#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 0.45 -0.44 3.17 1.04 -1.26 -5.13 113.70 111.54 1bnp s SER 2 Ca 0.00 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.15 1bnp s SER 2 Cb 0.00 0.30 0.18 0.00 0.10 0.00 0.00 66.02 66.60 1bnp s SER 2 CO 0.00 -0.78 0.54 -1.59 0.98 0.00 0.00 173.24 172.39 1bnp s LYS 3 N -4.10 0.89 0.58 4.02 -2.85 -1.26 -4.98 119.74 112.04 1bnp s LYS 3 Ca 0.35 -1.14 0.31 0.00 -1.00 0.00 0.00 55.97 54.48 1bnp s LYS 3 Cb 0.07 -0.51 1.77 0.00 -2.06 0.00 0.00 37.83 37.10 1bnp s LYS 3 CO 0.10 -1.29 2.21 0.00 0.10 0.00 0.00 175.35 176.47 1bnp h ARG 4 N 5.95 0.00 0.00 1.78 2.47 -2.03 -3.45 114.38 119.09 1bnp h ARG 4 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1bnp h ARG 4 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1bnp h ARG 4 CO 0.15 0.04 0.00 1.63 0.56 0.00 0.00 179.97 182.35 1bnp n LYS 5 N -3.70 0.00 -2.82 0.04 4.76 -1.26 -4.68 118.16 110.50 1bnp n LYS 5 Ca -0.03 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 1bnp n LYS 5 Cb 0.13 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.25 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bnp s ALA 6 N -1.00 3.13 0.82 7.82 0.00 -1.26 -5.03 121.76 126.24 1bnp s ALA 6 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1bnp s ALA 6 Cb 0.00 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 20.07 1bnp s ALA 6 CO 0.00 0.16 1.12 -1.25 0.00 0.00 0.00 175.76 175.80 1bnp s PRO 7 N -2.66 1.76 -0.38 0.00 0.04 -1.26 -4.97 135.00 127.54 1bnp s PRO 7 Ca 0.56 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1bnp s PRO 7 Cb -0.13 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1bnp s PRO 7 CO 0.18 -2.05 0.66 -1.14 0.04 0.00 0.00 177.00 174.69 1bnp s GLN 8 N -4.68 3.60 0.00 4.56 2.00 -1.26 -5.02 119.66 118.87 1bnp s GLN 8 Ca 0.65 -0.00 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 1bnp s GLN 8 Cb -0.21 -3.84 0.00 0.00 0.80 0.00 0.00 33.01 29.76 1bnp s GLN 8 CO 0.55 -0.81 0.00 0.39 -0.50 0.00 0.00 175.29 174.92 1bnp n GLU 9 N 6.15 0.42 -0.75 1.67 1.02 -1.26 -5.03 120.64 122.86 1bnp n GLU 9 Ca -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1bnp n GLU 9 Cb 0.48 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.16 1bnp n GLU 9 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bnp n THR 10 N 0.00 2.26 -2.95 2.62 -2.24 -1.26 -4.82 114.28 107.89 1bnp n THR 10 Ca 0.00 -1.17 -0.44 0.00 -2.27 0.00 0.00 64.05 60.17 1bnp n THR 10 Cb 0.00 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.20 4.84 -0.45 3.22 1.02 -1.26 -4.90 118.68 118.95 1bnp s LEU 11 Ca 0.42 -1.38 0.05 0.00 0.02 0.00 0.00 54.13 53.24 1bnp s LEU 11 Cb 0.33 -2.38 0.18 0.00 0.02 0.00 0.00 46.19 44.33 1bnp s LEU 11 CO 0.11 -1.26 0.48 0.21 0.02 0.00 0.00 176.35 175.91 1bnp s ASN 12 N 3.63 0.38 0.00 2.29 2.47 -1.26 -5.12 114.94 117.33 1bnp s ASN 12 Ca 0.22 -2.54 0.00 0.00 0.42 0.00 0.00 52.86 50.95 1bnp s ASN 12 Cb -0.16 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.07 1bnp s ASN 12 CO 0.04 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 1bnp n GLY 13 N 2.93 -1.88 0.00 1.21 0.00 -1.26 -4.96 105.19 101.23 1bnp n GLY 13 Ca 0.25 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 1.29 0.06 -0.02 0.00 -1.26 -4.83 105.19 100.43 1bnp n GLY 14 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.11 1.18 0.25 -0.61 5.41 -1.26 -3.93 119.36 120.30 1bnp n ILE 15 Ca 0.00 0.26 0.13 0.00 1.00 0.00 0.00 62.75 64.14 1bnp n ILE 15 Cb 0.00 -2.24 0.64 0.00 -0.71 0.00 0.00 39.64 37.33 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 -0.83 0.46 0.02 1.39 1.03 -1.92 -1.32 112.91 111.74 1bnp h THR 16 Ca 0.00 -0.75 -0.21 0.00 -0.01 0.00 0.00 66.41 65.44 1bnp h THR 16 Cb 0.45 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 1bnp h THR 16 CO 0.00 0.14 -0.95 -2.24 -0.01 0.00 0.00 175.52 172.46 1bnp h ASP 17 N 0.00 0.19 1.04 0.00 2.03 -1.99 -2.26 116.42 115.44 1bnp h ASP 17 Ca -0.00 -0.17 -0.03 0.00 -0.73 0.00 0.00 57.03 56.10 1bnp h ASP 17 Cb 0.51 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1bnp h ASP 17 CO 0.02 1.03 -0.97 0.24 -1.03 0.00 0.00 179.24 178.53 1bnp h MET 18 N 0.06 0.00 0.05 4.15 2.86 -1.64 -2.65 114.93 117.76 1bnp h MET 18 Ca -0.05 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 1bnp h MET 18 Cb 1.63 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.30 1bnp h MET 18 CO 0.14 0.05 -0.67 -0.07 1.06 0.00 0.00 176.91 177.43 1bnp h LEU 19 N 0.00 0.50 -1.45 1.22 3.38 -1.27 -3.05 115.31 114.64 1bnp h LEU 19 Ca -0.02 -0.83 -0.06 0.00 0.09 0.00 0.00 57.88 57.06 1bnp h LEU 19 Cb 1.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1bnp h LEU 19 CO 0.01 1.27 -0.26 0.58 0.09 0.00 0.00 178.44 180.13 1bnp h VAL 20 N -0.22 0.91 -0.69 1.22 2.07 -1.52 -2.60 116.25 115.42 1bnp h VAL 20 Ca -0.10 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1bnp h VAL 20 Cb 1.42 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1bnp h VAL 20 CO 0.13 0.26 0.32 -0.33 0.02 0.00 0.00 177.57 177.96 1bnp h GLU 21 N 0.00 1.01 -0.45 1.57 5.08 -1.37 -0.60 114.58 119.81 1bnp h GLU 21 Ca -0.00 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1bnp h GLU 21 Cb 0.57 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1bnp h GLU 21 CO 0.03 0.81 0.13 1.25 -1.00 0.00 0.00 179.01 180.23 1bnp h LEU 22 N 0.97 0.61 -1.14 1.33 6.46 -1.36 -0.16 115.31 122.01 1bnp h LEU 22 Ca 0.24 -0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1bnp h LEU 22 Cb 0.14 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1bnp h LEU 22 CO -0.03 0.60 -0.27 0.00 -0.62 0.00 0.00 178.44 178.12 1bnp h ALA 23 N 1.49 1.05 -0.00 1.25 0.00 -1.26 -2.21 119.26 119.58 1bnp h ALA 23 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 23 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bnp h ALA 23 CO -0.01 0.34 -0.06 -1.71 0.00 0.00 0.00 179.25 177.82 1bnp n ASN 24 N -3.50 0.13 -0.24 0.00 5.15 -0.13 -4.24 115.26 112.43 1bnp n ASN 24 Ca -0.00 -0.03 0.23 0.00 -0.60 0.00 0.00 54.58 54.18 1bnp n ASN 24 Cb 0.44 -0.27 0.43 0.00 -0.53 0.00 0.00 39.78 39.84 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 -1.30 0.85 0.00 1.20 3.72 -0.83 -4.77 117.46 116.32 1bnp n PHE 25 Ca 0.11 0.87 0.00 0.00 -0.05 0.00 0.00 57.45 58.38 1bnp n PHE 25 Cb 0.29 -1.29 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1bnp n GLU 26 N -4.66 0.00 0.00 -1.08 4.07 -1.26 -4.51 120.64 113.20 1bnp n GLU 26 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1bnp n GLU 26 Cb 0.94 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.32 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bnp n LYS 27 N 0.00 0.00 -1.53 5.31 5.02 -1.26 -4.08 118.16 121.62 1bnp n LYS 27 Ca 0.00 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 1bnp n LYS 27 Cb 0.00 -0.91 0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1bnp s ASN 28 N -1.79 4.78 -1.47 4.39 0.02 -1.26 -3.46 114.94 116.15 1bnp s ASN 28 Ca 0.00 1.45 -0.05 0.00 -1.02 0.00 0.00 52.86 53.24 1bnp s ASN 28 Cb 0.00 -2.23 0.02 0.00 0.02 0.00 0.00 41.25 39.06 1bnp s ASN 28 CO 0.00 -1.80 0.43 0.52 0.02 0.00 0.00 177.10 176.27 1bnp n VAL 29 N -3.34 -1.47 0.00 1.60 0.31 -1.26 -4.58 118.33 109.59 1bnp n VAL 29 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1bnp n VAL 29 Cb 0.55 -2.82 0.00 0.00 -0.91 0.00 0.00 33.84 30.66 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 -2.32 0.00 -3.68 4.52 2.88 -1.23 -4.58 113.62 109.22 1bnp n SER 30 Ca -0.11 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1bnp n SER 30 Cb 0.61 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 1bnp n SER 30 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1bnp s GLN 31 N -0.18 0.53 -0.64 -1.46 2.00 -1.26 -4.88 119.66 113.77 1bnp s GLN 31 Ca 0.00 0.93 -0.03 0.00 -2.00 0.00 0.00 55.36 54.26 1bnp s GLN 31 Cb 0.00 0.07 0.00 0.00 0.80 0.00 0.00 33.01 33.88 1bnp s GLN 31 CO 0.00 -0.15 0.43 0.00 -0.50 0.00 0.00 175.29 175.08 1bnp n ALA 32 N 4.12 -0.52 -2.23 1.58 0.00 -1.26 -5.02 120.51 117.18 1bnp n ALA 32 Ca -0.21 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1bnp n ALA 32 Cb 0.57 -2.47 0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.02 3.87 0.10 0.00 -1.09 -1.26 -4.99 121.20 114.81 1bnp s ILE 33 Ca 0.21 -0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.18 1bnp s ILE 33 Cb -0.09 -3.47 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1bnp s ILE 33 CO 0.26 -0.39 1.47 1.12 -1.23 0.00 0.00 174.94 176.18 1bnp h HIS 34 N 0.18 0.78 0.00 3.97 2.07 -2.01 -3.10 115.15 117.04 1bnp h HIS 34 Ca -0.46 -0.19 0.00 0.00 -2.85 0.00 0.00 60.37 56.87 1bnp h HIS 34 Cb 1.25 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1bnp h HIS 34 CO 0.46 0.89 -0.63 1.63 -3.07 0.00 0.00 177.93 177.21 1bnp n LYS 35 N -4.36 0.07 -0.09 5.12 5.02 -1.26 -4.15 118.16 118.51 1bnp n LYS 35 Ca -0.03 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1bnp n LYS 35 Cb 0.39 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1bnp h TYR 36 N 0.00 0.42 -0.00 2.13 5.03 -1.90 -1.44 116.97 121.21 1bnp h TYR 36 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 1bnp h TYR 36 Cb 0.56 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 1bnp h TYR 36 CO 0.00 0.40 0.00 -0.91 -1.32 0.00 0.00 178.16 176.34 1bnp h ASN 37 N 0.32 0.00 -0.48 -2.11 4.21 -1.72 -2.00 115.58 113.81 1bnp h ASN 37 Ca 0.10 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 1bnp h ASN 37 Cb 0.15 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1bnp h ASN 37 CO -0.01 0.00 0.12 0.00 -1.29 0.00 0.00 177.43 176.25 1bnp h ALA 38 N 1.99 0.63 0.00 -0.83 0.00 -1.47 -2.54 119.26 117.04 1bnp h ALA 38 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bnp h ALA 38 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bnp h ALA 38 CO -0.00 0.31 -0.44 0.66 0.00 0.00 0.00 179.25 179.78 1bnp n TYR 39 N -4.49 0.65 -0.03 0.00 4.01 -0.79 -2.82 117.16 113.69 1bnp n TYR 39 Ca 0.01 0.19 -0.14 0.00 -0.16 0.00 0.00 57.90 57.79 1bnp n TYR 39 Cb 0.22 -0.73 -0.11 0.00 -0.31 0.00 0.00 39.34 38.40 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 0.10 -0.06 -0.72 9.65 -1.24 -2.08 114.38 120.04 1bnp h ARG 40 Ca 0.00 -0.10 -0.18 0.00 -1.10 0.00 0.00 59.98 58.60 1bnp h ARG 40 Cb 0.74 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1bnp h ARG 40 CO 0.00 0.86 -0.65 -0.22 2.80 0.00 0.00 179.97 182.75 1bnp h LYS 41 N -0.62 0.55 -0.24 0.20 3.64 -1.59 -2.36 116.57 116.15 1bnp h LYS 41 Ca -0.02 -0.51 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1bnp h LYS 41 Cb 0.90 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1bnp h LYS 41 CO 0.03 1.14 0.15 0.00 -2.27 0.00 0.00 179.45 178.49 1bnp h ALA 42 N 0.42 0.31 0.00 5.00 0.00 -1.49 -1.48 119.26 122.01 1bnp h ALA 42 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bnp h ALA 42 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bnp h ALA 42 CO 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1bnp h ALA 43 N 1.05 1.00 0.04 0.00 0.00 -1.43 -0.46 119.26 119.46 1bnp h ALA 43 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1bnp h ALA 43 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bnp h ALA 43 CO -0.02 0.00 -1.07 0.77 0.00 0.00 0.00 179.25 178.94 1bnp h SER 44 N 0.00 0.66 0.59 0.00 0.02 -0.72 -2.29 113.55 111.81 1bnp h SER 44 Ca 0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1bnp h SER 44 Cb 0.40 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1bnp h SER 44 CO 0.00 1.38 -0.64 0.55 -1.14 0.00 0.00 176.83 176.98 1bnp n VAL 45 N -3.75 0.14 -0.10 2.27 3.14 -0.94 -3.88 118.33 115.22 1bnp n VAL 45 Ca -0.09 -0.13 -0.18 0.00 -2.96 0.00 0.00 64.34 60.98 1bnp n VAL 45 Cb 0.90 0.14 -0.09 0.00 -1.06 0.00 0.00 33.84 33.73 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 -1.77 1.51 -0.33 1.55 5.41 -0.21 -3.08 119.36 122.44 1bnp n ILE 46 Ca 0.04 0.02 0.07 0.00 1.00 0.00 0.00 62.75 63.88 1bnp n ILE 46 Cb 0.38 -2.12 0.26 0.00 -0.71 0.00 0.00 39.64 37.46 1bnp n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h ALA 47 N -0.61 1.57 -0.24 -1.39 0.00 -1.60 0.31 119.26 117.30 1bnp h ALA 47 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 47 Cb 1.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bnp h ALA 47 CO -0.17 0.22 -0.35 0.87 0.00 0.00 0.00 179.25 179.82 1bnp h LYS 48 N 0.96 0.51 -6.99 0.00 1.57 -1.74 -3.44 116.57 107.45 1bnp h LYS 48 Ca 0.45 -0.23 -0.55 0.00 -1.87 0.00 0.00 60.65 58.45 1bnp h LYS 48 Cb 0.43 -0.01 0.18 0.00 0.08 0.00 0.00 32.23 32.91 1bnp h LYS 48 CO -0.21 0.79 0.14 0.98 -0.57 0.00 0.00 179.45 180.58 1bnp n TYR 49 N -4.06 0.77 0.28 -1.35 9.36 0.11 -4.83 117.16 117.45 1bnp n TYR 49 Ca -0.01 0.39 0.03 0.00 3.32 0.00 0.00 57.90 61.63 1bnp n TYR 49 Cb 0.47 -2.09 0.15 0.00 -0.63 0.00 0.00 39.34 37.25 1bnp n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1bnp n PRO 50 N -2.02 0.08 0.00 2.98 -0.02 -1.26 -4.95 135.00 129.81 1bnp n PRO 50 Ca 0.13 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1bnp n PRO 50 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bnp n HIS 51 N -1.31 0.00 -1.35 6.00 8.25 -1.26 -5.05 115.22 120.49 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 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1bnp n HIS 51 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bnp n LYS 52 N -1.75 -3.60 -3.69 -0.41 5.02 -1.26 -4.95 118.16 107.52 1bnp n LYS 52 Ca 0.00 2.77 -0.14 0.00 -2.02 0.00 0.00 58.31 58.93 1bnp n LYS 52 Cb 0.00 -3.42 -0.09 0.00 -0.02 0.00 0.00 35.03 31.50 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1bnp s ILE 53 N -4.96 0.01 -0.17 -0.18 -4.36 -1.26 -5.03 121.20 105.25 1bnp s ILE 53 Ca 0.00 -0.05 -0.14 0.00 -0.26 0.00 0.00 60.65 60.20 1bnp s ILE 53 Cb 0.00 -0.72 -0.10 0.00 1.25 0.00 0.00 42.46 42.90 1bnp s ILE 53 CO 0.00 -0.03 -0.02 1.17 0.24 0.00 0.00 174.94 176.31 1bnp n LYS 54 N 2.51 0.50 -4.25 0.37 0.00 -1.26 -4.98 118.16 111.05 1bnp n LYS 54 Ca -0.15 0.55 -0.23 0.00 0.00 0.00 0.00 58.31 58.48 1bnp n LYS 54 Cb 0.56 -1.72 -0.07 0.00 0.00 0.00 0.00 35.03 33.81 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1bnp s SER 55 N -6.21 4.52 0.49 3.14 0.15 -1.26 -5.01 113.70 109.53 1bnp s SER 55 Ca -0.21 -0.73 0.26 0.00 0.70 0.00 0.00 55.95 55.97 1bnp s SER 55 Cb 0.04 -0.77 1.28 0.00 -1.71 0.00 0.00 66.02 64.86 1bnp s SER 55 CO 0.37 -0.11 2.00 1.23 1.20 0.00 0.00 173.24 177.93 1bnp h GLY 56 N 1.79 0.00 1.77 9.45 0.00 -1.99 -2.48 103.07 111.61 1bnp h GLY 56 Ca -0.44 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1bnp h GLY 56 CO 0.62 0.00 0.11 0.00 0.00 0.00 0.00 176.54 177.27 1bnp h ALA 57 N 1.84 1.20 -0.59 3.60 0.00 -2.01 -2.18 119.26 121.12 1bnp h ALA 57 Ca -0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1bnp h ALA 57 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1bnp h ALA 57 CO 0.02 -0.12 0.32 0.93 0.00 0.00 0.00 179.25 180.40 1bnp h GLU 58 N 0.00 0.59 -0.11 0.00 4.39 -1.86 -0.94 114.58 116.65 1bnp h GLU 58 Ca 0.01 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1bnp h GLU 58 Cb 0.23 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1bnp h GLU 58 CO -0.00 0.39 -0.12 0.00 -1.16 0.00 0.00 179.01 178.13 1bnp h ALA 59 N 1.30 1.60 -0.13 3.43 0.00 -1.62 -1.58 119.26 122.25 1bnp h ALA 59 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1bnp h ALA 59 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bnp h ALA 59 CO -0.16 0.30 -0.04 0.87 0.00 0.00 0.00 179.25 180.22 1bnp h LYS 60 N 0.17 0.19 0.19 0.00 1.57 -1.26 -2.53 116.57 114.89 1bnp h LYS 60 Ca 0.04 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 1bnp h LYS 60 Cb 0.32 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.63 1bnp h LYS 60 CO 0.02 0.24 -1.29 -0.22 -0.57 0.00 0.00 179.45 177.63 1bnp h LYS 61 N 0.18 0.53 -5.93 3.15 1.63 -1.05 -3.44 116.57 111.64 1bnp h LYS 61 Ca 0.04 -0.83 -0.62 0.00 -0.85 0.00 0.00 60.65 58.39 1bnp h LYS 61 Cb 0.19 0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1bnp h LYS 61 CO 0.01 1.39 1.47 1.28 -3.45 0.00 0.00 179.45 180.15 1bnp n LEU 62 N -3.82 2.54 -4.56 5.20 4.77 -0.91 -4.82 117.00 115.40 1bnp n LEU 62 Ca -0.15 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 1bnp n LEU 62 Cb 1.02 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1bnp n LEU 62 CO 0.58 -0.78 1.29 -2.16 -1.33 0.00 0.00 177.39 174.99 1bnp s PRO 63 N 6.50 2.13 0.00 3.23 0.04 -1.26 -2.53 135.00 143.11 1bnp s PRO 63 Ca 1.06 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1bnp s PRO 63 Cb -0.61 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1bnp s PRO 63 CO 0.42 -3.89 0.00 0.41 0.04 0.00 0.00 177.00 173.98 1bnp n GLY 64 N 6.78 3.41 3.55 0.56 0.00 -1.26 -4.70 105.19 113.54 1bnp n GLY 64 Ca 0.43 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 3.74 0.43 1.61 1.01 -1.05 -3.23 120.40 122.92 1bnp s VAL 65 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1bnp s VAL 65 Cb 0.00 -4.88 0.11 0.00 0.00 0.00 0.00 36.38 31.61 1bnp s VAL 65 CO 0.00 -1.78 0.45 0.61 0.00 0.00 0.00 175.10 174.38 1bnp n GLY 66 N 5.35 -2.11 0.08 4.51 0.00 -1.26 -4.53 105.19 107.22 1bnp n GLY 66 Ca 0.04 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bnp h THR 67 N -1.73 1.60 -0.91 2.61 1.35 -1.94 -1.95 112.91 111.93 1bnp h THR 67 Ca -0.16 -3.13 -0.01 0.00 -0.55 0.00 0.00 66.41 62.56 1bnp h THR 67 Cb 0.47 2.71 -0.04 0.00 -1.73 0.00 0.00 68.15 69.56 1bnp h THR 67 CO 0.11 0.88 0.54 0.11 -0.25 0.00 0.00 175.52 176.91 1bnp h LYS 68 N 0.00 1.23 0.00 4.72 1.57 -2.00 -2.30 116.57 119.79 1bnp h LYS 68 Ca -0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1bnp h LYS 68 Cb 1.64 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1bnp h LYS 68 CO 0.12 0.87 -0.86 -0.89 -0.57 0.00 0.00 179.45 178.11 1bnp n ILE 69 N -4.36 0.35 -0.04 1.86 5.41 -1.23 -4.07 119.36 117.30 1bnp n ILE 69 Ca 0.10 -0.33 0.05 0.00 1.00 0.00 0.00 62.75 63.57 1bnp n ILE 69 Cb 0.06 -0.07 0.42 0.00 -0.71 0.00 0.00 39.64 39.34 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 2.39 1.73 -0.29 -1.39 0.00 -0.75 -1.00 119.26 119.95 1bnp h ALA 70 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bnp h ALA 70 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1bnp h ALA 70 CO 0.00 0.23 0.06 1.05 0.00 0.00 0.00 179.25 180.59 1bnp h GLU 71 N 0.58 0.41 0.00 0.00 4.11 -1.70 -0.91 114.58 117.08 1bnp h GLU 71 Ca 0.19 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 1bnp h GLU 71 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1bnp h GLU 71 CO -0.05 0.39 -0.43 0.87 0.07 0.00 0.00 179.01 179.87 1bnp h LYS 72 N 0.41 0.00 0.52 1.06 1.57 -1.43 -1.50 116.57 117.20 1bnp h LYS 72 Ca 0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1bnp h LYS 72 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1bnp h LYS 72 CO -0.00 0.43 -0.25 0.82 -0.57 0.00 0.00 179.45 179.88 1bnp h ILE 73 N 0.00 0.18 0.00 1.86 1.08 -0.87 -2.83 117.51 116.94 1bnp h ILE 73 Ca -0.00 -0.49 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1bnp h ILE 73 Cb 1.00 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1bnp h ILE 73 CO 0.06 0.03 -0.08 -0.78 -0.69 0.00 0.00 178.15 176.69 1bnp h ASP 74 N -1.11 0.00 -0.65 1.72 3.58 -1.51 -1.56 116.42 116.89 1bnp h ASP 74 Ca -0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1bnp h ASP 74 Cb 0.59 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 1bnp h ASP 74 CO 0.12 0.08 0.37 -0.33 -2.88 0.00 0.00 179.24 176.59 1bnp h GLU 75 N 0.00 0.91 0.19 0.28 5.08 -1.12 0.89 114.58 120.81 1bnp h GLU 75 Ca -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1bnp h GLU 75 Cb 0.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1bnp h GLU 75 CO 0.01 0.66 -0.09 0.74 -1.00 0.00 0.00 179.01 179.33 1bnp h PHE 76 N 0.92 -0.23 -0.46 4.33 0.04 -1.04 -2.91 116.94 117.59 1bnp h PHE 76 Ca 0.24 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 1bnp h PHE 76 Cb 0.01 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1bnp h PHE 76 CO 0.01 0.02 0.13 1.28 -0.60 0.00 0.00 178.31 179.15 1bnp n LEU 77 N -5.10 4.53 0.03 1.54 4.77 -0.99 -4.10 117.00 117.68 1bnp n LEU 77 Ca -0.09 -2.33 -0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1bnp n LEU 77 Cb 0.20 -0.65 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 1bnp n LEU 77 CO 0.33 0.61 -0.33 0.00 -1.33 0.00 0.00 177.39 176.67 1bnp n ALA 78 N 0.11 1.93 -2.56 -1.18 0.00 0.31 -4.28 120.51 114.83 1bnp n ALA 78 Ca 0.25 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1bnp n ALA 78 Cb 1.00 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 1bnp n ALA 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnp s THR 79 N -2.92 4.03 0.00 0.00 2.01 -1.26 -3.26 115.64 114.24 1bnp s THR 79 Ca -0.03 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.54 1bnp s THR 79 Cb 0.09 -5.13 0.00 0.00 0.01 0.00 0.00 72.50 67.47 1bnp s THR 79 CO 0.81 -1.97 0.00 0.61 -0.69 0.00 0.00 174.62 173.38 1bnp n GLY 80 N 6.02 1.74 2.71 4.40 0.00 -1.26 -4.91 105.19 113.89 1bnp n GLY 80 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.10 1.21 1.32 1.61 2.20 -1.20 -5.04 119.74 119.75 1bnp s LYS 81 Ca 0.00 -1.90 -0.20 0.00 -0.36 0.00 0.00 55.97 53.51 1bnp s LYS 81 Cb 0.00 -2.28 0.33 0.00 -1.51 0.00 0.00 37.83 34.37 1bnp s LYS 81 CO 0.00 -1.14 0.99 -0.51 -0.36 0.00 0.00 175.35 174.32 1bnp s LEU 82 N 0.50 -0.31 0.00 5.43 1.43 -1.26 -5.00 118.68 119.47 1bnp s LEU 82 Ca 0.17 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.28 1bnp s LEU 82 Cb -0.24 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.50 1bnp s LEU 82 CO -0.02 -4.84 0.54 -2.11 0.23 0.00 0.00 176.35 170.15 1bnp n ARG 83 N -5.29 0.72 -0.09 1.70 0.00 -1.26 -5.08 116.66 107.36 1bnp n ARG 83 Ca 0.10 -2.76 -0.18 0.00 -0.00 0.00 0.00 57.85 55.01 1bnp n ARG 83 Cb 0.59 0.01 -0.06 0.00 -0.00 0.00 0.00 32.46 33.00 1bnp n ARG 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1bnp n LYS 84 N -1.87 0.46 -2.92 2.89 4.81 -1.26 -4.92 118.16 115.34 1bnp n LYS 84 Ca 0.07 0.19 -0.13 0.00 -0.87 0.00 0.00 58.31 57.58 1bnp n LYS 84 Cb 0.52 -1.28 -0.00 0.00 0.02 0.00 0.00 35.03 34.28 1bnp n LYS 84 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1bnp n LEU 85 N -4.11 -2.09 -3.99 3.14 -0.00 -1.26 -5.12 117.00 103.57 1bnp n LEU 85 Ca -0.32 -3.64 -0.25 0.00 -0.00 0.00 0.00 56.01 51.80 1bnp n LEU 85 Cb 0.66 0.74 -0.17 0.00 -0.00 0.00 0.00 43.42 44.66 1bnp n LEU 85 CO 0.08 1.98 -0.46 -1.61 -0.00 0.00 0.00 177.39 177.38 1bnp s GLU 86 N 0.25 1.66 0.00 1.47 2.02 -1.26 -5.36 118.70 117.49 1bnp s GLU 86 Ca 0.32 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1bnp s GLU 86 Cb 0.14 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1bnp s GLU 86 CO -0.17 -0.05 0.00 1.17 0.02 0.00 0.00 175.26 176.23