#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn0 s SER 2 N 0.00 -0.46 0.33 1.61 0.01 -1.26 -5.18 113.70 108.75 2dn0 s SER 2 Ca 0.00 0.47 0.10 0.00 1.31 0.00 0.00 55.95 57.82 2dn0 s SER 2 Cb 0.00 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.63 2dn0 s SER 2 CO 0.00 -0.53 -0.07 -0.55 0.41 0.00 0.00 173.24 172.50 2dn0 s SER 3 N -1.21 3.92 0.16 2.44 0.15 -1.26 -5.15 113.70 112.74 2dn0 s SER 3 Ca -0.12 -1.06 0.08 0.00 0.70 0.00 0.00 55.95 55.55 2dn0 s SER 3 Cb -0.02 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2dn0 s SER 3 CO 0.07 -0.16 -0.18 -0.83 1.20 0.00 0.00 173.24 173.34 2dn0 s GLY 4 N -3.64 1.37 0.31 9.45 0.00 -1.26 -5.11 107.32 108.44 2dn0 s GLY 4 Ca 0.33 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.30 2dn0 s GLY 4 CO 0.17 -1.50 1.36 -1.26 0.00 0.00 0.00 173.10 171.87 2dn0 n SER 5 N 0.38 2.89 -0.06 1.64 2.88 -1.26 -4.93 113.62 115.16 2dn0 n SER 5 Ca -0.14 1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 58.36 2dn0 n SER 5 Cb 0.57 -1.48 -0.13 0.00 -0.75 0.00 0.00 64.21 62.42 2dn0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn0 n SER 6 N 1.31 2.01 0.00 -3.46 7.64 -1.26 -4.98 113.62 114.88 2dn0 n SER 6 Ca 0.07 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2dn0 n SER 6 Cb 0.35 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2dn0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn0 n GLY 7 N 1.76 0.00 3.18 0.23 0.00 -1.26 -5.12 105.19 103.99 2dn0 n GLY 7 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2dn0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn0 s ALA 8 N 0.00 3.55 -0.38 4.61 0.00 -1.26 -4.91 121.76 123.37 2dn0 s ALA 8 Ca 0.00 -2.90 0.12 0.00 0.00 0.00 0.00 51.96 49.18 2dn0 s ALA 8 Cb 0.00 -2.85 0.44 0.00 0.00 0.00 0.00 23.12 20.71 2dn0 s ALA 8 CO 0.00 -2.02 1.01 0.45 0.00 0.00 0.00 175.76 175.20 2dn0 n SER 9 N 4.26 2.85 -4.88 0.00 2.88 -1.26 -5.09 113.62 112.38 2dn0 n SER 9 Ca 0.01 -3.16 -0.32 0.00 -1.33 0.00 0.00 58.87 54.07 2dn0 n SER 9 Cb 0.41 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 63.31 2dn0 n SER 9 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2dn0 s ILE 10 N -4.13 4.97 0.01 2.46 -4.36 -1.26 -5.08 121.20 113.81 2dn0 s ILE 10 Ca 0.37 0.41 -0.13 0.00 -0.26 0.00 0.00 60.65 61.03 2dn0 s ILE 10 Cb 0.43 -3.62 -0.06 0.00 1.25 0.00 0.00 42.46 40.46 2dn0 s ILE 10 CO -0.06 -0.03 0.39 -0.31 0.24 0.00 0.00 174.94 175.16 2dn0 s TYR 11 N -1.77 3.68 -0.20 1.37 2.02 -1.26 -5.00 117.35 116.20 2dn0 s TYR 11 Ca 0.46 0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 58.03 2dn0 s TYR 11 Cb -0.12 -2.23 -0.11 0.00 -0.40 0.00 0.00 41.96 39.10 2dn0 s TYR 11 CO 0.22 0.62 -0.21 1.17 -1.57 0.00 0.00 175.55 175.77 2dn0 n LYS 12 N 1.58 0.46 -4.27 -0.62 0.00 -1.26 -5.06 118.16 108.99 2dn0 n LYS 12 Ca -0.13 0.15 -0.15 0.00 0.00 0.00 0.00 58.31 58.18 2dn0 n LYS 12 Cb 0.52 -1.31 -0.10 0.00 0.00 0.00 0.00 35.03 34.14 2dn0 n LYS 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dn0 s ASN 13 N -6.30 0.94 0.92 3.14 2.20 -1.26 -5.15 114.94 109.43 2dn0 s ASN 13 Ca -0.27 -1.33 -0.11 0.00 -0.94 0.00 0.00 52.86 50.21 2dn0 s ASN 13 Cb 0.09 0.20 0.14 0.00 -2.00 0.00 0.00 41.25 39.68 2dn0 s ASN 13 CO 0.40 -0.72 1.10 -1.59 -2.94 0.00 0.00 177.10 173.36 2dn0 s LYS 14 N -4.04 1.05 0.00 3.55 0.00 -1.26 -5.00 119.74 114.05 2dn0 s LYS 14 Ca 0.35 1.20 0.00 0.00 0.00 0.00 0.00 55.97 57.52 2dn0 s LYS 14 Cb 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 36.15 2dn0 s LYS 14 CO 0.11 -2.49 0.00 1.63 0.00 0.00 0.00 175.35 174.59 2dn0 n LYS 15 N -4.10 0.00 -2.34 1.78 5.02 -1.26 -5.01 118.16 112.25 2dn0 n LYS 15 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2dn0 n LYS 15 Cb 0.53 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.80 2dn0 n LYS 15 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2dn0 n SER 16 N -2.56 -3.08 -3.61 4.39 7.64 -1.26 -0.42 113.62 114.73 2dn0 n SER 16 Ca 0.00 0.27 -0.21 0.00 1.01 0.00 0.00 58.87 59.93 2dn0 n SER 16 Cb 0.42 -2.69 0.06 0.00 -1.01 0.00 0.00 64.21 61.00 2dn0 n SER 16 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dn0 n HIS 17 N -3.00 -2.28 0.01 1.43 -0.00 -1.26 -4.92 115.22 105.19 2dn0 n HIS 17 Ca -0.11 0.92 -0.18 0.00 -0.00 0.00 0.00 57.72 58.36 2dn0 n HIS 17 Cb 0.55 -4.74 -0.14 0.00 -0.00 0.00 0.00 29.99 25.67 2dn0 n HIS 17 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2dn0 h GLU 18 N -2.09 0.20 0.00 -0.41 4.11 -1.14 -3.37 114.58 111.87 2dn0 h GLU 18 Ca -0.59 -0.33 -0.01 0.00 0.07 0.00 0.00 59.36 58.50 2dn0 h GLU 18 Cb 1.36 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 2dn0 h GLU 18 CO 0.55 1.16 -1.75 1.04 0.07 0.00 0.00 179.01 180.08 2dn0 n GLN 19 N -4.29 0.52 -0.24 1.06 6.02 -1.26 -4.51 117.38 114.68 2dn0 n GLN 19 Ca -0.13 -0.15 0.03 0.00 -0.01 0.00 0.00 57.00 56.75 2dn0 n GLN 19 Cb 0.71 -1.39 0.16 0.00 1.02 0.00 0.00 30.24 30.74 2dn0 n GLN 19 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dn0 h LEU 20 N 0.00 0.26 -0.47 1.08 6.46 -1.93 -1.98 115.31 118.73 2dn0 h LEU 20 Ca -0.01 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.94 2dn0 h LEU 20 Cb 0.78 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 40.69 2dn0 h LEU 20 CO 0.00 0.12 -0.33 -1.28 -0.62 0.00 0.00 178.44 176.33 2dn0 h SER 21 N 0.44 -1.10 -0.14 1.25 0.87 -1.79 -0.22 113.55 112.85 2dn0 h SER 21 Ca 0.38 0.20 0.05 0.00 -1.23 0.00 0.00 61.79 61.19 2dn0 h SER 21 Cb 0.54 0.53 -0.06 0.00 -0.44 0.00 0.00 62.40 62.98 2dn0 h SER 21 CO -0.37 -0.31 -0.22 0.00 -0.53 0.00 0.00 176.83 175.39 2dn0 h ALA 22 N 0.86 -0.17 -0.77 6.23 0.00 -1.65 -1.71 119.26 122.05 2dn0 h ALA 22 Ca 0.20 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2dn0 h ALA 22 Cb 0.54 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2dn0 h ALA 22 CO -0.59 -0.68 0.34 -0.07 0.00 0.00 0.00 179.25 178.25 2dn0 h LEU 23 N -0.27 0.37 0.12 0.00 3.38 -1.05 -2.12 115.31 115.73 2dn0 h LEU 23 Ca 0.10 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2dn0 h LEU 23 Cb 0.43 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2dn0 h LEU 23 CO -0.30 0.16 -0.30 0.11 0.09 0.00 0.00 178.44 178.19 2dn0 h LYS 24 N 0.51 -0.51 -0.86 1.13 1.57 -0.19 0.20 116.57 118.42 2dn0 h LYS 24 Ca 0.41 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.34 2dn0 h LYS 24 Cb 0.59 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 2dn0 h LYS 24 CO -0.37 -0.34 -0.40 0.41 -0.57 0.00 0.00 179.45 178.18 2dn0 n GLY 25 N -1.41 -1.96 0.06 3.86 0.00 -0.80 -1.12 105.19 103.82 2dn0 n GLY 25 Ca -0.07 0.99 -0.13 0.00 0.00 0.00 0.00 46.02 46.81 2dn0 n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dn0 h SER 26 N 0.00 0.00 -0.88 1.61 4.64 -1.49 -2.98 113.55 114.45 2dn0 h SER 26 Ca 0.24 -0.61 0.30 0.00 -0.47 0.00 0.00 61.79 61.25 2dn0 h SER 26 Cb 0.45 -0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.38 2dn0 h SER 26 CO -0.84 0.61 0.22 0.33 -0.87 0.00 0.00 176.83 176.28 2dn0 n PHE 27 N -4.80 0.77 -0.03 4.77 7.35 0.68 0.53 117.46 126.73 2dn0 n PHE 27 Ca -0.09 1.05 -0.13 0.00 -0.76 0.00 0.00 57.45 57.51 2dn0 n PHE 27 Cb 0.30 -1.29 -0.11 0.00 0.35 0.00 0.00 39.48 38.74 2dn0 n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dn0 n ARG 29 N -4.73 0.00 -3.69 0.00 0.63 0.19 -4.63 116.66 104.43 2dn0 n ARG 29 Ca -0.09 0.50 -0.37 0.00 -0.92 0.00 0.00 57.85 56.96 2dn0 n ARG 29 Cb 0.34 -1.30 -0.06 0.00 0.45 0.00 0.00 32.46 31.89 2dn0 n ARG 29 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dn0 s ASN 30 N -2.39 6.57 0.13 6.15 2.47 -0.33 -5.01 114.94 122.54 2dn0 s ASN 30 Ca 0.00 0.68 -0.25 0.00 0.42 0.00 0.00 52.86 53.72 2dn0 s ASN 30 Cb 0.00 -2.16 -0.02 0.00 -1.45 0.00 0.00 41.25 37.62 2dn0 s ASN 30 CO 0.00 0.34 1.63 1.56 -3.72 0.00 0.00 177.10 176.91 2dn0 h GLN 31 N 5.03 -0.34 -3.87 0.43 4.20 -1.82 -3.40 115.11 115.34 2dn0 h GLN 31 Ca -0.52 0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.00 2dn0 h GLN 31 Cb 1.22 0.08 -0.25 0.00 0.30 0.00 0.00 27.48 28.82 2dn0 h GLN 31 CO 0.61 -0.22 -0.71 -0.59 -0.67 0.00 0.00 178.83 177.24 2dn0 s PHE 32 N -6.05 0.13 0.63 2.96 -0.71 -1.26 -4.95 117.98 108.73 2dn0 s PHE 32 Ca -0.15 -0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 55.37 2dn0 s PHE 32 Cb 0.10 -0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.80 2dn0 s PHE 32 CO 0.67 -0.07 1.12 -1.25 -1.34 0.00 0.00 175.22 174.34 2dn0 s PRO 33 N -0.58 2.96 0.00 1.99 0.04 -1.26 -5.06 135.00 133.09 2dn0 s PRO 33 Ca -0.06 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2dn0 s PRO 33 Cb -0.04 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2dn0 s PRO 33 CO -0.00 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.31 2dn0 n GLY 34 N -0.32 2.07 0.10 0.56 0.00 -1.26 -4.92 105.19 101.41 2dn0 n GLY 34 Ca 0.11 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2dn0 n GLY 34 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dn0 n GLN 35 N 0.00 0.53 0.01 1.61 1.13 -1.26 -3.84 117.38 115.55 2dn0 n GLN 35 Ca 0.00 0.51 -0.04 0.00 -1.94 0.00 0.00 57.00 55.52 2dn0 n GLN 35 Cb 0.00 -1.68 0.17 0.00 0.11 0.00 0.00 30.24 28.84 2dn0 n GLN 35 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2dn0 h SER 36 N -1.00 0.50 0.00 1.08 0.87 -2.00 -3.14 113.55 109.86 2dn0 h SER 36 Ca -0.24 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2dn0 h SER 36 Cb 1.04 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2dn0 h SER 36 CO -0.15 0.79 0.00 1.21 -0.53 0.00 0.00 176.83 178.15 2dn0 n GLU 37 N -4.09 0.00 -0.34 2.24 4.07 -1.26 -2.68 120.64 118.57 2dn0 n GLU 37 Ca -0.01 0.48 -0.02 0.00 -0.06 0.00 0.00 57.16 57.56 2dn0 n GLU 37 Cb 0.44 -1.45 0.03 0.00 -0.06 0.00 0.00 31.44 30.40 2dn0 n GLU 37 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2dn0 n VAL 38 N -1.91 -0.48 -0.32 6.31 0.31 -1.25 0.14 118.33 121.13 2dn0 n VAL 38 Ca 0.00 2.09 0.21 0.00 -0.01 0.00 0.00 64.34 66.63 2dn0 n VAL 38 Cb 0.00 -2.75 0.43 0.00 -0.91 0.00 0.00 33.84 30.61 2dn0 n VAL 38 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2dn0 h GLU 39 N 0.00 0.25 -0.08 5.55 5.08 -1.52 0.32 114.58 124.18 2dn0 h GLU 39 Ca 0.30 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2dn0 h GLU 39 Cb 0.52 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dn0 h GLU 39 CO -0.88 0.17 -0.03 1.25 -1.00 0.00 0.00 179.01 178.51 2dn0 h HIS 40 N 0.26 0.18 0.50 4.33 2.76 0.15 -3.25 115.15 120.08 2dn0 h HIS 40 Ca 0.69 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.80 2dn0 h HIS 40 Cb 1.56 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.47 2dn0 h HIS 40 CO -0.09 0.52 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.73 2dn0 h LEU 41 N -0.21 -0.65 -1.18 0.26 3.38 0.01 -1.49 115.31 115.43 2dn0 h LEU 41 Ca 0.02 0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.44 2dn0 h LEU 41 Cb 0.48 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 2dn0 h LEU 41 CO 0.01 -0.44 0.74 0.35 0.09 0.00 0.00 178.44 179.19 2dn0 n THR 42 N -5.41 -0.25 0.01 0.22 -2.24 0.81 0.11 114.28 107.53 2dn0 n THR 42 Ca -0.12 1.64 -0.20 0.00 -2.27 0.00 0.00 64.05 63.10 2dn0 n THR 42 Cb 0.30 -2.68 -0.14 0.00 -2.10 0.00 0.00 70.33 65.71 2dn0 n THR 42 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2dn0 h LYS 43 N 0.00 0.23 -0.80 -0.78 1.57 -1.48 0.53 116.57 115.85 2dn0 h LYS 43 Ca 0.78 -0.40 0.13 0.00 -1.87 0.00 0.00 60.65 59.29 2dn0 h LYS 43 Cb 2.45 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 34.82 2dn0 h LYS 43 CO -0.46 1.19 0.40 0.28 -0.57 0.00 0.00 179.45 180.29 2dn0 h VAL 44 N -0.45 0.77 0.00 0.50 2.07 0.18 -3.27 116.25 116.04 2dn0 h VAL 44 Ca -0.19 -0.21 -0.34 0.00 0.82 0.00 0.00 66.70 66.78 2dn0 h VAL 44 Cb 1.60 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2dn0 h VAL 44 CO 0.08 0.11 -2.06 0.35 0.02 0.00 0.00 177.57 176.08 2dn0 n THR 45 N -4.87 1.52 0.00 2.57 -2.24 0.15 -5.03 114.28 106.38 2dn0 n THR 45 Ca 0.15 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2dn0 n THR 45 Cb 0.37 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 2dn0 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dn0 n GLY 46 N 1.32 0.65 3.81 3.38 0.00 0.19 -5.05 105.19 109.49 2dn0 n GLY 46 Ca -0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2dn0 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dn0 s LEU 47 N 0.00 3.72 0.36 0.99 1.43 -1.24 -4.97 118.68 118.97 2dn0 s LEU 47 Ca 0.00 1.82 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 2dn0 s LEU 47 Cb 0.00 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.55 2dn0 s LEU 47 CO 0.00 -0.84 0.87 -1.20 0.23 0.00 0.00 176.35 175.41 2dn0 n SER 48 N -1.34 0.61 -0.35 2.29 7.64 -1.26 -4.58 113.62 116.62 2dn0 n SER 48 Ca 0.09 1.06 0.24 0.00 1.01 0.00 0.00 58.87 61.27 2dn0 n SER 48 Cb 0.53 -1.25 0.50 0.00 -1.01 0.00 0.00 64.21 62.98 2dn0 n SER 48 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2dn0 h THR 49 N 1.50 0.40 -0.03 0.44 2.02 -1.95 0.74 112.91 116.03 2dn0 h THR 49 Ca -0.41 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.48 2dn0 h THR 49 Cb 1.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2dn0 h THR 49 CO 0.57 0.07 -0.75 -0.09 0.37 0.00 0.00 175.52 175.68 2dn0 h ARG 50 N 0.36 0.20 -0.11 6.66 2.43 -2.00 -2.76 114.38 119.17 2dn0 h ARG 50 Ca 0.68 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.55 2dn0 h ARG 50 Cb 1.67 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 2dn0 h ARG 50 CO -0.44 0.86 -0.45 0.93 -1.51 0.00 0.00 179.97 179.36 2dn0 h GLU 51 N 0.13 0.27 0.18 0.20 4.39 0.10 -1.54 114.58 118.31 2dn0 h GLU 51 Ca -0.03 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2dn0 h GLU 51 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2dn0 h GLU 51 CO 0.11 0.67 -0.08 0.28 -1.16 0.00 0.00 179.01 178.83 2dn0 h VAL 52 N 0.22 0.84 -0.74 3.13 2.07 -1.02 -2.99 116.25 117.76 2dn0 h VAL 52 Ca 0.02 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.50 2dn0 h VAL 52 Cb 0.89 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2dn0 h VAL 52 CO 0.07 0.21 0.47 0.03 0.02 0.00 0.00 177.57 178.37 2dn0 h ARG 53 N -0.84 0.90 0.08 1.57 3.08 -1.53 -2.94 114.38 114.70 2dn0 h ARG 53 Ca -0.02 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2dn0 h ARG 53 Cb 0.52 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 2dn0 h ARG 53 CO 0.04 0.60 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.89 2dn0 h LYS 54 N 0.93 -0.61 -0.83 0.04 1.63 -1.35 -2.74 116.57 113.63 2dn0 h LYS 54 Ca 0.29 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 2dn0 h LYS 54 Cb -0.01 0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.66 2dn0 h LYS 54 CO -0.10 -0.41 -0.49 1.87 -3.45 0.00 0.00 179.45 176.87 2dn0 n TRP 55 N -5.46 -0.37 -0.30 1.91 -0.00 -1.11 0.12 117.44 112.24 2dn0 n TRP 55 Ca -0.07 1.04 0.23 0.00 -0.00 0.00 0.00 57.50 58.71 2dn0 n TRP 55 Cb 0.38 -0.57 0.44 0.00 -0.00 0.00 0.00 31.31 31.56 2dn0 n TRP 55 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2dn0 n PHE 56 N -5.04 0.88 -0.23 5.87 3.01 -1.03 0.18 117.46 121.10 2dn0 n PHE 56 Ca 0.02 1.07 -0.02 0.00 1.01 0.00 0.00 57.45 59.52 2dn0 n PHE 56 Cb 0.22 -1.36 0.09 0.00 -0.01 0.00 0.00 39.48 38.41 2dn0 n PHE 56 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dn0 h SER 57 N 0.00 0.56 0.06 4.37 0.87 0.93 -1.63 113.55 118.72 2dn0 h SER 57 Ca 0.69 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.27 2dn0 h SER 57 Cb 1.70 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 2dn0 h SER 57 CO -0.75 0.37 -0.06 -0.78 -0.53 0.00 0.00 176.83 175.09 2dn0 h ASP 58 N 0.69 -0.16 -0.72 6.23 3.58 0.19 0.12 116.42 126.36 2dn0 h ASP 58 Ca 0.29 0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.89 2dn0 h ASP 58 Cb 0.15 0.05 -0.14 0.00 1.72 0.00 0.00 39.33 41.12 2dn0 h ASP 58 CO -0.16 -0.08 -0.24 0.03 -2.88 0.00 0.00 179.24 175.91 2dn0 h ARG 59 N -0.12 -0.04 0.21 0.28 2.47 -1.48 -1.09 114.38 114.61 2dn0 h ARG 59 Ca -0.01 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2dn0 h ARG 59 Cb 0.10 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.39 2dn0 h ARG 59 CO -0.01 -0.03 -0.43 0.00 0.56 0.00 0.00 179.97 180.06 2dn0 h ARG 60 N -0.04 -0.70 -1.16 0.04 3.08 -1.16 0.49 114.38 114.92 2dn0 h ARG 60 Ca 0.33 0.05 0.34 0.00 0.07 0.00 0.00 59.98 60.76 2dn0 h ARG 60 Cb 0.55 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2dn0 h ARG 60 CO -0.76 -0.47 0.83 -0.92 -1.07 0.00 0.00 179.97 177.59 2dn0 h TYR 61 N -0.73 0.03 0.16 3.04 3.20 0.46 0.36 116.97 123.49 2dn0 h TYR 61 Ca -0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 2dn0 h TYR 61 Cb 0.72 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 39.01 2dn0 h TYR 61 CO -0.33 0.00 -1.21 0.45 -1.64 0.00 0.00 178.16 175.43 2dn0 h HIS 62 N 0.02 0.91 -0.26 -3.82 3.86 -0.20 -3.33 115.15 112.32 2dn0 h HIS 62 Ca 0.56 -0.61 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2dn0 h HIS 62 Cb 2.20 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 30.60 2dn0 h HIS 62 CO -0.00 1.46 0.08 0.00 0.86 0.00 0.00 177.93 180.33 2dn0 s ARG 64 N -5.38 1.39 -1.15 0.00 1.70 -0.03 -3.44 118.95 112.05 2dn0 s ARG 64 Ca -0.14 1.27 -0.04 0.00 -0.47 0.00 0.00 55.73 56.36 2dn0 s ARG 64 Cb 0.08 -1.79 0.01 0.00 -0.57 0.00 0.00 34.95 32.68 2dn0 s ARG 64 CO 0.73 -2.28 0.08 0.09 -1.08 0.00 0.00 175.30 172.84 2dn0 n ASN 65 N -3.97 0.14 -3.95 -2.89 4.13 -1.26 -4.91 115.26 102.56 2dn0 n ASN 65 Ca 0.10 -0.99 -0.17 0.00 1.68 0.00 0.00 54.58 55.20 2dn0 n ASN 65 Cb 0.53 -1.22 -0.15 0.00 -1.54 0.00 0.00 39.78 37.40 2dn0 n ASN 65 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2dn0 s LEU 66 N -6.45 1.86 0.49 3.41 2.96 -1.22 -5.07 118.68 114.65 2dn0 s LEU 66 Ca 0.06 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 2dn0 s LEU 66 Cb -0.03 -0.31 -0.09 0.00 0.50 0.00 0.00 46.19 46.26 2dn0 s LEU 66 CO 0.76 0.04 0.98 -0.54 -1.32 0.00 0.00 176.35 176.27 2dn0 s LYS 67 N 0.09 4.02 0.00 1.98 -0.14 -1.26 -4.44 119.74 119.99 2dn0 s LYS 67 Ca -0.01 1.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 2dn0 s LYS 67 Cb -0.05 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 2dn0 s LYS 67 CO -0.00 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 174.79 2dn0 n GLY 68 N -1.23 0.65 3.43 -3.33 0.00 -1.26 -5.10 105.19 98.36 2dn0 n GLY 68 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 2dn0 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn0 s SER 69 N -2.82 0.64 0.09 1.61 0.01 -1.26 -5.17 113.70 106.79 2dn0 s SER 69 Ca 0.00 -1.38 0.10 0.00 1.31 0.00 0.00 55.95 55.98 2dn0 s SER 69 Cb 0.00 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 2dn0 s SER 69 CO 0.00 -1.15 -0.24 0.00 0.41 0.00 0.00 173.24 172.25 2dn0 s ARG 70 N -3.52 1.68 -0.21 12.44 3.03 -1.26 -5.12 118.95 126.00 2dn0 s ARG 70 Ca 0.32 -1.19 -0.06 0.00 2.03 0.00 0.00 55.73 56.82 2dn0 s ARG 70 Cb 0.01 -1.99 -0.03 0.00 -1.03 0.00 0.00 34.95 31.91 2dn0 s ARG 70 CO 0.17 0.49 0.03 0.45 -1.13 0.00 0.00 175.30 175.31 2dn0 s SER 71 N -1.69 5.07 -0.50 -2.89 0.15 -1.26 -5.03 113.70 107.56 2dn0 s SER 71 Ca 0.14 -0.14 0.07 0.00 0.70 0.00 0.00 55.95 56.71 2dn0 s SER 71 Cb -0.10 -1.88 0.19 0.00 -1.71 0.00 0.00 66.02 62.52 2dn0 s SER 71 CO 0.05 0.07 0.68 -0.83 1.20 0.00 0.00 173.24 174.41 2dn0 s GLY 72 N 0.99 -1.04 -0.56 9.45 0.00 -1.26 -5.10 107.32 109.80 2dn0 s GLY 72 Ca 0.03 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 2dn0 s GLY 72 CO 0.02 3.52 1.83 2.56 0.00 0.00 0.00 173.10 181.04 2dn0 s PRO 73 N 0.93 2.77 -0.21 2.90 0.04 -1.26 -4.97 135.00 135.19 2dn0 s PRO 73 Ca 0.28 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.93 2dn0 s PRO 73 Cb -0.00 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 2dn0 s PRO 73 CO -0.06 -2.55 0.31 0.45 0.04 0.00 0.00 177.00 175.18 2dn0 s SER 74 N 7.64 6.33 0.22 6.66 0.15 -1.26 -5.08 113.70 128.36 2dn0 s SER 74 Ca 0.69 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.82 2dn0 s SER 74 Cb -0.14 -2.19 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 2dn0 s SER 74 CO 0.23 -0.02 -0.21 -0.94 1.20 0.00 0.00 173.24 173.51 2dn0 s SER 75 N 1.01 3.29 0.00 5.45 1.04 -1.26 -5.23 113.70 117.99 2dn0 s SER 75 Ca 0.15 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2dn0 s SER 75 Cb -0.14 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2dn0 s SER 75 CO 0.06 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.93