NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.1257 8.0549 114.0554 61.7225 33.0663 174.3913 6 T 3.7876 8.7194 116.6152 65.9782 68.4453 172.5898 7 K 4.7655 7.6303 118.1564 52.7153 36.3323 175.2260 8 C 4.4939 8.6778 121.6118 56.8407 45.2534 171.2630 9 N 4.5969 8.6222 122.4558 53.0960 37.5440 178.1789 10 I 3.8086 8.7479 124.1124 62.1899 38.7289 173.5187 11 T 4.5511 8.0201 120.1570 61.8789 70.1764 170.1158 12 C 4.9176 8.2015 117.0497 55.0229 44.0794 173.4404 13 S 4.2348 8.3703 109.8067 57.8361 65.7803 173.8360 14 K 4.2661 7.9101 122.0266 54.8412 31.3747 174.9019 15 M 4.6390 8.4146 126.5912 55.0291 32.4101 176.8028 16 T 4.2298 8.5347 121.6978 64.0997 69.5550 173.7057 17 S 4.7622 8.3300 117.7385 56.6185 65.1240 174.5399 18 K 2.0000 7.9870 121.6051 56.4255 31.8438 175.6524 19 I 4.0050 5.5738 126.4100 58.3352 38.5772 173.8040 20 P 4.1592 0.0000 0.0000 63.1632 31.7303 177.8857 21 V 3.7723 8.4332 115.2354 63.7969 32.0722 178.3158 22 A 4.0249 8.1265 122.2822 55.2257 18.4063 178.7147 23 L 4.1500 7.7334 114.4272 56.6165 41.8945 176.9664 24 L 5.0889 7.8298 119.3859 53.4798 42.9464 176.2320 25 I 4.6565 8.1198 113.1981 60.5572 39.1570 174.5005 26 H 4.7463 7.9097 120.6056 56.0799 32.8704 171.8991 27 Y 5.5755 8.0044 119.9897 55.9280 41.4130 174.0428 28 Q 4.4433 8.7331 117.0301 55.0814 32.1691 173.8283 29 Q 4.8830 8.6810 120.6573 55.6042 30.2515 174.9991 30 N 4.7417 8.8075 119.2922 52.4344 38.8055 174.6197 31 Q 4.2051 8.5246 117.0705 55.2674 29.7592 177.4339 32 A 3.9806 8.6218 123.6432 55.4065 18.6148 179.6639 33 S 4.4092 7.9617 108.4681 59.9092 63.4184 176.4469 34 C 4.4388 8.1060 118.9698 58.5063 41.3997 173.9443 35 G 3.8313 7.7639 106.5956 43.6709 0.0000 176.9379 36 K 3.7571 8.8169 123.0106 56.4791 32.1908 175.3871 37 R 4.3322 8.4001 125.2379 56.0673 31.0181 175.2708 38 A 4.7704 9.0357 125.4498 50.3493 23.1403 174.6163 39 I 4.7706 8.3057 121.9813 59.7761 39.6621 174.9541 40 I 4.6101 8.9341 129.1866 60.5543 38.2534 174.8712 41 L 5.2587 9.1172 128.0701 53.0501 44.5585 175.2430 42 E 5.2696 9.0865 123.3300 54.6384 32.6758 175.9053 43 T 5.5060 8.8274 117.4917 60.5087 70.5018 175.9481 44 R 3.9198 8.6160 120.0210 59.3924 30.1025 178.0391 45 Q 4.3048 8.0572 113.7347 56.2600 28.8120 175.5450 46 H 4.3077 8.0878 114.0886 56.7752 26.7175 174.9870 47 R 4.2590 7.7765 117.9194 55.5078 30.9219 175.3052 48 L 5.1729 7.9020 121.0801 53.3287 43.5192 175.6885 49 F 4.9772 9.3113 121.3640 55.7924 43.8456 172.7359 50 C 5.5289 8.9525 119.0895 54.9631 40.8376 172.1109 51 A 5.1559 9.2897 127.8760 49.9060 22.2380 174.6848 52 D 4.5095 8.6246 121.9170 52.9997 41.3082 175.2687 53 P 4.1984 0.0000 0.0000 64.8441 31.6589 177.8221 54 K 4.0167 7.7145 118.4131 58.7446 32.3392 177.1295 55 E 4.2021 7.9930 119.8116 55.5260 30.3648 177.4131 56 Q 3.9262 8.8849 124.4513 59.0779 29.0802 178.5944 57 W 4.4455 8.2690 117.2366 59.5680 27.8730 178.4237 58 V 2.6718 6.7262 118.9462 65.3383 30.8093 178.0130 59 K 3.7024 7.6891 117.7124 59.5952 31.8332 178.7633 60 D 4.2960 8.5876 119.0148 57.3283 40.7415 178.7859 61 A 4.0274 8.2204 121.5691 55.4571 18.3713 179.6149 62 M 3.2193 7.8560 117.3251 58.2681 31.8650 178.9799 63 Q 3.9491 8.1108 118.3361 59.1172 28.6536 178.3547 64 H 4.1860 8.1504 118.0369 59.3676 30.0568 176.7349 65 L 4.1174 8.2805 119.5978 58.2245 41.6158 179.0680 66 D 4.6019 8.5612 117.6195 56.9615 42.0911 178.7336 67 R 4.3563 7.7568 118.7574 54.2931 26.1001 176.7298 68 Q 4.3077 7.5175 120.8220 56.8287 29.8150 174.4780 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 5 V 8.05 4.13 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 0.89 0.00 0.00 0.96 0.00 0.00 6 T 8.72 3.79 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 K 7.63 4.77 0.00 1.64 1.65 0.00 1.49 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 8 C 8.68 4.49 0.00 2.97 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 9 N 8.62 4.60 0.00 2.73 2.09 0.00 0.00 7.10 7.45 0.00 0.00 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 I 8.75 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.92 0.00 0.00 11 T 8.02 4.55 4.25 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 1.22 0.00 0.00 12 C 8.20 4.92 0.00 3.10 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 13 S 8.37 4.23 0.00 3.96 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 14 K 7.91 4.27 0.00 1.76 1.85 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.41 7.81 15 M 8.41 4.64 0.00 2.01 2.07 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 2.63 2.55 0.00 16 T 8.53 4.23 4.42 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 1.12 0.00 0.00 17 S 8.33 4.76 0.00 3.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.99 2.00 0.00 0.79 1.21 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.86 0.50 7.81 19 I 5.57 4.01 1.72 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 0.75 0.00 0.00 20 P 0.00 4.16 0.00 2.10 1.92 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 21 V 8.43 3.77 2.18 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 0.88 0.00 0.00 0.92 0.00 0.00 22 A 8.13 4.02 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 23 L 7.73 4.15 0.00 1.87 1.75 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.83 5.09 0.00 1.81 1.69 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.12 4.66 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.93 0.00 0.00 26 H 7.91 4.75 0.00 3.25 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.00 5.58 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 28 Q 8.73 4.44 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 29 Q 8.68 4.88 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 30 N 8.81 4.74 0.00 2.80 2.91 0.00 0.00 6.97 6.95 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 31 Q 8.52 4.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 32 A 8.62 3.98 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 33 S 7.96 4.41 0.00 4.02 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 0.00 34 C 8.11 4.44 0.00 3.06 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 35 G 7.76 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 36 K 8.82 3.76 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 37 R 8.40 4.33 0.00 1.81 1.79 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 38 A 9.04 4.77 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 39 I 8.31 4.77 1.82 0.00 0.00 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 1.29 1.04 0.98 0.00 0.00 40 I 8.93 4.61 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.96 0.00 0.00 41 L 9.12 5.26 0.00 1.80 1.75 1.08 0.55 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 42 E 9.09 5.27 0.00 2.08 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 2.19 2.24 0.00 43 T 8.83 5.51 4.34 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 1.51 0.00 0.00 44 R 8.62 3.92 0.00 1.85 2.06 0.00 3.22 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 45 Q 8.06 4.30 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 46 H 8.09 4.31 0.00 3.35 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.26 0.00 2.00 1.43 0.00 3.15 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 48 L 7.90 5.17 0.00 1.39 1.55 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.31 4.98 0.00 2.99 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 50 C 8.95 5.53 0.00 3.05 3.10 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 0.00 0.00 0.00 0.00 51 A 9.29 5.16 1.03 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 0.00 0.00 52 D 8.62 4.51 0.00 2.69 2.54 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 53 P 0.00 4.20 0.00 2.13 2.08 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 54 K 7.71 4.02 0.00 1.68 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 55 E 7.99 4.20 0.00 1.84 1.77 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 2.37 2.22 0.00 56 Q 8.88 3.93 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 57 W 8.27 4.45 0.00 3.55 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 58 V 6.73 2.67 1.66 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 0.67 0.00 0.00 -0.58 0.00 0.00 59 K 7.69 3.70 0.00 1.89 1.76 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.67 7.81 60 D 8.59 4.30 0.00 2.86 2.74 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 61 A 8.22 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.86 3.22 0.00 0.89 1.65 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.19 0.00 63 Q 8.11 3.95 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 64 H 8.15 4.19 0.00 3.16 3.55 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.28 4.12 0.00 1.95 1.97 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.56 4.60 0.00 2.87 2.79 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 0.00 0.00 0.00 0.00 67 R 7.76 4.36 0.00 2.09 1.93 0.00 3.26 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 68 Q 7.52 4.31 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00