#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 n SER 2 N 0.00 0.97 -4.53 -1.84 7.64 -1.26 -4.96 113.62 109.64 2f05 n SER 2 Ca 0.00 -0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.21 2f05 n SER 2 Cb 0.00 1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 64.53 2f05 n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2f05 s ASP 3 N -3.32 4.05 -0.66 6.43 2.15 -1.26 -5.08 116.67 118.98 2f05 s ASP 3 Ca -0.01 -0.60 -0.02 0.00 0.43 0.00 0.00 52.55 52.35 2f05 s ASP 3 Cb 0.12 -0.62 0.17 0.00 -0.30 0.00 0.00 42.92 42.29 2f05 s ASP 3 CO 0.69 0.13 0.48 -0.44 -0.17 0.00 0.00 175.17 175.85 2f05 s SER 4 N -2.60 5.25 0.09 -0.34 0.01 -1.26 -4.98 113.70 109.87 2f05 s SER 4 Ca 0.22 -3.02 -0.32 0.00 1.31 0.00 0.00 55.95 54.14 2f05 s SER 4 Cb -0.09 -1.84 -0.15 0.00 0.21 0.00 0.00 66.02 64.15 2f05 s SER 4 CO 0.13 -0.32 1.61 0.58 0.41 0.00 0.00 173.24 175.64 2f05 h VAL 5 N 5.09 0.25 -0.11 3.43 2.07 -1.99 0.90 116.25 125.89 2f05 h VAL 5 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 2f05 h VAL 5 Cb 0.92 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2f05 h VAL 5 CO 0.73 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.93 2f05 h GLU 6 N -0.82 0.16 -0.37 1.57 4.39 -1.98 -0.31 114.58 117.22 2f05 h GLU 6 Ca -0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2f05 h GLU 6 Cb 0.71 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2f05 h GLU 6 CO -0.01 0.23 -0.13 0.35 -1.16 0.00 0.00 179.01 178.29 2f05 h PHE 7 N 0.16 0.84 -0.64 4.33 3.57 -1.87 0.35 116.94 123.68 2f05 h PHE 7 Ca 0.04 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 2f05 h PHE 7 Cb 0.21 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2f05 h PHE 7 CO 0.00 0.90 0.28 -0.91 -2.23 0.00 0.00 178.31 176.35 2f05 h ASN 8 N 0.53 0.87 -0.54 0.41 2.35 0.25 0.31 115.58 119.76 2f05 h ASN 8 Ca 0.09 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2f05 h ASN 8 Cb 0.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2f05 h ASN 8 CO 0.04 0.78 0.27 0.78 -1.65 0.00 0.00 177.43 177.65 2f05 h ASN 9 N 0.89 0.70 -0.37 5.81 2.35 -0.87 0.15 115.58 124.24 2f05 h ASN 9 Ca 0.22 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2f05 h ASN 9 Cb 0.17 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2f05 h ASN 9 CO -0.02 0.62 0.20 0.00 -1.65 0.00 0.00 177.43 176.58 2f05 h ALA 10 N 1.10 0.47 -0.57 -0.83 0.00 0.26 0.14 119.26 119.83 2f05 h ALA 10 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2f05 h ALA 10 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2f05 h ALA 10 CO -0.02 0.01 0.32 0.82 0.00 0.00 0.00 179.25 180.38 2f05 h ILE 11 N 0.47 1.17 -0.52 0.00 5.03 -0.10 0.52 117.51 124.09 2f05 h ILE 11 Ca 0.13 -0.42 -0.02 0.00 -0.12 0.00 0.00 64.86 64.43 2f05 h ILE 11 Cb 0.07 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.23 2f05 h ILE 11 CO -0.02 0.19 0.26 0.28 -0.68 0.00 0.00 178.15 178.18 2f05 h SER 12 N 0.79 0.66 -0.15 1.72 0.02 0.29 0.71 113.55 117.60 2f05 h SER 12 Ca 0.20 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2f05 h SER 12 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2f05 h SER 12 CO -0.03 0.59 0.07 0.22 -1.14 0.00 0.00 176.83 176.54 2f05 h TYR 13 N 0.69 0.21 -0.29 3.45 3.20 -0.32 -2.18 116.97 121.74 2f05 h TYR 13 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2f05 h TYR 13 Cb 0.09 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2f05 h TYR 13 CO -0.01 0.24 0.02 0.28 -1.64 0.00 0.00 178.16 177.06 2f05 h VAL 14 N 0.12 1.25 -0.81 1.81 2.07 0.43 -2.19 116.25 118.93 2f05 h VAL 14 Ca 0.05 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.78 2f05 h VAL 14 Cb 0.11 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2f05 h VAL 14 CO -0.01 0.28 0.53 -1.13 0.02 0.00 0.00 177.57 177.26 2f05 h ASN 15 N 0.30 0.74 -0.34 0.57 -1.24 0.44 0.32 115.58 116.37 2f05 h ASN 15 Ca 0.08 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2f05 h ASN 15 Cb 0.39 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 2f05 h ASN 15 CO 0.01 0.46 0.18 0.50 -1.29 0.00 0.00 177.43 177.29 2f05 h LYS 16 N 0.83 0.47 -0.16 6.67 3.64 -1.12 -1.32 116.57 125.57 2f05 h LYS 16 Ca 0.36 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2f05 h LYS 16 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2f05 h LYS 16 CO -0.13 0.39 0.10 0.82 -2.27 0.00 0.00 179.45 178.36 2f05 h ILE 17 N 0.42 1.06 -0.77 2.00 2.04 -0.24 0.24 117.51 122.26 2f05 h ILE 17 Ca 0.12 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.98 2f05 h ILE 17 Cb 0.06 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2f05 h ILE 17 CO -0.02 0.06 0.33 0.11 0.00 0.00 0.00 178.15 178.63 2f05 h LYS 18 N 0.19 0.48 -0.04 2.37 1.57 -0.23 0.18 116.57 121.09 2f05 h LYS 18 Ca 0.06 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2f05 h LYS 18 Cb 0.00 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.21 2f05 h LYS 18 CO -0.01 0.32 -0.33 1.15 -0.57 0.00 0.00 179.45 180.01 2f05 h THR 19 N 0.49 1.46 0.00 -0.16 2.02 -0.99 -1.63 112.91 114.11 2f05 h THR 19 Ca 0.42 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 2f05 h THR 19 Cb 0.61 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2f05 h THR 19 CO -0.38 0.52 -0.12 0.03 0.37 0.00 0.00 175.52 175.94 2f05 h ARG 20 N -0.26 0.00 -0.25 6.66 2.47 0.24 -2.22 114.38 121.02 2f05 h ARG 20 Ca -0.03 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.48 2f05 h ARG 20 Cb 1.02 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.10 2f05 h ARG 20 CO 0.07 0.12 -0.76 1.19 0.56 0.00 0.00 179.97 181.15 2f05 n PHE 21 N -3.31 0.86 0.10 3.04 3.01 0.55 -4.81 117.46 116.90 2f05 n PHE 21 Ca -0.00 -1.57 0.03 0.00 1.01 0.00 0.00 57.45 56.92 2f05 n PHE 21 Cb 0.34 -0.25 0.40 0.00 -0.01 0.00 0.00 39.48 39.96 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2f05 h LEU 22 N 1.49 0.27 -1.50 4.37 6.46 -0.64 0.21 115.31 125.98 2f05 h LEU 22 Ca 0.04 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2f05 h LEU 22 Cb 1.34 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2f05 h LEU 22 CO 0.24 0.37 0.00 -0.67 -0.62 0.00 0.00 178.44 177.76 2f05 n ASP 23 N -4.32 2.31 -3.49 1.25 2.03 -1.26 -4.52 116.55 108.54 2f05 n ASP 23 Ca -0.00 -1.77 -0.27 0.00 0.52 0.00 0.00 54.79 53.27 2f05 n ASP 23 Cb 0.23 -0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.50 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 0.79 1.42 0.26 -0.67 8.25 0.06 -4.94 115.22 120.40 2f05 n HIS 24 Ca 0.17 -3.84 0.11 0.00 -0.26 0.00 0.00 57.72 53.90 2f05 n HIS 24 Cb 0.48 -0.31 0.72 0.00 1.12 0.00 0.00 29.99 32.00 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 4.85 0.00 -0.87 -0.41 0.11 -1.79 -2.08 132.00 131.80 2f05 h PRO 25 Ca 0.18 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.31 2f05 h PRO 25 Cb 0.80 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 2f05 h PRO 25 CO 0.60 0.09 0.58 1.05 -0.21 0.00 0.00 178.00 180.10 2f05 h GLU 26 N 0.00 1.10 -0.08 1.05 4.11 -1.92 -0.13 114.58 118.71 2f05 h GLU 26 Ca -0.00 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.15 2f05 h GLU 26 Cb 0.21 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2f05 h GLU 26 CO 0.01 0.73 -0.79 0.82 0.07 0.00 0.00 179.01 179.85 2f05 h ILE 27 N 1.13 1.31 0.11 -1.06 2.04 -1.72 -0.76 117.51 118.55 2f05 h ILE 27 Ca 0.33 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 64.16 2f05 h ILE 27 Cb -0.05 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2f05 h ILE 27 CO -0.09 0.63 -0.14 0.22 0.00 0.00 0.00 178.15 178.77 2f05 h TYR 28 N 0.35 -0.36 -0.57 1.37 3.20 -1.41 -1.78 116.97 117.78 2f05 h TYR 28 Ca -0.08 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2f05 h TYR 28 Cb 1.44 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.83 2f05 h TYR 28 CO 0.10 -0.21 0.37 -0.09 -1.64 0.00 0.00 178.16 176.69 2f05 h ARG 29 N -0.29 0.72 0.00 1.82 2.43 -0.98 -1.34 114.38 116.74 2f05 h ARG 29 Ca 0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2f05 h ARG 29 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2f05 h ARG 29 CO -0.06 0.48 -0.21 0.77 -1.51 0.00 0.00 179.97 179.43 2f05 h SER 30 N 0.75 0.00 -0.03 -3.80 0.02 -0.84 -1.73 113.55 107.92 2f05 h SER 30 Ca 0.21 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2f05 h SER 30 Cb -0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2f05 h SER 30 CO -0.06 0.21 -0.31 0.15 -1.14 0.00 0.00 176.83 175.69 2f05 h PHE 31 N 0.00 0.37 -0.87 3.45 3.57 -0.77 -3.27 116.94 119.42 2f05 h PHE 31 Ca -0.00 -0.18 0.14 0.00 3.53 0.00 0.00 57.97 61.46 2f05 h PHE 31 Cb 0.39 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 2f05 h PHE 31 CO 0.00 0.94 0.56 -0.07 -2.23 0.00 0.00 178.31 177.51 2f05 h LEU 32 N -0.31 0.63 -1.11 0.59 3.38 -0.61 0.70 115.31 118.57 2f05 h LEU 32 Ca -0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2f05 h LEU 32 Cb 1.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2f05 h LEU 32 CO 0.06 0.33 -0.18 1.05 0.09 0.00 0.00 178.44 179.79 2f05 h GLU 33 N 0.67 0.41 -0.28 1.13 4.11 -1.41 -2.02 114.58 117.19 2f05 h GLU 33 Ca 0.43 -0.13 -0.08 0.00 0.07 0.00 0.00 59.36 59.66 2f05 h GLU 33 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2f05 h GLU 33 CO -0.19 0.58 -0.14 0.82 0.07 0.00 0.00 179.01 180.16 2f05 h ILE 34 N 0.38 1.30 -0.22 -1.06 2.04 -0.92 -0.13 117.51 118.89 2f05 h ILE 34 Ca 0.07 -1.23 -0.16 0.00 1.00 0.00 0.00 64.86 64.54 2f05 h ILE 34 Cb 0.53 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2f05 h ILE 34 CO 0.03 0.39 -0.53 -0.07 0.00 0.00 0.00 178.15 177.98 2f05 h LEU 35 N 0.33 0.71 -0.44 1.44 -0.00 -1.29 0.48 115.31 116.53 2f05 h LEU 35 Ca 0.06 -0.37 -0.03 0.00 -0.00 0.00 0.00 57.88 57.54 2f05 h LEU 35 Cb 0.65 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2f05 h LEU 35 CO 0.04 1.10 0.15 -0.74 -0.00 0.00 0.00 178.44 178.99 2f05 h HIS 36 N 0.50 0.70 -0.64 1.13 2.76 -1.31 -0.84 115.15 117.44 2f05 h HIS 36 Ca 0.02 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2f05 h HIS 36 Cb 1.08 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2f05 h HIS 36 CO 0.05 0.62 0.37 1.15 -1.30 0.00 0.00 177.93 178.82 2f05 h THR 37 N 0.57 1.19 0.14 6.26 2.02 -0.75 -1.47 112.91 120.88 2f05 h THR 37 Ca 0.14 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2f05 h THR 37 Cb 0.24 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2f05 h THR 37 CO -0.01 0.21 -0.07 0.22 0.37 0.00 0.00 175.52 176.24 2f05 h TYR 38 N 0.87 -0.18 -0.87 3.16 3.20 0.36 0.57 116.97 124.09 2f05 h TYR 38 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2f05 h TYR 38 Cb 0.01 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2f05 h TYR 38 CO -0.01 -0.09 0.49 1.96 -1.64 0.00 0.00 178.16 178.86 2f05 h GLN 39 N -0.21 1.20 0.00 1.82 1.08 -1.01 -0.26 115.11 117.72 2f05 h GLN 39 Ca -0.02 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2f05 h GLN 39 Cb 0.17 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2f05 h GLN 39 CO 0.03 0.87 0.00 0.87 -0.95 0.00 0.00 178.83 179.65 2f05 h LYS 40 N 1.21 0.00 0.02 1.46 6.56 -0.92 -2.75 116.57 122.15 2f05 h LYS 40 Ca 0.31 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.53 2f05 h LYS 40 Cb 0.01 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.62 2f05 h LYS 40 CO -0.05 0.00 -2.08 -1.91 -2.06 0.00 0.00 179.45 173.35 2f05 n GLU 41 N -2.36 0.62 -0.03 3.15 4.07 0.16 -4.64 120.64 121.61 2f05 n GLU 41 Ca 0.05 0.33 -0.13 0.00 -0.06 0.00 0.00 57.16 57.35 2f05 n GLU 41 Cb 0.40 -1.61 -0.10 0.00 -0.06 0.00 0.00 31.44 30.08 2f05 n GLU 41 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2f05 h GLN 42 N -0.64 0.12 -5.61 5.31 1.08 -1.16 -3.40 115.11 110.81 2f05 h GLN 42 Ca -0.53 -0.07 -0.63 0.00 -1.45 0.00 0.00 58.65 55.96 2f05 h GLN 42 Cb 1.65 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.95 2f05 h GLN 42 CO -0.22 0.64 1.04 -0.51 -0.95 0.00 0.00 178.83 178.83 2f05 s LEU 43 N -9.04 4.21 -0.13 1.46 2.01 -1.04 -4.55 118.68 111.61 2f05 s LEU 43 Ca -0.16 -1.51 0.01 0.00 0.01 0.00 0.00 54.13 52.49 2f05 s LEU 43 Cb 0.02 -2.48 0.02 0.00 0.01 0.00 0.00 46.19 43.76 2f05 s LEU 43 CO 0.70 -1.36 -0.14 -1.00 1.01 0.00 0.00 176.35 175.57 2f05 s HIS 44 N 4.02 2.02 0.00 0.29 3.76 -1.26 -4.84 115.29 119.27 2f05 s HIS 44 Ca 0.36 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2f05 s HIS 44 Cb -0.05 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.15 2f05 s HIS 44 CO -0.04 -0.57 0.00 2.41 -0.85 0.00 0.00 174.74 175.69 2f05 n THR 45 N 4.54 0.00 0.00 1.30 -1.04 -1.26 -3.32 114.28 114.50 2f05 n THR 45 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2f05 n THR 45 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2f05 n THR 45 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2f05 n LYS 46 N 0.00 0.00 -4.91 -2.82 2.85 -1.26 -5.09 118.16 106.94 2f05 n LYS 46 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 2f05 n LYS 46 Cb 0.00 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.21 2f05 n LYS 46 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2f05 s GLY 47 N -1.11 1.23 0.15 2.58 0.00 -1.21 -5.10 107.32 103.87 2f05 s GLY 47 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 44.72 43.51 2f05 s GLY 47 CO 0.00 -0.13 1.51 -1.60 0.00 0.00 0.00 173.10 172.88 2f05 s ARG 48 N 0.58 4.25 -0.38 2.90 3.52 -1.26 -4.74 118.95 123.82 2f05 s ARG 48 Ca -0.14 2.27 -0.29 0.00 -0.13 0.00 0.00 55.73 57.44 2f05 s ARG 48 Cb -0.17 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 2f05 s ARG 48 CO 0.04 -0.54 1.12 -1.25 -0.81 0.00 0.00 175.30 173.86 2f05 s PRO 49 N 1.04 3.92 -1.27 5.12 0.04 -1.26 -4.94 135.00 137.65 2f05 s PRO 49 Ca 0.68 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.47 2f05 s PRO 49 Cb -0.42 -3.82 0.13 0.00 0.04 0.00 0.00 34.50 30.44 2f05 s PRO 49 CO 0.32 -1.11 1.65 0.34 0.04 0.00 0.00 177.00 178.23 2f05 n PHE 50 N 7.33 4.45 -3.36 0.56 -0.00 -1.26 -4.66 117.46 120.52 2f05 n PHE 50 Ca 0.12 -3.10 0.02 0.00 -0.00 0.00 0.00 57.45 54.49 2f05 n PHE 50 Cb 0.48 -2.30 -0.04 0.00 -0.00 0.00 0.00 39.48 37.62 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2f05 s ARG 51 N 2.19 0.27 0.00 -4.13 3.00 -1.26 -5.13 118.95 113.88 2f05 s ARG 51 Ca 0.46 0.65 0.00 0.00 -1.00 0.00 0.00 55.73 55.83 2f05 s ARG 51 Cb 0.02 0.39 0.00 0.00 0.00 0.00 0.00 34.95 35.36 2f05 s ARG 51 CO 0.02 -0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.62 2f05 n GLY 52 N 4.99 0.19 3.57 8.12 0.00 -1.26 -5.02 105.19 115.78 2f05 n GLY 52 Ca -0.08 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.93 2.89 0.50 1.61 1.75 -1.26 -4.95 119.30 117.91 2f05 s MET 53 Ca 0.00 1.03 -0.20 0.00 -1.25 0.00 0.00 55.69 55.27 2f05 s MET 53 Cb 0.00 -4.32 -0.08 0.00 2.84 0.00 0.00 34.83 33.27 2f05 s MET 53 CO 0.00 -2.40 1.07 0.45 -0.65 0.00 0.00 175.02 173.50 2f05 s SER 54 N 7.56 6.14 0.43 1.11 0.15 -1.26 -4.87 113.70 122.96 2f05 s SER 54 Ca 0.75 2.03 0.11 0.00 0.70 0.00 0.00 55.95 59.54 2f05 s SER 54 Cb -0.17 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.52 2f05 s SER 54 CO 0.27 -0.92 2.03 -0.08 1.20 0.00 0.00 173.24 175.74 2f05 h GLU 55 N 1.49 0.27 -0.47 5.44 4.81 -1.98 0.10 114.58 124.24 2f05 h GLU 55 Ca -0.50 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2f05 h GLU 55 Cb 1.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2f05 h GLU 55 CO 0.58 0.26 0.10 1.49 -0.73 0.00 0.00 179.01 180.71 2f05 h GLU 56 N 0.27 0.77 0.00 1.92 4.81 -1.98 0.14 114.58 120.50 2f05 h GLU 56 Ca 0.07 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 2f05 h GLU 56 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2f05 h GLU 56 CO -0.00 0.76 -0.60 1.05 -0.73 0.00 0.00 179.01 179.49 2f05 h GLU 57 N 0.64 0.00 0.39 1.92 4.11 -1.51 0.27 114.58 120.40 2f05 h GLU 57 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 2f05 h GLU 57 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2f05 h GLU 57 CO 0.00 0.60 -0.19 0.28 0.07 0.00 0.00 179.01 179.78 2f05 h VAL 58 N 0.00 0.62 -0.21 -1.06 2.07 -0.62 -0.95 116.25 116.11 2f05 h VAL 58 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2f05 h VAL 58 Cb 1.17 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2f05 h VAL 58 CO 0.08 0.03 0.00 0.15 0.02 0.00 0.00 177.57 177.85 2f05 h PHE 59 N -0.60 0.30 0.24 1.57 3.57 -0.29 -1.19 116.94 120.54 2f05 h PHE 59 Ca -0.05 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2f05 h PHE 59 Cb 0.44 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2f05 h PHE 59 CO -0.03 0.31 -0.16 1.15 -2.23 0.00 0.00 178.31 177.35 2f05 h THR 60 N 0.30 0.66 0.00 4.41 2.02 -0.06 0.55 112.91 120.79 2f05 h THR 60 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 2f05 h THR 60 Cb 0.20 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2f05 h THR 60 CO 0.00 0.00 -0.49 -0.33 0.37 0.00 0.00 175.52 175.07 2f05 h GLU 61 N -0.39 0.00 -0.04 6.66 5.08 -0.48 0.15 114.58 125.57 2f05 h GLU 61 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2f05 h GLU 61 Cb 0.33 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.60 2f05 h GLU 61 CO 0.02 0.49 -0.91 0.28 -1.00 0.00 0.00 179.01 177.89 2f05 h VAL 62 N 0.00 1.30 -0.42 3.13 2.07 -1.02 -0.34 116.25 120.98 2f05 h VAL 62 Ca -0.00 -2.15 -0.13 0.00 0.82 0.00 0.00 66.70 65.24 2f05 h VAL 62 Cb 0.89 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2f05 h VAL 62 CO 0.06 0.66 -0.24 0.00 0.02 0.00 0.00 177.57 178.08 2f05 h ALA 63 N 0.42 0.79 0.00 1.67 0.00 0.35 -0.30 119.26 122.19 2f05 h ALA 63 Ca -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2f05 h ALA 63 Cb 1.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2f05 h ALA 63 CO 0.18 0.65 -0.27 -0.97 0.00 0.00 0.00 179.25 178.85 2f05 h ASN 64 N 0.74 0.00 0.12 0.00 -1.24 -0.72 -0.00 115.58 114.48 2f05 h ASN 64 Ca 0.10 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2f05 h ASN 64 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2f05 h ASN 64 CO 0.06 0.27 -0.06 0.25 -1.29 0.00 0.00 177.43 176.66 2f05 h LEU 65 N 0.00 -0.14 -3.91 0.34 7.12 -0.42 -3.33 115.31 114.97 2f05 h LEU 65 Ca -0.00 -0.42 -0.61 0.00 0.13 0.00 0.00 57.88 56.97 2f05 h LEU 65 Cb 0.50 0.04 -0.32 0.00 -0.53 0.00 0.00 40.66 40.35 2f05 h LEU 65 CO 0.03 0.43 0.41 0.49 -0.13 0.00 0.00 178.44 179.67 2f05 n PHE 66 N -4.89 3.00 -1.98 1.25 3.72 -0.18 -4.99 117.46 113.38 2f05 n PHE 66 Ca -0.08 -2.68 -0.43 0.00 -0.05 0.00 0.00 57.45 54.21 2f05 n PHE 66 Cb 0.28 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 2f05 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2f05 s ARG 67 N -3.71 3.44 0.00 -1.08 1.70 -0.03 -0.81 118.95 118.47 2f05 s ARG 67 Ca 0.60 1.55 0.00 0.00 -0.47 0.00 0.00 55.73 57.41 2f05 s ARG 67 Cb 0.48 -4.17 0.00 0.00 -0.57 0.00 0.00 34.95 30.68 2f05 s ARG 67 CO 0.01 -1.73 0.00 0.41 -1.08 0.00 0.00 175.30 172.91 2f05 n GLY 68 N 5.27 1.86 3.33 3.88 0.00 -1.26 -5.00 105.19 113.26 2f05 n GLY 68 Ca 0.22 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 3.51 0.20 1.61 1.13 0.01 -4.79 117.38 119.04 2f05 n GLN 69 Ca 0.00 -3.98 0.14 0.00 -1.94 0.00 0.00 57.00 51.22 2f05 n GLN 69 Cb 0.00 -2.89 0.58 0.00 0.11 0.00 0.00 30.24 28.05 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 6.73 0.00 0.17 -1.09 5.08 -1.95 -2.91 114.58 120.61 2f05 h GLU 70 Ca 0.29 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2f05 h GLU 70 Cb 0.82 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2f05 h GLU 70 CO 1.26 0.00 -0.47 -0.44 -1.00 0.00 0.00 179.01 178.35 2f05 h ASP 71 N 0.00 -1.38 0.14 1.42 5.19 -1.93 -1.41 116.42 118.44 2f05 h ASP 71 Ca 0.00 0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 2f05 h ASP 71 Cb 0.43 0.51 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2f05 h ASP 71 CO 0.00 -0.54 -0.19 -0.07 -3.12 0.00 0.00 179.24 175.32 2f05 h LEU 72 N -0.74 0.11 -0.71 1.55 3.38 -1.89 -1.02 115.31 116.00 2f05 h LEU 72 Ca 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2f05 h LEU 72 Cb 0.74 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2f05 h LEU 72 CO -0.24 0.31 -0.62 -0.07 0.09 0.00 0.00 178.44 177.91 2f05 h LEU 73 N 0.11 0.09 0.01 1.67 3.38 -1.49 0.16 115.31 119.24 2f05 h LEU 73 Ca 0.02 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 2f05 h LEU 73 Cb 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2f05 h LEU 73 CO 0.03 0.69 -1.10 0.28 0.09 0.00 0.00 178.44 178.43 2f05 h SER 74 N 0.06 0.31 -0.16 -0.43 0.02 -0.14 -2.51 113.55 110.70 2f05 h SER 74 Ca -0.01 -0.31 -0.21 0.00 -0.84 0.00 0.00 61.79 60.43 2f05 h SER 74 Cb 1.12 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.56 2f05 h SER 74 CO 0.09 1.21 -0.70 -0.33 -1.14 0.00 0.00 176.83 175.95 2f05 h GLU 75 N 0.07 0.76 -0.53 3.45 5.08 -0.86 -2.92 114.58 119.64 2f05 h GLU 75 Ca -0.09 -0.60 0.01 0.00 -1.00 0.00 0.00 59.36 57.68 2f05 h GLU 75 Cb 1.82 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 2f05 h GLU 75 CO 0.17 1.22 0.35 0.35 -1.00 0.00 0.00 179.01 180.10 2f05 h PHE 76 N 0.48 0.66 0.00 4.33 3.57 -0.74 -0.38 116.94 124.86 2f05 h PHE 76 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 76 Cb 1.33 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2f05 h PHE 76 CO 0.09 0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.99 2f05 n GLY 77 N -1.46 -0.99 0.13 2.40 0.00 -0.94 -2.00 105.19 102.33 2f05 n GLY 77 Ca 0.05 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2f05 n GLY 77 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2f05 n GLN 78 N -1.80 0.64 0.27 1.61 0.00 -0.22 -4.48 117.38 113.41 2f05 n GLN 78 Ca 0.02 0.25 0.15 0.00 -0.00 0.00 0.00 57.00 57.42 2f05 n GLN 78 Cb 0.15 -1.57 0.73 0.00 0.00 0.00 0.00 30.24 29.55 2f05 n GLN 78 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2f05 h PHE 79 N -0.39 0.00 -4.10 3.69 0.04 -1.05 -3.45 116.94 111.68 2f05 h PHE 79 Ca -0.56 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.70 2f05 h PHE 79 Cb 1.77 0.00 0.08 0.00 2.20 0.00 0.00 35.95 40.00 2f05 h PHE 79 CO 0.01 0.09 0.43 -0.51 -0.60 0.00 0.00 178.31 177.74 2f05 s LEU 80 N -6.74 3.71 0.16 1.54 1.43 -0.85 -4.99 118.68 112.94 2f05 s LEU 80 Ca -0.01 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 2f05 s LEU 80 Cb 0.11 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 2f05 s LEU 80 CO 0.56 -1.29 1.33 -2.16 0.23 0.00 0.00 176.35 175.02 2f05 s PRO 81 N -3.37 4.37 -1.33 1.29 0.04 -1.26 -2.78 135.00 131.96 2f05 s PRO 81 Ca 0.73 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 2f05 s PRO 81 Cb -0.24 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2f05 s PRO 81 CO 0.29 -0.31 1.15 0.39 0.04 0.00 0.00 177.00 178.56 2f05 n GLU 82 N 3.13 -7.79 -0.25 4.56 -0.58 -1.26 -4.88 120.64 113.57 2f05 n GLU 82 Ca 0.08 0.81 0.15 0.00 -0.42 0.00 0.00 57.16 57.79 2f05 n GLU 82 Cb 0.43 -5.82 0.45 0.00 -0.57 0.00 0.00 31.44 25.93 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f05 h ALA 83 N 1.00 2.01 0.00 0.62 0.00 -1.79 0.01 119.26 121.11 2f05 h ALA 83 Ca -0.56 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 83 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2f05 h ALA 83 CO 0.55 -0.28 -0.50 1.57 0.00 0.00 0.00 179.25 180.59 2f05 h LYS 84 N 0.54 0.00 -0.00 0.00 2.10 -1.89 -3.47 116.57 113.86 2f05 h LYS 84 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2f05 h LYS 84 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2f05 h LYS 84 CO -0.19 0.00 0.00 -2.13 -2.00 0.00 0.00 179.45 175.13