NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3960 8.1127 119.6570 56.1779 32.4564 173.4138 5 E 4.7279 8.3633 119.5769 53.3175 32.7421 173.1004 6 C 4.3685 9.9849 127.8418 59.4954 32.6289 173.5573 7 D 4.5000 8.7059 126.9781 55.9534 39.7569 175.7899 8 Y 4.4141 7.0501 118.2786 58.8609 41.3914 175.9042 9 C 4.0112 8.1761 115.6762 59.3495 30.7857 175.7648 10 G 3.9708 8.1142 108.2071 44.9883 0.0000 173.3817 11 T 4.3319 7.5060 110.0255 61.0644 70.8879 173.2801 12 D 4.9665 8.4705 122.2205 54.1035 41.5813 176.6333 13 I 4.0011 8.2121 124.9634 60.4381 37.2934 175.6901 14 E 3.8443 8.9650 128.3705 55.6414 29.7233 175.0569 15 P 4.2106 0.0000 0.0000 64.6092 31.4817 176.0161 16 G 3.8605 9.6626 108.5051 46.5400 0.0000 172.9008 17 T 4.5175 7.6493 113.8051 62.6664 72.6643 174.2728 18 G 4.1286 9.0083 108.7716 45.7607 0.0000 172.6136 19 T 4.8142 8.3911 113.4043 61.7886 73.0383 173.1700 20 M 5.0201 8.7171 123.9758 53.8513 34.2988 174.4756 21 F 4.7907 9.6100 129.8923 57.3117 41.3374 174.4987 22 V 4.3221 7.5376 126.2225 61.2028 32.2981 175.0886 23 H 4.0572 8.6162 126.0627 55.1051 29.4402 176.9593 24 K 3.8882 8.6977 122.2154 59.7455 31.9534 177.8389 25 D 4.4099 7.9582 115.8645 54.1269 39.5554 176.6022 26 G 3.9524 7.8089 106.4838 45.0109 0.0000 174.1069 27 A 4.2370 8.6326 122.5180 52.6304 19.7810 176.6353 28 T 4.9686 8.3376 115.1440 62.0643 72.2264 173.6259 29 T 4.6872 9.0617 122.9917 62.0695 71.8578 172.6770 30 H 5.0451 9.0656 124.6010 54.7624 30.6493 174.3310 31 F 5.3985 9.4870 122.8664 55.8896 41.0176 176.7419 32 C 4.3654 9.1800 117.4572 60.2617 30.3253 173.4065 33 S 4.5740 7.5405 114.4013 56.5504 66.2234 175.7740 34 S 4.2775 8.2882 117.6915 60.7283 62.7270 175.9097 35 K 3.7185 8.0423 122.8983 59.6395 31.7861 178.2306 36 C 4.1366 7.7302 115.1432 62.8082 27.9646 175.8701 37 E 2.6405 7.3835 120.1307 59.1506 28.7176 179.2901 38 N 4.1903 8.0765 115.2987 56.3250 38.9833 176.9944 39 N 4.5132 8.2647 117.7612 56.2050 38.6454 177.3343 40 A 4.1267 7.6905 122.2563 55.3158 18.2301 179.4024 41 D 4.3771 7.7575 116.0854 56.7108 40.2979 177.9259 42 L 4.3836 7.6887 118.1837 54.4135 41.4429 178.1446 43 G 3.8563 7.8201 107.0964 45.7764 0.0000 174.4235 44 R 4.2548 7.3457 118.6519 55.6341 31.0487 175.7332 45 E 4.5814 8.4583 119.7674 54.3680 31.7944 176.8526 46 A 3.3860 8.2261 127.3858 55.1572 18.3649 179.5004 47 R 3.8804 7.6689 110.1894 58.3907 29.5946 176.8917 48 N 4.5645 8.2206 114.9482 52.9055 39.2236 174.5355 49 L 4.4608 7.2729 119.8124 52.6544 42.2793 176.9171 50 E 3.9421 8.9059 124.9154 58.9337 29.5071 178.7296 51 W 4.5332 7.7025 113.9287 57.7897 29.2852 176.7252 52 T 3.9662 7.0541 110.9794 61.0145 68.8261 175.4572 53 D 4.3701 8.6877 124.0802 57.7758 40.6988 177.7512 54 T 3.7020 7.1823 115.2484 66.1746 68.1272 175.3016 55 A 3.7422 6.9097 124.0470 55.8685 19.1407 177.7770 56 R 4.1041 8.0978 116.2316 55.9525 29.6775 176.7137 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 4 R 8.11 4.40 0.00 1.78 1.92 0.00 2.98 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.36 4.73 0.00 1.94 1.75 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 2.28 2.53 0.00 6 C 9.98 4.37 0.00 3.04 2.90 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 7 D 8.71 4.50 0.00 2.64 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 8 Y 7.05 4.41 0.00 2.97 2.98 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 0.00 9 C 8.18 4.01 0.00 3.20 3.41 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 10 G 8.11 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 0.00 0.00 0.00 11 T 7.51 4.33 4.30 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 1.32 0.00 0.00 12 D 8.47 4.97 0.00 2.61 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 13 I 8.21 4.00 1.91 0.00 0.00 0.94 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 0.59 0.97 0.00 0.00 14 E 8.96 3.84 0.00 1.92 1.93 0.00 0.00 0.00 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 2.41 0.00 15 P 0.00 4.21 0.00 2.23 2.07 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.66 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 17 T 7.65 4.52 4.58 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 1.25 0.00 0.00 18 G 9.01 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 19 T 8.39 4.81 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 1.30 0.00 0.00 20 M 8.72 5.02 0.00 1.95 1.80 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 1.90 2.34 0.00 21 F 9.61 4.79 0.00 3.33 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 V 7.54 4.32 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.62 4.06 0.00 3.35 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.70 3.89 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.96 4.41 0.00 2.82 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 26 G 7.81 3.95 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 0.00 0.00 0.00 27 A 8.63 4.24 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.34 4.97 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 1.21 0.00 0.00 29 T 9.06 4.69 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 0.58 0.00 0.00 30 H 9.07 5.05 0.00 3.12 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.49 5.40 0.00 3.13 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 32 C 9.18 4.37 0.00 3.17 3.17 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 33 S 7.54 4.57 0.00 4.03 4.03 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 34 S 8.29 4.28 0.00 3.98 4.09 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 35 K 8.04 3.72 0.00 1.76 1.85 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.57 1.41 7.81 36 C 7.73 4.14 0.00 3.37 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 37 E 7.38 2.64 0.00 1.65 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 1.47 2.07 0.00 38 N 8.08 4.19 0.00 2.72 2.79 0.00 0.00 7.14 7.99 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 39 N 8.26 4.51 0.00 2.87 3.11 0.00 0.00 6.92 7.65 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 40 A 7.69 4.13 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 41 D 7.76 4.38 0.00 2.70 2.65 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 42 L 7.69 4.38 0.00 1.97 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.82 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 44 R 7.35 4.25 0.00 2.33 1.98 0.00 3.25 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.46 4.58 0.00 1.97 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 2.31 2.29 0.00 46 A 8.23 3.39 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.88 0.00 1.84 1.96 0.00 2.97 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 N 8.22 4.56 0.00 2.72 2.85 0.00 0.00 6.85 7.84 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 49 L 7.27 4.46 0.00 0.98 0.97 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.91 3.94 0.00 2.02 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 0.00 2.32 2.34 0.00 51 W 7.70 4.53 0.00 3.54 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.05 3.97 3.88 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 0.00 0.00 0.15 0.00 0.00 53 D 8.69 4.37 0.00 2.88 2.78 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 54 T 7.18 3.70 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 1.07 0.00 0.00 55 A 6.91 3.74 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.10 4.10 0.00 1.97 1.91 0.00 3.13 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 1.87 1.57 0.00