#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 4.56 -0.75 3.17 1.04 -1.26 -5.05 113.70 115.42 1bnp s SER 2 Ca 0.00 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1bnp s SER 2 Cb 0.00 -0.73 0.36 0.00 0.10 0.00 0.00 66.02 65.74 1bnp s SER 2 CO 0.00 -0.20 1.53 1.17 0.98 0.00 0.00 173.24 176.72 1bnp n LYS 3 N -1.04 3.74 -1.34 4.02 4.81 -1.26 -5.03 118.16 122.05 1bnp n LYS 3 Ca -0.04 -4.35 0.09 0.00 -0.87 0.00 0.00 58.31 53.14 1bnp n LYS 3 Cb 0.61 -2.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.29 1bnp n LYS 3 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bnp n ARG 4 N -0.34 -3.29 -4.01 1.64 0.63 -1.26 -4.85 116.66 105.18 1bnp n ARG 4 Ca 0.44 2.63 -0.35 0.00 -0.92 0.00 0.00 57.85 59.65 1bnp n ARG 4 Cb 0.37 -3.54 -0.10 0.00 0.45 0.00 0.00 32.46 29.64 1bnp n ARG 4 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1bnp s LYS 5 N -4.64 3.94 0.72 -0.14 1.02 -1.26 -5.09 119.74 114.29 1bnp s LYS 5 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.50 1bnp s LYS 5 Cb 0.00 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1bnp s LYS 5 CO 0.00 0.23 1.11 0.00 -0.92 0.00 0.00 175.35 175.78 1bnp s ALA 6 N 0.47 2.30 1.00 5.17 0.00 -1.26 -5.03 121.76 124.42 1bnp s ALA 6 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1bnp s ALA 6 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1bnp s ALA 6 CO 0.01 -1.59 0.00 -2.30 0.00 0.00 0.00 175.76 171.88 1bnp n PRO 7 N -2.94 1.03 0.00 0.00 -0.02 -1.26 -5.00 135.00 126.80 1bnp n PRO 7 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1bnp n PRO 7 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1bnp n PRO 7 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bnp n GLN 8 N 0.00 -0.15 -2.86 -0.52 3.00 -1.26 -5.05 117.38 110.54 1bnp n GLN 8 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1bnp n GLN 8 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1bnp s GLU 9 N -1.75 2.68 0.28 -1.09 0.41 -1.26 -5.12 118.70 112.85 1bnp s GLU 9 Ca 0.00 -1.08 -0.20 0.00 -0.41 0.00 0.00 54.97 53.29 1bnp s GLU 9 Cb 0.00 -2.64 0.02 0.00 -1.78 0.00 0.00 34.13 29.73 1bnp s GLU 9 CO 0.00 -0.48 0.70 -0.08 -0.49 0.00 0.00 175.26 174.90 1bnp s THR 10 N -2.53 0.00 0.00 3.63 -1.32 -1.26 -5.10 115.64 109.06 1bnp s THR 10 Ca 0.56 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1bnp s THR 10 Cb -0.10 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.81 1bnp s THR 10 CO 0.35 0.00 0.71 0.18 -2.21 0.00 0.00 174.62 173.65 1bnp n LEU 11 N -0.46 0.13 0.00 9.08 4.32 -1.26 -5.00 117.00 123.82 1bnp n LEU 11 Ca -0.04 0.74 0.00 0.00 -0.02 0.00 0.00 56.01 56.69 1bnp n LEU 11 Cb 0.59 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1bnp n LEU 11 CO 0.17 -0.29 0.00 0.59 -1.22 0.00 0.00 177.39 176.64 1bnp n ASN 12 N -1.37 0.00 0.00 -1.43 5.03 -1.26 -5.14 115.26 111.10 1bnp n ASN 12 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1bnp n ASN 12 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bnp n GLY 13 N 0.00 0.89 0.08 7.41 0.00 -1.26 -4.89 105.19 107.42 1bnp n GLY 13 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.83 0.05 -0.02 0.00 -1.26 -4.47 105.19 101.32 1bnp n GLY 14 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.22 1.02 0.30 -0.61 5.41 -1.26 -4.02 119.36 118.97 1bnp n ILE 15 Ca 0.00 0.30 0.18 0.00 1.00 0.00 0.00 62.75 64.23 1bnp n ILE 15 Cb 0.02 -2.14 0.95 0.00 -0.71 0.00 0.00 39.64 37.76 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 -0.72 0.00 -0.11 1.39 1.03 -1.90 -0.70 112.91 111.91 1bnp h THR 16 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.18 1bnp h THR 16 Cb 0.37 0.77 0.01 0.00 -1.07 0.00 0.00 68.15 68.23 1bnp h THR 16 CO 0.00 0.00 -0.82 -0.78 -0.01 0.00 0.00 175.52 173.91 1bnp h ASP 17 N 0.00 0.85 1.42 0.00 1.82 -1.97 -2.24 116.42 116.29 1bnp h ASP 17 Ca 0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1bnp h ASP 17 Cb 0.21 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1bnp h ASP 17 CO 0.00 1.37 -0.23 0.24 -1.61 0.00 0.00 179.24 179.01 1bnp h MET 18 N 0.47 0.00 0.22 0.28 2.86 -1.29 -2.89 114.93 114.57 1bnp h MET 18 Ca -0.06 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.26 1bnp h MET 18 Cb 1.45 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.13 1bnp h MET 18 CO 0.16 0.00 -1.44 -0.07 1.06 0.00 0.00 176.91 176.63 1bnp h LEU 19 N 0.00 0.71 -1.27 1.22 4.07 -1.32 -2.84 115.31 115.88 1bnp h LEU 19 Ca 0.00 -0.93 -0.06 0.00 0.08 0.00 0.00 57.88 56.97 1bnp h LEU 19 Cb 0.82 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1bnp h LEU 19 CO 0.00 1.68 -0.18 0.58 -1.08 0.00 0.00 178.44 179.44 1bnp h VAL 20 N 0.03 1.21 -0.19 1.22 2.07 -1.46 -1.15 116.25 117.97 1bnp h VAL 20 Ca -0.26 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1bnp h VAL 20 Cb 2.05 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1bnp h VAL 20 CO 0.22 0.30 -0.24 -0.08 0.02 0.00 0.00 177.57 177.78 1bnp h GLU 21 N 0.26 0.35 -0.89 1.57 4.22 -1.51 -1.01 114.58 117.56 1bnp h GLU 21 Ca 0.05 -0.12 0.07 0.00 0.08 0.00 0.00 59.36 59.44 1bnp h GLU 21 Cb 0.47 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1bnp h GLU 21 CO 0.03 0.58 0.55 1.25 -2.18 0.00 0.00 179.01 179.24 1bnp h LEU 22 N 0.31 0.86 -0.41 1.64 7.12 -0.95 0.13 115.31 124.00 1bnp h LEU 22 Ca 0.05 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.99 1bnp h LEU 22 Cb 0.60 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1bnp h LEU 22 CO 0.04 0.53 -0.42 0.00 -0.13 0.00 0.00 178.44 178.47 1bnp h ALA 23 N 1.43 0.81 0.00 1.25 0.00 -1.29 -2.93 119.26 118.53 1bnp h ALA 23 Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bnp h ALA 23 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 23 CO -0.19 0.52 0.00 -1.71 0.00 0.00 0.00 179.25 177.87 1bnp n ASN 24 N -3.32 0.00 -0.26 0.00 2.85 0.38 -4.00 115.26 110.92 1bnp n ASN 24 Ca 0.01 0.24 0.24 0.00 -0.11 0.00 0.00 54.58 54.97 1bnp n ASN 24 Cb 0.63 -0.38 0.42 0.00 1.24 0.00 0.00 39.78 41.69 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1bnp n PHE 25 N -1.38 0.65 -1.89 1.20 3.01 -0.86 -4.71 117.46 113.46 1bnp n PHE 25 Ca 0.07 0.65 -0.19 0.00 1.01 0.00 0.00 57.45 58.99 1bnp n PHE 25 Cb 0.17 -1.07 -0.05 0.00 -0.01 0.00 0.00 39.48 38.52 1bnp n PHE 25 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bnp n GLU 26 N -4.30 -1.58 0.00 -1.08 2.13 -1.26 -4.60 120.64 109.96 1bnp n GLU 26 Ca 0.26 1.03 0.00 0.00 0.66 0.00 0.00 57.16 59.11 1bnp n GLU 26 Cb 0.95 -5.49 0.00 0.00 0.27 0.00 0.00 31.44 27.16 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 -2.53 0.00 0.08 5.31 4.76 -1.26 -4.83 118.16 119.69 1bnp n LYS 27 Ca -0.20 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.14 1bnp n LYS 27 Cb 0.64 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.82 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1bnp h ASN 28 N 0.00 0.32 -1.18 4.39 -0.00 -1.96 -3.21 115.58 113.94 1bnp h ASN 28 Ca 0.00 -0.26 -0.67 0.00 -0.00 0.00 0.00 56.30 55.37 1bnp h ASN 28 Cb 0.00 -0.10 -0.32 0.00 -0.00 0.00 0.00 38.32 37.90 1bnp h ASN 28 CO 0.00 1.05 0.53 0.52 -0.00 0.00 0.00 177.43 179.53 1bnp n VAL 29 N -3.70 3.37 0.00 2.57 0.31 -1.26 -4.76 118.33 114.86 1bnp n VAL 29 Ca -0.04 -3.54 0.00 0.00 -0.01 0.00 0.00 64.34 60.75 1bnp n VAL 29 Cb 0.80 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.78 0.00 -4.03 4.52 2.88 -1.21 -4.49 113.62 110.51 1bnp n SER 30 Ca 0.57 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 58.01 1bnp n SER 30 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1bnp n SER 30 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1bnp s GLN 31 N 0.00 0.43 -0.83 -1.46 -1.52 -1.26 -4.82 119.66 110.21 1bnp s GLN 31 Ca 0.00 -0.77 -0.03 0.00 -1.95 0.00 0.00 55.36 52.61 1bnp s GLN 31 Cb 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 33.01 32.80 1bnp s GLN 31 CO 0.00 -0.03 0.40 0.00 -0.25 0.00 0.00 175.29 175.41 1bnp n ALA 32 N 1.28 -0.57 -2.42 6.09 0.00 -1.26 -5.00 120.51 118.64 1bnp n ALA 32 Ca -0.22 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1bnp n ALA 32 Cb 0.56 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 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 -2.94 4.92 -0.04 0.00 1.09 -1.26 -4.99 121.20 117.98 1bnp s ILE 33 Ca 0.20 0.67 0.01 0.00 -1.10 0.00 0.00 60.65 60.43 1bnp s ILE 33 Cb -0.09 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1bnp s ILE 33 CO 0.24 0.19 -0.03 0.00 -0.10 0.00 0.00 174.94 175.25 1bnp n HIS 34 N 0.63 0.00 -0.77 3.97 1.44 -1.26 -4.63 115.22 114.61 1bnp n HIS 34 Ca -0.05 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.61 1bnp n HIS 34 Cb 0.52 -0.16 0.27 0.00 0.12 0.00 0.00 29.99 30.74 1bnp n HIS 34 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1bnp n LYS 35 N -2.51 3.40 0.05 -1.40 5.02 -1.26 -4.17 118.16 117.29 1bnp n LYS 35 Ca -0.07 -2.68 0.03 0.00 -2.02 0.00 0.00 58.31 53.58 1bnp n LYS 35 Cb 0.58 -2.11 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1bnp n LYS 35 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1bnp n TYR 36 N -0.09 0.96 0.25 2.13 9.36 -1.26 -3.76 117.16 124.74 1bnp n TYR 36 Ca 0.36 0.31 0.13 0.00 3.32 0.00 0.00 57.90 62.02 1bnp n TYR 36 Cb 1.27 -1.04 0.63 0.00 -0.63 0.00 0.00 39.34 39.56 1bnp n TYR 36 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1bnp h ASN 37 N 0.00 0.00 -0.19 2.98 4.21 -1.91 -2.21 115.58 118.46 1bnp h ASN 37 Ca -0.12 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.34 1bnp h ASN 37 Cb 1.42 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.60 1bnp h ASN 37 CO 0.03 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.13 1bnp h ALA 38 N 2.07 1.34 0.11 -0.83 0.00 -1.88 -2.29 119.26 117.79 1bnp h ALA 38 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 54.91 54.33 1bnp h ALA 38 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bnp h ALA 38 CO 0.00 0.45 -1.99 0.66 0.00 0.00 0.00 179.25 178.37 1bnp n TYR 39 N -4.26 1.20 -0.01 0.00 4.01 -0.84 -2.64 117.16 114.63 1bnp n TYR 39 Ca 0.01 0.27 -0.12 0.00 -0.16 0.00 0.00 57.90 57.90 1bnp n TYR 39 Cb 0.27 -1.16 -0.07 0.00 -0.31 0.00 0.00 39.34 38.07 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 0.06 0.11 -0.03 -0.72 9.65 -1.55 0.62 114.38 122.53 1bnp h ARG 40 Ca -0.42 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.41 1bnp h ARG 40 Cb 2.03 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.60 1bnp h ARG 40 CO 0.08 0.28 -0.09 0.87 2.80 0.00 0.00 179.97 183.92 1bnp h LYS 41 N -0.08 0.12 0.00 0.20 1.57 -1.60 -2.79 116.57 114.00 1bnp h LYS 41 Ca 0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bnp h LYS 41 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bnp h LYS 41 CO -0.00 0.69 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 1bnp h ALA 42 N 0.43 1.00 0.00 3.86 0.00 -1.53 -1.92 119.26 121.10 1bnp h ALA 42 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1bnp h ALA 42 Cb 0.70 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1bnp h ALA 42 CO 0.02 0.00 -1.47 0.00 0.00 0.00 0.00 179.25 177.80 1bnp h ALA 43 N 2.07 0.67 0.00 0.00 0.00 -0.72 -2.92 119.26 118.37 1bnp h ALA 43 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 54.91 53.59 1bnp h ALA 43 Cb 0.14 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bnp h ALA 43 CO 0.00 1.35 -0.57 0.77 0.00 0.00 0.00 179.25 180.79 1bnp h SER 44 N 0.00 0.00 0.12 0.00 0.02 -1.08 -2.35 113.55 110.27 1bnp h SER 44 Ca -0.20 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.39 1bnp h SER 44 Cb 1.85 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 1bnp h SER 44 CO 0.08 0.57 -1.97 0.55 -1.14 0.00 0.00 176.83 174.92 1bnp n VAL 45 N -3.44 1.78 -0.06 2.27 3.14 -1.13 -3.93 118.33 116.96 1bnp n VAL 45 Ca 0.00 -0.64 -0.14 0.00 -2.96 0.00 0.00 64.34 60.60 1bnp n VAL 45 Cb 0.68 -1.75 -0.06 0.00 -1.06 0.00 0.00 33.84 31.65 1bnp n VAL 45 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1bnp h ILE 46 N 0.04 1.33 -0.63 1.55 2.10 -1.61 -1.84 117.51 118.46 1bnp h ILE 46 Ca -0.42 -1.57 0.09 0.00 1.08 0.00 0.00 64.86 64.04 1bnp h ILE 46 Cb 2.01 1.87 -0.07 0.00 -1.09 0.00 0.00 36.82 39.54 1bnp h ILE 46 CO 0.08 0.48 0.25 0.00 -1.08 0.00 0.00 178.15 177.89 1bnp h ALA 47 N 0.60 0.82 -0.11 0.18 0.00 -1.61 0.25 119.26 119.39 1bnp h ALA 47 Ca 0.01 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1bnp h ALA 47 Cb 0.94 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bnp h ALA 47 CO 0.08 -0.16 -0.44 -0.22 0.00 0.00 0.00 179.25 178.51 1bnp h LYS 48 N 0.45 0.25 -7.01 0.00 3.11 -1.67 -3.44 116.57 108.25 1bnp h LYS 48 Ca 0.32 -0.12 -0.55 0.00 -2.81 0.00 0.00 60.65 57.48 1bnp h LYS 48 Cb 0.38 0.00 0.18 0.00 -1.00 0.00 0.00 32.23 31.79 1bnp h LYS 48 CO -0.30 0.64 0.13 0.98 -2.81 0.00 0.00 179.45 178.09 1bnp n TYR 49 N -4.01 0.72 0.12 1.91 9.36 0.87 -4.83 117.16 121.30 1bnp n TYR 49 Ca -0.02 0.39 0.04 0.00 3.32 0.00 0.00 57.90 61.63 1bnp n TYR 49 Cb 0.50 -2.07 0.18 0.00 -0.63 0.00 0.00 39.34 37.32 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 -2.23 0.04 -0.50 2.98 -0.02 -1.26 -4.94 135.00 129.06 1bnp n PRO 50 Ca 0.13 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.17 1bnp n PRO 50 Cb 0.50 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.69 -1.28 0.00 6.00 8.25 -1.26 -4.68 115.22 120.57 1bnp n HIS 51 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1bnp n HIS 51 Cb 0.04 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 29.99 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 -2.47 0.00 -2.59 -0.41 0.00 -1.26 -4.62 118.16 106.82 1bnp n LYS 52 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.25 1bnp n LYS 52 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.22 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 0.00-13.03 0.10 3.15 5.41 -1.26 -4.90 119.36 108.82 1bnp n ILE 53 Ca 0.00 2.85 -0.19 0.00 1.00 0.00 0.00 62.75 66.42 1bnp n ILE 53 Cb 0.00 -6.53 -0.11 0.00 -0.71 0.00 0.00 39.64 32.28 1bnp n ILE 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1bnp h LYS 54 N 4.16 0.47 0.00 0.38 3.64 -2.02 -3.39 116.57 119.81 1bnp h LYS 54 Ca -0.54 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.20 1bnp h LYS 54 Cb 1.21 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1bnp h LYS 54 CO 0.01 1.27 0.00 0.43 -2.27 0.00 0.00 179.45 178.89 1bnp n SER 55 N -3.70 0.00 0.00 4.20 7.64 -1.26 -4.99 113.62 115.50 1bnp n SER 55 Ca -0.11 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1bnp n SER 55 Cb 0.97 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.76 1.97 0.20 0.23 0.00 -1.26 -4.94 105.19 102.15 1bnp n GLY 56 Ca 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 4.61 0.00 -1.96 -2.55 119.26 120.23 1bnp h ALA 57 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bnp h ALA 57 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bnp h ALA 57 CO 0.00 0.00 0.14 0.93 0.00 0.00 0.00 179.25 180.32 1bnp h GLU 58 N 0.00 0.00 -0.74 0.00 5.08 -1.98 -1.29 114.58 115.65 1bnp h GLU 58 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1bnp h GLU 58 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1bnp h GLU 58 CO 0.00 0.00 0.49 0.00 -1.00 0.00 0.00 179.01 178.50 1bnp h ALA 59 N 1.84 0.94 -0.39 3.43 0.00 -1.84 -1.32 119.26 121.92 1bnp h ALA 59 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1bnp h ALA 59 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1bnp h ALA 59 CO -0.00 0.36 -0.07 0.87 0.00 0.00 0.00 179.25 180.41 1bnp h LYS 60 N 1.00 0.66 0.00 0.00 1.57 -1.46 -1.61 116.57 116.73 1bnp h LYS 60 Ca 0.27 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1bnp h LYS 60 Cb -0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1bnp h LYS 60 CO -0.06 0.73 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.25 1bnp h LYS 61 N 0.61 0.00 -6.05 3.15 3.64 -1.16 -3.42 116.57 113.35 1bnp h LYS 61 Ca 0.12 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.91 1bnp h LYS 61 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1bnp h LYS 61 CO 0.03 0.08 1.44 1.28 -2.27 0.00 0.00 179.45 180.01 1bnp n LEU 62 N -3.75 3.34 -4.77 5.20 4.77 -0.61 -4.91 117.00 116.27 1bnp n LEU 62 Ca -0.02 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.89 1bnp n LEU 62 Cb 0.18 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1bnp n LEU 62 CO 0.29 -0.54 1.10 -2.16 -1.33 0.00 0.00 177.39 174.75 1bnp s PRO 63 N 6.01 4.01 -0.01 3.23 0.04 -1.26 -1.87 135.00 145.15 1bnp s PRO 63 Ca 0.99 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.52 1bnp s PRO 63 Cb -0.39 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1bnp s PRO 63 CO 0.38 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1bnp n GLY 64 N 0.52 0.25 3.25 0.56 0.00 -1.26 -4.93 105.19 103.58 1bnp n GLY 64 Ca 0.02 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.49 0.02 0.00 1.61 1.01 -0.78 -4.75 120.40 116.02 1bnp s VAL 65 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1bnp s VAL 65 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1bnp s VAL 65 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1bnp n GLY 66 N 2.15 0.11 2.63 4.51 0.00 -1.26 -4.34 105.19 108.98 1bnp n GLY 66 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1bnp n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bnp s THR 67 N -0.10 1.38 0.00 2.61 -4.23 -1.26 -4.81 115.64 109.23 1bnp s THR 67 Ca 0.00 -3.08 0.00 0.00 -1.18 0.00 0.00 61.69 57.43 1bnp s THR 67 Cb 0.00 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1bnp s THR 67 CO 0.00 -1.07 0.00 1.17 -0.54 0.00 0.00 174.62 174.18 1bnp n LYS 68 N 2.81 0.00 0.01 3.99 4.81 -1.26 -4.80 118.16 123.72 1bnp n LYS 68 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1bnp n LYS 68 Cb 0.40 -2.61 -0.10 0.00 0.02 0.00 0.00 35.03 32.74 1bnp n LYS 68 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1bnp n ILE 69 N -2.00 1.21 0.02 3.15 0.00 -1.26 -3.98 119.36 116.50 1bnp n ILE 69 Ca 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 62.75 62.23 1bnp n ILE 69 Cb 0.00 -0.73 0.69 0.00 0.00 0.00 0.00 39.64 39.60 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 1.36 2.45 -0.46 1.51 0.00 -1.90 0.40 119.26 122.62 1bnp h ALA 70 Ca -0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1bnp h ALA 70 Cb 1.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1bnp h ALA 70 CO 0.05 -0.61 -0.04 1.49 0.00 0.00 0.00 179.25 180.14 1bnp h GLU 71 N 0.00 0.84 -0.35 0.00 4.57 -1.97 -2.62 114.58 115.06 1bnp h GLU 71 Ca 0.23 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1bnp h GLU 71 Cb 0.94 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1bnp h GLU 71 CO -0.00 0.91 -0.00 0.87 -1.18 0.00 0.00 179.01 179.61 1bnp h LYS 72 N 0.69 0.54 -0.03 1.92 1.57 -1.13 -1.20 116.57 118.92 1bnp h LYS 72 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1bnp h LYS 72 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1bnp h LYS 72 CO 0.03 0.56 -0.12 0.82 -0.57 0.00 0.00 179.45 180.17 1bnp h ILE 73 N 0.51 1.11 0.00 1.86 1.08 -1.07 -0.75 117.51 120.26 1bnp h ILE 73 Ca 0.11 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1bnp h ILE 73 Cb 0.34 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1bnp h ILE 73 CO 0.01 0.14 -0.51 0.44 -0.69 0.00 0.00 178.15 177.54 1bnp h ASP 74 N 0.04 0.00 -0.61 1.72 3.32 -1.02 -2.97 116.42 116.90 1bnp h ASP 74 Ca 0.01 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1bnp h ASP 74 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1bnp h ASP 74 CO 0.02 0.00 0.02 -0.08 -1.72 0.00 0.00 179.24 177.48 1bnp h GLU 75 N 0.00 1.06 0.07 3.56 4.81 -0.01 0.89 114.58 124.96 1bnp h GLU 75 Ca 0.00 -0.33 -0.30 0.00 -0.13 0.00 0.00 59.36 58.60 1bnp h GLU 75 Cb 1.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1bnp h GLU 75 CO 0.00 1.03 -1.59 0.74 -0.73 0.00 0.00 179.01 178.46 1bnp h PHE 76 N 0.96 0.27 0.00 0.92 0.04 -1.63 -3.21 116.94 114.29 1bnp h PHE 76 Ca 0.17 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bnp h PHE 76 Cb 0.54 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1bnp h PHE 76 CO 0.04 1.29 -0.16 1.28 -0.60 0.00 0.00 178.31 180.16 1bnp n LEU 77 N -3.33 0.50 0.27 1.54 7.99 -1.12 -2.52 117.00 120.34 1bnp n LEU 77 Ca -0.17 0.33 0.18 0.00 -0.01 0.00 0.00 56.01 56.34 1bnp n LEU 77 Cb 1.04 -0.60 0.90 0.00 -0.11 0.00 0.00 43.42 44.65 1bnp n LEU 77 CO 0.47 -0.49 1.15 0.00 -1.51 0.00 0.00 177.39 177.02 1bnp h ALA 78 N -1.72 1.50 -1.22 -1.18 0.00 0.51 -2.47 119.26 114.68 1bnp h ALA 78 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1bnp h ALA 78 Cb 0.16 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 1bnp h ALA 78 CO 0.00 -0.29 -1.03 2.41 0.00 0.00 0.00 179.25 180.35 1bnp n THR 79 N -3.31 1.48 -0.04 0.00 -1.04 0.04 -4.66 114.28 106.75 1bnp n THR 79 Ca -0.00 -3.78 -0.05 0.00 -2.04 0.00 0.00 64.05 58.18 1bnp n THR 79 Cb 0.32 -0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.72 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bnp n GLY 80 N -0.20 -0.25 0.00 3.41 0.00 -0.93 -4.61 105.19 102.61 1bnp n GLY 80 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1bnp n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bnp n LYS 81 N -2.52 0.72 -1.91 1.61 2.85 -1.26 -5.05 118.16 112.60 1bnp n LYS 81 Ca -0.14 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.82 1bnp n LYS 81 Cb 0.71 -1.01 0.05 0.00 -0.65 0.00 0.00 35.03 34.13 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bnp s LEU 82 N -4.84 2.87 -0.51 -5.58 1.43 -1.26 -5.04 118.68 105.76 1bnp s LEU 82 Ca -0.00 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 1bnp s LEU 82 Cb 0.00 -3.85 0.13 0.00 0.03 0.00 0.00 46.19 42.50 1bnp s LEU 82 CO 0.01 -1.38 0.25 -0.13 0.23 0.00 0.00 176.35 175.32 1bnp s ARG 83 N -5.37 1.93 0.23 1.70 0.52 -1.26 -4.79 118.95 111.91 1bnp s ARG 83 Ca 0.58 -2.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 1bnp s ARG 83 Cb -0.11 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.08 1bnp s ARG 83 CO 0.51 -1.10 0.00 1.17 0.02 0.00 0.00 175.30 175.90 1bnp n LYS 84 N 3.19 -4.36 -2.74 3.54 4.81 -1.26 -5.00 118.16 116.34 1bnp n LYS 84 Ca 0.05 3.17 -0.01 0.00 -0.87 0.00 0.00 58.31 60.65 1bnp n LYS 84 Cb 0.33 -3.38 0.08 0.00 0.02 0.00 0.00 35.03 32.07 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 0.98 0.49 -3.84 3.14 -0.00 -1.26 -5.10 117.00 111.41 1bnp n LEU 85 Ca 0.00 -3.06 -0.12 0.00 -0.00 0.00 0.00 56.01 52.82 1bnp n LEU 85 Cb 0.00 0.33 -0.13 0.00 -0.00 0.00 0.00 43.42 43.62 1bnp n LEU 85 CO 0.00 1.26 -0.26 -0.70 -0.00 0.00 0.00 177.39 177.69 1bnp s GLU 86 N -2.35 0.10 0.00 1.47 2.12 -1.26 -5.24 118.70 113.54 1bnp s GLU 86 Ca 0.21 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1bnp s GLU 86 Cb 0.36 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1bnp s GLU 86 CO -0.07 -0.02 0.00 1.63 -0.54 0.00 0.00 175.26 176.26