#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 6.54 -0.42 3.17 0.15 -1.26 -5.02 113.70 116.86 1bnp s SER 2 Ca 0.00 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.34 1bnp s SER 2 Cb 0.00 -2.24 0.17 0.00 -1.71 0.00 0.00 66.02 62.24 1bnp s SER 2 CO 0.00 -0.00 0.52 -1.59 1.20 0.00 0.00 173.24 173.36 1bnp s LYS 3 N 0.84 0.81 -0.39 5.44 -2.85 -1.26 -4.99 119.74 117.34 1bnp s LYS 3 Ca 0.21 -0.86 0.04 0.00 -1.00 0.00 0.00 55.97 54.36 1bnp s LYS 3 Cb -0.14 -0.42 0.61 0.00 -2.06 0.00 0.00 37.83 35.81 1bnp s LYS 3 CO 0.08 -1.24 1.81 -2.13 0.10 0.00 0.00 175.35 173.96 1bnp n ARG 4 N 3.89 2.27 0.00 1.78 0.63 -1.26 -4.72 116.66 119.25 1bnp n ARG 4 Ca 0.14 -2.69 0.00 0.00 -0.92 0.00 0.00 57.85 54.39 1bnp n ARG 4 Cb 0.51 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bnp n LYS 5 N -0.87 0.00 -1.97 -0.14 5.02 -1.26 -5.10 118.16 113.84 1bnp n LYS 5 Ca 0.51 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.38 1bnp n LYS 5 Cb 1.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.50 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp s ALA 6 N -1.00 3.66 1.00 7.82 0.00 -1.26 -4.99 121.76 126.98 1bnp s ALA 6 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1bnp s ALA 6 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1bnp s ALA 6 CO 0.00 -1.14 0.00 -0.35 0.00 0.00 0.00 175.76 174.27 1bnp n PRO 7 N 5.86 1.00 0.22 0.00 -0.04 -1.26 -4.84 135.00 135.94 1bnp n PRO 7 Ca 0.16 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1bnp n PRO 7 Cb 0.41 0.00 0.44 0.00 -0.04 0.00 0.00 33.50 34.31 1bnp n PRO 7 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1bnp h GLN 8 N 0.00 0.00 -5.50 0.54 -0.00 -1.98 -3.47 115.11 104.70 1bnp h GLN 8 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 1bnp h GLN 8 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 27.48 27.64 1bnp h GLN 8 CO 0.00 0.00 -0.74 0.39 0.00 0.00 0.00 178.83 178.48 1bnp n GLU 9 N -2.92 -6.38 -2.03 1.69 1.02 -1.26 -5.00 120.64 105.76 1bnp n GLU 9 Ca 0.03 0.81 -0.28 0.00 -0.02 0.00 0.00 57.16 57.70 1bnp n GLU 9 Cb 0.40 -5.73 0.09 0.00 -0.02 0.00 0.00 31.44 26.18 1bnp n GLU 9 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bnp s THR 10 N -3.34 2.10 -0.39 2.62 -1.32 -1.26 -4.92 115.64 109.13 1bnp s THR 10 Ca 0.01 -0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 1bnp s THR 10 Cb -0.00 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.94 1bnp s THR 10 CO 0.70 0.00 2.26 -1.48 -2.21 0.00 0.00 174.62 173.89 1bnp s LEU 11 N -5.48 3.41 0.00 9.08 0.05 -1.26 -4.87 118.68 119.62 1bnp s LEU 11 Ca 0.63 1.33 -0.00 0.00 0.05 0.00 0.00 54.13 56.13 1bnp s LEU 11 Cb -0.10 -2.94 0.00 0.00 -2.05 0.00 0.00 46.19 41.10 1bnp s LEU 11 CO 0.48 -2.44 0.03 -0.46 -0.55 0.00 0.00 176.35 173.40 1bnp n ASN 12 N 13.81 -0.08 0.00 1.48 0.23 -1.26 -5.13 115.26 124.31 1bnp n ASN 12 Ca 0.32 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.27 1bnp n ASN 12 Cb 0.51 0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bnp n GLY 13 N -0.03 -1.71 0.30 4.83 0.00 -1.26 -4.91 105.19 102.41 1bnp n GLY 13 Ca -0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 1.69 0.11 -0.02 0.00 -1.26 -4.80 105.19 100.91 1bnp n GLY 14 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.44 117.51 114.55 1bnp h ILE 15 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1bnp h ILE 15 Cb 0.15 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1bnp h ILE 15 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.10 1bnp h THR 16 N -0.60 0.59 0.26 -0.27 1.03 -1.91 -1.05 112.91 110.96 1bnp h THR 16 Ca -0.02 -0.19 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 1bnp h THR 16 Cb 0.18 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1bnp h THR 16 CO 0.04 0.05 -0.12 0.44 -0.01 0.00 0.00 175.52 175.91 1bnp h ASP 17 N 0.00 -0.29 0.19 0.00 3.32 -1.97 -1.93 116.42 115.74 1bnp h ASP 17 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bnp h ASP 17 Cb 0.12 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1bnp h ASP 17 CO 0.01 -0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.77 1bnp h MET 18 N -0.76 0.00 0.16 3.56 2.86 -1.38 -0.82 114.93 118.54 1bnp h MET 18 Ca -0.04 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.31 1bnp h MET 18 Cb 0.26 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.95 1bnp h MET 18 CO 0.06 0.00 -1.29 1.25 1.06 0.00 0.00 176.91 177.99 1bnp h LEU 19 N 0.00 0.67 -0.06 1.22 6.46 -1.21 -3.01 115.31 119.38 1bnp h LEU 19 Ca 0.00 -0.67 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1bnp h LEU 19 Cb 0.10 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1bnp h LEU 19 CO 0.00 1.51 0.00 0.52 -0.62 0.00 0.00 178.44 179.85 1bnp n VAL 20 N -3.67 0.57 -0.01 1.05 0.31 -0.38 -2.84 118.33 113.37 1bnp n VAL 20 Ca -0.12 0.12 -0.18 0.00 -0.01 0.00 0.00 64.34 64.14 1bnp n VAL 20 Cb 1.02 -0.79 -0.14 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.16 -0.25 5.55 4.81 -1.25 0.38 114.58 123.98 1bnp h GLU 21 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1bnp h GLU 21 Cb 0.39 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1bnp h GLU 21 CO 0.00 1.13 0.16 1.25 -0.73 0.00 0.00 179.01 180.82 1bnp h LEU 22 N -0.64 0.29 0.00 1.64 7.12 -1.50 0.11 115.31 122.33 1bnp h LEU 22 Ca -0.13 -0.01 -0.15 0.00 0.13 0.00 0.00 57.88 57.72 1bnp h LEU 22 Cb 1.40 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.44 1bnp h LEU 22 CO 0.05 0.22 -0.75 0.00 -0.13 0.00 0.00 178.44 177.83 1bnp h ALA 23 N 1.83 0.56 0.00 1.25 0.00 -1.56 -3.05 119.26 118.29 1bnp h ALA 23 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bnp h ALA 23 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bnp h ALA 23 CO -0.02 0.88 0.00 -1.71 0.00 0.00 0.00 179.25 178.40 1bnp n ASN 24 N -3.25 0.00 -0.18 0.00 5.15 0.31 -3.59 115.26 113.71 1bnp n ASN 24 Ca 0.00 0.26 0.18 0.00 -0.60 0.00 0.00 54.58 54.42 1bnp n ASN 24 Cb 0.82 -0.39 0.33 0.00 -0.53 0.00 0.00 39.78 40.00 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bnp n PHE 25 N -1.39 0.63 -2.53 1.20 3.01 -0.85 -4.72 117.46 112.81 1bnp n PHE 25 Ca 0.06 0.64 -0.17 0.00 1.01 0.00 0.00 57.45 58.99 1bnp n PHE 25 Cb 0.17 -1.08 -0.00 0.00 -0.01 0.00 0.00 39.48 38.56 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 -4.22 -2.32 0.07 -1.08 1.02 -1.26 -4.55 120.64 108.30 1bnp n GLU 26 Ca 0.21 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1bnp n GLU 26 Cb 0.72 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.74 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bnp n LYS 27 N -3.03 0.00 -0.28 3.49 4.81 -1.26 -4.89 118.16 117.01 1bnp n LYS 27 Ca -0.17 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.33 1bnp n LYS 27 Cb 0.63 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.87 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bnp n ASN 28 N -2.72 2.49 0.00 3.14 5.15 -1.26 -4.74 115.26 117.32 1bnp n ASN 28 Ca 0.00 -2.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.84 1bnp n ASN 28 Cb 0.00 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1bnp n VAL 29 N 0.56 0.00 -1.53 3.44 0.31 -1.26 -5.01 118.33 114.84 1bnp n VAL 29 Ca 0.14 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.19 1bnp n VAL 29 Cb 0.45 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.21 0.84 0.01 4.52 2.88 -1.24 -3.59 113.62 115.84 1bnp n SER 30 Ca 0.00 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1bnp n SER 30 Cb 0.00 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 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 8.02 0.00 0.00 -1.46 -0.06 -1.26 -4.16 117.38 118.46 1bnp n GLN 31 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1bnp n GLN 31 Cb 0.31 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.49 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bnp n ALA 32 N -2.05 0.00 -2.44 1.69 0.00 -1.24 -5.16 120.51 111.31 1bnp n ALA 32 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1bnp n ALA 32 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 4.99 0.02 0.00 -1.09 -1.26 -5.01 121.20 118.86 1bnp s ILE 33 Ca 0.00 -0.03 -0.18 0.00 -2.23 0.00 0.00 60.65 58.21 1bnp s ILE 33 Cb 0.00 -3.84 -0.24 0.00 -1.58 0.00 0.00 42.46 36.80 1bnp s ILE 33 CO 0.00 -0.65 1.11 1.12 -1.23 0.00 0.00 174.94 175.29 1bnp h HIS 34 N 0.70 0.74 -0.00 3.97 2.07 -2.00 -3.09 115.15 117.52 1bnp h HIS 34 Ca -0.48 -0.41 0.00 0.00 -2.85 0.00 0.00 60.37 56.63 1bnp h HIS 34 Cb 1.21 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1bnp h HIS 34 CO 0.56 1.24 -0.04 1.17 -3.07 0.00 0.00 177.93 177.79 1bnp n LYS 35 N -4.10 0.78 0.06 5.12 4.81 -1.26 -3.58 118.16 119.98 1bnp n LYS 35 Ca -0.11 -0.15 -0.02 0.00 -0.87 0.00 0.00 58.31 57.16 1bnp n LYS 35 Cb 0.75 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 34.53 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 0.37 0.41 0.00 5.64 3.20 -1.88 -2.11 116.97 122.59 1bnp h TYR 36 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1bnp h TYR 36 Cb 0.24 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1bnp h TYR 36 CO 0.00 0.64 0.00 0.09 -1.64 0.00 0.00 178.16 177.25 1bnp n ASN 37 N -4.09 0.16 0.08 -2.11 3.02 -1.24 -2.75 115.26 108.33 1bnp n ASN 37 Ca -0.01 0.54 0.01 0.00 -0.03 0.00 0.00 54.58 55.09 1bnp n ASN 37 Cb 0.43 -0.57 0.35 0.00 -0.61 0.00 0.00 39.78 39.37 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bnp h ALA 38 N 2.42 1.43 0.00 5.41 0.00 -1.61 -2.44 119.26 124.48 1bnp h ALA 38 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 38 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 38 CO 0.00 0.39 -1.08 0.66 0.00 0.00 0.00 179.25 179.22 1bnp n TYR 39 N -4.26 0.93 0.03 0.00 4.01 -1.11 -2.88 117.16 113.89 1bnp n TYR 39 Ca -0.00 0.27 -0.19 0.00 -0.16 0.00 0.00 57.90 57.82 1bnp n TYR 39 Cb 0.28 -0.95 -0.12 0.00 -0.31 0.00 0.00 39.34 38.24 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 0.51 0.01 -0.72 1.12 -1.57 -1.93 114.38 111.80 1bnp h ARG 40 Ca -0.01 -0.60 -0.12 0.00 -1.11 0.00 0.00 59.98 58.14 1bnp h ARG 40 Cb 1.04 0.18 0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1bnp h ARG 40 CO 0.00 1.23 -0.46 0.87 -3.11 0.00 0.00 179.97 178.50 1bnp h LYS 41 N 0.06 0.30 -0.42 0.20 1.57 -1.60 -2.71 116.57 113.96 1bnp h LYS 41 Ca -0.12 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1bnp h LYS 41 Cb 1.55 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.94 1bnp h LYS 41 CO 0.17 1.04 0.23 0.00 -0.57 0.00 0.00 179.45 180.31 1bnp h ALA 42 N 0.27 0.54 0.00 3.86 0.00 -1.65 -1.56 119.26 120.72 1bnp h ALA 42 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1bnp h ALA 42 Cb 1.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bnp h ALA 42 CO 0.09 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1bnp h ALA 43 N 1.08 1.37 -0.34 0.00 0.00 -1.43 0.71 119.26 120.66 1bnp h ALA 43 Ca 0.15 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 43 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 43 CO -0.02 0.11 -0.46 0.77 0.00 0.00 0.00 179.25 179.64 1bnp h SER 44 N 0.00 0.97 0.36 0.00 0.02 -0.95 -2.21 113.55 111.74 1bnp h SER 44 Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1bnp h SER 44 Cb 0.23 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1bnp h SER 44 CO 0.01 1.27 -0.39 0.55 -1.14 0.00 0.00 176.83 177.14 1bnp n VAL 45 N -4.03 0.00 -0.01 2.27 3.14 -0.81 -3.47 118.33 115.42 1bnp n VAL 45 Ca -0.03 -0.06 -0.16 0.00 -2.96 0.00 0.00 64.34 61.12 1bnp n VAL 45 Cb 0.58 0.33 -0.14 0.00 -1.06 0.00 0.00 33.84 33.55 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 -1.08 1.71 0.06 1.55 -0.00 0.18 -3.09 119.36 118.69 1bnp n ILE 46 Ca 0.09 -0.71 -0.10 0.00 -0.00 0.00 0.00 62.75 62.03 1bnp n ILE 46 Cb 0.34 -1.44 0.03 0.00 -0.00 0.00 0.00 39.64 38.56 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 0.45 0.59 0.00 -1.39 0.00 -1.53 -2.69 119.26 114.69 1bnp h ALA 47 Ca -0.37 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 53.83 1bnp h ALA 47 Cb 2.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1bnp h ALA 47 CO 0.08 0.78 -0.40 -0.22 0.00 0.00 0.00 179.25 179.49 1bnp h LYS 48 N 0.25 0.00 -6.95 0.00 1.63 -1.70 -3.44 116.57 106.35 1bnp h LYS 48 Ca -0.03 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.25 1bnp h LYS 48 Cb 1.33 0.00 0.21 0.00 -0.60 0.00 0.00 32.23 33.17 1bnp h LYS 48 CO 0.13 0.40 -0.32 0.98 -3.45 0.00 0.00 179.45 177.19 1bnp n TYR 49 N -4.02 -0.70 0.27 1.91 4.19 -1.01 -4.82 117.16 112.98 1bnp n TYR 49 Ca -0.02 0.27 0.08 0.00 3.31 0.00 0.00 57.90 61.54 1bnp n TYR 49 Cb 0.44 -1.84 0.39 0.00 0.49 0.00 0.00 39.34 38.82 1bnp n TYR 49 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1bnp n PRO 50 N -2.68 0.11 0.00 2.98 -0.05 -1.26 -4.97 135.00 129.13 1bnp n PRO 50 Ca 0.08 0.47 0.00 0.00 -0.05 0.00 0.00 63.50 64.00 1bnp n PRO 50 Cb 0.54 -1.76 0.00 0.00 -0.05 0.00 0.00 33.50 32.23 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1bnp n HIS 51 N -1.97 0.00 -2.46 0.54 1.44 -1.26 -5.04 115.22 106.47 1bnp n HIS 51 Ca 0.01 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.67 1bnp n HIS 51 Cb 0.12 -0.29 -0.04 0.00 0.12 0.00 0.00 29.99 29.89 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 -1.54 -4.03 -2.75 -1.40 4.81 -1.26 -4.92 118.16 107.07 1bnp n LYS 52 Ca 0.00 3.09 -0.07 0.00 -0.87 0.00 0.00 58.31 60.47 1bnp n LYS 52 Cb 0.00 -4.58 -0.03 0.00 0.02 0.00 0.00 35.03 30.44 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 1.47 0.00 0.34 3.15 -5.35 -1.26 -4.94 119.36 112.76 1bnp n ILE 53 Ca -0.37 -0.81 0.12 0.00 -0.27 0.00 0.00 62.75 61.42 1bnp n ILE 53 Cb 0.57 0.38 0.10 0.00 -1.74 0.00 0.00 39.64 38.94 1bnp n ILE 53 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bnp h LYS 54 N 0.00 0.00 -4.37 6.28 1.63 -1.99 -3.48 116.57 114.64 1bnp h LYS 54 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1bnp h LYS 54 Cb 0.40 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1bnp h LYS 54 CO 0.12 0.00 -0.92 0.45 -3.45 0.00 0.00 179.45 175.66 1bnp n SER 55 N -2.44 -7.48 0.00 4.20 2.88 -1.26 -4.95 113.62 104.57 1bnp n SER 55 Ca 0.02 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1bnp n SER 55 Cb 0.49 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 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 1.56 -1.31 0.09 0.46 0.00 -1.26 -4.90 105.19 99.83 1bnp n GLY 56 Ca -0.05 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.70 -0.06 4.61 0.00 -1.98 -3.26 119.26 119.26 1bnp h ALA 57 Ca 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 1bnp h ALA 57 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bnp h ALA 57 CO 0.00 1.18 0.01 0.93 0.00 0.00 0.00 179.25 181.37 1bnp h GLU 58 N 0.00 0.09 0.00 0.00 3.07 -1.97 -1.42 114.58 114.35 1bnp h GLU 58 Ca -0.20 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1bnp h GLU 58 Cb 1.75 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1bnp h GLU 58 CO 0.06 0.31 0.00 0.00 -1.40 0.00 0.00 179.01 177.98 1bnp h ALA 59 N 0.78 1.00 0.00 3.43 0.00 -1.91 -2.64 119.26 119.92 1bnp h ALA 59 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 59 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bnp h ALA 59 CO 0.00 0.00 -0.85 0.87 0.00 0.00 0.00 179.25 179.27 1bnp h LYS 60 N 0.00 0.00 0.00 0.00 1.57 -1.50 -3.32 116.57 113.32 1bnp h LYS 60 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1bnp h LYS 60 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1bnp h LYS 60 CO 0.00 0.39 -1.06 1.57 -0.57 0.00 0.00 179.45 179.77 1bnp h LYS 61 N 0.00 0.00 -6.47 3.15 2.10 -0.92 -3.45 116.57 110.98 1bnp h LYS 61 Ca -0.06 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.05 1bnp h LYS 61 Cb 1.43 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.78 1bnp h LYS 61 CO 0.05 0.50 0.87 -0.51 -2.00 0.00 0.00 179.45 178.37 1bnp s LEU 62 N -6.20 4.35 -0.19 7.07 1.43 -1.06 -4.91 118.68 119.16 1bnp s LEU 62 Ca -0.00 2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 1bnp s LEU 62 Cb 0.08 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1bnp s LEU 62 CO 0.79 -0.78 1.98 -2.16 0.23 0.00 0.00 176.35 176.41 1bnp s PRO 63 N 2.02 3.48 0.00 1.29 0.04 -1.26 -2.60 135.00 137.97 1bnp s PRO 63 Ca 0.68 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1bnp s PRO 63 Cb -0.37 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1bnp s PRO 63 CO 0.30 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1bnp n GLY 64 N 5.27 3.85 3.60 0.56 0.00 -1.26 -4.79 105.19 112.41 1bnp n GLY 64 Ca 0.25 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 4.70 0.00 1.61 1.01 -1.07 -4.52 120.40 122.13 1bnp s VAL 65 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1bnp s VAL 65 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1bnp s VAL 65 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1bnp n GLY 66 N 3.85 3.50 2.23 4.51 0.00 -1.26 -4.07 105.19 113.96 1bnp n GLY 66 Ca -0.16 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 3.36 0.02 2.61 -1.04 -1.26 -3.73 114.28 114.24 1bnp n THR 67 Ca 0.00 -2.44 0.00 0.00 -2.04 0.00 0.00 64.05 59.57 1bnp n THR 67 Cb 0.00 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 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 -1.04 0.00 0.10 -2.82 5.02 -1.26 -4.84 118.16 113.32 1bnp n LYS 68 Ca 0.60 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 57.01 1bnp n LYS 68 Cb 1.20 -0.09 0.19 0.00 -0.02 0.00 0.00 35.03 36.30 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1bnp h ILE 69 N 0.00 0.00 -0.36 -0.18 5.03 -1.90 -3.32 117.51 116.78 1bnp h ILE 69 Ca 0.00 -0.65 0.10 0.00 -0.12 0.00 0.00 64.86 64.19 1bnp h ILE 69 Cb 0.00 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.14 1bnp h ILE 69 CO 0.00 0.00 0.34 0.00 -0.68 0.00 0.00 178.15 177.81 1bnp h ALA 70 N 2.35 2.11 -0.38 1.87 0.00 -1.89 0.00 119.26 123.32 1bnp h ALA 70 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 70 Cb 0.82 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1bnp h ALA 70 CO 0.00 -0.52 0.14 0.93 0.00 0.00 0.00 179.25 179.79 1bnp h GLU 71 N 0.00 0.58 0.00 0.00 4.39 -1.85 -2.10 114.58 115.59 1bnp h GLU 71 Ca 0.17 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1bnp h GLU 71 Cb 0.85 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1bnp h GLU 71 CO -0.00 0.57 -0.33 0.87 -1.16 0.00 0.00 179.01 178.96 1bnp h LYS 72 N 0.47 0.00 -0.31 2.33 6.56 -1.26 -2.36 116.57 121.99 1bnp h LYS 72 Ca 0.13 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1bnp h LYS 72 Cb 0.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1bnp h LYS 72 CO -0.01 0.33 0.18 0.82 -2.06 0.00 0.00 179.45 178.71 1bnp h ILE 73 N 0.00 1.13 -0.01 1.86 1.08 -0.91 -1.93 117.51 118.73 1bnp h ILE 73 Ca -0.00 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.04 1bnp h ILE 73 Cb 0.62 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1bnp h ILE 73 CO 0.04 0.13 -0.43 -0.78 -0.69 0.00 0.00 178.15 176.42 1bnp h ASP 74 N 0.39 0.03 -0.48 1.72 1.82 -1.23 -2.63 116.42 116.04 1bnp h ASP 74 Ca 0.11 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1bnp h ASP 74 Cb 0.05 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 1bnp h ASP 74 CO -0.02 0.46 0.23 -0.33 -1.61 0.00 0.00 179.24 177.97 1bnp h GLU 75 N 0.02 0.73 -0.03 0.28 4.39 -0.84 0.83 114.58 119.97 1bnp h GLU 75 Ca -0.00 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1bnp h GLU 75 Cb 0.78 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1bnp h GLU 75 CO 0.06 0.59 0.01 0.74 -1.16 0.00 0.00 179.01 179.24 1bnp h PHE 76 N 0.73 0.05 -0.42 4.33 0.04 -1.02 -2.78 116.94 117.88 1bnp h PHE 76 Ca 0.18 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1bnp h PHE 76 Cb 0.11 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1bnp h PHE 76 CO 0.01 0.26 0.00 1.28 -0.60 0.00 0.00 178.31 179.26 1bnp n LEU 77 N -4.95 2.90 -0.00 1.54 4.77 -0.99 -3.95 117.00 116.31 1bnp n LEU 77 Ca -0.07 -1.46 -0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1bnp n LEU 77 Cb 0.14 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1bnp n LEU 77 CO 0.34 0.57 -0.01 0.00 -1.33 0.00 0.00 177.39 176.96 1bnp n ALA 78 N 0.69 0.01 -2.24 -1.18 0.00 0.29 -4.92 120.51 113.16 1bnp n ALA 78 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1bnp n ALA 78 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 1bnp n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bnp n THR 79 N -2.33 0.02 -1.90 0.00 -1.04 -1.22 -4.99 114.28 102.81 1bnp n THR 79 Ca -0.00 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.05 61.26 1bnp n THR 79 Cb 0.01 0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.50 5.06 2.20 3.41 0.00 -1.20 -4.26 105.19 109.92 1bnp n GLY 80 Ca -0.24 -2.06 -0.01 0.00 0.00 0.00 0.00 46.02 43.72 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 1.31 0.98 -3.42 1.61 3.00 -1.26 -4.99 118.16 115.39 1bnp n LYS 81 Ca 0.58 -2.11 -0.35 0.00 -0.00 0.00 0.00 58.31 56.42 1bnp n LYS 81 Cb 0.33 -0.33 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bnp s LEU 82 N -2.48 4.34 0.00 3.14 1.43 -1.26 -5.09 118.68 118.76 1bnp s LEU 82 Ca 0.19 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1bnp s LEU 82 Cb 0.32 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 43.42 1bnp s LEU 82 CO -0.09 0.12 0.47 0.54 0.23 0.00 0.00 176.35 177.63 1bnp n ARG 83 N 0.84 0.03 -0.98 1.70 5.12 -1.23 -5.13 116.66 117.02 1bnp n ARG 83 Ca -0.06 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.78 1bnp n ARG 83 Cb 0.52 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1bnp n LYS 84 N -1.92 1.22 0.00 5.56 4.81 -0.64 -4.73 118.16 122.46 1bnp n LYS 84 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1bnp n LYS 84 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1bnp n LEU 85 N 0.00 0.00 -0.03 3.14 4.77 -1.26 -3.07 117.00 120.55 1bnp n LEU 85 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bnp n LEU 85 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bnp n LEU 85 CO 0.00 0.00 -0.03 -0.08 -1.33 0.00 0.00 177.39 175.95 1bnp h GLU 86 N 0.00 0.00 0.00 3.23 4.57 -2.05 -3.58 114.58 116.75 1bnp h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bnp h GLU 86 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1bnp h GLU 86 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46