NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1793 8.2549 119.6874 54.8947 31.8109 175.0942 2 P 4.0164 0.0000 0.0000 62.2517 31.8107 176.3234 3 D 4.4079 8.3807 121.6521 56.9170 41.7247 178.5347 4 F 4.3472 7.8902 114.7052 59.5833 37.6051 177.7397 5 C 4.7024 7.5521 116.3008 59.1036 40.0435 174.6544 6 L 4.3571 7.8155 118.8540 53.9903 42.0660 176.4652 7 E 4.3329 7.4807 119.4316 54.7191 30.2975 174.9693 8 P 4.4001 0.0000 0.0000 61.5196 32.1023 174.3611 9 P 3.5668 0.0000 0.0000 62.6569 31.3534 175.2733 10 Y 4.6211 7.7978 121.1399 56.0700 40.4541 175.3884 11 T 4.1540 8.2896 125.3259 65.2469 68.8383 175.9161 12 G 3.6618 6.8493 105.0720 43.9462 0.0000 171.1316 13 P 4.1711 0.0000 0.0000 64.3889 31.9427 177.6581 14 C 4.1570 7.6102 116.7110 56.8818 40.7200 173.1367 15 F 4.9150 8.1344 118.6092 57.7972 39.0782 176.1732 16 A 4.3872 7.7492 123.5689 50.9188 20.7723 177.8391 17 R 4.7384 7.9564 116.7227 54.6910 29.3798 173.3078 18 I 4.3927 8.2877 122.3321 59.2930 39.7326 175.7246 19 I 4.2093 8.2913 128.4052 61.3141 37.6812 175.4411 20 R 4.8438 8.3933 124.9160 54.7011 35.0689 173.4771 21 Y 5.6365 9.4512 117.7257 56.5441 41.2780 175.3227 22 F 5.7430 9.6216 117.0490 55.4145 41.9961 172.8493 23 Y 4.4597 10.0737 122.6364 57.0686 40.2242 173.9326 24 N 4.7947 7.8762 125.5186 51.3096 38.8984 174.6926 25 A 3.8464 8.2596 129.4000 54.8249 18.8003 178.9323 26 K 4.0541 8.0556 114.5572 58.8154 32.2088 177.9363 27 A 4.2614 7.9817 119.7095 51.7665 19.9215 177.9142 28 G 3.9983 8.8198 103.6877 44.8013 0.0000 172.4209 29 L 4.9255 6.8654 118.6245 54.0072 44.6821 175.5578 30 C 4.9428 8.6779 116.5526 56.3230 38.6856 173.1700 31 Q 4.9032 8.6730 124.0912 54.3018 32.3777 174.4005 32 T 4.8704 8.4555 112.9869 61.3185 70.7075 173.4121 33 F 4.9853 8.8404 116.7786 56.1208 42.0131 172.8043 34 V 4.4015 8.4165 119.7291 61.8924 32.5394 174.1336 35 Y 4.7801 8.8385 130.0468 56.0595 40.3882 176.4674 36 G 3.7511 8.3589 113.4023 46.4646 0.0000 175.1097 37 G 3.7961 6.3637 107.6935 45.1485 0.0000 172.4573 38 C 4.9878 6.5631 111.3276 54.1175 44.7441 173.2345 39 R 3.7997 8.8084 116.5651 57.2309 27.0209 176.8755 40 A 4.2999 8.2454 119.1167 52.3281 19.1144 178.4039 41 K 4.3180 8.2793 120.8000 55.0405 33.7658 177.4078 42 R 3.4614 7.9976 117.9846 58.8990 30.3670 177.5988 43 N 4.8339 7.7354 118.0062 51.4656 37.4804 174.4643 44 N 5.1107 6.6293 116.5994 52.7822 41.5896 173.0806 45 F 5.0267 9.4484 124.7470 55.5869 42.4592 176.5955 46 K 4.4090 8.8592 122.0926 58.2694 32.8068 177.9048 47 S 4.5100 7.8074 112.8063 55.4251 67.2624 174.6012 48 A 3.3556 7.2427 124.8549 54.8882 18.0812 179.8132 49 E 3.7245 7.7723 117.3817 59.4976 29.9114 178.5626 50 D 4.2791 7.9537 118.8476 57.4261 40.9001 177.9879 51 C 2.4500 7.5526 118.3507 59.1390 44.3875 175.7203 52 L 3.8551 7.8975 120.7725 57.7657 40.9197 179.7369 53 R 3.9149 7.8393 117.1420 58.7168 30.0042 178.2752 54 T 4.3293 7.1951 113.8492 64.3782 69.6122 174.7565 55 C 4.5200 8.2685 115.8236 55.5964 42.1731 174.0754 56 G 3.8166 7.3373 109.2020 47.4091 0.0000 174.1525 57 G 3.8624 8.9122 112.1301 45.0508 0.0000 173.1213 58 A 4.0637 7.2449 127.1998 52.4080 18.2422 177.2721 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.34 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 2 P 0.00 4.02 0.00 0.63 1.52 0.00 3.22 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 3 D 8.38 4.41 0.00 2.69 2.72 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 4 F 7.89 4.35 0.00 3.21 3.34 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 0.00 5 C 7.55 4.70 0.00 2.98 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 6 L 7.82 4.36 0.00 1.74 1.76 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.48 4.33 0.00 2.16 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 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.06 2.01 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.57 0.00 0.70 0.49 0.00 3.22 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.00 10 Y 7.80 4.62 0.00 2.79 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 11 T 8.29 4.15 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 1.18 0.00 0.00 12 G 6.85 3.66 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 0.00 0.00 0.00 13 P 0.00 4.17 0.00 2.01 2.10 0.00 3.87 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 1.86 1.96 0.00 14 C 7.61 4.16 0.00 2.73 2.87 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 15 F 8.13 4.91 0.00 3.03 2.88 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 0.00 16 A 7.75 4.39 1.14 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 0.00 0.00 17 R 7.96 4.74 0.00 1.75 1.77 0.00 3.21 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 18 I 8.29 4.39 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.97 0.00 0.00 19 I 8.29 4.21 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 1.26 0.41 0.68 0.00 0.00 20 R 8.39 4.84 0.00 0.81 1.80 0.00 3.42 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 1.42 1.50 0.00 21 Y 9.45 5.64 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.62 5.74 0.00 3.08 2.93 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 0.00 0.00 0.00 23 Y 10.07 4.46 0.00 3.10 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 24 N 7.88 4.79 0.00 2.27 2.43 0.00 0.00 6.73 7.92 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 25 A 8.26 3.85 1.40 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 0.00 0.00 0.00 26 K 8.06 4.05 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.98 4.26 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 28 G 8.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.87 4.93 0.00 1.68 1.71 0.81 0.63 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 30 C 8.68 4.94 0.00 2.89 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 31 Q 8.67 4.90 0.00 1.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 32 T 8.46 4.87 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 0.82 0.00 0.00 33 F 8.84 4.99 0.00 3.04 3.20 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 34 V 8.42 4.40 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 0.73 0.00 0.00 0.92 0.00 0.00 35 Y 8.84 4.78 0.00 2.49 2.71 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 G 8.36 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 0.00 0.00 0.00 37 G 6.36 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 38 C 6.56 4.99 0.00 3.02 2.93 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 0.00 0.00 0.00 39 R 8.81 3.80 0.00 2.19 2.21 0.00 3.24 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 A 8.25 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.28 4.32 0.00 1.73 1.67 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.05 7.81 42 R 8.00 3.46 0.00 0.86 0.66 0.00 2.55 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 43 N 7.74 4.83 0.00 3.24 2.90 0.00 0.00 6.69 7.79 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 44 N 6.63 5.11 0.00 2.66 2.55 0.00 0.00 7.08 7.02 0.00 0.00 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 F 9.45 5.03 0.00 3.31 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 46 K 8.86 4.41 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.47 7.81 47 S 7.81 4.51 0.00 3.85 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 0.00 48 A 7.24 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.72 0.00 1.94 1.87 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 2.30 2.33 0.00 50 D 7.95 4.28 0.00 2.97 2.87 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 51 C 7.55 2.45 0.00 2.73 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.86 0.00 1.72 1.61 0.86 0.99 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 53 R 7.84 3.91 0.00 1.85 1.93 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.20 4.33 4.10 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 1.62 0.00 0.00 55 C 8.27 4.52 0.00 2.71 2.26 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 56 G 7.34 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 0.00 0.00 0.00 57 G 8.91 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 58 A 7.24 4.06 1.05 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