NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8621 8.3544 109.7429 44.9402 0.0000 177.1949 2 S 4.4292 8.5709 125.5038 55.9168 63.1781 171.2241 3 T 4.7311 9.0537 121.0809 61.6663 70.6414 172.9271 4 Y 5.1526 8.3917 118.3606 58.1493 39.8524 175.2845 5 V 4.7229 8.1206 112.4187 60.8045 36.3066 174.1375 6 Q 4.2957 9.1969 120.3186 55.1227 32.3708 174.3872 7 A 4.2979 8.9272 126.9036 50.3584 18.2135 177.7368 8 L 4.0398 9.3688 126.5955 58.5080 43.2768 176.3078 9 F 4.4971 7.7902 115.0701 56.3541 43.8071 172.5171 10 D 4.6877 9.2104 119.4963 54.1442 41.7642 176.2473 11 F 4.6543 8.2225 126.7384 56.2486 41.2127 173.4916 12 D 4.6030 7.7942 126.3221 51.3247 40.4714 174.5751 13 P 4.4842 0.0000 0.0000 63.4161 32.1492 176.6449 14 Q 4.5228 9.9246 118.0469 56.5814 32.4523 174.2356 15 E 4.6839 7.9323 117.2052 54.5013 33.6534 174.6212 16 D 4.7368 8.4709 120.6174 57.9426 39.7474 176.1623 17 G 4.0496 9.3582 112.9783 45.1136 0.0000 171.6404 18 E 4.1691 7.3644 120.2386 56.3514 30.3062 175.7302 19 L 4.9722 8.7054 122.4277 53.8296 44.3433 176.3489 20 G 4.4597 9.0982 110.1535 46.1204 0.0000 171.4769 21 F 5.2625 7.9775 121.0142 55.5725 42.2849 172.9963 22 R 4.6366 8.8111 115.4065 56.1306 33.9923 175.2384 23 R 3.6113 8.6609 122.1896 55.3608 30.2010 176.1534 24 G 3.7984 9.2747 114.3945 45.3774 0.0000 173.4761 25 D 4.1612 7.7758 120.6862 54.3827 41.8126 175.9079 26 F 5.4791 8.3734 122.8367 56.4714 39.3037 175.2486 27 I 3.6063 8.2395 124.9414 60.9515 39.6174 174.3400 28 H 4.2800 8.5030 128.6096 54.1543 30.3649 173.1419 29 V 4.0215 7.8781 125.5780 63.4989 29.4645 174.8907 30 M 3.9022 8.2623 127.2009 57.8421 33.3090 175.1314 31 D 4.2570 7.8033 115.2186 53.0437 44.1391 173.7050 32 N 3.4200 8.3609 123.1514 53.1302 36.4856 175.2251 33 S 4.4299 8.5547 119.4021 59.8290 64.0912 174.5940 34 D 5.0564 8.5388 119.4776 51.6610 42.8076 175.6255 35 P 4.2517 0.0000 0.0000 66.0791 31.4099 176.5744 36 N 4.4784 7.9447 116.0371 52.3116 40.2160 173.4027 37 W 4.9416 7.6270 115.8106 55.2727 33.8656 174.1757 38 W 5.7821 8.4110 122.2018 55.3350 33.7259 173.5165 39 K 5.1722 8.5834 122.3398 55.8871 33.8728 175.9163 40 G 4.7294 8.7899 111.1345 46.7333 0.0000 171.3234 41 A 4.4233 8.0210 118.6389 53.2263 22.2624 174.8243 42 C 4.8223 8.9750 120.2407 60.3284 34.6973 175.9223 43 H 4.4739 9.2484 113.8423 57.6972 26.2164 175.7565 44 G 4.0384 8.2906 110.1131 46.6146 0.0000 170.5109 45 Q 4.4655 7.8663 117.8033 54.1698 32.7239 175.3741 46 T 4.7491 9.1158 112.8194 60.3343 71.0953 173.5833 47 G 4.1269 6.9864 107.7749 45.1575 0.0000 171.5009 48 M 5.5908 8.1744 119.0199 54.4124 34.9565 175.4628 49 F 4.4872 8.9350 114.0343 54.7626 41.9512 171.7760 50 P 2.9700 0.0000 0.0000 62.1726 31.6754 177.5498 51 R 3.1722 7.8997 125.3919 58.5574 29.9734 177.2958 52 N 4.5881 7.5462 112.7497 54.0598 39.0005 174.6920 53 Y 4.3947 7.9910 116.3660 57.7249 38.0866 174.9037 54 V 5.1800 7.2917 111.6784 60.3676 36.5335 174.3648 55 T 4.8523 8.4777 114.2092 59.6563 70.8003 171.3730 56 P 4.7071 0.0000 0.0000 63.3831 31.5104 176.0548 57 V 4.2073 8.6273 120.4333 63.6410 33.0603 176.0093 58 N 4.7392 7.7747 118.0188 50.1489 35.9907 174.8054 59 R 4.1320 7.8023 125.7650 57.7883 30.0125 174.1888 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 G 8.35 3.86 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 0.00 0.00 0.00 2 S 8.57 4.43 0.00 3.96 3.79 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 3 T 9.05 4.73 3.98 0.00 0.00 0.00 0.00 0.00 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 4 Y 8.39 5.15 0.00 2.89 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 5 V 8.12 4.72 2.42 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 0.95 0.00 0.00 1.07 0.00 0.00 6 Q 9.20 4.30 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 7 A 8.93 4.30 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.37 4.04 0.00 1.65 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.79 4.50 0.00 2.56 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 10 D 9.21 4.69 0.00 2.66 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 11 F 8.22 4.65 0.00 2.59 1.53 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 12 D 7.79 4.60 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 4.48 0.00 1.91 2.11 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.30 0.00 14 Q 9.92 4.52 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 15 E 7.93 4.68 0.00 2.21 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 2.26 2.39 0.00 16 D 8.47 4.74 0.00 2.66 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 17 G 9.36 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 0.00 0.00 0.00 0.00 18 E 7.36 4.17 0.00 2.33 2.24 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 3.05 2.74 0.00 19 L 8.71 4.97 0.00 2.10 2.05 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.10 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 5.26 0.00 3.10 3.16 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 0.00 22 R 8.81 4.64 0.00 1.90 1.83 0.00 3.32 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 23 R 8.66 3.61 0.00 2.05 1.80 0.00 3.22 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.00 24 G 9.27 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.16 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 5.48 0.00 3.00 3.13 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 27 I 8.24 3.61 1.40 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.33 0.50 0.00 0.00 28 H 8.50 4.28 0.00 3.15 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.88 4.02 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 0.05 0.00 0.00 1.02 0.00 0.00 30 M 8.26 3.90 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 31 D 7.80 4.26 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.36 3.42 0.00 2.62 1.47 0.00 0.00 5.71 7.38 0.00 0.00 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 8.55 4.43 0.00 4.03 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 34 D 8.54 5.06 0.00 2.98 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 35 P 0.00 4.25 0.00 2.14 2.17 0.00 3.81 0.00 0.00 3.65 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 36 N 7.94 4.48 0.00 2.83 2.90 0.00 0.00 6.39 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.63 4.94 0.00 3.22 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 38 W 8.41 5.78 0.00 2.56 2.82 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 39 K 8.58 5.17 0.00 1.89 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.46 7.81 40 G 8.79 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.42 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 4.82 0.00 2.71 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 43 H 9.25 4.47 0.00 3.47 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.29 4.04 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 0.00 0.00 0.00 45 Q 7.87 4.47 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 46 T 9.12 4.75 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 1.23 0.00 0.00 47 G 6.99 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 0.00 0.00 0.00 48 M 8.17 5.59 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 49 F 8.93 4.49 0.00 3.04 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 50 P 0.00 2.97 0.00 1.55 1.01 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.99 0.00 51 R 7.90 3.17 0.00 0.67 1.09 0.00 2.73 0.00 0.00 2.59 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 52 N 7.55 4.59 0.00 2.60 2.80 0.00 0.00 6.81 7.40 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 53 Y 7.99 4.39 0.00 3.12 3.21 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 54 V 7.29 5.18 2.24 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 0.98 0.00 0.00 1.14 0.00 0.00 55 T 8.48 4.85 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 1.27 0.00 0.00 56 P 0.00 4.71 0.00 2.19 2.15 0.00 3.84 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 2.05 2.05 0.00 57 V 8.63 4.21 2.17 0.00 0.00 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 1.20 0.00 0.00 58 N 7.77 4.74 0.00 2.88 2.88 0.00 0.00 5.89 7.75 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 59 R 7.80 4.13 0.00 1.78 1.79 0.00 3.45 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00