NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4735 8.3349 115.3051 57.6956 63.7901 173.2046 8 D 4.6849 8.4372 124.0549 52.8726 41.9999 174.3452 9 F 5.3401 8.8336 115.5739 55.4310 42.1525 173.6929 10 V 4.5195 8.7858 112.2315 59.5623 35.0871 174.9084 11 V 4.7534 8.7546 124.9657 61.5302 33.7163 174.5778 12 I 4.9215 9.0961 128.0623 59.5209 40.8128 174.0302 13 K 4.9857 9.1415 129.4557 54.3493 34.2285 175.0556 14 A 4.4797 8.7238 130.5275 52.1698 19.0467 177.4725 15 L 4.6516 8.9499 122.7991 54.9169 42.4969 176.0698 16 E 4.6682 7.6644 115.5196 54.8925 32.3599 174.3410 17 D 4.4599 8.3435 119.2708 55.5766 41.3493 177.1442 18 G 3.8714 8.5252 110.1182 45.3183 0.0000 173.8083 19 V 3.7363 7.5930 119.4097 63.5146 32.7245 174.1895 20 N 5.2443 9.0894 125.9152 51.9101 41.4771 173.1792 21 V 4.5403 8.7489 127.8777 61.6889 33.2562 174.3994 22 I 4.8283 8.8378 130.5035 59.5474 39.3956 175.1595 23 G 4.2142 8.9867 115.4402 45.3627 0.0000 172.2845 24 L 5.4913 8.8721 125.8348 52.8015 44.2987 176.2051 25 T 4.4509 8.6122 114.3991 61.8672 69.0247 174.2306 26 R 4.3794 7.9031 127.0566 56.8964 30.9565 174.9467 27 G 3.7209 8.7152 109.3079 44.0328 0.0000 173.1824 28 A 4.1070 8.6124 121.2325 54.1431 18.6629 177.7152 29 D 4.9799 7.8417 114.1152 52.8431 43.2967 175.7477 30 T 4.7576 8.2681 118.2783 62.0660 70.9083 173.3690 31 R 4.8607 8.5943 121.9294 54.6311 33.5237 174.2431 32 F 5.0838 8.9566 115.2371 57.2905 38.2669 174.8227 33 H 4.7283 9.1913 115.9327 56.0377 30.6678 173.6764 34 H 4.9311 8.0555 118.4680 54.8360 33.4521 171.6922 35 S 4.9560 8.5691 119.9035 56.4613 64.5211 172.3598 36 E 4.5982 9.1843 129.3450 54.3756 31.3178 174.8229 37 K 4.8204 8.6445 126.9535 55.8946 33.7045 176.3967 38 L 4.9501 8.9417 124.2308 53.1064 45.0158 176.2620 39 D 5.0200 9.2315 123.6792 52.6633 43.0601 175.9238 40 K 3.9854 9.0263 122.1517 58.4101 32.3062 177.0931 41 G 4.0093 8.9942 115.4592 45.1356 0.0000 173.4285 42 E 4.3100 8.1237 119.6650 56.1050 30.9335 175.9261 43 V 4.9063 8.2922 122.0165 61.0031 34.3998 174.2030 44 L 4.7569 9.0718 129.7640 53.2577 44.9052 174.9422 45 I 5.0518 8.5305 126.2430 59.6835 39.1897 174.4953 46 A 4.7673 8.9433 129.3316 50.0317 21.8075 175.2850 47 Q 4.8062 8.6141 120.6472 54.9897 30.3383 175.9130 48 F 4.7060 8.4320 120.6578 58.1288 39.2084 175.0000 49 T 4.6894 8.8745 110.6726 60.3246 71.8539 173.9958 50 E 4.1746 8.9322 121.2115 59.2975 29.7698 177.2854 51 H 4.5104 7.8750 115.1162 56.1747 30.0289 174.2052 52 T 5.3468 8.5207 117.2989 61.9288 70.7261 174.6307 53 S 4.9859 8.9101 119.8254 57.9221 64.9026 173.4741 54 A 5.1394 7.9245 121.5191 51.2398 22.4699 175.2160 55 I 5.0155 8.7095 122.0384 59.2915 40.5198 174.8214 56 K 4.6376 9.2754 127.7933 54.5044 35.0875 174.5969 57 V 4.8488 8.4359 126.3354 61.1784 33.7304 174.5840 58 R 4.5632 9.0124 126.6848 55.6098 33.0736 175.9607 59 G 4.0752 8.9828 108.4484 44.2136 0.0000 172.4979 60 K 4.5977 9.5315 120.5906 55.7521 33.1109 175.4946 61 A 5.1014 8.7135 127.8004 50.8522 23.4161 173.8477 62 Y 4.8071 9.1815 122.4745 56.3276 40.6722 174.4079 63 I 5.0338 8.3453 127.6587 59.5852 40.4641 174.4495 64 Q 5.1837 9.0455 126.0935 54.3671 31.5993 174.9050 65 T 4.8417 8.5348 112.6279 59.5176 72.4981 174.7527 66 R 3.7341 8.4982 120.6791 59.3146 30.0070 176.4749 67 H 4.6487 7.8292 113.1581 55.3987 29.3193 173.6280 68 G 3.7355 7.5221 106.1538 44.0138 0.0000 173.0927 69 V 4.5252 8.0191 118.7768 62.0075 33.0984 176.3533 70 I 4.6176 8.2129 124.6768 59.6061 41.9719 173.1616 71 E 5.0971 8.5634 126.1294 54.5306 32.4692 175.8265 72 S 4.6923 8.8204 119.0686 57.6267 65.5424 172.9088 73 E 4.9128 8.4589 119.6864 54.4356 32.6053 175.8662 74 G 3.5260 9.2875 111.9355 47.4771 0.0000 173.7123 75 K 4.8812 8.0999 121.5825 56.3308 31.9033 174.5939 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 7 S 8.33 4.47 0.00 3.93 3.92 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 0.00 0.00 0.00 8 D 8.44 4.68 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.83 5.34 0.00 3.04 2.95 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 0.00 0.00 0.00 10 V 8.79 4.52 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.88 0.00 0.00 11 V 8.75 4.75 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 1.17 0.00 0.00 1.20 0.00 0.00 12 I 9.10 4.92 1.89 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 1.11 0.68 0.93 0.00 0.00 13 K 9.14 4.99 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.72 4.48 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.95 4.65 0.00 1.67 1.73 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.67 0.00 2.02 1.89 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 2.19 2.33 0.00 17 D 8.34 4.46 0.00 2.69 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 18 G 8.53 3.87 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 0.00 19 V 7.59 3.74 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 1.03 0.00 0.00 0.96 0.00 0.00 20 N 9.09 5.24 0.00 2.75 2.57 0.00 0.00 6.51 7.23 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 21 V 8.75 4.54 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 0.92 0.00 0.00 0.93 0.00 0.00 22 I 8.84 4.83 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 0.85 0.00 0.00 23 G 8.99 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 0.00 0.00 0.00 0.00 24 L 8.87 5.49 0.00 1.76 1.66 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.61 4.45 4.27 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 1.26 0.00 0.00 26 R 7.90 4.38 0.00 1.89 1.94 0.00 3.21 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.72 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 0.00 0.00 0.00 28 A 8.61 4.11 1.29 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 29 D 7.84 4.98 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.76 4.27 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 1.26 0.00 0.00 31 R 8.59 4.86 0.00 1.90 2.01 0.00 2.71 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 1.50 1.49 0.00 32 F 8.96 5.08 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.19 4.73 0.00 3.05 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.06 4.93 0.00 3.31 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.57 4.96 0.00 3.72 3.71 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 E 9.18 4.60 0.00 2.17 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 37 K 8.64 4.82 0.00 1.67 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 L 8.94 4.95 0.00 1.52 1.53 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.23 5.02 0.00 2.72 2.66 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 40 K 9.03 3.99 0.00 1.71 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 G 8.99 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 0.00 0.00 0.00 42 E 8.12 4.31 0.00 2.06 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 2.32 2.25 0.00 43 V 8.29 4.91 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 0.85 0.00 0.00 0.94 0.00 0.00 44 L 9.07 4.76 0.00 1.76 1.47 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.53 5.05 1.78 0.00 0.00 0.82 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 0.69 0.80 0.00 0.00 46 A 8.94 4.77 1.15 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 0.00 0.00 47 Q 8.61 4.81 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.43 4.71 0.00 3.06 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 49 T 8.87 4.69 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.93 4.17 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 51 H 7.87 4.51 0.00 3.48 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.52 5.35 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 8.91 4.99 0.00 3.82 4.07 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 54 A 7.92 5.14 1.30 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 0.00 0.00 55 I 8.71 5.02 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.88 0.00 0.00 56 K 9.28 4.64 0.00 1.77 1.61 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 V 8.44 4.85 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 9.01 4.56 0.00 1.73 1.74 0.00 3.05 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 59 G 8.98 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.53 4.60 0.00 1.81 1.71 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 A 8.71 5.10 1.25 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 0.00 0.00 62 Y 9.18 4.81 0.00 3.03 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 63 I 8.35 5.03 1.92 0.00 0.00 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 1.22 0.76 0.91 0.00 0.00 64 Q 9.05 5.18 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 65 T 8.53 4.84 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 1.16 0.00 0.00 66 R 8.50 3.73 0.00 1.61 1.82 0.00 3.21 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.83 4.65 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.52 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 0.00 0.00 0.00 69 V 8.02 4.53 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 0.16 0.00 0.00 0.85 0.00 0.00 70 I 8.21 4.62 1.81 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 1.19 1.19 0.85 0.00 0.00 71 E 8.56 5.10 0.00 1.82 1.81 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 2.19 2.08 0.00 72 S 8.82 4.69 0.00 3.95 3.97 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 73 E 8.46 4.91 0.00 1.81 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 2.20 2.29 0.00 74 G 9.29 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.10 4.88 0.00 1.83 2.08 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81