#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 1.49 -3.77 6.12 3.41 -1.26 -5.08 113.62 114.53 1bnp n SER 2 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1bnp n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1bnp n SER 2 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1bnp s LYS 3 N -1.85 0.23 0.96 4.33 -2.85 -1.26 -5.15 119.74 114.16 1bnp s LYS 3 Ca 0.00 0.40 -0.14 0.00 -1.00 0.00 0.00 55.97 55.23 1bnp s LYS 3 Cb 0.00 0.02 0.17 0.00 -2.06 0.00 0.00 37.83 35.96 1bnp s LYS 3 CO 0.00 -0.09 1.17 1.03 0.10 0.00 0.00 175.35 177.56 1bnp s ARG 4 N 0.61 0.69 0.48 1.78 1.81 -1.26 -4.92 118.95 118.15 1bnp s ARG 4 Ca -0.04 0.10 0.18 0.00 -1.72 0.00 0.00 55.73 54.25 1bnp s ARG 4 Cb -0.05 -1.80 1.20 0.00 -0.45 0.00 0.00 34.95 33.84 1bnp s ARG 4 CO -0.03 -2.47 2.06 1.57 -0.68 0.00 0.00 175.30 175.75 1bnp h LYS 5 N -1.69 0.00 -7.23 3.54 2.10 -2.06 -3.43 116.57 107.80 1bnp h LYS 5 Ca -0.48 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 57.71 1bnp h LYS 5 Cb 1.31 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 32.71 1bnp h LYS 5 CO 0.53 0.13 0.18 0.00 -2.00 0.00 0.00 179.45 178.29 1bnp s ALA 6 N -4.63 3.28 1.04 0.07 0.00 -1.26 -5.05 121.76 115.20 1bnp s ALA 6 Ca -0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1bnp s ALA 6 Cb 0.15 -2.49 0.21 0.00 0.00 0.00 0.00 23.12 20.99 1bnp s ALA 6 CO 0.66 -1.24 1.09 -2.14 0.00 0.00 0.00 175.76 174.13 1bnp s PRO 7 N -5.18 0.06 0.33 0.00 0.02 -1.26 -4.91 135.00 124.06 1bnp s PRO 7 Ca 0.60 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.57 1bnp s PRO 7 Cb -0.10 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.67 1bnp s PRO 7 CO 0.44 -3.18 1.42 -1.14 -0.33 0.00 0.00 177.00 174.20 1bnp s GLN 8 N -4.55 4.24 -0.12 5.54 0.74 -1.26 -4.89 119.66 119.36 1bnp s GLN 8 Ca 0.68 2.38 -0.04 0.00 0.05 0.00 0.00 55.36 58.43 1bnp s GLN 8 Cb -0.24 -3.04 0.05 0.00 1.10 0.00 0.00 33.01 30.88 1bnp s GLN 8 CO 0.61 -0.39 0.08 -1.21 -0.55 0.00 0.00 175.29 173.84 1bnp s GLU 9 N -1.52 0.01 -0.07 1.67 2.02 -1.26 -5.14 118.70 114.42 1bnp s GLU 9 Ca 0.53 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.67 1bnp s GLU 9 Cb -0.43 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.49 1bnp s GLU 9 CO 0.54 -0.54 -0.15 0.95 0.02 0.00 0.00 175.26 176.09 1bnp s THR 10 N 2.16 2.96 -0.65 3.63 -4.23 -1.26 -5.06 115.64 113.19 1bnp s THR 10 Ca 0.03 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.53 1bnp s THR 10 Cb -0.14 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1bnp s THR 10 CO -0.07 0.57 1.57 -1.48 -0.54 0.00 0.00 174.62 174.68 1bnp s LEU 11 N -0.43 3.26 0.00 4.79 2.34 -1.26 -4.94 118.68 122.43 1bnp s LEU 11 Ca 0.05 0.05 0.02 0.00 0.06 0.00 0.00 54.13 54.31 1bnp s LEU 11 Cb -0.12 -2.64 -0.01 0.00 -0.56 0.00 0.00 46.19 42.86 1bnp s LEU 11 CO 0.02 -2.06 0.09 0.59 -1.06 0.00 0.00 176.35 173.92 1bnp n ASN 12 N 10.96 1.21 -0.01 1.48 3.02 -1.26 -5.00 115.26 125.66 1bnp n ASN 12 Ca 0.13 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1bnp n ASN 12 Cb 0.50 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bnp n GLY 13 N 0.41 0.54 0.94 7.41 0.00 -1.26 -4.98 105.19 108.24 1bnp n GLY 13 Ca -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 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 0.43 0.02 -0.02 0.00 -1.26 -4.98 105.19 99.37 1bnp n GLY 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N 0.00 0.33 0.25 -0.61 5.41 -1.26 -3.17 119.36 120.31 1bnp n ILE 15 Ca -0.25 0.43 0.11 0.00 1.00 0.00 0.00 62.75 64.05 1bnp n ILE 15 Cb 0.65 -1.71 0.67 0.00 -0.71 0.00 0.00 39.64 38.55 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N -0.23 0.70 0.02 1.39 1.03 -1.88 -0.91 112.91 113.03 1bnp h THR 16 Ca 0.00 -0.57 -0.03 0.00 -0.01 0.00 0.00 66.41 65.80 1bnp h THR 16 Cb 0.12 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 1bnp h THR 16 CO 0.00 0.14 -0.14 0.44 -0.01 0.00 0.00 175.52 175.94 1bnp h ASP 17 N 0.00 0.08 0.88 0.00 3.32 -1.94 -2.80 116.42 115.96 1bnp h ASP 17 Ca -0.00 -0.99 -0.02 0.00 0.02 0.00 0.00 57.03 56.04 1bnp h ASP 17 Cb 0.34 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1bnp h ASP 17 CO 0.02 1.07 -0.09 0.24 -1.72 0.00 0.00 179.24 178.76 1bnp h MET 18 N -0.90 0.00 0.03 3.56 2.86 -1.49 -1.24 114.93 117.75 1bnp h MET 18 Ca -0.03 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.40 1bnp h MET 18 Cb 1.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.79 1bnp h MET 18 CO 0.02 0.09 -0.83 1.25 1.06 0.00 0.00 176.91 178.50 1bnp h LEU 19 N 0.00 0.68 -1.50 1.22 6.46 -1.25 -2.79 115.31 118.13 1bnp h LEU 19 Ca -0.00 -0.78 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1bnp h LEU 19 Cb 0.55 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1bnp h LEU 19 CO 0.01 1.38 0.00 0.58 -0.62 0.00 0.00 178.44 179.79 1bnp h VAL 20 N 0.06 0.00 -0.14 1.05 2.07 -1.19 -2.73 116.25 115.37 1bnp h VAL 20 Ca -0.11 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1bnp h VAL 20 Cb 1.54 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1bnp h VAL 20 CO 0.16 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.31 1bnp h GLU 21 N 0.00 0.32 -0.35 1.57 4.39 -0.95 -0.74 114.58 118.81 1bnp h GLU 21 Ca 0.00 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1bnp h GLU 21 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1bnp h GLU 21 CO 0.00 0.69 0.16 1.25 -1.16 0.00 0.00 179.01 179.96 1bnp h LEU 22 N -0.05 0.43 -0.91 1.33 6.46 -1.44 0.43 115.31 121.58 1bnp h LEU 22 Ca 0.03 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1bnp h LEU 22 Cb 0.62 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1bnp h LEU 22 CO 0.03 0.38 -0.50 0.00 -0.62 0.00 0.00 178.44 177.73 1bnp h ALA 23 N 1.69 1.05 -0.00 1.25 0.00 -1.40 -2.28 119.26 119.56 1bnp h ALA 23 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bnp h ALA 23 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bnp h ALA 23 CO -0.02 0.63 -0.01 -1.71 0.00 0.00 0.00 179.25 178.14 1bnp n ASN 24 N -3.77 0.23 -0.34 0.00 2.85 0.07 -4.20 115.26 110.10 1bnp n ASN 24 Ca -0.01 -0.88 0.18 0.00 -0.11 0.00 0.00 54.58 53.76 1bnp n ASN 24 Cb 0.55 -0.05 0.35 0.00 1.24 0.00 0.00 39.78 41.87 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1bnp h PHE 25 N 0.34 0.13 -3.17 1.20 -1.00 -0.75 -3.44 116.94 110.24 1bnp h PHE 25 Ca 0.00 0.07 -0.18 0.00 2.81 0.00 0.00 57.97 60.67 1bnp h PHE 25 Cb 0.14 0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1bnp h PHE 25 CO 0.00 -0.45 -0.20 -1.91 -1.61 0.00 0.00 178.31 174.14 1bnp n GLU 26 N -5.45 -1.97 0.00 1.51 2.13 -1.22 -4.53 120.64 111.11 1bnp n GLU 26 Ca 0.26 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1bnp n GLU 26 Cb 0.88 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 27.71 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bnp n LYS 27 N -2.28 0.00 0.19 5.31 5.02 -1.26 -4.91 118.16 120.22 1bnp n LYS 27 Ca -0.10 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.22 1bnp n LYS 27 Cb 0.47 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.84 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1bnp h ASN 28 N 0.00 0.00 -3.52 4.39 -0.73 -1.98 -3.36 115.58 110.37 1bnp h ASN 28 Ca 0.00 0.00 -0.69 0.00 1.87 0.00 0.00 56.30 57.48 1bnp h ASN 28 Cb 0.00 0.00 -0.35 0.00 0.27 0.00 0.00 38.32 38.24 1bnp h ASN 28 CO 0.00 0.38 -0.58 -0.69 -0.37 0.00 0.00 177.43 176.17 1bnp s VAL 29 N -4.06 3.12 0.00 2.57 1.01 -1.26 -5.09 120.40 116.68 1bnp s VAL 29 Ca -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1bnp s VAL 29 Cb 0.14 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1bnp s VAL 29 CO 0.71 -0.66 0.00 -0.24 0.00 0.00 0.00 175.10 174.91 1bnp n SER 30 N 4.54 0.00 -2.01 3.32 2.88 -1.26 -3.40 113.62 117.69 1bnp n SER 30 Ca -0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 1bnp n SER 30 Cb 0.41 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 2.34 -1.79 -1.46 3.00 -1.26 -4.47 117.38 113.74 1bnp n GLN 31 Ca 0.00 -3.19 -0.01 0.00 -0.01 0.00 0.00 57.00 53.80 1bnp n GLN 31 Cb 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 30.24 28.13 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bnp n ALA 32 N -1.06 -1.22 -2.34 -1.58 0.00 -1.26 -5.11 120.51 107.93 1bnp n ALA 32 Ca 0.54 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 1bnp n ALA 32 Cb 1.26 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.02 4.56 0.12 0.00 -1.09 -1.26 -4.98 121.20 118.57 1bnp s ILE 33 Ca 0.02 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.15 1bnp s ILE 33 Cb 0.08 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1bnp s ILE 33 CO -0.02 -0.61 1.54 1.12 -1.23 0.00 0.00 174.94 175.74 1bnp h HIS 34 N 0.32 0.75 0.00 3.97 2.07 -2.01 -2.68 115.15 117.57 1bnp h HIS 34 Ca -0.47 -0.14 0.00 0.00 -2.85 0.00 0.00 60.37 56.90 1bnp h HIS 34 Cb 1.23 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.02 1bnp h HIS 34 CO 0.52 0.80 -0.11 0.87 -3.07 0.00 0.00 177.93 176.94 1bnp h LYS 35 N 0.48 0.00 0.00 5.12 1.57 -2.02 -3.22 116.57 118.50 1bnp h LYS 35 Ca 0.10 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1bnp h LYS 35 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1bnp h LYS 35 CO 0.03 0.00 -0.24 -0.92 -0.57 0.00 0.00 179.45 177.74 1bnp h TYR 36 N 0.00 0.00 0.00 -1.35 3.20 -1.85 -1.79 116.97 115.17 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 0.80 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1bnp h TYR 36 CO 0.00 0.24 -0.19 -0.91 -1.64 0.00 0.00 178.16 175.67 1bnp h ASN 37 N 0.00 0.00 0.11 -2.11 4.21 -1.55 -3.28 115.58 112.96 1bnp h ASN 37 Ca -0.00 -0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.32 1bnp h ASN 37 Cb 0.44 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 1bnp h ASN 37 CO 0.03 0.03 -0.43 0.00 -1.29 0.00 0.00 177.43 175.77 1bnp h ALA 38 N 2.48 0.95 0.00 -0.83 0.00 -1.46 -2.50 119.26 117.89 1bnp h ALA 38 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1bnp h ALA 38 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1bnp h ALA 38 CO 0.00 0.63 -0.69 1.88 0.00 0.00 0.00 179.25 181.07 1bnp h TYR 39 N 0.33 0.00 -0.00 0.00 0.05 -1.62 -2.41 116.97 113.31 1bnp h TYR 39 Ca 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1bnp h TYR 39 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1bnp h TYR 39 CO 0.03 0.48 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.52 1bnp h ARG 40 N 0.00 0.01 -0.21 4.88 9.65 -1.59 -2.10 114.38 125.02 1bnp h ARG 40 Ca -0.04 -0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.65 1bnp h ARG 40 Cb 1.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 1bnp h ARG 40 CO 0.06 0.66 -0.62 -0.22 2.80 0.00 0.00 179.97 182.64 1bnp h LYS 41 N -0.64 0.73 -0.80 0.20 3.64 -1.57 -2.83 116.57 115.30 1bnp h LYS 41 Ca -0.00 -0.50 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1bnp h LYS 41 Cb 0.66 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1bnp h LYS 41 CO 0.00 1.12 0.39 0.00 -2.27 0.00 0.00 179.45 178.70 1bnp h ALA 42 N 0.76 1.02 0.00 5.00 0.00 -1.51 -1.69 119.26 122.85 1bnp h ALA 42 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 42 Cb 1.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bnp h ALA 42 CO 0.13 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.73 1bnp h ALA 43 N 1.20 1.26 0.00 0.00 0.00 -1.32 -2.20 119.26 118.20 1bnp h ALA 43 Ca 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1bnp h ALA 43 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bnp h ALA 43 CO -0.04 0.28 -0.32 0.66 0.00 0.00 0.00 179.25 179.83 1bnp h SER 44 N 0.00 0.00 0.43 0.00 4.64 -1.06 -1.31 113.55 116.26 1bnp h SER 44 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1bnp h SER 44 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 1bnp h SER 44 CO 0.03 0.32 -1.76 0.55 -0.87 0.00 0.00 176.83 175.10 1bnp n VAL 45 N -3.29 1.63 0.43 0.95 3.14 -0.89 -3.93 118.33 116.36 1bnp n VAL 45 Ca 0.01 -0.78 0.12 0.00 -2.96 0.00 0.00 64.34 60.73 1bnp n VAL 45 Cb 0.57 -1.12 0.05 0.00 -1.06 0.00 0.00 33.84 32.28 1bnp n VAL 45 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1bnp n ILE 46 N -3.10 0.32 -0.03 1.55 -5.35 -0.88 -3.28 119.36 108.60 1bnp n ILE 46 Ca -0.19 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 61.82 1bnp n ILE 46 Cb 1.05 -0.03 -0.11 0.00 -1.74 0.00 0.00 39.64 38.81 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bnp h ALA 47 N 2.38 -0.00 -0.07 -1.28 0.00 -1.39 -3.14 119.26 115.75 1bnp h ALA 47 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1bnp h ALA 47 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bnp h ALA 47 CO 0.00 -0.19 -0.37 0.87 0.00 0.00 0.00 179.25 179.56 1bnp h LYS 48 N -0.63 0.15 -6.65 0.00 1.57 -1.73 -3.44 116.57 105.84 1bnp h LYS 48 Ca -0.00 -0.06 -0.50 0.00 -1.87 0.00 0.00 60.65 58.21 1bnp h LYS 48 Cb 0.62 -0.01 0.23 0.00 0.08 0.00 0.00 32.23 33.15 1bnp h LYS 48 CO 0.00 0.51 -0.97 0.98 -0.57 0.00 0.00 179.45 179.40 1bnp n TYR 49 N -4.07 -1.72 0.22 -1.35 9.36 -1.18 -4.76 117.16 113.66 1bnp n TYR 49 Ca -0.01 0.20 0.13 0.00 3.32 0.00 0.00 57.90 61.54 1bnp n TYR 49 Cb 0.44 -1.65 0.72 0.00 -0.63 0.00 0.00 39.34 38.21 1bnp n TYR 49 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1bnp h PRO 50 N -1.69 0.00 -1.51 2.98 0.11 -1.85 -3.48 132.00 126.56 1bnp h PRO 50 Ca -0.47 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1bnp h PRO 50 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1bnp h PRO 50 CO 0.34 0.00 -0.49 1.58 -0.21 0.00 0.00 178.00 179.23 1bnp n HIS 51 N -2.47 -1.68 -3.55 0.65 -0.00 -1.26 -4.94 115.22 101.98 1bnp n HIS 51 Ca -0.02 0.91 -0.37 0.00 0.46 0.00 0.00 57.72 58.70 1bnp n HIS 51 Cb 0.12 -1.52 0.03 0.00 -0.12 0.00 0.00 29.99 28.50 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1bnp n LYS 52 N -3.15 -1.88 -3.30 1.57 2.85 -1.26 -4.91 118.16 108.07 1bnp n LYS 52 Ca -0.03 1.33 -0.38 0.00 -1.05 0.00 0.00 58.31 58.18 1bnp n LYS 52 Cb 0.30 -2.10 -0.06 0.00 -0.65 0.00 0.00 35.03 32.52 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1bnp s ILE 53 N -1.71 5.08 -0.50 0.58 -4.36 -1.26 -4.86 121.20 114.18 1bnp s ILE 53 Ca 0.33 1.04 0.07 0.00 -0.26 0.00 0.00 60.65 61.82 1bnp s ILE 53 Cb -0.03 -3.84 0.47 0.00 1.25 0.00 0.00 42.46 40.30 1bnp s ILE 53 CO 0.88 0.39 1.30 0.29 0.24 0.00 0.00 174.94 178.04 1bnp n LYS 54 N 3.13 3.01 0.03 0.37 5.02 -1.26 -4.47 118.16 123.99 1bnp n LYS 54 Ca -0.08 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1bnp n LYS 54 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1bnp n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1bnp n SER 55 N 0.20 0.22 0.00 4.39 7.64 -1.26 -5.06 113.62 119.75 1bnp n SER 55 Ca 0.20 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1bnp n SER 55 Cb 0.89 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 2.76 2.43 0.29 0.23 0.00 -1.26 -4.90 105.19 104.73 1bnp n GLY 56 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 1.50 -0.12 4.61 0.00 -1.97 -2.49 119.26 120.79 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 0.06 0.93 0.00 0.00 0.00 179.25 180.29 1bnp h GLU 58 N 0.00 0.16 0.00 0.00 5.08 -2.00 -1.54 114.58 116.29 1bnp h GLU 58 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1bnp h GLU 58 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1bnp h GLU 58 CO 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1bnp h ALA 59 N 0.97 1.00 0.08 3.43 0.00 -1.79 -1.79 119.26 121.17 1bnp h ALA 59 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1bnp h ALA 59 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bnp h ALA 59 CO -0.01 0.00 -1.13 -0.22 0.00 0.00 0.00 179.25 177.89 1bnp h LYS 60 N 0.00 0.29 0.00 0.00 3.64 -1.30 -3.26 116.57 115.93 1bnp h LYS 60 Ca 0.00 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1bnp h LYS 60 Cb 0.02 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1bnp h LYS 60 CO 0.00 1.16 -0.02 1.57 -2.27 0.00 0.00 179.45 179.89 1bnp h LYS 61 N 0.11 0.00 -6.61 1.90 2.10 -1.13 -3.41 116.57 109.52 1bnp h LYS 61 Ca -0.11 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.00 1bnp h LYS 61 Cb 1.83 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 33.22 1bnp h LYS 61 CO 0.19 0.00 0.97 1.28 -2.00 0.00 0.00 179.45 179.88 1bnp n LEU 62 N -2.82 3.79 0.26 7.07 4.77 -1.10 -4.85 117.00 124.12 1bnp n LEU 62 Ca 0.04 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.19 1bnp n LEU 62 Cb 0.50 -1.54 0.71 0.00 -2.33 0.00 0.00 43.42 40.76 1bnp n LEU 62 CO 0.33 0.07 1.00 1.55 -1.33 0.00 0.00 177.39 179.01 1bnp h PRO 63 N 6.66 0.00 0.16 3.23 0.13 -1.91 -2.85 132.00 137.43 1bnp h PRO 63 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.39 1bnp h PRO 63 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1bnp h PRO 63 CO 0.94 0.10 -1.51 0.78 -0.23 0.00 0.00 178.00 178.07 1bnp h GLY 64 N 0.47 0.40 -6.20 1.56 0.00 -1.88 -3.45 103.07 93.96 1bnp h GLY 64 Ca -0.00 -1.01 -0.64 0.00 0.00 0.00 0.00 47.33 45.68 1bnp h GLY 64 CO 0.01 0.89 -0.67 0.14 0.00 0.00 0.00 176.54 176.90 1bnp s VAL 65 N -2.53 3.83 0.00 4.60 1.01 -1.07 -4.37 120.40 121.87 1bnp s VAL 65 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1bnp s VAL 65 Cb 0.04 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1bnp s VAL 65 CO 0.83 0.46 0.00 0.61 0.00 0.00 0.00 175.10 177.00 1bnp n GLY 66 N 3.93 0.82 0.21 4.51 0.00 -1.25 -3.58 105.19 109.82 1bnp n GLY 66 Ca -0.17 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bnp h THR 67 N 0.00 1.19 0.00 2.61 2.02 -1.88 -3.43 112.91 113.42 1bnp h THR 67 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1bnp h THR 67 Cb 0.00 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1bnp h THR 67 CO 0.00 0.26 0.00 1.17 0.37 0.00 0.00 175.52 177.32 1bnp n LYS 68 N -4.22 0.00 0.23 6.66 0.00 -1.26 -4.93 118.16 114.64 1bnp n LYS 68 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.45 1bnp n LYS 68 Cb 0.32 0.00 0.80 0.00 0.00 0.00 0.00 35.03 36.15 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 0.00 -0.41 3.15 2.04 -1.91 -2.56 117.51 117.82 1bnp h ILE 69 Ca 0.00 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.87 1bnp h ILE 69 Cb 0.00 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1bnp h ILE 69 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.51 1bnp h ALA 70 N 2.04 2.20 -0.40 1.87 0.00 -1.86 0.02 119.26 123.12 1bnp h ALA 70 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 70 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bnp h ALA 70 CO 0.00 -0.57 -0.09 0.93 0.00 0.00 0.00 179.25 179.52 1bnp h GLU 71 N 0.00 0.77 0.00 0.00 5.08 -1.83 -2.61 114.58 115.99 1bnp h GLU 71 Ca 0.19 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1bnp h GLU 71 Cb 0.92 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1bnp h GLU 71 CO -0.00 0.90 -0.30 0.87 -1.00 0.00 0.00 179.01 179.48 1bnp h LYS 72 N 0.59 0.00 0.01 2.33 6.56 -1.21 -1.78 116.57 123.08 1bnp h LYS 72 Ca 0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1bnp h LYS 72 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1bnp h LYS 72 CO 0.04 0.30 -0.01 0.82 -2.06 0.00 0.00 179.45 178.54 1bnp h ILE 73 N 0.00 1.22 0.00 1.86 1.08 -1.15 -2.47 117.51 118.05 1bnp h ILE 73 Ca -0.00 -0.70 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1bnp h ILE 73 Cb 0.55 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1bnp h ILE 73 CO 0.04 0.18 -0.13 0.44 -0.69 0.00 0.00 178.15 177.99 1bnp h ASP 74 N -0.32 0.00 -1.00 1.72 3.32 -1.28 -2.02 116.42 116.84 1bnp h ASP 74 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1bnp h ASP 74 Cb 0.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1bnp h ASP 74 CO 0.00 0.13 0.66 -0.08 -1.72 0.00 0.00 179.24 178.24 1bnp h GLU 75 N 0.00 1.30 0.19 3.56 4.22 -0.85 0.85 114.58 123.85 1bnp h GLU 75 Ca -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1bnp h GLU 75 Cb 0.29 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bnp h GLU 75 CO 0.02 0.86 -0.09 0.74 -2.18 0.00 0.00 179.01 178.35 1bnp h PHE 76 N 1.34 -0.24 -0.53 0.92 0.04 -1.18 -2.67 116.94 114.62 1bnp h PHE 76 Ca 0.38 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.96 1bnp h PHE 76 Cb -0.12 0.08 -0.11 0.00 2.20 0.00 0.00 35.95 38.00 1bnp h PHE 76 CO -0.00 -0.07 0.23 1.28 -0.60 0.00 0.00 178.31 179.15 1bnp n LEU 77 N -5.15 4.87 0.01 1.54 4.77 -0.94 -4.26 117.00 117.83 1bnp n LEU 77 Ca -0.09 -2.53 -0.21 0.00 -0.03 0.00 0.00 56.01 53.15 1bnp n LEU 77 Cb 0.16 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.43 1bnp n LEU 77 CO 0.34 0.69 -0.39 0.00 -1.33 0.00 0.00 177.39 176.70 1bnp h ALA 78 N 2.29 0.15 -0.84 -1.18 0.00 0.11 -3.48 119.26 116.32 1bnp h ALA 78 Ca 0.22 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1bnp h ALA 78 Cb 1.89 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1bnp h ALA 78 CO 0.54 0.79 0.00 0.25 0.00 0.00 0.00 179.25 180.84 1bnp n THR 79 N -3.93 0.00 0.00 0.00 -2.24 -1.26 -5.07 114.28 101.78 1bnp n THR 79 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1bnp n THR 79 Cb 0.90 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.42 3.24 3.96 3.38 0.00 -1.26 -5.09 105.19 110.84 1bnp n GLY 80 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1bnp n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnp s LYS 81 N 0.00 2.26 0.22 1.61 1.02 -1.26 -5.12 119.74 118.47 1bnp s LYS 81 Ca 0.00 -1.90 0.10 0.00 0.02 0.00 0.00 55.97 54.19 1bnp s LYS 81 Cb 0.00 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 1bnp s LYS 81 CO 0.00 -0.74 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.99 1bnp s LEU 82 N -4.44 2.51 0.10 3.17 1.43 -1.26 -5.06 118.68 115.13 1bnp s LEU 82 Ca 0.44 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1bnp s LEU 82 Cb -0.03 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.21 1bnp s LEU 82 CO 0.28 0.01 0.00 -1.14 0.23 0.00 0.00 176.35 175.72 1bnp n ARG 83 N -0.13 0.00 -3.71 1.70 0.63 -1.26 -5.09 116.66 108.80 1bnp n ARG 83 Ca -0.09 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.69 1bnp n ARG 83 Cb 0.58 -0.18 -0.15 0.00 0.45 0.00 0.00 32.46 33.16 1bnp n ARG 83 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1bnp s LYS 84 N -2.00 0.06 -0.08 -0.14 -2.85 -1.26 -5.02 119.74 108.45 1bnp s LYS 84 Ca 0.00 0.45 0.05 0.00 -1.00 0.00 0.00 55.97 55.46 1bnp s LYS 84 Cb 0.00 -0.22 -0.08 0.00 -2.06 0.00 0.00 37.83 35.47 1bnp s LYS 84 CO 0.00 -0.22 -0.01 1.28 0.10 0.00 0.00 175.35 176.49 1bnp n LEU 85 N 4.67 1.06 -1.85 2.77 4.32 -1.26 -4.73 117.00 121.98 1bnp n LEU 85 Ca -0.18 -0.02 -0.03 0.00 -0.02 0.00 0.00 56.01 55.77 1bnp n LEU 85 Cb 0.51 -0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.37 1bnp n LEU 85 CO 0.12 0.35 0.12 -0.62 -1.22 0.00 0.00 177.39 176.15 1bnp n GLU 86 N -2.45 1.59 0.00 3.23 1.02 -1.26 -5.33 120.64 117.44 1bnp n GLU 86 Ca -0.14 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 53.83 1bnp n GLU 86 Cb 0.72 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94