481 27 T 4.4919 8.3670 111.2735 60.9450 70.8067 175.8758 28 R 3.8978 8.5356 120.8322 59.2270 29.9456 179.2342 29 A 3.9491 7.9329 120.2367 55.2075 18.4703 179.1384 30 E 3.8901 8.0665 117.0546 59.6916 29.1705 179.7238 31 I 3.7241 7.7674 119.3735 64.3598 37.1851 178.3419 32 A 4.0799 7.8935 121.4476 55.3115 17.7587 179.7940 33 Q 3.9724 8.3832 116.6854 59.2300 28.7440 179.0822 34 R 4.1805 7.9368 117.6191 59.1700 30.2442 178.2221 35 L 4.0284 7.4613 116.0642 55.8181 42.3113 176.4893 36 G 3.6124 7.6737 106.7414 45.6999 0.0000 172.3274 37 F 4.8438 8.4227 117.0056 55.7301 41.4240 176.8471 38 R 4.0547 8.9491 125.1778 58.3794 30.5006 176.9868 39 S 4.7477 7.9424 114.4174 55.8970 64.6766 172.9850 40 P 4.2047 0.0000 0.0000 65.6996 30.8950 178.2442 41 N 4.3027 8.2482 114.6260 56.0470 38.3842 176.9936 42 A 3.8964 7.9750 121.9759 54.8913 18.4719 179.3536 43 A 2.9925 7.1092 118.7152 54.9768 18.2495 179.1658 44 E 3.7694 7.8981 117.6677 59.4198 29.6623 178.6679 45 E 3.8621 8.2556 119.3173 59.6635 29.6942 178.5146 46 H 4.2262 8.0396 116.2027 58.6204 28.8639 177.4168 47 L 3.9521 7.9012 122.1796 58.1533 41.8260 179.0544 48 K 3.8787 8.3121 118.3577 59.6624 32.1397 178.9504 49 A 3.9910 8.1062 120.7327 55.1714 18.2955 179.6673 50 L 3.8953 8.0174 117.1139 57.9776 41.4741 179.5888 51 A 4.2614 7.7873 121.5244 54.8061 18.1056 179.8942 52 R 4.0628 8.0967 115.7715 59.3533 30.1776 179.1927 53 K 4.1917 7.7684 117.4564 59.3313 32.2996 177.4144 54 G 4.1446 6.9469 108.4062 46.4157 0.0000 174.7280 55 V 4.5363 8.1527 113.8112 60.9563 34.7014 176.2261 56 I 5.1814 7.6181 112.6919 59.1831 41.6405 173.4611 57 E 4.3916 8.8574 125.0018 54.8370 31.2951 174.9349 58 I 4.3167 8.3592 128.5969 60.5593 37.3029 176.4391 59 V 3.8321 8.6448 129.4484 62.1976 31.2034 174.7325 60 S 4.3223 8.5238 122.7935 60.9667 62.1898 172.7424 61 G 3.5312 8.6335 119.2440 45.4194 0.0000 172.3188 62 A 4.2091 7.1271 124.2971 51.0530 19.0447 177.4274 63 S 4.2383 8.9366 119.9942 61.7989 63.1241 175.0872 64 R 4.5965 7.6909 121.4347 54.8727 28.8667 176.1631 65 G 4.2533 7.7035 109.7308 44.4864 0.0000 168.0429 66 I 5.0614 7.5645 118.9778 59.9366 40.8357 175.4028 67 R 4.2916 8.7790 127.4642 55.1610 31.5079 175.8496 68 L 4.4808 8.5369 126.5939 55.2257 42.2222 175.0314 69 L 4.6880 8.8242 125.2088 56.0450 43.4802 176.5692 70 Q 4.7058 7.9511 115.6135 55.0226 33.3465 173.3144 71 E 4.3906 8.6990 121.2979 55.0702 31.9017 174.8145 72 E 4.1189 9.3908 117.7901 56.9314 29.5529 174.2252 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 1 M 8.29 4.35 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 2 K 7.45 4.12 0.00 1.87 1.73 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.47 7.81 3 A 9.18 4.23 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 4 L 8.11 4.61 0.00 1.65 1.51 0.37 0.76 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 5 T 8.41 4.09 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 1.24 0.00 0.00 6 A 8.59 3.96 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 7 R 7.92 3.89 0.00 1.88 1.79 0.00 3.21 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 8 Q 7.97 4.06 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 9 Q 8.46 4.02 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.30 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 10 E 8.25 3.99 0.00 2.29 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 0.00 2.34 2.51 0.00 11 V 7.69 3.64 2.33 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 1.00 0.00 0.00 1.15 0.00 0.00 12 F 8.53 4.03 0.00 3.26 3.21 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 13 D 8.62 4.37 0.00 2.97 2.74 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 0.00 0.00 0.00 14 L 8.03 3.96 0.00 1.80 1.80 0.94 1.21 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 15 I 7.61 3.63 1.78 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 1.49 0.82 0.79 0.00 0.00 16 R 7.65 3.79 0.00 1.74 1.87 0.00 3.07 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 1.30 1.20 0.00 17 D 8.34 4.27 0.00 2.82 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 18 H 8.32 4.17 0.00 3.38 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.61 3.63 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.94 0.00 0.00 20 S 8.05 4.10 0.00 3.89 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 21 Q 7.88 4.17 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 22 T 8.11 4.38 4.14 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 1.04 0.00 0.00 23 G 8.33 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 0.00 0.00 0.00 0.00 24 M 6.90 4.46 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 25 P 0.00 4.51 0.00 2.19 2.19 0.00 3.76 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 2.04 2.00 0.00 26 P 0.00 4.50 0.00 2.11 1.89 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 27 T 8.37 4.49 4.22 0.00 0.00 0.00 0.00 0.00 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 28 R 8.54 3.90 0.00 1.89 1.98 0.00 3.16 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 29 A 7.93 3.95 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 30 E 8.07 3.89 0.00 2.18 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 2.29 2.33 0.00 31 I 7.77 3.72 1.82 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 1.46 0.95 0.89 0.00 0.00 32 A 7.89 4.08 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 33 Q 8.38 3.97 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 34 R 7.94 4.18 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 35 L 7.46 4.03 0.00 1.85 1.68 1.15 0.98 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 36 G 7.67 3.61 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 0.00 0.00 0.00 37 F 8.42 4.84 0.00 3.12 2.92 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 38 R 8.95 4.05 0.00 1.85 2.03 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 S 7.94 4.75 0.00 3.89 3.78 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 40 P 0.00 4.20 0.00 2.12 2.08 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 41 N 8.25 4.30 0.00 2.78 2.84 0.00 0.00 7.15 7.15 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 42 A 7.98 3.90 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.11 2.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.77 0.00 1.98 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 0.00 2.26 2.28 0.00 45 E 8.26 3.86 0.00 2.13 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 2.22 2.30 0.00 46 H 8.04 4.23 0.00 3.26 3.38 0.00 5.68 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 47 L 7.90 3.95 0.00 1.87 1.82 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.31 3.88 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 49 A 8.11 3.99 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 50 L 8.02 3.90 0.00 1.98 1.82 1.18 1.09 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 51 A 7.79 4.26 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 52 R 8.10 4.06 0.00 1.78 2.01 0.00 3.17 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 1.77 0.00 53 K 7.77 4.19 0.00 1.73 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.55 7.81 54 G 6.95 4.14 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 0.00 0.00 0.00 55 V 8.15 4.54 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 0.66 0.00 0.00 0.86 0.00 0.00 56 I 7.62 5.18 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 1.10 0.00 0.00 57 E 8.86 4.39 0.00 2.10 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 0.00 2.23 2.28 0.00 58 I 8.36 4.32 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 1.24 0.68 0.91 0.00 0.00 59 V 8.64 3.83 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 1.02 0.00 0.00 0.99 0.00 0.00 60 S 8.52 4.32 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.13 4.21 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 63 S 8.94 4.24 0.00 3.89 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 64 R 7.69 4.60 0.00 1.80 2.02 0.00 3.21 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 65 G 7.70 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 0.00 0.00 0.00 0.00 66 I 7.56 5.06 1.86 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 1.34 0.70 0.92 0.00 0.00 67 R 8.78 4.29 0.00 1.79 1.85 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 68 L 8.54 4.48 0.00 1.57 1.55 0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 4.69 0.00 1.75 1.70 0.95 0.85 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 70 Q 7.95 4.71 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 71 E 8.70 4.39 0.00 1.96 1.63 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 2.07 1.93 0.00 72 E 9.39 4.12 0.00 2.15 1.92 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 2.21 2.39 0.00