#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp s SER 2 N 0.00 5.71 0.00 7.83 0.01 -1.26 -4.95 113.70 121.04 1bnp s SER 2 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1bnp s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1bnp s SER 2 CO 0.00 -1.94 0.00 0.29 0.41 0.00 0.00 173.24 172.00 1bnp n LYS 3 N 8.69 2.04 -1.82 12.44 5.02 -1.26 -5.03 118.16 138.24 1bnp n LYS 3 Ca 0.21 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.11 1bnp n LYS 3 Cb 0.49 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.55 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 0.00 2.74 0.00 1.97 0.63 -1.26 -4.42 116.66 116.32 1bnp n ARG 4 Ca 0.00 -3.48 0.00 0.00 -0.92 0.00 0.00 57.85 53.45 1bnp n ARG 4 Cb 0.00 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 30.64 1bnp n ARG 4 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bnp n LYS 5 N -0.61 0.00 -2.30 -0.14 4.81 -1.26 -5.05 118.16 113.61 1bnp n LYS 5 Ca 0.55 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.67 1bnp n LYS 5 Cb 0.31 -0.58 -0.02 0.00 0.02 0.00 0.00 35.03 34.76 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bnp s ALA 6 N -2.00 2.89 0.40 3.14 0.00 -1.26 -4.94 121.76 119.99 1bnp s ALA 6 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1bnp s ALA 6 Cb 0.00 -3.20 0.82 0.00 0.00 0.00 0.00 23.12 20.75 1bnp s ALA 6 CO 0.00 -0.47 2.01 -1.00 0.00 0.00 0.00 175.76 176.29 1bnp h PRO 7 N 0.91 0.45 -6.52 0.00 0.13 -1.96 -3.42 132.00 121.59 1bnp h PRO 7 Ca -0.47 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.08 1bnp h PRO 7 Cb 1.21 -0.09 0.04 0.00 0.13 0.00 0.00 31.00 32.28 1bnp h PRO 7 CO 0.59 0.38 1.03 -0.65 -0.23 0.00 0.00 178.00 179.12 1bnp s GLN 8 N -5.24 4.17 0.02 0.86 -1.52 -1.26 -4.52 119.66 112.17 1bnp s GLN 8 Ca -0.07 2.47 0.00 0.00 -1.95 0.00 0.00 55.36 55.81 1bnp s GLN 8 Cb 0.17 -3.48 0.00 0.00 -0.22 0.00 0.00 33.01 29.48 1bnp s GLN 8 CO 0.73 -0.76 0.00 -1.91 -0.25 0.00 0.00 175.29 173.10 1bnp n GLU 9 N 5.24 0.00 -4.06 2.91 2.13 -1.26 -4.93 120.64 120.66 1bnp n GLU 9 Ca 0.16 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.65 1bnp n GLU 9 Cb 0.39 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.04 1bnp n GLU 9 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1bnp n THR 10 N -2.26 -0.18 -1.96 6.31 5.66 -1.26 -4.81 114.28 115.78 1bnp n THR 10 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1bnp n THR 10 Cb 0.00 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.12 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bnp s LEU 11 N -6.80 3.91 0.15 1.09 1.43 -1.26 -4.96 118.68 112.25 1bnp s LEU 11 Ca 0.65 1.84 -0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1bnp s LEU 11 Cb -0.37 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 1bnp s LEU 11 CO 0.80 -1.34 0.30 0.20 0.23 0.00 0.00 176.35 176.54 1bnp s ASN 12 N 4.92 0.01 0.08 2.29 0.01 -1.26 -4.04 114.94 116.94 1bnp s ASN 12 Ca 0.79 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1bnp s ASN 12 Cb -0.29 0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.80 1bnp s ASN 12 CO 0.32 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 1bnp n GLY 13 N -0.19 -2.37 0.00 0.66 0.00 -1.26 -4.94 105.19 97.09 1bnp n GLY 13 Ca -0.10 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.57 1.77 0.16 -0.02 0.00 -1.26 -4.82 105.19 98.44 1bnp n GLY 14 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.95 -2.84 117.51 114.15 1bnp h ILE 15 Ca 0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 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 -0.00 0.00 0.00 0.00 0.00 178.15 178.15 1bnp h THR 16 N -0.71 0.09 0.28 -0.27 1.03 -1.92 -1.65 112.91 109.76 1bnp h THR 16 Ca -0.04 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.32 1bnp h THR 16 Cb 0.29 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.39 1bnp h THR 16 CO 0.06 0.00 -0.13 0.44 -0.01 0.00 0.00 175.52 175.88 1bnp h ASP 17 N 0.00 -0.32 0.44 0.00 5.19 -1.97 -1.63 116.42 118.13 1bnp h ASP 17 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1bnp h ASP 17 Cb 0.02 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1bnp h ASP 17 CO 0.00 -0.05 0.00 0.24 -3.12 0.00 0.00 179.24 176.31 1bnp h MET 18 N -0.72 0.00 0.07 3.56 2.86 -1.40 -1.54 114.93 117.77 1bnp h MET 18 Ca -0.04 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.35 1bnp h MET 18 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1bnp h MET 18 CO 0.06 0.00 -1.18 1.25 1.06 0.00 0.00 176.91 178.10 1bnp h LEU 19 N 0.00 0.25 0.00 1.22 5.85 -1.32 -3.13 115.31 118.18 1bnp h LEU 19 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1bnp h LEU 19 Cb 0.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1bnp h LEU 19 CO 0.00 1.21 -0.05 0.52 -0.34 0.00 0.00 178.44 179.78 1bnp n VAL 20 N -3.44 0.25 -0.07 1.05 0.31 -0.62 -2.63 118.33 113.18 1bnp n VAL 20 Ca -0.06 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1bnp n VAL 20 Cb 0.99 -0.48 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bnp h GLU 21 N 0.00 0.00 -0.29 5.55 4.81 -1.35 0.81 114.58 124.12 1bnp h GLU 21 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bnp h GLU 21 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1bnp h GLU 21 CO 0.00 0.56 0.14 1.25 -0.73 0.00 0.00 179.01 180.23 1bnp h LEU 22 N -1.00 0.34 -0.20 1.64 7.12 -1.65 0.63 115.31 122.19 1bnp h LEU 22 Ca -0.03 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.83 1bnp h LEU 22 Cb 0.62 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1bnp h LEU 22 CO -0.02 0.29 -0.62 0.00 -0.13 0.00 0.00 178.44 177.97 1bnp h ALA 23 N 1.76 0.65 0.00 1.25 0.00 -1.59 -2.92 119.26 118.42 1bnp h ALA 23 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bnp h ALA 23 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bnp h ALA 23 CO -0.02 0.78 0.00 0.09 0.00 0.00 0.00 179.25 180.10 1bnp n ASN 24 N -3.34 0.00 -0.19 0.00 3.02 0.28 -4.09 115.26 110.94 1bnp n ASN 24 Ca 0.01 0.10 0.11 0.00 -0.03 0.00 0.00 54.58 54.77 1bnp n ASN 24 Cb 0.75 -0.34 0.21 0.00 -0.61 0.00 0.00 39.78 39.79 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1bnp n PHE 25 N -1.34 0.44 -2.18 3.10 3.72 -0.87 -4.69 117.46 115.64 1bnp n PHE 25 Ca 0.09 0.68 -0.06 0.00 -0.05 0.00 0.00 57.45 58.12 1bnp n PHE 25 Cb 0.19 -0.98 -0.01 0.00 -0.94 0.00 0.00 39.48 37.75 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bnp n GLU 26 N -4.60 -2.31 0.02 -1.08 -0.58 -1.26 -4.48 120.64 106.36 1bnp n GLU 26 Ca 0.16 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1bnp n GLU 26 Cb 0.52 -4.74 0.00 0.00 -0.57 0.00 0.00 31.44 26.65 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1bnp n LYS 27 N -2.36 0.00 0.10 3.49 3.00 -1.26 -4.75 118.16 116.38 1bnp n LYS 27 Ca -0.06 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.25 1bnp n LYS 27 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.48 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 -0.75 3.14 -0.73 -1.99 -3.33 115.58 111.92 1bnp h ASN 28 Ca 0.00 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.67 1bnp h ASN 28 Cb 0.00 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.17 1bnp h ASN 28 CO 0.00 0.57 -0.86 0.52 -0.37 0.00 0.00 177.43 177.29 1bnp n VAL 29 N -3.13 2.32 -1.47 2.57 0.31 -1.26 -5.05 118.33 112.61 1bnp n VAL 29 Ca -0.02 -4.06 0.00 0.00 -0.01 0.00 0.00 64.34 60.25 1bnp n VAL 29 Cb 0.79 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bnp n SER 30 N -0.67 0.00 0.00 4.52 3.41 -1.25 -4.47 113.62 115.16 1bnp n SER 30 Ca 0.38 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1bnp n SER 30 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bnp n GLN 31 N -0.37 0.00 -3.05 4.33 6.02 -1.26 -3.91 117.38 119.14 1bnp n GLN 31 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1bnp n GLN 31 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 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 3.29 4.67 -1.78 -1.58 0.00 -1.26 -5.01 120.51 118.85 1bnp n ALA 32 Ca 0.00 -4.73 -0.32 0.00 0.00 0.00 0.00 53.44 48.39 1bnp n ALA 32 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.80 4.31 0.09 0.00 1.01 -1.25 -4.94 121.20 116.61 1bnp s ILE 33 Ca 0.45 1.07 -0.20 0.00 0.00 0.00 0.00 60.65 61.97 1bnp s ILE 33 Cb 0.22 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1bnp s ILE 33 CO -0.09 -0.67 1.59 1.12 0.00 0.00 0.00 174.94 176.89 1bnp h HIS 34 N 0.64 0.33 0.00 3.97 2.07 -1.97 -1.69 115.15 118.50 1bnp h HIS 34 Ca -0.47 -0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 56.95 1bnp h HIS 34 Cb 1.20 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 1bnp h HIS 34 CO 0.62 0.41 -0.34 0.87 -3.07 0.00 0.00 177.93 176.42 1bnp h LYS 35 N 0.15 0.00 -0.27 5.12 1.57 -2.01 -2.30 116.57 118.84 1bnp h LYS 35 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1bnp h LYS 35 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1bnp h LYS 35 CO -0.00 0.34 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.21 1bnp h TYR 36 N 0.00 0.46 0.00 -1.35 3.20 -1.74 -1.91 116.97 115.62 1bnp h TYR 36 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1bnp h TYR 36 Cb 0.61 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1bnp h TYR 36 CO 0.00 0.52 0.00 0.09 -1.64 0.00 0.00 178.16 177.13 1bnp n ASN 37 N -4.24 0.32 -0.08 -2.11 4.13 -0.69 -3.28 115.26 109.31 1bnp n ASN 37 Ca 0.00 0.54 -0.06 0.00 1.68 0.00 0.00 54.58 56.74 1bnp n ASN 37 Cb 0.29 -0.62 0.12 0.00 -1.54 0.00 0.00 39.78 38.02 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bnp h ALA 38 N 2.69 0.95 0.00 5.41 0.00 -1.28 -2.44 119.26 124.60 1bnp h ALA 38 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1bnp h ALA 38 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bnp h ALA 38 CO 0.00 0.61 -1.34 0.66 0.00 0.00 0.00 179.25 179.18 1bnp n TYR 39 N -4.14 0.95 -0.04 0.00 4.01 -1.21 -2.88 117.16 113.85 1bnp n TYR 39 Ca 0.01 0.31 -0.15 0.00 -0.16 0.00 0.00 57.90 57.90 1bnp n TYR 39 Cb 0.40 -1.05 -0.08 0.00 -0.31 0.00 0.00 39.34 38.30 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 0.48 -0.07 -0.72 1.12 -1.53 -1.66 114.38 112.01 1bnp h ARG 40 Ca -0.12 -0.35 -0.15 0.00 -1.11 0.00 0.00 59.98 58.24 1bnp h ARG 40 Cb 1.44 0.06 0.01 0.00 -0.01 0.00 0.00 29.97 31.47 1bnp h ARG 40 CO 0.03 0.98 -0.54 0.87 -3.11 0.00 0.00 179.97 178.19 1bnp h LYS 41 N 0.08 0.49 -0.22 0.20 1.79 -1.59 -2.62 116.57 114.70 1bnp h LYS 41 Ca -0.01 -0.44 -0.03 0.00 -2.18 0.00 0.00 60.65 57.99 1bnp h LYS 41 Cb 1.01 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1bnp h LYS 41 CO 0.08 1.07 -0.00 0.00 -1.08 0.00 0.00 179.45 179.52 1bnp h ALA 42 N 0.43 1.59 0.00 3.86 0.00 -1.60 -1.48 119.26 122.06 1bnp h ALA 42 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bnp h ALA 42 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnp h ALA 42 CO 0.11 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.55 1bnp h ALA 43 N 1.69 0.95 -0.17 0.00 0.00 -1.27 -1.57 119.26 118.89 1bnp h ALA 43 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 43 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bnp h ALA 43 CO 0.01 0.14 -0.59 1.03 0.00 0.00 0.00 179.25 179.84 1bnp h SER 44 N 0.00 0.61 0.82 0.00 0.87 -0.88 -2.20 113.55 112.78 1bnp h SER 44 Ca -0.00 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.15 1bnp h SER 44 Cb 0.94 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1bnp h SER 44 CO 0.01 1.06 -1.22 0.55 -0.53 0.00 0.00 176.83 176.70 1bnp n VAL 45 N -3.94 0.81 -0.04 2.23 3.14 -1.15 -3.77 118.33 115.62 1bnp n VAL 45 Ca -0.04 -0.60 -0.10 0.00 -2.96 0.00 0.00 64.34 60.64 1bnp n VAL 45 Cb 0.63 -0.47 -0.09 0.00 -1.06 0.00 0.00 33.84 32.84 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.00 1.22 -0.94 1.55 2.04 -1.27 -2.54 117.51 117.57 1bnp h ILE 46 Ca -0.07 -1.79 0.08 0.00 1.00 0.00 0.00 64.86 64.09 1bnp h ILE 46 Cb 1.23 2.25 -0.07 0.00 -0.74 0.00 0.00 36.82 39.50 1bnp h ILE 46 CO 0.02 0.39 0.61 0.00 0.00 0.00 0.00 178.15 179.17 1bnp h ALA 47 N -0.25 1.53 -0.17 1.87 0.00 -1.59 0.19 119.26 120.84 1bnp h ALA 47 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1bnp h ALA 47 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1bnp h ALA 47 CO 0.01 0.30 -0.37 0.87 0.00 0.00 0.00 179.25 180.06 1bnp h LYS 48 N 1.01 0.37 -7.16 0.00 1.57 -1.67 -3.44 116.57 107.26 1bnp h LYS 48 Ca 0.42 -0.17 -0.55 0.00 -1.87 0.00 0.00 60.65 58.49 1bnp h LYS 48 Cb 0.31 -0.01 0.17 0.00 0.08 0.00 0.00 32.23 32.78 1bnp h LYS 48 CO -0.18 0.69 0.43 -0.47 -0.57 0.00 0.00 179.45 179.35 1bnp s TYR 49 N -4.26 1.95 -0.88 -1.35 5.04 0.66 -4.84 117.35 113.67 1bnp s TYR 49 Ca -0.06 1.58 0.04 0.00 -2.44 0.00 0.00 57.07 56.19 1bnp s TYR 49 Cb 0.13 -3.59 0.22 0.00 0.35 0.00 0.00 41.96 39.07 1bnp s TYR 49 CO 0.79 -2.88 1.13 -2.30 -1.34 0.00 0.00 175.55 170.95 1bnp n PRO 50 N -2.58 0.02 -0.06 4.97 -0.02 -1.26 -4.95 135.00 131.12 1bnp n PRO 50 Ca 0.15 0.50 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1bnp n PRO 50 Cb 0.49 -1.57 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bnp n HIS 51 N -1.62 -1.59 -3.30 6.00 8.25 -1.26 -5.01 115.22 116.70 1bnp n HIS 51 Ca 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 57.72 57.38 1bnp n HIS 51 Cb 0.02 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.02 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnp n LYS 52 N -0.70 -1.04 -3.44 -0.41 2.85 -1.26 -4.91 118.16 109.26 1bnp n LYS 52 Ca 0.00 1.10 -0.36 0.00 -1.05 0.00 0.00 58.31 58.00 1bnp n LYS 52 Cb 0.03 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 32.76 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1bnp s ILE 53 N -1.22 4.94 -0.08 0.58 -4.36 -1.26 -4.86 121.20 114.93 1bnp s ILE 53 Ca 0.15 0.80 0.15 0.00 -0.26 0.00 0.00 60.65 61.49 1bnp s ILE 53 Cb -0.02 -3.73 -0.18 0.00 1.25 0.00 0.00 42.46 39.78 1bnp s ILE 53 CO 0.38 0.39 0.73 2.29 0.24 0.00 0.00 174.94 178.97 1bnp n LYS 54 N 1.23 0.63 -4.38 0.37 2.85 -1.26 -4.92 118.16 112.69 1bnp n LYS 54 Ca -0.09 0.26 -0.25 0.00 -1.05 0.00 0.00 58.31 57.18 1bnp n LYS 54 Cb 0.52 -1.80 -0.12 0.00 -0.65 0.00 0.00 35.03 32.99 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bnp s SER 55 N -5.93 3.08 0.25 -5.58 0.15 -1.26 -5.01 113.70 99.40 1bnp s SER 55 Ca -0.04 -0.85 0.09 0.00 0.70 0.00 0.00 55.95 55.85 1bnp s SER 55 Cb 0.08 -0.21 0.26 0.00 -1.71 0.00 0.00 66.02 64.45 1bnp s SER 55 CO 0.82 0.06 1.56 1.23 1.20 0.00 0.00 173.24 178.10 1bnp h GLY 56 N 3.29 0.04 2.00 9.45 0.00 -1.98 -2.91 103.07 112.96 1bnp h GLY 56 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1bnp h GLY 56 CO 0.48 0.05 0.00 0.00 0.00 0.00 0.00 176.54 177.07 1bnp h ALA 57 N 1.30 1.00 -0.71 3.60 0.00 -2.01 -2.36 119.26 120.08 1bnp h ALA 57 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 57 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1bnp h ALA 57 CO 0.09 0.00 0.46 0.93 0.00 0.00 0.00 179.25 180.73 1bnp h GLU 58 N 0.00 0.88 -0.16 0.00 5.08 -1.94 -1.23 114.58 117.21 1bnp h GLU 58 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1bnp h GLU 58 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1bnp h GLU 58 CO 0.00 0.58 0.02 0.00 -1.00 0.00 0.00 179.01 178.61 1bnp h ALA 59 N 1.29 1.74 -0.43 3.43 0.00 -1.63 -1.32 119.26 122.34 1bnp h ALA 59 Ca 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1bnp h ALA 59 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1bnp h ALA 59 CO -0.09 0.20 0.08 -0.22 0.00 0.00 0.00 179.25 179.22 1bnp h LYS 60 N 0.23 0.66 -0.16 0.00 1.63 -1.34 -2.21 116.57 115.37 1bnp h LYS 60 Ca 0.06 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 1bnp h LYS 60 Cb 0.12 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1bnp h LYS 60 CO -0.00 0.62 -0.57 -0.22 -3.45 0.00 0.00 179.45 175.83 1bnp h LYS 61 N 0.64 0.51 -6.01 1.90 3.64 -1.04 -3.43 116.57 112.78 1bnp h LYS 61 Ca 0.14 -0.33 -0.60 0.00 -1.27 0.00 0.00 60.65 58.59 1bnp h LYS 61 Cb 0.28 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1bnp h LYS 61 CO 0.00 0.94 1.46 1.28 -2.27 0.00 0.00 179.45 180.87 1bnp n LEU 62 N -3.94 3.18 -4.56 5.20 4.77 -0.83 -4.83 117.00 116.00 1bnp n LEU 62 Ca -0.03 0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 1bnp n LEU 62 Cb 0.61 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1bnp n LEU 62 CO 0.47 -0.63 1.28 -2.16 -1.33 0.00 0.00 177.39 175.02 1bnp s PRO 63 N 6.19 1.81 0.00 3.23 0.04 -1.26 -1.98 135.00 143.03 1bnp s PRO 63 Ca 1.01 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1bnp s PRO 63 Cb -0.41 -4.82 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1bnp s PRO 63 CO 0.38 -4.18 0.00 0.41 0.04 0.00 0.00 177.00 173.65 1bnp n GLY 64 N 6.77 3.73 3.29 0.56 0.00 -1.26 -4.74 105.19 113.54 1bnp n GLY 64 Ca 0.45 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 4.44 -0.15 1.61 0.31 -0.84 -3.97 118.33 119.74 1bnp n VAL 65 Ca 0.00 -4.94 0.00 0.00 -0.01 0.00 0.00 64.34 59.39 1bnp n VAL 65 Cb 0.00 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 1bnp n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bnp n GLY 66 N 3.28 1.51 0.00 2.92 0.00 -1.26 -3.90 105.19 107.75 1bnp n GLY 66 Ca 0.33 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.70 114.28 111.89 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 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 -1.57 0.00 0.26 -2.82 4.01 -1.26 -3.36 118.16 113.42 1bnp n LYS 68 Ca 0.00 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.91 1bnp n LYS 68 Cb 0.00 0.00 0.71 0.00 -0.51 0.00 0.00 35.03 35.23 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1bnp h ILE 69 N 0.00 0.73 -0.39 -0.18 5.03 -1.89 -2.32 117.51 118.49 1bnp h ILE 69 Ca 0.00 -0.39 0.11 0.00 -0.12 0.00 0.00 64.86 64.46 1bnp h ILE 69 Cb 0.00 1.24 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 1bnp h ILE 69 CO 0.00 0.10 0.34 0.00 -0.68 0.00 0.00 178.15 177.91 1bnp h ALA 70 N 1.90 2.20 -0.51 1.87 0.00 -1.52 -0.74 119.26 122.47 1bnp h ALA 70 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bnp h ALA 70 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bnp h ALA 70 CO 0.01 -0.54 0.33 0.93 0.00 0.00 0.00 179.25 179.99 1bnp h GLU 71 N 0.00 0.67 -0.07 0.00 4.39 -1.72 -1.75 114.58 116.10 1bnp h GLU 71 Ca 0.19 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1bnp h GLU 71 Cb 0.86 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1bnp h GLU 71 CO -0.00 0.45 -0.48 0.87 -1.16 0.00 0.00 179.01 178.69 1bnp h LYS 72 N 0.69 0.16 -0.15 2.33 6.56 -1.33 -2.54 116.57 122.28 1bnp h LYS 72 Ca 0.19 -0.09 0.04 0.00 -1.06 0.00 0.00 60.65 59.73 1bnp h LYS 72 Cb -0.07 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.59 1bnp h LYS 72 CO -0.04 0.61 0.13 0.82 -2.06 0.00 0.00 179.45 178.91 1bnp h ILE 73 N 0.13 0.76 0.00 1.86 1.08 -0.95 0.07 117.51 120.47 1bnp h ILE 73 Ca 0.01 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.32 1bnp h ILE 73 Cb 0.89 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.52 1bnp h ILE 73 CO 0.07 0.00 -1.23 -0.78 -0.69 0.00 0.00 178.15 175.52 1bnp h ASP 74 N 0.00 0.00 -0.83 1.72 3.58 -1.13 -2.95 116.42 116.81 1bnp h ASP 74 Ca 0.07 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.57 1bnp h ASP 74 Cb 0.33 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 1bnp h ASP 74 CO -0.00 0.58 0.54 -0.33 -2.88 0.00 0.00 179.24 177.15 1bnp h GLU 75 N 0.00 0.94 0.07 0.28 4.39 -0.69 0.65 114.58 120.22 1bnp h GLU 75 Ca -0.13 -0.06 -0.33 0.00 0.34 0.00 0.00 59.36 59.18 1bnp h GLU 75 Cb 1.55 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1bnp h GLU 75 CO 0.05 0.62 -1.85 1.19 -1.16 0.00 0.00 179.01 177.86 1bnp n PHE 76 N -4.47 1.17 -0.14 4.33 3.72 -1.15 -3.98 117.46 116.95 1bnp n PHE 76 Ca 0.12 0.32 -0.01 0.00 -0.05 0.00 0.00 57.45 57.83 1bnp n PHE 76 Cb 0.16 -1.18 0.20 0.00 -0.94 0.00 0.00 39.48 37.72 1bnp n PHE 76 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1bnp n LEU 77 N -3.29 4.10 0.00 4.37 7.99 -0.98 -4.06 117.00 125.13 1bnp n LEU 77 Ca -0.25 -2.10 -0.05 0.00 -0.01 0.00 0.00 56.01 53.60 1bnp n LEU 77 Cb 1.05 -0.63 -0.11 0.00 -0.11 0.00 0.00 43.42 43.62 1bnp n LEU 77 CO 0.44 0.56 -0.40 0.00 -1.51 0.00 0.00 177.39 176.47 1bnp h ALA 78 N 2.72 0.72 -0.87 -1.18 0.00 0.16 -3.34 119.26 117.47 1bnp h ALA 78 Ca 0.09 -1.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.39 1bnp h ALA 78 Cb 1.54 0.39 -0.26 0.00 0.00 0.00 0.00 17.79 19.46 1bnp h ALA 78 CO 0.38 1.29 0.54 0.25 0.00 0.00 0.00 179.25 181.71 1bnp n THR 79 N -2.99 2.96 -1.71 0.00 -2.24 -1.26 -4.24 114.28 104.80 1bnp n THR 79 Ca -0.13 -1.70 0.05 0.00 -2.27 0.00 0.00 64.05 60.00 1bnp n THR 79 Cb 0.96 -0.50 0.18 0.00 -2.10 0.00 0.00 70.33 68.87 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bnp n GLY 80 N -0.86 4.74 1.15 3.38 0.00 -1.25 -4.13 105.19 108.22 1bnp n GLY 80 Ca 0.52 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1bnp n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bnp n LYS 81 N -0.93 1.49 -2.15 1.61 4.81 -1.26 -4.99 118.16 116.73 1bnp n LYS 81 Ca 0.18 -3.12 -0.18 0.00 -0.87 0.00 0.00 58.31 54.32 1bnp n LYS 81 Cb 0.75 -1.31 0.09 0.00 0.02 0.00 0.00 35.03 34.58 1bnp n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1bnp n LEU 82 N -0.64 0.00 -3.97 3.14 4.32 -1.26 -5.13 117.00 113.46 1bnp n LEU 82 Ca 0.19 -1.66 -0.09 0.00 -0.02 0.00 0.00 56.01 54.43 1bnp n LEU 82 Cb 0.85 -0.51 -0.05 0.00 -1.62 0.00 0.00 43.42 42.09 1bnp n LEU 82 CO 0.03 -0.89 0.23 0.00 -1.22 0.00 0.00 177.39 175.53 1bnp s ARG 83 N -4.54 1.58 0.26 3.23 1.70 -1.26 -5.14 118.95 114.78 1bnp s ARG 83 Ca 0.52 -1.20 -0.15 0.00 -0.47 0.00 0.00 55.73 54.43 1bnp s ARG 83 Cb -0.03 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1bnp s ARG 83 CO 0.35 -0.67 0.57 -1.59 -1.08 0.00 0.00 175.30 172.88 1bnp s LYS 84 N -4.00 1.65 -0.28 3.89 -2.85 -1.26 -5.08 119.74 111.82 1bnp s LYS 84 Ca 0.20 -1.18 0.20 0.00 -1.00 0.00 0.00 55.97 54.20 1bnp s LYS 84 Cb -0.01 0.52 0.49 0.00 -2.06 0.00 0.00 37.83 36.77 1bnp s LYS 84 CO 0.08 -0.72 1.08 1.47 0.10 0.00 0.00 175.35 177.36 1bnp n LEU 85 N -0.42 1.90 -1.48 2.77 -0.00 -1.26 -5.12 117.00 113.40 1bnp n LEU 85 Ca -0.02 -3.39 0.19 0.00 -0.00 0.00 0.00 56.01 52.78 1bnp n LEU 85 Cb 0.61 0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 44.32 1bnp n LEU 85 CO 0.20 1.28 -0.53 -0.62 -0.00 0.00 0.00 177.39 177.72 1bnp n GLU 86 N -0.47 -3.27 0.00 1.47 -0.58 -1.26 -5.36 120.64 111.17 1bnp n GLU 86 Ca 0.11 2.53 0.13 0.00 -0.42 0.00 0.00 57.16 59.51 1bnp n GLU 86 Cb 0.81 -3.88 0.30 0.00 -0.57 0.00 0.00 31.44 28.11 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28