#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 -2.69 3.17 7.64 -1.26 -3.88 113.62 116.60 1bnp n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1bnp n SER 2 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1bnp n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1bnp s LYS 3 N 0.00 0.25 0.32 1.43 1.02 -1.26 -5.17 119.74 116.34 1bnp s LYS 3 Ca 0.00 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.71 1bnp s LYS 3 Cb 0.00 -0.01 0.08 0.00 -0.52 0.00 0.00 37.83 37.38 1bnp s LYS 3 CO 0.00 -0.31 0.42 2.89 -0.92 0.00 0.00 175.35 177.43 1bnp n ARG 4 N 2.78 -0.56 -1.02 1.68 0.00 -1.25 -5.04 116.66 113.26 1bnp n ARG 4 Ca 0.11 -0.65 -0.03 0.00 -0.00 0.00 0.00 57.85 57.28 1bnp n ARG 4 Cb 0.64 -0.45 -0.04 0.00 -0.00 0.00 0.00 32.46 32.61 1bnp n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1bnp n LYS 5 N -1.98 0.00 -3.34 2.89 4.81 -1.26 -5.11 118.16 114.16 1bnp n LYS 5 Ca 0.05 -1.09 -0.36 0.00 -0.87 0.00 0.00 58.31 56.04 1bnp n LYS 5 Cb 0.19 0.26 -0.06 0.00 0.02 0.00 0.00 35.03 35.44 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 0.00 3.59 0.37 3.14 0.00 -1.26 -5.04 121.76 122.57 1bnp s ALA 6 Ca 0.08 -0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1bnp s ALA 6 Cb 0.09 -2.54 -0.10 0.00 0.00 0.00 0.00 23.12 20.57 1bnp s ALA 6 CO -0.04 0.44 1.36 -1.25 0.00 0.00 0.00 175.76 176.27 1bnp s PRO 7 N -1.63 4.12 -0.88 0.00 0.04 -1.26 -4.93 135.00 130.46 1bnp s PRO 7 Ca 0.34 2.31 -0.22 0.00 0.04 0.00 0.00 61.00 63.46 1bnp s PRO 7 Cb -0.16 -2.92 0.07 0.00 0.04 0.00 0.00 34.50 31.53 1bnp s PRO 7 CO 0.19 -0.42 1.24 -1.14 0.04 0.00 0.00 177.00 176.91 1bnp s GLN 8 N -2.06 3.44 0.23 4.56 0.74 -1.26 -4.97 119.66 120.34 1bnp s GLN 8 Ca 0.53 -1.09 0.00 0.00 0.05 0.00 0.00 55.36 54.85 1bnp s GLN 8 Cb -0.41 -4.83 -0.00 0.00 1.10 0.00 0.00 33.01 28.87 1bnp s GLN 8 CO 0.55 -2.01 0.00 0.39 -0.55 0.00 0.00 175.29 173.67 1bnp n GLU 9 N 8.12 1.43 -0.22 1.67 -0.58 -1.26 -5.14 120.64 124.67 1bnp n GLU 9 Ca 0.19 -1.67 -0.12 0.00 -0.42 0.00 0.00 57.16 55.13 1bnp n GLU 9 Cb 0.49 0.45 0.11 0.00 -0.57 0.00 0.00 31.44 31.93 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1bnp n THR 10 N -0.57 0.00 -2.28 2.62 -2.24 -1.26 -4.85 114.28 105.71 1bnp n THR 10 Ca -0.09 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1bnp n THR 10 Cb 0.29 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 1bnp n THR 10 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1bnp s LEU 11 N 0.00 3.59 0.43 3.22 0.20 -1.26 -4.99 118.68 119.86 1bnp s LEU 11 Ca 0.28 0.95 0.07 0.00 0.69 0.00 0.00 54.13 56.13 1bnp s LEU 11 Cb -0.04 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.15 1bnp s LEU 11 CO 0.23 -1.47 0.29 0.20 -0.29 0.00 0.00 176.35 175.30 1bnp s ASN 12 N 4.33 4.71 0.00 3.68 0.02 -1.26 -4.96 114.94 121.45 1bnp s ASN 12 Ca 0.65 -0.97 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 1bnp s ASN 12 Cb -0.16 -0.40 0.00 0.00 0.02 0.00 0.00 41.25 40.71 1bnp s ASN 12 CO 0.32 -0.66 0.00 0.61 0.02 0.00 0.00 177.10 177.40 1bnp n GLY 13 N -1.43 2.29 0.00 0.66 0.00 -1.26 -4.93 105.19 100.52 1bnp n GLY 13 Ca 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 1.32 0.94 0.10 -0.02 0.00 -1.26 -4.75 105.19 101.52 1bnp n GLY 14 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.69 1.51 0.16 -0.61 -0.00 -1.26 -3.37 119.36 115.09 1bnp n ILE 15 Ca 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 62.75 62.74 1bnp n ILE 15 Cb 0.00 -2.10 0.15 0.00 -0.00 0.00 0.00 39.64 37.69 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 -1.00 0.90 0.18 1.39 1.03 -1.88 -0.74 112.91 112.79 1bnp h THR 16 Ca -0.33 -1.98 -0.31 0.00 -0.01 0.00 0.00 66.41 63.78 1bnp h THR 16 Cb 1.19 2.24 0.03 0.00 -1.07 0.00 0.00 68.15 70.54 1bnp h THR 16 CO -0.20 0.46 -1.34 0.44 -0.01 0.00 0.00 175.52 174.87 1bnp h ASP 17 N 0.00 0.76 1.05 0.00 3.32 -1.98 -2.25 116.42 117.32 1bnp h ASP 17 Ca -0.00 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1bnp h ASP 17 Cb 1.20 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1bnp h ASP 17 CO 0.06 1.59 -0.71 -0.03 -1.72 0.00 0.00 179.24 178.43 1bnp h MET 18 N 0.17 0.00 0.14 3.56 4.05 -1.60 -2.67 114.93 118.60 1bnp h MET 18 Ca -0.20 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 58.91 1bnp h MET 18 Cb 2.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.83 1bnp h MET 18 CO 0.25 0.00 -1.57 -0.07 0.23 0.00 0.00 176.91 175.75 1bnp h LEU 19 N 0.00 0.48 -0.95 3.39 3.38 -1.21 -3.10 115.31 117.30 1bnp h LEU 19 Ca 0.00 -0.89 -0.08 0.00 0.09 0.00 0.00 57.88 56.99 1bnp h LEU 19 Cb 0.88 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1bnp h LEU 19 CO 0.00 1.70 -0.39 0.58 0.09 0.00 0.00 178.44 180.41 1bnp h VAL 20 N -0.13 0.95 -0.23 1.22 2.07 -1.53 -2.93 116.25 115.66 1bnp h VAL 20 Ca -0.32 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.57 1bnp h VAL 20 Cb 1.90 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1bnp h VAL 20 CO 0.11 0.39 -0.14 -0.08 0.02 0.00 0.00 177.57 177.86 1bnp h GLU 21 N 0.00 0.51 -0.14 1.57 4.81 -1.56 -1.40 114.58 118.38 1bnp h GLU 21 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1bnp h GLU 21 Cb 0.90 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1bnp h GLU 21 CO 0.05 0.80 0.01 1.25 -0.73 0.00 0.00 179.01 180.39 1bnp h LEU 22 N 0.22 0.17 -0.74 1.64 6.46 -1.45 0.71 115.31 122.33 1bnp h LEU 22 Ca 0.05 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.66 1bnp h LEU 22 Cb 0.66 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1bnp h LEU 22 CO 0.04 0.20 -0.60 0.00 -0.62 0.00 0.00 178.44 177.46 1bnp h ALA 23 N 1.83 0.94 0.00 1.25 0.00 -1.31 -2.25 119.26 119.71 1bnp h ALA 23 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bnp h ALA 23 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bnp h ALA 23 CO 0.00 0.74 0.00 -1.71 0.00 0.00 0.00 179.25 178.28 1bnp n ASN 24 N -3.85 0.00 -0.26 0.00 2.85 0.19 -4.10 115.26 110.09 1bnp n ASN 24 Ca -0.02 -0.18 0.18 0.00 -0.11 0.00 0.00 54.58 54.46 1bnp n ASN 24 Cb 0.61 -0.24 0.34 0.00 1.24 0.00 0.00 39.78 41.73 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1bnp n PHE 25 N -1.24 0.70 -1.93 1.20 3.01 -0.85 -4.72 117.46 113.63 1bnp n PHE 25 Ca 0.13 0.92 -0.10 0.00 1.01 0.00 0.00 57.45 59.41 1bnp n PHE 25 Cb 0.17 -1.21 -0.02 0.00 -0.01 0.00 0.00 39.48 38.41 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bnp n GLU 26 N -4.91 -1.87 0.01 -1.08 -0.58 -0.98 -4.51 120.64 106.72 1bnp n GLU 26 Ca 0.24 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1bnp n GLU 26 Cb 0.80 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 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 -2.26 0.00 0.05 3.49 4.81 -1.26 -4.91 118.16 118.08 1bnp n LYS 27 Ca -0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.28 1bnp n LYS 27 Cb 0.47 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.42 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1bnp h ASN 28 N 0.00 0.00 -3.65 3.14 -0.73 -1.97 -3.41 115.58 108.96 1bnp h ASN 28 Ca 0.00 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.53 1bnp h ASN 28 Cb 0.00 0.00 -0.39 0.00 0.27 0.00 0.00 38.32 38.20 1bnp h ASN 28 CO 0.00 0.90 -0.76 -0.69 -0.37 0.00 0.00 177.43 176.51 1bnp s VAL 29 N -2.73 1.94 0.00 2.57 1.01 -1.26 -5.05 120.40 116.88 1bnp s VAL 29 Ca -0.00 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.12 1bnp s VAL 29 Cb 0.09 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1bnp s VAL 29 CO 0.81 -0.39 0.03 -0.24 0.00 0.00 0.00 175.10 175.32 1bnp n SER 30 N 4.44 0.00 0.13 3.32 2.88 -1.26 -2.33 113.62 120.80 1bnp n SER 30 Ca -0.04 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1bnp n SER 30 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.20 0.00 -1.49 -1.46 7.27 -1.26 -4.63 117.38 115.60 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 0.02 0.00 2.41 0.00 0.00 30.24 32.67 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bnp n ALA 32 N -3.13 6.23 -2.03 1.69 0.00 -1.26 -4.58 120.51 117.42 1bnp n ALA 32 Ca 0.00 -3.25 -0.23 0.00 0.00 0.00 0.00 53.44 49.96 1bnp n ALA 32 Cb 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.74 2.91 -0.07 0.00 -1.09 -1.26 -4.99 121.20 112.95 1bnp s ILE 33 Ca 0.53 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 58.22 1bnp s ILE 33 Cb 0.41 -3.13 -0.23 0.00 -1.58 0.00 0.00 42.46 37.92 1bnp s ILE 33 CO -0.20 -0.11 1.01 0.45 -1.23 0.00 0.00 174.94 174.85 1bnp h HIS 34 N -0.06 0.09 0.00 3.97 3.86 -2.00 -3.12 115.15 117.88 1bnp h HIS 34 Ca -0.44 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1bnp h HIS 34 Cb 1.29 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1bnp h HIS 34 CO 0.39 0.83 0.00 0.87 0.86 0.00 0.00 177.93 180.87 1bnp h LYS 35 N -0.68 0.00 0.07 2.45 1.79 -1.99 -3.21 116.57 115.01 1bnp h LYS 35 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1bnp h LYS 35 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1bnp h LYS 35 CO 0.02 0.00 -0.04 -0.92 -1.08 0.00 0.00 179.45 177.43 1bnp h TYR 36 N 0.00 -0.09 0.00 -1.35 5.03 -1.88 -2.81 116.97 115.87 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 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1bnp h TYR 36 CO 0.00 0.33 0.00 0.27 -1.32 0.00 0.00 178.16 177.44 1bnp n ASN 37 N -4.93 0.34 -0.06 -2.11 0.23 -1.19 -2.66 115.26 104.89 1bnp n ASN 37 Ca -0.08 0.59 -0.11 0.00 -0.53 0.00 0.00 54.58 54.44 1bnp n ASN 37 Cb 0.24 -0.66 -0.05 0.00 -2.08 0.00 0.00 39.78 37.23 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bnp h ALA 38 N 2.33 0.25 0.06 -2.53 0.00 -1.50 -1.65 119.26 116.23 1bnp h ALA 38 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1bnp h ALA 38 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 38 CO 0.00 -0.06 -1.21 1.88 0.00 0.00 0.00 179.25 179.86 1bnp h TYR 39 N 0.09 0.24 0.00 0.00 0.05 -1.59 -3.10 116.97 112.66 1bnp h TYR 39 Ca 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 1bnp h TYR 39 Cb 0.36 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1bnp h TYR 39 CO 0.03 1.15 -0.09 -0.09 -1.05 0.00 0.00 178.16 178.11 1bnp h ARG 40 N 0.04 0.00 0.03 4.88 1.12 -1.47 -0.56 114.38 118.41 1bnp h ARG 40 Ca -0.11 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.69 1bnp h ARG 40 Cb 1.89 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.86 1bnp h ARG 40 CO 0.16 0.09 -0.29 0.87 -3.11 0.00 0.00 179.97 177.68 1bnp h LYS 41 N 0.00 0.15 0.00 0.20 1.57 -1.30 -3.00 116.57 114.19 1bnp h LYS 41 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1bnp h LYS 41 Cb 0.17 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bnp h LYS 41 CO 0.01 1.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.89 1bnp h ALA 42 N 0.16 1.00 0.16 3.86 0.00 -1.41 -2.22 119.26 120.80 1bnp h ALA 42 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1bnp h ALA 42 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1bnp h ALA 42 CO 0.06 0.00 -1.48 0.00 0.00 0.00 0.00 179.25 177.82 1bnp h ALA 43 N 2.16 0.13 0.00 0.00 0.00 -1.09 -2.34 119.26 118.12 1bnp h ALA 43 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 54.91 53.82 1bnp h ALA 43 Cb 0.25 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bnp h ALA 43 CO 0.00 1.00 -0.41 0.77 0.00 0.00 0.00 179.25 180.61 1bnp h SER 44 N 0.09 0.00 0.03 0.00 0.02 -1.31 -2.95 113.55 109.44 1bnp h SER 44 Ca -0.23 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.44 1bnp h SER 44 Cb 2.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.56 1bnp h SER 44 CO 0.20 0.36 -1.49 0.55 -1.14 0.00 0.00 176.83 175.31 1bnp n VAL 45 N -3.17 1.60 0.01 2.27 3.14 -0.88 -4.28 118.33 117.02 1bnp n VAL 45 Ca 0.02 -0.20 -0.04 0.00 -2.96 0.00 0.00 64.34 61.16 1bnp n VAL 45 Cb 0.68 -1.96 0.19 0.00 -1.06 0.00 0.00 33.84 31.70 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 -0.72 1.27 -0.41 1.55 5.03 -1.57 -2.69 117.51 119.97 1bnp h ILE 46 Ca -0.38 -1.28 0.08 0.00 -0.12 0.00 0.00 64.86 63.17 1bnp h ILE 46 Cb 1.51 1.35 -0.09 0.00 -3.03 0.00 0.00 36.82 36.55 1bnp h ILE 46 CO -0.14 0.41 -0.31 0.00 -0.68 0.00 0.00 178.15 177.43 1bnp h ALA 47 N 1.29 -0.13 -0.25 1.87 0.00 -1.70 0.13 119.26 120.47 1bnp h ALA 47 Ca 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1bnp h ALA 47 Cb 0.68 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1bnp h ALA 47 CO 0.05 -0.70 -0.40 -0.22 0.00 0.00 0.00 179.25 177.98 1bnp h LYS 48 N -0.23 0.58 -6.94 0.00 1.63 -1.74 -3.45 116.57 106.42 1bnp h LYS 48 Ca 0.18 -0.29 -0.51 0.00 -0.85 0.00 0.00 60.65 59.18 1bnp h LYS 48 Cb 0.53 0.01 0.21 0.00 -0.60 0.00 0.00 32.23 32.38 1bnp h LYS 48 CO -0.54 0.88 -0.36 0.98 -3.45 0.00 0.00 179.45 176.96 1bnp n TYR 49 N -4.03 -0.76 0.21 1.91 9.36 0.44 -4.82 117.16 119.47 1bnp n TYR 49 Ca -0.02 0.23 0.03 0.00 3.32 0.00 0.00 57.90 61.46 1bnp n TYR 49 Cb 0.52 -1.81 0.13 0.00 -0.63 0.00 0.00 39.34 37.54 1bnp n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1bnp n PRO 50 N -2.80 0.02 0.00 2.98 -0.02 -1.26 -4.92 135.00 129.00 1bnp n PRO 50 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1bnp n PRO 50 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.44 0.00 -0.34 6.00 8.25 -1.25 -4.36 115.22 122.08 1bnp n HIS 51 Ca 0.02 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.77 1bnp n HIS 51 Cb 0.06 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.67 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 8.14 -0.03 0.00 -0.41 4.81 -1.26 -4.81 118.16 124.60 1bnp n LYS 52 Ca 0.00 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1bnp n LYS 52 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1bnp n LYS 52 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1bnp n ILE 53 N -4.17 0.00 0.10 3.15 -5.35 -1.26 -3.67 119.36 108.15 1bnp n ILE 53 Ca 0.30 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.74 1bnp n ILE 53 Cb 1.15 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.06 1bnp n ILE 53 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1bnp h LYS 54 N 0.00 0.00 -2.06 6.28 1.57 -2.00 -3.50 116.57 116.86 1bnp h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bnp h LYS 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bnp h LYS 54 CO 0.00 0.82 -0.25 0.45 -0.57 0.00 0.00 179.45 179.89 1bnp n SER 55 N -3.52 -3.86 0.00 0.86 2.88 -1.24 -5.03 113.62 103.71 1bnp n SER 55 Ca -0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1bnp n SER 55 Cb 0.80 -2.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 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 0.50 0.11 0.56 0.46 0.00 -1.26 -4.85 105.19 100.71 1bnp n GLY 56 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.62 2.53 -0.04 4.61 0.00 -1.26 -4.16 120.51 121.57 1bnp n ALA 57 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 1bnp n ALA 57 Cb 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 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 2.36 0.08 -0.18 0.00 4.39 -1.98 -2.94 114.58 116.31 1bnp h GLU 58 Ca 0.00 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1bnp h GLU 58 Cb 0.51 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1bnp h GLU 58 CO 0.00 0.97 0.26 0.00 -1.16 0.00 0.00 179.01 179.09 1bnp h ALA 59 N 0.11 1.70 0.19 3.43 0.00 -1.97 0.45 119.26 123.18 1bnp h ALA 59 Ca -0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1bnp h ALA 59 Cb 1.05 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1bnp h ALA 59 CO 0.03 -0.36 -1.38 0.87 0.00 0.00 0.00 179.25 178.42 1bnp h LYS 60 N 0.00 0.39 -0.04 0.00 1.79 -1.77 -3.20 116.57 113.74 1bnp h LYS 60 Ca 0.09 -0.67 0.01 0.00 -2.18 0.00 0.00 60.65 57.89 1bnp h LYS 60 Cb 0.61 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1bnp h LYS 60 CO -0.00 1.32 0.05 1.57 -1.08 0.00 0.00 179.45 181.31 1bnp h LYS 61 N 0.11 0.00 -6.69 3.15 5.09 -0.72 -3.44 116.57 114.07 1bnp h LYS 61 Ca -0.20 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 60.01 1bnp h LYS 61 Cb 2.07 0.00 0.22 0.00 0.10 0.00 0.00 32.23 34.61 1bnp h LYS 61 CO 0.23 0.00 -0.71 1.28 -2.09 0.00 0.00 179.45 178.17 1bnp n LEU 62 N -3.72 -0.81 0.14 7.07 4.77 -1.13 -4.77 117.00 118.55 1bnp n LEU 62 Ca -0.02 0.33 0.19 0.00 -0.03 0.00 0.00 56.01 56.48 1bnp n LEU 62 Cb 0.14 -1.16 0.73 0.00 -2.33 0.00 0.00 43.42 40.81 1bnp n LEU 62 CO 0.26 -3.87 1.17 -0.65 -1.33 0.00 0.00 177.39 172.96 1bnp h PRO 63 N -1.42 0.00 0.00 3.23 0.11 -1.90 -3.45 132.00 128.57 1bnp h PRO 63 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bnp h PRO 63 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1bnp h PRO 63 CO 0.34 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 1bnp n GLY 64 N -1.44 3.46 0.75 -0.55 0.00 -1.26 -5.11 105.19 101.04 1bnp n GLY 64 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 0.57 -0.38 1.61 0.31 -1.26 -4.91 118.33 114.26 1bnp n VAL 65 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1bnp n VAL 65 Cb 0.00 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 2.95 4.33 0.00 2.92 0.00 -1.26 -4.78 105.19 109.35 1bnp n GLY 66 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1bnp n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bnp n THR 67 N 0.00 0.00 -1.25 2.61 -2.24 -1.26 -4.80 114.28 107.34 1bnp n THR 67 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1bnp n THR 67 Cb 0.00 -0.49 0.16 0.00 -2.10 0.00 0.00 70.33 67.90 1bnp n THR 67 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1bnp n LYS 68 N -2.16 1.38 0.04 -0.78 2.85 -1.26 -4.64 118.16 113.60 1bnp n LYS 68 Ca 0.00 -2.82 0.02 0.00 -1.05 0.00 0.00 58.31 54.46 1bnp n LYS 68 Cb 0.40 -1.54 -0.07 0.00 -0.65 0.00 0.00 35.03 33.18 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1bnp n ILE 69 N -1.33 1.07 -0.02 0.58 5.41 -1.26 -3.93 119.36 119.88 1bnp n ILE 69 Ca 0.17 -0.66 0.02 0.00 1.00 0.00 0.00 62.75 63.28 1bnp n ILE 69 Cb 0.66 -0.65 0.36 0.00 -0.71 0.00 0.00 39.64 39.30 1bnp n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h ALA 70 N 1.54 1.56 -0.21 -1.39 0.00 -1.93 -0.66 119.26 118.17 1bnp h ALA 70 Ca -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1bnp h ALA 70 Cb 1.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1bnp h ALA 70 CO 0.04 0.35 -0.09 1.49 0.00 0.00 0.00 179.25 181.04 1bnp h GLU 71 N 0.58 0.32 -0.03 0.00 4.57 -1.91 -1.32 114.58 116.80 1bnp h GLU 71 Ca 0.15 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1bnp h GLU 71 Cb 0.07 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1bnp h GLU 71 CO -0.02 0.42 -0.30 0.87 -1.18 0.00 0.00 179.01 178.80 1bnp h LYS 72 N 0.31 0.06 0.45 1.92 1.57 -1.29 -1.62 116.57 117.97 1bnp h LYS 72 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1bnp h LYS 72 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1bnp h LYS 72 CO 0.02 0.36 -0.21 0.82 -0.57 0.00 0.00 179.45 179.86 1bnp h ILE 73 N 0.05 0.56 0.00 1.86 5.03 -1.01 -1.76 117.51 122.24 1bnp h ILE 73 Ca 0.01 -0.12 -0.02 0.00 -0.12 0.00 0.00 64.86 64.61 1bnp h ILE 73 Cb 0.56 0.62 -0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1bnp h ILE 73 CO 0.04 0.02 -0.08 -0.78 -0.68 0.00 0.00 178.15 176.68 1bnp h ASP 74 N -0.67 0.00 -0.48 1.72 3.58 -1.43 -1.89 116.42 117.25 1bnp h ASP 74 Ca -0.06 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.30 1bnp h ASP 74 Cb 0.50 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1bnp h ASP 74 CO 0.10 0.08 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.43 1bnp h GLU 75 N 0.00 0.91 -0.34 0.28 4.22 -0.47 0.64 114.58 119.83 1bnp h GLU 75 Ca -0.00 -0.28 -0.01 0.00 0.08 0.00 0.00 59.36 59.15 1bnp h GLU 75 Cb 0.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1bnp h GLU 75 CO 0.01 0.92 0.18 0.74 -2.18 0.00 0.00 179.01 178.68 1bnp h PHE 76 N 0.84 0.47 -0.19 0.92 0.04 -0.59 -2.47 116.94 115.95 1bnp h PHE 76 Ca 0.15 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1bnp h PHE 76 Cb 0.53 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1bnp h PHE 76 CO 0.03 0.38 0.00 1.28 -0.60 0.00 0.00 178.31 179.41 1bnp n LEU 77 N -4.77 2.10 -0.06 1.54 4.77 -1.10 -4.37 117.00 115.10 1bnp n LEU 77 Ca -0.01 -0.86 -0.04 0.00 -0.03 0.00 0.00 56.01 55.07 1bnp n LEU 77 Cb 0.09 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1bnp n LEU 77 CO 0.35 0.43 -0.29 0.00 -1.33 0.00 0.00 177.39 176.55 1bnp n ALA 78 N 0.61 0.38 -2.89 -1.18 0.00 0.22 -5.07 120.51 112.59 1bnp n ALA 78 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1bnp n ALA 78 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1bnp n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bnp n THR 79 N -4.15 0.00 0.00 0.00 -2.24 -1.09 -4.97 114.28 101.83 1bnp n THR 79 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1bnp n THR 79 Cb 0.22 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.00 2.49 3.55 3.38 0.00 -1.26 -4.69 105.19 108.66 1bnp n GLY 80 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.77 3.22 0.61 1.61 -0.14 -1.26 -4.83 119.74 118.18 1bnp s LYS 81 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 1bnp s LYS 81 Cb 0.00 -4.41 0.00 0.00 -1.68 0.00 0.00 37.83 31.74 1bnp s LYS 81 CO 0.00 -2.21 0.00 1.28 -0.76 0.00 0.00 175.35 173.66 1bnp n LEU 82 N 9.56 -1.03 0.15 3.17 4.32 -1.26 -4.00 117.00 127.91 1bnp n LEU 82 Ca 0.10 2.39 -0.14 0.00 -0.02 0.00 0.00 56.01 58.34 1bnp n LEU 82 Cb 0.49 -3.58 -0.08 0.00 -1.62 0.00 0.00 43.42 38.63 1bnp n LEU 82 CO 0.70 -2.44 0.64 0.03 -1.22 0.00 0.00 177.39 175.10 1bnp h ARG 83 N -1.45 -0.36 -4.29 3.23 2.47 -2.04 -3.38 114.38 108.55 1bnp h ARG 83 Ca -0.18 0.02 -0.68 0.00 -1.26 0.00 0.00 59.98 57.88 1bnp h ARG 83 Cb 1.41 0.08 -0.36 0.00 -1.65 0.00 0.00 29.97 29.45 1bnp h ARG 83 CO 0.07 -0.09 -0.56 -1.59 0.56 0.00 0.00 179.97 178.37 1bnp s LYS 84 N -5.16 2.00 0.58 0.04 -2.85 -1.26 -4.94 119.74 108.14 1bnp s LYS 84 Ca -0.15 -2.01 0.28 0.00 -1.00 0.00 0.00 55.97 53.09 1bnp s LYS 84 Cb 0.03 -3.52 1.73 0.00 -2.06 0.00 0.00 37.83 34.01 1bnp s LYS 84 CO 0.59 -1.07 2.23 1.37 0.10 0.00 0.00 175.35 178.57 1bnp h LEU 85 N 7.68 0.00 0.00 2.77 -0.00 -1.76 -3.41 115.31 120.60 1bnp h LEU 85 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1bnp h LEU 85 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1bnp h LEU 85 CO 0.67 0.02 0.00 1.21 -0.00 0.00 0.00 178.44 180.33 1bnp n GLU 86 N -3.90 0.00 0.00 0.17 2.13 -1.26 -5.12 120.64 112.66 1bnp n GLU 86 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1bnp n GLU 86 Cb 0.10 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.81 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35