#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 -1.43 -3.86 1.62 7.64 -1.26 -4.77 113.62 111.57 2f05 n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2f05 n SER 2 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 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 -4.00 -0.02 -1.22 6.43 2.15 -1.26 -5.07 116.67 113.69 2f05 s ASP 3 Ca 0.00 0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.92 2f05 s ASP 3 Cb 0.00 0.04 0.19 0.00 -0.30 0.00 0.00 42.92 42.85 2f05 s ASP 3 CO 0.00 -0.02 1.60 -1.54 -0.17 0.00 0.00 175.17 175.04 2f05 n SER 4 N 3.15 5.31 -0.13 -0.34 3.41 -1.26 -4.76 113.62 118.99 2f05 n SER 4 Ca -0.13 -3.08 -0.10 0.00 -0.26 0.00 0.00 58.87 55.30 2f05 n SER 4 Cb 0.59 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.04 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2f05 h VAL 5 N 4.06 1.23 -0.12 -3.33 2.07 -1.98 0.14 116.25 118.33 2f05 h VAL 5 Ca 0.33 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2f05 h VAL 5 Cb 0.75 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2f05 h VAL 5 CO 1.39 0.28 -0.33 -0.33 0.02 0.00 0.00 177.57 178.60 2f05 h GLU 6 N 0.49 0.24 -0.17 1.57 4.39 -1.99 0.17 114.58 119.27 2f05 h GLU 6 Ca 0.12 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2f05 h GLU 6 Cb 0.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2f05 h GLU 6 CO 0.00 0.55 -0.04 0.35 -1.16 0.00 0.00 179.01 178.71 2f05 h PHE 7 N 0.21 0.37 -0.87 4.33 3.57 -1.86 0.11 116.94 122.79 2f05 h PHE 7 Ca 0.03 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.51 2f05 h PHE 7 Cb 0.69 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 2f05 h PHE 7 CO 0.01 0.60 0.54 -0.91 -2.23 0.00 0.00 178.31 176.32 2f05 h ASN 8 N 0.03 0.85 -0.62 0.41 2.35 0.03 0.60 115.58 119.24 2f05 h ASN 8 Ca 0.04 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2f05 h ASN 8 Cb 0.48 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2f05 h ASN 8 CO 0.02 0.55 0.18 0.78 -1.65 0.00 0.00 177.43 177.30 2f05 h ASN 9 N 0.99 0.91 -0.40 5.81 2.35 -0.78 -0.65 115.58 123.80 2f05 h ASN 9 Ca 0.38 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2f05 h ASN 9 Cb 0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2f05 h ASN 9 CO -0.17 0.89 0.06 0.00 -1.65 0.00 0.00 177.43 176.55 2f05 h ALA 10 N 1.06 1.20 -0.24 -0.83 0.00 0.64 -1.96 119.26 119.13 2f05 h ALA 10 Ca 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2f05 h ALA 10 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2f05 h ALA 10 CO -0.00 0.53 0.07 0.82 0.00 0.00 0.00 179.25 180.67 2f05 h ILE 11 N 0.72 1.20 -0.42 0.00 1.08 0.78 0.23 117.51 121.10 2f05 h ILE 11 Ca 0.15 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2f05 h ILE 11 Cb 0.36 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2f05 h ILE 11 CO 0.01 0.21 0.27 0.28 -0.69 0.00 0.00 178.15 178.23 2f05 h SER 12 N 0.21 0.49 0.59 1.72 0.02 -0.89 0.69 113.55 116.37 2f05 h SER 12 Ca 0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2f05 h SER 12 Cb 0.26 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.68 2f05 h SER 12 CO -0.00 0.36 -0.28 0.22 -1.14 0.00 0.00 176.83 175.99 2f05 h TYR 13 N 0.57 -0.73 -0.08 3.45 3.20 -0.88 -2.72 116.97 119.79 2f05 h TYR 13 Ca 0.15 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2f05 h TYR 13 Cb -0.05 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 2f05 h TYR 13 CO 0.00 -0.40 0.05 0.28 -1.64 0.00 0.00 178.16 176.45 2f05 h VAL 14 N -1.05 1.05 -0.87 1.81 2.07 0.11 -2.31 116.25 117.07 2f05 h VAL 14 Ca -0.08 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.41 2f05 h VAL 14 Cb 0.66 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 2f05 h VAL 14 CO 0.13 0.04 0.56 -1.13 0.02 0.00 0.00 177.57 177.20 2f05 h ASN 15 N 0.07 0.79 -0.33 0.57 -1.24 0.27 0.20 115.58 115.93 2f05 h ASN 15 Ca 0.03 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 2f05 h ASN 15 Cb 0.03 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2f05 h ASN 15 CO -0.01 0.48 0.01 0.50 -1.29 0.00 0.00 177.43 177.12 2f05 h LYS 16 N 0.88 0.57 0.11 6.67 3.64 -1.17 -2.25 116.57 125.02 2f05 h LYS 16 Ca 0.39 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2f05 h LYS 16 Cb 0.36 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2f05 h LYS 16 CO -0.16 0.69 -0.17 0.82 -2.27 0.00 0.00 179.45 178.36 2f05 h ILE 17 N 0.38 0.60 -0.53 2.00 2.04 -0.51 0.25 117.51 121.73 2f05 h ILE 17 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 2f05 h ILE 17 Cb 0.43 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 2f05 h ILE 17 CO 0.01 0.00 -0.18 0.11 0.00 0.00 0.00 178.15 178.10 2f05 h LYS 18 N -0.34 -0.05 -0.08 2.37 1.57 -0.54 0.20 116.57 119.70 2f05 h LYS 18 Ca 0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 2f05 h LYS 18 Cb 0.36 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.69 2f05 h LYS 18 CO -0.09 -0.03 -0.69 1.15 -0.57 0.00 0.00 179.45 179.22 2f05 h THR 19 N -0.05 1.34 0.00 -0.16 2.02 -1.27 -2.19 112.91 112.60 2f05 h THR 19 Ca 0.25 -1.98 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 2f05 h THR 19 Cb 0.44 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 2f05 h THR 19 CO -0.57 0.60 -0.38 0.03 0.37 0.00 0.00 175.52 175.57 2f05 h ARG 20 N 0.24 0.00 -0.40 6.66 2.47 0.17 -2.31 114.38 121.20 2f05 h ARG 20 Ca -0.06 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.36 2f05 h ARG 20 Cb 1.34 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.41 2f05 h ARG 20 CO 0.14 0.38 -0.70 1.19 0.56 0.00 0.00 179.97 181.54 2f05 n PHE 21 N -3.93 1.46 0.07 3.04 3.72 -0.00 -4.77 117.46 117.05 2f05 n PHE 21 Ca -0.02 -1.87 0.03 0.00 -0.05 0.00 0.00 57.45 55.55 2f05 n PHE 21 Cb 0.43 -0.29 0.41 0.00 -0.94 0.00 0.00 39.48 39.09 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 1.67 0.34 -0.06 4.37 6.46 -0.79 0.08 115.31 127.38 2f05 h LEU 22 Ca 0.18 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2f05 h LEU 22 Cb 1.31 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2f05 h LEU 22 CO 0.40 0.37 -0.21 -0.67 -0.62 0.00 0.00 178.44 177.71 2f05 n ASP 23 N -4.37 0.31 -3.75 1.25 2.03 -1.26 -4.44 116.55 106.31 2f05 n ASP 23 Ca 0.01 -0.04 -0.28 0.00 0.52 0.00 0.00 54.79 54.99 2f05 n ASP 23 Cb 0.17 -0.12 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 2f05 n ASP 23 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2f05 s HIS 24 N -2.87 2.67 0.12 -0.67 3.76 0.02 -4.95 115.29 113.36 2f05 s HIS 24 Ca 0.17 -2.93 0.34 0.00 -0.15 0.00 0.00 55.06 52.49 2f05 s HIS 24 Cb 0.19 -2.15 1.57 0.00 1.11 0.00 0.00 32.58 33.30 2f05 s HIS 24 CO 0.58 -0.67 2.01 -1.00 -0.85 0.00 0.00 174.74 174.81 2f05 h PRO 25 N 5.78 0.00 -0.60 8.40 0.13 -1.78 -2.80 132.00 141.13 2f05 h PRO 25 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2f05 h PRO 25 Cb 0.83 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 2f05 h PRO 25 CO 0.59 0.00 0.20 1.05 -0.23 0.00 0.00 178.00 179.61 2f05 h GLU 26 N 0.00 0.92 -0.64 0.86 4.11 -1.92 -3.08 114.58 114.83 2f05 h GLU 26 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2f05 h GLU 26 Cb 0.29 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2f05 h GLU 26 CO 0.00 0.82 0.40 0.82 0.07 0.00 0.00 179.01 181.12 2f05 h ILE 27 N 0.85 1.17 -0.18 -1.06 2.04 -1.83 0.53 117.51 119.03 2f05 h ILE 27 Ca 0.19 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2f05 h ILE 27 Cb 0.27 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2f05 h ILE 27 CO -0.01 0.18 0.06 0.22 0.00 0.00 0.00 178.15 178.60 2f05 h TYR 28 N 0.88 0.28 0.01 1.37 3.20 -1.69 -2.44 116.97 118.59 2f05 h TYR 28 Ca 0.23 -0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.82 2f05 h TYR 28 Cb -0.06 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 38.14 2f05 h TYR 28 CO 0.00 0.37 -1.04 0.00 -1.64 0.00 0.00 178.16 175.86 2f05 h ARG 29 N 0.11 0.62 -0.31 1.82 3.08 -1.04 -1.36 114.38 117.30 2f05 h ARG 29 Ca 0.06 -0.68 -0.00 0.00 0.07 0.00 0.00 59.98 59.43 2f05 h ARG 29 Cb 0.22 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2f05 h ARG 29 CO -0.00 1.27 0.17 0.77 -1.07 0.00 0.00 179.97 181.11 2f05 h SER 30 N 0.34 0.37 -0.01 7.04 0.02 -0.03 -1.89 113.55 119.38 2f05 h SER 30 Ca -0.12 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 2f05 h SER 30 Cb 1.69 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 64.14 2f05 h SER 30 CO 0.20 0.30 -0.44 0.15 -1.14 0.00 0.00 176.83 175.89 2f05 h PHE 31 N 0.42 0.47 -0.90 3.45 3.57 -1.28 -3.34 116.94 119.33 2f05 h PHE 31 Ca 0.11 -0.25 0.15 0.00 3.53 0.00 0.00 57.97 61.51 2f05 h PHE 31 Cb 0.01 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 2f05 h PHE 31 CO 0.00 1.05 0.58 -0.07 -2.23 0.00 0.00 178.31 177.64 2f05 h LEU 32 N -0.24 0.65 -1.60 0.59 3.38 -0.53 0.11 115.31 117.68 2f05 h LEU 32 Ca -0.05 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2f05 h LEU 32 Cb 1.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2f05 h LEU 32 CO 0.09 0.32 -0.22 1.05 0.09 0.00 0.00 178.44 179.77 2f05 h GLU 33 N 0.68 0.00 -0.28 1.13 4.11 -1.49 -0.27 114.58 118.46 2f05 h GLU 33 Ca 0.46 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.73 2f05 h GLU 33 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2f05 h GLU 33 CO -0.22 0.22 -0.44 0.82 0.07 0.00 0.00 179.01 179.46 2f05 h ILE 34 N 0.00 1.29 -0.30 -1.06 2.04 -1.10 -0.18 117.51 118.21 2f05 h ILE 34 Ca -0.00 -1.63 -0.16 0.00 1.00 0.00 0.00 64.86 64.07 2f05 h ILE 34 Cb 0.43 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2f05 h ILE 34 CO 0.03 0.53 -0.46 0.25 0.00 0.00 0.00 178.15 178.50 2f05 h LEU 35 N 0.55 0.84 -0.75 1.44 7.12 -1.21 -0.77 115.31 122.54 2f05 h LEU 35 Ca 0.02 -0.41 -0.06 0.00 0.13 0.00 0.00 57.88 57.56 2f05 h LEU 35 Cb 1.04 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.90 2f05 h LEU 35 CO 0.10 1.17 0.22 0.45 -0.13 0.00 0.00 178.44 180.26 2f05 h HIS 36 N 0.62 1.21 0.00 1.25 3.86 -0.94 -2.46 115.15 118.69 2f05 h HIS 36 Ca 0.04 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 2f05 h HIS 36 Cb 1.03 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2f05 h HIS 36 CO 0.06 0.95 -0.39 0.00 0.86 0.00 0.00 177.93 179.41 2f05 h THR 37 N 1.11 0.76 -0.73 2.45 1.03 -0.83 -2.85 112.91 113.85 2f05 h THR 37 Ca 0.24 -1.75 -0.01 0.00 -0.01 0.00 0.00 66.41 64.87 2f05 h THR 37 Cb 0.32 2.14 -0.03 0.00 -1.07 0.00 0.00 68.15 69.51 2f05 h THR 37 CO -0.01 0.38 0.41 0.22 -0.01 0.00 0.00 175.52 176.52 2f05 h TYR 38 N 0.00 1.00 0.00 0.00 3.20 -0.70 -2.18 116.97 118.29 2f05 h TYR 38 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2f05 h TYR 38 Cb 1.11 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 2f05 h TYR 38 CO 0.00 0.70 -0.07 1.96 -1.64 0.00 0.00 178.16 179.11 2f05 h GLN 39 N 1.01 0.00 0.00 1.82 1.08 -1.21 -2.23 115.11 115.57 2f05 h GLN 39 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2f05 h GLN 39 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2f05 h GLN 39 CO -0.04 0.07 0.00 0.87 -0.95 0.00 0.00 178.83 178.78 2f05 h LYS 40 N 0.00 0.00 0.00 1.46 6.56 -1.43 0.39 116.57 123.55 2f05 h LYS 40 Ca -0.00 0.00 -0.39 0.00 -1.06 0.00 0.00 60.65 59.19 2f05 h LYS 40 Cb 0.28 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.87 2f05 h LYS 40 CO 0.01 0.00 -2.48 -1.91 -2.06 0.00 0.00 179.45 173.01 2f05 n GLU 41 N -2.55 0.65 -0.14 3.15 2.13 -0.86 -1.27 120.64 121.74 2f05 n GLU 41 Ca 0.01 0.16 -0.09 0.00 0.66 0.00 0.00 57.16 57.90 2f05 n GLU 41 Cb 0.25 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.43 2f05 n GLU 41 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2f05 h GLN 42 N -0.06 0.63 -4.10 5.31 1.08 -1.37 -2.66 115.11 113.93 2f05 h GLN 42 Ca -0.59 -0.14 -0.77 0.00 -1.45 0.00 0.00 58.65 55.70 2f05 h GLN 42 Cb 1.88 -0.09 -0.23 0.00 -0.05 0.00 0.00 27.48 28.99 2f05 h GLN 42 CO -0.11 0.64 0.83 -0.51 -0.95 0.00 0.00 178.83 178.72 2f05 s LEU 43 N -9.67 5.79 -0.43 1.46 2.01 0.13 -4.98 118.68 113.00 2f05 s LEU 43 Ca -0.13 -3.28 -0.35 0.00 0.01 0.00 0.00 54.13 50.37 2f05 s LEU 43 Cb 0.10 -2.29 -0.13 0.00 0.01 0.00 0.00 46.19 43.88 2f05 s LEU 43 CO 0.76 -0.50 2.24 1.57 1.01 0.00 0.00 176.35 181.43 2f05 n HIS 44 N 4.06 1.45 -3.28 0.29 -0.00 -1.00 -4.42 115.22 112.32 2f05 n HIS 44 Ca 0.29 0.33 -0.38 0.00 -0.00 0.00 0.00 57.72 57.96 2f05 n HIS 44 Cb 0.41 -2.50 -0.06 0.00 -0.00 0.00 0.00 29.99 27.84 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 7.69 5.16 -0.95 3.57 2.01 -0.40 -4.98 115.64 127.74 2f05 s THR 45 Ca 1.12 0.99 -0.24 0.00 0.31 0.00 0.00 61.69 63.86 2f05 s THR 45 Cb -0.91 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 67.68 2f05 s THR 45 CO 0.49 0.28 2.01 -0.54 -0.69 0.00 0.00 174.62 176.18 2f05 s LYS 46 N 0.92 2.35 0.01 4.92 -0.14 -1.26 -4.40 119.74 122.14 2f05 s LYS 46 Ca 0.26 -0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 2f05 s LYS 46 Cb -0.15 -5.06 0.00 0.00 -1.68 0.00 0.00 37.83 30.94 2f05 s LYS 46 CO 0.11 -3.73 0.00 0.41 -0.76 0.00 0.00 175.35 171.38 2f05 n GLY 47 N 6.63 0.10 3.48 -3.33 0.00 -1.26 -5.09 105.19 105.72 2f05 n GLY 47 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.05 1.74 -0.65 1.61 0.52 -1.26 -5.08 118.95 114.77 2f05 s ARG 48 Ca 0.00 -1.55 -0.27 0.00 -0.52 0.00 0.00 55.73 53.39 2f05 s ARG 48 Cb 0.00 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.58 2f05 s ARG 48 CO 0.00 0.38 1.48 -1.25 0.02 0.00 0.00 175.30 175.93 2f05 s PRO 49 N -3.06 3.07 -1.46 3.54 0.04 -1.26 -3.73 135.00 132.15 2f05 s PRO 49 Ca 0.25 0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.41 2f05 s PRO 49 Cb -0.07 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.29 2f05 s PRO 49 CO 0.13 -2.24 0.89 0.34 0.04 0.00 0.00 177.00 176.16 2f05 n PHE 50 N 10.35 -2.35 -3.46 0.56 7.35 -1.26 -4.93 117.46 123.72 2f05 n PHE 50 Ca 0.11 0.79 -0.25 0.00 -0.76 0.00 0.00 57.45 57.33 2f05 n PHE 50 Cb 0.50 -4.34 -0.12 0.00 0.35 0.00 0.00 39.48 35.87 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 -6.20 0.43 0.00 -4.13 6.06 -1.24 -4.92 118.95 108.94 2f05 s ARG 51 Ca 0.51 -0.85 0.00 0.00 -2.50 0.00 0.00 55.73 52.89 2f05 s ARG 51 Cb -0.24 -1.06 0.00 0.00 0.06 0.00 0.00 34.95 33.71 2f05 s ARG 51 CO 0.63 -1.13 0.00 0.41 -2.50 0.00 0.00 175.30 172.71 2f05 n GLY 52 N 4.60 0.00 3.06 8.12 0.00 -1.26 -4.22 105.19 115.49 2f05 n GLY 52 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.24 0.48 0.49 1.61 -2.45 -1.26 -4.95 119.30 111.98 2f05 s MET 53 Ca 0.00 0.82 -0.22 0.00 -1.25 0.00 0.00 55.69 55.05 2f05 s MET 53 Cb 0.00 0.14 -0.07 0.00 1.25 0.00 0.00 34.83 36.15 2f05 s MET 53 CO 0.00 -0.62 1.14 -1.12 1.05 0.00 0.00 175.02 175.46 2f05 s SER 54 N 2.73 6.06 0.21 1.11 0.01 -1.26 -4.91 113.70 117.65 2f05 s SER 54 Ca 0.17 2.22 0.02 0.00 1.31 0.00 0.00 55.95 59.67 2f05 s SER 54 Cb -0.15 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.63 2f05 s SER 54 CO -0.19 -0.99 1.49 -0.08 0.41 0.00 0.00 173.24 173.89 2f05 h GLU 55 N 1.75 0.32 -0.23 12.44 4.81 -1.98 -0.11 114.58 131.58 2f05 h GLU 55 Ca -0.50 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.40 2f05 h GLU 55 Cb 1.25 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2f05 h GLU 55 CO 0.59 0.87 -0.27 1.49 -0.73 0.00 0.00 179.01 180.96 2f05 h GLU 56 N 0.22 0.44 0.01 1.92 4.57 -1.98 0.25 114.58 120.01 2f05 h GLU 56 Ca -0.02 -0.17 -0.21 0.00 -1.18 0.00 0.00 59.36 57.79 2f05 h GLU 56 Cb 1.21 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2f05 h GLU 56 CO 0.11 0.68 -0.98 1.05 -1.18 0.00 0.00 179.01 178.69 2f05 h GLU 57 N 0.39 0.02 0.43 1.92 4.11 -1.69 -0.48 114.58 119.27 2f05 h GLU 57 Ca 0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2f05 h GLU 57 Cb 0.68 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2f05 h GLU 57 CO 0.05 0.98 -0.21 0.28 0.07 0.00 0.00 179.01 180.18 2f05 h VAL 58 N 0.01 0.58 -0.99 -1.06 2.07 -0.81 -0.60 116.25 115.45 2f05 h VAL 58 Ca -0.02 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2f05 h VAL 58 Cb 1.72 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2f05 h VAL 58 CO 0.13 0.02 0.65 0.15 0.02 0.00 0.00 177.57 178.54 2f05 h PHE 59 N -0.62 1.23 0.06 1.57 3.57 -0.83 -1.89 116.94 120.03 2f05 h PHE 59 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.47 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2f05 h PHE 59 CO -0.04 0.74 -0.03 1.15 -2.23 0.00 0.00 178.31 177.91 2f05 h THR 60 N 1.30 0.97 -0.45 4.41 2.02 -0.79 0.49 112.91 120.86 2f05 h THR 60 Ca 0.38 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.40 2f05 h THR 60 Cb -0.08 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2f05 h THR 60 CO -0.10 0.02 0.01 -0.33 0.37 0.00 0.00 175.52 175.49 2f05 h GLU 61 N -0.12 0.73 -0.17 6.66 5.08 -0.72 0.19 114.58 126.23 2f05 h GLU 61 Ca -0.01 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 2f05 h GLU 61 Cb 0.10 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2f05 h GLU 61 CO 0.01 0.74 -0.40 0.28 -1.00 0.00 0.00 179.01 178.64 2f05 h VAL 62 N 0.69 1.34 -0.92 3.13 2.07 -1.16 -1.07 116.25 120.33 2f05 h VAL 62 Ca 0.14 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2f05 h VAL 62 Cb 0.42 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2f05 h VAL 62 CO 0.02 0.51 0.56 0.00 0.02 0.00 0.00 177.57 178.67 2f05 h ALA 63 N 0.57 1.17 -0.40 1.67 0.00 0.32 -1.14 119.26 121.45 2f05 h ALA 63 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2f05 h ALA 63 Cb 1.01 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2f05 h ALA 63 CO 0.09 0.62 0.06 -0.97 0.00 0.00 0.00 179.25 179.05 2f05 h ASN 64 N 1.26 0.57 -0.42 0.00 -1.24 -0.54 -0.58 115.58 114.63 2f05 h ASN 64 Ca 0.33 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.16 2f05 h ASN 64 Cb -0.06 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2f05 h ASN 64 CO -0.06 0.60 -0.05 0.25 -1.29 0.00 0.00 177.43 176.88 2f05 h LEU 65 N 0.59 0.76 -4.48 0.34 7.12 -0.00 -3.22 115.31 116.42 2f05 h LEU 65 Ca 0.13 -0.34 -0.62 0.00 0.13 0.00 0.00 57.88 57.18 2f05 h LEU 65 Cb 0.29 -0.21 -0.39 0.00 -0.53 0.00 0.00 40.66 39.82 2f05 h LEU 65 CO 0.00 0.92 -0.37 0.49 -0.13 0.00 0.00 178.44 179.36 2f05 n PHE 66 N -4.37 3.25 -1.67 1.25 3.72 -0.69 -5.03 117.46 113.92 2f05 n PHE 66 Ca -0.01 -2.85 -0.43 0.00 -0.05 0.00 0.00 57.45 54.11 2f05 n PHE 66 Cb 0.33 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2f05 n PHE 66 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2f05 s ARG 67 N -3.65 3.60 0.00 -1.08 1.81 -0.25 -1.19 118.95 118.19 2f05 s ARG 67 Ca 0.50 2.25 0.00 0.00 -1.72 0.00 0.00 55.73 56.76 2f05 s ARG 67 Cb 0.41 -4.26 0.00 0.00 -0.45 0.00 0.00 34.95 30.65 2f05 s ARG 67 CO -0.19 -1.57 0.00 0.41 -0.68 0.00 0.00 175.30 173.26 2f05 n GLY 68 N 5.18 1.77 3.45 -3.53 0.00 -1.26 -5.00 105.19 105.81 2f05 n GLY 68 Ca 0.25 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.09 0.45 1.61 -1.52 -0.33 -4.81 119.66 119.16 2f05 s GLN 69 Ca 0.00 -2.62 0.22 0.00 -1.95 0.00 0.00 55.36 51.01 2f05 s GLN 69 Cb 0.00 -5.02 1.09 0.00 -0.22 0.00 0.00 33.01 28.86 2f05 s GLN 69 CO 0.00 -1.72 1.93 0.93 -0.25 0.00 0.00 175.29 176.18 2f05 h GLU 70 N 7.14 0.00 0.07 2.91 5.08 -1.95 -2.97 114.58 124.86 2f05 h GLU 70 Ca 0.30 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2f05 h GLU 70 Cb 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 2f05 h GLU 70 CO 1.22 0.23 -0.29 0.22 -1.00 0.00 0.00 179.01 179.39 2f05 h ASP 71 N 0.00 -0.83 -0.81 1.42 3.58 -1.95 0.53 116.42 118.36 2f05 h ASP 71 Ca -0.00 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2f05 h ASP 71 Cb 0.55 0.33 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 2f05 h ASP 71 CO 0.03 -0.36 0.49 -0.07 -2.88 0.00 0.00 179.24 176.44 2f05 h LEU 72 N -0.47 0.98 -0.59 2.28 3.38 -1.91 -0.26 115.31 118.71 2f05 h LEU 72 Ca 0.04 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2f05 h LEU 72 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2f05 h LEU 72 CO -0.20 0.75 -0.21 -0.07 0.09 0.00 0.00 178.44 178.81 2f05 h LEU 73 N 1.12 0.92 -0.14 1.67 3.38 -1.32 0.35 115.31 121.29 2f05 h LEU 73 Ca 0.29 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2f05 h LEU 73 Cb -0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 2f05 h LEU 73 CO -0.05 1.10 -0.14 -1.28 0.09 0.00 0.00 178.44 178.15 2f05 h SER 74 N 0.79 0.36 -0.79 -0.43 0.87 -0.34 -2.52 113.55 111.49 2f05 h SER 74 Ca 0.11 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2f05 h SER 74 Cb 0.76 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2f05 h SER 74 CO 0.06 0.77 0.39 -0.33 -0.53 0.00 0.00 176.83 177.19 2f05 h GLU 75 N -0.04 1.15 0.30 2.24 4.39 -0.86 -2.63 114.58 119.13 2f05 h GLU 75 Ca 0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2f05 h GLU 75 Cb 0.67 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2f05 h GLU 75 CO 0.03 0.88 -0.23 0.35 -1.16 0.00 0.00 179.01 178.89 2f05 h PHE 76 N 1.14 -0.59 0.00 4.33 3.57 -0.89 -1.94 116.94 122.55 2f05 h PHE 76 Ca 0.28 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2f05 h PHE 76 Cb 0.11 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2f05 h PHE 76 CO 0.01 -0.34 -0.15 0.78 -2.23 0.00 0.00 178.31 176.38 2f05 h GLY 77 N -0.53 0.00 1.77 2.40 0.00 -1.28 -0.95 103.07 104.48 2f05 h GLY 77 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 2f05 h GLY 77 CO -0.00 0.00 -0.81 1.46 0.00 0.00 0.00 176.54 177.18 2f05 h GLN 78 N 0.00 0.21 -0.04 4.80 4.20 -1.26 -3.10 115.11 119.92 2f05 h GLN 78 Ca -0.00 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.32 2f05 h GLN 78 Cb 0.29 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2f05 h GLN 78 CO 0.02 0.91 -0.75 0.35 -0.67 0.00 0.00 178.83 178.70 2f05 h PHE 79 N 0.13 0.38 -3.59 2.96 3.57 -0.50 -3.46 116.94 116.44 2f05 h PHE 79 Ca -0.04 -0.18 -0.48 0.00 3.53 0.00 0.00 57.97 60.81 2f05 h PHE 79 Cb 1.41 -0.06 0.05 0.00 2.79 0.00 0.00 35.95 40.14 2f05 h PHE 79 CO 0.03 0.92 0.15 -0.51 -2.23 0.00 0.00 178.31 176.67 2f05 s LEU 80 N -7.76 3.37 0.05 0.59 1.02 -0.46 -5.06 118.68 110.43 2f05 s LEU 80 Ca -0.04 0.76 -0.30 0.00 0.02 0.00 0.00 54.13 54.57 2f05 s LEU 80 Cb 0.11 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.64 2f05 s LEU 80 CO 0.82 -0.91 1.07 -2.16 0.02 0.00 0.00 176.35 175.19 2f05 s PRO 81 N -4.90 4.53 -0.76 1.29 0.04 -1.26 -4.90 135.00 129.05 2f05 s PRO 81 Ca 0.52 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2f05 s PRO 81 Cb -0.10 -3.40 0.36 0.00 0.04 0.00 0.00 34.50 31.40 2f05 s PRO 81 CO 0.45 -0.09 1.57 0.39 0.04 0.00 0.00 177.00 179.36 2f05 n GLU 82 N 3.67 3.73 0.22 4.56 1.02 -1.26 -4.76 120.64 127.81 2f05 n GLU 82 Ca 0.06 -4.31 0.10 0.00 -0.02 0.00 0.00 57.16 53.00 2f05 n GLU 82 Cb 0.49 -2.31 0.40 0.00 -0.02 0.00 0.00 31.44 29.99 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 3.23 0.96 0.00 0.62 0.00 -2.00 -3.10 119.26 118.98 2f05 h ALA 83 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2f05 h ALA 83 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2f05 h ALA 83 CO 1.12 0.24 -0.55 0.87 0.00 0.00 0.00 179.25 180.93 2f05 h LYS 84 N 0.00 0.00 0.00 0.00 1.57 -2.01 -3.54 116.57 112.59 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 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2f05 h LYS 84 CO 0.03 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.45