NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3298 8.2649 123.5745 52.1969 19.6681 177.5424 3 K 4.3142 8.7130 116.4772 59.7759 33.5000 176.6532 4 H 3.9828 8.5536 122.6023 55.2641 32.8753 175.2441 5 P 4.4288 0.0000 0.0000 63.0990 31.3582 175.1121 6 V 4.4024 7.6744 117.8427 59.9056 33.6121 171.4944 7 P 4.4068 0.0000 0.0000 62.8298 31.2605 176.0507 8 K 4.1462 8.0848 118.9269 57.6914 32.7055 177.2133 9 K 4.6793 7.3383 118.3001 53.8248 35.5903 176.2506 10 K 4.0890 8.4554 121.7556 56.8952 32.7267 176.2230 11 T 4.5673 7.9676 113.2813 59.5520 70.4519 174.7112 12 S 4.1484 8.4697 118.7039 58.9558 63.2924 175.9662 13 K 4.1376 8.8369 124.2517 58.9166 31.9508 177.9485 14 S 4.5478 7.8640 110.7918 58.2515 62.6081 174.9249 15 K 4.1442 8.9874 121.5028 59.0205 32.0394 178.0612 16 R 3.8859 7.7783 118.1767 59.8953 30.0322 178.1187 17 D 4.4904 7.6577 116.0749 56.8523 40.7962 178.2552 18 M 4.2065 9.8859 118.7900 58.4247 31.9943 177.4038 19 R 3.9658 8.4609 119.9179 56.9234 29.9791 178.2632 20 R 3.2939 7.6932 118.8867 58.0024 31.1812 178.2379 21 S 4.5524 9.7730 111.6395 58.7719 62.2158 174.6788 22 H 4.9687 8.6622 115.7203 57.2645 30.2693 173.7041 23 H 4.8416 8.2965 113.6981 55.3190 29.2302 174.3247 24 A 4.1360 7.8427 123.8096 51.8698 18.6237 178.0704 25 L 4.1602 8.4142 123.6155 54.7952 42.3989 177.5173 26 T 4.2655 8.1466 112.3206 59.4064 68.1345 173.6765 27 A 3.9260 8.3748 129.9648 52.0880 18.9733 175.5468 28 P 4.4117 0.0000 0.0000 61.9366 32.3464 176.2900 29 N 4.4293 8.4829 119.0080 53.8064 37.6794 174.4100 30 L 4.4503 8.0444 124.8392 54.3076 42.8655 176.6832 31 T 4.7245 8.2657 116.8498 61.6547 72.5445 172.9404 32 E 4.3097 8.7762 126.6724 55.7912 30.5981 175.8372 33 C 4.3446 8.6135 127.6268 58.9207 32.3921 172.8038 34 P 4.3573 0.0000 0.0000 64.3651 33.1389 177.0978 35 Q 4.1070 8.0070 114.6566 55.7331 28.2863 176.9830 36 C 3.9957 9.2178 122.8869 59.8040 29.8239 174.0804 37 H 4.9429 8.1050 114.8208 55.5683 27.0037 174.6319 38 G 3.7818 7.6761 106.9648 45.6289 0.0000 173.5819 39 K 4.4600 8.8421 124.3662 57.1245 32.8363 176.4353 40 K 4.4901 9.8364 126.3148 55.1999 36.3760 175.1443 41 L 4.4302 8.0582 121.5553 53.3544 41.6085 174.3787 42 S 4.0037 7.9619 118.3844 59.3205 62.6430 174.0840 43 H 4.6124 9.3536 125.1022 55.8096 26.6601 174.0558 44 H 5.1398 8.4513 116.3334 54.1328 31.1536 172.7240 45 I 4.6659 8.1756 120.6126 60.0595 38.7091 173.7467 46 C 3.9390 8.3699 126.2924 58.6618 30.7444 172.4209 47 P 4.4541 0.0000 0.0000 64.4204 31.0225 177.1675 48 N 4.6640 8.0006 116.2210 55.7071 39.5125 176.1123 49 C 4.1419 8.0146 111.4700 60.1754 30.2811 174.6296 50 G 4.1548 8.7140 107.8886 45.2551 0.0000 172.7556 51 Y 5.1712 7.9919 116.5867 57.4000 39.0226 175.9971 52 Y 4.4688 8.1693 118.4095 58.4987 40.4050 173.5476 53 D 4.5702 7.7780 119.8518 54.2363 39.0344 175.8989 54 G 3.6552 7.4719 107.3859 44.4595 0.0000 171.3416 55 R 4.1956 7.7153 120.4195 54.3645 30.2998 176.7629 56 Q 4.0235 8.3687 123.2184 58.4745 29.2951 177.0373 57 V 3.8827 7.3117 117.0534 61.6974 32.2491 175.9023 58 L 3.7484 9.0384 126.6846 56.8996 42.0266 177.0583 59 A 4.2348 7.9588 124.9817 51.9231 18.6016 176.2272 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 2 A 8.26 4.33 0.97 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 3 K 8.71 4.31 0.00 1.81 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.55 7.81 4 H 8.55 3.98 0.00 3.20 2.61 0.00 5.75 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.43 0.00 2.08 1.99 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 6 V 7.67 4.40 2.09 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 0.66 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.41 0.00 2.20 2.10 0.00 3.76 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 1.99 1.99 0.00 8 K 8.08 4.15 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.40 7.81 9 K 7.34 4.68 0.00 1.70 1.68 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.46 4.09 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 7.97 4.57 4.24 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 1.26 0.00 0.00 12 S 8.47 4.15 0.00 3.96 3.85 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 13 K 8.84 4.14 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 S 7.86 4.55 0.00 3.81 3.85 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 15 K 8.99 4.14 0.00 1.91 1.90 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.47 7.81 16 R 7.78 3.89 0.00 1.87 2.04 0.00 3.39 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 D 7.66 4.49 0.00 2.73 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 18 M 9.89 4.21 0.00 1.98 2.20 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 2.56 3.04 0.00 19 R 8.46 3.97 0.00 1.89 1.94 0.00 3.15 0.00 0.00 3.18 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 20 R 7.69 3.29 0.00 1.83 1.79 0.00 3.16 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 21 S 9.77 4.55 0.00 3.84 3.84 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 0.00 0.00 0.00 0.00 22 H 8.66 4.97 0.00 3.12 3.29 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.30 4.84 0.00 3.17 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.84 4.14 1.26 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 0.00 0.00 25 L 8.41 4.16 0.00 1.64 1.62 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.15 4.27 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 1.22 0.00 0.00 27 A 8.37 3.93 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 28 P 0.00 4.41 0.00 2.19 2.06 0.00 3.77 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 1.98 1.94 0.00 29 N 8.48 4.43 0.00 2.71 2.83 0.00 0.00 7.06 7.78 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 30 L 8.04 4.45 0.00 1.67 1.57 0.92 0.86 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 31 T 8.27 4.72 4.24 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 1.20 0.00 0.00 32 E 8.78 4.31 0.00 1.99 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 2.38 2.47 0.00 33 C 8.61 4.34 0.00 3.12 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 34 P 0.00 4.36 0.00 2.04 2.05 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 35 Q 8.01 4.11 0.00 1.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.99 0.00 0.00 0.00 0.00 0.00 2.29 1.82 0.00 36 C 9.22 4.00 0.00 3.04 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 37 H 8.11 4.94 0.00 3.22 3.51 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.68 3.78 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 0.00 0.00 0.00 39 K 8.84 4.46 0.00 1.65 1.81 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 40 K 9.84 4.49 0.00 1.68 1.97 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 41 L 8.06 4.43 0.00 1.65 1.40 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.96 4.00 0.00 3.86 3.77 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 0.00 0.00 0.00 43 H 9.35 4.61 0.00 3.48 3.82 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.45 5.14 0.00 3.17 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.18 4.67 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 1.10 0.00 0.00 46 C 8.37 3.94 0.00 3.04 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 47 P 0.00 4.45 0.00 2.24 2.20 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 48 N 8.00 4.66 0.00 2.74 2.89 0.00 0.00 7.02 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 49 C 8.01 4.14 0.00 2.79 2.85 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 50 G 8.71 4.15 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 0.00 51 Y 7.99 5.17 0.00 3.04 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 52 Y 8.17 4.47 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.57 0.00 2.77 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 54 G 7.47 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 55 R 7.72 4.20 0.00 0.73 1.53 0.00 3.76 0.00 0.00 3.65 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 56 Q 8.37 4.02 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 57 V 7.31 3.88 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 0.77 0.00 0.00 0.94 0.00 0.00 58 L 9.04 3.75 0.00 1.66 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.96 4.23 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