#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 -7.16 -1.53 7.83 2.88 -1.26 -4.34 113.62 110.05 1bnp n SER 2 Ca 0.00 0.73 -0.14 0.00 -1.33 0.00 0.00 58.87 58.13 1bnp n SER 2 Cb 0.00 -2.04 0.12 0.00 -0.75 0.00 0.00 64.21 61.53 1bnp n SER 2 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bnp n LYS 3 N -3.03 2.61 -3.91 -1.46 2.85 -1.26 -5.02 118.16 108.93 1bnp n LYS 3 Ca 0.00 -3.63 0.02 0.00 -1.05 0.00 0.00 58.31 53.66 1bnp n LYS 3 Cb 0.31 -2.02 0.01 0.00 -0.65 0.00 0.00 35.03 32.68 1bnp n LYS 3 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1bnp s ARG 4 N -3.46 0.44 -1.42 -1.58 1.70 -1.26 -5.00 118.95 108.38 1bnp s ARG 4 Ca 0.48 -0.28 -0.08 0.00 -0.47 0.00 0.00 55.73 55.38 1bnp s ARG 4 Cb 0.41 0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1bnp s ARG 4 CO -0.00 -0.21 1.02 1.17 -1.08 0.00 0.00 175.30 176.20 1bnp n LYS 5 N -0.81 -7.07 -2.03 3.89 4.81 -1.26 -4.96 118.16 110.73 1bnp n LYS 5 Ca 0.01 0.85 -0.31 0.00 -0.87 0.00 0.00 58.31 57.99 1bnp n LYS 5 Cb 0.60 -5.84 -0.00 0.00 0.02 0.00 0.00 35.03 29.80 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 -3.28 3.06 -0.06 3.14 0.00 -1.26 -4.95 121.76 118.41 1bnp s ALA 6 Ca 0.50 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 1bnp s ALA 6 Cb -0.22 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1bnp s ALA 6 CO 0.62 -0.57 2.04 -2.14 0.00 0.00 0.00 175.76 175.71 1bnp s PRO 7 N -4.77 3.79 0.51 0.00 0.02 -1.26 -4.97 135.00 128.32 1bnp s PRO 7 Ca 0.57 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.92 1bnp s PRO 7 Cb -0.11 -4.23 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 1bnp s PRO 7 CO 0.46 -1.35 0.82 -0.65 -0.33 0.00 0.00 177.00 175.95 1bnp s GLN 8 N 5.10 3.47 -0.01 5.54 -0.21 -1.26 -5.01 119.66 127.28 1bnp s GLN 8 Ca 0.92 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 56.27 1bnp s GLN 8 Cb -0.39 -2.33 -0.19 0.00 1.00 0.00 0.00 33.01 31.10 1bnp s GLN 8 CO 0.39 -0.31 1.28 1.49 -2.12 0.00 0.00 175.29 176.02 1bnp h GLU 9 N 0.12 -0.06 -5.57 2.91 4.81 -2.05 -3.49 114.58 111.25 1bnp h GLU 9 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1bnp h GLU 9 Cb 1.21 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1bnp h GLU 9 CO 0.62 0.36 -0.93 0.25 -0.73 0.00 0.00 179.01 178.57 1bnp n THR 10 N -4.92 -7.64 -0.39 0.32 -2.24 -1.26 -4.93 114.28 93.22 1bnp n THR 10 Ca -0.08 1.48 -0.30 0.00 -2.27 0.00 0.00 64.05 62.88 1bnp n THR 10 Cb 0.23 -4.88 0.28 0.00 -2.10 0.00 0.00 70.33 63.87 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 -0.64 -0.71 0.00 3.22 1.02 -1.26 -5.03 118.68 115.29 1bnp s LEU 11 Ca -0.12 1.02 0.00 0.00 0.02 0.00 0.00 54.13 55.05 1bnp s LEU 11 Cb 0.01 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.66 1bnp s LEU 11 CO 0.44 -5.14 0.00 -3.20 0.02 0.00 0.00 176.35 168.47 1bnp n ASN 12 N -5.50 0.00 -2.64 2.29 2.85 -1.26 -5.06 115.26 105.93 1bnp n ASN 12 Ca 0.10 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.51 1bnp n ASN 12 Cb 0.59 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.56 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bnp n GLY 13 N 2.61 -4.90 0.00 8.20 0.00 -1.26 -5.01 105.19 104.82 1bnp n GLY 13 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 46.02 47.73 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 1.79 0.00 0.05 -0.02 0.00 -1.18 -5.05 105.19 100.77 1bnp n GLY 14 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.35 117.51 113.66 1bnp h ILE 15 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 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 1.07 0.00 0.00 0.00 178.15 179.22 1bnp n THR 16 N -3.98 1.06 0.02 -0.27 5.66 -1.26 -1.82 114.28 113.68 1bnp n THR 16 Ca -0.04 0.61 -0.18 0.00 -3.05 0.00 0.00 64.05 61.38 1bnp n THR 16 Cb 0.16 -1.59 -0.11 0.00 -1.55 0.00 0.00 70.33 67.24 1bnp n THR 16 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1bnp h ASP 17 N 0.00 0.59 1.62 1.09 3.32 -1.98 -2.01 116.42 119.06 1bnp h ASP 17 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1bnp h ASP 17 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1bnp h ASP 17 CO 0.00 1.30 -0.33 0.24 -1.72 0.00 0.00 179.24 178.73 1bnp h MET 18 N -0.05 0.00 0.24 3.56 2.86 -1.57 -2.82 114.93 117.14 1bnp h MET 18 Ca -0.09 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.20 1bnp h MET 18 Cb 1.42 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.12 1bnp h MET 18 CO 0.14 0.00 -1.56 -0.07 1.06 0.00 0.00 176.91 176.48 1bnp h LEU 19 N 0.00 0.79 -1.24 1.22 3.38 -1.42 -2.96 115.31 115.08 1bnp h LEU 19 Ca 0.00 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.97 1bnp h LEU 19 Cb 0.98 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1bnp h LEU 19 CO 0.00 1.74 -0.36 0.58 0.09 0.00 0.00 178.44 180.48 1bnp h VAL 20 N 0.14 1.14 -0.33 1.22 2.07 -1.43 -2.01 116.25 117.05 1bnp h VAL 20 Ca -0.28 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1bnp h VAL 20 Cb 2.16 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1bnp h VAL 20 CO 0.25 0.36 -0.23 -0.08 0.02 0.00 0.00 177.57 177.89 1bnp h GLU 21 N 0.00 0.64 -0.55 1.57 4.22 -1.50 -0.72 114.58 118.23 1bnp h GLU 21 Ca -0.00 -0.25 0.08 0.00 0.08 0.00 0.00 59.36 59.27 1bnp h GLU 21 Cb 0.69 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1bnp h GLU 21 CO 0.05 0.82 0.20 1.25 -2.18 0.00 0.00 179.01 179.15 1bnp h LEU 22 N 0.56 0.20 -0.87 1.64 7.12 -1.19 0.15 115.31 122.92 1bnp h LEU 22 Ca 0.08 0.07 -0.08 0.00 0.13 0.00 0.00 57.88 58.08 1bnp h LEU 22 Cb 0.70 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 1bnp h LEU 22 CO 0.05 0.14 -0.37 0.00 -0.13 0.00 0.00 178.44 178.13 1bnp h ALA 23 N 1.37 0.97 0.00 1.25 0.00 -1.36 -2.84 119.26 118.65 1bnp h ALA 23 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bnp h ALA 23 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bnp h ALA 23 CO -0.27 0.46 0.00 -0.97 0.00 0.00 0.00 179.25 178.47 1bnp h ASN 24 N 0.00 0.00 -0.87 0.00 -0.73 0.83 -3.11 115.58 111.70 1bnp h ASN 24 Ca -0.00 0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.34 1bnp h ASN 24 Cb 0.93 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.35 1bnp h ASN 24 CO 0.05 0.00 -0.23 -0.26 -0.37 0.00 0.00 177.43 176.62 1bnp h PHE 25 N 0.00 -0.49 -2.75 0.67 -1.00 -1.24 -3.44 116.94 108.68 1bnp h PHE 25 Ca 0.00 0.08 -0.23 0.00 2.81 0.00 0.00 57.97 60.63 1bnp h PHE 25 Cb 0.05 0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 1bnp h PHE 25 CO 0.00 -0.38 -0.26 0.39 -1.61 0.00 0.00 178.31 176.46 1bnp n GLU 26 N -5.56 -1.80 0.00 1.51 -0.58 -1.18 -4.55 120.64 108.49 1bnp n GLU 26 Ca 0.13 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1bnp n GLU 26 Cb 0.44 -5.03 0.00 0.00 -0.57 0.00 0.00 31.44 26.28 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bnp n LYS 27 N -2.30 0.00 0.22 3.49 4.01 -1.26 -4.68 118.16 117.64 1bnp n LYS 27 Ca -0.13 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.76 1bnp n LYS 27 Cb 0.50 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.47 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1bnp h ASN 28 N 0.00 0.00 -0.38 4.39 -0.26 -1.99 -3.13 115.58 114.22 1bnp h ASN 28 Ca 0.00 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.45 1bnp h ASN 28 Cb 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 36.98 1bnp h ASN 28 CO 0.00 0.26 -0.77 0.52 -1.06 0.00 0.00 177.43 176.38 1bnp n VAL 29 N -3.48 2.00 -1.51 2.81 0.31 -1.26 -5.05 118.33 112.16 1bnp n VAL 29 Ca -0.00 -3.40 0.00 0.00 -0.01 0.00 0.00 64.34 60.93 1bnp n VAL 29 Cb 0.43 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.71 0.00 0.00 4.52 2.88 -1.18 -4.49 113.62 114.64 1bnp n SER 30 Ca 0.27 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1bnp n SER 30 Cb 0.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnp n GLN 31 N -0.44 0.00 -3.17 -1.46 6.02 -1.26 -3.91 117.38 113.16 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 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 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 3.26 4.52 -1.93 -1.58 0.00 -1.26 -5.00 120.51 118.52 1bnp n ALA 32 Ca 0.00 -4.75 -0.31 0.00 0.00 0.00 0.00 53.44 48.38 1bnp n ALA 32 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.31 4.69 0.07 0.00 1.01 -1.25 -4.96 121.20 117.45 1bnp s ILE 33 Ca 0.42 0.88 -0.19 0.00 0.00 0.00 0.00 60.65 61.77 1bnp s ILE 33 Cb 0.19 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 1bnp s ILE 33 CO -0.05 -0.92 1.45 1.12 0.00 0.00 0.00 174.94 176.54 1bnp h HIS 34 N 0.26 0.49 0.00 3.97 2.07 -1.97 -2.22 115.15 117.74 1bnp h HIS 34 Ca -0.45 -0.11 -0.08 0.00 -2.85 0.00 0.00 60.37 56.87 1bnp h HIS 34 Cb 1.19 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 31.04 1bnp h HIS 34 CO 0.64 0.69 -0.40 0.87 -3.07 0.00 0.00 177.93 176.66 1bnp h LYS 35 N 0.16 0.00 -0.61 5.12 1.57 -2.00 -2.72 116.57 118.08 1bnp h LYS 35 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1bnp h LYS 35 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1bnp h LYS 35 CO 0.02 0.40 0.34 -0.92 -0.57 0.00 0.00 179.45 178.72 1bnp h TYR 36 N 0.00 0.83 0.00 -1.35 3.20 -1.79 -1.20 116.97 116.66 1bnp h TYR 36 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1bnp h TYR 36 Cb 0.72 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1bnp h TYR 36 CO 0.00 0.60 0.00 -0.97 -1.64 0.00 0.00 178.16 176.15 1bnp h ASN 37 N 0.83 0.00 -1.00 -2.11 -1.24 -1.10 -3.15 115.58 107.81 1bnp h ASN 37 Ca 0.21 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.38 1bnp h ASN 37 Cb 0.04 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.00 1bnp h ASN 37 CO -0.04 0.00 0.62 0.00 -1.29 0.00 0.00 177.43 176.73 1bnp h ALA 38 N 2.16 1.61 0.00 1.57 0.00 -1.01 -1.30 119.26 122.29 1bnp h ALA 38 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bnp h ALA 38 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bnp h ALA 38 CO 0.00 0.09 -0.82 0.66 0.00 0.00 0.00 179.25 179.18 1bnp n TYR 39 N -4.67 0.46 0.08 0.00 4.01 -1.19 -3.07 117.16 112.78 1bnp n TYR 39 Ca 0.21 0.13 -0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1bnp n TYR 39 Cb 0.45 -0.59 -0.12 0.00 -0.31 0.00 0.00 39.34 38.77 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 0.11 0.04 -0.72 9.65 -1.35 -1.83 114.38 120.28 1bnp h ARG 40 Ca 0.00 -0.19 -0.13 0.00 -1.10 0.00 0.00 59.98 58.56 1bnp h ARG 40 Cb 0.76 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.40 1bnp h ARG 40 CO 0.00 1.08 -0.67 -0.22 2.80 0.00 0.00 179.97 182.96 1bnp h LYS 41 N 0.03 0.07 -0.25 0.20 3.64 -1.53 -2.51 116.57 116.23 1bnp h LYS 41 Ca -0.06 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1bnp h LYS 41 Cb 1.84 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 1bnp h LYS 41 CO 0.16 1.06 0.05 0.00 -2.27 0.00 0.00 179.45 178.45 1bnp h ALA 42 N -0.13 0.33 0.00 5.00 0.00 -1.62 -2.52 119.26 120.32 1bnp h ALA 42 Ca -0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1bnp h ALA 42 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bnp h ALA 42 CO -0.03 0.01 -0.07 0.00 0.00 0.00 0.00 179.25 179.16 1bnp h ALA 43 N 0.86 1.02 -0.07 0.00 0.00 -1.49 -1.36 119.26 118.23 1bnp h ALA 43 Ca 0.08 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1bnp h ALA 43 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bnp h ALA 43 CO 0.00 0.08 -0.65 1.03 0.00 0.00 0.00 179.25 179.72 1bnp h SER 44 N 0.00 0.31 0.76 0.00 0.87 -1.03 -2.07 113.55 112.40 1bnp h SER 44 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1bnp h SER 44 Cb 0.57 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1bnp h SER 44 CO 0.01 0.88 -1.00 0.55 -0.53 0.00 0.00 176.83 176.73 1bnp n VAL 45 N -3.85 0.41 -0.10 2.23 3.14 -1.02 -4.17 118.33 114.98 1bnp n VAL 45 Ca -0.03 -0.41 -0.19 0.00 -2.96 0.00 0.00 64.34 60.75 1bnp n VAL 45 Cb 0.65 -0.14 -0.10 0.00 -1.06 0.00 0.00 33.84 33.19 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1bnp h ILE 46 N 0.00 0.77 -0.92 1.55 2.10 -1.21 -3.23 117.51 116.57 1bnp h ILE 46 Ca 0.00 -1.98 0.18 0.00 1.08 0.00 0.00 64.86 64.14 1bnp h ILE 46 Cb 0.88 1.85 -0.11 0.00 -1.09 0.00 0.00 36.82 38.35 1bnp h ILE 46 CO 0.00 0.26 0.50 0.00 -1.08 0.00 0.00 178.15 177.83 1bnp h ALA 47 N -0.57 1.48 -0.41 0.18 0.00 -1.59 0.49 119.26 118.84 1bnp h ALA 47 Ca -0.29 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 47 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1bnp h ALA 47 CO -0.17 -0.12 -0.25 -0.22 0.00 0.00 0.00 179.25 178.49 1bnp h LYS 48 N 0.64 0.86 -7.27 0.00 3.64 -1.75 -3.43 116.57 109.25 1bnp h LYS 48 Ca 0.53 -0.37 -0.50 0.00 -1.27 0.00 0.00 60.65 59.04 1bnp h LYS 48 Cb 0.84 -0.03 0.18 0.00 -0.41 0.00 0.00 32.23 32.81 1bnp h LYS 48 CO -0.40 1.01 0.22 -0.47 -2.27 0.00 0.00 179.45 177.53 1bnp s TYR 49 N -4.59 1.86 -1.59 1.91 5.04 0.17 -4.84 117.35 115.32 1bnp s TYR 49 Ca -0.10 1.59 0.06 0.00 -2.44 0.00 0.00 57.07 56.18 1bnp s TYR 49 Cb 0.13 -3.22 0.33 0.00 0.35 0.00 0.00 41.96 39.55 1bnp s TYR 49 CO 0.85 -2.71 0.99 -2.30 -1.34 0.00 0.00 175.55 171.04 1bnp n PRO 50 N -4.15 0.12 -3.68 4.97 -0.02 -1.26 -4.87 135.00 126.12 1bnp n PRO 50 Ca 0.09 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.48 1bnp n PRO 50 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.20 -2.07 0.00 6.00 1.44 -1.24 -4.85 115.22 113.28 1bnp n HIS 51 Ca 0.03 0.67 0.00 0.00 -2.01 0.00 0.00 57.72 56.41 1bnp n HIS 51 Cb 0.04 -3.19 0.00 0.00 0.12 0.00 0.00 29.99 26.97 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 -3.27 0.00 -3.70 -1.40 4.81 -1.26 -3.12 118.16 110.22 1bnp n LYS 52 Ca -0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.15 1bnp n LYS 52 Cb 0.61 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.57 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 0.00 -0.01 -0.07 3.15 -4.36 -1.26 -5.02 121.20 113.63 1bnp s ILE 53 Ca 0.00 0.02 0.14 0.00 -0.26 0.00 0.00 60.65 60.55 1bnp s ILE 53 Cb 0.00 -0.69 -0.20 0.00 1.25 0.00 0.00 42.46 42.82 1bnp s ILE 53 CO 0.00 0.01 0.70 2.29 0.24 0.00 0.00 174.94 178.18 1bnp n LYS 54 N 3.24 0.63 0.00 0.37 2.85 -1.26 -4.53 118.16 119.45 1bnp n LYS 54 Ca -0.16 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1bnp n LYS 54 Cb 0.56 -1.79 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 0.43 -0.05 0.00 0.00 177.40 177.78 1bnp n SER 55 N -2.98 0.00 0.00 -5.58 7.64 -1.26 -4.99 113.62 106.45 1bnp n SER 55 Ca -0.15 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1bnp n SER 55 Cb 0.98 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnp n GLY 56 N 0.35 1.55 0.05 0.23 0.00 -1.26 -4.93 105.19 101.17 1bnp n GLY 56 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.73 -0.02 4.61 0.00 -1.26 -2.93 120.51 122.64 1bnp n ALA 57 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1bnp n ALA 57 Cb 0.00 -1.31 0.34 0.00 0.00 0.00 0.00 19.45 18.48 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 0.00 0.57 0.00 0.00 3.07 -1.99 -1.56 114.58 114.67 1bnp h GLU 58 Ca 0.00 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1bnp h GLU 58 Cb 0.32 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1bnp h GLU 58 CO 0.00 0.49 -0.15 0.00 -1.40 0.00 0.00 179.01 177.95 1bnp h ALA 59 N 1.59 1.59 0.07 3.43 0.00 -1.90 -2.17 119.26 121.86 1bnp h ALA 59 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 59 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bnp h ALA 59 CO -0.01 0.18 -0.03 0.87 0.00 0.00 0.00 179.25 180.26 1bnp h LYS 60 N 0.00 -0.09 -0.10 0.00 1.79 -1.48 -3.18 116.57 113.51 1bnp h LYS 60 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1bnp h LYS 60 Cb 0.29 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1bnp h LYS 60 CO 0.02 0.42 -0.00 1.57 -1.08 0.00 0.00 179.45 180.37 1bnp h LYS 61 N -0.65 0.14 -6.18 3.15 2.10 -1.42 -3.41 116.57 110.31 1bnp h LYS 61 Ca -0.01 -0.02 -0.57 0.00 -2.00 0.00 0.00 60.65 58.06 1bnp h LYS 61 Cb 0.54 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1bnp h LYS 61 CO 0.02 0.17 1.31 -0.51 -2.00 0.00 0.00 179.45 178.43 1bnp s LEU 62 N -9.02 3.78 -0.77 7.07 1.43 -0.83 -4.86 118.68 115.48 1bnp s LEU 62 Ca -0.05 1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 54.69 1bnp s LEU 62 Cb 0.17 -3.52 -0.10 0.00 0.03 0.00 0.00 46.19 42.76 1bnp s LEU 62 CO 0.70 -1.55 2.29 -2.16 0.23 0.00 0.00 176.35 175.85 1bnp s PRO 63 N 5.42 1.91 0.00 1.29 0.04 -1.26 -3.20 135.00 139.20 1bnp s PRO 63 Ca 0.87 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1bnp s PRO 63 Cb -0.31 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1bnp s PRO 63 CO 0.35 -4.00 0.00 0.41 0.04 0.00 0.00 177.00 173.80 1bnp n GLY 64 N 6.66 -0.40 4.00 0.56 0.00 -1.26 -4.61 105.19 110.14 1bnp n GLY 64 Ca 0.43 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 46.54 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 2.80 0.00 1.61 1.01 -1.19 -3.70 120.40 120.93 1bnp s VAL 65 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1bnp s VAL 65 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1bnp s VAL 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1bnp n GLY 66 N -1.88 -1.17 3.49 4.51 0.00 -1.26 -4.59 105.19 104.30 1bnp n GLY 66 Ca 0.09 0.43 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bnp s THR 67 N 0.00 1.32 0.00 2.61 -4.23 -1.26 -4.50 115.64 109.57 1bnp s THR 67 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1bnp s THR 67 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1bnp s THR 67 CO 0.00 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.37 1bnp n LYS 68 N -0.75 0.00 0.28 3.99 5.02 -1.26 -2.55 118.16 122.89 1bnp n LYS 68 Ca -0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1bnp n LYS 68 Cb 0.67 0.00 0.81 0.00 -0.02 0.00 0.00 35.03 36.49 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 0.62 -0.72 -0.18 2.04 -1.94 -2.00 117.51 115.32 1bnp h ILE 69 Ca 0.00 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1bnp h ILE 69 Cb 0.00 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1bnp h ILE 69 CO 0.00 0.05 0.47 0.00 0.00 0.00 0.00 178.15 178.67 1bnp h ALA 70 N 1.95 1.78 -0.46 1.87 0.00 -1.72 0.23 119.26 122.90 1bnp h ALA 70 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 70 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bnp h ALA 70 CO 0.01 0.09 -0.00 0.93 0.00 0.00 0.00 179.25 180.28 1bnp h GLU 71 N 0.68 0.75 -0.07 0.00 5.08 -1.64 -2.02 114.58 117.37 1bnp h GLU 71 Ca 0.32 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1bnp h GLU 71 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1bnp h GLU 71 CO -0.11 0.76 -0.31 0.87 -1.00 0.00 0.00 179.01 179.22 1bnp h LYS 72 N 0.70 0.13 -0.17 2.33 1.57 -1.06 -1.76 116.57 118.31 1bnp h LYS 72 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1bnp h LYS 72 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1bnp h LYS 72 CO 0.02 0.44 0.06 0.82 -0.57 0.00 0.00 179.45 180.22 1bnp h ILE 73 N 0.12 1.17 0.00 1.86 1.08 -0.70 -2.08 117.51 118.95 1bnp h ILE 73 Ca 0.02 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 1bnp h ILE 73 Cb 0.61 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 1bnp h ILE 73 CO 0.04 0.16 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.66 1bnp h ASP 74 N 0.11 0.00 -0.97 1.72 1.82 -1.26 -2.55 116.42 115.30 1bnp h ASP 74 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1bnp h ASP 74 Cb 0.19 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.16 1bnp h ASP 74 CO -0.00 0.22 0.61 -0.08 -1.61 0.00 0.00 179.24 178.38 1bnp h GLU 75 N 0.00 1.29 0.17 0.28 4.57 -0.61 0.84 114.58 121.12 1bnp h GLU 75 Ca -0.00 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1bnp h GLU 75 Cb 0.49 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1bnp h GLU 75 CO 0.03 0.87 -0.08 0.74 -1.18 0.00 0.00 179.01 179.39 1bnp h PHE 76 N 1.32 -0.22 -0.53 0.92 0.04 -1.22 -2.85 116.94 114.40 1bnp h PHE 76 Ca 0.35 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.94 1bnp h PHE 76 Cb -0.11 0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.01 1bnp h PHE 76 CO 0.00 0.01 0.22 1.28 -0.60 0.00 0.00 178.31 179.22 1bnp n LEU 77 N -5.11 4.85 0.01 1.54 4.77 -1.01 -4.26 117.00 117.79 1bnp n LEU 77 Ca -0.09 -2.52 -0.22 0.00 -0.03 0.00 0.00 56.01 53.16 1bnp n LEU 77 Cb 0.18 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 1bnp n LEU 77 CO 0.33 0.69 -0.45 0.00 -1.33 0.00 0.00 177.39 176.64 1bnp h ALA 78 N 2.32 0.18 -0.66 -1.18 0.00 0.96 -3.38 119.26 117.51 1bnp h ALA 78 Ca 0.22 -1.10 -0.46 0.00 0.00 0.00 0.00 54.91 53.57 1bnp h ALA 78 Cb 1.88 0.49 -0.31 0.00 0.00 0.00 0.00 17.79 19.85 1bnp h ALA 78 CO 0.54 0.85 -0.37 0.25 0.00 0.00 0.00 179.25 180.53 1bnp n THR 79 N -3.89 2.70 -0.00 0.00 -2.24 -1.26 -4.64 114.28 104.95 1bnp n THR 79 Ca -0.25 -3.66 -0.15 0.00 -2.27 0.00 0.00 64.05 57.72 1bnp n THR 79 Cb 0.91 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bnp h GLY 80 N 1.84 0.16 -6.75 3.38 0.00 -1.76 -3.46 103.07 96.49 1bnp h GLY 80 Ca 0.35 -0.42 -0.40 0.00 0.00 0.00 0.00 47.33 46.86 1bnp h GLY 80 CO 0.78 0.37 -0.76 1.25 0.00 0.00 0.00 176.54 178.17 1bnp s LYS 81 N -2.58 0.51 0.72 4.80 2.47 -1.26 -5.04 119.74 119.35 1bnp s LYS 81 Ca -0.13 0.09 -0.07 0.00 -1.56 0.00 0.00 55.97 54.29 1bnp s LYS 81 Cb 0.07 -0.78 0.06 0.00 -1.46 0.00 0.00 37.83 35.72 1bnp s LYS 81 CO 0.80 -0.22 1.03 -0.51 0.16 0.00 0.00 175.35 176.62 1bnp s LEU 82 N 1.56 2.78 -0.23 5.43 1.02 -1.26 -5.02 118.68 122.96 1bnp s LEU 82 Ca -0.02 0.51 0.13 0.00 0.02 0.00 0.00 54.13 54.77 1bnp s LEU 82 Cb -0.13 -3.14 0.45 0.00 0.02 0.00 0.00 46.19 43.39 1bnp s LEU 82 CO -0.03 -1.63 1.19 -2.11 0.02 0.00 0.00 176.35 173.79 1bnp n ARG 83 N -2.97 2.32 -2.87 1.70 1.85 -1.26 -5.04 116.66 110.39 1bnp n ARG 83 Ca 0.08 -3.57 -0.42 0.00 -1.00 0.00 0.00 57.85 52.94 1bnp n ARG 83 Cb 0.60 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.24 1bnp n ARG 83 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1bnp s LYS 84 N -3.14 4.22 -0.43 2.89 2.20 -1.26 -5.01 119.74 119.21 1bnp s LYS 84 Ca 0.42 1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 56.81 1bnp s LYS 84 Cb 0.38 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1bnp s LYS 84 CO -0.03 -0.47 0.66 -0.51 -0.36 0.00 0.00 175.35 174.64 1bnp s LEU 85 N 2.65 4.45 0.03 5.43 1.43 -1.26 -5.00 118.68 126.41 1bnp s LEU 85 Ca 0.37 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 1bnp s LEU 85 Cb -0.16 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.39 1bnp s LEU 85 CO 0.09 -0.78 0.79 -1.61 0.23 0.00 0.00 176.35 175.06 1bnp s GLU 86 N 2.87 0.97 0.00 1.70 2.02 -1.26 -5.34 118.70 119.65 1bnp s GLU 86 Ca 0.24 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.96 1bnp s GLU 86 Cb -0.14 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1bnp s GLU 86 CO 0.19 -0.41 0.00 1.17 0.02 0.00 0.00 175.26 176.24