NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1900 8.2644 123.5790 51.6112 19.8390 175.2974 2 T 3.6899 8.1858 114.8096 62.0913 68.1013 171.8095 3 Q 3.9591 9.4362 125.3275 53.8528 30.1937 171.8716 4 T 4.8274 7.7385 118.3866 58.2519 67.8391 172.5698 5 V 4.2737 8.0556 124.4382 62.1334 35.0712 172.0495 6 T 4.6531 7.9868 115.1438 63.2537 70.1220 174.2336 7 L 5.3303 9.2224 123.9693 53.0081 45.8770 175.6987 8 A 4.7132 9.5213 126.5194 51.4166 20.1967 176.7490 9 V 4.4839 8.1888 120.8315 59.3612 33.4567 174.6869 10 P 4.4616 0.0000 0.0000 62.9410 31.3850 174.8161 11 G 4.2569 8.8561 111.5055 46.5610 0.0000 178.5779 12 M 3.6716 7.9053 113.4767 55.3692 33.2098 176.6602 13 T 4.3323 8.4537 110.1765 61.5737 68.4764 174.6082 14 C 4.5047 9.2694 122.0039 56.0079 44.1951 174.2292 15 A 3.8233 8.5031 128.5517 53.9750 17.9545 177.8823 16 A 3.9932 6.8610 129.8575 52.2048 22.9627 178.5303 17 C 4.4696 7.8627 120.4214 60.9538 36.2128 173.7477 18 P 4.1721 0.0000 0.0000 65.8667 30.6145 178.1131 19 I 3.7410 6.9694 119.3189 64.3248 37.0871 177.6004 20 T 3.9498 7.4197 110.1147 63.8112 69.0668 176.9041 21 V 3.6002 7.6445 120.8121 66.4080 30.9714 176.9288 22 K 3.7121 8.0264 117.9531 60.1562 31.7628 178.2055 23 K 3.8431 8.0597 116.9703 59.5693 32.2971 178.7677 24 A 3.9915 8.6638 121.4688 55.6997 18.0003 179.4136 25 L 3.8471 7.7018 115.7353 57.9742 41.8228 179.0440 26 S 4.4286 7.7534 109.7320 59.0243 62.2699 174.9658 27 K 4.3868 8.0307 121.0952 59.9259 34.1423 177.1326 28 V 3.8968 7.5993 119.7382 62.3386 33.3258 174.9252 29 E 4.3196 8.5069 117.1766 56.7830 30.7399 177.3931 30 G 4.6726 8.7377 107.8847 46.5368 0.0000 173.8013 31 V 3.9672 6.4604 118.2732 63.6284 32.3967 174.0147 32 S 4.6416 8.3452 119.5413 58.4345 68.9465 174.8490 33 K 4.9075 8.1691 120.3253 55.2802 36.2839 174.4825 34 V 4.6320 7.9938 119.4134 61.2910 33.9957 173.9796 35 D 4.6793 9.3187 120.0108 53.8826 44.1719 174.4640 36 V 4.8931 7.9059 121.1887 61.5517 35.1552 173.3933 37 G 4.1768 8.8421 109.7770 46.0221 0.0000 173.9817 38 F 4.6499 9.1123 121.9241 58.6307 40.1416 176.7181 39 E 3.4147 8.0074 119.1255 59.0196 29.1686 177.1150 40 K 4.2498 7.3870 114.9903 54.6315 35.7860 176.0289 41 R 5.7211 7.0507 127.0968 56.9116 30.6955 174.3694 42 E 4.6948 7.8522 118.1762 55.3264 34.5794 176.4342 43 A 4.9689 9.3272 126.4077 49.8997 20.4425 173.4470 44 V 4.4374 9.2727 121.5399 61.9747 33.5658 175.0655 45 V 4.6905 8.2966 118.9773 61.1005 37.1895 173.1742 46 T 4.8377 8.6929 117.8415 62.1087 70.7744 173.1028 47 F 5.5695 8.9703 123.8630 55.7086 41.7398 173.6747 48 D 4.2130 9.3514 115.6717 52.8131 42.5582 176.2473 49 D 5.3599 8.6490 117.7871 55.0491 41.0198 178.2598 50 T 3.9275 7.6291 117.7668 66.7618 68.5267 175.2903 51 K 4.6036 7.9161 116.7382 56.5024 34.6216 175.2919 52 A 4.3582 7.7879 120.6001 51.3945 21.5344 175.3239 53 S 5.6928 8.1277 108.2048 57.5735 66.6036 176.9643 54 V 3.7968 8.2262 124.2644 66.3169 30.9734 177.8241 55 Q 4.3279 8.0612 120.1033 58.5343 28.8176 178.1176 56 K 3.9108 8.0338 118.8521 59.9162 32.0865 178.5479 57 L 3.7805 7.8128 119.0777 57.9945 41.6167 179.4839 58 T 3.8144 8.1301 109.2064 64.9576 68.6866 175.9398 59 K 3.7975 9.1301 122.9308 59.3433 32.0279 178.6138 60 A 4.0436 8.2026 119.8881 54.9915 18.4568 179.5911 61 T 4.0036 8.1577 108.7678 65.0737 68.9523 176.7847 62 A 4.1196 8.6622 123.0226 53.3059 18.4569 178.0617 63 D 4.6215 7.6214 115.5171 54.2286 41.2808 176.5403 64 A 4.4324 7.9370 121.3750 51.5094 19.7309 175.7359 65 G 3.6296 8.2294 105.9680 45.3712 0.0000 173.4937 66 Y 4.6551 6.2471 116.3818 55.8797 39.2620 172.8209 67 P 5.4507 0.0000 0.0000 61.2891 33.3118 172.8662 68 S 4.7373 7.9870 114.1753 60.0138 65.3014 174.1061 69 S 4.6223 8.7489 112.7414 57.6228 66.0761 174.9910 70 V 4.3468 8.4054 123.4382 62.8654 32.6331 174.9975 71 K 4.6237 9.3924 124.3384 55.6571 37.3388 175.8922 72 Q 4.0983 8.4056 121.8826 56.4112 29.3804 174.9922 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 A 8.26 4.19 1.24 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 0.00 0.00 0.00 2 T 8.19 3.69 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 Q 9.44 3.96 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 1.97 2.35 0.00 4 T 7.74 4.83 4.15 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 1.15 0.00 0.00 5 V 8.06 4.27 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 0.95 0.00 0.00 0.88 0.00 0.00 6 T 7.99 4.65 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 7 L 9.22 5.33 0.00 1.68 1.47 1.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.52 4.71 1.24 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 0.00 0.00 0.00 9 V 8.19 4.48 2.13 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 1.01 0.00 0.00 1.00 0.00 0.00 10 P 0.00 4.46 0.00 2.11 2.12 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 11 G 8.86 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.91 3.67 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 13 T 8.45 4.33 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 1.29 0.00 0.00 14 C 9.27 4.50 0.00 3.03 3.12 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 15 A 8.50 3.82 1.28 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 0.00 0.00 0.00 16 A 6.86 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.86 4.47 0.00 3.14 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.54 2.55 0.00 3.53 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 19 I 6.97 3.74 1.75 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.77 0.00 0.00 20 T 7.42 3.95 3.62 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 0.00 0.00 0.00 0.78 0.00 0.00 21 V 7.64 3.60 2.27 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 1.05 0.00 0.00 1.20 0.00 0.00 22 K 8.03 3.71 0.00 1.88 1.74 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.86 7.81 23 K 8.06 3.84 0.00 1.91 1.84 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.51 7.81 24 A 8.66 3.99 1.42 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 0.00 0.00 0.00 25 L 7.70 3.85 0.00 1.78 1.75 1.03 0.83 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 26 S 7.75 4.43 0.00 3.90 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 27 K 8.03 4.39 0.00 1.87 1.96 0.00 1.52 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.63 7.81 28 V 7.60 3.90 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 0.79 0.00 0.00 0.89 0.00 0.00 29 E 8.51 4.32 0.00 2.10 1.99 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 2.37 2.36 0.00 30 G 8.74 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 6.46 3.97 2.12 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 0.81 0.00 0.00 1.08 0.00 0.00 32 S 8.35 4.64 0.00 3.92 3.82 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 0.00 0.00 0.00 33 K 8.17 4.91 0.00 1.80 1.60 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.38 7.81 34 V 7.99 4.63 2.11 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 0.64 0.00 0.00 0.96 0.00 0.00 35 D 9.32 4.68 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 4.89 2.10 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 0.83 0.00 0.00 1.00 0.00 0.00 37 G 8.84 4.18 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 0.00 38 F 9.11 4.65 0.00 2.99 3.08 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 39 E 8.01 3.41 0.00 1.87 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 2.29 2.35 0.00 40 K 7.39 4.25 0.00 1.63 1.50 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.27 7.81 41 R 7.05 5.72 0.00 2.10 1.97 0.00 3.10 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 42 E 7.85 4.69 0.00 1.84 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 2.21 2.38 0.00 43 A 9.33 4.97 1.28 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 0.00 0.00 0.00 44 V 9.27 4.44 2.27 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 0.90 0.00 0.00 0.94 0.00 0.00 45 V 8.30 4.69 2.20 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 0.90 0.00 0.00 1.09 0.00 0.00 46 T 8.69 4.84 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 1.17 0.00 0.00 47 F 8.97 5.57 0.00 3.18 3.23 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 0.00 0.00 0.00 0.00 48 D 9.35 4.21 0.00 2.56 2.67 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 0.00 0.00 0.00 0.00 49 D 8.65 5.36 0.00 2.76 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 50 T 7.63 3.93 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 51 K 7.92 4.60 0.00 1.68 1.73 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.45 7.81 52 A 7.79 4.36 1.24 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 0.00 0.00 0.00 53 S 8.13 5.69 0.00 3.91 3.70 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 54 V 8.23 3.80 2.20 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 1.06 0.00 0.00 1.15 0.00 0.00 55 Q 8.06 4.33 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 56 K 8.03 3.91 0.00 2.03 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.49 7.81 57 L 7.81 3.78 0.00 1.28 1.30 -0.96 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.13 3.81 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 1.20 0.00 0.00 59 K 9.13 3.80 0.00 1.64 2.06 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.49 7.81 60 A 8.20 4.04 1.33 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 0.00 0.00 0.00 61 T 8.16 4.00 4.40 0.00 0.00 0.00 0.00 0.00 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 62 A 8.66 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 4.62 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.63 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 0.00 0.00 0.00 66 Y 6.25 4.66 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.45 0.00 2.04 2.03 0.00 3.77 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 68 S 7.99 4.74 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.62 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.41 4.35 2.11 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 0.82 0.00 0.00 1.00 0.00 0.00 71 K 9.39 4.62 0.00 1.73 1.64 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.39 7.81 72 Q 8.41 4.10 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00