NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.0559 8.0093 114.2722 61.9909 39.0210 174.5438 7 N 4.5843 8.8658 123.7824 51.7863 36.5510 173.7700 8 R 3.2671 8.2101 114.8214 56.3743 31.8173 175.0341 9 M 5.1797 8.2300 116.4421 53.0710 35.1005 175.2382 10 D 4.8963 8.7501 123.9127 54.1549 42.5857 175.1108 11 Y 5.4750 7.8261 119.2768 55.4849 41.9135 174.3809 12 V 4.2087 8.5248 115.7029 61.1219 34.9408 171.1557 13 E 5.5878 9.2319 122.0857 53.7684 32.2679 175.1464 14 I 4.2295 8.2064 118.0176 59.2502 39.7890 174.3352 15 N 4.4680 8.9258 125.9606 54.0005 38.5075 173.7322 16 I 4.1695 8.2838 126.8214 60.1092 40.5045 175.0464 17 D 4.5169 8.1913 120.8605 55.8063 47.2915 176.7998 18 H 4.4048 7.7732 117.6790 56.2139 30.0726 175.8683 19 K 4.4938 8.4893 118.2151 56.2802 30.2033 178.0246 20 F 4.3146 8.2732 122.4430 61.4785 39.8845 176.7276 21 H 4.0326 8.8006 114.0047 59.3693 28.3848 176.8760 22 R 3.8868 8.0790 119.1239 60.3135 29.8634 178.4350 23 H 4.2249 7.4189 114.4665 59.0615 28.7902 177.5140 24 L 4.0638 8.4640 120.0744 57.7452 41.7741 179.2679 25 I 3.7715 8.4899 113.4907 62.7423 37.4412 176.9277 26 G 4.0213 8.3540 108.4523 45.6793 0.0000 173.9449 27 K 3.8035 8.4190 121.7962 59.2547 32.3481 177.4516 28 S 4.5267 7.4561 114.2142 57.5688 63.6238 172.4360 29 G 3.7965 9.6132 114.3094 47.1045 0.0000 173.0311 30 A 4.6101 8.3949 125.4154 52.7209 23.6754 177.4911 31 N 4.3300 8.4474 113.2399 56.6308 38.5470 177.1329 32 I 3.7082 7.9051 113.8099 64.1864 37.2183 177.3298 33 N 4.4298 8.5036 118.7202 55.7682 38.9184 176.8146 34 R 3.9044 7.8945 120.3434 59.5460 29.9293 178.6347 35 I 3.9746 7.6929 118.8113 64.3983 37.4326 177.8636 36 K 4.1187 7.7863 121.2945 58.5961 31.6178 177.5205 37 D 4.4528 8.1154 117.2518 56.0072 41.6700 178.0155 38 Q 3.8497 8.3322 119.4670 59.0436 29.0578 176.5214 39 Y 4.3734 9.0749 112.7652 56.7559 38.3840 175.4739 40 K 4.4912 7.3802 117.7640 56.7705 30.6642 174.4662 41 V 4.5819 7.4825 111.9491 59.7647 35.9378 175.0326 42 S 5.2449 8.7798 113.6146 56.8185 62.6593 171.9989 43 V 4.6227 7.9959 122.2537 60.1841 33.1116 176.0879 44 R 4.6506 8.9200 123.5475 54.3338 34.2350 174.3098 45 I 4.4564 8.3591 124.6387 59.0044 38.1718 173.7533 46 P 4.4101 0.0000 0.0000 61.6557 31.9773 174.9550 47 P 4.5006 0.0000 0.0000 62.8413 33.4284 174.9828 48 D 4.1668 8.5029 112.2635 54.6604 37.1736 172.5198 49 S 4.8438 8.1111 118.0885 56.8587 65.4882 172.5090 50 E 4.4331 7.9313 117.3407 57.2758 31.6341 177.3543 51 K 4.1684 7.6752 121.1148 56.7994 33.1981 177.2779 52 S 5.6765 7.4815 114.4577 56.0729 66.5958 172.3375 53 N 5.0843 8.6011 117.6669 51.8744 42.0930 174.4090 54 L 5.0372 7.9625 116.7170 55.3599 45.2456 174.8802 55 I 4.1822 8.3703 125.5261 60.8456 39.2854 175.1371 56 R 4.8939 8.4094 123.7866 54.7897 32.0988 175.3495 57 I 5.0177 8.7645 125.0361 59.4346 40.7127 174.3747 58 E 5.1760 9.0077 126.4802 54.2578 33.5666 172.3165 59 G 3.8789 9.4850 117.2113 46.0339 0.0000 173.2400 60 D 4.8270 9.0366 122.7445 53.8510 47.3800 175.3513 61 P 4.7254 0.0000 0.0000 62.2486 34.5935 176.2901 62 Q 4.1587 8.8666 115.5151 59.1121 28.3736 179.0760 63 G 4.0478 8.3390 106.9370 48.0827 0.0000 175.7227 64 V 3.6769 7.7923 121.7977 64.5880 31.3541 178.4271 65 Q 4.0444 8.0089 117.7601 58.4990 28.6337 178.2661 66 Q 3.8668 8.5428 120.4076 58.9603 28.9334 178.2636 67 A 3.2112 8.1165 121.9728 54.6248 18.2339 179.3007 68 K 3.7514 7.8057 118.1118 59.9289 32.4373 179.0388 69 R 3.8937 7.9898 118.7654 59.2501 29.9699 178.1204 70 E 3.9331 8.4219 119.7573 59.0834 29.6576 178.9628 71 L 3.9971 7.9823 119.0291 57.7657 41.6281 179.1687 72 L 4.1316 7.7605 118.4786 57.8263 41.9277 177.2984 73 E 4.4261 7.7200 116.5420 58.3079 30.4371 177.8492 74 L 4.0616 8.6120 119.9405 56.7320 42.2282 178.3719 75 A 3.7312 7.6050 118.4048 52.9068 16.7794 176.9224 76 S 4.1756 8.0758 118.7090 60.0304 62.4944 173.5608 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 6 I 8.01 4.06 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.92 0.00 0.00 7 N 8.87 4.58 0.00 3.14 3.17 0.00 0.00 6.56 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.21 3.27 0.00 2.04 2.11 0.00 3.01 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 9 M 8.23 5.18 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 10 D 8.75 4.90 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.83 5.48 0.00 2.94 2.88 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 12 V 8.52 4.21 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 0.74 0.00 0.00 0.89 0.00 0.00 13 E 9.23 5.59 0.00 1.87 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 2.33 2.21 0.00 14 I 8.21 4.23 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.91 0.00 0.00 15 N 8.93 4.47 0.00 2.73 2.78 0.00 0.00 7.08 7.93 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 16 I 8.28 4.17 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.77 0.00 0.00 17 D 8.19 4.52 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.40 0.00 3.03 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.49 4.49 0.00 1.91 1.76 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 20 F 8.27 4.31 0.00 3.08 3.19 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 0.00 0.00 0.00 0.00 21 H 8.80 4.03 0.00 3.21 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.08 3.89 0.00 1.88 1.94 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 23 H 7.42 4.22 0.00 3.60 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.46 4.06 0.00 1.80 1.70 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.49 3.77 1.95 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 1.25 0.98 0.00 0.00 26 G 8.35 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 27 K 8.42 3.80 0.00 1.71 1.78 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 28 S 7.46 4.53 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.61 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 0.00 0.00 0.00 30 A 8.39 4.61 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 31 N 8.45 4.33 0.00 3.01 2.90 0.00 0.00 6.77 7.46 0.00 0.00 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 I 7.91 3.71 2.06 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 1.53 0.63 0.91 0.00 0.00 33 N 8.50 4.43 0.00 2.79 2.87 0.00 0.00 6.73 7.21 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 34 R 7.89 3.90 0.00 2.00 2.01 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 35 I 7.69 3.97 1.91 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 0.67 0.86 0.00 0.00 36 K 7.79 4.12 0.00 1.97 2.01 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.37 7.81 37 D 8.12 4.45 0.00 2.98 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 38 Q 8.33 3.85 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.25 1.86 0.00 39 Y 9.07 4.37 0.00 2.96 2.98 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 0.00 0.00 0.00 40 K 7.38 4.49 0.00 1.84 1.90 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.35 7.81 41 V 7.48 4.58 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 0.95 0.00 0.00 1.03 0.00 0.00 42 S 8.78 5.24 0.00 3.89 3.74 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 43 V 8.00 4.62 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 44 R 8.92 4.65 0.00 1.74 1.80 0.00 3.11 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 45 I 8.36 4.46 1.84 0.00 0.00 0.70 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 0.77 0.83 0.00 0.00 46 P 0.00 4.41 0.00 2.22 2.09 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 47 P 0.00 4.50 0.00 2.22 2.17 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 D 8.50 4.17 0.00 2.89 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 49 S 8.11 4.84 0.00 3.91 3.99 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 0.00 0.00 0.00 50 E 7.93 4.43 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 51 K 7.68 4.17 0.00 1.68 1.72 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 52 S 7.48 5.68 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.60 5.08 0.00 2.62 2.69 0.00 0.00 7.19 6.26 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 54 L 7.96 5.04 0.00 1.47 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.37 4.18 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.93 0.00 0.00 56 R 8.41 4.89 0.00 1.78 1.86 0.00 3.07 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 1.58 1.76 0.00 57 I 8.76 5.02 1.96 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 1.13 1.10 0.94 0.00 0.00 58 E 9.01 5.18 0.00 2.15 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 2.36 2.38 0.00 59 G 9.48 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 60 D 9.04 4.83 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.73 0.00 2.29 2.24 0.00 3.75 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 2.11 2.07 0.00 62 Q 8.87 4.16 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 63 G 8.34 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 64 V 7.79 3.68 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 0.82 0.00 0.00 0.99 0.00 0.00 65 Q 8.01 4.04 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 66 Q 8.54 3.87 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 67 A 8.12 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.81 3.75 0.00 1.95 1.95 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 69 R 7.99 3.89 0.00 2.08 1.89 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 70 E 8.42 3.93 0.00 2.09 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 2.28 2.38 0.00 71 L 7.98 4.00 0.00 1.90 1.73 0.87 0.34 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 72 L 7.76 4.13 0.00 1.65 1.72 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.72 4.43 0.00 2.06 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 2.28 2.53 0.00 74 L 8.61 4.06 0.00 1.66 1.71 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.61 3.73 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.08 4.18 0.00 3.80 3.72 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 0.00 0.00 0.00 0.00