#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 0.29 -2.32 1.62 0.02 -2.12 -3.47 113.55 107.57 2f05 h SER 2 Ca 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2f05 h SER 2 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2f05 h SER 2 CO 0.00 0.97 0.21 -0.67 -1.14 0.00 0.00 176.83 176.20 2f05 n ASP 3 N -3.73 -1.54 -3.52 3.07 -0.08 -1.26 -5.10 116.55 104.39 2f05 n ASP 3 Ca -0.03 -2.05 -0.27 0.00 -1.51 0.00 0.00 54.79 50.93 2f05 n ASP 3 Cb 0.75 2.57 -0.10 0.00 2.34 0.00 0.00 41.12 46.68 2f05 n ASP 3 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2f05 n SER 4 N -1.34 1.30 0.01 1.67 7.64 -1.26 -4.97 113.62 116.67 2f05 n SER 4 Ca -0.06 -2.83 -0.12 0.00 1.01 0.00 0.00 58.87 56.87 2f05 n SER 4 Cb 0.41 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 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 3.91 1.05 -0.34 0.44 2.07 -1.99 0.21 116.25 121.60 2f05 h VAL 5 Ca 0.19 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2f05 h VAL 5 Cb 0.82 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2f05 h VAL 5 CO 0.56 0.04 -0.09 -0.33 0.02 0.00 0.00 177.57 177.76 2f05 h GLU 6 N 0.03 0.58 -0.42 1.57 4.39 -1.99 -1.60 114.58 117.14 2f05 h GLU 6 Ca 0.02 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 2f05 h GLU 6 Cb 0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2f05 h GLU 6 CO -0.00 0.67 -0.02 0.35 -1.16 0.00 0.00 179.01 178.84 2f05 h PHE 7 N 0.53 0.83 -0.67 4.33 3.57 -1.88 -0.47 116.94 123.17 2f05 h PHE 7 Ca 0.10 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.50 2f05 h PHE 7 Cb 0.49 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2f05 h PHE 7 CO 0.02 0.83 0.39 -0.91 -2.23 0.00 0.00 178.31 176.41 2f05 h ASN 8 N 0.59 0.60 -0.46 0.41 2.35 0.09 0.59 115.58 119.75 2f05 h ASN 8 Ca 0.12 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2f05 h ASN 8 Cb 0.52 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 2f05 h ASN 8 CO 0.03 0.40 0.29 0.78 -1.65 0.00 0.00 177.43 177.28 2f05 h ASN 9 N 0.74 0.49 -0.15 5.81 2.35 -1.01 -1.75 115.58 122.07 2f05 h ASN 9 Ca 0.29 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.96 2f05 h ASN 9 Cb 0.13 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2f05 h ASN 9 CO -0.16 0.36 -0.12 0.00 -1.65 0.00 0.00 177.43 175.86 2f05 h ALA 10 N 1.18 1.24 -0.74 -0.83 0.00 0.08 -2.70 119.26 117.49 2f05 h ALA 10 Ca 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2f05 h ALA 10 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2f05 h ALA 10 CO -0.05 0.50 0.31 0.82 0.00 0.00 0.00 179.25 180.82 2f05 h ILE 11 N 0.47 1.24 -0.77 0.00 1.08 0.97 0.45 117.51 120.96 2f05 h ILE 11 Ca 0.09 -0.75 -0.05 0.00 -0.39 0.00 0.00 64.86 63.76 2f05 h ILE 11 Cb 0.49 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 2f05 h ILE 11 CO 0.03 0.31 0.29 0.28 -0.69 0.00 0.00 178.15 178.37 2f05 h SER 12 N 1.06 1.07 -0.29 1.72 0.02 -1.07 0.59 113.55 116.65 2f05 h SER 12 Ca 0.25 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2f05 h SER 12 Cb 0.18 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2f05 h SER 12 CO -0.02 0.96 -0.13 0.22 -1.14 0.00 0.00 176.83 176.71 2f05 h TYR 13 N 1.11 0.68 -0.05 3.45 3.20 -1.18 -2.15 116.97 122.04 2f05 h TYR 13 Ca 0.25 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2f05 h TYR 13 Cb 0.23 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2f05 h TYR 13 CO 0.02 0.83 0.02 0.28 -1.64 0.00 0.00 178.16 177.67 2f05 h VAL 14 N 0.34 1.14 -0.84 1.81 2.07 0.32 -1.61 116.25 119.47 2f05 h VAL 14 Ca 0.06 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.28 2f05 h VAL 14 Cb 0.65 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2f05 h VAL 14 CO 0.04 0.11 0.55 -1.13 0.02 0.00 0.00 177.57 177.16 2f05 h ASN 15 N -0.08 0.70 -0.13 0.57 -0.73 0.16 0.35 115.58 116.42 2f05 h ASN 15 Ca 0.02 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 2f05 h ASN 15 Cb 0.17 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 2f05 h ASN 15 CO -0.00 0.40 0.07 0.50 -0.37 0.00 0.00 177.43 178.04 2f05 h LYS 16 N 0.77 0.18 0.07 6.67 3.64 -1.09 -0.26 116.57 126.55 2f05 h LYS 16 Ca 0.40 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2f05 h LYS 16 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2f05 h LYS 16 CO -0.16 0.19 -0.05 0.82 -2.27 0.00 0.00 179.45 177.98 2f05 h ILE 17 N 0.12 0.89 -0.81 2.00 2.04 -0.04 -0.40 117.51 121.32 2f05 h ILE 17 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.04 2f05 h ILE 17 Cb 0.06 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2f05 h ILE 17 CO -0.01 0.00 0.40 0.11 0.00 0.00 0.00 178.15 178.65 2f05 h LYS 18 N -0.12 0.58 -0.18 2.37 1.57 -0.18 -1.46 116.57 119.15 2f05 h LYS 18 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2f05 h LYS 18 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2f05 h LYS 18 CO -0.00 0.38 -0.33 1.15 -0.57 0.00 0.00 179.45 180.09 2f05 h THR 19 N 0.60 1.34 0.00 -0.16 2.02 -0.80 -0.63 112.91 115.28 2f05 h THR 19 Ca 0.43 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 2f05 h THR 19 Cb 0.58 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2f05 h THR 19 CO -0.35 0.48 -0.07 0.03 0.37 0.00 0.00 175.52 175.98 2f05 h ARG 20 N 0.20 0.00 -0.36 6.66 2.47 -0.32 -2.58 114.38 120.46 2f05 h ARG 20 Ca 0.01 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.46 2f05 h ARG 20 Cb 0.92 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 28.91 2f05 h ARG 20 CO 0.07 0.07 -0.88 1.19 0.56 0.00 0.00 179.97 180.98 2f05 n PHE 21 N -3.21 1.22 0.02 3.04 3.72 -0.62 -4.86 117.46 116.77 2f05 n PHE 21 Ca 0.00 -1.72 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 2f05 n PHE 21 Cb 0.34 -0.25 0.32 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 1.84 0.44 -0.28 4.37 6.46 -0.68 -0.73 115.31 126.73 2f05 h LEU 22 Ca 0.03 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2f05 h LEU 22 Cb 1.42 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 2f05 h LEU 22 CO 0.31 0.53 -0.19 -0.67 -0.62 0.00 0.00 178.44 177.79 2f05 n ASP 23 N -4.28 0.63 -3.48 1.25 2.03 -1.26 -4.38 116.55 107.05 2f05 n ASP 23 Ca 0.01 -0.58 -0.27 0.00 0.52 0.00 0.00 54.79 54.47 2f05 n ASP 23 Cb 0.25 0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.94 1.34 0.30 -0.67 8.25 -0.28 -4.92 115.22 118.29 2f05 n HIS 24 Ca 0.12 -3.82 0.18 0.00 -0.26 0.00 0.00 57.72 53.94 2f05 n HIS 24 Cb 0.31 -0.30 0.96 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.96 -0.41 0.11 -1.76 -2.06 132.00 131.76 2f05 h PRO 25 Ca 0.18 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.41 2f05 h PRO 25 Cb 0.80 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.83 2f05 h PRO 25 CO 0.59 0.03 0.58 1.05 -0.21 0.00 0.00 178.00 180.04 2f05 h GLU 26 N 0.00 0.88 -0.29 1.05 4.11 -1.91 0.11 114.58 118.53 2f05 h GLU 26 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 2f05 h GLU 26 Cb 0.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2f05 h GLU 26 CO 0.00 0.58 -0.02 0.82 0.07 0.00 0.00 179.01 180.47 2f05 h ILE 27 N 0.90 1.26 -0.03 -1.06 2.04 -1.71 0.29 117.51 119.21 2f05 h ILE 27 Ca 0.48 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2f05 h ILE 27 Cb 0.52 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2f05 h ILE 27 CO -0.28 0.31 -0.07 0.22 0.00 0.00 0.00 178.15 178.34 2f05 h TYR 28 N 0.30 -0.16 -0.44 1.37 3.20 -1.45 -1.92 116.97 117.86 2f05 h TYR 28 Ca 0.08 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 2f05 h TYR 28 Cb 0.46 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2f05 h TYR 28 CO 0.04 -0.10 -0.05 0.00 -1.64 0.00 0.00 178.16 176.41 2f05 h ARG 29 N -0.10 0.82 -0.01 1.82 3.08 -0.58 -0.46 114.38 118.95 2f05 h ARG 29 Ca 0.04 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 2f05 h ARG 29 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2f05 h ARG 29 CO -0.09 0.90 -0.17 0.77 -1.07 0.00 0.00 179.97 180.31 2f05 h SER 30 N 0.65 0.01 0.00 7.04 0.02 -0.28 -1.67 113.55 119.33 2f05 h SER 30 Ca 0.12 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 2f05 h SER 30 Cb 0.57 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.12 2f05 h SER 30 CO 0.03 0.18 -0.65 0.15 -1.14 0.00 0.00 176.83 175.40 2f05 h PHE 31 N 0.01 0.65 -0.99 3.45 3.57 -1.03 -3.35 116.94 119.24 2f05 h PHE 31 Ca 0.00 -0.35 0.16 0.00 3.53 0.00 0.00 57.97 61.30 2f05 h PHE 31 Cb 0.30 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.87 2f05 h PHE 31 CO 0.00 1.18 0.60 -0.07 -2.23 0.00 0.00 178.31 177.79 2f05 h LEU 32 N -0.07 0.81 -1.91 0.59 3.38 -0.18 0.12 115.31 118.06 2f05 h LEU 32 Ca -0.08 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2f05 h LEU 32 Cb 1.36 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2f05 h LEU 32 CO 0.13 0.35 -0.09 1.05 0.09 0.00 0.00 178.44 179.97 2f05 h GLU 33 N 0.84 0.00 -0.02 1.13 4.11 -1.54 -0.26 114.58 118.83 2f05 h GLU 33 Ca 0.54 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.85 2f05 h GLU 33 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2f05 h GLU 33 CO -0.34 0.09 -0.45 0.82 0.07 0.00 0.00 179.01 179.20 2f05 h ILE 34 N 0.00 1.45 -0.65 -1.06 2.04 -0.91 -1.87 117.51 116.51 2f05 h ILE 34 Ca -0.00 -1.95 -0.05 0.00 1.00 0.00 0.00 64.86 63.85 2f05 h ILE 34 Cb 0.16 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 2f05 h ILE 34 CO 0.01 0.56 0.19 0.25 0.00 0.00 0.00 178.15 179.16 2f05 h LEU 35 N -0.20 0.95 -0.64 1.44 7.12 -0.85 0.35 115.31 123.49 2f05 h LEU 35 Ca -0.05 -0.21 -0.10 0.00 0.13 0.00 0.00 57.88 57.65 2f05 h LEU 35 Cb 1.15 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 2f05 h LEU 35 CO 0.09 0.92 -0.01 0.45 -0.13 0.00 0.00 178.44 179.76 2f05 h HIS 36 N 0.94 1.16 -0.79 1.25 3.86 -1.14 -1.27 115.15 119.16 2f05 h HIS 36 Ca 0.21 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2f05 h HIS 36 Cb 0.31 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2f05 h HIS 36 CO 0.02 1.02 0.46 1.15 0.86 0.00 0.00 177.93 181.45 2f05 h THR 37 N 0.97 1.22 0.23 2.45 2.02 -0.67 -0.30 112.91 118.84 2f05 h THR 37 Ca 0.17 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2f05 h THR 37 Cb 0.56 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2f05 h THR 37 CO 0.03 0.24 -0.11 0.22 0.37 0.00 0.00 175.52 176.27 2f05 h TYR 38 N 1.10 -0.28 -0.08 3.16 3.20 0.20 -2.96 116.97 121.30 2f05 h TYR 38 Ca 0.28 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 2f05 h TYR 38 Cb -0.02 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2f05 h TYR 38 CO 0.01 0.02 -0.34 1.96 -1.64 0.00 0.00 178.16 178.17 2f05 h GLN 39 N -0.59 0.15 -0.73 1.82 4.20 -1.12 -2.25 115.11 116.59 2f05 h GLN 39 Ca -0.03 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.72 2f05 h GLN 39 Cb 0.43 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 2f05 h GLN 39 CO 0.05 0.48 0.48 -0.22 -0.67 0.00 0.00 178.83 178.95 2f05 h LYS 40 N 0.13 0.61 0.07 1.46 3.64 -0.96 -1.66 116.57 119.86 2f05 h LYS 40 Ca 0.02 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 2f05 h LYS 40 Cb 0.67 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2f05 h LYS 40 CO 0.05 0.40 -1.45 1.49 -2.27 0.00 0.00 179.45 177.67 2f05 h GLU 41 N 0.63 0.15 0.00 1.90 4.22 -1.26 -3.35 114.58 116.87 2f05 h GLU 41 Ca 0.33 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2f05 h GLU 41 Cb 0.47 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2f05 h GLU 41 CO -0.12 0.98 0.00 1.96 -2.18 0.00 0.00 179.01 179.65 2f05 h GLN 42 N 0.04 0.00 0.00 1.92 1.08 -0.83 -3.24 115.11 114.07 2f05 h GLN 42 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2f05 h GLN 42 Cb 1.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.39 2f05 h GLN 42 CO 0.14 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.30 2f05 n LEU 43 N -2.36 1.96 0.00 1.46 7.99 -1.20 -5.02 117.00 119.84 2f05 n LEU 43 Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 2f05 n LEU 43 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2f05 n LEU 43 CO 0.12 0.00 0.00 1.57 -1.51 0.00 0.00 177.39 177.57 2f05 n HIS 44 N -0.50 0.00 -2.97 -1.77 -0.00 -1.22 -5.11 115.22 103.64 2f05 n HIS 44 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 2f05 n HIS 44 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 0.00 4.71 0.13 3.57 2.01 -1.26 -4.88 115.64 119.92 2f05 s THR 45 Ca 0.00 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.77 2f05 s THR 45 Cb 0.00 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 67.83 2f05 s THR 45 CO 0.00 -1.39 0.00 0.29 -0.69 0.00 0.00 174.62 172.83 2f05 n LYS 46 N 6.60 -0.79 -1.41 4.92 5.02 -1.26 -4.61 118.16 126.63 2f05 n LYS 46 Ca 0.10 0.63 -0.27 0.00 -2.02 0.00 0.00 58.31 56.75 2f05 n LYS 46 Cb 0.47 -0.84 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f05 n GLY 47 N -2.14 4.54 3.25 0.72 0.00 -1.26 -4.78 105.19 105.52 2f05 n GLY 47 Ca -0.01 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.15 0.56 -0.33 1.61 3.52 -1.26 -5.10 118.95 115.80 2f05 s ARG 48 Ca 0.53 0.13 -0.33 0.00 -0.13 0.00 0.00 55.73 55.92 2f05 s ARG 48 Cb 0.37 0.26 -0.10 0.00 -1.56 0.00 0.00 34.95 33.92 2f05 s ARG 48 CO -0.19 -0.13 2.21 -0.35 -0.81 0.00 0.00 175.30 176.04 2f05 n PRO 49 N 2.00 1.24 -3.27 5.12 -0.04 -1.26 -4.88 135.00 133.91 2f05 n PRO 49 Ca -0.18 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 2f05 n PRO 49 Cb 0.57 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 2f05 n PRO 49 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f05 s PHE 50 N 7.70 -1.13 -0.02 0.54 5.36 -1.26 -5.15 117.98 124.01 2f05 s PHE 50 Ca 1.08 1.41 0.04 0.00 -0.96 0.00 0.00 56.93 58.50 2f05 s PHE 50 Cb -0.74 0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 42.39 2f05 s PHE 50 CO 0.45 -0.60 -0.13 1.03 -1.46 0.00 0.00 175.22 174.51 2f05 s ARG 51 N 2.82 2.44 0.44 10.12 1.81 -1.26 -4.55 118.95 130.78 2f05 s ARG 51 Ca 0.07 -0.75 0.06 0.00 -1.72 0.00 0.00 55.73 53.39 2f05 s ARG 51 Cb -0.12 -2.38 -0.05 0.00 -0.45 0.00 0.00 34.95 31.96 2f05 s ARG 51 CO -0.17 0.61 0.12 0.20 -0.68 0.00 0.00 175.30 175.37 2f05 s GLY 52 N -1.03 2.51 -0.06 -3.53 0.00 -1.26 -4.96 107.32 98.99 2f05 s GLY 52 Ca 0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.02 2f05 s GLY 52 CO 0.03 -2.02 0.07 -0.13 0.00 0.00 0.00 173.10 171.05 2f05 n MET 53 N -1.22 -0.63 -2.39 2.90 0.00 -1.26 -4.91 117.12 109.61 2f05 n MET 53 Ca -0.05 0.96 -0.35 0.00 -0.00 0.00 0.00 57.70 58.26 2f05 n MET 53 Cb 0.66 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.48 2f05 n MET 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2f05 s SER 54 N -1.09 6.11 0.55 6.12 0.01 -1.26 -4.88 113.70 119.25 2f05 s SER 54 Ca 0.04 2.09 0.31 0.00 1.31 0.00 0.00 55.95 59.69 2f05 s SER 54 Cb -0.00 -2.58 1.58 0.00 0.21 0.00 0.00 66.02 65.22 2f05 s SER 54 CO 0.14 -0.95 2.10 1.05 0.41 0.00 0.00 173.24 175.99 2f05 h GLU 55 N 1.57 0.00 -0.19 12.44 9.09 -1.95 -1.02 114.58 134.53 2f05 h GLU 55 Ca -0.50 0.00 0.04 0.00 0.05 0.00 0.00 59.36 58.95 2f05 h GLU 55 Cb 1.24 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.31 2f05 h GLU 55 CO 0.59 0.09 -0.03 1.49 0.05 0.00 0.00 179.01 181.19 2f05 h GLU 56 N 0.00 0.02 0.00 1.06 4.57 -1.90 0.51 114.58 118.84 2f05 h GLU 56 Ca -0.00 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2f05 h GLU 56 Cb 0.31 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2f05 h GLU 56 CO 0.01 0.01 -0.54 1.05 -1.18 0.00 0.00 179.01 178.36 2f05 h GLU 57 N 0.02 0.00 0.38 1.92 4.11 -1.59 -0.56 114.58 118.87 2f05 h GLU 57 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 2f05 h GLU 57 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2f05 h GLU 57 CO -0.18 0.54 -0.18 0.28 0.07 0.00 0.00 179.01 179.53 2f05 h VAL 58 N 0.00 0.63 -0.88 -1.06 2.07 -0.92 -1.98 116.25 114.12 2f05 h VAL 58 Ca -0.01 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2f05 h VAL 58 Cb 0.96 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2f05 h VAL 58 CO 0.07 0.04 0.57 0.15 0.02 0.00 0.00 177.57 178.42 2f05 h PHE 59 N -0.62 1.02 0.14 1.57 3.57 0.34 -1.79 116.94 121.17 2f05 h PHE 59 Ca -0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 59 Cb 0.45 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2f05 h PHE 59 CO -0.03 0.55 -0.20 1.15 -2.23 0.00 0.00 178.31 177.55 2f05 h THR 60 N 1.02 0.54 -0.24 4.41 2.02 -0.79 0.44 112.91 120.32 2f05 h THR 60 Ca 0.37 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.42 2f05 h THR 60 Cb 0.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2f05 h THR 60 CO -0.13 0.00 -0.38 -0.33 0.37 0.00 0.00 175.52 175.06 2f05 h GLU 61 N -0.40 0.53 -0.15 6.66 5.08 -0.71 0.76 114.58 126.35 2f05 h GLU 61 Ca 0.02 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 2f05 h GLU 61 Cb 0.41 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2f05 h GLU 61 CO -0.10 0.83 -0.57 0.28 -1.00 0.00 0.00 179.01 178.45 2f05 h VAL 62 N 0.45 1.32 -0.03 3.13 2.07 -1.16 -0.59 116.25 121.44 2f05 h VAL 62 Ca 0.04 -1.82 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 2f05 h VAL 62 Cb 0.86 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2f05 h VAL 62 CO 0.07 0.57 -0.40 0.00 0.02 0.00 0.00 177.57 177.82 2f05 h ALA 63 N 0.54 1.27 -0.06 1.67 0.00 0.07 -0.14 119.26 122.61 2f05 h ALA 63 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2f05 h ALA 63 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2f05 h ALA 63 CO 0.12 0.53 -0.45 -0.97 0.00 0.00 0.00 179.25 178.48 2f05 h ASN 64 N 0.05 0.16 0.22 0.00 -1.24 -0.71 -1.87 115.58 112.20 2f05 h ASN 64 Ca 0.00 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 2f05 h ASN 64 Cb 0.74 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.75 2f05 h ASN 64 CO 0.06 0.60 -0.11 0.25 -1.29 0.00 0.00 177.43 176.93 2f05 h LEU 65 N 0.12 -0.26 -3.75 0.34 7.12 0.03 -3.30 115.31 115.61 2f05 h LEU 65 Ca 0.01 -0.15 -0.51 0.00 0.13 0.00 0.00 57.88 57.36 2f05 h LEU 65 Cb 0.85 0.07 -0.22 0.00 -0.53 0.00 0.00 40.66 40.83 2f05 h LEU 65 CO 0.07 0.25 0.67 0.49 -0.13 0.00 0.00 178.44 179.79 2f05 n PHE 66 N -4.97 2.48 -1.55 1.25 3.72 -0.17 -4.94 117.46 113.28 2f05 n PHE 66 Ca -0.06 -2.50 -0.43 0.00 -0.05 0.00 0.00 57.45 54.41 2f05 n PHE 66 Cb 0.20 -1.21 -0.04 0.00 -0.94 0.00 0.00 39.48 37.48 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 -0.39 1.53 0.00 -1.08 1.85 -0.70 -0.69 116.66 117.18 2f05 n ARG 67 Ca 0.48 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 2f05 n ARG 67 Cb 0.68 -3.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.03 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 3.23 2.74 2.89 0.00 -1.26 -4.98 105.19 113.83 2f05 n GLY 68 Ca 0.35 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 2.76 0.16 1.61 1.13 0.13 -4.65 117.38 118.52 2f05 n GLN 69 Ca 0.00 -2.48 0.04 0.00 -1.94 0.00 0.00 57.00 52.62 2f05 n GLN 69 Cb 0.00 -3.21 0.45 0.00 0.11 0.00 0.00 30.24 27.59 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 6.13 0.16 -0.61 -1.09 5.08 -1.94 -1.01 114.58 121.29 2f05 h GLU 70 Ca 0.58 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.86 2f05 h GLU 70 Cb 0.61 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2f05 h GLU 70 CO 1.89 0.28 0.19 0.22 -1.00 0.00 0.00 179.01 180.59 2f05 h ASP 71 N 0.15 0.86 -0.17 1.42 3.58 -1.95 0.16 116.42 120.47 2f05 h ASP 71 Ca 0.03 -0.14 -0.20 0.00 0.42 0.00 0.00 57.03 57.15 2f05 h ASP 71 Cb 0.30 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2f05 h ASP 71 CO 0.02 0.81 -0.63 -0.07 -2.88 0.00 0.00 179.24 176.48 2f05 h LEU 72 N 0.90 0.90 -1.13 2.28 3.38 -1.60 -2.67 115.31 117.37 2f05 h LEU 72 Ca 0.20 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2f05 h LEU 72 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2f05 h LEU 72 CO -0.01 1.31 -0.24 -0.07 0.09 0.00 0.00 178.44 179.52 2f05 h LEU 73 N 0.58 0.31 -0.18 1.67 3.38 -0.81 -0.34 115.31 119.93 2f05 h LEU 73 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 73 Cb 1.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2f05 h LEU 73 CO 0.13 0.56 0.06 0.28 0.09 0.00 0.00 178.44 179.56 2f05 h SER 74 N 0.29 0.26 0.07 -0.43 0.02 -0.57 -1.59 113.55 111.59 2f05 h SER 74 Ca 0.05 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 2f05 h SER 74 Cb 0.59 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2f05 h SER 74 CO 0.04 0.39 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.35 2f05 h GLU 75 N 0.12 0.45 -0.83 3.45 5.08 -1.08 -2.31 114.58 119.46 2f05 h GLU 75 Ca 0.06 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2f05 h GLU 75 Cb 0.22 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2f05 h GLU 75 CO -0.00 0.81 0.53 0.35 -1.00 0.00 0.00 179.01 179.70 2f05 h PHE 76 N 0.37 1.00 0.00 4.33 3.57 -0.97 -1.23 116.94 124.01 2f05 h PHE 76 Ca 0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 76 Cb 0.92 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2f05 h PHE 76 CO 0.03 0.57 -0.34 0.78 -2.23 0.00 0.00 178.31 177.13 2f05 h GLY 77 N 1.04 0.00 0.87 2.40 0.00 -0.81 -0.55 103.07 106.02 2f05 h GLY 77 Ca 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 2f05 h GLY 77 CO -0.11 0.00 0.02 -1.61 0.00 0.00 0.00 176.54 174.84 2f05 h GLN 78 N 0.00 0.47 0.00 4.80 4.15 -0.73 -3.07 115.11 120.72 2f05 h GLN 78 Ca -0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 2f05 h GLN 78 Cb 0.62 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2f05 h GLN 78 CO 0.04 0.61 -0.38 0.74 -1.93 0.00 0.00 178.83 177.92 2f05 h PHE 79 N 0.27 0.00 -3.14 3.99 0.04 -0.88 -3.45 116.94 113.77 2f05 h PHE 79 Ca 0.08 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.28 2f05 h PHE 79 Cb 0.38 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2f05 h PHE 79 CO 0.03 0.38 -0.29 -0.51 -0.60 0.00 0.00 178.31 177.31 2f05 s LEU 80 N -7.84 4.24 0.17 1.54 1.02 -0.25 -5.07 118.68 112.49 2f05 s LEU 80 Ca -0.02 0.59 -0.30 0.00 0.02 0.00 0.00 54.13 54.42 2f05 s LEU 80 Cb 0.13 -3.33 -0.08 0.00 0.02 0.00 0.00 46.19 42.94 2f05 s LEU 80 CO 0.71 0.02 1.18 -2.16 0.02 0.00 0.00 176.35 176.12 2f05 s PRO 81 N -2.80 4.50 -1.42 1.29 0.04 -1.26 -4.02 135.00 131.33 2f05 s PRO 81 Ca 0.41 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 2f05 s PRO 81 Cb -0.12 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2f05 s PRO 81 CO 0.25 -0.08 1.09 0.39 0.04 0.00 0.00 177.00 178.69 2f05 n GLU 82 N 2.63 -7.08 0.26 4.56 1.02 -1.26 -4.86 120.64 115.91 2f05 n GLU 82 Ca 0.05 0.76 0.14 0.00 -0.02 0.00 0.00 57.16 58.09 2f05 n GLU 82 Cb 0.45 -5.76 0.64 0.00 -0.02 0.00 0.00 31.44 26.75 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 1.00 1.07 0.00 0.62 0.00 -1.80 -1.22 119.26 118.94 2f05 h ALA 83 Ca -0.57 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2f05 h ALA 83 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2f05 h ALA 83 CO 0.59 0.14 0.00 0.87 0.00 0.00 0.00 179.25 180.86 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2f05 h LYS 84 CO 0.01 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.76