#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 0.82 -3.87 -1.84 0.87 -2.11 -3.42 113.55 104.00 2f05 h SER 2 Ca 0.00 -0.55 -0.69 0.00 -1.23 0.00 0.00 61.79 59.33 2f05 h SER 2 Cb 0.00 -0.24 -0.30 0.00 -0.44 0.00 0.00 62.40 61.42 2f05 h SER 2 CO 0.00 1.33 -0.86 -0.62 -0.53 0.00 0.00 176.83 176.16 2f05 s ASP 3 N -7.09 3.31 -0.45 6.23 2.15 -1.26 -5.07 116.67 114.48 2f05 s ASP 3 Ca -0.09 -0.45 -0.05 0.00 0.43 0.00 0.00 52.55 52.39 2f05 s ASP 3 Cb 0.09 -0.99 0.12 0.00 -0.30 0.00 0.00 42.92 41.84 2f05 s ASP 3 CO 0.89 0.24 0.28 -0.44 -0.17 0.00 0.00 175.17 175.97 2f05 s SER 4 N -0.12 5.40 0.06 -0.34 0.01 -1.26 -4.99 113.70 112.46 2f05 s SER 4 Ca -0.04 -2.10 -0.27 0.00 1.31 0.00 0.00 55.95 54.85 2f05 s SER 4 Cb -0.14 -1.89 -0.17 0.00 0.21 0.00 0.00 66.02 64.03 2f05 s SER 4 CO 0.04 -0.57 1.59 0.58 0.41 0.00 0.00 173.24 175.29 2f05 h VAL 5 N 6.16 0.71 -0.38 3.43 2.07 -1.98 0.55 116.25 126.82 2f05 h VAL 5 Ca -0.14 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2f05 h VAL 5 Cb 1.04 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2f05 h VAL 5 CO 0.75 0.03 0.05 -0.08 0.02 0.00 0.00 177.57 178.34 2f05 h GLU 6 N -0.49 0.58 -0.19 1.57 4.81 -1.99 0.63 114.58 119.49 2f05 h GLU 6 Ca -0.04 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2f05 h GLU 6 Cb 0.37 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2f05 h GLU 6 CO 0.07 0.56 -0.05 0.35 -0.73 0.00 0.00 179.01 179.22 2f05 h PHE 7 N 0.56 0.42 -0.30 0.92 3.57 -1.91 -1.09 116.94 119.11 2f05 h PHE 7 Ca 0.12 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 7 Cb 0.28 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2f05 h PHE 7 CO 0.01 0.63 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.79 2f05 h ASN 8 N 0.09 0.43 0.00 0.41 2.35 0.79 0.53 115.58 120.19 2f05 h ASN 8 Ca 0.05 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2f05 h ASN 8 Cb 0.49 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2f05 h ASN 8 CO 0.02 0.52 -0.00 0.78 -1.65 0.00 0.00 177.43 177.09 2f05 h ASN 9 N 0.44 -0.01 -0.57 5.81 2.35 -0.74 -0.46 115.58 122.40 2f05 h ASN 9 Ca 0.10 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2f05 h ASN 9 Cb 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2f05 h ASN 9 CO 0.01 0.04 0.32 0.00 -1.65 0.00 0.00 177.43 176.15 2f05 h ALA 10 N 0.95 0.74 -0.67 -0.83 0.00 -0.13 -1.84 119.26 117.47 2f05 h ALA 10 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2f05 h ALA 10 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2f05 h ALA 10 CO 0.00 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.39 2f05 h ILE 11 N 0.62 1.23 -0.84 0.00 1.08 0.27 0.30 117.51 120.17 2f05 h ILE 11 Ca 0.24 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2f05 h ILE 11 Cb 0.10 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 2f05 h ILE 11 CO -0.14 0.27 0.47 0.28 -0.69 0.00 0.00 178.15 178.34 2f05 h SER 12 N 0.93 1.04 -0.48 1.72 0.02 -0.68 0.41 113.55 116.51 2f05 h SER 12 Ca 0.23 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2f05 h SER 12 Cb 0.14 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2f05 h SER 12 CO -0.03 0.83 -0.21 1.88 -1.14 0.00 0.00 176.83 178.17 2f05 h TYR 13 N 1.17 1.13 -0.18 3.45 -1.99 -0.65 -0.48 116.97 119.42 2f05 h TYR 13 Ca 0.30 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2f05 h TYR 13 Cb 0.02 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.47 2f05 h TYR 13 CO 0.00 1.10 0.08 0.28 -0.00 0.00 0.00 178.16 179.62 2f05 h VAL 14 N 0.84 1.15 -0.95 -2.88 2.07 0.28 0.16 116.25 116.92 2f05 h VAL 14 Ca 0.11 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2f05 h VAL 14 Cb 0.79 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2f05 h VAL 14 CO 0.07 0.14 0.62 -1.13 0.02 0.00 0.00 177.57 177.28 2f05 h ASN 15 N 0.14 0.94 -0.46 0.57 -0.73 -0.13 0.97 115.58 116.87 2f05 h ASN 15 Ca 0.06 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.19 2f05 h ASN 15 Cb 0.15 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 2f05 h ASN 15 CO -0.01 0.57 0.05 0.50 -0.37 0.00 0.00 177.43 178.18 2f05 h LYS 16 N 1.05 0.78 -0.54 6.67 3.64 -0.57 -2.32 116.57 125.27 2f05 h LYS 16 Ca 0.43 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2f05 h LYS 16 Cb 0.28 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2f05 h LYS 16 CO -0.18 0.80 0.29 0.82 -2.27 0.00 0.00 179.45 178.91 2f05 h ILE 17 N 0.64 0.98 -0.68 2.00 2.04 0.50 0.31 117.51 123.28 2f05 h ILE 17 Ca 0.14 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 65.93 2f05 h ILE 17 Cb 0.42 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 2f05 h ILE 17 CO 0.01 0.10 0.24 0.11 0.00 0.00 0.00 178.15 178.62 2f05 h LYS 18 N 0.56 0.39 -0.04 2.37 1.57 -0.52 0.10 116.57 121.00 2f05 h LYS 18 Ca 0.24 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 2f05 h LYS 18 Cb 0.12 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.36 2f05 h LYS 18 CO -0.15 0.26 -0.65 1.15 -0.57 0.00 0.00 179.45 179.49 2f05 h THR 19 N 0.40 1.37 0.00 -0.16 2.02 -0.88 -2.06 112.91 113.60 2f05 h THR 19 Ca 0.36 -2.02 -0.08 0.00 0.77 0.00 0.00 66.41 65.45 2f05 h THR 19 Cb 0.52 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2f05 h THR 19 CO -0.38 0.60 -0.36 0.03 0.37 0.00 0.00 175.52 175.78 2f05 h ARG 20 N 0.09 0.00 -0.38 6.66 2.47 0.19 -2.61 114.38 120.79 2f05 h ARG 20 Ca -0.07 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.36 2f05 h ARG 20 Cb 1.33 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.39 2f05 h ARG 20 CO 0.13 0.36 -0.74 1.19 0.56 0.00 0.00 179.97 181.48 2f05 n PHE 21 N -3.96 1.38 -0.07 3.04 3.72 0.31 -4.79 117.46 117.09 2f05 n PHE 21 Ca -0.02 -1.82 -0.01 0.00 -0.05 0.00 0.00 57.45 55.56 2f05 n PHE 21 Cb 0.42 -0.28 0.27 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.68 0.63 -0.04 4.37 6.46 -0.96 -2.03 115.31 125.41 2f05 h LEU 22 Ca 0.14 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2f05 h LEU 22 Cb 1.33 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2f05 h LEU 22 CO 0.37 0.61 0.00 0.44 -0.62 0.00 0.00 178.44 179.25 2f05 h ASP 23 N 0.67 0.00 -3.37 1.25 3.32 -1.84 -3.39 116.42 113.06 2f05 h ASP 23 Ca 0.15 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.60 2f05 h ASP 23 Cb 0.23 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.38 2f05 h ASP 23 CO -0.01 0.00 -0.75 -1.00 -1.72 0.00 0.00 179.24 175.77 2f05 s HIS 24 N -3.14 1.96 0.49 4.55 3.76 -0.76 -4.94 115.29 117.20 2f05 s HIS 24 Ca 0.09 -2.43 0.18 0.00 -0.15 0.00 0.00 55.06 52.76 2f05 s HIS 24 Cb 0.10 -1.83 1.21 0.00 1.11 0.00 0.00 32.58 33.18 2f05 s HIS 24 CO 0.61 -0.77 2.03 -1.35 -0.85 0.00 0.00 174.74 174.40 2f05 h PRO 25 N 6.61 0.17 -1.00 8.40 0.11 -1.77 -2.22 132.00 142.29 2f05 h PRO 25 Ca 0.02 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.26 2f05 h PRO 25 Cb 0.92 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.90 2f05 h PRO 25 CO 0.48 0.11 0.62 1.05 -0.21 0.00 0.00 178.00 180.05 2f05 h GLU 26 N 0.17 0.88 -0.24 1.05 4.11 -1.92 0.03 114.58 118.67 2f05 h GLU 26 Ca 0.20 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.50 2f05 h GLU 26 Cb 0.57 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2f05 h GLU 26 CO -0.03 0.58 -0.16 0.82 0.07 0.00 0.00 179.01 180.30 2f05 h ILE 27 N 0.91 1.31 -0.23 -1.06 2.04 -1.73 0.14 117.51 118.88 2f05 h ILE 27 Ca 0.52 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 65.12 2f05 h ILE 27 Cb 0.63 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2f05 h ILE 27 CO -0.29 0.39 0.13 0.22 0.00 0.00 0.00 178.15 178.60 2f05 h TYR 28 N 0.24 0.25 -0.46 1.37 3.20 -1.47 -1.10 116.97 118.99 2f05 h TYR 28 Ca 0.05 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2f05 h TYR 28 Cb 0.68 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2f05 h TYR 28 CO 0.07 0.15 -0.04 0.00 -1.64 0.00 0.00 178.16 176.70 2f05 h ARG 29 N 0.28 0.78 0.00 1.82 3.08 -0.85 -0.97 114.38 118.53 2f05 h ARG 29 Ca 0.09 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2f05 h ARG 29 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2f05 h ARG 29 CO -0.04 0.82 -0.38 0.77 -1.07 0.00 0.00 179.97 180.07 2f05 h SER 30 N 0.73 0.00 -0.07 7.04 0.02 -0.24 -2.36 113.55 118.67 2f05 h SER 30 Ca 0.14 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 2f05 h SER 30 Cb 0.50 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 2f05 h SER 30 CO 0.03 0.38 -0.53 0.15 -1.14 0.00 0.00 176.83 175.71 2f05 h PHE 31 N 0.00 0.67 -0.80 3.45 3.57 -0.62 -3.28 116.94 119.94 2f05 h PHE 31 Ca -0.00 -0.31 0.14 0.00 3.53 0.00 0.00 57.97 61.32 2f05 h PHE 31 Cb 0.68 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 2f05 h PHE 31 CO 0.00 1.10 0.53 -0.07 -2.23 0.00 0.00 178.31 177.64 2f05 h LEU 32 N 0.05 0.52 -0.99 0.59 3.38 -0.70 0.35 115.31 118.50 2f05 h LEU 32 Ca -0.05 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2f05 h LEU 32 Cb 1.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2f05 h LEU 32 CO 0.11 0.28 -0.49 1.05 0.09 0.00 0.00 178.44 179.48 2f05 h GLU 33 N 0.56 0.03 -0.15 1.13 4.11 -1.50 0.66 114.58 119.42 2f05 h GLU 33 Ca 0.39 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.71 2f05 h GLU 33 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2f05 h GLU 33 CO -0.15 0.51 -0.27 0.82 0.07 0.00 0.00 179.01 180.00 2f05 h ILE 34 N 0.02 1.36 -0.34 -1.06 2.04 -1.02 0.59 117.51 119.11 2f05 h ILE 34 Ca -0.00 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.25 2f05 h ILE 34 Cb 0.88 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2f05 h ILE 34 CO 0.07 0.45 -0.18 0.25 0.00 0.00 0.00 178.15 178.74 2f05 h LEU 35 N 0.06 0.61 -0.00 1.44 7.12 -1.14 0.14 115.31 123.55 2f05 h LEU 35 Ca 0.01 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.83 2f05 h LEU 35 Cb 0.85 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 2f05 h LEU 35 CO 0.06 0.80 0.00 -0.74 -0.13 0.00 0.00 178.44 178.43 2f05 h HIS 36 N 0.55 0.00 0.00 1.25 2.76 -0.66 -1.35 115.15 117.71 2f05 h HIS 36 Ca 0.09 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 2f05 h HIS 36 Cb 0.62 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2f05 h HIS 36 CO 0.03 0.18 -0.47 0.00 -1.30 0.00 0.00 177.93 176.37 2f05 h THR 37 N -0.18 1.16 -0.11 6.26 1.03 -0.67 -2.53 112.91 117.86 2f05 h THR 37 Ca 0.00 -1.71 -0.00 0.00 -0.01 0.00 0.00 66.41 64.69 2f05 h THR 37 Cb 0.18 1.97 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2f05 h THR 37 CO -0.00 0.46 0.06 0.22 -0.01 0.00 0.00 175.52 176.25 2f05 h TYR 38 N 0.00 0.16 0.00 0.00 3.20 -0.45 -0.86 116.97 119.02 2f05 h TYR 38 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2f05 h TYR 38 Cb 0.93 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2f05 h TYR 38 CO 0.00 0.21 -0.21 1.96 -1.64 0.00 0.00 178.16 178.48 2f05 h GLN 39 N 0.07 0.00 -0.06 1.82 1.08 -1.01 0.14 115.11 117.16 2f05 h GLN 39 Ca 0.04 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2f05 h GLN 39 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2f05 h GLN 39 CO -0.01 0.21 -0.12 -0.22 -0.95 0.00 0.00 178.83 177.75 2f05 h LYS 40 N 0.00 0.18 0.00 1.46 3.11 -1.00 -2.99 116.57 117.33 2f05 h LYS 40 Ca -0.00 -0.12 -0.22 0.00 -2.81 0.00 0.00 60.65 57.51 2f05 h LYS 40 Cb 0.59 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 2f05 h LYS 40 CO 0.03 0.70 -1.24 0.93 -2.81 0.00 0.00 179.45 177.06 2f05 h GLU 41 N -0.32 0.00 -0.21 1.90 4.39 -0.92 -3.32 114.58 116.10 2f05 h GLU 41 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2f05 h GLU 41 Cb 0.70 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2f05 h GLU 41 CO 0.03 0.63 -0.35 1.96 -1.16 0.00 0.00 179.01 180.12 2f05 h GLN 42 N 0.00 0.44 -6.72 2.33 1.08 -0.85 -3.43 115.11 107.96 2f05 h GLN 42 Ca -0.13 -0.20 -0.49 0.00 -1.45 0.00 0.00 58.65 56.39 2f05 h GLN 42 Cb 1.77 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 29.21 2f05 h GLN 42 CO 0.09 0.73 -0.04 -0.51 -0.95 0.00 0.00 178.83 178.16 2f05 s LEU 43 N -8.49 3.83 -0.74 1.46 2.01 -1.13 -5.00 118.68 110.61 2f05 s LEU 43 Ca -0.06 0.71 -0.22 0.00 0.01 0.00 0.00 54.13 54.57 2f05 s LEU 43 Cb 0.13 -3.62 0.08 0.00 0.01 0.00 0.00 46.19 42.80 2f05 s LEU 43 CO 0.80 -0.43 1.04 -1.00 1.01 0.00 0.00 176.35 177.77 2f05 s HIS 44 N -2.51 2.75 -0.66 0.29 3.76 -1.26 -4.81 115.29 112.85 2f05 s HIS 44 Ca 0.44 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 2f05 s HIS 44 Cb -0.10 -4.33 0.17 0.00 1.11 0.00 0.00 32.58 29.44 2f05 s HIS 44 CO 0.40 -1.65 0.49 0.25 -0.85 0.00 0.00 174.74 173.38 2f05 n THR 45 N 5.90 1.23 0.00 1.30 -2.24 -1.26 -4.95 114.28 114.26 2f05 n THR 45 Ca 0.05 -4.67 0.00 0.00 -2.27 0.00 0.00 64.05 57.16 2f05 n THR 45 Cb 0.47 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 2f05 n THR 45 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2f05 n LYS 46 N 2.03 0.00 0.00 -0.78 2.85 -1.26 -4.72 118.16 116.27 2f05 n LYS 46 Ca 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2f05 n LYS 46 Cb 0.37 -0.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.65 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2f05 n GLY 47 N 0.00 2.45 3.79 2.58 0.00 -1.26 -5.04 105.19 107.71 2f05 n GLY 47 Ca 0.00 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 2f05 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f05 s ARG 48 N -4.75 3.82 -0.39 1.61 1.81 -1.24 -4.93 118.95 114.88 2f05 s ARG 48 Ca 0.00 1.45 -0.27 0.00 -1.72 0.00 0.00 55.73 55.19 2f05 s ARG 48 Cb 0.00 -2.19 -0.06 0.00 -0.45 0.00 0.00 34.95 32.25 2f05 s ARG 48 CO 0.00 -0.43 2.32 -2.14 -0.68 0.00 0.00 175.30 174.37 2f05 s PRO 49 N -3.05 2.51 -1.55 3.54 0.02 -1.26 -2.80 135.00 132.40 2f05 s PRO 49 Ca 0.66 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2f05 s PRO 49 Cb -0.19 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.83 2f05 s PRO 49 CO 0.23 -2.82 0.00 1.19 -0.33 0.00 0.00 177.00 175.28 2f05 n PHE 50 N 14.22 -1.13 -3.70 6.54 3.72 -1.26 -4.93 117.46 130.92 2f05 n PHE 50 Ca 0.34 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.59 2f05 n PHE 50 Cb 0.51 -3.58 -0.08 0.00 -0.94 0.00 0.00 39.48 35.38 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2f05 s ARG 51 N -5.04 0.73 0.26 -1.08 6.06 -1.12 -5.16 118.95 113.60 2f05 s ARG 51 Ca 0.00 0.08 0.04 0.00 -2.50 0.00 0.00 55.73 53.35 2f05 s ARG 51 Cb 0.00 0.34 -0.05 0.00 0.06 0.00 0.00 34.95 35.29 2f05 s ARG 51 CO 0.00 -0.19 0.02 0.20 -2.50 0.00 0.00 175.30 172.82 2f05 s GLY 52 N -0.97 1.70 -0.59 8.12 0.00 -1.26 -3.63 107.32 110.69 2f05 s GLY 52 Ca -0.10 -1.85 -0.22 0.00 0.00 0.00 0.00 44.72 42.55 2f05 s GLY 52 CO 0.05 -1.70 0.88 -0.29 0.00 0.00 0.00 173.10 172.04 2f05 s MET 53 N -3.88 3.17 0.45 2.90 1.75 -1.26 -5.01 119.30 117.42 2f05 s MET 53 Ca 0.31 -0.71 -0.21 0.00 -1.25 0.00 0.00 55.69 53.84 2f05 s MET 53 Cb 0.06 -4.16 -0.10 0.00 2.84 0.00 0.00 34.83 33.48 2f05 s MET 53 CO 0.11 -1.59 0.98 -1.12 -0.65 0.00 0.00 175.02 172.75 2f05 s SER 54 N 3.25 6.75 0.50 1.11 0.01 -1.26 -4.81 113.70 119.25 2f05 s SER 54 Ca 0.23 1.77 0.18 0.00 1.31 0.00 0.00 55.95 59.44 2f05 s SER 54 Cb -0.17 -2.55 1.24 0.00 0.21 0.00 0.00 66.02 64.75 2f05 s SER 54 CO 0.13 -0.50 2.09 -0.08 0.41 0.00 0.00 173.24 175.29 2f05 h GLU 55 N 1.81 0.00 0.19 12.44 4.81 -1.99 -2.28 114.58 129.58 2f05 h GLU 55 Ca -0.49 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2f05 h GLU 55 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2f05 h GLU 55 CO 0.60 0.09 -0.27 1.49 -0.73 0.00 0.00 179.01 180.19 2f05 h GLU 56 N 0.00 -0.51 0.00 1.92 4.81 -1.98 0.43 114.58 119.25 2f05 h GLU 56 Ca -0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2f05 h GLU 56 Cb 0.17 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2f05 h GLU 56 CO 0.01 -0.34 -0.13 1.05 -0.73 0.00 0.00 179.01 178.87 2f05 h GLU 57 N -0.53 0.00 0.11 1.92 4.11 -1.81 0.10 114.58 118.48 2f05 h GLU 57 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2f05 h GLU 57 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2f05 h GLU 57 CO -0.11 0.13 -0.05 0.28 0.07 0.00 0.00 179.01 179.33 2f05 h VAL 58 N 0.00 0.90 -0.31 -1.06 2.07 -1.10 -3.16 116.25 113.58 2f05 h VAL 58 Ca -0.00 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 2f05 h VAL 58 Cb 0.46 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2f05 h VAL 58 CO 0.02 0.26 0.04 0.15 0.02 0.00 0.00 177.57 178.05 2f05 h PHE 59 N -0.90 0.47 -0.46 1.57 3.57 0.56 -0.92 116.94 120.83 2f05 h PHE 59 Ca -0.02 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.52 2f05 h PHE 59 Cb 0.54 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 2f05 h PHE 59 CO 0.11 0.44 0.13 1.15 -2.23 0.00 0.00 178.31 177.91 2f05 h THR 60 N 0.45 0.81 0.00 4.41 2.02 -0.91 0.60 112.91 120.29 2f05 h THR 60 Ca 0.10 -0.10 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 2f05 h THR 60 Cb 0.23 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2f05 h THR 60 CO 0.00 0.05 -0.84 -0.33 0.37 0.00 0.00 175.52 174.78 2f05 h GLU 61 N 0.28 0.11 -0.30 6.66 4.39 -1.18 0.25 114.58 124.80 2f05 h GLU 61 Ca 0.22 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 2f05 h GLU 61 Cb 0.25 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2f05 h GLU 61 CO -0.25 0.88 -0.53 0.28 -1.16 0.00 0.00 179.01 178.23 2f05 h VAL 62 N 0.06 1.27 0.00 3.13 2.07 -0.84 0.13 116.25 122.07 2f05 h VAL 62 Ca -0.03 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.69 2f05 h VAL 62 Cb 1.46 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2f05 h VAL 62 CO 0.12 0.56 -0.43 0.00 0.02 0.00 0.00 177.57 177.84 2f05 h ALA 63 N 0.69 1.29 -0.02 1.67 0.00 0.36 0.12 119.26 123.36 2f05 h ALA 63 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 63 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2f05 h ALA 63 CO 0.12 0.54 -0.73 -0.97 0.00 0.00 0.00 179.25 178.21 2f05 h ASN 64 N 0.00 0.19 0.29 0.00 -1.24 -0.75 -2.14 115.58 111.93 2f05 h ASN 64 Ca -0.00 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 2f05 h ASN 64 Cb 0.76 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2f05 h ASN 64 CO 0.06 0.85 -0.14 0.25 -1.29 0.00 0.00 177.43 177.16 2f05 h LEU 65 N 0.10 -0.33 -3.98 0.34 7.12 0.01 -3.32 115.31 115.25 2f05 h LEU 65 Ca -0.02 -0.11 -0.66 0.00 0.13 0.00 0.00 57.88 57.22 2f05 h LEU 65 Cb 1.29 0.08 -0.31 0.00 -0.53 0.00 0.00 40.66 41.20 2f05 h LEU 65 CO 0.11 0.15 0.65 0.49 -0.13 0.00 0.00 178.44 179.71 2f05 n PHE 66 N -5.03 3.17 -1.70 1.25 3.72 0.34 -5.00 117.46 114.21 2f05 n PHE 66 Ca -0.06 -2.92 -0.43 0.00 -0.05 0.00 0.00 57.45 53.98 2f05 n PHE 66 Cb 0.21 -1.30 -0.03 0.00 -0.94 0.00 0.00 39.48 37.41 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 -0.89 2.63 0.00 -1.08 1.85 -0.80 -1.07 116.66 117.30 2f05 n ARG 67 Ca 0.60 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 58.41 2f05 n ARG 67 Cb 0.70 -2.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 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 3.97 2.89 2.49 2.89 0.00 -1.26 -4.88 105.19 111.29 2f05 n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.06 4.31 0.29 1.61 1.13 -0.24 -4.67 117.38 119.75 2f05 n GLN 69 Ca 0.00 -3.35 0.19 0.00 -1.94 0.00 0.00 57.00 51.90 2f05 n GLN 69 Cb 0.00 -2.55 0.93 0.00 0.11 0.00 0.00 30.24 28.73 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 4.33 0.00 -0.78 -1.09 5.08 -1.90 -1.09 114.58 119.13 2f05 h GLU 70 Ca 0.65 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 59.10 2f05 h GLU 70 Cb 0.36 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2f05 h GLU 70 CO 1.37 0.00 0.44 0.22 -1.00 0.00 0.00 179.01 180.04 2f05 h ASP 71 N 0.00 0.63 0.01 1.42 3.58 -1.93 0.14 116.42 120.27 2f05 h ASP 71 Ca 0.00 0.05 -0.24 0.00 0.42 0.00 0.00 57.03 57.26 2f05 h ASP 71 Cb 0.24 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.22 2f05 h ASP 71 CO 0.00 0.37 -0.90 -0.07 -2.88 0.00 0.00 179.24 175.76 2f05 h LEU 72 N 0.75 0.84 -0.40 2.28 3.38 -1.57 -3.34 115.31 117.25 2f05 h LEU 72 Ca 0.37 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2f05 h LEU 72 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2f05 h LEU 72 CO -0.24 1.41 -0.02 -0.07 0.09 0.00 0.00 178.44 179.61 2f05 h LEU 73 N 0.42 0.71 -0.08 1.67 3.38 -1.18 -1.90 115.31 118.33 2f05 h LEU 73 Ca -0.08 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2f05 h LEU 73 Cb 1.53 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2f05 h LEU 73 CO 0.18 0.85 -0.03 -1.28 0.09 0.00 0.00 178.44 178.24 2f05 h SER 74 N 0.54 -0.12 -0.10 -0.43 0.87 -1.13 -1.98 113.55 111.20 2f05 h SER 74 Ca 0.11 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 2f05 h SER 74 Cb 0.50 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2f05 h SER 74 CO 0.02 -0.05 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.62 2f05 h GLU 75 N -0.03 0.58 -0.40 2.24 4.39 -1.65 -2.64 114.58 117.08 2f05 h GLU 75 Ca 0.04 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.54 2f05 h GLU 75 Cb 0.09 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2f05 h GLU 75 CO -0.10 0.83 0.09 0.35 -1.16 0.00 0.00 179.01 179.03 2f05 h PHE 76 N 0.50 0.16 0.00 4.33 3.57 -1.01 0.52 116.94 125.00 2f05 h PHE 76 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2f05 h PHE 76 Cb 0.80 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2f05 h PHE 76 CO 0.03 0.03 -0.10 0.78 -2.23 0.00 0.00 178.31 176.82 2f05 h GLY 77 N 0.23 0.00 1.64 2.40 0.00 -1.00 -1.97 103.07 104.36 2f05 h GLY 77 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.27 2f05 h GLY 77 CO -0.24 0.00 -1.25 1.46 0.00 0.00 0.00 176.54 176.51 2f05 h GLN 78 N 0.00 0.10 0.00 4.80 4.20 -1.10 -3.22 115.11 119.89 2f05 h GLN 78 Ca -0.00 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 2f05 h GLN 78 Cb 0.18 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2f05 h GLN 78 CO 0.01 0.98 -0.30 0.35 -0.67 0.00 0.00 178.83 179.21 2f05 h PHE 79 N 0.03 0.00 -3.78 2.96 3.57 -0.33 -3.45 116.94 115.93 2f05 h PHE 79 Ca -0.12 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 60.94 2f05 h PHE 79 Cb 1.89 0.00 0.17 0.00 2.79 0.00 0.00 35.95 40.80 2f05 h PHE 79 CO 0.02 0.30 0.17 -0.51 -2.23 0.00 0.00 178.31 176.07 2f05 s LEU 80 N -7.30 1.37 0.08 0.59 1.02 -0.80 -4.94 118.68 108.70 2f05 s LEU 80 Ca -0.01 1.09 -0.07 0.00 0.02 0.00 0.00 54.13 55.16 2f05 s LEU 80 Cb 0.12 -3.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.10 2f05 s LEU 80 CO 0.67 -3.37 0.11 -2.65 0.02 0.00 0.00 176.35 171.12 2f05 n PRO 81 N -4.32 0.00 0.14 1.29 -0.02 -1.26 -4.91 135.00 125.92 2f05 n PRO 81 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.64 2f05 n PRO 81 Cb 0.58 -0.28 0.05 0.00 -0.02 0.00 0.00 33.50 33.82 2f05 n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2f05 h GLU 82 N 0.22 0.00 -0.35 -0.52 9.09 -1.93 -3.35 114.58 117.73 2f05 h GLU 82 Ca -0.09 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.37 2f05 h GLU 82 Cb 0.41 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.47 2f05 h GLU 82 CO 0.15 0.06 0.08 0.00 0.05 0.00 0.00 179.01 179.36 2f05 h ALA 83 N 1.91 0.38 0.00 1.06 0.00 -2.03 -1.13 119.26 119.45 2f05 h ALA 83 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2f05 h ALA 83 Cb 1.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2f05 h ALA 83 CO 0.01 -0.32 0.00 1.57 0.00 0.00 0.00 179.25 180.51 2f05 h LYS 84 N 0.21 0.00 -0.01 0.00 5.09 -1.96 -3.57 116.57 116.33 2f05 h LYS 84 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.91 2f05 h LYS 84 Cb 0.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.51 2f05 h LYS 84 CO -0.21 0.00 0.00 -2.13 -2.09 0.00 0.00 179.45 175.02