#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 h SER 2 N 0.00 0.00 -2.95 4.31 0.02 -2.11 -3.45 113.55 109.37 2f05 h SER 2 Ca 0.00 -0.10 -0.62 0.00 -0.84 0.00 0.00 61.79 60.22 2f05 h SER 2 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2f05 h SER 2 CO 0.00 0.05 -0.29 -1.81 -1.14 0.00 0.00 176.83 173.64 2f05 s ASP 3 N -4.85 6.65 -0.93 3.07 1.11 -1.26 -4.98 116.67 115.48 2f05 s ASP 3 Ca 0.05 0.77 -0.07 0.00 0.18 0.00 0.00 52.55 53.48 2f05 s ASP 3 Cb 0.11 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.86 2f05 s ASP 3 CO 0.73 0.31 2.94 -1.20 1.18 0.00 0.00 175.17 179.13 2f05 n SER 4 N 2.11 7.30 -0.00 0.27 7.64 -1.26 -4.59 113.62 125.09 2f05 n SER 4 Ca -0.15 -2.82 -0.11 0.00 1.01 0.00 0.00 58.87 56.80 2f05 n SER 4 Cb 0.53 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.26 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2f05 h VAL 5 N 2.46 1.09 -0.86 0.44 2.07 -1.95 0.30 116.25 119.80 2f05 h VAL 5 Ca 0.58 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.92 2f05 h VAL 5 Cb 0.67 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2f05 h VAL 5 CO 1.16 0.08 0.56 -0.33 0.02 0.00 0.00 177.57 179.06 2f05 h GLU 6 N 0.04 0.91 -0.00 1.57 4.39 -1.99 0.11 114.58 119.61 2f05 h GLU 6 Ca 0.03 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2f05 h GLU 6 Cb 0.08 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2f05 h GLU 6 CO -0.00 0.60 -0.13 0.35 -1.16 0.00 0.00 179.01 178.67 2f05 h PHE 7 N 0.94 0.13 -0.76 4.33 3.57 -1.80 -1.90 116.94 121.45 2f05 h PHE 7 Ca 0.38 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.85 2f05 h PHE 7 Cb 0.26 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2f05 h PHE 7 CO -0.00 0.85 0.47 -0.91 -2.23 0.00 0.00 178.31 176.49 2f05 h ASN 8 N -0.62 0.75 -0.63 0.41 2.35 0.07 0.39 115.58 118.30 2f05 h ASN 8 Ca -0.02 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2f05 h ASN 8 Cb 0.89 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2f05 h ASN 8 CO 0.03 0.50 0.26 0.78 -1.65 0.00 0.00 177.43 177.35 2f05 h ASN 9 N 0.89 0.87 -0.54 5.81 2.35 -0.85 0.53 115.58 124.64 2f05 h ASN 9 Ca 0.32 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2f05 h ASN 9 Cb 0.09 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2f05 h ASN 9 CO -0.14 0.79 0.34 0.00 -1.65 0.00 0.00 177.43 176.77 2f05 h ALA 10 N 1.11 0.69 -0.64 -0.83 0.00 -0.33 -1.90 119.26 117.35 2f05 h ALA 10 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f05 h ALA 10 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2f05 h ALA 10 CO -0.02 0.07 0.34 0.82 0.00 0.00 0.00 179.25 180.46 2f05 h ILE 11 N 0.67 1.21 -0.61 0.00 1.08 0.22 0.39 117.51 120.47 2f05 h ILE 11 Ca 0.21 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2f05 h ILE 11 Cb -0.02 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 2f05 h ILE 11 CO -0.08 0.23 0.36 0.28 -0.69 0.00 0.00 178.15 178.25 2f05 h SER 12 N 0.88 0.72 -0.07 1.72 0.02 -0.46 0.69 113.55 117.05 2f05 h SER 12 Ca 0.23 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2f05 h SER 12 Cb 0.06 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2f05 h SER 12 CO -0.03 0.56 -0.09 0.22 -1.14 0.00 0.00 176.83 176.35 2f05 h TYR 13 N 0.83 0.22 -0.53 3.45 3.20 -0.72 -2.96 116.97 120.46 2f05 h TYR 13 Ca 0.22 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2f05 h TYR 13 Cb -0.02 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2f05 h TYR 13 CO 0.00 0.65 0.19 0.28 -1.64 0.00 0.00 178.16 177.65 2f05 h VAL 14 N -0.28 1.23 -0.84 1.81 2.07 -0.17 -2.52 116.25 117.55 2f05 h VAL 14 Ca 0.01 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.90 2f05 h VAL 14 Cb 0.63 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2f05 h VAL 14 CO 0.02 0.28 0.54 -1.13 0.02 0.00 0.00 177.57 177.30 2f05 h ASN 15 N 0.73 0.71 -0.54 0.57 -0.73 0.30 0.27 115.58 116.89 2f05 h ASN 15 Ca 0.18 0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.30 2f05 h ASN 15 Cb 0.24 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2f05 h ASN 15 CO -0.01 0.42 0.08 0.50 -0.37 0.00 0.00 177.43 178.04 2f05 h LYS 16 N 0.78 0.90 -0.36 6.67 3.64 -1.28 -0.85 116.57 126.08 2f05 h LYS 16 Ca 0.39 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2f05 h LYS 16 Cb 0.46 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2f05 h LYS 16 CO -0.16 0.88 0.15 0.82 -2.27 0.00 0.00 179.45 178.87 2f05 h ILE 17 N 0.78 1.18 -0.80 2.00 2.04 -0.76 0.10 117.51 122.06 2f05 h ILE 17 Ca 0.16 -0.55 0.13 0.00 1.00 0.00 0.00 64.86 65.60 2f05 h ILE 17 Cb 0.42 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2f05 h ILE 17 CO 0.01 0.20 0.39 0.11 0.00 0.00 0.00 178.15 178.86 2f05 h LYS 18 N 0.43 0.57 -0.05 2.37 1.57 -0.15 0.09 116.57 121.40 2f05 h LYS 18 Ca 0.12 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2f05 h LYS 18 Cb 0.17 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.36 2f05 h LYS 18 CO -0.01 0.38 -0.42 1.15 -0.57 0.00 0.00 179.45 179.98 2f05 h THR 19 N 0.59 1.43 0.00 -0.16 2.02 -0.87 -1.48 112.91 114.44 2f05 h THR 19 Ca 0.42 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 2f05 h THR 19 Cb 0.57 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2f05 h THR 19 CO -0.35 0.54 -0.00 0.03 0.37 0.00 0.00 175.52 176.11 2f05 h ARG 20 N -0.13 0.00 -0.34 6.66 2.47 -0.25 -2.64 114.38 120.15 2f05 h ARG 20 Ca -0.04 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.41 2f05 h ARG 20 Cb 1.10 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.12 2f05 h ARG 20 CO 0.09 0.00 -0.85 1.19 0.56 0.00 0.00 179.97 180.97 2f05 n PHE 21 N -3.10 1.18 -0.30 3.04 3.72 -0.03 -4.82 117.46 117.15 2f05 n PHE 21 Ca 0.02 -1.70 -0.06 0.00 -0.05 0.00 0.00 57.45 55.67 2f05 n PHE 21 Cb 0.41 -0.26 0.07 0.00 -0.94 0.00 0.00 39.48 38.76 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2f05 h LEU 22 N 1.75 1.11 -1.87 4.37 6.46 -0.88 -0.49 115.31 125.76 2f05 h LEU 22 Ca 0.05 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2f05 h LEU 22 Cb 1.40 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2f05 h LEU 22 CO 0.31 0.97 0.00 -0.67 -0.62 0.00 0.00 178.44 178.43 2f05 n ASP 23 N -4.28 2.79 -3.46 1.25 2.03 -1.26 -4.51 116.55 109.11 2f05 n ASP 23 Ca 0.07 -1.90 -0.27 0.00 0.52 0.00 0.00 54.79 53.22 2f05 n ASP 23 Cb 0.18 -0.22 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f05 n HIS 24 N 1.05 2.31 0.24 -0.67 8.25 -0.19 -4.92 115.22 121.28 2f05 n HIS 24 Ca 0.18 -3.98 0.08 0.00 -0.26 0.00 0.00 57.72 53.73 2f05 n HIS 24 Cb 0.49 -0.46 0.58 0.00 1.12 0.00 0.00 29.99 31.73 2f05 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2f05 h PRO 25 N 4.48 0.00 -0.70 -0.41 0.11 -1.79 -2.39 132.00 131.29 2f05 h PRO 25 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2f05 h PRO 25 Cb 0.75 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 2f05 h PRO 25 CO 0.69 0.16 0.38 1.05 -0.21 0.00 0.00 178.00 180.07 2f05 h GLU 26 N 0.00 0.97 -0.15 1.05 4.11 -1.91 0.84 114.58 119.50 2f05 h GLU 26 Ca -0.00 -0.11 -0.12 0.00 0.07 0.00 0.00 59.36 59.20 2f05 h GLU 26 Cb 0.32 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2f05 h GLU 26 CO 0.02 0.72 -0.38 0.82 0.07 0.00 0.00 179.01 180.26 2f05 h ILE 27 N 0.98 1.36 -0.24 -1.06 2.04 -1.78 0.16 117.51 118.96 2f05 h ILE 27 Ca 0.25 -1.65 0.04 0.00 1.00 0.00 0.00 64.86 64.50 2f05 h ILE 27 Cb 0.04 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2f05 h ILE 27 CO -0.04 0.50 0.01 0.22 0.00 0.00 0.00 178.15 178.84 2f05 h TYR 28 N 0.14 -0.00 -0.26 1.37 3.20 -1.37 -0.53 116.97 119.52 2f05 h TYR 28 Ca -0.00 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 2f05 h TYR 28 Cb 0.99 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2f05 h TYR 28 CO 0.10 -0.03 -0.35 0.00 -1.64 0.00 0.00 178.16 176.24 2f05 h ARG 29 N 0.08 0.56 0.00 1.82 3.08 -0.73 -1.87 114.38 117.33 2f05 h ARG 29 Ca 0.11 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 2f05 h ARG 29 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2f05 h ARG 29 CO -0.19 0.83 -0.44 0.77 -1.07 0.00 0.00 179.97 179.88 2f05 h SER 30 N 0.47 0.00 -0.00 7.04 0.02 -0.17 0.16 113.55 121.06 2f05 h SER 30 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2f05 h SER 30 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 2f05 h SER 30 CO 0.07 0.44 -0.00 0.15 -1.14 0.00 0.00 176.83 176.35 2f05 h PHE 31 N 0.00 0.01 -0.86 3.45 3.57 -0.77 -2.74 116.94 119.60 2f05 h PHE 31 Ca -0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2f05 h PHE 31 Cb 0.80 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 2f05 h PHE 31 CO 0.00 0.45 0.56 -0.07 -2.23 0.00 0.00 178.31 177.02 2f05 h LEU 32 N -0.43 0.69 -1.06 0.59 3.38 -1.11 0.19 115.31 117.56 2f05 h LEU 32 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2f05 h LEU 32 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2f05 h LEU 32 CO 0.00 0.39 -0.28 1.05 0.09 0.00 0.00 178.44 179.69 2f05 h GLU 33 N 0.75 0.33 -0.29 1.13 4.11 -0.90 0.11 114.58 119.82 2f05 h GLU 33 Ca 0.41 -0.12 -0.16 0.00 0.07 0.00 0.00 59.36 59.56 2f05 h GLU 33 Cb 0.56 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2f05 h GLU 33 CO -0.18 0.58 -0.45 0.82 0.07 0.00 0.00 179.01 179.85 2f05 h ILE 34 N 0.29 1.29 -0.41 -1.06 2.04 -0.72 -0.97 117.51 117.97 2f05 h ILE 34 Ca 0.04 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 2f05 h ILE 34 Cb 0.65 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2f05 h ILE 34 CO 0.05 0.53 -0.08 0.25 0.00 0.00 0.00 178.15 178.90 2f05 h LEU 35 N 0.58 0.77 -0.70 1.44 7.12 -0.67 0.27 115.31 124.11 2f05 h LEU 35 Ca 0.02 -0.35 0.02 0.00 0.13 0.00 0.00 57.88 57.70 2f05 h LEU 35 Cb 1.05 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.93 2f05 h LEU 35 CO 0.10 0.94 0.45 0.45 -0.13 0.00 0.00 178.44 180.26 2f05 h HIS 36 N 0.58 0.85 -0.29 1.25 3.86 -0.73 -1.76 115.15 118.91 2f05 h HIS 36 Ca 0.11 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2f05 h HIS 36 Cb 0.59 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2f05 h HIS 36 CO 0.05 0.51 0.10 1.15 0.86 0.00 0.00 177.93 180.60 2f05 h THR 37 N 0.90 0.92 -0.13 2.45 2.02 -0.78 -2.92 112.91 115.37 2f05 h THR 37 Ca 0.27 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 2f05 h THR 37 Cb -0.03 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2f05 h THR 37 CO -0.09 0.04 0.06 0.22 0.37 0.00 0.00 175.52 176.12 2f05 h TYR 38 N 0.23 0.17 0.00 3.16 3.20 0.31 -1.50 116.97 122.54 2f05 h TYR 38 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2f05 h TYR 38 Cb 0.10 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2f05 h TYR 38 CO -0.13 0.14 -0.03 1.96 -1.64 0.00 0.00 178.16 178.45 2f05 h GLN 39 N 0.18 0.00 -0.01 1.82 1.08 -1.14 -0.60 115.11 116.44 2f05 h GLN 39 Ca 0.05 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2f05 h GLN 39 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2f05 h GLN 39 CO -0.01 0.03 -0.46 0.87 -0.95 0.00 0.00 178.83 178.31 2f05 h LYS 40 N 0.00 0.02 0.00 1.46 6.56 -1.39 -2.30 116.57 120.92 2f05 h LYS 40 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2f05 h LYS 40 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2f05 h LYS 40 CO 0.00 0.48 0.00 1.49 -2.06 0.00 0.00 179.45 179.36 2f05 h GLU 41 N 0.02 0.00 0.00 3.15 4.22 -1.24 -2.94 114.58 117.79 2f05 h GLU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2f05 h GLU 41 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2f05 h GLU 41 CO 0.06 0.00 -0.17 1.04 -2.18 0.00 0.00 179.01 177.76 2f05 n GLN 42 N -2.80 0.20 0.00 1.92 1.13 -0.87 -4.53 117.38 112.42 2f05 n GLN 42 Ca 0.04 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2f05 n GLN 42 Cb 0.43 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2f05 n GLN 42 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2f05 n LEU 43 N -2.03 0.00 0.00 1.08 7.99 -1.11 -4.90 117.00 118.03 2f05 n LEU 43 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 2f05 n LEU 43 Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2f05 n LEU 43 CO 0.31 -1.20 0.00 1.57 -1.51 0.00 0.00 177.39 176.56 2f05 n HIS 44 N -1.45 0.00 -3.82 -1.77 -0.00 -1.26 -4.96 115.22 101.96 2f05 n HIS 44 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2f05 n HIS 44 Cb 0.00 -0.47 -0.15 0.00 -0.12 0.00 0.00 29.99 29.25 2f05 n HIS 44 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2f05 s THR 45 N -2.59 1.32 0.00 3.57 -4.23 -1.26 -5.09 115.64 107.35 2f05 s THR 45 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2f05 s THR 45 Cb 0.00 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.85 2f05 s THR 45 CO 0.00 -0.66 0.00 0.29 -0.54 0.00 0.00 174.62 173.71 2f05 n LYS 46 N 4.62 0.00 -2.41 3.99 5.02 -1.26 -4.00 118.16 124.12 2f05 n LYS 46 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2f05 n LYS 46 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.40 2f05 n LYS 46 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2f05 s GLY 47 N -2.71 0.79 -0.03 0.72 0.00 -1.26 -4.97 107.32 99.85 2f05 s GLY 47 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2f05 s GLY 47 CO 0.00 2.83 -0.16 -1.60 0.00 0.00 0.00 173.10 174.17 2f05 s ARG 48 N 5.81 1.51 0.21 2.90 6.06 -1.26 -5.11 118.95 129.08 2f05 s ARG 48 Ca 0.48 -0.56 -0.31 0.00 -2.50 0.00 0.00 55.73 52.84 2f05 s ARG 48 Cb -0.10 -1.37 -0.10 0.00 0.06 0.00 0.00 34.95 33.44 2f05 s ARG 48 CO 0.20 0.26 1.49 -1.25 -2.50 0.00 0.00 175.30 173.50 2f05 s PRO 49 N -0.07 4.25 -0.31 5.12 0.04 -1.26 -4.93 135.00 137.83 2f05 s PRO 49 Ca -0.00 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 2f05 s PRO 49 Cb -0.09 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2f05 s PRO 49 CO 0.01 -0.50 1.41 0.12 0.04 0.00 0.00 177.00 178.08 2f05 s PHE 50 N 0.54 2.47 -0.23 0.56 5.36 -1.26 -3.80 117.98 121.61 2f05 s PHE 50 Ca 0.64 0.74 -0.06 0.00 -0.96 0.00 0.00 56.93 57.30 2f05 s PHE 50 Cb -0.42 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.23 2f05 s PHE 50 CO 0.37 -2.07 0.21 -2.13 -1.46 0.00 0.00 175.22 170.15 2f05 n ARG 51 N 7.62 -1.75 0.00 10.12 3.00 -1.26 -5.07 116.66 129.31 2f05 n ARG 51 Ca 0.16 1.67 0.00 0.00 -0.00 0.00 0.00 57.85 59.68 2f05 n ARG 51 Cb 0.47 -3.91 0.00 0.00 0.00 0.00 0.00 32.46 29.02 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2f05 n GLY 52 N -0.04 0.56 3.61 5.14 0.00 -1.25 -4.84 105.19 108.38 2f05 n GLY 52 Ca 0.04 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2f05 n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f05 s MET 53 N 0.00 3.55 0.43 1.61 -2.45 -1.26 -4.94 119.30 116.24 2f05 s MET 53 Ca 0.00 1.46 -0.20 0.00 -1.25 0.00 0.00 55.69 55.70 2f05 s MET 53 Cb 0.00 -4.11 -0.11 0.00 1.25 0.00 0.00 34.83 31.86 2f05 s MET 53 CO 0.00 -1.59 0.94 -1.12 1.05 0.00 0.00 175.02 174.29 2f05 s SER 54 N 5.08 6.89 0.27 1.11 0.01 -1.26 -4.74 113.70 121.06 2f05 s SER 54 Ca 0.74 1.65 -0.05 0.00 1.31 0.00 0.00 55.95 59.60 2f05 s SER 54 Cb -0.22 -2.52 0.52 0.00 0.21 0.00 0.00 66.02 64.00 2f05 s SER 54 CO 0.32 -0.37 1.60 -0.08 0.41 0.00 0.00 173.24 175.12 2f05 h GLU 55 N 1.83 0.05 -0.59 12.44 4.81 -1.97 0.23 114.58 131.37 2f05 h GLU 55 Ca -0.49 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 2f05 h GLU 55 Cb 1.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2f05 h GLU 55 CO 0.61 0.03 -0.03 1.49 -0.73 0.00 0.00 179.01 180.38 2f05 h GLU 56 N 0.05 1.07 0.00 1.92 4.81 -1.99 0.27 114.58 120.71 2f05 h GLU 56 Ca 0.47 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2f05 h GLU 56 Cb 0.85 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2f05 h GLU 56 CO -0.80 1.06 -0.43 1.05 -0.73 0.00 0.00 179.01 179.15 2f05 h GLU 57 N 0.96 0.00 0.25 1.92 4.11 -1.24 -2.79 114.58 117.79 2f05 h GLU 57 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 2f05 h GLU 57 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2f05 h GLU 57 CO 0.04 0.43 -0.12 0.28 0.07 0.00 0.00 179.01 179.71 2f05 h VAL 58 N 0.00 0.78 -0.28 -1.06 2.07 -0.15 -3.26 116.25 114.35 2f05 h VAL 58 Ca -0.00 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2f05 h VAL 58 Cb 1.18 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2f05 h VAL 58 CO 0.06 0.14 0.19 0.15 0.02 0.00 0.00 177.57 178.12 2f05 h PHE 59 N -0.72 0.22 -0.28 1.57 3.57 -0.38 -0.39 116.94 120.53 2f05 h PHE 59 Ca -0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2f05 h PHE 59 Cb 0.49 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2f05 h PHE 59 CO 0.03 0.13 0.02 1.15 -2.23 0.00 0.00 178.31 177.41 2f05 h THR 60 N 0.22 0.82 0.00 4.41 2.02 -1.54 0.27 112.91 119.11 2f05 h THR 60 Ca 0.12 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 2f05 h THR 60 Cb 0.19 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2f05 h THR 60 CO -0.02 0.02 -0.69 -0.33 0.37 0.00 0.00 175.52 174.87 2f05 h GLU 61 N 0.11 0.00 -0.22 6.66 5.08 -1.17 0.38 114.58 125.43 2f05 h GLU 61 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 2f05 h GLU 61 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2f05 h GLU 61 CO -0.21 0.69 -0.61 0.28 -1.00 0.00 0.00 179.01 178.16 2f05 h VAL 62 N 0.00 1.29 -0.25 3.13 2.07 -1.10 0.78 116.25 122.17 2f05 h VAL 62 Ca -0.01 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.61 2f05 h VAL 62 Cb 1.30 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2f05 h VAL 62 CO 0.09 0.58 -0.26 0.00 0.02 0.00 0.00 177.57 178.00 2f05 h ALA 63 N 0.61 1.10 0.00 1.67 0.00 -0.26 -0.67 119.26 121.71 2f05 h ALA 63 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2f05 h ALA 63 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2f05 h ALA 63 CO 0.13 0.56 -0.41 -0.97 0.00 0.00 0.00 179.25 178.56 2f05 h ASN 64 N 0.42 0.00 -0.01 0.00 -1.24 -0.79 -1.11 115.58 112.85 2f05 h ASN 64 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2f05 h ASN 64 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 2f05 h ASN 64 CO 0.05 0.41 -0.07 0.25 -1.29 0.00 0.00 177.43 176.78 2f05 h LEU 65 N 0.00 0.07 -4.54 0.34 7.12 -0.14 -3.32 115.31 114.85 2f05 h LEU 65 Ca -0.00 -0.72 -0.69 0.00 0.13 0.00 0.00 57.88 56.60 2f05 h LEU 65 Cb 0.75 -0.02 -0.33 0.00 -0.53 0.00 0.00 40.66 40.54 2f05 h LEU 65 CO 0.05 0.78 0.41 0.49 -0.13 0.00 0.00 178.44 180.05 2f05 n PHE 66 N -4.68 3.11 -1.66 1.25 3.72 -0.32 -5.02 117.46 113.86 2f05 n PHE 66 Ca -0.09 -2.65 -0.43 0.00 -0.05 0.00 0.00 57.45 54.23 2f05 n PHE 66 Cb 0.39 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 38.00 2f05 n PHE 66 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f05 n ARG 67 N -0.62 2.75 0.00 -1.08 1.74 -0.43 -0.70 116.66 118.31 2f05 n ARG 67 Ca 0.51 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.60 2f05 n ARG 67 Cb 0.50 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f05 n GLY 68 N 4.56 3.31 3.01 -0.13 0.00 -1.26 -4.94 105.19 109.74 2f05 n GLY 68 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2f05 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 69 N -1.65 3.75 0.28 1.61 1.13 0.12 -4.72 117.38 117.89 2f05 n GLN 69 Ca 0.00 -3.83 0.15 0.00 -1.94 0.00 0.00 57.00 51.38 2f05 n GLN 69 Cb 0.00 -2.84 0.80 0.00 0.11 0.00 0.00 30.24 28.31 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f05 h GLU 70 N 5.95 0.00 -0.44 -1.09 5.08 -1.93 -1.57 114.58 120.58 2f05 h GLU 70 Ca 0.33 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 2f05 h GLU 70 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2f05 h GLU 70 CO 1.48 0.08 0.16 0.22 -1.00 0.00 0.00 179.01 179.95 2f05 h ASP 71 N 0.00 0.16 0.38 1.42 3.58 -1.95 0.16 116.42 120.18 2f05 h ASP 71 Ca -0.00 0.05 -0.18 0.00 0.42 0.00 0.00 57.03 57.32 2f05 h ASP 71 Cb 0.31 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2f05 h ASP 71 CO 0.01 0.13 -0.77 -0.07 -2.88 0.00 0.00 179.24 175.66 2f05 h LEU 72 N 0.33 0.38 -0.80 2.28 3.38 -1.68 -2.77 115.31 116.43 2f05 h LEU 72 Ca 0.21 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2f05 h LEU 72 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2f05 h LEU 72 CO -0.21 1.01 -0.58 -0.07 0.09 0.00 0.00 178.44 178.68 2f05 h LEU 73 N 0.20 0.08 -0.09 1.67 3.38 -0.85 -0.54 115.31 119.16 2f05 h LEU 73 Ca -0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2f05 h LEU 73 Cb 1.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2f05 h LEU 73 CO 0.13 0.64 -0.23 -1.28 0.09 0.00 0.00 178.44 177.79 2f05 h SER 74 N 0.05 0.36 0.72 -0.43 0.87 -0.67 -3.22 113.55 111.24 2f05 h SER 74 Ca -0.00 -0.58 -0.06 0.00 -1.23 0.00 0.00 61.79 59.91 2f05 h SER 74 Cb 1.04 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2f05 h SER 74 CO 0.08 0.88 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.64 2f05 h GLU 75 N -0.14 0.00 -0.72 2.24 5.08 -1.24 -2.87 114.58 116.93 2f05 h GLU 75 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2f05 h GLU 75 Cb 0.83 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2f05 h GLU 75 CO 0.05 0.29 0.41 0.35 -1.00 0.00 0.00 179.01 179.11 2f05 h PHE 76 N 0.00 0.76 0.00 4.33 3.57 -1.11 0.11 116.94 124.59 2f05 h PHE 76 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 76 Cb 0.73 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2f05 h PHE 76 CO 0.00 0.36 -0.24 0.78 -2.23 0.00 0.00 178.31 176.98 2f05 h GLY 77 N 0.75 0.00 1.31 2.40 0.00 -1.58 -0.36 103.07 105.59 2f05 h GLY 77 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.32 2f05 h GLY 77 CO -0.18 0.00 -1.46 -1.61 0.00 0.00 0.00 176.54 173.29 2f05 h GLN 78 N 0.00 0.52 -0.26 4.80 -0.00 -1.29 -3.16 115.11 115.72 2f05 h GLN 78 Ca -0.00 -0.88 -0.10 0.00 -0.00 0.00 0.00 58.65 57.67 2f05 h GLN 78 Cb 0.49 0.33 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 2f05 h GLN 78 CO 0.03 1.42 -0.25 0.35 0.00 0.00 0.00 178.83 180.38 2f05 h PHE 79 N 0.14 0.57 -4.14 3.99 3.57 -0.49 -3.39 116.94 117.19 2f05 h PHE 79 Ca -0.24 -0.12 -0.49 0.00 3.53 0.00 0.00 57.97 60.64 2f05 h PHE 79 Cb 2.15 -0.14 0.14 0.00 2.79 0.00 0.00 35.95 40.90 2f05 h PHE 79 CO 0.12 0.72 0.27 -0.51 -2.23 0.00 0.00 178.31 176.68 2f05 s LEU 80 N -8.68 2.45 0.00 0.59 1.43 -0.18 -4.90 118.68 109.40 2f05 s LEU 80 Ca -0.07 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2f05 s LEU 80 Cb 0.14 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2f05 s LEU 80 CO 0.79 -2.47 0.73 -0.81 0.23 0.00 0.00 176.35 174.82 2f05 n PRO 81 N -3.78 0.00 -0.17 1.29 -0.04 -1.26 -2.47 135.00 128.57 2f05 n PRO 81 Ca 0.07 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2f05 n PRO 81 Cb 0.55 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 32.49 2f05 n PRO 81 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2f05 h GLU 82 N 0.00 0.67 0.00 0.54 4.39 -1.89 0.33 114.58 118.62 2f05 h GLU 82 Ca 0.00 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 2f05 h GLU 82 Cb 0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2f05 h GLU 82 CO 0.00 0.47 -0.41 0.00 -1.16 0.00 0.00 179.01 177.91 2f05 h ALA 83 N 1.16 0.94 0.03 3.43 0.00 -1.44 -3.00 119.26 120.37 2f05 h ALA 83 Ca 0.18 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 2f05 h ALA 83 Cb -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2f05 h ALA 83 CO -0.04 0.52 -0.99 0.87 0.00 0.00 0.00 179.25 179.61 2f05 h LYS 84 N 0.00 0.30 -0.03 0.00 1.79 -1.54 -3.52 116.57 113.57 2f05 h LYS 84 Ca -0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2f05 h LYS 84 Cb 0.99 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2f05 h LYS 84 CO 0.05 1.08 0.00 -2.13 -1.08 0.00 0.00 179.45 177.38