NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0767 8.2549 120.8393 55.0461 30.5328 175.0845 2 P 4.0851 0.0000 0.0000 62.0781 32.1119 176.0142 3 D 4.3731 8.7132 121.5639 57.7908 41.5413 179.1417 4 F 4.3124 8.1181 114.2007 59.9946 37.5609 177.5955 5 C 4.5964 7.2987 115.8352 58.8522 39.9832 174.1089 6 L 4.3894 7.9139 119.2973 54.9191 42.6694 176.9907 7 E 4.1068 7.7602 118.7574 55.6432 29.8592 175.3202 8 P 4.4380 0.0000 0.0000 61.2595 32.1500 174.5631 9 P 3.5334 0.0000 0.0000 62.8165 31.2588 175.4845 10 Y 4.6263 7.7748 121.1902 55.9210 40.1093 175.0249 11 T 4.0863 8.4326 125.6029 65.0588 68.7383 175.9292 12 G 3.5426 6.5380 106.9610 43.9694 0.0000 171.0600 13 P 4.3426 0.0000 0.0000 63.8235 31.9678 177.0658 14 C 4.5592 7.6664 117.3298 56.6067 41.1552 173.6328 15 K 4.4181 8.1053 116.7122 55.9942 32.6211 176.6003 16 A 4.0693 7.7893 122.0472 51.7545 19.4980 177.6401 17 R 4.7135 7.9475 116.4752 54.6690 29.4646 175.6376 18 I 4.2548 7.9873 121.0685 59.4580 39.2044 176.9348 19 I 3.9689 8.2795 128.4071 62.1588 37.7572 175.5591 20 R 4.5000 8.2531 123.7306 55.3052 35.6585 173.0508 21 Y 5.6334 9.1302 116.9674 56.5008 41.3630 175.3604 22 F 5.7576 9.5522 117.7993 55.1968 42.1023 173.2436 23 Y 4.4287 10.0351 122.6977 57.2717 40.0972 173.8119 24 N 4.5416 7.8671 126.4505 52.0996 39.0684 175.4566 25 A 3.6319 8.3994 130.2426 54.9581 18.8345 178.1594 26 K 3.8329 8.1834 115.2478 59.9415 32.1251 177.6960 27 A 3.9693 8.1022 120.6493 53.2487 18.4725 178.3577 28 G 3.9010 9.7439 103.8481 45.0312 0.0000 172.6316 29 L 4.5459 6.7976 117.4890 54.6585 43.4738 174.2091 30 C 4.9937 8.7641 117.2349 57.1410 42.0739 173.1150 31 Q 4.9128 8.5969 120.9240 54.1365 33.3610 174.2400 32 T 4.9678 8.6286 110.8910 61.4922 70.2169 173.7734 33 F 5.1408 9.1603 118.4962 55.3231 42.3637 173.1536 34 V 4.4790 8.4602 118.7673 61.5121 32.7080 173.9277 35 Y 4.8225 8.7295 129.8354 55.7882 40.5071 176.5796 36 G 3.6570 8.2592 114.0863 46.5980 0.0000 175.0880 37 G 3.8105 6.3424 107.2725 45.1701 0.0000 172.1843 38 C 4.9766 7.0076 112.7457 54.4975 44.7902 173.5637 39 R 4.0318 8.8724 115.7609 56.8098 27.1922 176.6459 40 A 4.2298 7.5691 120.1293 52.9550 17.5490 178.6873 41 K 4.3792 8.4160 120.6126 54.8068 33.9833 177.9843 42 R 3.4701 8.0124 118.0956 58.5076 30.4827 177.4304 43 N 4.8932 7.1284 118.9399 51.5720 37.4984 174.3402 44 N 5.2641 6.8387 116.4275 52.3970 42.6536 173.2527 45 F 4.8551 9.1363 123.7839 55.6295 42.8433 175.7784 46 K 4.0803 9.1579 127.0575 58.3669 32.6349 177.1777 47 S 4.7692 8.0921 113.0133 55.9496 64.6441 173.9713 48 A 3.2710 7.9553 130.9998 54.9879 18.1179 178.7124 49 E 3.7108 7.9859 117.1652 59.8423 29.5299 178.8056 50 D 4.2807 7.7686 118.1798 57.2183 40.7891 177.9964 51 C 2.4500 7.5404 119.2065 59.2997 38.7493 175.6330 52 M 3.8042 7.9175 118.8293 58.2500 30.5481 178.3957 53 R 3.8613 7.5030 118.8323 59.1565 30.3235 178.2165 54 T 4.1189 7.7352 115.0439 65.6781 68.5858 174.9009 55 C 4.4009 7.7143 115.4362 56.3042 40.6233 174.1105 56 G 4.1741 7.5289 114.0816 44.8640 0.0000 174.1609 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 4.08 0.00 1.65 1.85 0.00 3.19 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 2 P 0.00 4.09 0.00 1.12 1.73 0.00 3.42 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 1.73 2.03 0.00 3 D 8.71 4.37 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.31 0.00 3.19 3.34 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 5 C 7.30 4.60 0.00 2.97 3.22 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 0.00 6 L 7.91 4.39 0.00 1.66 1.77 0.94 1.13 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 7 E 7.76 4.11 0.00 1.99 1.90 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 2.44 2.48 0.00 8 P 0.00 4.44 0.00 1.96 1.90 0.00 3.67 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 2.01 2.06 0.00 9 P 0.00 3.53 0.00 0.96 0.49 0.00 3.26 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.00 10 Y 7.77 4.63 0.00 2.75 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 11 T 8.43 4.09 4.11 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 1.17 0.00 0.00 12 G 6.54 3.54 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 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.69 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 7.67 4.56 0.00 2.78 2.99 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 15 K 8.11 4.42 0.00 1.64 1.73 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.34 7.81 16 A 7.79 4.07 1.17 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 0.00 0.00 17 R 7.95 4.71 0.00 1.59 1.81 0.00 3.33 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 18 I 7.99 4.25 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.99 0.95 0.00 0.00 19 I 8.28 3.97 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.63 0.00 0.00 20 R 8.25 4.50 0.00 0.67 1.65 0.00 3.29 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 21 Y 9.13 5.63 0.00 3.28 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 9.55 5.76 0.00 3.30 3.02 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 23 Y 10.04 4.43 0.00 3.11 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 24 N 7.87 4.54 0.00 2.17 2.41 0.00 0.00 6.65 7.44 0.00 0.00 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 8.40 3.63 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.83 0.00 1.70 2.06 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 A 8.10 3.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.74 3.90 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 0.00 0.00 0.00 29 L 6.80 4.55 0.00 1.70 1.74 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.76 4.99 0.00 2.86 3.13 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 0.00 31 Q 8.60 4.91 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 32 T 8.63 4.97 4.12 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 0.00 0.00 1.11 0.00 0.00 33 F 9.16 5.14 0.00 2.97 3.04 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 34 V 8.46 4.48 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 0.90 0.00 0.00 35 Y 8.73 4.82 0.00 2.49 2.72 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 36 G 8.26 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.34 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.01 4.98 0.00 3.06 3.09 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 39 R 8.87 4.03 0.00 2.15 2.25 0.00 3.28 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 40 A 7.57 4.23 1.09 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 41 K 8.42 4.38 0.00 1.78 1.63 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.16 7.81 42 R 8.01 3.47 0.00 1.02 0.66 0.00 3.03 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 43 N 7.13 4.89 0.00 3.27 2.87 0.00 0.00 6.87 7.67 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 44 N 6.84 5.26 0.00 2.69 2.43 0.00 0.00 7.05 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 9.14 4.86 0.00 3.60 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.08 0.00 1.79 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 47 S 8.09 4.77 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.27 0.46 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.99 3.71 0.00 1.95 1.90 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 2.31 2.35 0.00 50 D 7.77 4.28 0.00 3.10 2.80 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 51 C 7.54 2.45 0.00 2.66 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 7.92 3.80 0.00 2.17 2.22 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 2.47 2.64 0.00 53 R 7.50 3.86 0.00 1.77 1.99 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 T 7.74 4.12 4.19 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 1.49 0.00 0.00 55 C 7.71 4.40 0.00 2.68 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 0.00 0.00 0.00 56 G 7.53 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 0.00 0.00 0.00 0.00