#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 -0.88 -2.74 7.83 7.64 -1.26 -4.97 113.62 119.24 1bnp n SER 2 Ca 0.00 1.35 -0.21 0.00 1.01 0.00 0.00 58.87 61.02 1bnp n SER 2 Cb 0.00 -5.28 -0.01 0.00 -1.01 0.00 0.00 64.21 57.91 1bnp n SER 2 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnp n LYS 3 N 1.62 2.49 0.06 1.43 5.02 -1.26 -4.92 118.16 122.60 1bnp n LYS 3 Ca -0.40 -4.13 -0.03 0.00 -2.02 0.00 0.00 58.31 51.73 1bnp n LYS 3 Cb 0.61 -1.93 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1bnp n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp h ARG 4 N 2.84 -0.17 0.00 1.97 3.08 -2.08 -3.48 114.38 116.55 1bnp h ARG 4 Ca 0.14 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.88 1bnp h ARG 4 Cb 0.89 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 1bnp h ARG 4 CO 0.71 -0.11 -0.24 1.63 -1.07 0.00 0.00 179.97 180.89 1bnp n LYS 5 N -2.75 1.14 -1.53 0.04 4.01 -1.26 -5.13 118.16 112.68 1bnp n LYS 5 Ca -0.02 -1.84 -0.33 0.00 -0.51 0.00 0.00 58.31 55.61 1bnp n LYS 5 Cb 0.07 0.68 0.07 0.00 -0.51 0.00 0.00 35.03 35.34 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bnp s ALA 6 N -2.49 2.29 0.35 7.82 0.00 -1.26 -4.94 121.76 123.53 1bnp s ALA 6 Ca 0.04 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1bnp s ALA 6 Cb 0.00 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1bnp s ALA 6 CO 0.03 -1.58 1.50 -1.25 0.00 0.00 0.00 175.76 174.45 1bnp s PRO 7 N -4.25 4.13 0.00 0.00 0.04 -1.26 -5.02 135.00 128.64 1bnp s PRO 7 Ca 0.67 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.26 1bnp s PRO 7 Cb -0.22 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1bnp s PRO 7 CO 0.46 -0.53 0.00 0.94 0.04 0.00 0.00 177.00 177.91 1bnp n GLN 8 N 0.88 1.08 -1.86 4.56 7.27 -1.26 -4.98 117.38 123.07 1bnp n GLN 8 Ca 0.03 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.68 1bnp n GLN 8 Cb 0.39 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.02 1bnp n GLN 8 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1bnp s GLU 9 N -0.75 4.18 0.00 3.69 2.12 -1.26 -5.00 118.70 121.67 1bnp s GLU 9 Ca 0.00 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.80 1bnp s GLU 9 Cb 0.00 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1bnp s GLU 9 CO 0.00 -0.61 0.00 0.25 -0.54 0.00 0.00 175.26 174.36 1bnp n THR 10 N 3.16 0.00 -0.99 -1.70 -2.24 -1.26 -5.11 114.28 106.14 1bnp n THR 10 Ca 0.11 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.57 1bnp n THR 10 Cb 0.38 -0.05 0.13 0.00 -2.10 0.00 0.00 70.33 68.69 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 3.01 -0.00 3.22 2.96 -1.26 -4.99 118.68 121.61 1bnp s LEU 11 Ca 0.00 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 56.04 1bnp s LEU 11 Cb 0.00 -4.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.10 1bnp s LEU 11 CO 0.00 -2.72 -0.13 -3.20 -1.32 0.00 0.00 176.35 168.99 1bnp n ASN 12 N -3.70 1.40 -0.05 3.68 2.85 -1.26 -5.12 115.26 113.06 1bnp n ASN 12 Ca 0.12 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1bnp n ASN 12 Cb 0.52 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 41.05 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 2.75 -0.81 0.00 8.20 0.00 -1.24 -4.98 105.19 109.11 1bnp n GLY 13 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.53 0.09 -0.02 0.00 -1.26 -4.58 105.19 99.94 1bnp n GLY 14 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.93 -3.31 117.51 113.70 1bnp h ILE 15 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 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 -4.34 1.17 0.02 -0.27 5.66 -1.26 -2.01 114.28 113.25 1bnp n THR 16 Ca -0.02 0.63 -0.12 0.00 -3.05 0.00 0.00 64.05 61.49 1bnp n THR 16 Cb 0.05 -1.61 -0.09 0.00 -1.55 0.00 0.00 70.33 67.13 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 -0.11 1.80 1.09 3.32 -1.99 -2.02 116.42 118.52 1bnp h ASP 17 Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1bnp h ASP 17 Cb 0.05 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bnp h ASP 17 CO 0.00 0.48 -0.20 -0.03 -1.72 0.00 0.00 179.24 177.77 1bnp h MET 18 N -0.77 0.00 0.05 3.56 4.05 -1.61 -2.66 114.93 117.55 1bnp h MET 18 Ca -0.01 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1bnp h MET 18 Cb 0.57 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1bnp h MET 18 CO 0.02 0.11 -0.52 1.25 0.23 0.00 0.00 176.91 178.00 1bnp h LEU 19 N 0.00 0.38 -1.81 3.39 6.46 -1.49 -3.09 115.31 119.14 1bnp h LEU 19 Ca -0.00 -0.85 -0.03 0.00 -0.12 0.00 0.00 57.88 56.88 1bnp h LEU 19 Cb 1.09 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1bnp h LEU 19 CO 0.01 1.19 -0.12 0.58 -0.62 0.00 0.00 178.44 179.48 1bnp h VAL 20 N -0.39 0.51 -0.29 1.05 2.07 -1.44 -2.67 116.25 115.10 1bnp h VAL 20 Ca -0.08 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1bnp h VAL 20 Cb 1.31 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1bnp h VAL 20 CO 0.10 0.12 0.01 -0.08 0.02 0.00 0.00 177.57 177.75 1bnp h GLU 21 N 0.00 0.49 -0.55 1.57 4.22 -1.40 -1.10 114.58 117.82 1bnp h GLU 21 Ca -0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.28 1bnp h GLU 21 Cb 0.40 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1bnp h GLU 21 CO 0.02 0.63 0.32 1.25 -2.18 0.00 0.00 179.01 179.05 1bnp h LEU 22 N 0.29 0.65 -1.03 1.64 6.46 -1.41 0.25 115.31 122.17 1bnp h LEU 22 Ca 0.08 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1bnp h LEU 22 Cb 0.40 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1bnp h LEU 22 CO 0.01 0.51 -0.42 0.00 -0.62 0.00 0.00 178.44 177.92 1bnp h ALA 23 N 1.60 1.10 -0.00 1.25 0.00 -1.39 -2.27 119.26 119.54 1bnp h ALA 23 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bnp h ALA 23 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 23 CO -0.04 0.53 -0.03 -1.71 0.00 0.00 0.00 179.25 178.01 1bnp n ASN 24 N -3.74 0.36 -0.33 0.00 5.15 0.01 -4.21 115.26 112.50 1bnp n ASN 24 Ca -0.01 -0.87 0.20 0.00 -0.60 0.00 0.00 54.58 53.30 1bnp n ASN 24 Cb 0.50 -0.05 0.40 0.00 -0.53 0.00 0.00 39.78 40.09 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 0.53 0.35 -1.80 1.20 -1.00 -0.74 -3.44 116.94 112.04 1bnp h PHE 25 Ca 0.00 0.06 -0.30 0.00 2.81 0.00 0.00 57.97 60.53 1bnp h PHE 25 Cb 0.21 0.01 -0.10 0.00 3.61 0.00 0.00 35.95 39.68 1bnp h PHE 25 CO 0.00 -0.39 -0.30 -1.91 -1.61 0.00 0.00 178.31 174.10 1bnp n GLU 26 N -5.35 -1.49 0.18 1.51 0.00 -1.24 -4.54 120.64 109.72 1bnp n GLU 26 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 57.16 58.28 1bnp n GLU 26 Cb 0.93 -5.19 0.00 0.00 0.00 0.00 0.00 31.44 27.17 1bnp n GLU 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1bnp n LYS 27 N -2.18 0.00 0.01 5.31 2.85 -1.26 -4.83 118.16 118.05 1bnp n LYS 27 Ca -0.15 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.07 1bnp n LYS 27 Cb 0.52 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.79 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1bnp n ASN 28 N -3.43 0.82 -3.38 -5.58 5.15 -1.26 -4.55 115.26 103.03 1bnp n ASN 28 Ca 0.00 0.37 -0.26 0.00 -0.60 0.00 0.00 54.58 54.09 1bnp n ASN 28 Cb 0.00 0.14 -0.09 0.00 -0.53 0.00 0.00 39.78 39.30 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 -2.93 -0.14 0.00 3.44 0.31 -1.26 -5.01 118.33 112.74 1bnp n VAL 29 Ca -0.13 -4.10 0.00 0.00 -0.01 0.00 0.00 64.34 60.10 1bnp n VAL 29 Cb 0.93 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 1.87 0.00 -3.72 4.52 2.88 -1.26 -3.63 113.62 114.28 1bnp n SER 30 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 1bnp n SER 30 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1bnp n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnp s GLN 31 N 0.00 0.55 -0.57 -1.46 -2.07 -1.26 -4.86 119.66 109.98 1bnp s GLN 31 Ca 0.00 0.53 -0.02 0.00 -1.82 0.00 0.00 55.36 54.05 1bnp s GLN 31 Cb 0.00 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1bnp s GLN 31 CO 0.00 -0.08 0.24 0.00 -1.32 0.00 0.00 175.29 174.13 1bnp n ALA 32 N 2.64 -0.37 -1.98 2.60 0.00 -1.26 -5.03 120.51 117.11 1bnp n ALA 32 Ca -0.14 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1bnp n ALA 32 Cb 0.57 -1.81 0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.79 2.21 0.03 0.00 -1.09 -1.26 -5.01 121.20 113.29 1bnp s ILE 33 Ca 0.12 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 58.06 1bnp s ILE 33 Cb -0.05 -2.67 -0.23 0.00 -1.58 0.00 0.00 42.46 37.93 1bnp s ILE 33 CO 0.15 0.00 0.95 0.45 -1.23 0.00 0.00 174.94 175.26 1bnp h HIS 34 N -0.51 0.10 0.00 3.97 3.86 -1.95 -3.37 115.15 117.24 1bnp h HIS 34 Ca -0.38 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1bnp h HIS 34 Cb 1.27 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1bnp h HIS 34 CO -0.13 1.09 -0.06 0.36 0.86 0.00 0.00 177.93 180.05 1bnp n LYS 35 N -3.25 1.35 0.08 2.45 2.85 -1.26 -4.68 118.16 115.70 1bnp n LYS 35 Ca -0.10 -2.21 -0.03 0.00 -1.05 0.00 0.00 58.31 54.92 1bnp n LYS 35 Cb 1.00 -1.30 -0.06 0.00 -0.65 0.00 0.00 35.03 34.03 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1bnp h TYR 36 N 0.00 0.00 0.00 5.58 3.20 -1.96 -3.17 116.97 120.62 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 0.97 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1bnp h TYR 36 CO 0.01 0.75 0.00 0.09 -1.64 0.00 0.00 178.16 177.37 1bnp n ASN 37 N -3.22 0.00 0.11 -2.11 3.02 -1.26 -2.80 115.26 109.00 1bnp n ASN 37 Ca -0.02 0.49 -0.18 0.00 -0.03 0.00 0.00 54.58 54.85 1bnp n ASN 37 Cb 0.86 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.53 0.06 0.00 5.41 0.00 -1.89 -2.29 119.26 123.08 1bnp h ALA 38 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 54.91 53.86 1bnp h ALA 38 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1bnp h ALA 38 CO 0.00 0.90 -1.05 1.88 0.00 0.00 0.00 179.25 180.98 1bnp h TYR 39 N 0.10 0.00 0.08 0.00 0.05 -1.69 -2.13 116.97 113.39 1bnp h TYR 39 Ca -0.16 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.38 1bnp h TYR 39 Cb 1.99 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.75 1bnp h TYR 39 CO 0.08 0.75 -0.99 -0.09 -1.05 0.00 0.00 178.16 176.86 1bnp h ARG 40 N 0.00 0.52 -0.21 4.88 1.12 -1.61 -1.75 114.38 117.33 1bnp h ARG 40 Ca -0.09 -0.67 -0.16 0.00 -1.11 0.00 0.00 59.98 57.95 1bnp h ARG 40 Cb 1.65 0.22 0.00 0.00 -0.01 0.00 0.00 29.97 31.83 1bnp h ARG 40 CO 0.08 1.28 -0.51 0.87 -3.11 0.00 0.00 179.97 178.59 1bnp h LYS 41 N 0.07 0.72 -0.78 0.20 1.79 -1.51 -2.62 116.57 114.43 1bnp h LYS 41 Ca -0.15 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 57.80 1bnp h LYS 41 Cb 1.70 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.38 1bnp h LYS 41 CO 0.19 1.11 0.34 0.00 -1.08 0.00 0.00 179.45 180.01 1bnp h ALA 42 N 0.60 1.13 0.00 3.86 0.00 -1.46 -1.59 119.26 121.81 1bnp h ALA 42 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 42 Cb 1.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bnp h ALA 42 CO 0.11 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.88 1bnp h ALA 43 N 1.25 1.13 -0.17 0.00 0.00 -1.23 0.19 119.26 120.43 1bnp h ALA 43 Ca 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bnp h ALA 43 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bnp h ALA 43 CO -0.03 0.14 -0.10 1.03 0.00 0.00 0.00 179.25 180.29 1bnp h SER 44 N 0.00 0.39 0.28 0.00 0.87 -0.90 -2.20 113.55 111.99 1bnp h SER 44 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1bnp h SER 44 Cb 0.45 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1bnp h SER 44 CO 0.01 0.73 -0.35 0.55 -0.53 0.00 0.00 176.83 177.24 1bnp n VAL 45 N -4.58 0.00 -0.10 2.23 3.14 -1.08 -3.98 118.33 113.96 1bnp n VAL 45 Ca -0.05 -0.10 -0.20 0.00 -2.96 0.00 0.00 64.34 61.03 1bnp n VAL 45 Cb 0.32 0.43 -0.09 0.00 -1.06 0.00 0.00 33.84 33.44 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 -0.85 1.51 0.28 1.55 2.08 0.64 -4.00 119.36 120.58 1bnp n ILE 46 Ca 0.10 -0.05 0.15 0.00 0.56 0.00 0.00 62.75 63.52 1bnp n ILE 46 Cb 0.35 -2.09 0.83 0.00 -0.75 0.00 0.00 39.64 37.99 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 -0.70 1.26 -0.83 -1.39 0.00 -1.59 -0.47 119.26 115.53 1bnp h ALA 47 Ca -0.34 -0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.10 1bnp h ALA 47 Cb 1.22 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 1bnp h ALA 47 CO -0.21 0.09 0.51 1.63 0.00 0.00 0.00 179.25 181.27 1bnp n LYS 48 N -3.54 2.42 -4.29 0.00 5.02 -1.26 -4.91 118.16 111.60 1bnp n LYS 48 Ca -0.02 -2.68 -0.23 0.00 -2.02 0.00 0.00 58.31 53.36 1bnp n LYS 48 Cb 0.19 -2.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.07 1bnp n LYS 48 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1bnp s TYR 49 N -2.87 2.70 0.44 2.13 5.04 -0.19 -4.99 117.35 119.61 1bnp s TYR 49 Ca 0.50 -0.22 0.35 0.00 -2.44 0.00 0.00 57.07 55.26 1bnp s TYR 49 Cb 0.42 -1.20 1.91 0.00 0.35 0.00 0.00 41.96 43.44 1bnp s TYR 49 CO 0.10 0.62 2.07 -1.35 -1.34 0.00 0.00 175.55 175.65 1bnp h PRO 50 N 1.88 0.00 -2.73 4.97 0.11 -1.91 -3.48 132.00 130.85 1bnp h PRO 50 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bnp h PRO 50 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bnp h PRO 50 CO 0.60 0.00 -0.60 0.72 -0.21 0.00 0.00 178.00 178.51 1bnp n HIS 51 N -2.80 -3.07 0.00 0.65 8.25 -1.26 -4.64 115.22 112.35 1bnp n HIS 51 Ca -0.02 1.67 0.00 0.00 -0.26 0.00 0.00 57.72 59.10 1bnp n HIS 51 Cb 0.13 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.31 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 0.43 0.00 -0.05 -0.41 4.81 -1.26 -3.72 118.16 117.95 1bnp n LYS 52 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1bnp n LYS 52 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 0.00 3.15 -5.35 -1.26 -4.78 119.36 111.12 1bnp n ILE 53 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1bnp n ILE 53 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1bnp n ILE 53 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1bnp n LYS 54 N -0.62 0.00 0.00 6.28 4.01 -1.26 -4.89 118.16 121.68 1bnp n LYS 54 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1bnp n LYS 54 Cb 0.02 -0.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.34 1bnp n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1bnp n SER 55 N -0.92 0.00 0.00 4.39 3.41 -1.26 -5.01 113.62 114.23 1bnp n SER 55 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1bnp n SER 55 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N 0.70 0.79 0.21 5.00 0.00 -1.26 -4.97 105.19 105.66 1bnp n GLY 56 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 1.00 -0.50 4.61 0.00 -1.98 -2.20 119.26 120.19 1bnp h ALA 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 57 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bnp h ALA 57 CO 0.00 0.00 0.19 0.93 0.00 0.00 0.00 179.25 180.37 1bnp h GLU 58 N 0.00 0.72 -0.17 0.00 5.08 -2.00 -1.56 114.58 116.63 1bnp h GLU 58 Ca 0.00 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1bnp h GLU 58 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1bnp h GLU 58 CO 0.00 0.60 0.14 0.00 -1.00 0.00 0.00 179.01 178.74 1bnp h ALA 59 N 1.51 2.05 -0.02 3.43 0.00 -1.77 -1.70 119.26 122.77 1bnp h ALA 59 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 59 Cb 0.15 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1bnp h ALA 59 CO -0.02 -0.23 -0.80 -0.22 0.00 0.00 0.00 179.25 177.99 1bnp h LYS 60 N 0.00 0.57 0.00 0.00 3.64 -1.46 -3.08 116.57 116.24 1bnp h LYS 60 Ca 0.08 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1bnp h LYS 60 Cb 0.36 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1bnp h LYS 60 CO -0.00 1.21 0.00 1.57 -2.27 0.00 0.00 179.45 179.96 1bnp h LYS 61 N 0.17 0.00 -6.05 1.90 2.10 -1.20 -3.40 116.57 110.08 1bnp h LYS 61 Ca -0.10 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.88 1bnp h LYS 61 Cb 1.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.80 1bnp h LYS 61 CO 0.16 0.00 1.30 1.28 -2.00 0.00 0.00 179.45 180.19 1bnp n LEU 62 N -2.93 2.31 0.27 7.07 4.77 -1.07 -4.79 117.00 122.62 1bnp n LEU 62 Ca -0.02 0.59 0.16 0.00 -0.03 0.00 0.00 56.01 56.70 1bnp n LEU 62 Cb 0.09 -1.25 0.88 0.00 -2.33 0.00 0.00 43.42 40.81 1bnp n LEU 62 CO 0.19 -0.60 1.13 -0.65 -1.33 0.00 0.00 177.39 176.13 1bnp h PRO 63 N 11.13 0.00 0.01 3.23 0.11 -1.91 -0.95 132.00 143.61 1bnp h PRO 63 Ca -0.32 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 1bnp h PRO 63 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1bnp h PRO 63 CO 1.00 0.00 -0.90 0.78 -0.21 0.00 0.00 178.00 178.68 1bnp h GLY 64 N 0.00 0.23 -6.55 -0.55 0.00 -1.92 -3.43 103.07 90.85 1bnp h GLY 64 Ca 0.03 -0.41 -0.50 0.00 0.00 0.00 0.00 47.33 46.44 1bnp h GLY 64 CO -0.00 0.36 -0.80 -1.34 0.00 0.00 0.00 176.54 174.77 1bnp s VAL 65 N -3.17 0.91 -0.29 4.60 -7.23 -0.36 -4.56 120.40 110.30 1bnp s VAL 65 Ca -0.03 -0.25 0.04 0.00 -1.81 0.00 0.00 61.98 59.94 1bnp s VAL 65 Cb 0.10 -0.93 0.17 0.00 0.56 0.00 0.00 36.38 36.27 1bnp s VAL 65 CO 0.83 0.34 1.09 0.61 -0.31 0.00 0.00 175.10 177.67 1bnp n GLY 66 N 4.72 0.03 1.00 2.32 0.00 -1.25 -3.99 105.19 108.02 1bnp n GLY 66 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.58 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 107.80 1bnp n THR 67 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1bnp n THR 67 Cb 0.70 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bnp n LYS 68 N -2.06 0.00 0.29 -0.78 3.00 -1.26 -4.89 118.16 112.46 1bnp n LYS 68 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1bnp n LYS 68 Cb 0.03 -0.09 0.89 0.00 0.00 0.00 0.00 35.03 35.86 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 0.58 -0.84 3.15 1.08 -1.96 -1.61 117.51 117.90 1bnp h ILE 69 Ca 0.00 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1bnp h ILE 69 Cb 0.00 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 1bnp h ILE 69 CO 0.00 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.02 1bnp h ALA 70 N 2.00 1.40 -0.33 1.87 0.00 -1.87 -1.05 119.26 121.28 1bnp h ALA 70 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 70 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1bnp h ALA 70 CO 0.00 0.55 -0.04 1.49 0.00 0.00 0.00 179.25 181.25 1bnp h GLU 71 N 1.14 0.52 -0.09 0.00 4.81 -1.66 -1.91 114.58 117.39 1bnp h GLU 71 Ca 0.31 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1bnp h GLU 71 Cb -0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1bnp h GLU 71 CO -0.07 0.58 -0.27 0.87 -0.73 0.00 0.00 179.01 179.39 1bnp h LYS 72 N 0.49 0.16 -0.55 1.92 1.57 -1.24 -2.35 116.57 116.57 1bnp h LYS 72 Ca 0.10 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1bnp h LYS 72 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1bnp h LYS 72 CO 0.02 0.42 0.21 0.82 -0.57 0.00 0.00 179.45 180.35 1bnp h ILE 73 N 0.14 1.23 0.00 1.86 1.08 -0.88 -1.56 117.51 119.38 1bnp h ILE 73 Ca 0.02 -0.72 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 1bnp h ILE 73 Cb 0.56 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1bnp h ILE 73 CO 0.04 0.27 -0.25 0.44 -0.69 0.00 0.00 178.15 177.96 1bnp h ASP 74 N 0.76 0.00 -0.91 1.72 3.32 -1.33 -2.51 116.42 117.47 1bnp h ASP 74 Ca 0.18 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1bnp h ASP 74 Cb 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1bnp h ASP 74 CO -0.01 0.25 0.60 -0.08 -1.72 0.00 0.00 179.24 178.27 1bnp h GLU 75 N 0.00 1.14 0.12 3.56 4.81 -0.77 0.88 114.58 124.32 1bnp h GLU 75 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1bnp h GLU 75 Cb 0.52 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1bnp h GLU 75 CO 0.03 0.76 -0.06 0.74 -0.73 0.00 0.00 179.01 179.75 1bnp h PHE 76 N 1.18 -0.15 -0.53 0.92 0.04 -1.29 -2.75 116.94 114.36 1bnp h PHE 76 Ca 0.35 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.94 1bnp h PHE 76 Cb -0.05 0.05 -0.11 0.00 2.20 0.00 0.00 35.95 38.05 1bnp h PHE 76 CO -0.01 0.03 0.23 1.28 -0.60 0.00 0.00 178.31 179.24 1bnp n LEU 77 N -5.10 4.87 0.02 1.54 4.77 -0.95 -4.24 117.00 117.91 1bnp n LEU 77 Ca -0.08 -2.53 -0.22 0.00 -0.03 0.00 0.00 56.01 53.15 1bnp n LEU 77 Cb 0.14 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.42 1bnp n LEU 77 CO 0.33 0.69 -0.55 0.00 -1.33 0.00 0.00 177.39 176.54 1bnp h ALA 78 N 2.29 0.23 -0.47 -1.18 0.00 0.11 -3.48 119.26 116.78 1bnp h ALA 78 Ca 0.22 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1bnp h ALA 78 Cb 1.89 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1bnp h ALA 78 CO 0.54 0.98 0.00 0.25 0.00 0.00 0.00 179.25 181.03 1bnp n THR 79 N -3.76 0.00 0.00 0.00 -2.24 -1.26 -5.07 114.28 101.94 1bnp n THR 79 Ca -0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1bnp n THR 79 Cb 0.97 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.93 0.54 1.36 3.38 0.00 -1.26 -5.05 105.19 105.10 1bnp n GLY 80 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 1.77 -2.24 1.61 4.81 -1.26 -5.05 118.16 117.80 1bnp n LYS 81 Ca 0.00 -3.27 -0.29 0.00 -0.87 0.00 0.00 58.31 53.88 1bnp n LYS 81 Cb 0.00 -1.45 0.02 0.00 0.02 0.00 0.00 35.03 33.62 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bnp s LEU 82 N -2.73 3.29 0.07 3.14 2.01 -1.26 -5.08 118.68 118.12 1bnp s LEU 82 Ca 0.39 1.04 0.02 0.00 0.01 0.00 0.00 54.13 55.59 1bnp s LEU 82 Cb 0.38 -3.96 -0.04 0.00 0.01 0.00 0.00 46.19 42.58 1bnp s LEU 82 CO -0.06 -0.91 0.14 -0.13 1.01 0.00 0.00 176.35 176.39 1bnp s ARG 83 N -5.03 3.13 0.56 1.70 0.52 -1.26 -4.98 118.95 113.60 1bnp s ARG 83 Ca 0.53 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1bnp s ARG 83 Cb -0.11 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1bnp s ARG 83 CO 0.49 0.59 0.00 1.63 0.02 0.00 0.00 175.30 178.02 1bnp n LYS 84 N 0.41 -3.29 -0.59 3.54 4.01 -1.26 -4.95 118.16 116.03 1bnp n LYS 84 Ca -0.07 2.64 0.08 0.00 -0.51 0.00 0.00 58.31 60.45 1bnp n LYS 84 Cb 0.51 -3.59 -0.02 0.00 -0.51 0.00 0.00 35.03 31.42 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1bnp n LEU 85 N -3.58 0.00 -3.83 -0.35 4.32 -1.26 -4.92 117.00 107.37 1bnp n LEU 85 Ca -0.06 0.63 -0.12 0.00 -0.02 0.00 0.00 56.01 56.45 1bnp n LEU 85 Cb 0.56 -1.79 -0.11 0.00 -1.62 0.00 0.00 43.42 40.46 1bnp n LEU 85 CO 0.02 -2.03 -0.17 -0.70 -1.22 0.00 0.00 177.39 173.30 1bnp s GLU 86 N -0.91 0.32 0.00 3.23 2.12 -1.26 -5.07 118.70 117.13 1bnp s GLU 86 Ca 0.00 -0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.37 1bnp s GLU 86 Cb 0.00 0.14 0.29 0.00 0.26 0.00 0.00 34.13 34.82 1bnp s GLU 86 CO 0.00 -0.06 0.76 1.17 -0.54 0.00 0.00 175.26 176.59