NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 W 5.2795 8.2749 120.5456 56.7126 30.5533 175.1723 12 N 4.4073 9.7153 122.2433 53.8971 38.8496 173.7434 13 T 4.8345 8.3910 107.2541 58.7020 73.1541 174.4514 14 K 4.0367 8.5557 120.9937 59.5802 31.9218 179.4359 15 E 4.0090 7.7891 119.0021 59.2608 29.3521 179.1514 16 E 3.9773 8.2225 118.3503 59.1374 29.4878 179.0873 17 A 2.9563 7.6676 120.3910 54.6095 18.4614 179.6610 18 K 4.1984 8.3271 117.2699 59.5753 32.1522 179.1968 19 Q 3.9484 8.0920 119.6059 59.3402 28.9265 178.4156 20 A 4.0729 7.4861 121.4613 54.8473 18.2903 179.1356 21 F 3.6007 8.2157 119.4053 61.3908 39.3456 177.3528 22 K 3.7443 8.0569 118.9617 59.4294 32.0174 178.5540 23 E 3.9236 8.1369 118.8755 59.4878 29.3361 179.4178 24 L 3.9602 8.0315 119.1454 57.5048 41.5234 179.4404 25 L 3.6857 7.5052 119.1141 57.5225 41.4095 179.7747 26 K 3.9262 7.8413 118.4788 59.5015 31.8220 179.3562 27 E 4.0159 8.0436 117.6659 58.5454 29.3806 178.5272 28 K 4.2527 7.8459 115.8921 54.7654 33.5131 176.7745 29 R 3.5282 7.5645 117.9157 57.0675 27.9970 177.2607 30 V 3.6293 7.9058 117.3397 61.8283 32.5782 173.8733 31 P 4.3618 0.0000 0.0000 62.7336 31.7241 177.6368 32 S 4.2172 8.6288 116.1060 60.8412 63.1526 174.6416 33 N 4.6857 8.0028 116.1066 52.8977 38.7937 174.8698 34 A 4.3743 7.6214 122.2382 51.7857 19.2748 178.6664 35 S 4.5296 9.0807 117.8695 57.5859 65.0561 175.7300 36 W 4.2705 8.9014 133.1998 61.0950 30.4603 178.1897 37 E 3.8966 8.5353 117.8577 59.4995 28.9704 179.2194 38 Q 3.9572 8.0181 117.4605 58.7954 28.8088 178.4484 39 A 3.8349 8.2095 122.1420 55.3093 18.3139 179.5668 40 M 3.7779 7.7008 117.1513 58.3323 32.0277 179.1588 41 K 3.8216 7.9006 118.5970 59.7337 31.9946 179.3690 42 M 4.0160 7.6980 117.8637 58.2132 32.0210 178.6296 43 I 3.7570 7.7020 120.1240 64.3951 37.0533 178.3516 44 I 2.8686 7.4256 119.5179 64.3547 36.9065 178.0063 45 N 4.3822 7.7226 115.8452 54.7802 38.7579 175.1737 46 D 4.5278 7.7811 121.5152 52.8704 41.8203 175.2610 47 P 4.3779 0.0000 0.0000 65.2868 31.6291 177.0616 48 R 4.3402 8.6742 117.9870 56.5855 30.4568 177.2924 49 Y 4.2987 8.4595 121.7047 61.0378 38.6098 178.3018 50 S 3.8285 8.2716 114.1622 61.3080 62.5825 176.2158 51 A 3.9837 7.8860 123.7645 54.7651 18.3880 178.8560 52 L 4.6954 8.2198 117.0283 57.1403 42.0428 178.9742 53 A 3.8319 7.4655 119.5231 54.9188 18.2487 178.7773 54 K 3.9500 7.7578 117.4037 58.3390 32.4872 176.6873 55 L 4.2958 7.7216 122.4277 54.0054 42.1156 177.5132 56 S 4.2762 8.7897 121.5695 60.5789 63.4128 175.0094 57 E 4.6470 7.8397 121.0641 55.5411 30.5370 177.8546 58 K 3.5212 7.6476 120.1975 60.1053 32.6077 177.4651 59 K 4.2285 7.8205 117.7630 59.4469 31.9432 179.2979 60 Q 4.0310 7.8998 116.6336 58.0728 28.7812 177.4163 61 A 4.2957 7.3727 119.9823 52.7873 19.0235 178.0284 62 F 5.3206 7.5642 116.6073 57.4340 40.2077 177.7588 63 N 4.1597 8.3036 118.3185 56.0171 38.5599 176.3726 64 A 4.0108 7.8154 119.2352 53.6305 18.7973 177.2744 65 Y 4.5937 7.5370 111.7379 58.2663 40.2009 175.6613 66 K 3.5224 7.9754 124.9009 56.1536 32.0248 175.9379 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 11 W 8.27 5.28 0.00 3.33 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 12 N 9.72 4.41 0.00 2.94 2.93 0.00 0.00 6.87 6.69 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 13 T 8.39 4.83 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 14 K 8.56 4.04 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 15 E 7.79 4.01 0.00 1.93 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 2.50 0.00 16 E 8.22 3.98 0.00 2.39 2.25 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 2.45 2.42 0.00 17 A 7.67 2.96 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 18 K 8.33 4.20 0.00 2.10 2.11 0.00 1.95 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.88 7.81 19 Q 8.09 3.95 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 20 A 7.49 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.22 3.60 0.00 2.60 2.81 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 22 K 8.06 3.74 0.00 2.02 1.95 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.52 7.81 23 E 8.14 3.92 0.00 2.19 1.96 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 2.32 2.48 0.00 24 L 8.03 3.96 0.00 1.54 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.51 3.69 0.00 1.53 1.50 -0.12 0.48 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 26 K 7.84 3.93 0.00 1.95 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.61 7.81 27 E 8.04 4.02 0.00 2.03 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 2.50 2.47 0.00 28 K 7.85 4.25 0.00 1.66 1.72 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.65 7.81 29 R 7.56 3.53 0.00 1.84 1.87 0.00 3.14 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 30 V 7.91 3.63 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 0.66 0.00 0.00 0.78 0.00 0.00 31 P 0.00 4.36 0.00 2.20 1.95 0.00 3.61 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 2.09 2.06 0.00 32 S 8.63 4.22 0.00 3.99 4.01 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 33 N 8.00 4.69 0.00 2.74 2.90 0.00 0.00 6.91 7.35 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 34 A 7.62 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.08 4.53 0.00 3.93 3.91 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 36 W 8.90 4.27 0.00 3.47 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 3.90 0.00 2.17 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 2.74 2.84 0.00 38 Q 8.02 3.96 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 39 A 8.21 3.83 1.18 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 0.00 0.00 40 M 7.70 3.78 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.54 0.00 41 K 7.90 3.82 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.59 7.81 42 M 7.70 4.02 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 43 I 7.70 3.76 1.95 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 1.05 0.00 0.00 44 I 7.43 2.87 1.74 0.00 0.00 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 0.19 0.24 0.50 0.00 0.00 45 N 7.72 4.38 0.00 2.84 2.83 0.00 0.00 6.95 7.62 0.00 0.00 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 D 7.78 4.53 0.00 2.64 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 47 P 0.00 4.38 0.00 2.24 2.19 0.00 3.82 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 2.00 2.00 0.00 48 R 8.67 4.34 0.00 2.05 2.06 0.00 3.17 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 49 Y 8.46 4.30 0.00 3.30 3.07 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 0.00 0.00 0.00 0.00 50 S 8.27 3.83 0.00 4.04 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 0.00 51 A 7.89 3.98 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.70 0.00 1.90 1.98 1.18 1.30 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 53 A 7.47 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.76 3.95 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.39 7.81 55 L 7.72 4.30 0.00 2.10 1.86 1.02 0.72 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 56 S 8.79 4.28 0.00 4.02 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 57 E 7.84 4.65 0.00 1.99 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 2.29 2.32 0.00 58 K 7.65 3.52 0.00 2.08 1.83 0.00 2.13 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.59 7.81 59 K 7.82 4.23 0.00 1.93 2.07 0.00 1.90 0.00 0.00 2.18 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 2.00 1.71 7.81 60 Q 7.90 4.03 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 61 A 7.37 4.30 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 62 F 7.56 5.32 0.00 3.46 3.07 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 0.00 0.00 0.00 0.00 63 N 8.30 4.16 0.00 2.65 2.80 0.00 0.00 7.05 7.29 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 64 A 7.82 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.54 4.59 0.00 3.07 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 66 K 7.98 3.52 0.00 0.79 1.09 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.70 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.81 0.21 7.81