NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1423 8.2549 117.2603 54.8261 31.0075 175.1714 2 P 4.0356 0.0000 0.0000 62.2899 31.9688 176.1599 3 D 4.4315 8.4376 121.8757 56.7988 42.1927 178.3911 4 F 4.3681 8.0837 114.1892 59.7029 37.9912 177.9881 5 C 4.4178 7.4983 118.2375 59.5139 39.9507 174.3602 6 L 4.3834 7.7558 117.5803 54.8437 41.5373 176.5895 7 E 4.3091 8.1608 120.0746 54.8443 30.1655 175.0256 8 P 4.4152 0.0000 0.0000 61.4763 32.2310 174.3357 9 P 3.6873 0.0000 0.0000 62.4937 31.5655 175.4928 10 Y 4.6395 7.5541 120.3987 55.9891 40.4905 175.2195 11 T 4.2163 7.7784 124.9669 64.3020 68.8386 176.2097 12 G 3.5936 6.8095 105.4036 44.2485 0.0000 171.1229 13 P 4.3908 0.0000 0.0000 63.3569 31.4499 176.9487 14 C 4.5920 7.6259 117.7043 56.1130 41.5364 173.7892 15 K 4.0434 8.1293 117.9690 56.7594 33.2749 176.3777 16 A 4.0750 7.5809 122.5277 52.3957 19.6799 177.0236 17 R 4.5994 8.0130 116.5803 54.3372 30.1836 174.0842 18 I 4.3601 8.3143 122.2296 59.3433 39.8261 175.5680 19 I 4.1784 8.2264 127.7722 61.4654 37.7121 175.4305 20 R 4.5245 8.2129 124.7999 54.4526 34.7155 173.6060 21 Y 5.6887 9.1371 117.7640 56.5323 41.0611 175.3371 22 F 5.7983 9.2914 116.7430 55.4695 41.9240 172.8549 23 Y 4.3876 9.9320 123.2901 57.1913 39.6693 175.0099 24 N 4.5694 8.1417 126.1080 51.4028 38.0738 174.6844 25 A 3.7458 8.2791 128.0605 54.7660 18.8267 178.9559 26 K 3.9646 8.0575 115.5138 59.6560 32.4687 177.9062 27 A 3.9270 9.5250 121.7113 53.3893 18.3832 178.7138 28 G 3.8945 9.5961 103.2352 45.0107 0.0000 172.1909 29 L 4.8508 6.8324 118.7145 54.0474 44.4691 175.7644 30 C 4.8768 8.6523 116.1071 57.0083 42.3944 172.9886 31 Q 4.7468 8.7975 120.1062 54.4318 33.3429 174.2542 32 T 5.1226 8.5624 110.2605 61.4751 70.6279 173.7442 33 F 5.0799 8.6757 116.9186 55.8049 42.2848 172.9897 34 V 4.3132 8.5031 119.2730 62.1294 32.7942 173.6201 35 Y 4.8987 9.1544 130.9291 56.1396 40.6181 176.1677 36 G 3.8522 8.1697 112.9587 45.8452 0.0000 175.1186 37 G 3.8301 6.8274 108.3182 44.9617 0.0000 172.2805 38 C 4.8711 7.0522 111.7959 55.3550 44.1892 173.2663 39 R 3.8777 8.8269 117.2898 56.9781 26.8116 176.6906 40 A 4.1199 8.4254 119.3985 52.7529 18.7933 178.6058 41 K 4.3720 8.3539 121.0667 55.0378 33.9015 177.1881 42 R 3.5835 8.0342 117.8658 58.9365 30.2361 177.4621 43 N 5.0283 7.8437 117.8448 51.4426 36.7923 173.2835 44 N 5.0270 6.7152 115.9020 52.7470 42.1156 173.5100 45 F 4.8966 9.5298 125.6771 55.5668 42.4308 176.5086 46 K 4.0424 9.2644 124.5502 58.5427 32.5822 177.3775 47 S 4.8426 8.0618 112.5097 56.1241 65.2161 174.4395 48 A 3.4847 8.0439 130.4375 54.6541 17.9844 179.0508 49 E 3.7384 8.0007 117.6102 59.6983 29.6145 178.5524 50 D 4.2876 7.9207 118.5928 57.5643 40.9294 178.1343 51 C 2.4500 7.4672 118.3447 59.1569 41.8074 175.0256 52 M 3.8504 7.6848 119.6218 58.7177 31.5969 178.1050 53 R 3.7911 7.7068 117.4468 59.8297 30.3938 178.3933 54 T 4.0041 8.1744 114.4886 65.9902 68.5594 174.6536 55 C 4.4004 7.9325 115.3298 56.4121 42.2430 174.3329 56 G 3.6374 8.0262 109.6403 43.8302 0.0000 174.1348 57 G 3.9589 8.6812 106.9813 45.7673 0.0000 173.9610 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 R 8.25 4.14 0.00 1.73 1.80 0.00 2.99 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 2 P 0.00 4.04 0.00 1.18 1.69 0.00 3.32 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.02 0.00 3 D 8.44 4.43 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.08 4.37 0.00 3.19 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 5 C 7.50 4.42 0.00 2.97 3.18 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 0.00 6 L 7.76 4.38 0.00 1.76 1.76 0.94 0.84 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 7 E 8.16 4.31 0.00 2.33 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 2.35 2.27 0.00 8 P 0.00 4.42 0.00 2.05 1.99 0.00 3.74 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 1.93 1.92 0.00 9 P 0.00 3.69 0.00 0.75 0.49 0.00 3.27 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 10 Y 7.55 4.64 0.00 2.72 2.85 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 11 T 7.78 4.22 4.13 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 0.00 0.00 0.00 1.19 0.00 0.00 12 G 6.81 3.59 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 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.17 2.18 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 14 C 7.63 4.59 0.00 2.81 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 15 K 8.13 4.04 0.00 1.80 1.85 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.35 7.81 16 A 7.58 4.07 1.14 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 17 R 8.01 4.60 0.00 1.60 1.78 0.00 3.17 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.31 4.36 1.97 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 1.19 0.92 0.93 0.00 0.00 19 I 8.23 4.18 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.53 0.00 0.00 20 R 8.21 4.52 0.00 0.67 1.60 0.00 3.30 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 21 Y 9.14 5.69 0.00 3.12 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 22 F 9.29 5.80 0.00 3.28 3.14 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 23 Y 9.93 4.39 0.00 2.95 3.05 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 24 N 8.14 4.57 0.00 2.45 2.46 0.00 0.00 6.70 8.99 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 25 A 8.28 3.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.06 3.96 0.00 1.72 1.94 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 27 A 9.52 3.93 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 28 G 9.60 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 29 L 6.83 4.85 0.00 1.66 1.71 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 4.88 0.00 2.86 3.16 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 31 Q 8.80 4.75 0.00 1.41 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 32 T 8.56 5.12 4.17 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 1.29 0.00 0.00 33 F 8.68 5.08 0.00 3.07 3.26 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 34 V 8.50 4.31 2.10 0.00 0.00 0.00 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 0.93 0.00 0.00 35 Y 9.15 4.90 0.00 2.56 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 36 G 8.17 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 0.00 0.00 0.00 37 G 6.83 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 0.00 0.00 0.00 38 C 7.05 4.87 0.00 3.05 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 39 R 8.83 3.88 0.00 2.22 2.31 0.00 3.45 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 40 A 8.43 4.12 0.99 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 0.00 0.00 41 K 8.35 4.37 0.00 1.74 1.69 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.27 1.41 7.81 42 R 8.03 3.58 0.00 0.90 0.66 0.00 2.54 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 43 N 7.84 5.03 0.00 3.26 2.89 0.00 0.00 6.72 7.79 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 44 N 6.72 5.03 0.00 2.73 2.58 0.00 0.00 7.08 7.02 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 45 F 9.53 4.90 0.00 3.27 3.15 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 46 K 9.26 4.04 0.00 1.79 1.94 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 47 S 8.06 4.84 0.00 3.94 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 48 A 8.04 3.48 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.74 0.00 1.97 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 2.36 0.00 50 D 7.92 4.29 0.00 3.06 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 51 C 7.47 2.45 0.00 2.60 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 52 M 7.68 3.85 0.00 2.02 2.06 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 2.54 2.48 0.00 53 R 7.71 3.79 0.00 1.81 1.89 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 54 T 8.17 4.00 4.21 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 1.46 0.00 0.00 55 C 7.93 4.40 0.00 2.88 2.30 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 56 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 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