NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1687 8.2549 117.2639 54.8805 30.7628 175.2357 2 P 4.0819 0.0000 0.0000 62.1870 32.2118 175.2047 3 D 4.3645 8.4679 121.3745 57.6094 42.0321 178.4888 4 F 4.2101 8.0392 112.3537 58.7715 37.8767 175.5883 5 C 4.5918 8.2284 118.2346 60.5567 27.5341 174.3446 6 L 4.4587 7.7987 120.2146 55.6714 41.9933 177.1455 7 E 4.1509 7.7747 118.6505 55.3997 29.8456 175.1384 8 P 4.4988 0.0000 0.0000 61.5649 32.3846 173.7341 9 P 4.0013 0.0000 0.0000 61.6681 32.1577 174.8077 10 Y 4.6270 7.8393 121.3553 56.0585 40.2004 175.4160 11 T 4.2014 7.7687 124.7061 64.8938 68.8104 176.0931 12 G 3.8149 6.6735 106.3153 44.0283 0.0000 171.0544 13 P 4.3596 0.0000 0.0000 64.2975 32.1063 177.4028 14 C 4.5300 7.8124 116.7302 56.8576 40.8484 173.5213 15 K 4.1735 8.1592 118.2854 56.1757 32.3418 176.5273 16 A 4.1412 7.9564 121.9796 52.0198 19.8754 177.6160 17 R 4.5452 8.3507 119.6685 54.2533 30.3796 172.7538 18 I 4.4034 8.4828 123.8332 58.9518 39.6682 174.5167 19 I 4.3524 8.3389 128.5941 60.9969 37.6853 175.3665 20 R 4.8016 8.3350 125.3225 54.5422 34.5058 173.8955 21 Y 5.5503 9.4306 117.6793 56.6247 40.9366 175.3236 22 F 5.8184 9.6684 117.0426 54.7213 42.2306 174.0520 23 Y 4.3481 8.8808 120.7867 56.8168 36.7125 174.7960 24 N 4.4960 8.1041 120.0992 52.7225 40.3547 176.0591 25 A 3.7304 8.1326 131.4952 53.6345 17.9745 177.4031 26 K 4.4373 8.8179 114.2753 58.7273 32.3901 177.1302 27 A 4.1522 8.0917 124.1179 51.9856 19.2861 179.2024 28 G 4.2887 7.8727 103.1953 45.3887 0.0000 173.1540 29 L 4.6506 6.5236 118.4905 54.1790 44.1384 173.8963 30 C 4.9910 8.7108 118.3476 56.6226 39.2435 172.9248 31 Q 4.9089 8.6670 121.0951 54.1480 32.6271 174.9254 32 T 4.8233 8.4118 111.3602 61.5769 70.6460 173.3639 33 F 4.9893 8.9691 117.1113 56.0417 42.2220 172.9712 34 V 4.3256 8.4715 119.2960 61.9974 32.6620 173.6226 35 Y 4.7985 8.5900 130.6170 56.3299 40.1858 176.2927 36 G 4.0242 8.1399 113.1377 45.8915 0.0000 175.0751 37 G 3.8387 6.4956 107.3929 45.1463 0.0000 172.2907 38 C 4.9581 6.9872 112.8376 54.8612 44.6731 173.5774 39 R 4.1001 8.8381 116.2350 56.8633 26.9236 176.6549 40 A 4.1580 7.4925 117.1640 52.9577 18.7030 178.8802 41 K 4.3279 8.3973 121.2503 55.1096 33.8070 177.1340 42 R 3.6234 8.0333 117.7614 58.6039 30.3041 177.3767 43 N 4.9027 7.7364 118.0649 51.1379 36.9006 173.0869 44 N 4.9414 6.6468 115.0067 52.8202 41.7895 173.4094 45 F 5.0817 9.4691 125.3312 55.8212 43.0281 176.3899 46 K 4.4347 9.1746 120.4050 57.7549 32.9469 177.4571 47 S 4.5789 7.8578 112.8833 55.6208 67.1122 174.5510 48 A 3.2858 7.3953 124.5323 55.0698 17.7757 180.0741 49 E 3.7906 7.7305 116.0278 59.4656 29.7825 178.6843 50 D 4.4573 7.8288 116.9287 55.3339 40.1150 177.4144 51 C 2.4500 7.6339 120.4847 59.4396 37.6999 174.7876 52 M 3.8225 8.1242 120.5360 59.3863 31.3384 178.2177 53 R 3.9882 7.6104 119.3136 59.0316 30.9887 177.5967 54 T 4.0959 7.4340 118.3651 65.8769 69.0323 174.9702 55 C 4.2345 7.3417 115.4122 58.3310 30.7118 174.2647 56 G 4.2867 7.7339 112.1228 44.9808 0.0000 173.0901 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 4.17 0.00 1.67 1.83 0.00 3.03 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 1.41 1.51 0.00 2 P 0.00 4.08 0.00 1.14 1.82 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 3 D 8.47 4.36 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.21 0.00 3.13 3.35 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 5 C 8.23 4.59 0.00 2.97 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 6 L 7.80 4.46 0.00 1.67 1.76 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.77 4.15 0.00 2.28 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 2.42 2.52 0.00 8 P 0.00 4.50 0.00 1.97 1.95 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 P 0.00 4.00 0.00 0.52 0.49 0.00 3.35 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.00 10 Y 7.84 4.63 0.00 2.81 2.91 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 11 T 7.77 4.20 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 6.67 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 13 P 0.00 4.36 0.00 2.17 2.18 0.00 3.78 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 1.96 2.02 0.00 14 C 7.81 4.53 0.00 2.81 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 15 K 8.16 4.17 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.33 7.81 16 A 7.96 4.14 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 17 R 8.35 4.55 0.00 1.74 1.78 0.00 3.33 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.48 4.40 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.97 0.00 0.00 19 I 8.34 4.35 1.82 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 1.27 0.41 0.74 0.00 0.00 20 R 8.34 4.80 0.00 0.99 1.92 0.00 3.42 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 21 Y 9.43 5.55 0.00 3.17 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 22 F 9.67 5.82 0.00 3.30 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 23 Y 8.88 4.35 0.00 3.04 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 24 N 8.10 4.50 0.00 2.32 2.43 0.00 0.00 7.24 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 25 A 8.13 3.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.44 0.00 1.72 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 27 A 8.09 4.15 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 28 G 7.87 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.52 4.65 0.00 1.71 1.66 0.78 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.71 4.99 0.00 2.91 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 31 Q 8.67 4.91 0.00 1.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 32 T 8.41 4.82 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 0.56 0.00 0.00 33 F 8.97 4.99 0.00 3.11 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 34 V 8.47 4.33 2.09 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 0.88 0.00 0.00 0.91 0.00 0.00 35 Y 8.59 4.80 0.00 2.52 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 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 37 G 6.50 3.84 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 0.00 38 C 6.99 4.96 0.00 3.07 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 8.84 4.10 0.00 2.25 2.28 0.00 3.46 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 1.60 1.65 0.00 40 A 7.49 4.16 1.11 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 0.00 0.00 0.00 41 K 8.40 4.33 0.00 1.73 1.67 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.15 1.04 7.81 42 R 8.03 3.62 0.00 1.11 0.66 0.00 2.46 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.27 0.00 43 N 7.74 4.90 0.00 3.20 2.86 0.00 0.00 6.74 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 6.65 4.94 0.00 2.74 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 9.47 5.08 0.00 3.25 3.25 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 46 K 9.17 4.43 0.00 1.83 1.93 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 47 S 7.86 4.58 0.00 4.03 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 48 A 7.40 3.29 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 49 E 7.73 3.79 0.00 1.84 1.95 0.00 0.00 0.00 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 2.35 0.00 50 D 7.83 4.46 0.00 2.90 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 51 C 7.63 2.45 0.00 2.80 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 52 M 8.12 3.82 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 53 R 7.61 3.99 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.20 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 54 T 7.43 4.10 4.33 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 0.00 0.00 0.00 1.62 0.00 0.00 55 C 7.34 4.23 0.00 2.11 2.01 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 56 G 7.73 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00