#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 2.16 -4.10 4.31 7.64 -1.26 -5.08 113.62 117.29 2f05 n SER 2 Ca 0.00 -2.57 -0.34 0.00 1.01 0.00 0.00 58.87 56.97 2f05 n SER 2 Cb 0.00 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.65 2f05 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2f05 s ASP 3 N -4.63 5.03 -0.55 6.43 1.01 -1.26 -5.02 116.67 117.67 2f05 s ASP 3 Ca 0.61 -1.89 -0.21 0.00 0.71 0.00 0.00 52.55 51.77 2f05 s ASP 3 Cb -0.05 -1.74 0.06 0.00 1.01 0.00 0.00 42.92 42.20 2f05 s ASP 3 CO 0.39 -0.43 0.77 -0.55 0.21 0.00 0.00 175.17 175.56 2f05 s SER 4 N 1.45 6.24 0.14 0.27 0.15 -1.26 -4.91 113.70 115.78 2f05 s SER 4 Ca 0.06 -0.85 -0.13 0.00 0.70 0.00 0.00 55.95 55.73 2f05 s SER 4 Cb -0.21 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2f05 s SER 4 CO -0.05 -1.10 1.54 0.58 1.20 0.00 0.00 173.24 175.42 2f05 h VAL 5 N 5.93 1.27 -0.25 4.45 2.07 -1.98 0.34 116.25 128.08 2f05 h VAL 5 Ca -0.28 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 2f05 h VAL 5 Cb 1.08 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2f05 h VAL 5 CO 1.05 0.42 -0.25 -0.33 0.02 0.00 0.00 177.57 178.48 2f05 h GLU 6 N 0.67 0.49 -0.09 1.57 4.39 -1.99 -0.36 114.58 119.27 2f05 h GLU 6 Ca 0.11 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2f05 h GLU 6 Cb 0.66 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2f05 h GLU 6 CO 0.05 0.71 -0.07 0.35 -1.16 0.00 0.00 179.01 178.88 2f05 h PHE 7 N 0.43 0.24 -0.32 4.33 3.57 -1.89 -0.65 116.94 122.65 2f05 h PHE 7 Ca 0.06 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2f05 h PHE 7 Cb 0.67 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2f05 h PHE 7 CO 0.02 0.61 0.02 -0.91 -2.23 0.00 0.00 178.31 175.82 2f05 h ASN 8 N -0.20 0.44 -0.17 0.41 2.35 -0.02 0.64 115.58 119.03 2f05 h ASN 8 Ca 0.02 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2f05 h ASN 8 Cb 0.56 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2f05 h ASN 8 CO 0.02 0.49 0.09 0.78 -1.65 0.00 0.00 177.43 177.17 2f05 h ASN 9 N 0.46 0.22 -0.91 5.81 2.35 -0.95 0.14 115.58 122.70 2f05 h ASN 9 Ca 0.10 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2f05 h ASN 9 Cb 0.27 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 2f05 h ASN 9 CO 0.01 0.24 0.58 0.00 -1.65 0.00 0.00 177.43 176.60 2f05 h ALA 10 N 0.99 1.16 -0.43 -0.83 0.00 0.15 -0.86 119.26 119.44 2f05 h ALA 10 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2f05 h ALA 10 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2f05 h ALA 10 CO -0.01 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.61 2f05 h ILE 11 N 1.25 1.27 -0.76 0.00 1.08 0.54 0.17 117.51 121.05 2f05 h ILE 11 Ca 0.33 -1.10 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2f05 h ILE 11 Cb -0.10 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 2f05 h ILE 11 CO -0.07 0.38 0.29 0.28 -0.69 0.00 0.00 178.15 178.34 2f05 h SER 12 N 0.62 1.06 -0.25 1.72 0.02 -0.69 0.75 113.55 116.78 2f05 h SER 12 Ca 0.12 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2f05 h SER 12 Cb 0.55 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2f05 h SER 12 CO 0.03 0.95 0.09 0.22 -1.14 0.00 0.00 176.83 176.98 2f05 h TYR 13 N 1.12 0.16 -0.40 3.45 3.20 -0.81 -1.87 116.97 121.82 2f05 h TYR 13 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2f05 h TYR 13 Cb 0.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2f05 h TYR 13 CO 0.02 0.08 0.15 0.28 -1.64 0.00 0.00 178.16 177.05 2f05 h VAL 14 N 0.21 1.20 -0.96 1.81 2.07 0.31 -2.63 116.25 118.26 2f05 h VAL 14 Ca 0.11 -0.64 0.13 0.00 0.82 0.00 0.00 66.70 67.12 2f05 h VAL 14 Cb 0.07 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2f05 h VAL 14 CO -0.11 0.23 0.61 -1.13 0.02 0.00 0.00 177.57 177.19 2f05 h ASN 15 N 0.51 0.81 -0.61 0.57 -0.73 0.66 0.32 115.58 117.11 2f05 h ASN 15 Ca 0.13 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.28 2f05 h ASN 15 Cb 0.21 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2f05 h ASN 15 CO -0.01 0.42 0.12 0.11 -0.37 0.00 0.00 177.43 177.70 2f05 h LYS 16 N 0.87 1.00 -0.07 6.67 1.57 -1.05 -1.71 116.57 123.84 2f05 h LYS 16 Ca 0.48 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2f05 h LYS 16 Cb 0.59 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2f05 h LYS 16 CO -0.25 0.93 0.03 0.82 -0.57 0.00 0.00 179.45 180.41 2f05 h ILE 17 N 0.90 1.10 -0.70 1.86 2.04 -0.57 0.20 117.51 122.34 2f05 h ILE 17 Ca 0.19 -0.27 0.14 0.00 1.00 0.00 0.00 64.86 65.91 2f05 h ILE 17 Cb 0.40 1.16 -0.10 0.00 -0.74 0.00 0.00 36.82 37.54 2f05 h ILE 17 CO 0.01 0.08 0.21 0.11 0.00 0.00 0.00 178.15 178.56 2f05 h LYS 18 N -0.00 0.33 -0.07 2.37 1.57 -0.23 0.13 116.57 120.66 2f05 h LYS 18 Ca 0.02 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2f05 h LYS 18 Cb 0.10 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2f05 h LYS 18 CO -0.00 0.22 -0.44 1.15 -0.57 0.00 0.00 179.45 179.80 2f05 h THR 19 N 0.34 1.40 0.00 -0.16 2.02 -1.12 -1.64 112.91 113.75 2f05 h THR 19 Ca 0.38 -1.83 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 2f05 h THR 19 Cb 0.60 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2f05 h THR 19 CO -0.43 0.54 -0.32 0.03 0.37 0.00 0.00 175.52 175.70 2f05 h ARG 20 N -0.04 0.00 -0.38 6.66 2.47 0.04 -2.58 114.38 120.55 2f05 h ARG 20 Ca -0.03 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.40 2f05 h ARG 20 Cb 1.10 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.19 2f05 h ARG 20 CO 0.09 0.32 -0.68 1.19 0.56 0.00 0.00 179.97 181.45 2f05 n PHE 21 N -3.41 1.39 -0.18 3.04 3.01 0.39 -4.77 117.46 116.92 2f05 n PHE 21 Ca 0.00 -1.85 -0.04 0.00 1.01 0.00 0.00 57.45 56.57 2f05 n PHE 21 Cb 0.51 -0.29 0.14 0.00 -0.01 0.00 0.00 39.48 39.82 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 1.62 0.90 -1.18 4.37 6.46 -0.87 -0.93 115.31 125.68 2f05 h LEU 22 Ca 0.18 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2f05 h LEU 22 Cb 1.29 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2f05 h LEU 22 CO 0.38 0.87 -0.06 -0.67 -0.62 0.00 0.00 178.44 178.34 2f05 n ASP 23 N -4.26 1.89 -3.37 1.25 2.03 -1.26 -4.43 116.55 108.40 2f05 n ASP 23 Ca 0.05 -1.57 -0.26 0.00 0.52 0.00 0.00 54.79 53.53 2f05 n ASP 23 Cb 0.24 0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.39 2.66 0.28 -0.67 8.25 -0.36 -4.92 115.22 120.86 2f05 n HIS 24 Ca 0.16 -4.01 0.15 0.00 -0.26 0.00 0.00 57.72 53.76 2f05 n HIS 24 Cb 0.43 -0.51 0.81 0.00 1.12 0.00 0.00 29.99 31.84 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 4.16 0.00 -0.42 -0.41 0.11 -1.77 -2.01 132.00 131.66 2f05 h PRO 25 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2f05 h PRO 25 Cb 0.72 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 2f05 h PRO 25 CO 0.74 0.08 0.16 1.05 -0.21 0.00 0.00 178.00 179.82 2f05 h GLU 26 N 0.00 0.59 -0.11 1.05 4.11 -1.91 -0.02 114.58 118.29 2f05 h GLU 26 Ca -0.00 -0.08 -0.22 0.00 0.07 0.00 0.00 59.36 59.13 2f05 h GLU 26 Cb 0.28 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.43 2f05 h GLU 26 CO 0.01 0.50 -0.81 0.82 0.07 0.00 0.00 179.01 179.60 2f05 h ILE 27 N 0.59 1.30 -0.19 -1.06 2.04 -1.70 -0.46 117.51 118.03 2f05 h ILE 27 Ca 0.14 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 63.95 2f05 h ILE 27 Cb 0.14 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2f05 h ILE 27 CO -0.01 0.64 0.10 0.22 0.00 0.00 0.00 178.15 179.10 2f05 h TYR 28 N 0.46 0.19 -0.60 1.37 3.20 -1.42 -1.18 116.97 119.00 2f05 h TYR 28 Ca -0.06 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 2f05 h TYR 28 Cb 1.44 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 2f05 h TYR 28 CO 0.08 0.12 -0.01 0.00 -1.64 0.00 0.00 178.16 176.71 2f05 h ARG 29 N 0.22 1.07 0.00 1.82 3.08 -0.92 -0.76 114.38 118.88 2f05 h ARG 29 Ca 0.07 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2f05 h ARG 29 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2f05 h ARG 29 CO -0.04 1.05 -0.20 0.77 -1.07 0.00 0.00 179.97 180.48 2f05 h SER 30 N 0.97 0.00 -0.03 7.04 0.02 -0.77 -0.66 113.55 120.12 2f05 h SER 30 Ca 0.17 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2f05 h SER 30 Cb 0.57 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 2f05 h SER 30 CO 0.03 0.20 -0.30 0.15 -1.14 0.00 0.00 176.83 175.77 2f05 h PHE 31 N 0.00 0.36 -0.69 3.45 3.57 -0.67 -3.20 116.94 119.76 2f05 h PHE 31 Ca -0.00 -0.18 0.12 0.00 3.53 0.00 0.00 57.97 61.44 2f05 h PHE 31 Cb 0.37 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2f05 h PHE 31 CO 0.00 0.94 0.46 -0.07 -2.23 0.00 0.00 178.31 177.41 2f05 h LEU 32 N -0.32 0.41 -1.14 0.59 3.38 -0.52 0.16 115.31 117.86 2f05 h LEU 32 Ca -0.03 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2f05 h LEU 32 Cb 1.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2f05 h LEU 32 CO 0.06 0.23 -0.41 1.05 0.09 0.00 0.00 178.44 179.46 2f05 h GLU 33 N 0.44 0.00 -0.29 1.13 4.11 -1.20 -0.36 114.58 118.41 2f05 h GLU 33 Ca 0.33 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.61 2f05 h GLU 33 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2f05 h GLU 33 CO -0.10 0.41 -0.40 0.82 0.07 0.00 0.00 179.01 179.81 2f05 h ILE 34 N 0.00 1.29 0.00 -1.06 2.04 -0.71 0.22 117.51 119.30 2f05 h ILE 34 Ca -0.00 -1.59 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 2f05 h ILE 34 Cb 0.77 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2f05 h ILE 34 CO 0.05 0.51 -0.40 -0.07 0.00 0.00 0.00 178.15 178.24 2f05 h LEU 35 N 0.54 0.00 -0.12 1.44 -0.00 -1.09 0.51 115.31 116.60 2f05 h LEU 35 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2f05 h LEU 35 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2f05 h LEU 35 CO 0.09 0.40 -0.02 -0.74 -0.00 0.00 0.00 178.44 178.18 2f05 h HIS 36 N 0.00 0.24 -0.98 1.13 2.76 -0.75 -2.01 115.15 115.54 2f05 h HIS 36 Ca -0.00 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2f05 h HIS 36 Cb 0.88 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.72 2f05 h HIS 36 CO 0.00 0.50 0.64 1.15 -1.30 0.00 0.00 177.93 178.92 2f05 h THR 37 N -0.08 1.14 -0.07 6.26 2.02 -0.11 -2.13 112.91 119.94 2f05 h THR 37 Ca 0.03 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 2f05 h THR 37 Cb 0.42 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2f05 h THR 37 CO 0.01 0.22 -0.45 0.22 0.37 0.00 0.00 175.52 175.89 2f05 h TYR 38 N 1.20 0.19 0.00 3.16 3.20 0.10 -2.20 116.97 122.63 2f05 h TYR 38 Ca 0.40 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2f05 h TYR 38 Cb 0.06 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 2f05 h TYR 38 CO -0.00 0.59 -0.11 1.96 -1.64 0.00 0.00 178.16 178.95 2f05 h GLN 39 N 0.13 0.00 0.00 1.82 4.20 -0.68 -2.47 115.11 118.11 2f05 h GLN 39 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2f05 h GLN 39 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2f05 h GLN 39 CO 0.07 0.11 0.00 0.87 -0.67 0.00 0.00 178.83 179.21 2f05 h LYS 40 N 0.00 0.00 0.15 1.46 1.79 -1.19 0.24 116.57 119.02 2f05 h LYS 40 Ca -0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 2f05 h LYS 40 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2f05 h LYS 40 CO 0.01 0.00 -1.71 0.93 -1.08 0.00 0.00 179.45 177.60 2f05 h GLU 41 N 0.00 0.31 -0.05 3.15 4.39 -1.57 -3.37 114.58 117.44 2f05 h GLU 41 Ca 0.00 -0.54 -0.12 0.00 0.34 0.00 0.00 59.36 59.05 2f05 h GLU 41 Cb 0.28 0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2f05 h GLU 41 CO 0.00 1.20 -0.42 1.96 -1.16 0.00 0.00 179.01 180.59 2f05 h GLN 42 N 0.09 0.38 -6.73 2.33 1.08 -1.30 -3.43 115.11 107.52 2f05 h GLN 42 Ca -0.32 -0.34 -0.49 0.00 -1.45 0.00 0.00 58.65 56.05 2f05 h GLN 42 Cb 2.06 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 29.55 2f05 h GLN 42 CO 0.16 0.99 0.21 -0.51 -0.95 0.00 0.00 178.83 178.73 2f05 s LEU 43 N -8.57 4.29 -1.37 1.46 2.01 0.76 -4.95 118.68 112.32 2f05 s LEU 43 Ca -0.14 1.58 -0.14 0.00 0.01 0.00 0.00 54.13 55.44 2f05 s LEU 43 Cb 0.04 -3.84 0.08 0.00 0.01 0.00 0.00 46.19 42.47 2f05 s LEU 43 CO 0.79 -0.05 1.99 1.57 1.01 0.00 0.00 176.35 181.67 2f05 n HIS 44 N 0.48 3.81 -3.15 0.29 -0.00 -1.26 -4.62 115.22 110.77 2f05 n HIS 44 Ca 0.00 -2.94 0.04 0.00 -0.00 0.00 0.00 57.72 54.82 2f05 n HIS 44 Cb 0.51 -2.44 -0.00 0.00 -0.00 0.00 0.00 29.99 28.06 2f05 n HIS 44 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2f05 s THR 45 N 2.81 -0.97 0.00 3.57 2.01 -1.26 -5.09 115.64 116.70 2f05 s THR 45 Ca 0.47 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2f05 s THR 45 Cb 0.10 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2f05 s THR 45 CO -0.03 0.00 0.76 0.29 -0.69 0.00 0.00 174.62 174.95 2f05 n LYS 46 N 5.41 0.00 0.00 4.92 4.76 -1.26 -4.64 118.16 127.35 2f05 n LYS 46 Ca 0.05 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2f05 n LYS 46 Cb 0.54 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f05 n GLY 47 N -0.78 1.85 3.73 0.72 0.00 -1.26 -4.87 105.19 104.58 2f05 n GLY 47 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2f05 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f05 s ARG 48 N 0.00 4.31 -0.53 1.61 3.52 -1.26 -4.86 118.95 121.74 2f05 s ARG 48 Ca 0.00 2.19 -0.26 0.00 -0.13 0.00 0.00 55.73 57.53 2f05 s ARG 48 Cb 0.00 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.16 2f05 s ARG 48 CO 0.00 -0.39 2.29 -1.25 -0.81 0.00 0.00 175.30 175.14 2f05 s PRO 49 N 0.18 2.19 -0.32 5.12 0.04 -1.26 -3.53 135.00 137.42 2f05 s PRO 49 Ca 0.61 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2f05 s PRO 49 Cb -0.39 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2f05 s PRO 49 CO 0.38 -3.20 0.00 0.34 0.04 0.00 0.00 177.00 174.56 2f05 n PHE 50 N 15.33 0.00 -3.75 0.56 7.35 -1.26 -4.89 117.46 130.81 2f05 n PHE 50 Ca 0.34 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.90 2f05 n PHE 50 Cb 0.54 -2.12 -0.12 0.00 0.35 0.00 0.00 39.48 38.14 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2f05 s ARG 51 N -2.17 0.32 0.57 -4.13 6.06 -1.23 -5.15 118.95 113.22 2f05 s ARG 51 Ca 0.00 0.50 -0.00 0.00 -2.50 0.00 0.00 55.73 53.72 2f05 s ARG 51 Cb 0.00 0.07 0.11 0.00 0.06 0.00 0.00 34.95 35.19 2f05 s ARG 51 CO 0.00 -0.09 0.78 0.41 -2.50 0.00 0.00 175.30 173.90 2f05 n GLY 52 N 3.45 0.64 3.58 8.12 0.00 -1.26 -4.57 105.19 115.14 2f05 n GLY 52 Ca -0.18 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -4.52 3.70 0.41 1.61 1.75 -1.26 -5.04 119.30 115.94 2f05 s MET 53 Ca 0.52 0.15 -0.23 0.00 -1.25 0.00 0.00 55.69 54.88 2f05 s MET 53 Cb -0.03 -3.81 -0.10 0.00 2.84 0.00 0.00 34.83 33.73 2f05 s MET 53 CO 0.34 -0.79 0.97 -1.12 -0.65 0.00 0.00 175.02 173.78 2f05 s SER 54 N 1.82 6.94 0.31 1.11 0.01 -1.26 -4.92 113.70 117.71 2f05 s SER 54 Ca 0.27 1.80 0.08 0.00 1.31 0.00 0.00 55.95 59.41 2f05 s SER 54 Cb -0.14 -2.56 0.49 0.00 0.21 0.00 0.00 66.02 64.03 2f05 s SER 54 CO 0.16 -0.36 1.72 -0.08 0.41 0.00 0.00 173.24 175.09 2f05 h GLU 55 N 2.26 0.20 -0.29 12.44 4.81 -1.98 0.88 114.58 132.90 2f05 h GLU 55 Ca -0.48 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 2f05 h GLU 55 Cb 1.19 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2f05 h GLU 55 CO 0.62 0.58 -0.18 1.49 -0.73 0.00 0.00 179.01 180.79 2f05 h GLU 56 N 0.17 0.52 0.00 1.92 4.81 -1.99 -0.51 114.58 119.49 2f05 h GLU 56 Ca 0.02 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2f05 h GLU 56 Cb 0.79 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2f05 h GLU 56 CO 0.06 0.68 -0.43 1.05 -0.73 0.00 0.00 179.01 179.65 2f05 h GLU 57 N 0.47 0.00 0.40 1.92 4.11 -1.58 -2.45 114.58 117.46 2f05 h GLU 57 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2f05 h GLU 57 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2f05 h GLU 57 CO 0.04 0.41 -0.19 0.28 0.07 0.00 0.00 179.01 179.62 2f05 h VAL 58 N 0.00 0.60 -0.20 -1.06 2.07 -0.22 -2.13 116.25 115.31 2f05 h VAL 58 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2f05 h VAL 58 Cb 1.32 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2f05 h VAL 58 CO 0.05 0.05 0.05 0.15 0.02 0.00 0.00 177.57 177.89 2f05 h PHE 59 N -0.69 0.27 -0.05 1.57 3.57 -1.07 -1.77 116.94 118.77 2f05 h PHE 59 Ca -0.05 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2f05 h PHE 59 Cb 0.49 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2f05 h PHE 59 CO -0.01 0.25 0.03 1.15 -2.23 0.00 0.00 178.31 177.50 2f05 h THR 60 N 0.28 1.05 -0.06 4.41 2.02 -1.24 0.24 112.91 119.61 2f05 h THR 60 Ca 0.07 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2f05 h THR 60 Cb 0.12 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2f05 h THR 60 CO -0.00 0.05 -0.35 -0.33 0.37 0.00 0.00 175.52 175.26 2f05 h GLU 61 N 0.02 0.11 -0.15 6.66 4.39 -0.66 0.14 114.58 125.10 2f05 h GLU 61 Ca 0.02 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 2f05 h GLU 61 Cb 0.05 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2f05 h GLU 61 CO -0.00 0.45 -0.76 0.28 -1.16 0.00 0.00 179.01 177.81 2f05 h VAL 62 N 0.10 1.29 -0.36 3.13 2.07 -1.18 -0.11 116.25 121.19 2f05 h VAL 62 Ca 0.01 -1.98 -0.10 0.00 0.82 0.00 0.00 66.70 65.46 2f05 h VAL 62 Cb 0.66 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2f05 h VAL 62 CO 0.05 0.63 -0.18 0.00 0.02 0.00 0.00 177.57 178.08 2f05 h ALA 63 N 0.61 1.01 -0.57 1.67 0.00 0.04 -0.77 119.26 121.26 2f05 h ALA 63 Ca -0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2f05 h ALA 63 Cb 1.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2f05 h ALA 63 CO 0.16 0.59 0.06 -0.97 0.00 0.00 0.00 179.25 179.08 2f05 h ASN 64 N 0.60 0.89 0.50 0.00 -1.24 -0.65 -1.40 115.58 114.28 2f05 h ASN 64 Ca 0.09 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.87 2f05 h ASN 64 Cb 0.64 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2f05 h ASN 64 CO 0.05 0.92 -0.24 0.25 -1.29 0.00 0.00 177.43 177.11 2f05 h LEU 65 N 0.87 -0.57 -3.97 0.34 7.12 -0.54 -3.27 115.31 115.31 2f05 h LEU 65 Ca 0.17 -0.07 -0.66 0.00 0.13 0.00 0.00 57.88 57.45 2f05 h LEU 65 Cb 0.43 0.15 -0.31 0.00 -0.53 0.00 0.00 40.66 40.40 2f05 h LEU 65 CO 0.01 -0.21 0.65 0.49 -0.13 0.00 0.00 178.44 179.26 2f05 n PHE 66 N -5.27 3.17 -1.51 1.25 3.72 -0.34 -4.98 117.46 113.49 2f05 n PHE 66 Ca -0.11 -2.92 -0.49 0.00 -0.05 0.00 0.00 57.45 53.88 2f05 n PHE 66 Cb 0.31 -1.31 -0.06 0.00 -0.94 0.00 0.00 39.48 37.49 2f05 n PHE 66 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2f05 n ARG 67 N -0.90 1.37 0.00 -1.08 1.85 -0.53 -0.42 116.66 116.96 2f05 n ARG 67 Ca 0.60 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.86 2f05 n ARG 67 Cb 0.71 -2.60 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2f05 n GLY 68 N 6.02 2.14 3.46 2.89 0.00 -1.26 -5.01 105.19 113.42 2f05 n GLY 68 Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 2f05 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f05 s GLN 69 N -0.21 3.95 0.41 1.61 -1.52 0.44 -4.84 119.66 119.49 2f05 s GLN 69 Ca 0.00 -2.37 0.11 0.00 -1.95 0.00 0.00 55.36 51.15 2f05 s GLN 69 Cb 0.00 -5.00 0.85 0.00 -0.22 0.00 0.00 33.01 28.64 2f05 s GLN 69 CO 0.00 -1.75 1.94 0.93 -0.25 0.00 0.00 175.29 176.16 2f05 h GLU 70 N 7.62 0.18 -0.21 2.91 5.08 -1.95 -2.38 114.58 125.82 2f05 h GLU 70 Ca 0.27 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2f05 h GLU 70 Cb 0.92 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2f05 h GLU 70 CO 1.19 0.32 0.06 0.22 -1.00 0.00 0.00 179.01 179.80 2f05 h ASP 71 N 0.18 0.32 -0.41 1.42 3.58 -1.96 -0.63 116.42 118.92 2f05 h ASP 71 Ca 0.04 -0.23 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 2f05 h ASP 71 Cb 0.34 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2f05 h ASP 71 CO 0.02 0.46 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.76 2f05 h LEU 72 N 0.17 0.78 -0.65 2.28 3.38 -1.89 0.13 115.31 119.51 2f05 h LEU 72 Ca 0.07 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2f05 h LEU 72 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2f05 h LEU 72 CO 0.00 0.85 -0.46 -0.07 0.09 0.00 0.00 178.44 178.85 2f05 h LEU 73 N 0.75 0.55 -0.27 1.67 3.38 -1.23 0.44 115.31 120.59 2f05 h LEU 73 Ca 0.14 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 2f05 h LEU 73 Cb 0.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2f05 h LEU 73 CO 0.02 0.93 -0.80 0.28 0.09 0.00 0.00 178.44 178.96 2f05 h SER 74 N 0.41 0.64 0.28 -0.43 0.02 -0.61 -1.93 113.55 111.93 2f05 h SER 74 Ca 0.03 -0.44 -0.11 0.00 -0.84 0.00 0.00 61.79 60.42 2f05 h SER 74 Cb 0.97 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2f05 h SER 74 CO 0.09 1.21 -0.45 -0.33 -1.14 0.00 0.00 176.83 176.21 2f05 h GLU 75 N 0.34 0.21 -0.31 3.45 4.39 -0.44 0.12 114.58 122.34 2f05 h GLU 75 Ca -0.05 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2f05 h GLU 75 Cb 1.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 2f05 h GLU 75 CO 0.15 0.62 0.14 0.35 -1.16 0.00 0.00 179.01 179.11 2f05 h PHE 76 N 0.17 0.45 0.00 4.33 3.57 -0.81 -0.69 116.94 123.96 2f05 h PHE 76 Ca 0.01 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2f05 h PHE 76 Cb 0.87 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2f05 h PHE 76 CO 0.01 0.41 -0.43 0.78 -2.23 0.00 0.00 178.31 176.85 2f05 h GLY 77 N 0.36 0.00 0.92 2.40 0.00 -0.98 0.35 103.07 106.11 2f05 h GLY 77 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2f05 h GLY 77 CO -0.01 0.00 -0.15 -1.61 0.00 0.00 0.00 176.54 174.77 2f05 h GLN 78 N 0.00 -0.39 -0.23 4.80 -0.00 -0.42 -3.07 115.11 115.80 2f05 h GLN 78 Ca -0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.58 2f05 h GLN 78 Cb 0.79 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.35 2f05 h GLN 78 CO 0.06 -0.20 -0.25 0.35 0.00 0.00 0.00 178.83 178.79 2f05 h PHE 79 N -0.50 0.48 -4.14 3.99 3.57 -0.90 -3.44 116.94 115.99 2f05 h PHE 79 Ca -0.04 -0.10 -0.48 0.00 3.53 0.00 0.00 57.97 60.88 2f05 h PHE 79 Cb 0.37 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.02 2f05 h PHE 79 CO -0.03 0.65 0.34 -0.51 -2.23 0.00 0.00 178.31 176.53 2f05 s LEU 80 N -8.64 3.58 0.44 0.59 1.02 0.09 -5.07 118.68 110.69 2f05 s LEU 80 Ca -0.06 1.47 -0.14 0.00 0.02 0.00 0.00 54.13 55.42 2f05 s LEU 80 Cb 0.14 -4.42 -0.08 0.00 0.02 0.00 0.00 46.19 41.85 2f05 s LEU 80 CO 0.78 -0.61 0.86 -2.16 0.02 0.00 0.00 176.35 175.25 2f05 s PRO 81 N -4.24 3.91 -1.89 1.29 0.04 -1.26 -4.39 135.00 128.46 2f05 s PRO 81 Ca 0.57 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2f05 s PRO 81 Cb -0.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2f05 s PRO 81 CO 0.35 -0.10 0.00 0.39 0.04 0.00 0.00 177.00 177.68 2f05 n GLU 82 N -1.24 -1.50 0.17 4.56 1.02 -1.26 -4.81 120.64 117.58 2f05 n GLU 82 Ca 0.05 1.05 0.13 0.00 -0.02 0.00 0.00 57.16 58.37 2f05 n GLU 82 Cb 0.54 -5.47 0.49 0.00 -0.02 0.00 0.00 31.44 26.97 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 h ALA 83 N 0.40 1.00 0.00 0.62 0.00 -1.81 -1.79 119.26 117.68 2f05 h ALA 83 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2f05 h ALA 83 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2f05 h ALA 83 CO 0.55 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.67 2f05 h LYS 84 N 0.00 0.00 -0.00 0.00 1.57 -1.89 -3.51 116.57 112.74 2f05 h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f05 h LYS 84 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2f05 h LYS 84 CO 0.00 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.75