NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0990 8.2393 117.2594 55.0739 30.8979 175.0018 2 P 4.1946 0.0000 0.0000 60.2449 32.3961 175.8085 3 D 4.2617 8.3850 119.0738 56.5953 40.2043 179.7798 4 F 4.2671 8.0148 115.6534 59.3443 37.5820 177.0554 5 C 4.3920 6.6416 116.2326 57.7446 43.2535 173.3095 6 L 4.7055 7.7840 117.0325 54.7078 43.1096 176.5849 7 E 4.1951 8.0734 119.0590 55.7842 29.9513 175.0036 8 P 4.6487 0.0000 0.0000 61.1967 32.5566 175.1158 9 P 3.6029 0.0000 0.0000 62.7163 28.4441 174.6296 10 Y 4.3509 8.1242 126.7967 57.0262 38.1764 175.7309 11 T 3.9015 8.3236 125.4123 65.3454 68.5872 175.4635 12 G 3.9629 6.3538 102.9171 43.8566 0.0000 172.0622 13 P 4.1600 0.0000 0.0000 64.0342 31.6363 177.4970 14 C 4.4323 7.1817 117.3592 56.8916 40.6457 173.6374 15 K 4.0397 8.3321 121.1663 56.3410 32.2253 176.4302 16 A 4.2982 7.4313 121.9224 51.9471 20.1619 176.8109 17 R 4.7170 8.1408 116.9149 54.8912 33.8639 175.4049 18 I 4.5336 8.8435 125.0997 59.1517 41.1604 174.9983 19 I 4.0040 8.4863 128.5443 61.7691 37.6521 175.5122 20 R 4.8216 8.5066 125.4256 54.7044 35.1079 173.2825 21 Y 5.8161 9.0853 116.7291 56.9758 42.2482 174.8938 22 F 5.5172 9.6428 113.9140 56.0318 41.6486 172.9096 23 Y 4.0809 9.3552 122.7101 57.8335 39.4871 174.8686 24 N 4.3385 8.2699 126.4975 51.2866 38.4129 174.7689 25 A 4.4377 8.6734 129.1276 54.6164 18.6094 178.2250 26 K 4.1830 8.6108 115.3414 57.4028 32.6502 176.9299 27 A 4.4536 8.0912 119.6010 52.8760 20.7617 177.3280 28 G 4.0116 9.9539 103.4465 44.8460 0.0000 172.5093 29 L 3.8554 6.9361 118.3178 54.9188 43.7930 173.3296 30 C 4.8842 8.3217 116.5614 56.0068 40.1436 173.6183 31 Q 4.9670 9.0107 122.4129 54.1046 33.1638 174.7819 32 T 4.8040 8.5871 110.8805 61.8588 70.4225 173.3448 33 F 4.7800 8.8756 116.8493 56.1326 41.8654 172.7528 34 V 4.0578 8.2497 119.6451 62.3440 32.0688 174.3470 35 Y 4.3411 8.6516 129.0827 55.8804 41.3063 174.9301 36 G 3.4808 7.8317 111.7881 44.2459 0.0000 172.6232 37 G 3.6328 6.0068 117.7579 44.1825 0.0000 171.2839 38 C 4.8259 7.5945 111.8914 55.4398 44.8964 173.3203 39 R 3.7082 8.9641 117.7351 57.2539 27.1798 177.0722 40 A 4.2366 8.0058 119.0749 52.3859 19.3510 178.4491 41 K 4.4396 8.2883 122.2617 55.1400 34.3129 176.8377 42 R 3.7180 8.3132 117.6634 59.6829 30.4970 177.6786 43 N 4.7071 7.2681 113.9486 51.8117 37.4933 175.7352 44 N 4.7534 6.2992 114.7782 52.9013 42.2789 174.4670 45 F 5.0832 9.2986 121.9619 55.5853 42.7884 176.1338 46 K 4.4008 8.7127 120.1696 58.1034 32.7686 177.4119 47 S 2.7900 7.2785 111.9793 55.4223 66.6903 175.0748 48 A 3.8965 7.6825 123.7671 55.0315 18.0787 179.1380 49 E 3.7364 8.0345 117.3859 59.7462 29.5424 178.5255 50 D 4.2174 7.9053 117.5832 57.3026 41.2468 177.0717 51 C 2.4500 7.8957 118.9817 59.4448 41.7024 175.3076 52 M 3.9111 8.0634 119.6557 58.8826 31.6531 178.1697 53 R 3.9140 8.0503 116.9739 59.6823 30.2624 179.0190 54 T 4.1825 7.6285 114.5653 66.1536 68.6202 175.0462 55 C 4.8031 8.1594 115.7981 56.2350 45.7603 174.6450 56 G 3.8838 8.4502 108.4377 44.7574 0.0000 175.1274 57 G 3.6490 9.1971 109.2259 45.3838 0.0000 172.8155 58 A 4.0766 8.6869 124.4041 52.6875 18.9590 177.3693 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 8.24 4.10 0.00 1.62 1.82 0.00 2.86 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 2 P 0.00 4.19 0.00 1.40 2.00 0.00 3.25 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.53 0.00 3 D 8.39 4.26 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.01 4.27 0.00 3.45 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 6.64 4.39 0.00 2.58 2.70 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 6 L 7.78 4.71 0.00 1.68 1.61 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.07 4.20 0.00 2.29 1.96 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 2.37 2.32 0.00 8 P 0.00 4.65 0.00 2.21 2.08 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 9 P 0.00 3.60 0.00 1.31 0.49 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.43 0.00 10 Y 8.12 4.35 0.00 3.05 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 11 T 8.32 3.90 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 1.03 0.00 0.00 12 G 6.35 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 0.00 0.00 0.00 13 P 0.00 4.16 0.00 2.16 2.18 0.00 3.75 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 1.97 2.02 0.00 14 C 7.18 4.43 0.00 2.62 2.92 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 0.00 0.00 0.00 0.00 15 K 8.33 4.04 0.00 1.68 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 16 A 7.43 4.30 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 17 R 8.14 4.72 0.00 1.57 1.72 0.00 3.11 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 18 I 8.84 4.53 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.95 0.00 0.00 19 I 8.49 4.00 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.63 0.00 0.00 20 R 8.51 4.82 0.00 1.02 1.78 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 21 Y 9.09 5.82 0.00 3.15 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 22 F 9.64 5.52 0.00 3.15 2.97 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 23 Y 9.36 4.08 0.00 3.22 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 24 N 8.27 4.34 0.00 1.58 2.25 0.00 0.00 6.61 9.03 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 25 A 8.67 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.18 0.00 1.76 2.02 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.57 7.81 27 A 8.09 4.45 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 9.95 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 0.00 0.00 0.00 29 L 6.94 3.86 0.00 1.53 1.59 0.83 0.54 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 30 C 8.32 4.88 0.00 2.79 3.07 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 0.00 0.00 0.00 0.00 31 Q 9.01 4.97 0.00 1.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 32 T 8.59 4.80 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 0.70 0.00 0.00 33 F 8.88 4.78 0.00 2.93 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.06 2.02 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 0.61 0.00 0.00 0.86 0.00 0.00 35 Y 8.65 4.34 0.00 2.41 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 36 G 7.83 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.01 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 38 C 7.59 4.83 0.00 3.09 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 39 R 8.96 3.71 0.00 2.08 2.22 0.00 3.31 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 40 A 8.01 4.24 1.15 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 0.00 0.00 0.00 41 K 8.29 4.44 0.00 1.77 1.92 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.32 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.44 7.81 42 R 8.31 3.72 0.00 1.86 1.35 0.00 2.53 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 43 N 7.27 4.71 0.00 3.03 2.82 0.00 0.00 7.34 8.39 0.00 0.00 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 6.30 4.75 0.00 2.63 2.39 0.00 0.00 6.26 6.18 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 45 F 9.30 5.08 0.00 3.16 2.96 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 46 K 8.71 4.40 0.00 1.77 1.90 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 47 S 7.28 2.79 0.00 3.62 3.64 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 48 A 7.68 3.90 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 49 E 8.03 3.74 0.00 1.97 1.88 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 2.32 2.34 0.00 50 D 7.91 4.22 0.00 2.81 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 51 C 7.90 2.45 0.00 2.86 3.15 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 0.00 52 M 8.06 3.91 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 53 R 8.05 3.91 0.00 1.83 1.97 0.00 3.19 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 54 T 7.63 4.18 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 1.54 0.00 0.00 55 C 8.16 4.80 0.00 2.95 2.96 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 56 G 8.45 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 0.00 0.00 0.00 57 G 9.20 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 0.00 0.00 0.00 58 A 8.69 4.08 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