#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 -6.26 -3.78 3.17 2.88 -1.26 -4.98 113.62 103.39 1bnp n SER 2 Ca 0.00 -0.42 -0.23 0.00 -1.33 0.00 0.00 58.87 56.89 1bnp n SER 2 Cb 0.00 -4.97 -0.08 0.00 -0.75 0.00 0.00 64.21 58.41 1bnp n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1bnp s LYS 3 N -6.04 1.84 0.28 -1.46 1.02 -1.26 -5.00 119.74 109.13 1bnp s LYS 3 Ca 0.46 -2.10 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1bnp s LYS 3 Cb -0.20 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1bnp s LYS 3 CO 0.57 -0.56 0.00 -2.13 -0.92 0.00 0.00 175.35 172.31 1bnp n ARG 4 N -0.77 -4.23 -3.53 1.68 3.00 -1.26 -4.72 116.66 106.83 1bnp n ARG 4 Ca 0.00 3.06 -0.21 0.00 -0.00 0.00 0.00 57.85 60.70 1bnp n ARG 4 Cb 0.64 -3.33 0.08 0.00 0.00 0.00 0.00 32.46 29.85 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 0.54 -7.44 -2.13 -0.14 4.81 -1.26 -4.98 118.16 107.56 1bnp n LYS 5 Ca 0.00 0.83 -0.32 0.00 -0.87 0.00 0.00 58.31 57.96 1bnp n LYS 5 Cb 0.00 -5.86 -0.01 0.00 0.02 0.00 0.00 35.03 29.18 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 -3.33 3.08 1.30 3.14 0.00 -1.26 -5.04 121.76 119.64 1bnp s ALA 6 Ca 0.37 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1bnp s ALA 6 Cb -0.16 -3.10 0.33 0.00 0.00 0.00 0.00 23.12 20.19 1bnp s ALA 6 CO 0.72 -0.47 0.98 -1.25 0.00 0.00 0.00 175.76 175.74 1bnp s PRO 7 N -4.62 -1.96 0.05 0.00 0.04 -1.26 -4.95 135.00 122.29 1bnp s PRO 7 Ca 0.57 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1bnp s PRO 7 Cb -0.11 -1.46 -0.30 0.00 0.04 0.00 0.00 34.50 32.67 1bnp s PRO 7 CO 0.43 -4.33 1.08 0.37 0.04 0.00 0.00 177.00 174.58 1bnp h GLN 8 N -3.04 0.60 -4.93 4.56 4.15 -2.05 -3.43 115.11 110.97 1bnp h GLN 8 Ca -0.55 -0.84 -0.65 0.00 0.77 0.00 0.00 58.65 57.38 1bnp h GLN 8 Cb 1.34 0.29 -0.23 0.00 0.21 0.00 0.00 27.48 29.08 1bnp h GLN 8 CO 0.41 1.39 -0.63 -2.00 -1.93 0.00 0.00 178.83 176.06 1bnp s GLU 9 N -2.90 3.56 0.16 1.69 2.12 -1.26 -4.91 118.70 117.15 1bnp s GLU 9 Ca -0.10 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1bnp s GLU 9 Cb 0.05 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1bnp s GLU 9 CO 0.93 -0.22 0.00 0.25 -0.54 0.00 0.00 175.26 175.68 1bnp n THR 10 N 4.91 0.23 -1.63 -1.70 -2.24 -1.26 -4.83 114.28 107.76 1bnp n THR 10 Ca -0.16 0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1bnp n THR 10 Cb 0.51 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bnp s LEU 11 N -6.40 3.09 0.64 3.22 1.43 -1.26 -4.88 118.68 114.52 1bnp s LEU 11 Ca 0.00 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1bnp s LEU 11 Cb 0.00 -4.42 0.09 0.00 0.03 0.00 0.00 46.19 41.89 1bnp s LEU 11 CO 0.00 -1.39 0.89 0.20 0.23 0.00 0.00 176.35 176.27 1bnp s ASN 12 N -3.89 4.78 0.00 2.29 -0.87 -1.26 -4.99 114.94 111.01 1bnp s ASN 12 Ca 0.58 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 1bnp s ASN 12 Cb -0.13 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.81 1bnp s ASN 12 CO 0.55 -1.53 0.00 0.61 -2.57 0.00 0.00 177.10 174.16 1bnp n GLY 13 N -2.58 -2.56 0.00 0.66 0.00 -1.26 -4.98 105.19 94.48 1bnp n GLY 13 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.46 1.95 0.15 -0.02 0.00 -1.26 -4.89 105.19 100.67 1bnp n GLY 14 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.93 117.51 114.06 1bnp h ILE 15 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 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 0.03 0.00 0.00 0.00 0.00 178.15 178.18 1bnp h THR 16 N -0.76 0.00 -0.02 -0.27 1.03 -1.92 -1.14 112.91 109.84 1bnp h THR 16 Ca -0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.13 1bnp h THR 16 Cb 0.26 0.94 0.01 0.00 -1.07 0.00 0.00 68.15 68.29 1bnp h THR 16 CO 0.06 0.00 -0.95 -0.78 -0.01 0.00 0.00 175.52 173.84 1bnp h ASP 17 N 0.00 0.69 0.94 0.00 3.58 -1.98 -2.19 116.42 117.46 1bnp h ASP 17 Ca 0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1bnp h ASP 17 Cb 0.07 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1bnp h ASP 17 CO 0.00 1.33 -0.52 0.23 -2.88 0.00 0.00 179.24 177.40 1bnp n MET 18 N -3.80 0.27 0.03 0.28 2.81 -0.53 -2.62 117.12 113.56 1bnp n MET 18 Ca -0.08 0.10 -0.17 0.00 -1.81 0.00 0.00 57.70 55.74 1bnp n MET 18 Cb 0.84 -1.69 -0.14 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.35 -0.47 4.03 4.07 -1.28 -2.97 115.31 119.04 1bnp h LEU 19 Ca 0.00 -0.60 -0.15 0.00 0.08 0.00 0.00 57.88 57.20 1bnp h LEU 19 Cb 0.73 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1bnp h LEU 19 CO 0.00 1.52 -0.73 0.58 -1.08 0.00 0.00 178.44 178.73 1bnp h VAL 20 N 0.06 1.48 -0.24 1.22 2.07 -1.49 -3.00 116.25 116.34 1bnp h VAL 20 Ca -0.31 -2.54 -0.16 0.00 0.82 0.00 0.00 66.70 64.51 1bnp h VAL 20 Cb 2.03 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 34.18 1bnp h VAL 20 CO 0.13 0.72 -0.50 -0.08 0.02 0.00 0.00 177.57 177.86 1bnp h GLU 21 N 0.00 0.65 -0.52 1.57 4.81 -1.60 -0.44 114.58 119.05 1bnp h GLU 21 Ca -0.01 -0.39 0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1bnp h GLU 21 Cb 1.33 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.69 1bnp h GLU 21 CO 0.09 1.00 0.21 1.25 -0.73 0.00 0.00 179.01 180.84 1bnp h LEU 22 N 0.51 0.25 -0.82 1.64 7.12 -1.39 0.11 115.31 122.74 1bnp h LEU 22 Ca 0.02 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.03 1bnp h LEU 22 Cb 1.05 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 1bnp h LEU 22 CO 0.10 0.17 -0.27 0.00 -0.13 0.00 0.00 178.44 178.31 1bnp h ALA 23 N 1.33 0.95 0.00 1.25 0.00 -1.41 -2.81 119.26 118.57 1bnp h ALA 23 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 23 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 23 CO -0.22 0.34 0.00 -1.71 0.00 0.00 0.00 179.25 177.66 1bnp n ASN 24 N -3.34 0.00 -0.37 0.00 5.15 0.31 -3.89 115.26 113.11 1bnp n ASN 24 Ca 0.01 -0.46 0.29 0.00 -0.60 0.00 0.00 54.58 53.82 1bnp n ASN 24 Cb 0.50 -0.15 0.57 0.00 -0.53 0.00 0.00 39.78 40.17 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 0.00 0.61 -2.44 1.20 -1.00 -1.08 -3.44 116.94 110.78 1bnp h PHE 25 Ca 0.00 0.02 -0.28 0.00 2.81 0.00 0.00 57.97 60.53 1bnp h PHE 25 Cb 0.13 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.46 1bnp h PHE 25 CO 0.00 -0.07 -0.30 -1.91 -1.61 0.00 0.00 178.31 174.42 1bnp n GLU 26 N -4.67 -1.69 0.09 1.51 2.13 -1.25 -4.48 120.64 112.28 1bnp n GLU 26 Ca 0.31 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.87 1bnp n GLU 26 Cb 1.12 -5.16 0.00 0.00 0.27 0.00 0.00 31.44 27.67 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bnp n LYS 27 N -2.34 0.00 -0.50 5.31 3.00 -1.26 -4.82 118.16 117.56 1bnp n LYS 27 Ca -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.19 1bnp n LYS 27 Cb 0.53 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.77 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1bnp n ASN 28 N -2.87 3.56 0.00 3.14 2.85 -1.26 -4.38 115.26 116.30 1bnp n ASN 28 Ca 0.00 -2.52 0.00 0.00 -0.11 0.00 0.00 54.58 51.95 1bnp n ASN 28 Cb 0.00 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.41 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 0.30 0.00 -2.47 3.44 0.31 -1.26 -5.00 118.33 113.65 1bnp n VAL 29 Ca 0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.09 1bnp n VAL 29 Cb 0.78 -0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.69 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1bnp s SER 30 N -1.80 6.41 0.00 4.52 1.04 -1.26 -4.21 113.70 118.40 1bnp s SER 30 Ca 0.00 -2.10 0.00 0.00 0.48 0.00 0.00 55.95 54.33 1bnp s SER 30 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1bnp s SER 30 CO 0.00 -1.61 0.61 0.00 0.98 0.00 0.00 173.24 173.22 1bnp n GLN 31 N 8.47 0.00 -2.65 4.02 10.64 -1.26 -4.67 117.38 131.92 1bnp n GLN 31 Ca 0.46 -0.48 -0.06 0.00 -1.83 0.00 0.00 57.00 55.08 1bnp n GLN 31 Cb 0.47 0.33 0.02 0.00 -0.86 0.00 0.00 30.24 30.20 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1bnp n ALA 32 N 0.00 -0.47 -2.48 2.61 0.00 -1.26 -5.04 120.51 113.87 1bnp n ALA 32 Ca -0.13 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 1bnp n ALA 32 Cb 0.51 -1.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.10 5.00 0.00 0.00 1.01 -1.26 -5.01 121.20 117.85 1bnp s ILE 33 Ca 0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 1bnp s ILE 33 Cb -0.04 -3.80 -0.21 0.00 0.01 0.00 0.00 42.46 38.41 1bnp s ILE 33 CO 0.21 -0.54 1.14 1.12 0.00 0.00 0.00 174.94 176.88 1bnp h HIS 34 N 1.02 0.53 0.00 3.97 2.07 -1.96 -3.05 115.15 117.73 1bnp h HIS 34 Ca -0.48 -0.26 -0.03 0.00 -2.85 0.00 0.00 60.37 56.75 1bnp h HIS 34 Cb 1.20 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 31.11 1bnp h HIS 34 CO 0.56 1.04 -0.14 -0.22 -3.07 0.00 0.00 177.93 176.11 1bnp h LYS 35 N -0.14 0.00 -0.01 5.12 3.64 -1.97 -2.97 116.57 120.24 1bnp h LYS 35 Ca -0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1bnp h LYS 35 Cb 1.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1bnp h LYS 35 CO 0.09 0.14 0.01 -0.92 -2.27 0.00 0.00 179.45 176.49 1bnp h TYR 36 N 0.00 0.01 0.00 1.91 3.20 -1.80 -1.01 116.97 119.28 1bnp h TYR 36 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bnp h TYR 36 Cb 0.54 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1bnp h TYR 36 CO 0.00 0.04 0.00 -0.97 -1.64 0.00 0.00 178.16 175.59 1bnp h ASN 37 N -0.01 0.00 -0.73 -2.11 -0.00 -1.50 -3.01 115.58 108.22 1bnp h ASN 37 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.30 56.40 1bnp h ASN 37 Cb 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.28 1bnp h ASN 37 CO -0.00 0.00 0.37 0.00 -0.00 0.00 0.00 177.43 177.79 1bnp h ALA 38 N 2.13 1.01 -0.00 1.57 0.00 -1.15 -1.62 119.26 121.19 1bnp h ALA 38 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bnp h ALA 38 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 38 CO 0.00 -0.04 -0.40 0.66 0.00 0.00 0.00 179.25 179.47 1bnp n TYR 39 N -4.86 0.00 -0.04 0.00 4.01 -1.14 -2.90 117.16 112.23 1bnp n TYR 39 Ca 0.12 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 1bnp n TYR 39 Cb 0.28 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.73 0.07 -0.07 -0.72 9.65 -1.37 -2.03 114.38 120.64 1bnp h ARG 40 Ca 0.00 -0.12 -0.23 0.00 -1.10 0.00 0.00 59.98 58.54 1bnp h ARG 40 Cb 0.51 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1bnp h ARG 40 CO 0.00 1.06 -0.87 0.87 2.80 0.00 0.00 179.97 183.83 1bnp h LYS 41 N -0.86 0.61 -0.21 0.20 1.79 -1.61 -2.90 116.57 113.60 1bnp h LYS 41 Ca -0.04 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 57.85 1bnp h LYS 41 Cb 1.15 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1bnp h LYS 41 CO 0.03 1.18 0.06 0.00 -1.08 0.00 0.00 179.45 179.64 1bnp h ALA 42 N 0.64 0.27 -0.14 3.86 0.00 -1.38 -2.37 119.26 120.14 1bnp h ALA 42 Ca -0.07 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 42 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1bnp h ALA 42 CO 0.16 -0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.42 1bnp h ALA 43 N 0.88 2.07 -0.47 0.00 0.00 -1.40 0.11 119.26 120.45 1bnp h ALA 43 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 43 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bnp h ALA 43 CO -0.00 -0.17 0.11 0.77 0.00 0.00 0.00 179.25 179.96 1bnp h SER 44 N 0.00 0.71 0.15 0.00 0.02 -1.21 -2.30 113.55 110.92 1bnp h SER 44 Ca 0.06 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1bnp h SER 44 Cb 0.27 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1bnp h SER 44 CO -0.00 0.76 -0.17 0.55 -1.14 0.00 0.00 176.83 176.82 1bnp n VAL 45 N -4.49 0.00 -0.07 2.27 3.14 -0.58 -3.97 118.33 114.62 1bnp n VAL 45 Ca 0.01 -0.17 -0.06 0.00 -2.96 0.00 0.00 64.34 61.16 1bnp n VAL 45 Cb 0.22 0.44 -0.02 0.00 -1.06 0.00 0.00 33.84 33.42 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 -0.37 1.43 -0.30 1.55 2.08 0.29 -3.28 119.36 120.77 1bnp n ILE 46 Ca 0.14 0.20 0.08 0.00 0.56 0.00 0.00 62.75 63.73 1bnp n ILE 46 Cb 0.35 -2.37 0.30 0.00 -0.75 0.00 0.00 39.64 37.18 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 -0.97 1.65 -0.21 -1.39 0.00 -1.62 0.26 119.26 116.98 1bnp h ALA 47 Ca -0.03 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1bnp h ALA 47 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1bnp h ALA 47 CO -0.02 0.14 -0.36 0.87 0.00 0.00 0.00 179.25 179.88 1bnp h LYS 48 N 0.87 0.47 -6.89 0.00 1.57 -1.76 -3.44 116.57 107.38 1bnp h LYS 48 Ca 0.45 -0.21 -0.55 0.00 -1.87 0.00 0.00 60.65 58.46 1bnp h LYS 48 Cb 0.51 -0.01 0.19 0.00 0.08 0.00 0.00 32.23 32.99 1bnp h LYS 48 CO -0.21 0.76 -0.08 0.98 -0.57 0.00 0.00 179.45 180.33 1bnp n TYR 49 N -4.05 0.10 0.17 -1.35 9.36 0.91 -4.82 117.16 117.49 1bnp n TYR 49 Ca -0.01 0.37 0.02 0.00 3.32 0.00 0.00 57.90 61.60 1bnp n TYR 49 Cb 0.47 -2.00 0.10 0.00 -0.63 0.00 0.00 39.34 37.29 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 -1.80 0.01 -0.20 2.98 -0.02 -1.26 -4.96 135.00 129.74 1bnp n PRO 50 Ca 0.11 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1bnp n PRO 50 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.46 -0.54 -1.36 6.00 8.25 -1.26 -5.06 115.22 119.78 1bnp n HIS 51 Ca 0.01 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1bnp n HIS 51 Cb 0.05 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1bnp n HIS 51 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bnp n LYS 52 N -2.60 -3.76 -3.71 -0.41 5.02 -1.26 -4.96 118.16 106.47 1bnp n LYS 52 Ca -0.01 2.85 -0.23 0.00 -2.02 0.00 0.00 58.31 58.91 1bnp n LYS 52 Cb 0.10 -3.37 -0.17 0.00 -0.02 0.00 0.00 35.03 31.56 1bnp n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bnp s ILE 53 N -4.18 0.18 -0.35 -0.18 -1.09 -1.26 -5.02 121.20 109.30 1bnp s ILE 53 Ca 0.00 0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1bnp s ILE 53 Cb 0.00 -0.48 0.29 0.00 -1.58 0.00 0.00 42.46 40.69 1bnp s ILE 53 CO 0.00 0.10 1.89 2.29 -1.23 0.00 0.00 174.94 177.99 1bnp n LYS 54 N 5.20 1.90 0.01 2.79 2.85 -1.26 -4.59 118.16 125.06 1bnp n LYS 54 Ca -0.06 -1.85 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 1bnp n LYS 54 Cb 0.50 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bnp n SER 55 N -0.04 -0.16 0.00 -5.58 2.88 -1.26 -5.05 113.62 104.42 1bnp n SER 55 Ca 0.36 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1bnp n SER 55 Cb 0.75 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 -1.46 4.07 0.30 0.46 0.00 -1.26 -4.93 105.19 102.37 1bnp n GLY 56 Ca 0.00 -0.86 0.18 0.00 0.00 0.00 0.00 46.02 45.33 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp h ALA 57 N 0.00 1.18 -0.16 4.61 0.00 -1.98 -2.69 119.26 120.21 1bnp h ALA 57 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 57 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bnp h ALA 57 CO 0.00 0.04 0.08 0.93 0.00 0.00 0.00 179.25 180.30 1bnp h GLU 58 N 0.00 0.22 0.00 0.00 5.08 -1.99 -1.58 114.58 116.31 1bnp h GLU 58 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1bnp h GLU 58 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1bnp h GLU 58 CO 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1bnp h ALA 59 N 0.97 1.00 0.04 3.43 0.00 -1.87 -2.78 119.26 120.04 1bnp h ALA 59 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 59 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1bnp h ALA 59 CO -0.01 0.00 -0.26 0.87 0.00 0.00 0.00 179.25 179.85 1bnp h LYS 60 N 0.00 0.10 0.00 0.00 1.57 -1.35 -3.29 116.57 113.59 1bnp h LYS 60 Ca 0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1bnp h LYS 60 Cb 0.08 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1bnp h LYS 60 CO 0.00 1.07 -0.06 1.57 -0.57 0.00 0.00 179.45 181.45 1bnp h LYS 61 N -0.78 0.00 -6.01 3.15 2.10 -1.23 -3.42 116.57 110.38 1bnp h LYS 61 Ca -0.04 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.96 1bnp h LYS 61 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1bnp h LYS 61 CO 0.05 0.06 1.41 1.28 -2.00 0.00 0.00 179.45 180.25 1bnp n LEU 62 N -3.66 2.60 -4.56 7.07 4.77 -1.15 -4.80 117.00 117.26 1bnp n LEU 62 Ca -0.02 0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1bnp n LEU 62 Cb 0.17 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 1bnp n LEU 62 CO 0.28 -0.66 1.28 -2.16 -1.33 0.00 0.00 177.39 174.81 1bnp s PRO 63 N 6.04 1.98 0.00 3.23 0.04 -1.26 -2.07 135.00 142.96 1bnp s PRO 63 Ca 1.05 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1bnp s PRO 63 Cb -0.68 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1bnp s PRO 63 CO 0.45 -4.01 0.00 0.41 0.04 0.00 0.00 177.00 173.90 1bnp n GLY 64 N 6.80 1.69 3.30 0.56 0.00 -1.26 -4.84 105.19 111.45 1bnp n GLY 64 Ca 0.44 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 1bnp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bnp s VAL 65 N 0.00 5.30 0.00 1.61 1.01 -0.88 -2.73 120.40 124.71 1bnp s VAL 65 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1bnp s VAL 65 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1bnp s VAL 65 CO 0.00 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 174.72 1bnp n GLY 66 N 4.08 -3.47 0.07 4.51 0.00 -1.26 -4.51 105.19 104.62 1bnp n GLY 66 Ca 0.09 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1bnp n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp h THR 67 N -1.17 1.34 -0.23 2.61 1.03 -1.93 -1.91 112.91 112.65 1bnp h THR 67 Ca 0.00 -3.05 -0.10 0.00 -0.01 0.00 0.00 66.41 63.25 1bnp h THR 67 Cb 0.00 2.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.72 1bnp h THR 67 CO 0.00 0.76 -0.30 0.11 -0.01 0.00 0.00 175.52 176.08 1bnp h LYS 68 N 0.00 0.47 0.04 0.00 1.79 -2.02 -2.84 116.57 114.01 1bnp h LYS 68 Ca -0.09 -0.19 -0.28 0.00 -2.18 0.00 0.00 60.65 57.90 1bnp h LYS 68 Cb 1.80 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.39 1bnp h LYS 68 CO 0.11 0.72 -1.53 0.82 -1.08 0.00 0.00 179.45 178.49 1bnp h ILE 69 N 0.41 1.09 -0.00 1.86 2.04 -1.89 -3.30 117.51 117.72 1bnp h ILE 69 Ca 0.05 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1bnp h ILE 69 Cb 0.73 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1bnp h ILE 69 CO 0.06 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.91 1bnp h ALA 70 N 0.81 1.53 -0.64 1.87 0.00 -1.20 -1.15 119.26 120.47 1bnp h ALA 70 Ca -0.22 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1bnp h ALA 70 Cb 1.96 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1bnp h ALA 70 CO 0.11 -0.01 0.14 1.49 0.00 0.00 0.00 179.25 180.99 1bnp h GLU 71 N 0.00 1.01 0.00 0.00 4.81 -1.58 -2.00 114.58 116.81 1bnp h GLU 71 Ca 0.00 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 1bnp h GLU 71 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1bnp h GLU 71 CO -0.00 0.90 -0.40 -0.22 -0.73 0.00 0.00 179.01 178.56 1bnp h LYS 72 N 0.96 0.00 -0.20 1.92 1.63 -1.40 -2.29 116.57 117.18 1bnp h LYS 72 Ca 0.20 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1bnp h LYS 72 Cb 0.36 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1bnp h LYS 72 CO 0.00 0.40 -0.11 0.82 -3.45 0.00 0.00 179.45 177.11 1bnp h ILE 73 N 0.00 1.31 0.00 2.00 1.08 -1.16 -2.88 117.51 117.86 1bnp h ILE 73 Ca -0.00 -1.19 -0.09 0.00 -0.39 0.00 0.00 64.86 63.19 1bnp h ILE 73 Cb 0.94 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1bnp h ILE 73 CO 0.05 0.36 -0.41 0.44 -0.69 0.00 0.00 178.15 177.91 1bnp h ASP 74 N 0.12 0.00 -0.98 1.72 3.32 -1.39 -2.89 116.42 116.33 1bnp h ASP 74 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1bnp h ASP 74 Cb 0.61 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1bnp h ASP 74 CO 0.03 0.41 0.63 -0.08 -1.72 0.00 0.00 179.24 178.51 1bnp h GLU 75 N 0.00 1.30 -0.05 3.56 4.57 -1.20 0.82 114.58 123.58 1bnp h GLU 75 Ca -0.00 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1bnp h GLU 75 Cb 0.81 -0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1bnp h GLU 75 CO 0.05 0.88 0.01 0.74 -1.18 0.00 0.00 179.01 179.51 1bnp h PHE 76 N 1.33 0.08 -0.44 0.92 0.04 -1.35 -2.79 116.94 114.73 1bnp h PHE 76 Ca 0.36 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 1bnp h PHE 76 Cb -0.12 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 1bnp h PHE 76 CO 0.00 0.29 0.10 1.28 -0.60 0.00 0.00 178.31 179.38 1bnp n LEU 77 N -4.92 4.40 0.09 1.54 4.77 -0.96 -4.19 117.00 117.73 1bnp n LEU 77 Ca -0.07 -2.26 -0.05 0.00 -0.03 0.00 0.00 56.01 53.60 1bnp n LEU 77 Cb 0.15 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1bnp n LEU 77 CO 0.34 0.58 0.30 0.00 -1.33 0.00 0.00 177.39 177.27 1bnp h ALA 78 N 2.85 0.62 -3.00 -1.18 0.00 0.96 -3.47 119.26 116.04 1bnp h ALA 78 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1bnp h ALA 78 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1bnp h ALA 78 CO 0.41 0.98 0.00 2.41 0.00 0.00 0.00 179.25 183.06 1bnp n THR 79 N -3.60 0.00 -1.99 0.00 -1.04 -1.26 -4.86 114.28 101.53 1bnp n THR 79 Ca -0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.83 1bnp n THR 79 Cb 0.79 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.26 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bnp n GLY 80 N 1.65 0.42 0.00 3.41 0.00 -1.26 -4.89 105.19 104.53 1bnp n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bnp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnp n LYS 81 N -2.52 0.00 -1.25 1.61 5.02 -1.26 -4.70 118.16 115.06 1bnp n LYS 81 Ca -0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.07 1bnp n LYS 81 Cb 0.59 -0.32 -0.04 0.00 -0.02 0.00 0.00 35.03 35.25 1bnp n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bnp n LEU 82 N -0.64 -0.60 -3.15 -0.35 4.77 -1.26 -5.05 117.00 110.72 1bnp n LEU 82 Ca 0.00 -2.10 0.05 0.00 -0.03 0.00 0.00 56.01 53.92 1bnp n LEU 82 Cb 0.00 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1bnp n LEU 82 CO 0.00 1.31 0.31 -0.60 -1.33 0.00 0.00 177.39 177.08 1bnp s ARG 83 N -0.06 0.42 0.23 3.23 3.52 -1.26 -5.17 118.95 119.87 1bnp s ARG 83 Ca 0.08 0.67 0.09 0.00 -0.13 0.00 0.00 55.73 56.43 1bnp s ARG 83 Cb 0.11 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1bnp s ARG 83 CO -0.04 -0.54 0.01 -1.59 -0.81 0.00 0.00 175.30 172.33 1bnp s LYS 84 N 2.89 2.38 -0.29 5.12 -2.85 -1.26 -4.80 119.74 120.93 1bnp s LYS 84 Ca 0.13 -1.28 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 1bnp s LYS 84 Cb -0.12 -2.26 -0.02 0.00 -2.06 0.00 0.00 37.83 33.37 1bnp s LYS 84 CO -0.19 0.40 1.73 -0.51 0.10 0.00 0.00 175.35 176.88 1bnp s LEU 85 N -3.43 3.66 -0.01 2.77 1.43 -1.26 -4.86 118.68 116.97 1bnp s LEU 85 Ca 0.30 1.43 -0.20 0.00 -1.03 0.00 0.00 54.13 54.63 1bnp s LEU 85 Cb -0.08 -3.53 -0.28 0.00 0.03 0.00 0.00 46.19 42.34 1bnp s LEU 85 CO 0.20 -1.53 1.02 -0.33 0.23 0.00 0.00 176.35 175.94 1bnp h GLU 86 N 12.03 0.41 0.00 1.70 5.08 -2.06 -3.56 114.58 128.17 1bnp h GLU 86 Ca -0.34 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.47 1bnp h GLU 86 Cb 1.16 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1bnp h GLU 86 CO 1.02 1.21 0.00 0.36 -1.00 0.00 0.00 179.01 180.60