#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 0.35 -1.48 6.12 2.88 -1.26 -5.12 113.62 115.12 1bnp n SER 2 Ca 0.00 -3.11 0.19 0.00 -1.33 0.00 0.00 58.87 54.62 1bnp n SER 2 Cb 0.00 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1bnp n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1bnp n LYS 3 N 0.29 -3.17 -2.84 -1.46 3.00 -1.26 -4.31 118.16 108.41 1bnp n LYS 3 Ca 0.22 2.33 -0.43 0.00 -0.00 0.00 0.00 58.31 60.42 1bnp n LYS 3 Cb 0.67 -3.79 -0.02 0.00 0.00 0.00 0.00 35.03 31.89 1bnp n LYS 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1bnp s ARG 4 N -3.13 3.76 0.29 1.64 0.52 -1.26 -4.93 118.95 115.84 1bnp s ARG 4 Ca 0.00 -1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 53.20 1bnp s ARG 4 Cb 0.00 -5.08 0.01 0.00 0.52 0.00 0.00 34.95 30.40 1bnp s ARG 4 CO 0.00 -1.88 0.53 0.21 0.02 0.00 0.00 175.30 174.18 1bnp s LYS 5 N 2.89 1.74 0.83 3.54 2.20 -1.26 -5.15 119.74 124.52 1bnp s LYS 5 Ca 0.39 -1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 54.51 1bnp s LYS 5 Cb -0.03 0.49 0.09 0.00 -1.51 0.00 0.00 37.83 36.88 1bnp s LYS 5 CO -0.06 -0.74 1.12 0.00 -0.36 0.00 0.00 175.35 175.31 1bnp s ALA 6 N -3.55 1.93 1.47 3.13 0.00 -1.26 -5.00 121.76 118.48 1bnp s ALA 6 Ca 0.23 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 1bnp s ALA 6 Cb -0.01 -3.36 0.37 0.00 0.00 0.00 0.00 23.12 20.12 1bnp s ALA 6 CO 0.12 -2.17 0.87 -2.30 0.00 0.00 0.00 175.76 172.27 1bnp n PRO 7 N -3.76 -4.76 -1.87 0.00 -0.02 -1.26 -4.92 135.00 118.41 1bnp n PRO 7 Ca 0.10 -1.45 -0.37 0.00 -2.02 0.00 0.00 63.50 59.76 1bnp n PRO 7 Cb 0.52 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1bnp n PRO 7 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1bnp s GLN 8 N -5.07 2.93 -0.30 -0.52 -2.07 -1.26 -5.01 119.66 108.36 1bnp s GLN 8 Ca 0.66 2.03 -0.02 0.00 -1.82 0.00 0.00 55.36 56.21 1bnp s GLN 8 Cb -0.11 -2.03 0.19 0.00 -1.09 0.00 0.00 33.01 29.97 1bnp s GLN 8 CO 0.55 -1.30 0.78 -2.00 -1.32 0.00 0.00 175.29 172.00 1bnp s GLU 9 N -3.18 0.40 0.00 9.60 2.12 -1.26 -5.07 118.70 121.31 1bnp s GLU 9 Ca 0.77 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.58 1bnp s GLU 9 Cb -0.36 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.27 1bnp s GLU 9 CO 0.40 -0.65 0.00 0.25 -0.54 0.00 0.00 175.26 174.72 1bnp n THR 10 N 5.34 0.00 -2.65 -1.70 -2.24 -1.26 -4.98 114.28 106.79 1bnp n THR 10 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1bnp n THR 10 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1bnp n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bnp n LEU 11 N -1.99 5.78 -4.37 3.22 4.77 -1.26 -4.95 117.00 118.20 1bnp n LEU 11 Ca 0.00 -4.48 -0.34 0.00 -0.03 0.00 0.00 56.01 51.17 1bnp n LEU 11 Cb 0.00 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 39.37 1bnp n LEU 11 CO 0.00 0.94 -0.40 0.20 -1.33 0.00 0.00 177.39 176.79 1bnp s ASN 12 N 2.23 4.28 0.00 -1.43 -0.87 -1.26 -4.51 114.94 113.38 1bnp s ASN 12 Ca 0.43 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 1bnp s ASN 12 Cb 0.03 -1.69 0.00 0.00 -0.02 0.00 0.00 41.25 39.56 1bnp s ASN 12 CO 0.01 0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.24 1bnp n GLY 13 N 4.00 -2.91 0.00 0.66 0.00 -1.26 -5.04 105.19 100.64 1bnp n GLY 13 Ca -0.18 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.11 1.17 0.04 -0.02 0.00 -1.26 -4.76 105.19 100.26 1bnp n GLY 14 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.75 0.76 0.17 -0.61 -0.00 -1.26 -2.98 119.36 113.69 1bnp n ILE 15 Ca 0.00 0.34 0.06 0.00 -0.00 0.00 0.00 62.75 63.15 1bnp n ILE 15 Cb 0.00 -1.97 0.52 0.00 -0.00 0.00 0.00 39.64 38.19 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 -0.53 1.08 0.07 1.39 1.03 -1.86 -1.17 112.91 112.91 1bnp h THR 16 Ca 0.00 -0.29 -0.00 0.00 -0.01 0.00 0.00 66.41 66.10 1bnp h THR 16 Cb 0.31 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1bnp h THR 16 CO 0.00 0.10 -0.03 0.44 -0.01 0.00 0.00 175.52 176.02 1bnp h ASP 17 N 0.16 -0.08 0.00 0.00 3.32 -1.96 -3.03 116.42 114.84 1bnp h ASP 17 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1bnp h ASP 17 Cb 0.11 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1bnp h ASP 17 CO 0.00 0.34 0.02 0.24 -1.72 0.00 0.00 179.24 178.13 1bnp h MET 18 N -0.88 0.00 0.11 3.56 2.86 -1.55 -0.13 114.93 118.90 1bnp h MET 18 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 1bnp h MET 18 Cb 0.07 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.76 1bnp h MET 18 CO 0.02 0.00 -1.16 -0.07 1.06 0.00 0.00 176.91 176.76 1bnp h LEU 19 N 0.00 0.82 -1.14 1.22 4.07 -1.30 -2.92 115.31 116.06 1bnp h LEU 19 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.13 1bnp h LEU 19 Cb 0.05 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1bnp h LEU 19 CO 0.00 1.57 0.00 0.58 -1.08 0.00 0.00 178.44 179.51 1bnp h VAL 20 N 0.19 0.00 0.09 1.22 2.07 -0.91 -2.79 116.25 116.12 1bnp h VAL 20 Ca -0.18 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.96 1bnp h VAL 20 Cb 1.85 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1bnp h VAL 20 CO 0.22 0.00 -0.69 -0.33 0.02 0.00 0.00 177.57 176.80 1bnp h GLU 21 N 0.00 0.31 0.00 1.57 5.08 -1.21 -0.31 114.58 120.02 1bnp h GLU 21 Ca 0.00 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1bnp h GLU 21 Cb 0.29 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1bnp h GLU 21 CO 0.00 1.18 -0.02 1.25 -1.00 0.00 0.00 179.01 180.41 1bnp h LEU 22 N -0.34 0.00 0.00 1.33 6.46 -1.40 0.23 115.31 121.59 1bnp h LEU 22 Ca -0.11 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.49 1bnp h LEU 22 Cb 1.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 1bnp h LEU 22 CO 0.13 0.02 -0.92 0.00 -0.62 0.00 0.00 178.44 177.05 1bnp h ALA 23 N 1.98 0.59 0.00 1.25 0.00 -1.52 -3.04 119.26 118.52 1bnp h ALA 23 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1bnp h ALA 23 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bnp h ALA 23 CO 0.00 0.93 0.02 -1.71 0.00 0.00 0.00 179.25 178.49 1bnp n ASN 24 N -3.18 0.43 -1.10 0.00 5.15 0.80 -2.76 115.26 114.60 1bnp n ASN 24 Ca -0.02 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 1bnp n ASN 24 Cb 0.84 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 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 -2.08 0.00 0.31 1.20 3.72 -1.04 -4.48 117.46 115.10 1bnp n PHE 25 Ca -0.01 -0.40 0.11 0.00 -0.05 0.00 0.00 57.45 57.09 1bnp n PHE 25 Cb 0.04 -0.24 0.54 0.00 -0.94 0.00 0.00 39.48 38.88 1bnp n PHE 25 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bnp h GLU 26 N 0.80 0.00 0.04 -1.08 5.08 -1.81 0.01 114.58 117.62 1bnp h GLU 26 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1bnp h GLU 26 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1bnp h GLU 26 CO 0.00 0.00 -0.74 0.87 -1.00 0.00 0.00 179.01 178.14 1bnp h LYS 27 N 0.00 0.08 0.00 2.33 1.57 -1.91 -3.35 116.57 115.29 1bnp h LYS 27 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1bnp h LYS 27 Cb 1.18 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1bnp h LYS 27 CO -0.00 1.06 0.00 -1.71 -0.57 0.00 0.00 179.45 178.23 1bnp n ASN 28 N -4.38 0.00 0.22 0.86 5.15 -0.15 -4.43 115.26 112.53 1bnp n ASN 28 Ca -0.20 0.19 0.18 0.00 -0.60 0.00 0.00 54.58 54.15 1bnp n ASN 28 Cb 0.66 -0.49 0.77 0.00 -0.53 0.00 0.00 39.78 40.18 1bnp n ASN 28 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1bnp h VAL 29 N 0.00 0.18 -2.35 3.44 2.07 -1.48 -3.42 116.25 114.71 1bnp h VAL 29 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1bnp h VAL 29 Cb 0.00 0.65 0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1bnp h VAL 29 CO 0.00 0.00 0.08 -0.24 0.02 0.00 0.00 177.57 177.43 1bnp n SER 30 N -3.29 -0.90 -2.57 0.57 2.88 -1.11 -4.45 113.62 104.74 1bnp n SER 30 Ca 0.03 -0.89 -0.05 0.00 -1.33 0.00 0.00 58.87 56.63 1bnp n SER 30 Cb 0.50 -0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 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 -2.48 -4.69 -2.61 -1.46 1.13 -1.26 -4.54 117.38 101.47 1bnp n GLN 31 Ca 0.06 3.51 -0.06 0.00 -1.94 0.00 0.00 57.00 58.56 1bnp n GLN 31 Cb 0.21 -4.98 0.03 0.00 0.11 0.00 0.00 30.24 25.61 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnp n ALA 32 N 1.77 -0.53 -1.17 -1.58 0.00 -1.26 -4.98 120.51 112.76 1bnp n ALA 32 Ca -0.37 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.77 1bnp n ALA 32 Cb 0.57 -1.49 0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.51 1.86 0.00 0.00 -0.00 -1.26 -4.90 119.36 112.55 1bnp n ILE 33 Ca -0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 1bnp n ILE 33 Cb 0.54 -0.96 0.00 0.00 -0.00 0.00 0.00 39.64 39.22 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 -2.89 -1.35 0.22 1.39 -0.00 -1.26 -4.92 115.22 106.41 1bnp n HIS 34 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.86 1bnp n HIS 34 Cb 0.50 0.35 -0.01 0.00 -0.00 0.00 0.00 29.99 30.83 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 -2.21 4.06 0.11 -0.41 0.00 -1.26 -4.72 118.16 113.73 1bnp n LYS 35 Ca 0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 58.31 57.96 1bnp n LYS 35 Cb 0.00 -0.81 -0.09 0.00 -0.00 0.00 0.00 35.03 34.13 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 0.25 -1.37 0.00 5.58 5.03 -1.91 -0.24 116.97 124.32 1bnp h TYR 36 Ca 0.00 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1bnp h TYR 36 Cb 0.14 0.58 -0.00 0.00 1.55 0.00 0.00 36.73 39.00 1bnp h TYR 36 CO 0.00 -0.56 -0.01 -2.95 -1.32 0.00 0.00 178.16 173.32 1bnp h ASN 37 N -0.70 0.00 -0.53 -2.11 7.08 -1.97 -2.15 115.58 115.20 1bnp h ASN 37 Ca 0.01 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.27 1bnp h ASN 37 Cb 0.72 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.93 1bnp h ASN 37 CO -0.28 0.01 0.35 0.00 -2.08 0.00 0.00 177.43 175.43 1bnp h ALA 38 N 1.99 1.76 0.00 4.14 0.00 -1.32 -1.18 119.26 124.65 1bnp h ALA 38 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bnp h ALA 38 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bnp h ALA 38 CO 0.00 0.18 -0.62 1.88 0.00 0.00 0.00 179.25 180.69 1bnp h TYR 39 N 0.58 0.00 0.03 0.00 0.05 -1.36 -2.98 116.97 113.29 1bnp h TYR 39 Ca 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 1bnp h TYR 39 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1bnp h TYR 39 CO -0.00 0.00 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.01 1bnp h ARG 40 N 0.00 -0.04 -0.18 4.88 9.65 -1.22 -2.28 114.38 125.19 1bnp h ARG 40 Ca 0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1bnp h ARG 40 Cb 0.94 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1bnp h ARG 40 CO 0.00 0.56 -0.63 -0.22 2.80 0.00 0.00 179.97 182.48 1bnp h LYS 41 N -0.67 0.64 0.63 0.20 3.64 -1.60 -2.98 116.57 116.43 1bnp h LYS 41 Ca -0.00 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1bnp h LYS 41 Cb 0.61 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1bnp h LYS 41 CO 0.01 1.07 -0.30 0.00 -2.27 0.00 0.00 179.45 177.95 1bnp h ALA 42 N 0.83 -0.84 -0.47 5.00 0.00 -1.35 -2.54 119.26 119.88 1bnp h ALA 42 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 42 Cb 1.21 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1bnp h ALA 42 CO 0.12 -0.96 0.34 0.00 0.00 0.00 0.00 179.25 178.75 1bnp h ALA 43 N -0.49 2.38 -0.32 0.00 0.00 -1.47 -0.79 119.26 118.57 1bnp h ALA 43 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 43 Cb 0.65 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bnp h ALA 43 CO 0.14 -0.51 -0.12 0.77 0.00 0.00 0.00 179.25 179.52 1bnp h SER 44 N 0.05 0.54 0.77 0.00 0.02 -1.29 -1.48 113.55 112.15 1bnp h SER 44 Ca 0.23 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1bnp h SER 44 Cb 0.84 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1bnp h SER 44 CO -0.01 0.69 -1.31 0.55 -1.14 0.00 0.00 176.83 175.61 1bnp n VAL 45 N -4.19 1.03 0.64 2.27 3.14 -0.38 -3.94 118.33 116.90 1bnp n VAL 45 Ca 0.01 -0.65 0.12 0.00 -2.96 0.00 0.00 64.34 60.85 1bnp n VAL 45 Cb 0.33 -0.63 0.10 0.00 -1.06 0.00 0.00 33.84 32.58 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 -2.83 0.20 -0.05 1.55 -5.35 -0.71 -3.46 119.36 108.72 1bnp n ILE 46 Ca -0.07 -0.21 -0.17 0.00 -0.27 0.00 0.00 62.75 62.03 1bnp n ILE 46 Cb 0.76 0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 38.66 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 2.61 0.04 0.32 -1.28 0.00 -1.41 -3.22 119.26 116.32 1bnp h ALA 47 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1bnp h ALA 47 Cb 0.69 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bnp h ALA 47 CO 0.00 0.25 -0.15 0.87 0.00 0.00 0.00 179.25 180.21 1bnp h LYS 48 N -0.82 -0.41 -6.91 0.00 1.79 -1.75 -3.43 116.57 105.04 1bnp h LYS 48 Ca -0.10 0.03 -0.52 0.00 -2.18 0.00 0.00 60.65 57.87 1bnp h LYS 48 Cb 1.23 0.09 0.07 0.00 -1.58 0.00 0.00 32.23 32.04 1bnp h LYS 48 CO 0.00 -0.08 0.61 -0.47 -1.08 0.00 0.00 179.45 178.43 1bnp s TYR 49 N -4.21 3.00 -1.09 -1.35 5.04 -1.22 -4.84 117.35 112.68 1bnp s TYR 49 Ca -0.13 1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 55.69 1bnp s TYR 49 Cb 0.02 -3.62 -0.15 0.00 0.35 0.00 0.00 41.96 38.55 1bnp s TYR 49 CO 0.48 -1.81 2.05 -2.14 -1.34 0.00 0.00 175.55 172.79 1bnp s PRO 50 N -1.99 1.88 0.00 4.97 0.02 -1.26 -4.69 135.00 133.93 1bnp s PRO 50 Ca 0.52 -0.66 0.00 0.00 0.02 0.00 0.00 61.00 60.88 1bnp s PRO 50 Cb -0.38 -5.08 0.00 0.00 0.02 0.00 0.00 34.50 29.06 1bnp s PRO 50 CO 0.49 -4.61 0.00 -2.39 -0.33 0.00 0.00 177.00 170.16 1bnp n HIS 51 N 16.92 0.00 -3.45 6.54 1.44 -1.21 -4.88 115.22 130.57 1bnp n HIS 51 Ca 0.43 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.81 1bnp n HIS 51 Cb 0.46 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.61 1bnp n HIS 51 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1bnp n LYS 52 N 0.00 -1.66 -5.17 -1.40 2.85 -1.26 -4.98 118.16 106.54 1bnp n LYS 52 Ca 0.00 1.32 -0.29 0.00 -1.05 0.00 0.00 58.31 58.29 1bnp n LYS 52 Cb 0.00 -1.89 -0.16 0.00 -0.65 0.00 0.00 35.03 32.33 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 -1.39 1.87 0.03 0.58 -4.36 -1.26 -5.01 121.20 111.66 1bnp s ILE 53 Ca 0.32 -1.00 0.10 0.00 -0.26 0.00 0.00 60.65 59.81 1bnp s ILE 53 Cb -0.03 -1.56 -0.16 0.00 1.25 0.00 0.00 42.46 41.96 1bnp s ILE 53 CO 0.73 0.53 1.20 0.11 0.24 0.00 0.00 174.94 177.74 1bnp h LYS 54 N 5.69 0.00 0.00 0.37 6.56 -1.93 -3.45 116.57 123.81 1bnp h LYS 54 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1bnp h LYS 54 Cb 1.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1bnp h LYS 54 CO 0.47 0.80 0.00 0.43 -2.06 0.00 0.00 179.45 179.09 1bnp n SER 55 N -3.26 0.39 -0.01 0.86 7.64 -1.26 -4.92 113.62 113.06 1bnp n SER 55 Ca -0.03 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1bnp n SER 55 Cb 0.91 0.00 -0.04 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 5.00 -0.26 0.32 0.23 0.00 -1.26 -4.57 105.19 104.65 1bnp n GLY 56 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 0.41 1.60 -0.21 4.61 0.00 -1.97 -2.06 119.26 121.65 1bnp h ALA 57 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 57 Cb 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1bnp h ALA 57 CO 0.00 -0.15 0.10 0.93 0.00 0.00 0.00 179.25 180.13 1bnp h GLU 58 N 0.00 0.31 -0.00 0.00 5.08 -2.00 -1.54 114.58 116.43 1bnp h GLU 58 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bnp h GLU 58 Cb 0.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1bnp h GLU 58 CO -0.00 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 178.36 1bnp h ALA 59 N 0.96 1.04 0.16 3.43 0.00 -1.67 -1.77 119.26 121.41 1bnp h ALA 59 Ca 0.07 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 59 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bnp h ALA 59 CO -0.01 -0.02 -1.43 -0.22 0.00 0.00 0.00 179.25 177.57 1bnp h LYS 60 N 0.00 0.34 -0.51 0.00 3.64 -1.32 -3.31 116.57 115.42 1bnp h LYS 60 Ca 0.00 -0.58 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 1bnp h LYS 60 Cb 0.05 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1bnp h LYS 60 CO -0.00 1.25 0.18 1.57 -2.27 0.00 0.00 179.45 180.18 1bnp h LYS 61 N 0.09 0.75 -6.42 1.90 2.10 -0.93 -3.40 116.57 110.67 1bnp h LYS 61 Ca -0.21 -0.12 -0.57 0.00 -2.00 0.00 0.00 60.65 57.75 1bnp h LYS 61 Cb 2.05 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 33.18 1bnp h LYS 61 CO 0.21 0.64 0.89 -0.51 -2.00 0.00 0.00 179.45 178.68 1bnp s LEU 62 N -9.38 3.84 -0.67 7.07 1.43 -1.17 -4.93 118.68 114.87 1bnp s LEU 62 Ca -0.09 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 53.68 1bnp s LEU 62 Cb 0.16 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 1bnp s LEU 62 CO 0.78 -1.01 2.35 -2.16 0.23 0.00 0.00 176.35 176.54 1bnp s PRO 63 N 3.96 1.89 0.00 1.29 0.04 -1.26 -2.61 135.00 138.31 1bnp s PRO 63 Ca 0.48 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1bnp s PRO 63 Cb -0.12 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1bnp s PRO 63 CO 0.21 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 173.80 1bnp n GLY 64 N 6.45 0.41 3.49 0.56 0.00 -1.26 -4.92 105.19 109.92 1bnp n GLY 64 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 2.73 -5.00 1.61 1.01 -1.07 -2.72 120.40 116.96 1bnp s VAL 65 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1bnp s VAL 65 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1bnp s VAL 65 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1bnp n GLY 66 N 0.29 0.77 5.17 4.51 0.00 -1.26 -4.08 105.19 110.59 1bnp n GLY 66 Ca -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 9.00 0.00 0.00 2.61 -1.04 -1.26 -2.09 114.28 121.50 1bnp n THR 67 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bnp n THR 67 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bnp n LYS 68 N 0.00 2.23 0.23 -2.82 3.00 -1.26 -4.72 118.16 114.83 1bnp n LYS 68 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1bnp n LYS 68 Cb 0.00 -0.85 0.56 0.00 0.00 0.00 0.00 35.03 34.74 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 0.94 -0.01 3.15 5.03 -1.78 -2.22 117.51 122.62 1bnp h ILE 69 Ca 0.00 -0.72 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1bnp h ILE 69 Cb 0.31 1.41 -0.00 0.00 -3.03 0.00 0.00 36.82 35.51 1bnp h ILE 69 CO 0.00 0.19 0.01 0.00 -0.68 0.00 0.00 178.15 177.67 1bnp h ALA 70 N 1.80 1.62 -0.02 1.87 0.00 -1.84 -2.43 119.26 120.26 1bnp h ALA 70 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 70 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bnp h ALA 70 CO 0.03 -0.02 -0.10 1.49 0.00 0.00 0.00 179.25 180.65 1bnp h GLU 71 N 0.00 0.10 -0.91 0.00 4.81 -1.73 -2.77 114.58 114.08 1bnp h GLU 71 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1bnp h GLU 71 Cb 0.03 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1bnp h GLU 71 CO -0.00 0.77 0.58 0.87 -0.73 0.00 0.00 179.01 180.50 1bnp h LYS 72 N -0.54 1.21 -0.59 1.92 6.56 -1.56 -1.53 116.57 122.05 1bnp h LYS 72 Ca -0.01 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1bnp h LYS 72 Cb 0.79 -0.27 -0.03 0.00 -0.57 0.00 0.00 32.23 32.16 1bnp h LYS 72 CO 0.02 0.81 0.24 0.82 -2.06 0.00 0.00 179.45 179.29 1bnp h ILE 73 N 1.24 1.22 0.00 1.86 2.04 -1.50 -1.06 117.51 121.31 1bnp h ILE 73 Ca 0.33 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1bnp h ILE 73 Cb -0.11 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1bnp h ILE 73 CO -0.07 0.27 -0.14 -0.78 0.00 0.00 0.00 178.15 177.43 1bnp h ASP 74 N 0.81 0.00 -0.46 1.72 1.82 -1.11 -1.55 116.42 117.65 1bnp h ASP 74 Ca 0.20 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1bnp h ASP 74 Cb 0.19 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1bnp h ASP 74 CO -0.02 0.14 0.15 -0.08 -1.61 0.00 0.00 179.24 177.83 1bnp h GLU 75 N 0.00 0.77 0.13 0.28 4.57 -0.20 0.84 114.58 120.97 1bnp h GLU 75 Ca -0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1bnp h GLU 75 Cb 0.31 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1bnp h GLU 75 CO 0.02 0.67 -0.06 0.74 -1.18 0.00 0.00 179.01 179.20 1bnp h PHE 76 N 0.75 -0.16 -0.43 0.92 0.04 -1.06 -2.66 116.94 114.34 1bnp h PHE 76 Ca 0.17 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1bnp h PHE 76 Cb 0.23 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1bnp h PHE 76 CO 0.01 -0.02 0.00 1.28 -0.60 0.00 0.00 178.31 178.98 1bnp n LEU 77 N -5.12 2.97 -0.02 1.54 4.77 -1.03 -4.41 117.00 115.70 1bnp n LEU 77 Ca -0.08 -1.50 -0.01 0.00 -0.03 0.00 0.00 56.01 54.39 1bnp n LEU 77 Cb 0.13 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1bnp n LEU 77 CO 0.34 0.57 -0.10 0.00 -1.33 0.00 0.00 177.39 176.87 1bnp n ALA 78 N 0.70 0.12 0.00 -1.18 0.00 0.29 -4.96 120.51 115.47 1bnp n ALA 78 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1bnp n ALA 78 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.88 0.00 -2.58 0.00 5.66 -1.22 -5.07 114.28 108.19 1bnp n THR 79 Ca -0.02 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.95 1bnp n THR 79 Cb 0.07 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.87 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bnp n GLY 80 N -1.50 -0.81 3.36 1.09 0.00 -1.24 -5.06 105.19 101.04 1bnp n GLY 80 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1bnp n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bnp s LYS 81 N -3.25 1.43 1.94 1.61 2.20 -1.26 -4.96 119.74 117.44 1bnp s LYS 81 Ca 0.08 -1.74 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 1bnp s LYS 81 Cb -0.01 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1bnp s LYS 81 CO 0.50 -0.12 0.00 1.28 -0.36 0.00 0.00 175.35 176.65 1bnp n LEU 82 N -0.49 0.00 -2.93 5.43 4.77 -1.26 -4.82 117.00 117.69 1bnp n LEU 82 Ca -0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1bnp n LEU 82 Cb 0.65 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1bnp n LEU 82 CO 0.38 0.00 0.17 -1.14 -1.33 0.00 0.00 177.39 175.47 1bnp n ARG 83 N 0.00 -1.95 -3.39 3.23 0.63 -1.26 -5.05 116.66 108.87 1bnp n ARG 83 Ca 0.00 1.87 0.03 0.00 -0.92 0.00 0.00 57.85 58.83 1bnp n ARG 83 Cb 0.00 -5.71 -0.05 0.00 0.45 0.00 0.00 32.46 27.15 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 -2.77 0.07 -0.30 -0.14 0.00 -1.26 -5.17 119.74 110.18 1bnp s LYS 84 Ca 0.15 0.15 -0.20 0.00 0.00 0.00 0.00 55.97 56.07 1bnp s LYS 84 Cb -0.04 0.06 0.19 0.00 0.00 0.00 0.00 37.83 38.04 1bnp s LYS 84 CO 0.76 -0.02 1.27 -0.48 0.00 0.00 0.00 175.35 176.88 1bnp s LEU 85 N 1.67 -0.15 0.41 2.77 0.05 -1.26 -5.16 118.68 117.02 1bnp s LEU 85 Ca -0.03 0.26 -0.22 0.00 0.05 0.00 0.00 54.13 54.18 1bnp s LEU 85 Cb -0.02 1.25 -0.10 0.00 -2.05 0.00 0.00 46.19 45.27 1bnp s LEU 85 CO -0.14 -0.04 0.98 -0.70 -0.55 0.00 0.00 176.35 175.90 1bnp s GLU 86 N 0.62 4.23 0.00 1.48 2.12 -1.26 -5.35 118.70 120.54 1bnp s GLU 86 Ca -0.01 1.26 0.06 0.00 0.36 0.00 0.00 54.97 56.63 1bnp s GLU 86 Cb -0.04 -2.35 0.35 0.00 0.26 0.00 0.00 34.13 32.35 1bnp s GLU 86 CO -0.12 -0.04 0.81 1.63 -0.54 0.00 0.00 175.26 177.00