#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 3.18 -0.46 7.83 0.15 -1.26 -5.00 113.70 118.14 1bnp s SER 2 Ca 0.00 -3.20 0.07 0.00 0.70 0.00 0.00 55.95 53.52 1bnp s SER 2 Cb 0.00 -0.99 0.18 0.00 -1.71 0.00 0.00 66.02 63.50 1bnp s SER 2 CO 0.00 -0.17 0.67 -0.54 1.20 0.00 0.00 173.24 174.40 1bnp s LYS 3 N -0.35 0.94 0.00 5.44 1.02 -1.26 -4.98 119.74 120.55 1bnp s LYS 3 Ca 0.26 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.56 1bnp s LYS 3 Cb -0.07 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1bnp s LYS 3 CO -0.13 -1.26 0.00 2.89 -0.92 0.00 0.00 175.35 175.93 1bnp n ARG 4 N 3.68 0.00 -3.12 1.68 1.85 -1.26 -5.02 116.66 114.48 1bnp n ARG 4 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.86 1bnp n ARG 4 Cb 0.56 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.95 1bnp n ARG 4 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1bnp n LYS 5 N -1.32 -2.35 -1.95 2.89 2.85 -1.26 -4.85 118.16 112.16 1bnp n LYS 5 Ca 0.00 0.08 -0.40 0.00 -1.05 0.00 0.00 58.31 56.94 1bnp n LYS 5 Cb 0.00 -4.62 -0.00 0.00 -0.65 0.00 0.00 35.03 29.75 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bnp s ALA 6 N -2.42 3.42 0.00 0.58 0.00 -1.26 -4.97 121.76 117.11 1bnp s ALA 6 Ca 0.26 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1bnp s ALA 6 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1bnp s ALA 6 CO 0.31 -0.91 0.48 -0.35 0.00 0.00 0.00 175.76 175.29 1bnp n PRO 7 N 0.36 0.00 -1.43 0.00 -0.04 -1.26 -4.89 135.00 127.73 1bnp n PRO 7 Ca 0.02 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1bnp n PRO 7 Cb 0.41 -1.01 0.06 0.00 -0.04 0.00 0.00 33.50 32.93 1bnp n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bnp n GLN 8 N -0.91 0.14 -0.01 0.54 10.64 -1.26 -5.05 117.38 121.46 1bnp n GLN 8 Ca 0.00 -1.22 -0.02 0.00 -1.83 0.00 0.00 57.00 53.93 1bnp n GLN 8 Cb 0.00 -0.36 -0.02 0.00 -0.86 0.00 0.00 30.24 29.00 1bnp n GLN 8 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1bnp n GLU 9 N -1.93 1.07 0.00 2.61 1.02 -1.26 -5.02 120.64 117.13 1bnp n GLU 9 Ca 0.08 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1bnp n GLU 9 Cb 0.27 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1bnp n GLU 9 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1bnp n THR 10 N -2.45 0.00 -1.98 2.62 5.66 -1.26 -5.14 114.28 111.72 1bnp n THR 10 Ca -0.05 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 1bnp n THR 10 Cb 0.57 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.42 1bnp n THR 10 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bnp s LEU 11 N -1.44 2.67 0.00 1.09 1.43 -1.26 -5.09 118.68 116.08 1bnp s LEU 11 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1bnp s LEU 11 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1bnp s LEU 11 CO 0.00 -1.70 0.00 0.59 0.23 0.00 0.00 176.35 175.47 1bnp n ASN 12 N -3.15 0.00 -0.03 2.29 3.02 -1.26 -4.94 115.26 111.20 1bnp n ASN 12 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1bnp n ASN 12 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bnp n GLY 13 N 5.00 0.56 2.01 7.41 0.00 -1.26 -4.93 105.19 113.98 1bnp n GLY 13 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.03 3.73 0.06 -0.02 0.00 -1.26 -4.51 105.19 103.17 1bnp n GLY 14 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.22 1.28 0.08 -0.61 5.41 -1.26 -2.85 119.36 121.19 1bnp n ILE 15 Ca 0.42 0.24 0.05 0.00 1.00 0.00 0.00 62.75 64.46 1bnp n ILE 15 Cb 1.41 -2.30 0.47 0.00 -0.71 0.00 0.00 39.64 38.50 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 -0.90 1.09 0.00 1.39 1.03 -1.84 -1.49 112.91 112.18 1bnp h THR 16 Ca 0.00 -0.21 -0.08 0.00 -0.01 0.00 0.00 66.41 66.11 1bnp h THR 16 Cb 0.49 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 1bnp h THR 16 CO 0.00 0.09 -0.47 -0.78 -0.01 0.00 0.00 175.52 174.36 1bnp h ASP 17 N 0.39 0.00 0.28 0.00 1.82 -1.79 -3.07 116.42 114.05 1bnp h ASP 17 Ca 0.10 -0.60 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 1bnp h ASP 17 Cb 0.00 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 1bnp h ASP 17 CO -0.02 1.07 -0.06 -0.03 -1.61 0.00 0.00 179.24 178.59 1bnp h MET 18 N -1.00 0.00 0.12 0.28 4.05 -1.52 -0.39 114.93 116.47 1bnp h MET 18 Ca -0.12 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.13 1bnp h MET 18 Cb 0.91 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.73 1bnp h MET 18 CO -0.07 0.06 -0.76 -0.07 0.23 0.00 0.00 176.91 176.30 1bnp h LEU 19 N 0.00 0.46 -1.90 3.39 3.38 -1.41 -3.03 115.31 116.20 1bnp h LEU 19 Ca -0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1bnp h LEU 19 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1bnp h LEU 19 CO 0.01 1.36 0.00 0.58 0.09 0.00 0.00 178.44 180.48 1bnp h VAL 20 N -0.36 0.00 -0.02 1.22 2.07 -1.32 -2.63 116.25 115.20 1bnp h VAL 20 Ca -0.13 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1bnp h VAL 20 Cb 1.59 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1bnp h VAL 20 CO 0.14 0.00 -0.06 -0.08 0.02 0.00 0.00 177.57 177.59 1bnp h GLU 21 N 0.00 0.08 -0.37 1.57 4.57 -0.96 -1.34 114.58 118.13 1bnp h GLU 21 Ca 0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1bnp h GLU 21 Cb 0.20 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1bnp h GLU 21 CO 0.00 0.66 0.24 1.25 -1.18 0.00 0.00 179.01 179.98 1bnp h LEU 22 N -0.48 0.41 -0.78 1.64 6.46 -1.43 0.78 115.31 121.92 1bnp h LEU 22 Ca -0.00 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.62 1bnp h LEU 22 Cb 0.66 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1bnp h LEU 22 CO 0.01 0.30 -0.57 0.00 -0.62 0.00 0.00 178.44 177.56 1bnp h ALA 23 N 1.77 0.97 0.00 1.25 0.00 -1.45 -2.24 119.26 119.57 1bnp h ALA 23 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bnp h ALA 23 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1bnp h ALA 23 CO -0.03 0.71 0.00 -1.71 0.00 0.00 0.00 179.25 178.22 1bnp n ASN 24 N -3.88 0.00 -0.28 0.00 5.15 0.20 -4.09 115.26 112.36 1bnp n ASN 24 Ca -0.02 -0.32 0.20 0.00 -0.60 0.00 0.00 54.58 53.84 1bnp n ASN 24 Cb 0.58 -0.19 0.38 0.00 -0.53 0.00 0.00 39.78 40.02 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 -1.19 0.78 -1.99 1.20 3.01 -0.79 -4.72 117.46 113.76 1bnp n PHE 25 Ca 0.15 0.99 -0.10 0.00 1.01 0.00 0.00 57.45 59.50 1bnp n PHE 25 Cb 0.17 -1.28 -0.02 0.00 -0.01 0.00 0.00 39.48 38.34 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 -5.02 -1.92 0.00 -1.08 0.00 -1.26 -4.53 120.64 106.83 1bnp n GLU 26 Ca 0.26 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.94 1bnp n GLU 26 Cb 0.88 -4.94 0.00 0.00 0.00 0.00 0.00 31.44 27.39 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bnp n LYS 27 N -2.30 0.00 0.21 5.31 5.02 -1.26 -4.69 118.16 120.45 1bnp n LYS 27 Ca -0.11 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.24 1bnp n LYS 27 Cb 0.48 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.95 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1bnp h ASN 28 N 0.00 0.00 0.17 4.39 -0.73 -1.98 -2.98 115.58 114.45 1bnp h ASN 28 Ca 0.00 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.92 1bnp h ASN 28 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 1bnp h ASN 28 CO 0.00 0.29 -2.07 0.52 -0.37 0.00 0.00 177.43 175.80 1bnp n VAL 29 N -3.93 1.07 -2.48 2.57 0.31 -1.26 -4.87 118.33 109.74 1bnp n VAL 29 Ca -0.02 -0.75 -0.23 0.00 -0.01 0.00 0.00 64.34 63.33 1bnp n VAL 29 Cb 0.36 -0.46 0.07 0.00 -0.91 0.00 0.00 33.84 32.91 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bnp s SER 30 N -5.38 4.78 -2.14 4.52 0.15 -1.13 -3.74 113.70 110.76 1bnp s SER 30 Ca -0.08 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1bnp s SER 30 Cb 0.08 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1bnp s SER 30 CO 0.84 -1.55 0.00 0.00 1.20 0.00 0.00 173.24 173.73 1bnp n GLN 31 N -2.70 -1.45 0.00 5.44 3.00 -1.26 -4.54 117.38 115.87 1bnp n GLN 31 Ca 0.10 1.19 0.00 0.00 -0.01 0.00 0.00 57.00 58.29 1bnp n GLN 31 Cb 0.60 -5.57 0.00 0.00 0.00 0.00 0.00 30.24 25.27 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 1.25 0.00 -1.05 -1.58 0.00 -1.26 -5.13 120.51 112.75 1bnp n ALA 32 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1bnp n ALA 32 Cb 0.67 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.24 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 0.00 1.56 0.00 0.00 2.08 -1.25 -4.80 119.36 116.96 1bnp n ILE 33 Ca 0.00 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1bnp n ILE 33 Cb 0.00 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp n HIS 34 N -3.30 -0.06 -2.12 1.39 1.44 -1.26 -4.93 115.22 106.39 1bnp n HIS 34 Ca 0.12 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.85 1bnp n HIS 34 Cb 0.51 0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.91 0.12 -0.21 -1.40 5.02 -1.26 -4.86 118.16 114.67 1bnp n LYS 35 Ca 0.00 -1.52 -0.10 0.00 -2.02 0.00 0.00 58.31 54.67 1bnp n LYS 35 Cb 0.00 -0.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 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 0.39 1.17 0.00 2.13 5.03 -1.91 -2.25 116.97 121.53 1bnp h TYR 36 Ca -0.08 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.01 1bnp h TYR 36 Cb 1.54 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 39.52 1bnp h TYR 36 CO 0.15 1.05 0.00 -1.71 -1.32 0.00 0.00 178.16 176.32 1bnp n ASN 37 N -4.17 0.00 0.10 -2.11 2.85 -1.26 -2.89 115.26 107.78 1bnp n ASN 37 Ca 0.02 -0.88 -0.23 0.00 -0.11 0.00 0.00 54.58 53.38 1bnp n ASN 37 Cb 0.37 -0.03 -0.14 0.00 1.24 0.00 0.00 39.78 41.22 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bnp h ALA 38 N 3.90 -0.05 0.02 5.20 0.00 -1.76 -2.09 119.26 124.49 1bnp h ALA 38 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 54.91 53.83 1bnp h ALA 38 Cb 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1bnp h ALA 38 CO 0.00 0.66 -1.74 1.88 0.00 0.00 0.00 179.25 180.05 1bnp h TYR 39 N 0.21 0.09 -0.25 0.00 0.05 -1.65 -2.75 116.97 112.68 1bnp h TYR 39 Ca -0.20 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.38 1bnp h TYR 39 Cb 1.95 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.68 1bnp h TYR 39 CO 0.12 1.14 -0.38 -0.09 -1.05 0.00 0.00 178.16 177.90 1bnp h ARG 40 N 0.01 0.70 0.05 4.88 1.12 -1.65 -2.00 114.38 117.49 1bnp h ARG 40 Ca -0.30 -0.42 -0.26 0.00 -1.11 0.00 0.00 59.98 57.88 1bnp h ARG 40 Cb 2.01 0.04 0.02 0.00 -0.01 0.00 0.00 29.97 32.03 1bnp h ARG 40 CO 0.08 1.04 -1.09 -0.22 -3.11 0.00 0.00 179.97 176.68 1bnp h LYS 41 N 0.42 0.54 -0.48 0.20 3.64 -1.53 -2.79 116.57 116.58 1bnp h LYS 41 Ca 0.02 -0.64 -0.03 0.00 -1.27 0.00 0.00 60.65 58.72 1bnp h LYS 41 Cb 0.98 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1bnp h LYS 41 CO 0.09 1.26 0.15 0.00 -2.27 0.00 0.00 179.45 178.68 1bnp h ALA 42 N 0.51 1.38 0.00 5.00 0.00 -1.51 -1.78 119.26 122.86 1bnp h ALA 42 Ca -0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1bnp h ALA 42 Cb 1.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1bnp h ALA 42 CO 0.20 0.46 -0.48 0.00 0.00 0.00 0.00 179.25 179.43 1bnp h ALA 43 N 1.49 0.83 0.00 0.00 0.00 -1.37 -2.43 119.26 117.78 1bnp h ALA 43 Ca 0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1bnp h ALA 43 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bnp h ALA 43 CO -0.01 0.60 -0.30 1.03 0.00 0.00 0.00 179.25 180.57 1bnp h SER 44 N 0.00 0.00 0.22 0.00 0.87 -1.05 -1.99 113.55 111.61 1bnp h SER 44 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1bnp h SER 44 Cb 1.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1bnp h SER 44 CO 0.06 0.30 -1.93 0.55 -0.53 0.00 0.00 176.83 175.28 1bnp n VAL 45 N -3.35 1.73 0.09 2.23 3.14 -0.98 -3.89 118.33 117.30 1bnp n VAL 45 Ca 0.01 -0.70 -0.07 0.00 -2.96 0.00 0.00 64.34 60.62 1bnp n VAL 45 Cb 0.52 -1.52 -0.00 0.00 -1.06 0.00 0.00 33.84 31.78 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 0.05 1.53 -0.41 1.55 2.04 -1.48 -2.12 117.51 118.67 1bnp h ILE 46 Ca -0.39 -2.69 0.03 0.00 1.00 0.00 0.00 64.86 62.81 1bnp h ILE 46 Cb 2.03 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 40.57 1bnp h ILE 46 CO 0.08 0.78 0.21 0.00 0.00 0.00 0.00 178.15 179.22 1bnp h ALA 47 N 1.04 0.51 -0.33 1.87 0.00 -1.52 -0.62 119.26 120.20 1bnp h ALA 47 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 47 Cb 1.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1bnp h ALA 47 CO 0.13 -0.14 -0.33 -0.22 0.00 0.00 0.00 179.25 178.69 1bnp h LYS 48 N 0.43 0.72 -7.24 0.00 3.64 -1.67 -3.43 116.57 109.02 1bnp h LYS 48 Ca 0.17 -0.34 -0.52 0.00 -1.27 0.00 0.00 60.65 58.69 1bnp h LYS 48 Cb 0.07 -0.01 0.16 0.00 -0.41 0.00 0.00 32.23 32.04 1bnp h LYS 48 CO -0.11 0.95 0.32 -0.47 -2.27 0.00 0.00 179.45 177.86 1bnp s TYR 49 N -4.42 2.04 0.11 1.91 5.04 -0.24 -4.83 117.35 116.95 1bnp s TYR 49 Ca -0.09 1.66 0.23 0.00 -2.44 0.00 0.00 57.07 56.43 1bnp s TYR 49 Cb 0.12 -3.32 1.27 0.00 0.35 0.00 0.00 41.96 40.38 1bnp s TYR 49 CO 0.84 -2.45 1.68 -1.35 -1.34 0.00 0.00 175.55 172.93 1bnp h PRO 50 N -1.00 0.00 0.00 4.97 0.11 -1.83 -3.46 132.00 130.78 1bnp h PRO 50 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bnp h PRO 50 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1bnp h PRO 50 CO 0.47 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.87 1bnp n HIS 51 N -2.39 -0.24 -4.03 0.65 1.44 -1.22 -4.83 115.22 104.59 1bnp n HIS 51 Ca -0.02 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.25 1bnp n HIS 51 Cb 0.18 0.05 0.02 0.00 0.12 0.00 0.00 29.99 30.36 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 -0.38 -3.87 -1.40 2.85 -1.26 -4.95 118.16 109.15 1bnp n LYS 52 Ca 0.00 0.12 -0.21 0.00 -1.05 0.00 0.00 58.31 57.17 1bnp n LYS 52 Cb 0.00 -2.75 -0.02 0.00 -0.65 0.00 0.00 35.03 31.62 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 -3.53 5.20 -0.20 0.58 -4.36 -1.26 -4.78 121.20 112.85 1bnp s ILE 53 Ca 0.49 -0.91 -0.19 0.00 -0.26 0.00 0.00 60.65 59.77 1bnp s ILE 53 Cb -0.26 -3.85 -0.20 0.00 1.25 0.00 0.00 42.46 39.41 1bnp s ILE 53 CO 0.96 -0.36 0.22 0.29 0.24 0.00 0.00 174.94 176.29 1bnp n LYS 54 N -1.47 0.60 -0.41 0.37 5.02 -1.26 -4.75 118.16 116.25 1bnp n LYS 54 Ca -0.08 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1bnp n LYS 54 Cb 0.57 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1bnp n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1bnp n SER 55 N -4.27 0.00 -0.50 4.39 7.64 -1.26 -4.65 113.62 114.96 1bnp n SER 55 Ca -0.33 -0.72 0.07 0.00 1.01 0.00 0.00 58.87 58.90 1bnp n SER 55 Cb 0.75 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 64.15 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 5.09 0.09 0.23 0.00 -1.26 -4.65 105.19 109.69 1bnp n GLY 56 Ca 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.18 1.80 0.04 4.61 0.00 -1.26 -3.63 120.51 120.90 1bnp n ALA 57 Ca 0.19 -0.60 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1bnp n ALA 57 Cb 0.69 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.25 1bnp n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bnp h GLU 58 N 0.00 0.42 -0.18 0.00 5.08 -2.01 -2.98 114.58 114.91 1bnp h GLU 58 Ca -0.20 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.76 1bnp h GLU 58 Cb 1.71 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1bnp h GLU 58 CO 0.06 0.94 -0.25 0.00 -1.00 0.00 0.00 179.01 178.76 1bnp h ALA 59 N 0.98 0.27 -0.27 3.43 0.00 -1.89 -2.95 119.26 118.84 1bnp h ALA 59 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1bnp h ALA 59 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1bnp h ALA 59 CO 0.12 0.25 0.18 1.57 0.00 0.00 0.00 179.25 181.37 1bnp h LYS 60 N 0.13 0.17 -0.41 0.00 2.10 -1.62 -0.75 116.57 116.19 1bnp h LYS 60 Ca 0.02 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1bnp h LYS 60 Cb 0.82 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 1bnp h LYS 60 CO 0.06 0.11 0.18 -0.22 -2.00 0.00 0.00 179.45 177.59 1bnp h LYS 61 N 0.18 0.60 -6.06 0.07 3.64 -1.35 -3.40 116.57 110.24 1bnp h LYS 61 Ca 0.12 -0.10 -0.58 0.00 -1.27 0.00 0.00 60.65 58.82 1bnp h LYS 61 Cb 0.24 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1bnp h LYS 61 CO -0.02 0.54 1.44 -0.51 -2.27 0.00 0.00 179.45 178.63 1bnp s LEU 62 N -9.85 3.64 0.41 5.20 1.43 -0.29 -4.83 118.68 114.39 1bnp s LEU 62 Ca -0.13 2.04 0.13 0.00 -1.03 0.00 0.00 54.13 55.13 1bnp s LEU 62 Cb 0.10 -3.51 0.88 0.00 0.03 0.00 0.00 46.19 43.69 1bnp s LEU 62 CO 0.75 -1.78 1.93 1.55 0.23 0.00 0.00 176.35 179.03 1bnp h PRO 63 N 14.18 0.06 -0.08 1.29 0.13 -1.83 -2.33 132.00 143.42 1bnp h PRO 63 Ca -0.43 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1bnp h PRO 63 Cb 1.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1bnp h PRO 63 CO 0.96 0.28 -0.01 0.78 -0.23 0.00 0.00 178.00 179.77 1bnp h GLY 64 N 0.73 0.12 -4.80 1.56 0.00 -1.90 -3.41 103.07 95.37 1bnp h GLY 64 Ca 0.01 -0.05 -0.57 0.00 0.00 0.00 0.00 47.33 46.72 1bnp h GLY 64 CO 0.03 0.05 -0.04 0.14 0.00 0.00 0.00 176.54 176.72 1bnp s VAL 65 N -5.01 4.84 0.65 4.60 1.01 -0.88 -3.79 120.40 121.82 1bnp s VAL 65 Ca -0.05 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 1bnp s VAL 65 Cb 0.17 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1bnp s VAL 65 CO 0.69 0.49 1.04 -0.83 0.00 0.00 0.00 175.10 176.49 1bnp s GLY 66 N -0.64 1.63 0.18 4.51 0.00 -1.26 -4.88 107.32 106.86 1bnp s GLY 66 Ca 0.30 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 1bnp s GLY 66 CO 0.18 0.04 1.59 -0.84 0.00 0.00 0.00 173.10 174.07 1bnp h THR 67 N -0.44 1.27 -0.22 0.90 2.02 -1.94 -1.11 112.91 113.37 1bnp h THR 67 Ca -0.45 -1.32 -0.08 0.00 0.77 0.00 0.00 66.41 65.33 1bnp h THR 67 Cb 1.23 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1bnp h THR 67 CO 0.63 0.46 -0.21 0.50 0.37 0.00 0.00 175.52 177.26 1bnp h LYS 68 N 0.83 0.40 0.00 6.66 3.11 -2.03 -2.28 116.57 123.26 1bnp h LYS 68 Ca 0.12 -0.13 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1bnp h LYS 68 Cb 0.73 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 1bnp h LYS 68 CO 0.06 0.60 -0.24 0.82 -2.81 0.00 0.00 179.45 177.88 1bnp h ILE 69 N 0.36 0.44 -0.28 2.00 2.04 -1.86 -3.17 117.51 117.04 1bnp h ILE 69 Ca 0.06 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.49 1bnp h ILE 69 Cb 0.58 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1bnp h ILE 69 CO 0.04 0.23 0.18 0.00 0.00 0.00 0.00 178.15 178.61 1bnp h ALA 70 N 1.76 1.87 -0.59 1.87 0.00 -0.59 -0.57 119.26 123.02 1bnp h ALA 70 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1bnp h ALA 70 Cb 1.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1bnp h ALA 70 CO 0.03 0.10 0.21 0.93 0.00 0.00 0.00 179.25 180.52 1bnp h GLU 71 N 0.31 0.87 -0.15 0.00 5.08 -1.61 -1.60 114.58 117.48 1bnp h GLU 71 Ca 0.11 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1bnp h GLU 71 Cb 0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bnp h GLU 71 CO -0.02 0.73 -0.36 0.87 -1.00 0.00 0.00 179.01 179.23 1bnp h LYS 72 N 0.85 0.31 -0.20 2.33 1.57 -1.28 -2.34 116.57 117.81 1bnp h LYS 72 Ca 0.20 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1bnp h LYS 72 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1bnp h LYS 72 CO -0.01 0.63 0.11 0.82 -0.57 0.00 0.00 179.45 180.42 1bnp h ILE 73 N 0.27 1.07 0.00 1.86 1.08 -0.87 -0.10 117.51 120.82 1bnp h ILE 73 Ca 0.03 -0.18 -0.11 0.00 -0.39 0.00 0.00 64.86 64.21 1bnp h ILE 73 Cb 0.76 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1bnp h ILE 73 CO 0.06 0.07 -0.59 -0.78 -0.69 0.00 0.00 178.15 176.23 1bnp h ASP 74 N 0.27 0.00 -0.63 1.72 1.82 -1.22 -2.86 116.42 115.52 1bnp h ASP 74 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1bnp h ASP 74 Cb 0.02 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1bnp h ASP 74 CO -0.01 0.52 0.41 -0.08 -1.61 0.00 0.00 179.24 178.47 1bnp h GLU 75 N 0.00 0.80 0.12 0.28 4.81 -0.55 0.87 114.58 120.91 1bnp h GLU 75 Ca -0.02 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.88 1bnp h GLU 75 Cb 1.41 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1bnp h GLU 75 CO 0.07 0.53 -1.38 0.74 -0.73 0.00 0.00 179.01 178.24 1bnp h PHE 76 N 0.83 0.46 -0.35 0.92 0.04 -1.61 -3.27 116.94 113.96 1bnp h PHE 76 Ca 0.24 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1bnp h PHE 76 Cb -0.06 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1bnp h PHE 76 CO -0.04 1.32 0.00 1.28 -0.60 0.00 0.00 178.31 180.27 1bnp n LEU 77 N -3.48 2.95 0.00 1.54 7.99 -1.05 -4.29 117.00 120.67 1bnp n LEU 77 Ca -0.12 -1.49 0.00 0.00 -0.01 0.00 0.00 56.01 54.39 1bnp n LEU 77 Cb 1.03 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1bnp n LEU 77 CO 0.52 0.48 0.00 0.00 -1.51 0.00 0.00 177.39 176.89 1bnp n ALA 78 N 0.47 0.00 -2.75 -1.18 0.00 0.30 -4.71 120.51 112.64 1bnp n ALA 78 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1bnp n ALA 78 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 1bnp n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bnp n THR 79 N -1.85 0.00 0.26 0.00 -1.04 -1.26 -4.99 114.28 105.40 1bnp n THR 79 Ca 0.00 -1.23 0.17 0.00 -2.04 0.00 0.00 64.05 60.95 1bnp n THR 79 Cb 0.00 1.24 0.89 0.00 -1.82 0.00 0.00 70.33 70.64 1bnp n THR 79 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bnp h GLY 80 N 4.50 0.00 -1.82 3.41 0.00 -1.84 -3.42 103.07 103.89 1bnp h GLY 80 Ca -0.04 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.74 1bnp h GLY 80 CO 0.16 0.00 -0.43 0.54 0.00 0.00 0.00 176.54 176.81 1bnp s LYS 81 N -4.58 2.33 0.36 4.80 3.01 -1.26 -5.14 119.74 119.25 1bnp s LYS 81 Ca -0.05 -1.78 0.00 0.00 -1.01 0.00 0.00 55.97 53.13 1bnp s LYS 81 Cb 0.15 -2.12 0.07 0.00 -1.01 0.00 0.00 37.83 34.92 1bnp s LYS 81 CO 0.53 -0.23 0.49 1.28 0.51 0.00 0.00 175.35 177.93 1bnp n LEU 82 N -1.42 0.00 -0.06 3.17 4.77 -1.26 -5.06 117.00 117.14 1bnp n LEU 82 Ca -0.00 -1.06 -0.02 0.00 -0.03 0.00 0.00 56.01 54.90 1bnp n LEU 82 Cb 0.64 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1bnp n LEU 82 CO 0.44 -0.73 -0.07 0.03 -1.33 0.00 0.00 177.39 175.72 1bnp h ARG 83 N 0.00 0.00 -6.89 3.23 -0.00 -2.01 -3.48 114.38 105.23 1bnp h ARG 83 Ca -0.16 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 58.83 1bnp h ARG 83 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 29.97 30.63 1bnp h ARG 83 CO 0.18 0.08 0.02 0.21 0.00 0.00 0.00 179.97 180.45 1bnp s LYS 84 N -1.77 1.89 0.60 0.04 2.20 -1.26 -4.99 119.74 116.45 1bnp s LYS 84 Ca -0.05 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1bnp s LYS 84 Cb 0.00 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1bnp s LYS 84 CO 0.10 -1.25 0.00 1.28 -0.36 0.00 0.00 175.35 175.13 1bnp n LEU 85 N -2.59 -1.00 -3.99 5.43 4.77 -1.26 -5.03 117.00 113.33 1bnp n LEU 85 Ca 0.17 2.34 -0.10 0.00 -0.03 0.00 0.00 56.01 58.39 1bnp n LEU 85 Cb 0.61 -2.99 -0.08 0.00 -2.33 0.00 0.00 43.42 38.63 1bnp n LEU 85 CO 0.41 -2.09 -0.08 -1.61 -1.33 0.00 0.00 177.39 172.69 1bnp s GLU 86 N -4.24 1.10 0.00 3.23 2.02 -1.26 -4.86 118.70 114.69 1bnp s GLU 86 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 53.81 1bnp s GLU 86 Cb 0.00 0.35 0.25 0.00 0.10 0.00 0.00 34.13 34.83 1bnp s GLU 86 CO 0.00 -0.38 0.73 0.36 0.02 0.00 0.00 175.26 175.99