#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 0.00 -4.76 6.12 3.41 -1.26 -5.13 113.62 112.00 1bnp n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1bnp n SER 2 Cb 0.00 0.22 0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1bnp n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bnp s LYS 3 N -0.74 1.69 0.00 4.33 1.02 -1.26 -5.01 119.74 119.76 1bnp s LYS 3 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1bnp s LYS 3 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1bnp s LYS 3 CO 0.00 -1.93 0.38 0.54 -0.92 0.00 0.00 175.35 173.43 1bnp n ARG 4 N -3.66 0.00 -0.57 1.68 1.74 -1.26 -4.98 116.66 109.62 1bnp n ARG 4 Ca 0.07 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 1bnp n ARG 4 Cb 0.56 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 31.08 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnp n LYS 5 N -0.61 -1.14 -2.82 5.56 5.02 -1.26 -4.76 118.16 118.15 1bnp n LYS 5 Ca 0.00 0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 1bnp n LYS 5 Cb 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp s ALA 6 N -1.93 3.33 -0.80 7.82 0.00 -1.26 -4.93 121.76 123.99 1bnp s ALA 6 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 1bnp s ALA 6 Cb 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.27 1bnp s ALA 6 CO 0.00 -0.03 2.37 -1.25 0.00 0.00 0.00 175.76 176.84 1bnp s PRO 7 N -3.88 1.69 -0.44 0.00 0.04 -1.26 -4.79 135.00 126.35 1bnp s PRO 7 Ca 0.52 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 1bnp s PRO 7 Cb -0.10 -4.81 0.09 0.00 0.04 0.00 0.00 34.50 29.72 1bnp s PRO 7 CO 0.32 -4.34 2.67 1.04 0.04 0.00 0.00 177.00 176.73 1bnp n GLN 8 N 8.83 2.33 -3.89 4.56 6.02 -1.26 -4.88 117.38 129.09 1bnp n GLN 8 Ca 0.46 -2.27 -0.09 0.00 -0.01 0.00 0.00 57.00 55.09 1bnp n GLN 8 Cb 0.44 -2.08 -0.01 0.00 1.02 0.00 0.00 30.24 29.60 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1bnp s GLU 9 N -1.77 1.96 0.89 -1.09 1.03 -1.26 -5.14 118.70 113.32 1bnp s GLU 9 Ca 0.56 -1.32 -0.11 0.00 0.03 0.00 0.00 54.97 54.13 1bnp s GLU 9 Cb 0.37 0.57 0.13 0.00 -0.80 0.00 0.00 34.13 34.40 1bnp s GLU 9 CO -0.20 -0.88 1.09 -0.08 -1.33 0.00 0.00 175.26 173.86 1bnp s THR 10 N -3.16 2.68 0.70 1.83 -1.32 -1.26 -5.00 115.64 110.11 1bnp s THR 10 Ca 0.17 0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 60.76 1bnp s THR 10 Cb -0.04 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1bnp s THR 10 CO 0.11 -0.29 1.06 -0.22 -2.21 0.00 0.00 174.62 173.07 1bnp s LEU 11 N -6.28 3.15 0.00 9.08 2.96 -1.26 -5.06 118.68 121.28 1bnp s LEU 11 Ca 0.64 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 56.23 1bnp s LEU 11 Cb -0.19 -4.50 -0.00 0.00 0.50 0.00 0.00 46.19 41.99 1bnp s LEU 11 CO 0.57 -1.51 0.16 0.59 -1.32 0.00 0.00 176.35 174.84 1bnp n ASN 12 N -3.08 -0.43 0.00 3.68 4.13 -1.26 -4.87 115.26 113.43 1bnp n ASN 12 Ca 0.08 -1.85 0.00 0.00 1.68 0.00 0.00 54.58 54.49 1bnp n ASN 12 Cb 0.53 0.87 0.00 0.00 -1.54 0.00 0.00 39.78 39.64 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bnp n GLY 13 N -0.25 0.93 0.00 7.41 0.00 -1.26 -5.01 105.19 107.01 1bnp n GLY 13 Ca 0.02 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 1.05 1.86 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.87 1bnp n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.86 0.00 0.32 -0.61 5.41 -1.26 -3.39 119.36 118.96 1bnp n ILE 15 Ca 0.00 0.47 0.15 0.00 1.00 0.00 0.00 62.75 64.37 1bnp n ILE 15 Cb 0.00 -1.44 0.67 0.00 -0.71 0.00 0.00 39.64 38.17 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 0.00 0.00 0.14 1.39 1.03 -1.89 -0.12 112.91 113.45 1bnp h THR 16 Ca 0.00 -0.26 -0.19 0.00 -0.01 0.00 0.00 66.41 65.95 1bnp h THR 16 Cb 0.00 1.09 0.02 0.00 -1.07 0.00 0.00 68.15 68.19 1bnp h THR 16 CO 0.00 0.00 -0.82 0.44 -0.01 0.00 0.00 175.52 175.13 1bnp h ASP 17 N 0.00 0.45 0.88 0.00 5.19 -1.97 -2.25 116.42 118.72 1bnp h ASP 17 Ca 0.00 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 55.46 1bnp h ASP 17 Cb 0.31 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1bnp h ASP 17 CO 0.00 1.39 -0.22 0.23 -3.12 0.00 0.00 179.24 177.52 1bnp n MET 18 N -4.13 0.06 -0.07 3.56 2.81 -1.10 -1.65 117.12 116.59 1bnp n MET 18 Ca -0.14 0.03 -0.22 0.00 -1.81 0.00 0.00 57.70 55.56 1bnp n MET 18 Cb 0.82 -1.56 -0.12 0.00 -0.71 0.00 0.00 33.22 31.65 1bnp n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bnp h LEU 19 N 0.00 0.11 -0.73 4.03 3.38 -1.10 -2.90 115.31 118.11 1bnp h LEU 19 Ca 0.00 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.21 1bnp h LEU 19 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1bnp h LEU 19 CO 0.00 1.59 -0.53 0.58 0.09 0.00 0.00 178.44 180.18 1bnp h VAL 20 N -0.72 1.35 -0.27 1.22 2.07 -1.51 -2.63 116.25 115.77 1bnp h VAL 20 Ca -0.37 -1.80 -0.11 0.00 0.82 0.00 0.00 66.70 65.24 1bnp h VAL 20 Cb 1.50 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1bnp h VAL 20 CO -0.13 0.54 -0.30 -0.08 0.02 0.00 0.00 177.57 177.62 1bnp h GLU 21 N 0.23 0.55 -0.72 1.57 4.81 -1.46 -1.12 114.58 118.43 1bnp h GLU 21 Ca 0.01 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1bnp h GLU 21 Cb 1.00 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.30 1bnp h GLU 21 CO 0.08 0.79 0.39 1.25 -0.73 0.00 0.00 179.01 180.79 1bnp h LEU 22 N 0.47 0.54 -0.70 1.64 7.12 -1.25 0.13 115.31 123.27 1bnp h LEU 22 Ca 0.06 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 58.03 1bnp h LEU 22 Cb 0.76 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1bnp h LEU 22 CO 0.06 0.33 -0.42 0.00 -0.13 0.00 0.00 178.44 178.28 1bnp h ALA 23 N 1.40 0.90 0.00 1.25 0.00 -1.35 -2.82 119.26 118.65 1bnp h ALA 23 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 23 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bnp h ALA 23 CO -0.23 0.53 0.00 -1.71 0.00 0.00 0.00 179.25 177.84 1bnp n ASN 24 N -3.45 0.00 -0.27 0.00 5.15 0.38 -3.98 115.26 113.09 1bnp n ASN 24 Ca 0.00 -0.59 0.07 0.00 -0.60 0.00 0.00 54.58 53.46 1bnp n ASN 24 Cb 0.57 -0.11 0.19 0.00 -0.53 0.00 0.00 39.78 39.90 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1bnp h PHE 25 N 0.00 0.07 -2.98 1.20 -1.00 -1.05 -3.44 116.94 109.74 1bnp h PHE 25 Ca 0.00 0.05 -0.21 0.00 2.81 0.00 0.00 57.97 60.62 1bnp h PHE 25 Cb 0.10 0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1bnp h PHE 25 CO 0.00 -0.22 -0.24 0.39 -1.61 0.00 0.00 178.31 176.63 1bnp n GLU 26 N -5.30 -1.89 0.05 1.51 1.02 -1.26 -4.52 120.64 110.26 1bnp n GLU 26 Ca 0.15 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1bnp n GLU 26 Cb 0.52 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.33 0.00 0.04 3.49 0.00 -1.26 -4.70 118.16 113.39 1bnp n LYS 27 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.12 1bnp n LYS 27 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.40 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1bnp h ASN 28 N 0.00 0.00 0.56 3.14 2.35 -1.98 -3.32 115.58 116.34 1bnp h ASN 28 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1bnp h ASN 28 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1bnp h ASN 28 CO 0.00 0.99 -1.57 0.52 -1.65 0.00 0.00 177.43 175.72 1bnp n VAL 29 N -3.27 1.09 0.29 2.81 0.31 -1.26 -3.96 118.33 114.33 1bnp n VAL 29 Ca -0.04 -0.69 0.14 0.00 -0.01 0.00 0.00 64.34 63.74 1bnp n VAL 29 Cb 0.96 -0.63 0.86 0.00 -0.91 0.00 0.00 33.84 34.12 1bnp n VAL 29 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bnp h SER 30 N 0.00 0.00 -0.82 4.52 0.87 -1.84 -1.51 113.55 114.77 1bnp h SER 30 Ca -0.19 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.82 1bnp h SER 30 Cb 1.60 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.32 1bnp h SER 30 CO 0.04 0.00 0.71 1.67 -0.53 0.00 0.00 176.83 178.72 1bnp n GLN 31 N -3.99 2.36 0.00 2.24 0.00 -1.25 -4.50 117.38 112.24 1bnp n GLN 31 Ca -0.03 -2.69 0.00 0.00 -0.00 0.00 0.00 57.00 54.28 1bnp n GLN 31 Cb 0.08 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.27 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 -0.52 0.00 0.25 1.69 0.00 -0.57 -5.01 120.51 116.35 1bnp n ALA 32 Ca 0.52 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.08 1bnp n ALA 32 Cb 0.70 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.76 1bnp n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bnp h ILE 33 N 0.00 0.00 -0.43 0.00 6.09 -1.79 -1.71 117.51 119.67 1bnp h ILE 33 Ca 0.00 -0.09 -0.07 0.00 -1.37 0.00 0.00 64.86 63.33 1bnp h ILE 33 Cb 0.00 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 37.98 1bnp h ILE 33 CO 0.00 0.00 -0.02 0.45 -3.07 0.00 0.00 178.15 175.51 1bnp h HIS 34 N 0.00 0.75 0.00 2.19 3.86 -1.95 -2.62 115.15 117.38 1bnp h HIS 34 Ca 0.00 -0.10 -0.16 0.00 -1.16 0.00 0.00 60.37 58.95 1bnp h HIS 34 Cb 0.14 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1bnp h HIS 34 CO 0.00 0.72 -1.44 1.63 0.86 0.00 0.00 177.93 179.70 1bnp n LYS 35 N -4.22 0.62 0.21 2.45 5.02 -0.71 -3.96 118.16 117.56 1bnp n LYS 35 Ca 0.02 0.19 -0.15 0.00 -2.02 0.00 0.00 58.31 56.35 1bnp n LYS 35 Cb 0.29 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.59 0.00 2.13 5.03 -1.03 -1.37 116.97 121.15 1bnp h TYR 36 Ca -0.16 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1bnp h TYR 36 Cb 1.54 0.21 0.00 0.00 1.55 0.00 0.00 36.73 40.03 1bnp h TYR 36 CO 0.00 -0.34 0.00 0.27 -1.32 0.00 0.00 178.16 176.77 1bnp n ASN 37 N -5.35 0.62 0.10 -2.11 0.23 -1.02 -2.73 115.26 105.00 1bnp n ASN 37 Ca -0.10 0.71 -0.12 0.00 -0.53 0.00 0.00 54.58 54.53 1bnp n ASN 37 Cb 0.26 -0.82 -0.06 0.00 -2.08 0.00 0.00 39.78 37.08 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bnp h ALA 38 N 2.15 -0.27 0.00 -2.53 0.00 -1.37 -2.54 119.26 114.70 1bnp h ALA 38 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bnp h ALA 38 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bnp h ALA 38 CO 0.00 -0.68 -0.65 1.88 0.00 0.00 0.00 179.25 179.79 1bnp h TYR 39 N -0.32 0.00 0.23 0.00 0.05 -1.60 -3.05 116.97 112.29 1bnp h TYR 39 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1bnp h TYR 39 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1bnp h TYR 39 CO -0.15 0.00 -0.11 -0.09 -1.05 0.00 0.00 178.16 176.75 1bnp h ARG 40 N 0.00 -0.30 -0.18 4.88 9.65 -1.30 0.16 114.38 127.28 1bnp h ARG 40 Ca 0.00 0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.78 1bnp h ARG 40 Cb 0.82 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1bnp h ARG 40 CO 0.00 -0.01 -0.37 1.57 2.80 0.00 0.00 179.97 183.96 1bnp h LYS 41 N -0.59 0.57 0.00 0.20 2.10 -1.60 -2.77 116.57 114.48 1bnp h LYS 41 Ca -0.03 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1bnp h LYS 41 Cb 0.43 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1bnp h LYS 41 CO 0.05 0.98 0.00 0.00 -2.00 0.00 0.00 179.45 178.49 1bnp h ALA 42 N 0.59 1.00 0.02 0.07 0.00 -1.54 -1.84 119.26 117.55 1bnp h ALA 42 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1bnp h ALA 42 Cb 0.97 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1bnp h ALA 42 CO 0.08 0.00 -1.42 0.00 0.00 0.00 0.00 179.25 177.91 1bnp h ALA 43 N 2.09 0.54 0.00 0.00 0.00 -0.41 -3.11 119.26 118.37 1bnp h ALA 43 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1bnp h ALA 43 Cb 0.18 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bnp h ALA 43 CO 0.00 1.40 0.00 1.03 0.00 0.00 0.00 179.25 181.68 1bnp h SER 44 N 0.01 0.00 0.21 0.00 0.87 -1.15 -1.65 113.55 111.84 1bnp h SER 44 Ca -0.18 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.03 1bnp h SER 44 Cb 1.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.86 1bnp h SER 44 CO 0.11 0.00 -1.93 0.55 -0.53 0.00 0.00 176.83 175.03 1bnp n VAL 45 N -2.91 1.75 0.08 2.23 3.14 -1.07 -3.80 118.33 117.75 1bnp n VAL 45 Ca 0.03 -0.69 0.11 0.00 -2.96 0.00 0.00 64.34 60.83 1bnp n VAL 45 Cb 0.45 -1.57 -0.03 0.00 -1.06 0.00 0.00 33.84 31.63 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 -3.38 0.58 -0.03 1.55 -5.35 -1.18 -3.52 119.36 108.04 1bnp n ILE 46 Ca -0.28 -0.55 -0.13 0.00 -0.27 0.00 0.00 62.75 61.51 1bnp n ILE 46 Cb 1.05 -0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.62 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 1.95 0.53 -0.13 -1.28 0.00 -1.48 -2.68 119.26 116.17 1bnp h ALA 47 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1bnp h ALA 47 Cb 1.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1bnp h ALA 47 CO 0.00 0.69 -0.38 0.87 0.00 0.00 0.00 179.25 180.44 1bnp h LYS 48 N 0.53 0.29 -7.23 0.00 1.57 -1.70 -3.44 116.57 106.58 1bnp h LYS 48 Ca -0.00 -0.13 -0.51 0.00 -1.87 0.00 0.00 60.65 58.14 1bnp h LYS 48 Cb 1.20 -0.01 0.20 0.00 0.08 0.00 0.00 32.23 33.71 1bnp h LYS 48 CO 0.12 0.63 0.15 0.98 -0.57 0.00 0.00 179.45 180.76 1bnp n TYR 49 N -4.05 0.43 0.38 -1.35 4.19 -1.01 -4.84 117.16 110.91 1bnp n TYR 49 Ca -0.01 0.30 0.06 0.00 3.31 0.00 0.00 57.90 61.55 1bnp n TYR 49 Cb 0.46 -1.94 0.26 0.00 0.49 0.00 0.00 39.34 38.61 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 -4.31 0.01 -0.04 2.98 -0.05 -1.26 -4.97 135.00 127.36 1bnp n PRO 50 Ca 0.10 0.32 0.01 0.00 -0.05 0.00 0.00 63.50 63.88 1bnp n PRO 50 Cb 0.52 -1.53 -0.00 0.00 -0.05 0.00 0.00 33.50 32.45 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 -1.55 -1.64 -3.16 0.54 8.25 -1.26 -5.02 115.22 111.38 1bnp n HIS 51 Ca 0.03 0.05 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1bnp n HIS 51 Cb 0.13 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.70 -1.58 -4.17 -0.41 5.02 -1.26 -4.96 118.16 110.10 1bnp n LYS 52 Ca 0.00 1.48 -0.34 0.00 -2.02 0.00 0.00 58.31 57.43 1bnp n LYS 52 Cb 0.02 -2.64 -0.11 0.00 -0.02 0.00 0.00 35.03 32.28 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 -1.44 4.23 0.01 -0.18 -4.36 -1.26 -4.98 121.20 113.22 1bnp s ILE 53 Ca 0.14 -0.23 -0.20 0.00 -0.26 0.00 0.00 60.65 60.10 1bnp s ILE 53 Cb -0.02 -2.89 -0.21 0.00 1.25 0.00 0.00 42.46 40.59 1bnp s ILE 53 CO 0.49 0.46 1.15 0.50 0.24 0.00 0.00 174.94 177.78 1bnp h LYS 54 N 6.94 0.37 -7.06 0.37 3.64 -2.01 -3.45 116.57 115.38 1bnp h LYS 54 Ca -0.34 -0.34 -0.45 0.00 -1.27 0.00 0.00 60.65 58.25 1bnp h LYS 54 Cb 1.18 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1bnp h LYS 54 CO 0.65 0.99 0.35 -1.12 -2.27 0.00 0.00 179.45 178.05 1bnp s SER 55 N -6.54 6.78 0.12 4.20 0.01 -1.26 -4.96 113.70 112.05 1bnp s SER 55 Ca -0.14 1.77 0.25 0.00 1.31 0.00 0.00 55.95 59.14 1bnp s SER 55 Cb 0.04 -2.55 0.56 0.00 0.21 0.00 0.00 66.02 64.28 1bnp s SER 55 CO 0.79 -0.47 1.50 0.61 0.41 0.00 0.00 173.24 176.08 1bnp n GLY 56 N -0.49 -1.48 1.38 3.44 0.00 -1.26 -3.71 105.19 103.07 1bnp n GLY 56 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp n ALA 57 N -1.75 3.51 0.00 4.61 0.00 -1.26 -4.17 120.51 121.45 1bnp n ALA 57 Ca 0.04 -1.20 -0.21 0.00 0.00 0.00 0.00 53.44 52.08 1bnp n ALA 57 Cb 0.42 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1bnp n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bnp h GLU 58 N 1.80 0.22 0.00 0.00 4.57 -1.98 -2.74 114.58 116.45 1bnp h GLU 58 Ca 0.09 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1bnp h GLU 58 Cb 1.51 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1bnp h GLU 58 CO 0.36 1.18 -0.15 0.00 -1.18 0.00 0.00 179.01 179.22 1bnp h ALA 59 N -0.06 0.96 0.07 2.92 0.00 -1.86 -3.04 119.26 118.24 1bnp h ALA 59 Ca -0.28 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 1bnp h ALA 59 Cb 1.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1bnp h ALA 59 CO 0.05 0.19 -1.52 -0.22 0.00 0.00 0.00 179.25 177.74 1bnp h LYS 60 N 0.00 0.15 -0.12 0.00 3.64 -1.77 -3.34 116.57 115.14 1bnp h LYS 60 Ca -0.00 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1bnp h LYS 60 Cb 0.84 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1bnp h LYS 60 CO 0.02 0.96 -0.46 1.57 -2.27 0.00 0.00 179.45 179.27 1bnp h LYS 61 N 0.04 0.28 -6.19 1.90 2.10 -1.46 -3.42 116.57 109.82 1bnp h LYS 61 Ca -0.23 -0.15 -0.57 0.00 -2.00 0.00 0.00 60.65 57.70 1bnp h LYS 61 Cb 1.98 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.31 1bnp h LYS 61 CO 0.13 0.69 1.31 -0.51 -2.00 0.00 0.00 179.45 179.07 1bnp s LEU 62 N -8.20 3.80 0.68 7.07 1.43 -1.15 -4.94 118.68 117.36 1bnp s LEU 62 Ca -0.05 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 1bnp s LEU 62 Cb 0.13 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.83 1bnp s LEU 62 CO 0.79 -1.53 1.27 -2.16 0.23 0.00 0.00 176.35 174.95 1bnp s PRO 63 N 5.38 2.39 0.00 1.29 0.04 -1.26 -3.47 135.00 139.36 1bnp s PRO 63 Ca 0.88 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1bnp s PRO 63 Cb -0.32 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1bnp s PRO 63 CO 0.35 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1bnp n GLY 64 N 0.80 2.99 3.13 0.56 0.00 -1.26 -4.99 105.19 106.42 1bnp n GLY 64 Ca 0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 1.42 0.00 1.61 1.01 -1.23 -4.98 120.40 118.23 1bnp s VAL 65 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1bnp s VAL 65 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1bnp s VAL 65 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1bnp n GLY 66 N 3.23 0.10 0.62 4.51 0.00 -1.26 -4.52 105.19 107.88 1bnp n GLY 66 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -5.00 114.28 109.59 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 2.29 -0.64 0.00 0.00 175.07 176.72 1bnp n LYS 68 N -1.74 0.00 0.31 -2.82 2.85 -1.26 -4.79 118.16 110.71 1bnp n LYS 68 Ca 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.44 1bnp n LYS 68 Cb 0.00 -0.53 0.99 0.00 -0.65 0.00 0.00 35.03 34.83 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1bnp h ILE 69 N 0.00 0.25 -0.56 0.58 1.08 -1.95 -2.50 117.51 114.41 1bnp h ILE 69 Ca 0.00 -0.17 0.16 0.00 -0.39 0.00 0.00 64.86 64.47 1bnp h ILE 69 Cb 0.21 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1bnp h ILE 69 CO 0.00 0.02 0.51 0.00 -0.69 0.00 0.00 178.15 177.99 1bnp h ALA 70 N 1.98 2.37 -0.21 1.87 0.00 -1.94 0.53 119.26 123.86 1bnp h ALA 70 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1bnp h ALA 70 Cb 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 70 CO 0.00 -0.80 -0.22 1.49 0.00 0.00 0.00 179.25 179.72 1bnp h GLU 71 N 0.00 0.52 -0.23 0.00 4.57 -1.82 -2.88 114.58 114.75 1bnp h GLU 71 Ca 0.27 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1bnp h GLU 71 Cb 1.28 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1bnp h GLU 71 CO -0.00 0.86 -0.03 0.87 -1.18 0.00 0.00 179.01 179.53 1bnp h LYS 72 N 0.20 0.34 -0.49 1.92 1.57 -1.10 -1.64 116.57 117.37 1bnp h LYS 72 Ca 0.03 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1bnp h LYS 72 Cb 0.77 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1bnp h LYS 72 CO 0.05 0.40 0.16 0.82 -0.57 0.00 0.00 179.45 180.31 1bnp h ILE 73 N 0.33 1.20 0.00 1.86 1.08 -1.26 -1.12 117.51 119.60 1bnp h ILE 73 Ca 0.07 -0.66 -0.10 0.00 -0.39 0.00 0.00 64.86 63.78 1bnp h ILE 73 Cb 0.28 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1bnp h ILE 73 CO 0.01 0.25 -0.48 0.44 -0.69 0.00 0.00 178.15 177.68 1bnp h ASP 74 N 0.71 0.00 -0.90 1.72 3.32 -1.10 -2.91 116.42 117.26 1bnp h ASP 74 Ca 0.17 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1bnp h ASP 74 Cb 0.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1bnp h ASP 74 CO -0.01 0.48 0.59 -0.08 -1.72 0.00 0.00 179.24 178.50 1bnp h GLU 75 N 0.00 1.13 -0.22 3.56 4.57 -0.80 0.71 114.58 123.53 1bnp h GLU 75 Ca -0.00 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1bnp h GLU 75 Cb 0.89 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1bnp h GLU 75 CO 0.06 0.75 0.09 0.74 -1.18 0.00 0.00 179.01 179.47 1bnp h PHE 76 N 1.16 0.33 -0.41 0.92 0.04 -1.39 -2.49 116.94 115.10 1bnp h PHE 76 Ca 0.35 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.05 1bnp h PHE 76 Cb -0.05 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 1bnp h PHE 76 CO -0.01 0.35 0.05 1.28 -0.60 0.00 0.00 178.31 179.39 1bnp n LEU 77 N -4.82 4.27 0.15 1.54 4.77 -0.84 -4.16 117.00 117.92 1bnp n LEU 77 Ca -0.03 -2.18 0.04 0.00 -0.03 0.00 0.00 56.01 53.80 1bnp n LEU 77 Cb 0.12 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1bnp n LEU 77 CO 0.35 0.54 0.53 0.00 -1.33 0.00 0.00 177.39 177.48 1bnp h ALA 78 N 3.07 0.73 0.00 -1.18 0.00 0.91 -3.13 119.26 119.66 1bnp h ALA 78 Ca 0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1bnp h ALA 78 Cb 1.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1bnp h ALA 78 CO 0.37 0.55 -0.67 0.00 0.00 0.00 0.00 179.25 179.50 1bnp h THR 79 N 0.00 1.17 0.30 0.00 1.03 -1.76 -3.35 112.91 110.29 1bnp h THR 79 Ca -0.00 -2.60 -0.01 0.00 -0.01 0.00 0.00 66.41 63.79 1bnp h THR 79 Cb 1.30 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.93 1bnp h THR 79 CO 0.06 0.66 -0.14 1.23 -0.01 0.00 0.00 175.52 177.31 1bnp h GLY 80 N 3.21 -0.41 -0.03 2.99 0.00 -1.83 -3.47 103.07 103.52 1bnp h GLY 80 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1bnp h GLY 80 CO 0.09 -0.15 -0.00 0.28 0.00 0.00 0.00 176.54 176.75 1bnp n LYS 81 N -4.82 1.27 -4.32 4.80 5.02 -1.19 -5.02 118.16 113.91 1bnp n LYS 81 Ca -0.05 -0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.90 1bnp n LYS 81 Cb 0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1bnp s LEU 82 N 0.00 2.94 -0.88 -0.35 2.34 -1.26 -4.70 118.68 116.77 1bnp s LEU 82 Ca 0.01 -1.23 -0.13 0.00 0.06 0.00 0.00 54.13 52.83 1bnp s LEU 82 Cb -0.00 -1.20 0.23 0.00 -0.56 0.00 0.00 46.19 44.66 1bnp s LEU 82 CO 0.01 -0.59 0.83 -0.13 -1.06 0.00 0.00 176.35 175.41 1bnp s ARG 83 N -3.87 3.71 -0.74 1.48 0.52 -1.26 -4.97 118.95 113.82 1bnp s ARG 83 Ca 0.35 -2.59 -0.05 0.00 -0.52 0.00 0.00 55.73 52.92 1bnp s ARG 83 Cb 0.05 -4.46 0.19 0.00 0.52 0.00 0.00 34.95 31.25 1bnp s ARG 83 CO 0.19 -1.29 0.60 0.21 0.02 0.00 0.00 175.30 175.03 1bnp s LYS 84 N -0.06 2.96 0.15 3.54 2.20 -1.26 -5.02 119.74 122.25 1bnp s LYS 84 Ca 0.20 -2.72 -0.01 0.00 -0.36 0.00 0.00 55.97 53.08 1bnp s LYS 84 Cb -0.10 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1bnp s LYS 84 CO -0.09 -1.22 0.21 1.47 -0.36 0.00 0.00 175.35 175.37 1bnp n LEU 85 N 3.27 0.00 -3.43 5.43 -0.00 -1.26 -5.16 117.00 115.86 1bnp n LEU 85 Ca 0.13 -1.18 -0.14 0.00 -0.00 0.00 0.00 56.01 54.81 1bnp n LEU 85 Cb 0.39 1.09 -0.11 0.00 -0.00 0.00 0.00 43.42 44.80 1bnp n LEU 85 CO 0.34 -0.28 -0.14 -1.83 -0.00 0.00 0.00 177.39 175.49 1bnp s GLU 86 N -2.31 0.27 0.00 1.47 -1.05 -1.26 -5.33 118.70 110.49 1bnp s GLU 86 Ca 0.12 0.31 0.07 0.00 -0.15 0.00 0.00 54.97 55.32 1bnp s GLU 86 Cb -0.01 -0.87 0.44 0.00 -0.44 0.00 0.00 34.13 33.25 1bnp s GLU 86 CO 0.08 -0.68 0.90 0.36 0.95 0.00 0.00 175.26 176.87