#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 0.00 -2.32 6.12 7.64 -1.26 -5.03 113.62 118.77 1bnp n SER 2 Ca 0.00 0.63 -0.00 0.00 1.01 0.00 0.00 58.87 60.51 1bnp n SER 2 Cb 0.00 -0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.89 -5.06 -1.33 1.43 5.02 -1.26 -4.82 118.16 110.24 1bnp n LYS 3 Ca 0.00 3.69 0.11 0.00 -2.02 0.00 0.00 58.31 60.09 1bnp n LYS 3 Cb 0.00 -4.64 -0.06 0.00 -0.02 0.00 0.00 35.03 30.31 1bnp n LYS 3 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bnp n ARG 4 N 1.78 -3.22 -0.01 1.97 0.63 -1.26 -4.70 116.66 111.86 1bnp n ARG 4 Ca -0.01 2.59 -0.17 0.00 -0.92 0.00 0.00 57.85 59.35 1bnp n ARG 4 Cb 0.02 -3.55 -0.11 0.00 0.45 0.00 0.00 32.46 29.26 1bnp n ARG 4 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1bnp h LYS 5 N -0.89 0.34 -7.16 -0.14 1.57 -2.04 -3.45 116.57 104.80 1bnp h LYS 5 Ca -0.13 -0.36 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 1bnp h LYS 5 Cb 1.15 0.10 0.13 0.00 0.08 0.00 0.00 32.23 33.69 1bnp h LYS 5 CO 0.05 1.04 0.41 0.00 -0.57 0.00 0.00 179.45 180.39 1bnp s ALA 6 N -3.21 2.32 1.07 3.86 0.00 -1.26 -4.98 121.76 119.56 1bnp s ALA 6 Ca -0.14 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 1bnp s ALA 6 Cb 0.03 -3.43 0.23 0.00 0.00 0.00 0.00 23.12 19.95 1bnp s ALA 6 CO 0.80 -1.53 1.07 -1.25 0.00 0.00 0.00 175.76 174.85 1bnp s PRO 7 N -3.77 -0.16 -0.12 0.00 0.04 -1.26 -4.97 135.00 124.75 1bnp s PRO 7 Ca 0.74 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 1bnp s PRO 7 Cb -0.28 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1bnp s PRO 7 CO 0.41 -3.28 -0.15 1.96 0.04 0.00 0.00 177.00 175.98 1bnp h GLN 8 N -2.31 0.00 -7.28 4.56 4.20 -1.88 -3.48 115.11 108.92 1bnp h GLN 8 Ca -0.55 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 57.75 1bnp h GLN 8 Cb 1.31 0.00 0.20 0.00 0.30 0.00 0.00 27.48 29.29 1bnp h GLN 8 CO 0.48 0.00 0.07 -1.21 -0.67 0.00 0.00 178.83 177.49 1bnp s GLU 9 N -2.08 -1.44 0.92 1.46 2.02 -1.26 -4.99 118.70 113.33 1bnp s GLU 9 Ca -0.13 0.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 1bnp s GLU 9 Cb 0.02 -1.55 0.14 0.00 0.10 0.00 0.00 34.13 32.84 1bnp s GLU 9 CO 0.19 -3.90 1.09 0.95 0.02 0.00 0.00 175.26 173.61 1bnp s THR 10 N -2.77 2.56 0.19 3.63 -4.23 -1.26 -5.04 115.64 108.72 1bnp s THR 10 Ca 0.69 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.36 1bnp s THR 10 Cb -0.13 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1bnp s THR 10 CO 0.57 -0.24 0.26 -0.11 -0.54 0.00 0.00 174.62 174.56 1bnp n LEU 11 N -4.00 0.00 -4.85 4.79 7.94 -1.26 -5.05 117.00 114.57 1bnp n LEU 11 Ca 0.07 -0.32 -0.35 0.00 -1.11 0.00 0.00 56.01 54.30 1bnp n LEU 11 Cb 0.55 -0.19 -0.06 0.00 0.53 0.00 0.00 43.42 44.25 1bnp n LEU 11 CO 0.55 -0.68 0.15 0.54 -1.11 0.00 0.00 177.39 176.84 1bnp s ASN 12 N -1.96 6.75 0.00 1.96 2.20 -1.26 -4.82 114.94 117.81 1bnp s ASN 12 Ca 0.15 0.94 0.23 0.00 -0.94 0.00 0.00 52.86 53.24 1bnp s ASN 12 Cb -0.00 -2.24 1.15 0.00 -2.00 0.00 0.00 41.25 38.16 1bnp s ASN 12 CO 0.10 0.17 1.74 0.61 -2.94 0.00 0.00 177.10 176.78 1bnp n GLY 13 N 1.02 -1.02 0.00 0.45 0.00 -1.26 -4.79 105.19 99.58 1bnp n GLY 13 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.63 1.25 0.03 -0.02 0.00 -1.26 -4.71 105.19 101.11 1bnp n GLY 14 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1bnp n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bnp h ILE 15 N 0.00 0.00 0.00 -0.61 2.04 -1.94 -2.68 117.51 114.32 1bnp h ILE 15 Ca 0.00 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1bnp h ILE 15 Cb 0.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1bnp h ILE 15 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 1bnp h THR 16 N -0.61 0.93 0.22 -0.27 1.03 -1.93 -0.09 112.91 112.19 1bnp h THR 16 Ca 0.00 -0.55 -0.01 0.00 -0.01 0.00 0.00 66.41 65.84 1bnp h THR 16 Cb 0.06 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1bnp h THR 16 CO 0.00 0.15 -0.11 -0.78 -0.01 0.00 0.00 175.52 174.77 1bnp h ASP 17 N 0.00 -0.25 0.59 0.00 3.58 -1.98 -2.25 116.42 116.11 1bnp h ASP 17 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1bnp h ASP 17 Cb 0.30 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1bnp h ASP 17 CO 0.02 0.26 0.00 0.23 -2.88 0.00 0.00 179.24 176.87 1bnp n MET 18 N -4.98 0.04 0.08 0.28 2.81 -1.01 -2.09 117.12 112.25 1bnp n MET 18 Ca -0.07 0.27 -0.23 0.00 -1.81 0.00 0.00 57.70 55.85 1bnp n MET 18 Cb 0.25 -1.58 -0.15 0.00 -0.71 0.00 0.00 33.22 31.03 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bnp h LEU 19 N 0.00 0.66 -1.04 4.03 3.38 -0.98 -2.98 115.31 118.38 1bnp h LEU 19 Ca 0.00 -0.94 -0.10 0.00 0.09 0.00 0.00 57.88 56.93 1bnp h LEU 19 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1bnp h LEU 19 CO 0.00 1.79 -0.46 0.58 0.09 0.00 0.00 178.44 180.44 1bnp h VAL 20 N 0.11 1.33 -0.29 1.22 2.07 -1.12 -2.36 116.25 117.21 1bnp h VAL 20 Ca -0.34 -1.58 -0.12 0.00 0.82 0.00 0.00 66.70 65.48 1bnp h VAL 20 Cb 2.11 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 1bnp h VAL 20 CO 0.19 0.46 -0.31 -0.08 0.02 0.00 0.00 177.57 177.85 1bnp h GLU 21 N 0.05 0.60 -0.74 1.57 4.81 -1.49 -1.12 114.58 118.27 1bnp h GLU 21 Ca 0.00 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1bnp h GLU 21 Cb 0.83 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.12 1bnp h GLU 21 CO 0.06 0.84 0.39 1.25 -0.73 0.00 0.00 179.01 180.82 1bnp h LEU 22 N 0.52 0.54 -0.70 1.64 7.12 -1.26 0.15 115.31 123.32 1bnp h LEU 22 Ca 0.06 0.05 -0.10 0.00 0.13 0.00 0.00 57.88 58.03 1bnp h LEU 22 Cb 0.78 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1bnp h LEU 22 CO 0.06 0.31 -0.47 0.00 -0.13 0.00 0.00 178.44 178.22 1bnp h ALA 23 N 1.42 0.90 0.00 1.25 0.00 -1.35 -2.90 119.26 118.58 1bnp h ALA 23 Ca 0.35 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 23 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnp h ALA 23 CO -0.25 0.59 0.00 -0.97 0.00 0.00 0.00 179.25 178.62 1bnp h ASN 24 N 0.00 0.00 -1.14 0.00 -0.00 0.59 -3.15 115.58 111.87 1bnp h ASN 24 Ca -0.00 0.00 0.39 0.00 -0.00 0.00 0.00 56.30 56.69 1bnp h ASN 24 Cb 1.06 0.00 -0.11 0.00 -0.00 0.00 0.00 38.32 39.27 1bnp h ASN 24 CO 0.06 0.00 0.74 0.49 -0.00 0.00 0.00 177.43 178.72 1bnp n PHE 25 N -2.92 0.55 -1.70 0.67 3.01 -1.08 -4.71 117.46 111.28 1bnp n PHE 25 Ca -0.02 0.56 -0.16 0.00 1.01 0.00 0.00 57.45 58.84 1bnp n PHE 25 Cb 0.08 -0.97 -0.05 0.00 -0.01 0.00 0.00 39.48 38.52 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bnp n GLU 26 N -4.30 -1.51 0.01 -1.08 2.13 -1.19 -4.53 120.64 110.16 1bnp n GLU 26 Ca 0.33 0.89 0.00 0.00 0.66 0.00 0.00 57.16 59.04 1bnp n GLU 26 Cb 1.29 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 27.74 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bnp n LYS 27 N -2.26 0.00 -0.08 5.31 5.02 -1.26 -4.81 118.16 120.08 1bnp n LYS 27 Ca -0.17 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1bnp n LYS 27 Cb 0.55 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.89 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bnp n ASN 28 N -2.55 1.31 -2.71 4.39 2.85 -1.26 -4.07 115.26 113.22 1bnp n ASN 28 Ca 0.00 -1.74 -0.04 0.00 -0.11 0.00 0.00 54.58 52.69 1bnp n ASN 28 Cb 0.00 -0.11 0.09 0.00 1.24 0.00 0.00 39.78 41.01 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1bnp n VAL 29 N 0.12 0.43 0.00 3.44 0.31 -1.26 -4.74 118.33 116.63 1bnp n VAL 29 Ca 0.14 -1.88 0.00 0.00 -0.01 0.00 0.00 64.34 62.59 1bnp n VAL 29 Cb 0.25 1.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 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 -0.85 0.00 0.11 4.52 2.88 -1.26 -4.38 113.62 114.66 1bnp n SER 30 Ca -0.04 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1bnp n SER 30 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnp n GLN 31 N -0.14 0.00 -1.60 -1.46 6.02 -1.26 -4.88 117.38 114.06 1bnp n GLN 31 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1bnp n GLN 31 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bnp n ALA 32 N -3.15 6.36 -2.45 -1.58 0.00 -1.26 -4.80 120.51 113.63 1bnp n ALA 32 Ca 0.00 -3.43 -0.28 0.00 0.00 0.00 0.00 53.44 49.72 1bnp n ALA 32 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1bnp n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bnp s ILE 33 N -3.76 4.98 0.20 0.00 -1.09 -1.26 -4.99 121.20 115.28 1bnp s ILE 33 Ca 0.54 0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1bnp s ILE 33 Cb 0.41 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1bnp s ILE 33 CO -0.26 -0.41 1.63 1.12 -1.23 0.00 0.00 174.94 175.78 1bnp h HIS 34 N 1.43 1.00 -0.01 3.97 2.07 -1.93 -2.73 115.15 118.95 1bnp h HIS 34 Ca -0.48 -0.21 0.00 0.00 -2.85 0.00 0.00 60.37 56.83 1bnp h HIS 34 Cb 1.19 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1bnp h HIS 34 CO 0.58 0.98 -0.25 1.17 -3.07 0.00 0.00 177.93 177.33 1bnp n LYS 35 N -4.14 1.09 0.19 5.12 4.81 -1.26 -4.02 118.16 119.96 1bnp n LYS 35 Ca 0.01 -0.72 0.05 0.00 -0.87 0.00 0.00 58.31 56.78 1bnp n LYS 35 Cb 0.41 -1.49 0.39 0.00 0.02 0.00 0.00 35.03 34.36 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1bnp h TYR 36 N 1.76 0.00 0.00 5.64 5.03 -1.77 -2.35 116.97 125.28 1bnp h TYR 36 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1bnp h TYR 36 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1bnp h TYR 36 CO 0.00 0.36 0.00 -1.71 -1.32 0.00 0.00 178.16 175.49 1bnp n ASN 37 N -3.79 0.32 -0.00 -2.11 4.05 -1.25 -2.43 115.26 110.05 1bnp n ASN 37 Ca -0.01 0.57 -0.18 0.00 0.45 0.00 0.00 54.58 55.40 1bnp n ASN 37 Cb 0.44 -0.64 -0.08 0.00 1.23 0.00 0.00 39.78 40.73 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1bnp h ALA 38 N 2.48 0.23 0.00 5.20 0.00 -1.68 -2.36 119.26 123.15 1bnp h ALA 38 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1bnp h ALA 38 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bnp h ALA 38 CO 0.00 0.65 -1.10 0.66 0.00 0.00 0.00 179.25 179.46 1bnp n TYR 39 N -3.95 0.85 0.12 0.00 4.01 -1.18 -2.42 117.16 114.60 1bnp n TYR 39 Ca -0.09 0.25 -0.24 0.00 -0.16 0.00 0.00 57.90 57.66 1bnp n TYR 39 Cb 0.78 -0.90 -0.16 0.00 -0.31 0.00 0.00 39.34 38.75 1bnp n TYR 39 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1bnp h ARG 40 N 0.00 0.49 0.03 -0.72 9.65 -1.55 -1.94 114.38 120.34 1bnp h ARG 40 Ca 0.00 -0.84 -0.18 0.00 -1.10 0.00 0.00 59.98 57.86 1bnp h ARG 40 Cb 0.99 0.31 0.02 0.00 -1.39 0.00 0.00 29.97 29.90 1bnp h ARG 40 CO 0.00 1.40 -0.72 -0.22 2.80 0.00 0.00 179.97 183.22 1bnp h LYS 41 N 0.13 0.43 -0.19 0.20 3.64 -1.56 -2.65 116.57 116.57 1bnp h LYS 41 Ca -0.28 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.57 1bnp h LYS 41 Cb 2.15 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 34.12 1bnp h LYS 41 CO 0.25 1.17 0.05 0.00 -2.27 0.00 0.00 179.45 178.64 1bnp h ALA 42 N 0.28 0.25 0.00 5.00 0.00 -1.61 -2.14 119.26 121.04 1bnp h ALA 42 Ca -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bnp h ALA 42 Cb 1.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bnp h ALA 42 CO 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.25 1bnp h ALA 43 N 0.86 1.36 -0.06 0.00 0.00 -1.43 0.31 119.26 120.31 1bnp h ALA 43 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 43 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bnp h ALA 43 CO -0.00 0.03 -0.07 0.77 0.00 0.00 0.00 179.25 179.98 1bnp h SER 44 N 0.00 0.16 0.09 0.00 0.02 -1.01 -2.34 113.55 110.48 1bnp h SER 44 Ca -0.00 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1bnp h SER 44 Cb 0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1bnp h SER 44 CO 0.00 0.64 -0.09 0.55 -1.14 0.00 0.00 176.83 176.79 1bnp n VAL 45 N -4.72 0.00 -0.09 2.27 3.14 -0.92 -3.87 118.33 114.15 1bnp n VAL 45 Ca -0.08 -0.18 -0.12 0.00 -2.96 0.00 0.00 64.34 61.00 1bnp n VAL 45 Cb 0.31 0.36 -0.05 0.00 -1.06 0.00 0.00 33.84 33.40 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1bnp n ILE 46 N -0.24 1.47 0.04 1.55 2.08 0.11 -3.47 119.36 120.90 1bnp n ILE 46 Ca 0.17 0.09 0.12 0.00 0.56 0.00 0.00 62.75 63.69 1bnp n ILE 46 Cb 0.33 -2.26 0.57 0.00 -0.75 0.00 0.00 39.64 37.54 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp h ALA 47 N -0.88 2.08 -0.32 -1.39 0.00 -1.60 0.26 119.26 117.42 1bnp h ALA 47 Ca -0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1bnp h ALA 47 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1bnp h ALA 47 CO -0.09 -0.17 -0.35 0.87 0.00 0.00 0.00 179.25 179.51 1bnp h LYS 48 N 0.22 0.72 -6.86 0.00 1.57 -1.75 -3.44 116.57 107.03 1bnp h LYS 48 Ca 0.18 -0.35 -0.52 0.00 -1.87 0.00 0.00 60.65 58.09 1bnp h LYS 48 Cb 0.42 -0.00 0.22 0.00 0.08 0.00 0.00 32.23 32.94 1bnp h LYS 48 CO -0.03 0.97 -0.49 0.98 -0.57 0.00 0.00 179.45 180.30 1bnp n TYR 49 N -4.06 -1.09 0.55 -1.35 9.36 0.91 -4.81 117.16 116.67 1bnp n TYR 49 Ca -0.01 0.24 0.06 0.00 3.32 0.00 0.00 57.90 61.50 1bnp n TYR 49 Cb 0.50 -1.79 0.30 0.00 -0.63 0.00 0.00 39.34 37.73 1bnp n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1bnp n PRO 50 N -2.25 0.13 -0.36 2.98 -0.05 -1.26 -4.98 135.00 129.21 1bnp n PRO 50 Ca 0.07 0.20 0.05 0.00 -0.05 0.00 0.00 63.50 63.76 1bnp n PRO 50 Cb 0.54 -1.50 -0.01 0.00 -0.05 0.00 0.00 33.50 32.48 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bnp n HIS 51 N -1.34 -0.91 -3.77 0.54 8.25 -1.26 -4.69 115.22 112.03 1bnp n HIS 51 Ca 0.05 0.47 -0.28 0.00 -0.26 0.00 0.00 57.72 57.70 1bnp n HIS 51 Cb 0.11 -0.83 0.02 0.00 1.12 0.00 0.00 29.99 30.41 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bnp n LYS 52 N -2.41 -2.49 -1.84 -0.41 4.81 -1.26 -4.59 118.16 109.98 1bnp n LYS 52 Ca -0.00 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.47 1bnp n LYS 52 Cb 0.17 -4.43 -0.03 0.00 0.02 0.00 0.00 35.03 30.76 1bnp n LYS 52 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1bnp s ILE 53 N -3.66 3.30 -0.43 3.15 1.01 -1.26 -4.85 121.20 118.45 1bnp s ILE 53 Ca 0.24 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1bnp s ILE 53 Cb -0.09 -3.35 0.12 0.00 0.01 0.00 0.00 42.46 39.16 1bnp s ILE 53 CO 0.86 -0.19 2.52 2.29 0.00 0.00 0.00 174.94 180.43 1bnp n LYS 54 N 8.27 2.24 -3.65 2.79 2.85 -1.26 -4.84 118.16 124.57 1bnp n LYS 54 Ca 0.24 -2.17 -0.02 0.00 -1.05 0.00 0.00 58.31 55.32 1bnp n LYS 54 Cb 0.45 -2.00 -0.05 0.00 -0.65 0.00 0.00 35.03 32.78 1bnp n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1bnp s SER 55 N 0.21 -0.02 0.10 -5.58 1.04 -1.26 -5.03 113.70 103.16 1bnp s SER 55 Ca 0.51 0.02 0.10 0.00 0.48 0.00 0.00 55.95 57.06 1bnp s SER 55 Cb 0.35 0.02 -0.17 0.00 0.10 0.00 0.00 66.02 66.32 1bnp s SER 55 CO -0.15 -0.01 1.13 1.23 0.98 0.00 0.00 173.24 176.41 1bnp h GLY 56 N 2.50 0.00 2.00 7.32 0.00 -1.97 -3.27 103.07 109.64 1bnp h GLY 56 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1bnp h GLY 56 CO 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.59 1bnp h ALA 57 N 1.09 1.65 -0.15 3.60 0.00 -2.00 -2.70 119.26 120.76 1bnp h ALA 57 Ca -0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bnp h ALA 57 Cb 1.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1bnp h ALA 57 CO 0.10 0.19 0.08 0.93 0.00 0.00 0.00 179.25 180.55 1bnp h GLU 58 N 0.00 0.21 -0.03 0.00 5.08 -1.97 -1.94 114.58 115.93 1bnp h GLU 58 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1bnp h GLU 58 Cb 0.28 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1bnp h GLU 58 CO 0.02 0.22 0.02 0.00 -1.00 0.00 0.00 179.01 178.28 1bnp h ALA 59 N 0.97 2.01 -0.80 3.43 0.00 -1.64 -1.19 119.26 122.04 1bnp h ALA 59 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 59 Cb 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 59 CO -0.01 -0.02 0.34 -0.22 0.00 0.00 0.00 179.25 179.35 1bnp h LYS 60 N 0.02 1.18 -0.04 0.00 3.64 -1.25 -1.63 116.57 118.48 1bnp h LYS 60 Ca 0.01 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1bnp h LYS 60 Cb 0.04 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1bnp h LYS 60 CO -0.00 0.94 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.77 1bnp h LYS 61 N 1.15 0.06 -6.27 1.90 3.64 -0.93 -3.41 116.57 112.71 1bnp h LYS 61 Ca 0.27 -0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 59.09 1bnp h LYS 61 Cb 0.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1bnp h LYS 61 CO -0.03 0.19 1.12 -0.51 -2.27 0.00 0.00 179.45 177.95 1bnp s LEU 62 N -8.76 4.26 0.39 5.20 1.43 -0.62 -4.85 118.68 115.73 1bnp s LEU 62 Ca -0.05 2.19 0.28 0.00 -1.03 0.00 0.00 54.13 55.53 1bnp s LEU 62 Cb 0.16 -3.53 1.38 0.00 0.03 0.00 0.00 46.19 44.23 1bnp s LEU 62 CO 0.70 -1.01 1.84 1.55 0.23 0.00 0.00 176.35 179.67 1bnp h PRO 63 N 9.94 0.00 0.01 1.29 0.13 -1.84 -3.08 132.00 138.45 1bnp h PRO 63 Ca -0.40 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.33 1bnp h PRO 63 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1bnp h PRO 63 CO 0.96 0.00 -2.43 0.41 -0.23 0.00 0.00 178.00 176.71 1bnp n GLY 64 N -0.77 -0.42 3.90 1.56 0.00 -1.26 -4.99 105.19 103.21 1bnp n GLY 64 Ca -0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1bnp n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bnp s VAL 65 N -2.51 4.36 0.00 1.61 -7.23 -1.16 -4.49 120.40 110.97 1bnp s VAL 65 Ca -0.35 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1bnp s VAL 65 Cb 0.11 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1bnp s VAL 65 CO 0.58 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1bnp n GLY 66 N -1.37 0.98 1.78 2.32 0.00 -1.20 -4.22 105.19 103.48 1bnp n GLY 66 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N 0.00 0.00 -0.00 2.61 -1.04 -1.26 -4.79 114.28 109.79 1bnp n THR 67 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bnp n THR 67 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bnp n LYS 68 N -2.47 0.42 0.10 -2.82 4.76 -1.26 -4.66 118.16 112.23 1bnp n LYS 68 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.41 1bnp n LYS 68 Cb 0.00 -1.01 0.05 0.00 -1.84 0.00 0.00 35.03 32.23 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1bnp h ILE 69 N 0.00 1.55 0.00 -0.18 1.08 -1.93 -3.09 117.51 114.94 1bnp h ILE 69 Ca -0.01 -2.67 -0.02 0.00 -0.39 0.00 0.00 64.86 61.77 1bnp h ILE 69 Cb 1.02 2.45 -0.00 0.00 -3.07 0.00 0.00 36.82 37.21 1bnp h ILE 69 CO -0.00 0.76 -0.07 0.00 -0.69 0.00 0.00 178.15 178.15 1bnp h ALA 70 N 1.22 1.80 -0.50 1.87 0.00 -1.91 -1.70 119.26 120.04 1bnp h ALA 70 Ca -0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1bnp h ALA 70 Cb 1.38 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1bnp h ALA 70 CO 0.10 0.09 -0.09 1.49 0.00 0.00 0.00 179.25 180.84 1bnp h GLU 71 N 0.00 0.91 -0.15 0.00 4.57 -1.80 -2.36 114.58 115.74 1bnp h GLU 71 Ca -0.00 -0.31 -0.16 0.00 -1.18 0.00 0.00 59.36 57.71 1bnp h GLU 71 Cb 0.13 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1bnp h GLU 71 CO 0.01 0.96 -0.57 -0.22 -1.18 0.00 0.00 179.01 178.01 1bnp h LYS 72 N 0.82 0.48 -0.78 1.92 1.63 -1.44 -2.76 116.57 116.45 1bnp h LYS 72 Ca 0.14 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 1bnp h LYS 72 Cb 0.62 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1bnp h LYS 72 CO 0.04 0.92 0.37 0.82 -3.45 0.00 0.00 179.45 178.15 1bnp h ILE 73 N 0.37 1.25 0.00 2.00 2.04 -1.17 -1.06 117.51 120.94 1bnp h ILE 73 Ca 0.00 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1bnp h ILE 73 Cb 1.11 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1bnp h ILE 73 CO 0.10 0.29 -0.27 -0.78 0.00 0.00 0.00 178.15 177.50 1bnp h ASP 74 N 1.10 0.00 -0.89 1.72 3.58 -1.32 -2.30 116.42 118.31 1bnp h ASP 74 Ca 0.27 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.73 1bnp h ASP 74 Cb 0.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1bnp h ASP 74 CO -0.03 0.27 0.59 -0.08 -2.88 0.00 0.00 179.24 177.10 1bnp h GLU 75 N 0.00 1.16 -0.07 0.28 4.81 -0.90 0.48 114.58 120.34 1bnp h GLU 75 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1bnp h GLU 75 Cb 0.50 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1bnp h GLU 75 CO 0.03 0.77 0.03 0.74 -0.73 0.00 0.00 179.01 179.86 1bnp h PHE 76 N 1.19 0.11 -0.38 0.92 0.04 -1.23 -2.62 116.94 114.98 1bnp h PHE 76 Ca 0.33 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1bnp h PHE 76 Cb -0.13 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1bnp h PHE 76 CO -0.00 0.20 0.01 1.28 -0.60 0.00 0.00 178.31 179.21 1bnp n LEU 77 N -4.96 4.10 -0.06 1.54 4.77 -0.91 -3.77 117.00 117.71 1bnp n LEU 77 Ca -0.06 -2.09 -0.04 0.00 -0.03 0.00 0.00 56.01 53.80 1bnp n LEU 77 Cb 0.10 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1bnp n LEU 77 CO 0.34 0.51 -0.27 0.00 -1.33 0.00 0.00 177.39 176.64 1bnp h ALA 78 N 3.23 0.00 0.00 -1.18 0.00 0.36 -3.47 119.26 118.20 1bnp h ALA 78 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1bnp h ALA 78 Cb 1.48 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 19.52 1bnp h ALA 78 CO 0.33 0.39 -0.28 -2.37 0.00 0.00 0.00 179.25 177.32 1bnp n THR 79 N -4.15 0.00 -1.32 0.00 5.66 -1.25 -4.97 114.28 108.25 1bnp n THR 79 Ca -0.05 -1.10 -0.30 0.00 -3.05 0.00 0.00 64.05 59.55 1bnp n THR 79 Cb 0.20 0.99 0.12 0.00 -1.55 0.00 0.00 70.33 70.09 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 -1.34 5.40 2.89 1.09 0.00 -1.25 -4.85 105.19 107.12 1bnp n GLY 80 Ca -0.15 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 1bnp n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnp s LYS 81 N -3.63 0.14 0.80 1.61 -0.14 -1.26 -5.06 119.74 112.21 1bnp s LYS 81 Ca 0.61 0.53 -0.12 0.00 -1.36 0.00 0.00 55.97 55.63 1bnp s LYS 81 Cb 0.49 -0.47 0.08 0.00 -1.68 0.00 0.00 37.83 36.25 1bnp s LYS 81 CO 0.03 -0.42 1.16 -0.51 -0.76 0.00 0.00 175.35 174.85 1bnp s LEU 82 N 2.37 3.09 -1.08 3.17 2.01 -1.26 -4.94 118.68 122.04 1bnp s LEU 82 Ca 0.04 2.17 -0.06 0.00 0.01 0.00 0.00 54.13 56.29 1bnp s LEU 82 Cb -0.13 -4.57 0.29 0.00 0.01 0.00 0.00 46.19 41.79 1bnp s LEU 82 CO -0.09 -2.50 1.22 0.54 1.01 0.00 0.00 176.35 176.53 1bnp n ARG 83 N -3.42 3.80 -0.03 1.70 1.74 -1.26 -4.64 116.66 114.55 1bnp n ARG 83 Ca 0.12 -4.50 -0.04 0.00 -0.77 0.00 0.00 57.85 52.66 1bnp n ARG 83 Cb 0.52 -2.52 -0.04 0.00 -1.02 0.00 0.00 32.46 29.39 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1bnp n LYS 84 N 2.13 1.68 -4.40 5.56 4.81 -1.26 -5.03 118.16 121.66 1bnp n LYS 84 Ca 0.25 0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.48 1bnp n LYS 84 Cb 0.37 -1.15 -0.13 0.00 0.02 0.00 0.00 35.03 34.14 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1bnp s LEU 85 N -4.91 2.23 -0.35 3.14 2.34 -1.26 -5.11 118.68 114.76 1bnp s LEU 85 Ca -0.06 -0.58 0.02 0.00 0.06 0.00 0.00 54.13 53.57 1bnp s LEU 85 Cb 0.02 -0.81 0.10 0.00 -0.56 0.00 0.00 46.19 44.94 1bnp s LEU 85 CO 0.21 0.07 0.09 -0.70 -1.06 0.00 0.00 176.35 174.96 1bnp s GLU 86 N -1.51 1.27 0.00 1.48 2.12 -1.26 -5.12 118.70 115.68 1bnp s GLU 86 Ca 0.05 -1.70 0.27 0.00 0.36 0.00 0.00 54.97 53.95 1bnp s GLU 86 Cb -0.09 -2.79 0.84 0.00 0.26 0.00 0.00 34.13 32.35 1bnp s GLU 86 CO 0.03 -0.98 1.63 1.17 -0.54 0.00 0.00 175.26 176.56