#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 -7.97 0.11 6.12 7.64 -1.26 -5.00 113.62 113.26 1bnp n SER 2 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1bnp n SER 2 Cb 0.00 -5.37 0.00 0.00 -1.01 0.00 0.00 64.21 57.83 1bnp n SER 2 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnp n LYS 3 N 0.10 0.00 -1.08 1.43 5.02 -1.26 -4.95 118.16 117.42 1bnp n LYS 3 Ca 0.07 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1bnp n LYS 3 Cb 0.28 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.40 1bnp n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bnp n ARG 4 N -3.14 0.94 -3.45 1.97 1.74 -1.26 -5.00 116.66 108.46 1bnp n ARG 4 Ca 0.00 -2.76 -0.07 0.00 -0.77 0.00 0.00 57.85 54.25 1bnp n ARG 4 Cb 0.00 -0.92 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 1bnp n ARG 4 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1bnp s LYS 5 N -1.83 0.37 0.24 5.56 2.20 -1.26 -5.15 119.74 119.87 1bnp s LYS 5 Ca 0.36 0.79 -0.11 0.00 -0.36 0.00 0.00 55.97 56.66 1bnp s LYS 5 Cb 0.38 -0.04 -0.07 0.00 -1.51 0.00 0.00 37.83 36.59 1bnp s LYS 5 CO -0.11 -0.49 0.58 0.00 -0.36 0.00 0.00 175.35 174.97 1bnp s ALA 6 N 2.61 3.53 0.15 3.13 0.00 -1.26 -4.74 121.76 125.18 1bnp s ALA 6 Ca 0.08 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1bnp s ALA 6 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1bnp s ALA 6 CO -0.15 0.48 1.69 -1.00 0.00 0.00 0.00 175.76 176.78 1bnp h PRO 7 N 2.53 0.71 0.00 0.00 0.13 -2.03 -2.38 132.00 130.97 1bnp h PRO 7 Ca -0.47 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1bnp h PRO 7 Cb 1.17 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1bnp h PRO 7 CO 0.68 0.65 -0.07 -0.56 -0.23 0.00 0.00 178.00 178.48 1bnp h GLN 8 N 0.62 0.00 0.00 0.86 3.07 -2.07 -3.48 115.11 114.11 1bnp h GLN 8 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1bnp h GLN 8 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1bnp h GLN 8 CO -0.01 0.07 0.00 -1.91 0.09 0.00 0.00 178.83 177.07 1bnp n GLU 9 N -4.18 0.00 -3.26 0.06 4.07 -0.90 -4.48 120.64 111.95 1bnp n GLU 9 Ca -0.03 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.82 1bnp n GLU 9 Cb 0.15 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.46 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1bnp n THR 10 N -1.05 0.70 -2.17 6.31 -2.24 -1.26 -5.01 114.28 109.56 1bnp n THR 10 Ca 0.00 -4.60 -0.08 0.00 -2.27 0.00 0.00 64.05 57.10 1bnp n THR 10 Cb 0.00 -1.85 0.05 0.00 -2.10 0.00 0.00 70.33 66.42 1bnp n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bnp n LEU 11 N 1.02 0.00 -4.46 3.22 4.77 -1.26 -5.13 117.00 115.16 1bnp n LEU 11 Ca 0.25 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.31 1bnp n LEU 11 Cb 0.49 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1bnp n LEU 11 CO 0.28 -0.70 -0.17 0.20 -1.33 0.00 0.00 177.39 175.67 1bnp s ASN 12 N -2.44 2.54 0.00 -1.43 -0.87 -1.26 -5.03 114.94 106.45 1bnp s ASN 12 Ca 0.23 -1.72 0.00 0.00 -1.57 0.00 0.00 52.86 49.80 1bnp s ASN 12 Cb -0.01 0.56 0.00 0.00 -0.02 0.00 0.00 41.25 41.78 1bnp s ASN 12 CO 0.16 -0.99 0.00 0.61 -2.57 0.00 0.00 177.10 174.31 1bnp n GLY 13 N -0.85 -2.52 0.00 0.66 0.00 -1.26 -5.02 105.19 96.19 1bnp n GLY 13 Ca -0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1bnp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnp n GLY 14 N -0.24 1.91 0.00 -0.02 0.00 -1.26 -4.62 105.19 100.96 1bnp n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N 0.00 0.00 -0.09 -0.61 5.41 -1.26 -1.25 119.36 121.56 1bnp n ILE 15 Ca 0.00 0.71 0.09 0.00 1.00 0.00 0.00 62.75 64.55 1bnp n ILE 15 Cb 0.00 -1.41 0.45 0.00 -0.71 0.00 0.00 39.64 37.97 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N 0.00 0.97 0.17 1.39 1.03 -1.88 -0.72 112.91 113.87 1bnp h THR 16 Ca 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 66.41 66.21 1bnp h THR 16 Cb 0.00 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 67.49 1bnp h THR 16 CO 0.00 0.09 -0.08 0.44 -0.01 0.00 0.00 175.52 175.96 1bnp h ASP 17 N 0.52 -0.20 0.23 0.00 5.19 -1.97 -3.06 116.42 117.14 1bnp h ASP 17 Ca 0.26 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1bnp h ASP 17 Cb 0.35 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1bnp h ASP 17 CO -0.08 0.22 0.00 0.80 -3.12 0.00 0.00 179.24 177.06 1bnp n MET 18 N -4.60 0.13 0.05 3.56 1.56 -0.38 -1.62 117.12 115.83 1bnp n MET 18 Ca -0.03 0.54 -0.21 0.00 -0.27 0.00 0.00 57.70 57.74 1bnp n MET 18 Cb 0.09 -1.86 -0.15 0.00 2.15 0.00 0.00 33.22 33.46 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1bnp h LEU 19 N 0.00 0.48 -1.45 -0.89 4.07 -1.21 -3.12 115.31 113.19 1bnp h LEU 19 Ca 0.00 -0.93 -0.02 0.00 0.08 0.00 0.00 57.88 57.00 1bnp h LEU 19 Cb 0.12 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1bnp h LEU 19 CO 0.00 1.45 -0.10 0.58 -1.08 0.00 0.00 178.44 179.29 1bnp h VAL 20 N -0.33 0.29 -0.07 1.22 2.07 -1.28 -3.03 116.25 115.12 1bnp h VAL 20 Ca -0.18 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1bnp h VAL 20 Cb 1.70 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1bnp h VAL 20 CO 0.14 0.10 -0.09 -0.33 0.02 0.00 0.00 177.57 177.42 1bnp h GLU 21 N 0.00 0.17 -0.57 1.57 5.08 -1.31 -1.40 114.58 118.12 1bnp h GLU 21 Ca -0.00 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1bnp h GLU 21 Cb 0.56 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1bnp h GLU 21 CO 0.01 0.65 0.38 1.25 -1.00 0.00 0.00 179.01 180.30 1bnp h LEU 22 N -0.29 0.60 -0.82 1.33 6.46 -1.47 0.73 115.31 121.84 1bnp h LEU 22 Ca 0.01 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 1bnp h LEU 22 Cb 0.63 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1bnp h LEU 22 CO 0.02 0.42 -0.57 0.00 -0.62 0.00 0.00 178.44 177.69 1bnp h ALA 23 N 1.66 1.02 -0.01 1.25 0.00 -1.43 -2.39 119.26 119.36 1bnp h ALA 23 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bnp h ALA 23 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bnp h ALA 23 CO -0.06 0.71 0.00 -1.71 0.00 0.00 0.00 179.25 178.19 1bnp n ASN 24 N -3.88 0.28 -0.34 0.00 5.15 0.15 -4.09 115.26 112.54 1bnp n ASN 24 Ca -0.02 -1.19 0.19 0.00 -0.60 0.00 0.00 54.58 52.97 1bnp n ASN 24 Cb 0.58 -0.00 0.41 0.00 -0.53 0.00 0.00 39.78 40.23 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1bnp h PHE 25 N 0.43 0.96 -5.04 1.20 -1.00 -0.76 -3.44 116.94 109.29 1bnp h PHE 25 Ca 0.00 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.77 1bnp h PHE 25 Cb 0.09 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.37 1bnp h PHE 25 CO 0.00 -0.02 -0.07 -0.85 -1.61 0.00 0.00 178.31 175.76 1bnp n GLU 26 N -4.95 -2.85 0.07 1.51 0.28 -1.26 -4.39 120.64 109.05 1bnp n GLU 26 Ca 0.28 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1bnp n GLU 26 Cb 0.82 -4.56 0.00 0.00 1.43 0.00 0.00 31.44 29.13 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1bnp n LYS 27 N -2.60 0.00 0.07 3.44 3.00 -1.26 -4.72 118.16 116.09 1bnp n LYS 27 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1bnp n LYS 27 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.50 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1bnp h ASN 28 N 0.00 0.00 0.00 3.14 -0.73 -1.98 -3.35 115.58 112.66 1bnp h ASN 28 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1bnp h ASN 28 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.52 1bnp h ASN 28 CO 0.00 0.43 -0.52 0.52 -0.37 0.00 0.00 177.43 177.49 1bnp n VAL 29 N -2.92 1.63 -0.61 2.57 0.31 -1.26 -5.06 118.33 113.00 1bnp n VAL 29 Ca -0.05 -2.51 0.00 0.00 -0.01 0.00 0.00 64.34 61.77 1bnp n VAL 29 Cb 0.75 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bnp n SER 30 N -0.81 -0.38 0.00 4.52 2.88 -1.26 -4.59 113.62 113.99 1bnp n SER 30 Ca 0.15 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1bnp n SER 30 Cb 0.77 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1bnp n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1bnp n GLN 31 N -0.98 0.00 -3.89 -1.46 7.27 -1.26 -4.14 117.38 112.92 1bnp n GLN 31 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1bnp n GLN 31 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bnp s ALA 32 N -1.96 3.50 0.67 1.69 0.00 -1.26 -5.04 121.76 119.36 1bnp s ALA 32 Ca 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 51.96 48.52 1bnp s ALA 32 Cb 0.00 -2.27 0.09 0.00 0.00 0.00 0.00 23.12 20.93 1bnp s ALA 32 CO 0.00 -2.06 0.94 0.42 0.00 0.00 0.00 175.76 175.06 1bnp s ILE 33 N -0.55 2.33 -0.08 0.00 -1.09 -1.26 -5.01 121.20 115.55 1bnp s ILE 33 Ca 0.19 -0.52 -0.07 0.00 -2.23 0.00 0.00 60.65 58.02 1bnp s ILE 33 Cb -0.20 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1bnp s ILE 33 CO -0.04 0.00 0.26 0.45 -1.23 0.00 0.00 174.94 174.38 1bnp h HIS 34 N -0.40 -0.15 0.00 3.97 3.86 -1.98 -3.23 115.15 117.21 1bnp h HIS 34 Ca -0.40 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1bnp h HIS 34 Cb 1.29 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 1bnp h HIS 34 CO 0.05 -0.02 -0.06 0.87 0.86 0.00 0.00 177.93 179.62 1bnp h LYS 35 N -1.03 0.00 -0.12 2.45 1.57 -2.00 -2.71 116.57 114.73 1bnp h LYS 35 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1bnp h LYS 35 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1bnp h LYS 35 CO 0.03 0.06 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.92 1bnp h TYR 36 N 0.00 -0.32 0.00 -1.35 3.20 -1.89 -0.14 116.97 116.47 1bnp h TYR 36 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1bnp h TYR 36 Cb 0.19 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1bnp h TYR 36 CO 0.00 -0.19 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.34 1bnp h ASN 37 N -0.15 0.00 -0.27 -2.11 -0.26 -1.50 -2.69 115.58 108.59 1bnp h ASN 37 Ca 0.09 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1bnp h ASN 37 Cb 0.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 1bnp h ASN 37 CO -0.22 0.08 0.13 0.00 -1.06 0.00 0.00 177.43 176.36 1bnp h ALA 38 N 1.92 1.65 0.00 -0.83 0.00 -0.97 -2.24 119.26 118.80 1bnp h ALA 38 Ca -0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1bnp h ALA 38 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1bnp h ALA 38 CO 0.01 0.28 -1.29 1.88 0.00 0.00 0.00 179.25 180.13 1bnp h TYR 39 N 0.44 0.00 0.54 0.00 0.05 -1.36 -2.86 116.97 113.77 1bnp h TYR 39 Ca 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1bnp h TYR 39 Cb 0.08 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.82 1bnp h TYR 39 CO 0.00 0.82 -0.26 -0.09 -1.05 0.00 0.00 178.16 177.58 1bnp h ARG 40 N 0.00 -0.69 -0.42 4.88 9.65 -1.39 -2.40 114.38 124.00 1bnp h ARG 40 Ca -0.15 0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.67 1bnp h ARG 40 Cb 1.75 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 30.48 1bnp h ARG 40 CO 0.08 -0.46 -0.16 0.87 2.80 0.00 0.00 179.97 183.10 1bnp h LYS 41 N -1.15 0.79 0.74 0.20 1.57 -1.60 -3.00 116.57 114.13 1bnp h LYS 41 Ca -0.07 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1bnp h LYS 41 Cb 0.55 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1bnp h LYS 41 CO 0.12 0.90 -0.44 0.00 -0.57 0.00 0.00 179.45 179.46 1bnp h ALA 42 N 1.11 -1.14 -0.83 3.86 0.00 -1.58 -2.54 119.26 118.14 1bnp h ALA 42 Ca 0.11 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1bnp h ALA 42 Cb 0.66 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1bnp h ALA 42 CO 0.05 -1.16 0.56 0.00 0.00 0.00 0.00 179.25 178.70 1bnp h ALA 43 N -0.95 2.31 -0.70 0.00 0.00 -1.45 -0.56 119.26 117.92 1bnp h ALA 43 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 43 Cb 0.89 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1bnp h ALA 43 CO 0.11 -0.56 0.36 1.03 0.00 0.00 0.00 179.25 180.19 1bnp h SER 44 N 0.30 0.87 0.79 0.00 0.87 -1.31 -1.27 113.55 113.81 1bnp h SER 44 Ca 0.42 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 1bnp h SER 44 Cb 1.16 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1bnp h SER 44 CO -0.12 0.72 -1.29 0.55 -0.53 0.00 0.00 176.83 176.16 1bnp n VAL 45 N -4.35 1.03 0.85 2.23 3.14 -0.31 -3.88 118.33 117.04 1bnp n VAL 45 Ca 0.07 -0.65 0.12 0.00 -2.96 0.00 0.00 64.34 60.91 1bnp n VAL 45 Cb 0.11 -0.63 0.16 0.00 -1.06 0.00 0.00 33.84 32.42 1bnp n VAL 45 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1bnp n ILE 46 N -2.83 0.09 -0.02 1.55 -5.35 -0.64 -3.53 119.36 108.64 1bnp n ILE 46 Ca -0.07 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1bnp n ILE 46 Cb 0.76 0.25 -0.14 0.00 -1.74 0.00 0.00 39.64 38.77 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bnp n ALA 47 N -1.61 1.37 0.14 -1.28 0.00 -0.49 -3.91 120.51 114.72 1bnp n ALA 47 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 53.44 52.78 1bnp n ALA 47 Cb 0.37 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.02 1bnp n ALA 47 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bnp h LYS 48 N 0.01 0.00 -6.57 0.00 1.57 -1.71 -3.46 116.57 106.42 1bnp h LYS 48 Ca -0.31 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.02 1bnp h LYS 48 Cb 2.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.35 1bnp h LYS 48 CO 0.08 0.52 -0.18 1.52 -0.57 0.00 0.00 179.45 180.82 1bnp s TYR 49 N -2.96 3.19 0.50 -1.35 1.13 -1.23 -4.94 117.35 111.68 1bnp s TYR 49 Ca 0.04 0.08 0.26 0.00 -1.41 0.00 0.00 57.07 56.04 1bnp s TYR 49 Cb 0.08 -2.20 0.90 0.00 -1.10 0.00 0.00 41.96 39.64 1bnp s TYR 49 CO 0.75 -0.23 1.13 -2.30 -2.51 0.00 0.00 175.55 172.39 1bnp n PRO 50 N -1.92 0.01 0.00 -3.49 -0.02 -1.26 -4.87 135.00 123.45 1bnp n PRO 50 Ca 0.01 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1bnp n PRO 50 Cb 0.58 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1bnp n HIS 51 N -3.06 -0.59 -2.90 6.00 1.44 -1.25 -4.94 115.22 109.91 1bnp n HIS 51 Ca 0.23 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.93 1bnp n HIS 51 Cb 1.37 0.09 -0.01 0.00 0.12 0.00 0.00 29.99 31.57 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 52 N -0.14 -2.40 -4.37 -1.40 4.81 -1.26 -5.01 118.16 108.39 1bnp n LYS 52 Ca 0.00 2.07 -0.28 0.00 -0.87 0.00 0.00 58.31 59.23 1bnp n LYS 52 Cb 0.00 -3.25 -0.11 0.00 0.02 0.00 0.00 35.03 31.68 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1bnp s ILE 53 N -0.99 2.63 -0.15 3.15 -4.36 -1.26 -5.02 121.20 115.20 1bnp s ILE 53 Ca -0.06 -1.82 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 1bnp s ILE 53 Cb 0.00 -2.25 -0.24 0.00 1.25 0.00 0.00 42.46 41.22 1bnp s ILE 53 CO 0.42 -0.05 0.31 1.17 0.24 0.00 0.00 174.94 177.03 1bnp n LYS 54 N 0.37 0.70 0.00 0.37 4.81 -1.26 -4.78 118.16 118.37 1bnp n LYS 54 Ca -0.13 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1bnp n LYS 54 Cb 0.55 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bnp n SER 55 N -3.79 0.00 0.00 3.14 2.88 -1.26 -4.72 113.62 109.87 1bnp n SER 55 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1bnp n SER 55 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bnp n GLY 56 N 3.44 0.00 0.10 0.46 0.00 -1.26 -4.75 105.19 103.17 1bnp n GLY 56 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp n ALA 57 N 0.00 0.70 0.04 4.61 0.00 -1.26 -3.61 120.51 120.99 1bnp n ALA 57 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 1bnp n ALA 57 Cb 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 1bnp n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bnp h GLU 58 N -1.00 -0.04 -0.18 0.00 5.08 -1.97 -2.06 114.58 114.40 1bnp h GLU 58 Ca -0.26 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1bnp h GLU 58 Cb 1.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1bnp h GLU 58 CO -0.16 0.14 0.27 0.00 -1.00 0.00 0.00 179.01 178.26 1bnp h ALA 59 N 0.74 1.71 -0.23 3.43 0.00 -1.91 -0.02 119.26 122.99 1bnp h ALA 59 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1bnp h ALA 59 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bnp h ALA 59 CO 0.01 -0.36 -0.45 -0.22 0.00 0.00 0.00 179.25 178.22 1bnp h LYS 60 N 0.00 0.72 0.00 0.00 3.64 -1.44 -2.85 116.57 116.64 1bnp h LYS 60 Ca 0.09 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1bnp h LYS 60 Cb 0.62 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1bnp h LYS 60 CO -0.00 1.08 -0.01 1.57 -2.27 0.00 0.00 179.45 179.82 1bnp h LYS 61 N 0.44 0.00 -6.62 1.90 2.10 -0.82 -3.44 116.57 110.13 1bnp h LYS 61 Ca 0.01 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.11 1bnp h LYS 61 Cb 1.06 0.00 0.21 0.00 -0.90 0.00 0.00 32.23 32.59 1bnp h LYS 61 CO 0.10 0.01 -0.67 1.28 -2.00 0.00 0.00 179.45 178.17 1bnp n LEU 62 N -3.74 -0.59 0.39 7.07 4.77 -1.08 -4.92 117.00 118.91 1bnp n LEU 62 Ca -0.03 0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 56.22 1bnp n LEU 62 Cb 0.10 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 39.97 1bnp n LEU 62 CO 0.27 -3.75 0.53 -0.65 -1.33 0.00 0.00 177.39 172.46 1bnp h PRO 63 N -0.99 -0.95 -2.18 3.23 0.11 -1.88 -3.40 132.00 125.93 1bnp h PRO 63 Ca -0.44 0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.16 1bnp h PRO 63 Cb 1.31 0.22 -0.39 0.00 0.11 0.00 0.00 31.00 32.25 1bnp h PRO 63 CO 0.36 -0.63 -1.02 0.41 -0.21 0.00 0.00 178.00 176.91 1bnp n GLY 64 N -1.48 2.71 2.53 -0.55 0.00 -1.26 -4.97 105.19 102.16 1bnp n GLY 64 Ca -0.12 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1bnp n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bnp n VAL 65 N 1.95 -0.25 -3.92 1.61 0.31 -1.26 -4.72 118.33 112.06 1bnp n VAL 65 Ca 0.25 -2.53 -0.01 0.00 -0.01 0.00 0.00 64.34 62.04 1bnp n VAL 65 Cb 0.50 0.21 0.02 0.00 -0.91 0.00 0.00 33.84 33.65 1bnp n VAL 65 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bnp s GLY 66 N -1.52 0.02 -1.14 2.92 0.00 -1.26 -4.37 107.32 101.97 1bnp s GLY 66 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1bnp s GLY 66 CO -0.18 3.59 0.00 -1.30 0.00 0.00 0.00 173.10 175.21 1bnp n THR 67 N -0.77 -0.27 0.00 0.90 -2.24 -1.26 -3.99 114.28 106.65 1bnp n THR 67 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1bnp n THR 67 Cb 0.59 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bnp n LYS 68 N -2.27 0.00 0.15 -0.78 4.81 -1.26 -4.94 118.16 113.87 1bnp n LYS 68 Ca -0.13 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.34 1bnp n LYS 68 Cb 0.49 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.67 1bnp n LYS 68 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1bnp h ILE 69 N 0.00 0.94 -0.07 3.15 -0.00 -1.90 -3.15 117.51 116.49 1bnp h ILE 69 Ca 0.00 -2.07 0.02 0.00 -0.00 0.00 0.00 64.86 62.81 1bnp h ILE 69 Cb 0.00 2.28 -0.00 0.00 -0.00 0.00 0.00 36.82 39.10 1bnp h ILE 69 CO 0.00 0.49 0.18 0.00 -0.00 0.00 0.00 178.15 178.82 1bnp h ALA 70 N 1.50 1.40 -0.21 0.18 0.00 -1.79 -1.60 119.26 118.74 1bnp h ALA 70 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bnp h ALA 70 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1bnp h ALA 70 CO 0.06 -0.21 0.10 0.93 0.00 0.00 0.00 179.25 180.13 1bnp h GLU 71 N 0.00 0.30 -0.53 0.00 5.08 -1.94 -1.01 114.58 116.48 1bnp h GLU 71 Ca 0.03 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1bnp h GLU 71 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1bnp h GLU 71 CO -0.00 0.34 -0.07 0.87 -1.00 0.00 0.00 179.01 179.14 1bnp h LYS 72 N 0.20 0.99 0.00 2.33 6.56 -1.52 -1.44 116.57 123.69 1bnp h LYS 72 Ca 0.07 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.30 1bnp h LYS 72 Cb 0.14 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1bnp h LYS 72 CO -0.01 1.03 -0.03 0.82 -2.06 0.00 0.00 179.45 179.20 1bnp h ILE 73 N 0.86 0.53 0.00 1.86 2.04 -1.28 -0.29 117.51 121.24 1bnp h ILE 73 Ca 0.14 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 1bnp h ILE 73 Cb 0.63 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1bnp h ILE 73 CO 0.04 0.03 -1.09 -0.78 0.00 0.00 0.00 178.15 176.35 1bnp h ASP 74 N 0.00 0.00 -0.78 1.72 1.82 -0.52 -2.99 116.42 115.68 1bnp h ASP 74 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1bnp h ASP 74 Cb 0.09 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 1bnp h ASP 74 CO 0.00 0.61 0.51 -0.08 -1.61 0.00 0.00 179.24 178.68 1bnp h GLU 75 N 0.00 1.02 0.06 0.28 4.22 -0.01 0.88 114.58 121.03 1bnp h GLU 75 Ca -0.10 -0.06 -0.27 0.00 0.08 0.00 0.00 59.36 59.00 1bnp h GLU 75 Cb 1.56 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1bnp h GLU 75 CO 0.06 0.67 -1.41 0.74 -2.18 0.00 0.00 179.01 176.89 1bnp h PHE 76 N 1.05 0.23 -0.36 0.92 0.04 -1.66 -3.28 116.94 113.88 1bnp h PHE 76 Ca 0.29 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1bnp h PHE 76 Cb -0.11 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1bnp h PHE 76 CO -0.02 1.20 0.00 1.28 -0.60 0.00 0.00 178.31 180.17 1bnp n LEU 77 N -3.34 1.99 -1.03 1.54 7.99 -1.04 -3.96 117.00 119.14 1bnp n LEU 77 Ca -0.12 -0.98 0.05 0.00 -0.01 0.00 0.00 56.01 54.95 1bnp n LEU 77 Cb 1.02 -0.24 0.21 0.00 -0.11 0.00 0.00 43.42 44.29 1bnp n LEU 77 CO 0.48 0.49 0.63 0.00 -1.51 0.00 0.00 177.39 177.49 1bnp n ALA 78 N 0.58 2.85 -1.05 -1.18 0.00 0.30 -4.20 120.51 117.82 1bnp n ALA 78 Ca 0.13 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 52.41 1bnp n ALA 78 Cb 0.32 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.88 1bnp n ALA 78 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1bnp n THR 79 N 0.55 3.12 -2.06 0.00 5.66 -1.25 -4.17 114.28 116.12 1bnp n THR 79 Ca 0.15 -2.03 0.04 0.00 -3.05 0.00 0.00 64.05 59.17 1bnp n THR 79 Cb 0.57 -0.78 0.08 0.00 -1.55 0.00 0.00 70.33 68.65 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N -0.83 2.38 2.88 1.09 0.00 -1.26 -4.96 105.19 104.49 1bnp n GLY 80 Ca 0.54 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1bnp n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnp s LYS 81 N -1.12 0.35 0.49 1.61 -2.85 -1.26 -5.09 119.74 111.86 1bnp s LYS 81 Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1bnp s LYS 81 Cb 0.32 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.68 1bnp s LYS 81 CO -0.10 -0.02 0.00 1.28 0.10 0.00 0.00 175.35 176.61 1bnp n LEU 82 N 3.53 -0.88 0.00 2.77 4.32 -1.26 -4.97 117.00 120.51 1bnp n LEU 82 Ca -0.20 2.02 -0.10 0.00 -0.02 0.00 0.00 56.01 57.71 1bnp n LEU 82 Cb 0.55 -4.73 -0.01 0.00 -1.62 0.00 0.00 43.42 37.61 1bnp n LEU 82 CO 0.24 -3.06 -0.02 -2.11 -1.22 0.00 0.00 177.39 171.22 1bnp n ARG 83 N -4.32 1.34 -0.60 3.23 1.85 -1.26 -5.12 116.66 111.79 1bnp n ARG 83 Ca -0.04 -1.26 -0.11 0.00 -1.00 0.00 0.00 57.85 55.44 1bnp n ARG 83 Cb 0.69 0.22 0.08 0.00 -1.05 0.00 0.00 32.46 32.39 1bnp n ARG 83 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1bnp n LYS 84 N -0.76 -0.85 0.05 2.89 2.85 -1.26 -5.04 118.16 116.04 1bnp n LYS 84 Ca -0.03 -0.71 0.00 0.00 -1.05 0.00 0.00 58.31 56.52 1bnp n LYS 84 Cb 0.23 -0.52 0.00 0.00 -0.65 0.00 0.00 35.03 34.08 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 85 N 0.00 -0.54 0.00 -5.58 4.77 -1.26 -5.12 117.00 109.27 1bnp n LEU 85 Ca 0.06 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1bnp n LEU 85 Cb 0.21 0.69 0.12 0.00 -2.33 0.00 0.00 43.42 42.11 1bnp n LEU 85 CO 0.15 -0.45 0.27 -0.62 -1.33 0.00 0.00 177.39 175.41 1bnp n GLU 86 N -2.78 -2.11 0.00 3.23 1.02 -1.26 -5.33 120.64 113.40 1bnp n GLU 86 Ca 0.00 -0.80 0.11 0.00 -0.02 0.00 0.00 57.16 56.46 1bnp n GLU 86 Cb 0.00 -0.77 0.10 0.00 -0.02 0.00 0.00 31.44 30.75 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94