#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 5.27 0.38 7.83 1.04 -1.26 -5.12 113.70 121.85 1bnp s SER 2 Ca 0.00 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.60 1bnp s SER 2 Cb 0.00 -1.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 1bnp s SER 2 CO 0.00 -1.17 0.05 -1.59 0.98 0.00 0.00 173.24 171.52 1bnp s LYS 3 N -4.83 1.85 0.21 4.02 -2.85 -1.26 -5.16 119.74 111.71 1bnp s LYS 3 Ca 0.57 -2.07 0.02 0.00 -1.00 0.00 0.00 55.97 53.48 1bnp s LYS 3 Cb -0.10 -1.09 0.04 0.00 -2.06 0.00 0.00 37.83 34.61 1bnp s LYS 3 CO 0.40 -0.23 0.28 0.54 0.10 0.00 0.00 175.35 176.44 1bnp n ARG 4 N -0.87 0.68 -2.88 1.78 1.74 -1.26 -5.03 116.66 110.82 1bnp n ARG 4 Ca -0.06 -0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 55.63 1bnp n ARG 4 Cb 0.66 -0.13 -0.05 0.00 -1.02 0.00 0.00 32.46 31.93 1bnp n ARG 4 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1bnp s LYS 5 N -3.01 3.43 1.09 5.56 1.02 -1.26 -5.03 119.74 121.54 1bnp s LYS 5 Ca 0.20 -0.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.01 1bnp s LYS 5 Cb -0.01 -3.97 0.24 0.00 -0.52 0.00 0.00 37.83 33.57 1bnp s LYS 5 CO 0.13 -1.25 1.06 0.00 -0.92 0.00 0.00 175.35 174.36 1bnp s ALA 6 N 3.62 0.09 1.22 5.17 0.00 -1.26 -4.98 121.76 125.63 1bnp s ALA 6 Ca 0.32 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 1bnp s ALA 6 Cb -0.12 -3.24 0.31 0.00 0.00 0.00 0.00 23.12 20.07 1bnp s ALA 6 CO 0.23 -3.48 1.01 -2.14 0.00 0.00 0.00 175.76 171.38 1bnp s PRO 7 N -4.60 -1.37 0.42 0.00 0.02 -1.26 -4.89 135.00 123.33 1bnp s PRO 7 Ca 0.67 0.74 0.12 0.00 0.02 0.00 0.00 61.00 62.55 1bnp s PRO 7 Cb -0.23 -1.51 0.88 0.00 0.02 0.00 0.00 34.50 33.66 1bnp s PRO 7 CO 0.62 -4.00 1.95 1.96 -0.33 0.00 0.00 177.00 177.20 1bnp h GLN 8 N -2.81 0.11 -5.76 5.54 4.20 -2.06 -3.40 115.11 110.92 1bnp h GLN 8 Ca -0.61 -0.02 -0.59 0.00 0.06 0.00 0.00 58.65 57.48 1bnp h GLN 8 Cb 1.34 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.02 1bnp h GLN 8 CO 0.48 0.28 0.39 -2.00 -0.67 0.00 0.00 178.83 177.31 1bnp s GLU 9 N -4.66 4.19 0.37 1.46 2.56 -1.26 -5.05 118.70 116.31 1bnp s GLU 9 Ca -0.05 0.87 0.08 0.00 0.00 0.00 0.00 54.97 55.87 1bnp s GLU 9 Cb 0.16 -3.63 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 1bnp s GLU 9 CO 0.71 -0.45 0.19 0.95 -0.56 0.00 0.00 175.26 176.11 1bnp s THR 10 N 2.61 2.85 -0.24 -1.70 -4.23 -1.26 -5.09 115.64 108.58 1bnp s THR 10 Ca 0.34 -1.62 -0.20 0.00 -1.18 0.00 0.00 61.69 59.02 1bnp s THR 10 Cb -0.16 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 1bnp s THR 10 CO 0.08 -0.12 0.60 -0.76 -0.54 0.00 0.00 174.62 173.89 1bnp s LEU 11 N -3.91 4.09 0.23 4.79 1.43 -1.26 -4.86 118.68 119.19 1bnp s LEU 11 Ca 0.40 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1bnp s LEU 11 Cb -0.01 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1bnp s LEU 11 CO 0.24 -0.31 0.00 0.59 0.23 0.00 0.00 176.35 177.09 1bnp n ASN 12 N 5.42 0.06 0.00 2.29 4.13 -1.26 -5.01 115.26 120.89 1bnp n ASN 12 Ca -0.02 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1bnp n ASN 12 Cb 0.49 0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bnp n GLY 13 N 1.89 -1.29 1.50 7.41 0.00 -1.26 -4.91 105.19 108.53 1bnp n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.77 0.02 -0.02 0.00 -1.26 -4.88 105.19 99.82 1bnp n GLY 14 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.98 -3.14 117.51 113.82 1bnp h ILE 15 Ca 0.00 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1bnp h ILE 15 Cb 0.76 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1bnp h ILE 15 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 1bnp h THR 16 N -0.29 0.26 0.32 -0.27 1.03 -1.93 -1.11 112.91 110.92 1bnp h THR 16 Ca -0.00 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1bnp h THR 16 Cb 0.01 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 1bnp h THR 16 CO 0.00 0.01 -0.15 -0.78 -0.01 0.00 0.00 175.52 174.59 1bnp h ASP 17 N 0.00 -0.36 0.87 0.00 3.58 -1.98 -2.48 116.42 116.06 1bnp h ASP 17 Ca -0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1bnp h ASP 17 Cb 0.04 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1bnp h ASP 17 CO 0.00 0.11 0.00 0.23 -2.88 0.00 0.00 179.24 176.70 1bnp n MET 18 N -5.07 0.03 -0.02 0.28 2.81 -1.12 -2.43 117.12 111.60 1bnp n MET 18 Ca -0.08 0.12 -0.17 0.00 -1.81 0.00 0.00 57.70 55.76 1bnp n MET 18 Cb 0.25 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 1bnp n MET 18 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1bnp h LEU 19 N 0.00 0.22 -1.82 4.03 7.12 -1.22 -3.10 115.31 120.53 1bnp h LEU 19 Ca 0.00 -0.95 -0.02 0.00 0.13 0.00 0.00 57.88 57.03 1bnp h LEU 19 Cb 0.44 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1bnp h LEU 19 CO 0.00 1.22 -0.12 0.58 -0.13 0.00 0.00 178.44 179.99 1bnp h VAL 20 N -0.70 0.48 -0.20 1.05 2.07 -1.42 -2.70 116.25 114.82 1bnp h VAL 20 Ca -0.09 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1bnp h VAL 20 Cb 1.32 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1bnp h VAL 20 CO 0.06 0.12 -0.08 -0.08 0.02 0.00 0.00 177.57 177.60 1bnp h GLU 21 N 0.00 0.40 -0.43 1.57 4.81 -1.49 -1.44 114.58 118.01 1bnp h GLU 21 Ca -0.00 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1bnp h GLU 21 Cb 0.39 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1bnp h GLU 21 CO 0.02 0.68 0.28 1.25 -0.73 0.00 0.00 179.01 180.51 1bnp h LEU 22 N 0.11 0.46 -0.79 1.64 6.46 -1.40 0.49 115.31 122.27 1bnp h LEU 22 Ca 0.05 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.67 1bnp h LEU 22 Cb 0.55 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1bnp h LEU 22 CO 0.03 0.33 -0.59 0.00 -0.62 0.00 0.00 178.44 177.59 1bnp h ALA 23 N 1.74 0.99 0.00 1.25 0.00 -1.38 -2.38 119.26 119.48 1bnp h ALA 23 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bnp h ALA 23 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 23 CO -0.04 0.73 0.00 0.09 0.00 0.00 0.00 179.25 180.03 1bnp n ASN 24 N -3.85 0.00 -0.33 0.00 4.13 0.11 -4.05 115.26 111.26 1bnp n ASN 24 Ca -0.01 -0.17 0.15 0.00 1.68 0.00 0.00 54.58 56.22 1bnp n ASN 24 Cb 0.59 -0.25 0.29 0.00 -1.54 0.00 0.00 39.78 38.88 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1bnp n PHE 25 N -1.25 0.63 -2.22 3.10 3.01 -0.86 -4.74 117.46 115.14 1bnp n PHE 25 Ca 0.13 1.14 -0.08 0.00 1.01 0.00 0.00 57.45 59.66 1bnp n PHE 25 Cb 0.19 -1.23 -0.01 0.00 -0.01 0.00 0.00 39.48 38.42 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 -5.39 -2.25 0.04 -1.08 4.07 -1.26 -4.50 120.64 110.27 1bnp n GLU 26 Ca 0.23 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 1bnp n GLU 26 Cb 0.76 -4.87 0.00 0.00 -0.06 0.00 0.00 31.44 27.27 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1bnp n LYS 27 N -2.46 0.00 0.13 5.31 3.00 -1.26 -4.74 118.16 118.14 1bnp n LYS 27 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.28 1bnp n LYS 27 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.57 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 0.04 3.14 -0.73 -1.94 -3.35 115.58 112.74 1bnp h ASN 28 Ca 0.00 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 57.80 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 0.31 -2.35 0.52 -0.37 0.00 0.00 177.43 175.54 1bnp n VAL 29 N -3.03 1.43 -2.43 2.57 0.31 -1.26 -4.96 118.33 110.96 1bnp n VAL 29 Ca -0.00 -0.81 -0.27 0.00 -0.01 0.00 0.00 64.34 63.24 1bnp n VAL 29 Cb 0.67 -0.66 0.02 0.00 -0.91 0.00 0.00 33.84 32.96 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 -5.70 5.94 -0.03 4.52 1.04 -1.26 -4.20 113.70 114.00 1bnp s SER 30 Ca -0.13 0.88 -0.03 0.00 0.48 0.00 0.00 55.95 57.15 1bnp s SER 30 Cb 0.07 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.18 1bnp s SER 30 CO 0.80 -0.85 0.06 0.00 0.98 0.00 0.00 173.24 174.23 1bnp n GLN 31 N -2.47 -4.72 -2.73 4.02 6.02 -1.26 -4.55 117.38 111.69 1bnp n GLN 31 Ca 0.03 3.48 -0.07 0.00 -0.01 0.00 0.00 57.00 60.43 1bnp n GLN 31 Cb 0.56 -4.54 0.03 0.00 1.02 0.00 0.00 30.24 27.30 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 1.68 -0.50 -1.44 -1.58 0.00 -1.26 -4.97 120.51 112.44 1bnp n ALA 32 Ca -0.11 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 1bnp n ALA 32 Cb 0.17 -1.80 0.06 0.00 0.00 0.00 0.00 19.45 17.87 1bnp n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bnp n ILE 33 N -2.89 2.76 0.00 0.00 -0.00 -1.26 -4.90 119.36 113.06 1bnp n ILE 33 Ca -0.03 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.27 1bnp n ILE 33 Cb 0.53 -0.93 0.00 0.00 -0.00 0.00 0.00 39.64 39.24 1bnp n ILE 33 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1bnp n HIS 34 N -2.07 -0.90 -1.35 1.39 -0.00 -1.26 -4.91 115.22 106.12 1bnp n HIS 34 Ca 0.12 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.91 1bnp n HIS 34 Cb 0.49 0.42 0.10 0.00 -0.00 0.00 0.00 29.99 31.00 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1bnp n LYS 35 N -2.34 0.93 -0.12 -0.41 0.00 -1.26 -4.75 118.16 110.22 1bnp n LYS 35 Ca 0.00 -2.18 -0.07 0.00 -0.00 0.00 0.00 58.31 56.06 1bnp n LYS 35 Cb 0.00 -1.22 0.09 0.00 -0.00 0.00 0.00 35.03 33.90 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1bnp h TYR 36 N 0.05 0.93 0.00 5.58 3.20 -1.91 -2.15 116.97 122.67 1bnp h TYR 36 Ca -0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1bnp h TYR 36 Cb 1.12 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1bnp h TYR 36 CO 0.05 0.92 0.00 0.09 -1.64 0.00 0.00 178.16 177.58 1bnp n ASN 37 N -4.15 0.42 0.06 -2.11 4.13 -1.26 -2.37 115.26 109.98 1bnp n ASN 37 Ca 0.01 0.63 -0.11 0.00 1.68 0.00 0.00 54.58 56.78 1bnp n ASN 37 Cb 0.39 -0.71 -0.01 0.00 -1.54 0.00 0.00 39.78 37.91 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 2.24 0.48 0.00 5.41 0.00 -1.74 -2.29 119.26 123.37 1bnp h ALA 38 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 1bnp h ALA 38 Cb 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 38 CO 0.00 0.79 -1.02 1.88 0.00 0.00 0.00 179.25 180.90 1bnp h TYR 39 N 0.25 0.00 -0.09 0.00 0.05 -1.56 -2.11 116.97 113.52 1bnp h TYR 39 Ca -0.05 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.50 1bnp h TYR 39 Cb 1.44 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.19 1bnp h TYR 39 CO 0.05 0.77 -0.86 -0.09 -1.05 0.00 0.00 178.16 176.99 1bnp h ARG 40 N 0.00 0.67 0.24 4.88 9.65 -1.53 -2.20 114.38 126.09 1bnp h ARG 40 Ca -0.08 -0.60 -0.33 0.00 -1.10 0.00 0.00 59.98 57.87 1bnp h ARG 40 Cb 1.65 0.14 0.03 0.00 -1.39 0.00 0.00 29.97 30.41 1bnp h ARG 40 CO 0.09 1.21 -1.49 0.87 2.80 0.00 0.00 179.97 183.45 1bnp h LYS 41 N 0.43 0.51 0.57 0.20 1.79 -1.50 -2.69 116.57 115.87 1bnp h LYS 41 Ca -0.07 -0.86 -0.03 0.00 -2.18 0.00 0.00 60.65 57.51 1bnp h LYS 41 Cb 1.48 0.32 0.01 0.00 -1.58 0.00 0.00 32.23 32.46 1bnp h LYS 41 CO 0.17 1.41 -0.27 0.00 -1.08 0.00 0.00 179.45 179.68 1bnp h ALA 42 N 0.19 -0.76 0.00 3.86 0.00 -1.45 -2.50 119.26 118.60 1bnp h ALA 42 Ca -0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bnp h ALA 42 Cb 2.15 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 1bnp h ALA 42 CO 0.26 -0.86 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 1bnp h ALA 43 N -0.56 1.58 -0.49 0.00 0.00 -1.54 0.17 119.26 118.42 1bnp h ALA 43 Ca -0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 43 Cb 0.64 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1bnp h ALA 43 CO 0.13 0.02 0.12 1.03 0.00 0.00 0.00 179.25 180.56 1bnp h SER 44 N 0.00 0.75 0.11 0.00 0.87 -1.10 -2.12 113.55 112.06 1bnp h SER 44 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1bnp h SER 44 Cb 0.05 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1bnp h SER 44 CO 0.00 0.78 -0.16 0.55 -0.53 0.00 0.00 176.83 177.48 1bnp n VAL 45 N -4.47 0.00 -0.08 2.23 3.14 -0.58 -3.80 118.33 114.77 1bnp n VAL 45 Ca 0.01 -0.21 -0.10 0.00 -2.96 0.00 0.00 64.34 61.09 1bnp n VAL 45 Cb 0.22 0.56 -0.04 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.18 1.46 0.04 1.55 -0.00 0.50 -3.44 119.36 119.30 1bnp n ILE 46 Ca 0.15 0.13 0.02 0.00 -0.00 0.00 0.00 62.75 63.04 1bnp n ILE 46 Cb 0.37 -2.29 0.36 0.00 -0.00 0.00 0.00 39.64 38.08 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp h ALA 47 N -0.90 1.48 -0.39 -1.39 0.00 -1.60 -1.54 119.26 114.92 1bnp h ALA 47 Ca -0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1bnp h ALA 47 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1bnp h ALA 47 CO -0.06 0.37 -0.25 0.87 0.00 0.00 0.00 179.25 180.18 1bnp h LYS 48 N 0.42 0.81 -7.27 0.00 1.57 -1.77 -3.43 116.57 106.91 1bnp h LYS 48 Ca 0.09 -0.34 -0.51 0.00 -1.87 0.00 0.00 60.65 58.02 1bnp h LYS 48 Cb 0.27 -0.03 0.12 0.00 0.08 0.00 0.00 32.23 32.67 1bnp h LYS 48 CO 0.01 0.97 0.34 -0.47 -0.57 0.00 0.00 179.45 179.73 1bnp s TYR 49 N -4.57 2.61 -1.26 -1.35 5.04 -0.58 -4.87 117.35 112.37 1bnp s TYR 49 Ca -0.10 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1bnp s TYR 49 Cb 0.13 -3.09 0.13 0.00 0.35 0.00 0.00 41.96 39.47 1bnp s TYR 49 CO 0.84 -1.74 0.98 -2.30 -1.34 0.00 0.00 175.55 171.99 1bnp n PRO 50 N -3.05 0.02 0.00 4.97 -0.02 -1.26 -4.89 135.00 130.77 1bnp n PRO 50 Ca 0.10 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1bnp n PRO 50 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.37 -0.56 -2.74 6.00 1.44 -1.25 -4.95 115.22 111.78 1bnp n HIS 51 Ca 0.01 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.68 1bnp n HIS 51 Cb 0.03 0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.19 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 -0.12 -3.64 -3.81 -1.40 4.81 -1.26 -5.00 118.16 107.75 1bnp n LYS 52 Ca 0.00 2.83 -0.13 0.00 -0.87 0.00 0.00 58.31 60.14 1bnp n LYS 52 Cb 0.00 -4.03 -0.13 0.00 0.02 0.00 0.00 35.03 30.89 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 -0.63 -0.01 -0.06 3.15 -4.36 -1.26 -4.92 121.20 113.11 1bnp s ILE 53 Ca -0.19 0.04 0.13 0.00 -0.26 0.00 0.00 60.65 60.38 1bnp s ILE 53 Cb 0.01 -0.20 -0.22 0.00 1.25 0.00 0.00 42.46 43.30 1bnp s ILE 53 CO 0.59 0.02 0.65 0.29 0.24 0.00 0.00 174.94 176.73 1bnp n LYS 54 N 3.28 0.63 0.00 0.37 5.02 -1.26 -4.60 118.16 121.60 1bnp n LYS 54 Ca -0.16 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1bnp n LYS 54 Cb 0.57 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bnp n SER 55 N -3.00 0.00 0.00 4.39 2.88 -1.26 -5.01 113.62 111.62 1bnp n SER 55 Ca -0.17 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1bnp n SER 55 Cb 1.03 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 1.81 1.83 0.28 0.46 0.00 -1.26 -4.94 105.19 103.36 1bnp n GLY 56 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 1.14 0.00 4.61 0.00 -1.96 -2.26 119.26 120.79 1bnp h ALA 57 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 57 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bnp h ALA 57 CO 0.00 0.09 -0.15 0.93 0.00 0.00 0.00 179.25 180.12 1bnp h GLU 58 N 0.00 0.00 0.00 0.00 4.39 -2.00 -2.20 114.58 114.77 1bnp h GLU 58 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1bnp h GLU 58 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1bnp h GLU 58 CO 0.01 0.15 -0.40 0.00 -1.16 0.00 0.00 179.01 177.60 1bnp h ALA 59 N 1.85 0.86 0.00 3.43 0.00 -1.77 -3.09 119.26 120.54 1bnp h ALA 59 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 59 Cb 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bnp h ALA 59 CO 0.02 0.50 -1.09 0.36 0.00 0.00 0.00 179.25 179.05 1bnp n LYS 60 N -3.37 0.61 0.07 0.00 2.85 -0.86 -3.33 118.16 114.13 1bnp n LYS 60 Ca 0.01 0.13 -0.11 0.00 -1.05 0.00 0.00 58.31 57.28 1bnp n LYS 60 Cb 0.59 -1.82 -0.13 0.00 -0.65 0.00 0.00 35.03 33.03 1bnp n LYS 60 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1bnp h LYS 61 N 0.00 0.12 -6.82 -1.58 2.10 -1.47 -3.38 116.57 105.54 1bnp h LYS 61 Ca -0.02 -0.20 -0.56 0.00 -2.00 0.00 0.00 60.65 57.86 1bnp h LYS 61 Cb 1.08 0.08 0.11 0.00 -0.90 0.00 0.00 32.23 32.60 1bnp h LYS 61 CO 0.01 1.05 0.59 1.28 -2.00 0.00 0.00 179.45 180.38 1bnp n LEU 62 N -3.40 4.00 -0.26 7.07 4.77 -1.17 -4.89 117.00 123.12 1bnp n LEU 62 Ca -0.06 1.20 -0.07 0.00 -0.03 0.00 0.00 56.01 57.05 1bnp n LEU 62 Cb 0.99 -1.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1bnp n LEU 62 CO 0.50 -0.29 0.95 1.55 -1.33 0.00 0.00 177.39 178.76 1bnp h PRO 63 N 2.62 1.15 -0.28 3.23 0.13 -1.93 -3.06 132.00 133.86 1bnp h PRO 63 Ca -0.48 -0.27 0.01 0.00 -0.87 0.00 0.00 66.00 64.39 1bnp h PRO 63 Cb 1.27 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1bnp h PRO 63 CO 0.63 1.00 0.16 0.78 -0.23 0.00 0.00 178.00 180.33 1bnp h GLY 64 N 1.09 0.38 -0.43 1.56 0.00 -1.90 -3.44 103.07 100.34 1bnp h GLY 64 Ca 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1bnp h GLY 64 CO 0.00 0.10 -0.04 -0.62 0.00 0.00 0.00 176.54 175.98 1bnp n VAL 65 N -4.94 0.00 0.00 4.60 0.31 -1.16 -4.29 118.33 112.85 1bnp n VAL 65 Ca -0.01 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1bnp n VAL 65 Cb 0.05 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.83 0.81 0.06 2.92 0.00 -1.21 -4.56 105.19 106.03 1bnp n GLY 66 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bnp n THR 67 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.98 114.28 116.30 1bnp n THR 67 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bnp n THR 67 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1bnp n THR 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bnp n LYS 68 N -1.01 0.00 0.29 1.09 4.76 -1.26 -4.88 118.16 117.15 1bnp n LYS 68 Ca 0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.62 1bnp n LYS 68 Cb 0.00 -0.02 0.78 0.00 -1.84 0.00 0.00 35.03 33.94 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 0.08 -0.68 -0.18 1.08 -1.95 -2.98 117.51 112.87 1bnp h ILE 69 Ca 0.00 -0.46 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1bnp h ILE 69 Cb 0.00 1.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 1bnp h ILE 69 CO 0.00 0.02 0.38 0.00 -0.69 0.00 0.00 178.15 177.87 1bnp h ALA 70 N 1.98 0.92 -0.03 1.87 0.00 -1.89 0.11 119.26 122.20 1bnp h ALA 70 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 70 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bnp h ALA 70 CO 0.00 0.06 -0.18 1.49 0.00 0.00 0.00 179.25 180.62 1bnp h GLU 71 N 0.71 0.05 -0.09 0.00 4.81 -1.90 -1.81 114.58 116.35 1bnp h GLU 71 Ca 0.31 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1bnp h GLU 71 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1bnp h GLU 71 CO -0.18 0.24 -0.41 -0.22 -0.73 0.00 0.00 179.01 177.70 1bnp h LYS 72 N 0.05 0.20 -0.37 1.92 3.64 -1.10 -1.91 116.57 119.00 1bnp h LYS 72 Ca 0.01 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1bnp h LYS 72 Cb 0.36 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1bnp h LYS 72 CO 0.02 0.58 -0.13 0.82 -2.27 0.00 0.00 179.45 178.48 1bnp h ILE 73 N 0.17 1.25 -0.08 2.00 1.08 -0.62 -1.86 117.51 119.46 1bnp h ILE 73 Ca 0.01 -1.14 -0.13 0.00 -0.39 0.00 0.00 64.86 63.21 1bnp h ILE 73 Cb 0.81 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1bnp h ILE 73 CO 0.06 0.38 -0.53 0.44 -0.69 0.00 0.00 178.15 177.81 1bnp h ASP 74 N 0.60 0.24 -0.01 1.72 5.19 -1.31 -2.54 116.42 120.31 1bnp h ASP 74 Ca 0.10 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1bnp h ASP 74 Cb 0.57 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1bnp h ASP 74 CO 0.04 0.73 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.72 1bnp h GLU 75 N 0.17 0.24 0.39 3.56 4.81 -0.57 0.42 114.58 123.59 1bnp h GLU 75 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1bnp h GLU 75 Cb 1.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1bnp h GLU 75 CO 0.08 0.34 -0.19 0.74 -0.73 0.00 0.00 179.01 179.25 1bnp h PHE 76 N 0.23 -0.48 -0.39 0.92 -1.00 -0.96 -2.47 116.94 112.79 1bnp h PHE 76 Ca 0.05 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1bnp h PHE 76 Cb 0.30 0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1bnp h PHE 76 CO 0.00 -0.29 0.00 1.28 -1.61 0.00 0.00 178.31 177.69 1bnp n LEU 77 N -5.31 3.74 0.09 1.54 4.77 -0.99 -4.06 117.00 116.78 1bnp n LEU 77 Ca -0.11 -1.89 0.12 0.00 -0.03 0.00 0.00 56.01 54.10 1bnp n LEU 77 Cb 0.23 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1bnp n LEU 77 CO 0.36 0.52 0.05 0.00 -1.33 0.00 0.00 177.39 176.98 1bnp n ALA 78 N 0.49 2.64 -0.69 -1.18 0.00 0.15 -3.94 120.51 117.97 1bnp n ALA 78 Ca 0.17 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1bnp n ALA 78 Cb 0.77 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.55 2.61 0.24 0.00 5.66 -1.25 -4.41 114.28 114.58 1bnp n THR 79 Ca 0.00 -1.41 0.07 0.00 -3.05 0.00 0.00 64.05 59.66 1bnp n THR 79 Cb 0.53 -0.52 0.58 0.00 -1.55 0.00 0.00 70.33 69.37 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bnp h GLY 80 N 2.29 0.00 0.00 1.09 0.00 -1.86 -3.39 103.07 101.20 1bnp h GLY 80 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1bnp h GLY 80 CO 0.75 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.46 1bnp n LYS 81 N -4.28 0.00 -3.55 4.80 3.00 -1.26 -5.13 118.16 111.73 1bnp n LYS 81 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 1bnp n LYS 81 Cb 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1bnp s LEU 82 N -5.95 -0.21 0.03 3.14 2.34 -1.26 -5.08 118.68 111.69 1bnp s LEU 82 Ca 0.00 0.25 0.00 0.00 0.06 0.00 0.00 54.13 54.44 1bnp s LEU 82 Cb 0.00 2.23 0.00 0.00 -0.56 0.00 0.00 46.19 47.86 1bnp s LEU 82 CO 0.00 -0.72 0.00 -1.14 -1.06 0.00 0.00 176.35 173.43 1bnp n ARG 83 N 0.44 0.00 -0.03 1.48 0.00 -1.26 -4.75 116.66 112.54 1bnp n ARG 83 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.63 1bnp n ARG 83 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.02 1bnp n ARG 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1bnp n LYS 84 N -2.15 1.93 -2.64 -0.14 5.02 -1.26 -5.10 118.16 113.82 1bnp n LYS 84 Ca 0.00 0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1bnp n LYS 84 Cb 0.00 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bnp n LEU 85 N -2.41 -6.69 -4.53 -0.35 4.32 -1.26 -5.05 117.00 101.02 1bnp n LEU 85 Ca -0.11 2.10 -0.25 0.00 -0.02 0.00 0.00 56.01 57.72 1bnp n LEU 85 Cb 0.67 -3.33 -0.11 0.00 -1.62 0.00 0.00 43.42 39.04 1bnp n LEU 85 CO 0.11 -3.87 -0.35 -1.83 -1.22 0.00 0.00 177.39 170.23 1bnp s GLU 86 N -0.94 1.79 0.00 3.23 1.03 -1.26 -5.27 118.70 117.29 1bnp s GLU 86 Ca -0.21 -1.95 0.00 0.00 0.03 0.00 0.00 54.97 52.84 1bnp s GLU 86 Cb 0.01 -1.53 0.00 0.00 -0.80 0.00 0.00 34.13 31.81 1bnp s GLU 86 CO 0.80 0.05 0.27 1.63 -1.33 0.00 0.00 175.26 176.68