NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.3739 8.2798 113.8137 61.8968 33.3790 173.5969 2 R 4.4191 8.5642 117.8520 55.3118 33.1141 171.8520 3 D 4.9611 8.7431 118.8472 52.0804 43.8893 177.4951 4 G 2.6103 6.1997 108.2743 45.6997 0.0000 171.1557 5 Y 5.3501 7.2144 117.2259 56.7210 38.5553 175.6319 6 I 4.0700 8.5225 125.3349 61.2927 38.7552 174.7188 7 A 5.0869 8.4822 130.4544 50.3141 21.1394 176.0681 8 L 4.3402 8.8663 123.5485 53.2240 44.2321 174.2590 9 P 4.4365 0.0000 0.0000 63.0794 32.5590 174.6997 10 H 4.9689 9.1633 122.0692 54.2973 31.8600 173.9885 11 N 4.4384 8.9221 121.1412 54.8661 37.4023 173.4556 12 C 4.9409 7.9912 112.7708 54.5353 42.4618 173.7039 13 A 4.7569 8.2154 126.0154 51.3307 20.2153 176.4459 14 Y 4.5277 8.5577 117.5887 56.7165 38.7952 175.8926 15 G 4.3515 8.8169 112.4340 46.6015 0.0000 170.6913 16 C 5.4320 8.7898 115.1351 54.1754 44.5703 173.8120 17 L 4.5008 8.9326 118.1769 54.4820 43.3435 177.0489 18 N 5.1238 7.9864 115.9187 50.6479 42.7030 174.8045 19 N 4.4936 8.9328 122.3197 56.4851 38.7580 177.2988 20 E 3.9766 8.2662 119.5788 59.4930 29.4931 178.5654 21 Y 4.2449 8.0336 118.8860 61.1991 38.9450 178.7820 22 C 3.7075 7.7097 116.1719 59.6164 38.4251 175.7007 23 N 4.1490 8.3420 119.1056 56.4415 38.5338 176.4086 24 N 4.3265 8.1268 118.4077 56.5653 38.9801 176.4097 25 L 3.8113 7.9238 121.8293 58.4035 42.1569 178.3279 26 C 4.1679 8.1717 116.8021 60.2296 41.2903 176.3382 27 T 4.1612 7.8098 112.6841 64.2631 68.1075 176.7473 28 K 3.9766 7.9878 120.4335 58.7761 32.0737 177.9602 29 D 4.6971 7.3737 117.0929 54.0999 41.0188 177.2279 30 G 3.8718 8.0174 108.3178 44.6571 0.0000 173.9337 31 A 4.5585 7.7635 121.6453 50.9840 19.2714 178.8416 32 K 3.9143 8.5763 121.1436 59.5890 32.8832 176.6046 33 I 4.2301 6.7496 117.1449 61.2834 41.2945 172.9291 34 G 4.2904 8.1345 110.8587 44.9586 0.0000 171.5041 35 Y 5.1031 8.8363 117.5172 56.1321 42.8278 174.2347 36 C 4.9436 9.0646 122.4715 55.9011 44.4333 171.9498 37 N 5.2445 9.1513 125.9402 51.2777 41.5406 173.6136 38 I 4.2079 8.7257 125.4864 61.2179 38.9529 175.6698 39 V 4.2733 8.0671 127.3786 61.4526 30.8498 175.0036 40 G 2.6375 8.1083 110.0030 48.1277 0.0000 174.2070 41 K 4.4761 7.3603 119.2113 53.6273 35.1052 174.0079 42 Y 4.3049 8.4773 123.5236 60.9632 39.9265 175.0140 43 G 4.3510 9.0362 114.4566 44.2181 0.0000 175.1494 44 N 5.7286 9.1022 119.7092 51.2848 42.9846 171.6064 45 A 5.0065 9.0932 121.8105 50.3800 23.8797 174.7215 46 C 4.9555 9.2068 117.5430 56.7734 41.9266 172.6843 47 W 5.1183 9.4832 134.7779 55.8090 32.7248 173.6493 48 C 5.1014 8.5542 124.8895 55.2978 43.2498 172.6502 49 I 4.6788 8.2149 123.1781 59.8386 39.0179 176.1289 50 Q 3.6536 9.0200 127.1046 56.7419 26.7692 173.7349 51 L 4.0906 7.8057 119.5542 54.0291 43.4414 174.2834 52 P 4.5799 0.0000 0.0000 62.7328 32.0547 177.2765 53 D 4.3696 8.7514 121.2504 57.6325 40.8638 177.9719 54 N 4.6546 8.0373 113.3869 53.7576 38.8522 174.6335 55 V 4.1171 7.3759 119.6256 60.6269 32.5574 173.8257 56 P 4.6284 0.0000 0.0000 62.6153 32.4343 175.3175 57 I 5.0061 8.0330 115.3998 58.6025 40.8551 174.9618 58 R 4.2157 9.0206 124.2342 56.6340 30.4623 176.1038 59 V 4.6467 8.1753 117.4386 58.3757 35.3762 173.7053 60 P 4.2479 0.0000 0.0000 62.9581 31.5986 176.7825 61 G 4.0729 8.3151 107.9072 43.4608 0.0000 172.9490 62 R 4.1568 7.9930 119.0012 55.7576 30.8042 176.8323 63 C 4.7647 8.4660 121.4190 56.1624 43.6487 173.0673 64 H 4.8701 9.1840 125.1570 52.8022 29.1871 170.4921 65 P 4.7420 0.0000 0.0000 62.3667 32.0402 176.6015 66 A 4.1806 8.4741 126.1953 52.4210 18.3191 176.9061 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 V 8.28 4.37 1.98 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 0.88 0.00 0.00 0.91 0.00 0.00 2 R 8.56 4.42 0.00 1.77 1.94 0.00 2.68 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 3 D 8.74 4.96 0.00 2.57 2.39 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 4 G 6.20 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 5.35 0.00 3.10 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 6 I 8.52 4.07 1.78 0.00 0.00 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 1.39 0.75 0.78 0.00 0.00 7 A 8.48 5.09 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 8 L 8.87 4.34 0.00 1.60 1.33 0.56 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.44 0.00 1.94 1.60 0.00 3.51 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 10 H 9.16 4.97 0.00 3.17 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.92 4.44 0.00 2.98 3.08 0.00 0.00 7.05 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 12 C 7.99 4.94 0.00 3.03 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 13 A 8.22 4.76 1.21 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 0.00 0.00 14 Y 8.56 4.53 0.00 2.96 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 15 G 8.82 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.79 5.43 0.00 3.21 3.27 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 0.00 17 L 8.93 4.50 0.00 1.67 1.76 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.99 5.12 0.00 2.82 2.90 0.00 0.00 7.16 6.92 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 19 N 8.93 4.49 0.00 2.85 2.99 0.00 0.00 7.15 7.66 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 20 E 8.27 3.98 0.00 2.12 2.06 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 2.44 2.47 0.00 21 Y 8.03 4.24 0.00 2.95 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 22 C 7.71 3.71 0.00 3.10 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 N 8.34 4.15 0.00 2.85 2.91 0.00 0.00 6.77 7.57 0.00 0.00 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 8.13 4.33 0.00 2.92 3.02 0.00 0.00 6.87 5.98 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 25 L 7.92 3.81 0.00 1.48 1.24 0.58 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.17 4.17 0.00 2.88 2.95 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 27 T 7.81 4.16 4.19 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 1.26 0.00 0.00 28 K 7.99 3.98 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.63 7.81 29 D 7.37 4.70 0.00 2.64 2.63 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 30 G 8.02 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 0.00 0.00 0.00 31 A 7.76 4.56 1.22 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 0.00 0.00 32 K 8.58 3.91 0.00 1.74 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 33 I 6.75 4.23 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.39 0.70 0.00 0.00 34 G 8.13 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 0.00 0.00 0.00 0.00 35 Y 8.84 5.10 0.00 3.04 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 36 C 9.06 4.94 0.00 3.23 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 37 N 9.15 5.24 0.00 3.02 3.06 0.00 0.00 6.52 8.54 0.00 0.00 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 I 8.73 4.21 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.54 0.89 0.00 0.00 39 V 8.07 4.27 2.06 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 0.79 0.00 0.00 0.89 0.00 0.00 40 G 8.11 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 0.00 0.00 0.00 41 K 7.36 4.48 0.00 1.71 1.62 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81 42 Y 8.48 4.30 0.00 2.95 2.73 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 43 G 9.04 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 5.73 0.00 2.86 2.82 0.00 0.00 6.45 7.54 0.00 0.00 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 A 9.09 5.01 1.13 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 46 C 9.21 4.96 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.48 5.12 0.00 3.27 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 48 C 8.55 5.10 0.00 2.59 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 4.68 1.81 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.95 0.00 0.00 50 Q 9.02 3.65 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 51 L 7.81 4.09 0.00 1.73 1.42 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.18 1.93 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 53 D 8.75 4.37 0.00 2.68 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 54 N 8.04 4.65 0.00 2.70 2.85 0.00 0.00 6.78 7.68 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 55 V 7.38 4.12 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 0.75 0.00 0.00 0.95 0.00 0.00 56 P 0.00 4.63 0.00 2.14 1.97 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 57 I 8.03 5.01 1.86 0.00 0.00 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 1.19 0.67 0.77 0.00 0.00 58 R 9.02 4.22 0.00 1.92 2.09 0.00 3.21 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 59 V 8.18 4.65 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 0.84 0.00 0.00 0.97 0.00 0.00 60 P 0.00 4.25 0.00 2.07 2.03 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 61 G 8.32 4.07 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 0.00 0.00 0.00 62 R 7.99 4.16 0.00 1.83 1.76 0.00 3.33 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 63 C 8.47 4.76 0.00 2.97 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 64 H 9.18 4.87 0.00 3.17 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.74 0.00 2.05 2.04 0.00 3.75 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 1.98 1.96 0.00 66 A 8.47 4.18 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