#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 0.08 0.00 7.83 0.01 -1.26 -4.95 113.70 115.41 1bnp s SER 2 Ca 0.00 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 55.14 1bnp s SER 2 Cb 0.00 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1bnp s SER 2 CO 0.00 -0.14 0.00 1.17 0.41 0.00 0.00 173.24 174.68 1bnp n LYS 3 N 3.25 0.00 -2.11 12.44 3.00 -1.26 -5.14 118.16 128.35 1bnp n LYS 3 Ca 0.20 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.24 1bnp n LYS 3 Cb 0.51 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.64 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 -1.73 1.74 0.57 1.64 1.81 -1.26 -5.02 118.95 116.70 1bnp s ARG 4 Ca 0.00 -0.29 -0.20 0.00 -1.72 0.00 0.00 55.73 53.52 1bnp s ARG 4 Cb 0.00 -2.06 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 1bnp s ARG 4 CO 0.00 -1.61 1.27 0.15 -0.68 0.00 0.00 175.30 174.42 1bnp s LYS 5 N -5.46 3.03 0.74 3.54 1.02 -1.26 -4.95 119.74 116.40 1bnp s LYS 5 Ca 0.64 2.00 -0.15 0.00 0.02 0.00 0.00 55.97 58.48 1bnp s LYS 5 Cb -0.09 -2.07 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1bnp s LYS 5 CO 0.48 -1.20 1.21 0.00 -0.92 0.00 0.00 175.35 174.91 1bnp s ALA 6 N -1.45 2.10 0.14 5.17 0.00 -1.26 -4.89 121.76 121.56 1bnp s ALA 6 Ca 0.75 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 53.27 1bnp s ALA 6 Cb -0.35 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 1bnp s ALA 6 CO 0.39 -1.91 1.75 -1.25 0.00 0.00 0.00 175.76 174.74 1bnp s PRO 7 N -3.94 4.15 -0.13 0.00 0.04 -1.26 -4.91 135.00 128.95 1bnp s PRO 7 Ca 0.74 2.53 -0.13 0.00 0.04 0.00 0.00 61.00 64.18 1bnp s PRO 7 Cb -0.29 -3.42 -0.25 0.00 0.04 0.00 0.00 34.50 30.58 1bnp s PRO 7 CO 0.46 -0.78 0.39 0.37 0.04 0.00 0.00 177.00 177.48 1bnp h GLN 8 N 7.93 0.20 -5.83 4.56 5.75 -1.95 -3.48 115.11 122.28 1bnp h GLN 8 Ca -0.44 -0.34 -0.40 0.00 -0.15 0.00 0.00 58.65 57.32 1bnp h GLN 8 Cb 1.21 0.13 0.14 0.00 1.07 0.00 0.00 27.48 30.03 1bnp h GLN 8 CO 0.94 1.16 -0.68 0.39 -2.65 0.00 0.00 178.83 178.00 1bnp n GLU 9 N -3.84 -7.95 0.00 1.69 -0.58 -1.26 -4.59 120.64 104.11 1bnp n GLU 9 Ca -0.30 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1bnp n GLU 9 Cb 0.92 -5.88 0.00 0.00 -0.57 0.00 0.00 31.44 25.91 1bnp n GLU 9 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1bnp n THR 10 N -4.99 0.00 -2.38 2.62 5.66 -1.26 -5.05 114.28 108.88 1bnp n THR 10 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1bnp n THR 10 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 1bnp n THR 10 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1bnp s LEU 11 N -1.14 3.45 0.00 1.09 2.96 -1.26 -4.56 118.68 119.22 1bnp s LEU 11 Ca 0.00 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.33 1bnp s LEU 11 Cb 0.00 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.12 1bnp s LEU 11 CO 0.00 -1.93 0.00 -3.20 -1.32 0.00 0.00 176.35 169.90 1bnp n ASN 12 N 10.71 0.00 -0.97 3.68 2.85 -1.26 -5.02 115.26 125.25 1bnp n ASN 12 Ca 0.41 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.89 1bnp n ASN 12 Cb 0.48 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 3.03 -0.92 0.00 8.20 0.00 -1.26 -4.89 105.19 109.35 1bnp n GLY 13 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.24 1.81 0.06 -0.02 0.00 -1.26 -4.60 105.19 100.94 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 -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 -3.35 117.51 113.67 1bnp h ILE 15 Ca 0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 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 0.01 0.00 0.00 0.00 0.00 178.15 178.16 1bnp h THR 16 N -0.85 0.00 0.01 -0.27 1.03 -1.93 -2.02 112.91 108.88 1bnp h THR 16 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1bnp h THR 16 Cb 0.38 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1bnp h THR 16 CO 0.00 0.00 -0.01 -0.78 -0.01 0.00 0.00 175.52 174.72 1bnp h ASP 17 N 0.00 -0.01 0.98 0.00 1.82 -1.97 -1.67 116.42 115.57 1bnp h ASP 17 Ca 0.00 -0.77 -0.07 0.00 -0.39 0.00 0.00 57.03 55.81 1bnp h ASP 17 Cb 0.02 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 1bnp h ASP 17 CO 0.00 0.78 -0.31 0.24 -1.61 0.00 0.00 179.24 178.34 1bnp h MET 18 N -0.83 0.00 0.04 0.28 2.86 -1.59 -0.61 114.93 115.08 1bnp h MET 18 Ca -0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1bnp h MET 18 Cb 0.78 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.46 1bnp h MET 18 CO 0.00 0.31 -1.07 1.25 1.06 0.00 0.00 176.91 178.47 1bnp h LEU 19 N 0.00 0.87 0.00 1.22 5.85 -1.45 -2.91 115.31 118.89 1bnp h LEU 19 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1bnp h LEU 19 Cb 0.89 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1bnp h LEU 19 CO 0.04 1.54 0.00 0.52 -0.34 0.00 0.00 178.44 180.20 1bnp n VAL 20 N -3.87 0.01 -0.07 1.05 0.31 -0.63 -2.95 118.33 112.18 1bnp n VAL 20 Ca -0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1bnp n VAL 20 Cb 0.90 -0.51 -0.08 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.00 -0.15 5.55 4.57 -0.90 0.12 114.58 123.77 1bnp h GLU 21 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1bnp h GLU 21 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1bnp h GLU 21 CO 0.00 0.62 -0.00 1.25 -1.18 0.00 0.00 179.01 179.70 1bnp h LEU 22 N -1.00 0.19 -0.20 1.64 7.12 -1.62 0.95 115.31 122.40 1bnp h LEU 22 Ca -0.06 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.79 1bnp h LEU 22 Cb 0.73 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.79 1bnp h LEU 22 CO -0.04 0.23 -0.68 0.00 -0.13 0.00 0.00 178.44 177.83 1bnp h ALA 23 N 1.80 0.62 0.00 1.25 0.00 -1.62 -2.85 119.26 118.46 1bnp h ALA 23 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1bnp h ALA 23 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnp h ALA 23 CO 0.00 0.85 0.00 0.09 0.00 0.00 0.00 179.25 180.19 1bnp n ASN 24 N -3.36 0.00 -0.15 0.00 5.03 0.41 -4.02 115.26 113.16 1bnp n ASN 24 Ca 0.01 0.35 0.12 0.00 0.87 0.00 0.00 54.58 55.93 1bnp n ASN 24 Cb 0.77 -0.43 0.23 0.00 -1.02 0.00 0.00 39.78 39.33 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1bnp n PHE 25 N -1.43 0.47 -4.17 3.10 3.01 -0.88 -4.73 117.46 112.84 1bnp n PHE 25 Ca 0.05 0.56 -0.35 0.00 1.01 0.00 0.00 57.45 58.72 1bnp n PHE 25 Cb 0.17 -0.96 -0.02 0.00 -0.01 0.00 0.00 39.48 38.67 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 -4.20 -3.52 0.03 -1.08 1.02 -1.26 -4.49 120.64 107.14 1bnp n GLU 26 Ca 0.16 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1bnp n GLU 26 Cb 0.53 -5.14 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 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 -4.43 0.00 -0.41 3.49 0.00 -1.26 -4.85 118.16 110.70 1bnp n LYS 27 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.41 1bnp n LYS 27 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.74 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1bnp n ASN 28 N -2.27 3.18 0.00 3.14 5.15 -1.26 -4.43 115.26 118.77 1bnp n ASN 28 Ca 0.00 -2.37 0.00 0.00 -0.60 0.00 0.00 54.58 51.61 1bnp n ASN 28 Cb 0.00 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 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 0.43 0.00 -1.79 3.44 0.31 -1.26 -5.03 118.33 114.43 1bnp n VAL 29 Ca 0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.22 1bnp n VAL 29 Cb 0.65 -0.07 -0.05 0.00 -0.91 0.00 0.00 33.84 33.46 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bnp s SER 30 N -2.24 4.59 0.07 4.52 0.01 -1.26 -3.78 113.70 115.61 1bnp s SER 30 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1bnp s SER 30 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1bnp s SER 30 CO 0.00 -3.11 0.00 0.00 0.41 0.00 0.00 173.24 170.54 1bnp n GLN 31 N 8.93 0.00 0.00 12.44 10.64 -1.26 -4.57 117.38 143.55 1bnp n GLN 31 Ca 0.39 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1bnp n GLN 31 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1bnp n ALA 32 N -2.82 0.00 -2.44 2.61 0.00 -1.25 -5.17 120.51 111.45 1bnp n ALA 32 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1bnp n ALA 32 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 4.97 0.07 0.00 -1.09 -1.26 -5.00 121.20 118.89 1bnp s ILE 33 Ca 0.00 0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.40 1bnp s ILE 33 Cb 0.00 -3.76 -0.14 0.00 -1.58 0.00 0.00 42.46 36.98 1bnp s ILE 33 CO 0.00 -0.44 1.32 1.12 -1.23 0.00 0.00 174.94 175.71 1bnp h HIS 34 N 1.36 0.80 0.00 3.97 2.07 -2.02 -2.93 115.15 118.40 1bnp h HIS 34 Ca -0.48 -0.30 0.00 0.00 -2.85 0.00 0.00 60.37 56.74 1bnp h HIS 34 Cb 1.19 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.03 1bnp h HIS 34 CO 0.58 1.07 0.00 1.57 -3.07 0.00 0.00 177.93 178.08 1bnp h LYS 35 N 0.31 0.00 -0.82 5.12 2.10 -2.00 -3.25 116.57 118.02 1bnp h LYS 35 Ca -0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1bnp h LYS 35 Cb 1.05 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.34 1bnp h LYS 35 CO 0.10 0.00 0.54 -0.92 -2.00 0.00 0.00 179.45 177.17 1bnp h TYR 36 N 0.00 1.02 0.00 0.07 3.20 -1.85 -0.54 116.97 118.87 1bnp h TYR 36 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1bnp h TYR 36 Cb 0.72 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1bnp h TYR 36 CO 0.00 0.62 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.20 1bnp h ASN 37 N 1.08 0.00 -0.79 -2.11 2.35 -1.63 -3.17 115.58 111.31 1bnp h ASN 37 Ca 0.31 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.19 1bnp h ASN 37 Cb -0.07 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 1bnp h ASN 37 CO -0.09 0.03 0.52 0.00 -1.65 0.00 0.00 177.43 176.25 1bnp h ALA 38 N 1.97 1.93 0.00 -0.83 0.00 -1.20 -0.78 119.26 120.35 1bnp h ALA 38 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bnp h ALA 38 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1bnp h ALA 38 CO 0.00 -0.13 -0.92 0.66 0.00 0.00 0.00 179.25 178.87 1bnp n TYR 39 N -4.51 0.82 -0.03 0.00 4.01 -1.20 -2.91 117.16 113.33 1bnp n TYR 39 Ca 0.15 0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.99 1bnp n TYR 39 Cb 0.44 -0.85 -0.09 0.00 -0.31 0.00 0.00 39.34 38.54 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 0.18 -0.06 -0.72 1.12 -1.22 -0.26 114.38 113.42 1bnp h ARG 40 Ca 0.00 -0.10 -0.12 0.00 -1.11 0.00 0.00 59.98 58.65 1bnp h ARG 40 Cb 0.92 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1bnp h ARG 40 CO 0.00 0.63 -0.43 0.87 -3.11 0.00 0.00 179.97 177.93 1bnp h LYS 41 N -0.26 0.40 0.00 0.20 1.57 -1.60 -2.72 116.57 114.15 1bnp h LYS 41 Ca 0.01 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1bnp h LYS 41 Cb 0.60 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1bnp h LYS 41 CO 0.02 1.00 -0.07 0.00 -0.57 0.00 0.00 179.45 179.82 1bnp h ALA 42 N 0.42 1.34 0.00 3.86 0.00 -1.60 -1.51 119.26 121.76 1bnp h ALA 42 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1bnp h ALA 42 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1bnp h ALA 42 CO 0.09 0.09 -0.53 0.00 0.00 0.00 0.00 179.25 178.90 1bnp h ALA 43 N 1.93 0.74 -0.00 0.00 0.00 -0.94 -2.11 119.26 118.87 1bnp h ALA 43 Ca -0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1bnp h ALA 43 Cb 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bnp h ALA 43 CO 0.01 0.43 -0.78 1.03 0.00 0.00 0.00 179.25 179.94 1bnp h SER 44 N 0.00 0.01 0.38 0.00 0.87 -0.96 -2.05 113.55 111.81 1bnp h SER 44 Ca -0.02 -0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.22 1bnp h SER 44 Cb 1.27 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.18 1bnp h SER 44 CO 0.04 0.78 -1.82 0.55 -0.53 0.00 0.00 176.83 175.85 1bnp n VAL 45 N -3.62 1.62 -0.02 2.23 3.14 -1.13 -3.32 118.33 117.24 1bnp n VAL 45 Ca -0.01 -0.77 -0.16 0.00 -2.96 0.00 0.00 64.34 60.44 1bnp n VAL 45 Cb 0.75 -1.13 -0.11 0.00 -1.06 0.00 0.00 33.84 32.29 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.01 1.52 -0.72 1.55 5.03 -1.44 -1.10 117.51 122.36 1bnp h ILE 46 Ca -0.34 -2.01 -0.04 0.00 -0.12 0.00 0.00 64.86 62.36 1bnp h ILE 46 Cb 2.03 2.74 -0.03 0.00 -3.03 0.00 0.00 36.82 38.54 1bnp h ILE 46 CO 0.07 0.56 0.28 0.00 -0.68 0.00 0.00 178.15 178.39 1bnp h ALA 47 N 0.27 0.93 -0.02 1.87 0.00 -1.56 -1.14 119.26 119.60 1bnp h ALA 47 Ca -0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 47 Cb 1.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bnp h ALA 47 CO 0.07 0.56 -0.41 -0.22 0.00 0.00 0.00 179.25 179.24 1bnp h LYS 48 N 1.03 0.05 -7.01 0.00 3.64 -1.62 -3.44 116.57 109.21 1bnp h LYS 48 Ca 0.24 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 59.06 1bnp h LYS 48 Cb 0.22 -0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.23 1bnp h LYS 48 CO -0.02 0.46 -0.04 0.98 -2.27 0.00 0.00 179.45 178.56 1bnp n TYR 49 N -4.04 0.16 0.39 1.91 4.19 -0.42 -4.83 117.16 114.52 1bnp n TYR 49 Ca -0.02 0.35 0.05 0.00 3.31 0.00 0.00 57.90 61.59 1bnp n TYR 49 Cb 0.45 -1.97 0.23 0.00 0.49 0.00 0.00 39.34 38.54 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 -2.61 0.04 0.00 2.98 -0.05 -1.26 -4.96 135.00 129.14 1bnp n PRO 50 Ca 0.11 0.29 0.00 0.00 -0.05 0.00 0.00 63.50 63.85 1bnp n PRO 50 Cb 0.51 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.46 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bnp n HIS 51 N -1.44 0.00 0.00 0.54 8.25 -1.26 -4.88 115.22 116.43 1bnp n HIS 51 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1bnp n HIS 51 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.13 0.00 -2.00 -0.41 0.00 -1.26 -4.74 118.16 108.63 1bnp n LYS 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1bnp n LYS 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1bnp n LYS 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1bnp n ILE 53 N 0.00-11.22 -1.60 3.15 5.41 -1.26 -4.77 119.36 109.07 1bnp n ILE 53 Ca 0.00 2.60 -0.30 0.00 1.00 0.00 0.00 62.75 66.05 1bnp n ILE 53 Cb 0.00 -5.33 -0.05 0.00 -0.71 0.00 0.00 39.64 33.55 1bnp n ILE 53 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1bnp n LYS 54 N 1.48 2.95 -3.63 0.38 2.85 -1.26 -4.86 118.16 116.07 1bnp n LYS 54 Ca 0.00 -2.57 -0.03 0.00 -1.05 0.00 0.00 58.31 54.65 1bnp n LYS 54 Cb 0.00 -2.27 -0.03 0.00 -0.65 0.00 0.00 35.03 32.08 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bnp s SER 55 N 0.44 -0.09 -0.08 -5.58 0.15 -1.26 -5.04 113.70 102.25 1bnp s SER 55 Ca 0.58 0.06 0.19 0.00 0.70 0.00 0.00 55.95 57.48 1bnp s SER 55 Cb 0.33 0.08 -0.25 0.00 -1.71 0.00 0.00 66.02 64.46 1bnp s SER 55 CO -0.18 -0.10 0.39 0.61 1.20 0.00 0.00 173.24 175.16 1bnp n GLY 56 N 0.32 -1.05 0.21 9.45 0.00 -1.26 -4.13 105.19 108.74 1bnp n GLY 56 Ca 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 1.46 1.00 -0.45 4.61 0.00 -1.96 -2.56 119.26 121.37 1bnp h ALA 57 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1bnp h ALA 57 Cb 1.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1bnp h ALA 57 CO 0.02 0.00 0.33 1.05 0.00 0.00 0.00 179.25 180.65 1bnp h GLU 58 N 0.00 0.00 -0.74 0.00 -0.00 -1.99 -1.31 114.58 110.54 1bnp h GLU 58 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1bnp h GLU 58 Cb 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.80 1bnp h GLU 58 CO 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 179.01 179.47 1bnp h ALA 59 N 1.77 1.42 0.17 1.06 0.00 -1.76 -2.20 119.26 119.71 1bnp h ALA 59 Ca 0.21 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1bnp h ALA 59 Cb 0.86 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1bnp h ALA 59 CO -0.00 0.51 -1.61 0.87 0.00 0.00 0.00 179.25 179.02 1bnp h LYS 60 N 1.01 0.35 -0.28 0.00 1.57 -1.48 -3.31 116.57 114.42 1bnp h LYS 60 Ca 0.27 -0.60 0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1bnp h LYS 60 Cb -0.07 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1bnp h LYS 60 CO -0.05 1.25 0.19 1.57 -0.57 0.00 0.00 179.45 181.84 1bnp h LYS 61 N 0.10 0.26 -7.13 3.15 5.09 -1.27 -3.42 116.57 113.34 1bnp h LYS 61 Ca -0.28 -0.02 -0.46 0.00 0.09 0.00 0.00 60.65 59.98 1bnp h LYS 61 Cb 2.07 -0.06 0.21 0.00 0.10 0.00 0.00 32.23 34.56 1bnp h LYS 61 CO 0.19 0.17 -0.02 1.28 -2.09 0.00 0.00 179.45 178.98 1bnp n LEU 62 N -4.49 -0.27 -0.14 7.07 4.77 -0.85 -4.79 117.00 118.31 1bnp n LEU 62 Ca 0.02 -0.01 0.28 0.00 -0.03 0.00 0.00 56.01 56.27 1bnp n LEU 62 Cb 0.16 -1.30 0.66 0.00 -2.33 0.00 0.00 43.42 40.61 1bnp n LEU 62 CO 0.35 -3.01 1.25 -0.65 -1.33 0.00 0.00 177.39 174.00 1bnp h PRO 63 N -2.46 0.00 0.00 3.23 0.11 -1.88 -3.46 132.00 127.54 1bnp h PRO 63 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1bnp h PRO 63 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1bnp h PRO 63 CO 0.46 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 1bnp n GLY 64 N -1.65 3.06 0.11 -0.55 0.00 -1.26 -5.10 105.19 99.80 1bnp n GLY 64 Ca 0.18 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bnp n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bnp n VAL 65 N 0.68 0.00 -1.95 1.61 0.31 -1.26 -4.89 118.33 112.83 1bnp n VAL 65 Ca 0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 1bnp n VAL 65 Cb 0.00 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 1bnp n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bnp n GLY 66 N 3.56 0.69 3.56 2.92 0.00 -1.26 -4.96 105.19 109.69 1bnp n GLY 66 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -5.54 0.00 2.61 -2.24 -1.26 -4.77 114.28 103.08 1bnp n THR 67 Ca -0.13 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1bnp n THR 67 Cb 0.57 -4.23 0.00 0.00 -2.10 0.00 0.00 70.33 64.57 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 -2.32 0.00 0.00 -0.78 4.81 -1.26 -4.94 118.16 113.67 1bnp n LYS 68 Ca -0.22 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1bnp n LYS 68 Cb 0.63 0.00 0.43 0.00 0.02 0.00 0.00 35.03 36.11 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1bnp n ILE 69 N -0.58 0.00 -0.35 3.15 -0.00 -1.26 -3.96 119.36 116.36 1bnp n ILE 69 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 62.75 62.68 1bnp n ILE 69 Cb 0.00 0.10 0.12 0.00 -0.00 0.00 0.00 39.64 39.86 1bnp n ILE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bnp h ALA 70 N 3.34 1.27 0.00 -1.39 0.00 -1.93 -0.81 119.26 119.74 1bnp h ALA 70 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1bnp h ALA 70 Cb 0.46 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bnp h ALA 70 CO 0.00 0.65 -0.15 1.05 0.00 0.00 0.00 179.25 180.80 1bnp h GLU 71 N 1.29 0.00 -0.39 0.00 4.11 -1.94 -2.23 114.58 115.42 1bnp h GLU 71 Ca 0.34 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.62 1bnp h GLU 71 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1bnp h GLU 71 CO -0.07 0.15 -0.36 -0.22 0.07 0.00 0.00 179.01 178.59 1bnp h LYS 72 N 0.00 0.93 -0.19 1.06 3.64 -1.38 -1.21 116.57 119.43 1bnp h LYS 72 Ca -0.00 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1bnp h LYS 72 Cb 0.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1bnp h LYS 72 CO 0.02 1.14 0.11 0.82 -2.27 0.00 0.00 179.45 179.27 1bnp h ILE 73 N 0.75 1.06 0.00 2.00 1.08 -1.05 -0.07 117.51 121.28 1bnp h ILE 73 Ca 0.07 -0.13 -0.11 0.00 -0.39 0.00 0.00 64.86 64.30 1bnp h ILE 73 Cb 0.95 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1bnp h ILE 73 CO 0.09 0.06 -0.64 -0.78 -0.69 0.00 0.00 178.15 176.19 1bnp h ASP 74 N 0.26 0.00 -0.68 1.72 3.58 -1.33 -2.80 116.42 117.17 1bnp h ASP 74 Ca 0.07 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.55 1bnp h ASP 74 Cb -0.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1bnp h ASP 74 CO -0.01 0.48 0.43 -0.08 -2.88 0.00 0.00 179.24 177.17 1bnp h GLU 75 N 0.00 0.81 0.14 0.28 4.22 0.24 0.88 114.58 121.15 1bnp h GLU 75 Ca -0.03 -0.05 -0.30 0.00 0.08 0.00 0.00 59.36 59.06 1bnp h GLU 75 Cb 1.39 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1bnp h GLU 75 CO 0.06 0.54 -1.46 0.74 -2.18 0.00 0.00 179.01 176.70 1bnp h PHE 76 N 0.84 0.54 -0.45 0.92 0.04 -1.61 -3.28 116.94 113.92 1bnp h PHE 76 Ca 0.27 -0.39 -0.14 0.00 2.80 0.00 0.00 57.97 60.51 1bnp h PHE 76 Cb 0.01 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.06 1bnp h PHE 76 CO -0.04 1.39 0.17 1.28 -0.60 0.00 0.00 178.31 180.51 1bnp n LEU 77 N -3.51 4.44 0.10 1.54 7.99 -1.00 -4.22 117.00 122.34 1bnp n LEU 77 Ca -0.15 -2.29 -0.22 0.00 -0.01 0.00 0.00 56.01 53.34 1bnp n LEU 77 Cb 1.05 -0.65 -0.15 0.00 -0.11 0.00 0.00 43.42 43.56 1bnp n LEU 77 CO 0.53 0.63 -0.34 0.00 -1.51 0.00 0.00 177.39 176.70 1bnp h ALA 78 N 2.40 0.05 -2.88 -1.18 0.00 0.71 -3.45 119.26 114.92 1bnp h ALA 78 Ca 0.17 -1.00 -0.41 0.00 0.00 0.00 0.00 54.91 53.66 1bnp h ALA 78 Cb 1.70 0.27 -0.39 0.00 0.00 0.00 0.00 17.79 19.37 1bnp h ALA 78 CO 0.45 0.92 -0.71 0.99 0.00 0.00 0.00 179.25 180.90 1bnp s THR 79 N -2.60 -0.17 -0.54 0.00 2.01 -1.26 -5.01 115.64 108.07 1bnp s THR 79 Ca -0.11 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1bnp s THR 79 Cb 0.05 -0.61 0.41 0.00 0.01 0.00 0.00 72.50 72.37 1bnp s THR 79 CO 0.89 -0.26 2.00 0.61 -0.69 0.00 0.00 174.62 177.17 1bnp n GLY 80 N 5.29 5.18 0.60 4.40 0.00 -1.26 -4.30 105.19 115.10 1bnp n GLY 80 Ca -0.06 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1bnp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnp n LYS 81 N -0.61 1.41 -1.99 1.61 4.76 -1.26 -5.05 118.16 117.04 1bnp n LYS 81 Ca 0.53 -3.09 -0.16 0.00 -2.87 0.00 0.00 58.31 52.72 1bnp n LYS 81 Cb 0.77 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 32.57 1bnp n LYS 81 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bnp n LEU 82 N -1.03 0.00 -2.15 -0.35 7.99 -1.26 -5.05 117.00 115.15 1bnp n LEU 82 Ca 0.17 -1.48 0.02 0.00 -0.01 0.00 0.00 56.01 54.71 1bnp n LEU 82 Cb 0.72 -0.44 0.03 0.00 -0.11 0.00 0.00 43.42 43.62 1bnp n LEU 82 CO -0.03 -0.83 0.04 -2.11 -1.51 0.00 0.00 177.39 172.95 1bnp n ARG 83 N -2.25 0.85 -0.01 3.23 1.85 -1.26 -4.89 116.66 114.17 1bnp n ARG 83 Ca 0.11 -2.69 -0.05 0.00 -1.00 0.00 0.00 57.85 54.22 1bnp n ARG 83 Cb 0.41 -0.76 -0.02 0.00 -1.05 0.00 0.00 32.46 31.05 1bnp n ARG 83 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1bnp n LYS 84 N -0.06 0.12 -3.57 2.89 5.02 -1.26 -5.02 118.16 116.27 1bnp n LYS 84 Ca 0.06 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.14 1bnp n LYS 84 Cb 0.97 -0.70 0.06 0.00 -0.02 0.00 0.00 35.03 35.34 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bnp n LEU 85 N -3.42 -3.01 -1.31 -0.35 4.32 -1.26 -4.54 117.00 107.43 1bnp n LEU 85 Ca -0.08 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 1bnp n LEU 85 Cb 0.41 -2.88 0.00 0.00 -1.62 0.00 0.00 43.42 39.33 1bnp n LEU 85 CO 0.02 0.52 -0.38 1.21 -1.22 0.00 0.00 177.39 177.55 1bnp n GLU 86 N -4.73 -3.74 0.00 3.23 2.13 -1.26 -5.21 120.64 111.06 1bnp n GLU 86 Ca -0.00 2.80 0.14 0.00 0.66 0.00 0.00 57.16 60.75 1bnp n GLU 86 Cb 0.56 -3.17 0.48 0.00 0.27 0.00 0.00 31.44 29.57 1bnp n GLU 86 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89