#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 0.80 -3.96 1.62 0.87 -2.10 -3.45 113.55 107.33 2f05 h SER 2 Ca 0.00 -0.83 -0.47 0.00 -1.23 0.00 0.00 61.79 59.26 2f05 h SER 2 Cb 0.00 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2f05 h SER 2 CO 0.00 1.65 0.26 -0.62 -0.53 0.00 0.00 176.83 177.58 2f05 s ASP 3 N -7.51 6.72 -1.23 6.23 -1.08 -1.26 -4.96 116.67 113.59 2f05 s ASP 3 Ca -0.08 1.45 -0.17 0.00 -0.52 0.00 0.00 52.55 53.23 2f05 s ASP 3 Cb 0.05 -2.45 0.10 0.00 -1.46 0.00 0.00 42.92 39.16 2f05 s ASP 3 CO 0.94 -0.41 1.60 -0.44 0.52 0.00 0.00 175.17 177.38 2f05 s SER 4 N -2.68 6.87 0.05 -0.34 0.01 -1.26 -4.74 113.70 111.61 2f05 s SER 4 Ca 0.57 -2.52 -0.22 0.00 1.31 0.00 0.00 55.95 55.10 2f05 s SER 4 Cb -0.10 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 2f05 s SER 4 CO 0.23 -1.07 1.47 0.58 0.41 0.00 0.00 173.24 174.87 2f05 h VAL 5 N 5.41 1.26 -0.47 3.43 2.07 -1.92 -1.30 116.25 124.72 2f05 h VAL 5 Ca 0.38 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2f05 h VAL 5 Cb 0.89 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2f05 h VAL 5 CO 1.38 0.24 0.22 -0.33 0.02 0.00 0.00 177.57 179.10 2f05 h GLU 6 N -0.06 0.66 -0.38 1.57 4.39 -1.99 0.52 114.58 119.30 2f05 h GLU 6 Ca 0.03 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2f05 h GLU 6 Cb 0.37 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2f05 h GLU 6 CO 0.01 0.52 0.16 0.35 -1.16 0.00 0.00 179.01 178.89 2f05 h PHE 7 N 0.66 0.58 -0.30 4.33 3.57 -1.90 0.30 116.94 124.19 2f05 h PHE 7 Ca 0.17 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2f05 h PHE 7 Cb 0.09 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2f05 h PHE 7 CO 0.01 0.52 -0.08 -0.97 -2.23 0.00 0.00 178.31 175.56 2f05 h ASN 8 N 0.48 0.46 -0.37 0.41 -1.24 0.04 0.42 115.58 115.77 2f05 h ASN 8 Ca 0.13 -0.10 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 2f05 h ASN 8 Cb 0.18 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2f05 h ASN 8 CO -0.01 0.58 -0.25 0.78 -1.29 0.00 0.00 177.43 177.24 2f05 h ASN 9 N 0.45 0.90 0.04 1.15 2.35 -0.52 -2.30 115.58 117.66 2f05 h ASN 9 Ca 0.09 -0.35 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 2f05 h ASN 9 Cb 0.42 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2f05 h ASN 9 CO 0.02 1.10 -0.31 0.00 -1.65 0.00 0.00 177.43 176.60 2f05 h ALA 10 N 0.96 1.11 -0.13 -0.83 0.00 0.68 -2.70 119.26 118.34 2f05 h ALA 10 Ca 0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2f05 h ALA 10 Cb 0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2f05 h ALA 10 CO 0.07 0.56 -0.10 0.82 0.00 0.00 0.00 179.25 180.60 2f05 h ILE 11 N 0.34 1.15 -0.40 0.00 1.08 0.34 0.33 117.51 120.36 2f05 h ILE 11 Ca 0.04 -0.65 -0.04 0.00 -0.39 0.00 0.00 64.86 63.82 2f05 h ILE 11 Cb 0.72 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 2f05 h ILE 11 CO 0.05 0.20 0.08 0.28 -0.69 0.00 0.00 178.15 178.08 2f05 h SER 12 N 0.20 0.55 -0.01 1.72 0.02 -1.12 0.58 113.55 115.48 2f05 h SER 12 Ca 0.04 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2f05 h SER 12 Cb 0.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2f05 h SER 12 CO 0.02 0.56 -0.12 0.22 -1.14 0.00 0.00 176.83 176.37 2f05 h TYR 13 N 0.58 0.13 -0.58 3.45 3.20 -1.15 -3.14 116.97 119.47 2f05 h TYR 13 Ca 0.13 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2f05 h TYR 13 Cb 0.24 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2f05 h TYR 13 CO 0.01 0.82 0.37 0.28 -1.64 0.00 0.00 178.16 178.00 2f05 h VAL 14 N -0.59 1.11 -0.88 1.81 2.07 -0.06 -2.13 116.25 117.57 2f05 h VAL 14 Ca -0.01 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2f05 h VAL 14 Cb 0.85 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2f05 h VAL 14 CO 0.02 0.14 0.58 -1.13 0.02 0.00 0.00 177.57 177.20 2f05 h ASN 15 N 0.74 0.94 -0.66 0.57 -1.24 0.06 0.33 115.58 116.33 2f05 h ASN 15 Ca 0.22 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.16 2f05 h ASN 15 Cb -0.04 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 2f05 h ASN 15 CO -0.07 0.64 0.16 0.50 -1.29 0.00 0.00 177.43 177.37 2f05 h LYS 16 N 1.09 1.05 -0.07 6.67 3.64 -1.37 -0.93 116.57 126.65 2f05 h LYS 16 Ca 0.36 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2f05 h LYS 16 Cb 0.05 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2f05 h LYS 16 CO -0.11 0.94 0.03 0.82 -2.27 0.00 0.00 179.45 178.85 2f05 h ILE 17 N 0.97 1.16 -0.52 2.00 2.04 -0.42 -0.22 117.51 122.51 2f05 h ILE 17 Ca 0.21 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.70 2f05 h ILE 17 Cb 0.36 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.69 2f05 h ILE 17 CO 0.00 0.13 -0.05 0.11 0.00 0.00 0.00 178.15 178.35 2f05 h LYS 18 N -0.06 0.07 -0.17 2.37 1.57 0.03 -0.33 116.57 120.04 2f05 h LYS 18 Ca 0.02 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2f05 h LYS 18 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2f05 h LYS 18 CO -0.00 0.05 -0.25 1.15 -0.57 0.00 0.00 179.45 179.82 2f05 h THR 19 N 0.07 1.34 0.00 -0.16 2.02 -1.13 -0.62 112.91 114.44 2f05 h THR 19 Ca 0.26 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2f05 h THR 19 Cb 0.40 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2f05 h THR 19 CO -0.47 0.44 -0.01 0.03 0.37 0.00 0.00 175.52 175.88 2f05 h ARG 20 N 0.13 0.00 -0.32 6.66 2.47 -0.40 -2.15 114.38 120.76 2f05 h ARG 20 Ca 0.02 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.48 2f05 h ARG 20 Cb 0.83 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.83 2f05 h ARG 20 CO 0.06 0.01 -0.89 1.19 0.56 0.00 0.00 179.97 180.90 2f05 n PHE 21 N -3.12 1.10 0.22 3.04 3.72 -0.19 -4.83 117.46 117.40 2f05 n PHE 21 Ca -0.00 -1.65 0.06 0.00 -0.05 0.00 0.00 57.45 55.82 2f05 n PHE 21 Cb 0.26 -0.24 0.50 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.78 0.00 -0.15 4.37 6.46 -0.40 -0.42 115.31 126.94 2f05 h LEU 22 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2f05 h LEU 22 Cb 1.43 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 2f05 h LEU 22 CO 0.28 0.25 -0.22 -0.67 -0.62 0.00 0.00 178.44 177.46 2f05 n ASP 23 N -3.98 0.46 -3.65 1.25 2.03 -1.26 -4.54 116.55 106.87 2f05 n ASP 23 Ca -0.02 -0.31 -0.28 0.00 0.52 0.00 0.00 54.79 54.70 2f05 n ASP 23 Cb 0.32 -0.04 -0.12 0.00 -0.72 0.00 0.00 41.12 40.57 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 -2.74 2.01 0.49 -0.67 3.76 -0.17 -4.93 115.29 113.06 2f05 s HIS 24 Ca 0.20 -2.56 0.19 0.00 -0.15 0.00 0.00 55.06 52.74 2f05 s HIS 24 Cb 0.19 -1.73 1.28 0.00 1.11 0.00 0.00 32.58 33.42 2f05 s HIS 24 CO 0.56 -0.74 2.10 -1.35 -0.85 0.00 0.00 174.74 174.46 2f05 h PRO 25 N 6.12 0.00 -0.91 8.40 0.11 -1.80 -2.45 132.00 141.47 2f05 h PRO 25 Ca 0.11 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.34 2f05 h PRO 25 Cb 0.88 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.92 2f05 h PRO 25 CO 0.49 0.08 0.58 1.05 -0.21 0.00 0.00 178.00 179.99 2f05 h GLU 26 N 0.00 0.80 -0.08 1.05 4.11 -1.91 0.21 114.58 118.76 2f05 h GLU 26 Ca -0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.22 2f05 h GLU 26 Cb 0.15 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2f05 h GLU 26 CO 0.01 0.53 -0.58 0.82 0.07 0.00 0.00 179.01 179.86 2f05 h ILE 27 N 0.82 1.36 0.17 -1.06 2.04 -1.78 -0.55 117.51 118.52 2f05 h ILE 27 Ca 0.44 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2f05 h ILE 27 Cb 0.55 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2f05 h ILE 27 CO -0.21 0.58 -0.08 0.22 0.00 0.00 0.00 178.15 178.66 2f05 h TYR 28 N 0.13 -0.21 -0.33 1.37 3.20 -1.35 -1.50 116.97 118.28 2f05 h TYR 28 Ca -0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2f05 h TYR 28 Cb 1.24 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 2f05 h TYR 28 CO 0.12 -0.08 0.18 0.00 -1.64 0.00 0.00 178.16 176.74 2f05 h ARG 29 N -0.29 0.46 0.00 1.82 3.08 -0.61 0.23 114.38 119.06 2f05 h ARG 29 Ca -0.02 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2f05 h ARG 29 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2f05 h ARG 29 CO 0.04 0.38 -0.27 0.77 -1.07 0.00 0.00 179.97 179.81 2f05 h SER 30 N 0.41 0.00 -0.05 7.04 0.02 -1.02 -1.82 113.55 118.13 2f05 h SER 30 Ca 0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2f05 h SER 30 Cb 0.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2f05 h SER 30 CO -0.02 0.27 -0.58 0.15 -1.14 0.00 0.00 176.83 175.51 2f05 h PHE 31 N 0.00 0.68 -0.89 3.45 3.57 -0.78 -3.30 116.94 119.67 2f05 h PHE 31 Ca -0.00 -0.34 0.15 0.00 3.53 0.00 0.00 57.97 61.31 2f05 h PHE 31 Cb 0.50 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 2f05 h PHE 31 CO 0.00 1.14 0.57 -0.07 -2.23 0.00 0.00 178.31 177.72 2f05 h LEU 32 N 0.04 0.62 -1.40 0.59 3.38 -0.25 0.10 115.31 118.39 2f05 h LEU 32 Ca -0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2f05 h LEU 32 Cb 1.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2f05 h LEU 32 CO 0.12 0.30 -0.30 1.05 0.09 0.00 0.00 178.44 179.70 2f05 h GLU 33 N 0.65 0.00 -0.05 1.13 4.11 -1.44 -0.10 114.58 118.88 2f05 h GLU 33 Ca 0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.75 2f05 h GLU 33 Cb 0.77 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2f05 h GLU 33 CO -0.20 0.30 -0.46 0.82 0.07 0.00 0.00 179.01 179.54 2f05 h ILE 34 N 0.00 1.42 -0.32 -1.06 2.04 -0.90 0.81 117.51 119.50 2f05 h ILE 34 Ca -0.00 -1.90 -0.12 0.00 1.00 0.00 0.00 64.86 63.84 2f05 h ILE 34 Cb 0.56 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2f05 h ILE 34 CO 0.04 0.55 -0.28 0.25 0.00 0.00 0.00 178.15 178.71 2f05 h LEU 35 N -0.10 0.68 -0.65 1.44 7.12 -1.21 0.17 115.31 122.76 2f05 h LEU 35 Ca -0.04 -0.26 -0.04 0.00 0.13 0.00 0.00 57.88 57.67 2f05 h LEU 35 Cb 1.14 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 2f05 h LEU 35 CO 0.09 0.93 0.26 -0.74 -0.13 0.00 0.00 178.44 178.85 2f05 h HIS 36 N 0.58 1.00 -0.61 1.25 2.76 -0.98 -2.07 115.15 117.07 2f05 h HIS 36 Ca 0.07 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2f05 h HIS 36 Cb 0.77 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 2f05 h HIS 36 CO 0.04 0.78 0.32 1.15 -1.30 0.00 0.00 177.93 178.92 2f05 h THR 37 N 0.92 1.20 0.08 6.26 2.02 -0.16 -2.58 112.91 120.66 2f05 h THR 37 Ca 0.22 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.87 2f05 h THR 37 Cb 0.21 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2f05 h THR 37 CO -0.02 0.23 -0.14 0.22 0.37 0.00 0.00 175.52 176.18 2f05 h TYR 38 N 0.83 -0.35 -0.75 3.16 3.20 -0.35 -1.78 116.97 120.93 2f05 h TYR 38 Ca 0.21 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 2f05 h TYR 38 Cb 0.07 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2f05 h TYR 38 CO -0.01 -0.21 0.23 1.96 -1.64 0.00 0.00 178.16 178.50 2f05 h GLN 39 N -0.27 1.17 0.00 1.82 1.08 -1.26 0.15 115.11 117.81 2f05 h GLN 39 Ca 0.02 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 2f05 h GLN 39 Cb 0.29 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2f05 h GLN 39 CO -0.08 0.99 -0.08 0.87 -0.95 0.00 0.00 178.83 179.59 2f05 h LYS 40 N 1.12 0.00 0.12 1.46 6.56 -1.23 0.68 116.57 125.28 2f05 h LYS 40 Ca 0.24 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.49 2f05 h LYS 40 Cb 0.31 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.96 2f05 h LYS 40 CO -0.01 0.08 -1.88 1.49 -2.06 0.00 0.00 179.45 177.08 2f05 h GLU 41 N 0.00 0.24 -0.11 3.15 4.22 -0.77 -3.37 114.58 117.94 2f05 h GLU 41 Ca -0.00 -0.42 -0.23 0.00 0.08 0.00 0.00 59.36 58.79 2f05 h GLU 41 Cb 0.67 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2f05 h GLU 41 CO 0.01 1.11 -0.83 1.96 -2.18 0.00 0.00 179.01 179.09 2f05 h GLN 42 N 0.07 0.70 -2.93 1.92 1.08 -0.88 -3.28 115.11 111.79 2f05 h GLN 42 Ca -0.37 -0.61 -0.75 0.00 -1.45 0.00 0.00 58.65 55.46 2f05 h GLN 42 Cb 2.04 0.14 -0.14 0.00 -0.05 0.00 0.00 27.48 29.47 2f05 h GLN 42 CO 0.11 1.22 2.20 1.28 -0.95 0.00 0.00 178.83 182.69 2f05 n LEU 43 N -3.90 7.49 -3.76 1.46 7.99 0.22 -4.84 117.00 121.66 2f05 n LEU 43 Ca -0.08 -4.82 -0.13 0.00 -0.01 0.00 0.00 56.01 50.97 2f05 n LEU 43 Cb 0.77 -1.40 -0.14 0.00 -0.11 0.00 0.00 43.42 42.54 2f05 n LEU 43 CO 0.53 1.81 -0.22 -2.28 -1.51 0.00 0.00 177.39 175.71 2f05 s HIS 44 N -0.72 -0.17 0.35 -1.77 2.46 -1.24 -4.83 115.29 109.38 2f05 s HIS 44 Ca 0.48 0.47 -0.29 0.00 0.47 0.00 0.00 55.06 56.19 2f05 s HIS 44 Cb 0.15 -0.05 -0.11 0.00 -0.13 0.00 0.00 32.58 32.43 2f05 s HIS 44 CO -0.05 -0.15 1.48 2.41 -2.47 0.00 0.00 174.74 175.96 2f05 n THR 45 N 3.97 1.76 -1.71 0.89 -1.04 -1.26 -4.93 114.28 111.96 2f05 n THR 45 Ca -0.24 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.05 60.91 2f05 n THR 45 Cb 0.53 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 2f05 n THR 45 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2f05 n LYS 46 N 0.86 2.65 0.00 -2.82 0.00 -1.26 -4.53 118.16 113.06 2f05 n LYS 46 Ca 0.04 0.95 0.00 0.00 0.00 0.00 0.00 58.31 59.30 2f05 n LYS 46 Cb 0.38 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.63 2f05 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2f05 n GLY 47 N 3.56 0.04 3.04 3.14 0.00 -1.26 -5.16 105.19 108.56 2f05 n GLY 47 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.31 0.21 1.61 6.06 -1.26 -5.11 118.95 120.76 2f05 s ARG 48 Ca 0.00 -0.17 -0.32 0.00 -2.50 0.00 0.00 55.73 52.73 2f05 s ARG 48 Cb 0.00 0.13 -0.14 0.00 0.06 0.00 0.00 34.95 35.01 2f05 s ARG 48 CO 0.00 -0.06 1.49 -2.30 -2.50 0.00 0.00 175.30 171.93 2f05 n PRO 49 N 2.16 2.11 -1.96 5.12 -0.02 -1.26 -4.75 135.00 136.40 2f05 n PRO 49 Ca -0.18 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 61.81 2f05 n PRO 49 Cb 0.57 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2f05 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2f05 s PHE 50 N 0.38 1.72 -0.20 6.00 5.36 -1.26 -4.48 117.98 125.50 2f05 s PHE 50 Ca 0.73 0.90 0.12 0.00 -0.96 0.00 0.00 56.93 57.71 2f05 s PHE 50 Cb -0.66 -3.89 0.42 0.00 -0.34 0.00 0.00 43.02 38.56 2f05 s PHE 50 CO 0.44 -1.44 1.22 0.54 -1.46 0.00 0.00 175.22 174.52 2f05 n ARG 51 N 8.60 1.57 -1.66 10.12 3.00 -1.26 -5.06 116.66 131.97 2f05 n ARG 51 Ca 0.43 -3.28 -0.47 0.00 -0.01 0.00 0.00 57.85 54.52 2f05 n ARG 51 Cb 0.46 -1.57 -0.04 0.00 0.00 0.00 0.00 32.46 31.31 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2f05 n GLY 52 N -1.05 1.04 3.56 -0.13 0.00 -1.26 -4.78 105.19 102.57 2f05 n GLY 52 Ca 0.19 0.66 -0.38 0.00 0.00 0.00 0.00 46.02 46.49 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 0.84 2.37 0.37 1.61 1.75 -1.26 -4.93 119.30 120.05 2f05 s MET 53 Ca 0.79 1.48 -0.18 0.00 -1.25 0.00 0.00 55.69 56.54 2f05 s MET 53 Cb -0.71 -4.52 -0.10 0.00 2.84 0.00 0.00 34.83 32.34 2f05 s MET 53 CO 0.39 -2.98 0.83 -1.12 -0.65 0.00 0.00 175.02 171.50 2f05 s SER 54 N 11.00 6.86 0.56 1.11 0.01 -1.26 -4.94 113.70 127.04 2f05 s SER 54 Ca 0.96 1.47 0.31 0.00 1.31 0.00 0.00 55.95 60.00 2f05 s SER 54 Cb -0.20 -2.45 1.69 0.00 0.21 0.00 0.00 66.02 65.27 2f05 s SER 54 CO 0.28 -0.27 2.16 1.05 0.41 0.00 0.00 173.24 176.86 2f05 h GLU 55 N 2.12 0.00 -0.23 12.44 9.09 -1.96 -1.74 114.58 134.30 2f05 h GLU 55 Ca -0.48 0.00 0.01 0.00 0.05 0.00 0.00 59.36 58.94 2f05 h GLU 55 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 2f05 h GLU 55 CO 0.63 0.06 0.11 1.49 0.05 0.00 0.00 179.01 181.36 2f05 h GLU 56 N 0.00 0.23 -0.02 1.06 4.57 -1.92 0.72 114.58 119.23 2f05 h GLU 56 Ca -0.00 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2f05 h GLU 56 Cb 0.22 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2f05 h GLU 56 CO 0.01 0.16 -0.38 1.05 -1.18 0.00 0.00 179.01 178.67 2f05 h GLU 57 N 0.24 0.04 0.32 1.92 4.11 -1.71 0.60 114.58 120.11 2f05 h GLU 57 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2f05 h GLU 57 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2f05 h GLU 57 CO -0.06 0.41 -0.15 0.28 0.07 0.00 0.00 179.01 179.56 2f05 h VAL 58 N 0.03 0.67 -0.60 -1.06 2.07 -1.20 -3.08 116.25 113.09 2f05 h VAL 58 Ca 0.00 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.01 2f05 h VAL 58 Cb 0.69 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2f05 h VAL 58 CO 0.05 0.10 0.40 0.15 0.02 0.00 0.00 177.57 178.29 2f05 h PHE 59 N -0.75 0.66 0.01 1.57 3.57 0.89 -2.12 116.94 120.78 2f05 h PHE 59 Ca -0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2f05 h PHE 59 Cb 0.50 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2f05 h PHE 59 CO 0.02 0.38 -0.21 1.15 -2.23 0.00 0.00 178.31 177.41 2f05 h THR 60 N 0.68 0.50 -0.01 4.41 2.02 -0.80 0.62 112.91 120.33 2f05 h THR 60 Ca 0.24 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.26 2f05 h THR 60 Cb 0.12 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2f05 h THR 60 CO -0.07 0.00 -0.76 -0.33 0.37 0.00 0.00 175.52 174.74 2f05 h GLU 61 N -0.34 0.08 -0.10 6.66 4.39 -1.36 -0.32 114.58 123.59 2f05 h GLU 61 Ca 0.06 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2f05 h GLU 61 Cb 0.42 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2f05 h GLU 61 CO -0.19 0.80 -0.69 0.28 -1.16 0.00 0.00 179.01 178.05 2f05 h VAL 62 N 0.05 1.33 -0.15 3.13 2.07 -1.08 0.15 116.25 121.75 2f05 h VAL 62 Ca -0.02 -1.96 -0.11 0.00 0.82 0.00 0.00 66.70 65.42 2f05 h VAL 62 Cb 1.33 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2f05 h VAL 62 CO 0.11 0.60 -0.41 0.00 0.02 0.00 0.00 177.57 177.89 2f05 h ALA 63 N 0.47 1.03 0.00 1.67 0.00 0.32 0.85 119.26 123.60 2f05 h ALA 63 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2f05 h ALA 63 Cb 1.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2f05 h ALA 63 CO 0.14 0.61 -0.54 -0.97 0.00 0.00 0.00 179.25 178.49 2f05 h ASN 64 N 0.28 0.00 0.28 0.00 -1.24 -1.03 -1.45 115.58 112.42 2f05 h ASN 64 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2f05 h ASN 64 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 2f05 h ASN 64 CO 0.07 0.54 -0.13 0.25 -1.29 0.00 0.00 177.43 176.87 2f05 h LEU 65 N 0.00 -0.31 -3.87 0.34 5.85 -0.29 -3.33 115.31 113.70 2f05 h LEU 65 Ca -0.01 -0.09 -0.59 0.00 0.84 0.00 0.00 57.88 58.03 2f05 h LEU 65 Cb 1.00 0.08 -0.26 0.00 0.37 0.00 0.00 40.66 41.86 2f05 h LEU 65 CO 0.07 0.17 0.76 0.49 -0.34 0.00 0.00 178.44 179.59 2f05 n PHE 66 N -5.02 2.83 -1.70 1.25 3.72 0.23 -4.95 117.46 113.81 2f05 n PHE 66 Ca -0.06 -2.71 -0.43 0.00 -0.05 0.00 0.00 57.45 54.20 2f05 n PHE 66 Cb 0.20 -1.31 -0.03 0.00 -0.94 0.00 0.00 39.48 37.40 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 -3.32 3.28 0.00 -1.08 1.70 -0.55 -0.76 118.95 118.21 2f05 s ARG 67 Ca 0.56 1.96 0.00 0.00 -0.47 0.00 0.00 55.73 57.78 2f05 s ARG 67 Cb 0.44 -4.31 0.00 0.00 -0.57 0.00 0.00 34.95 30.51 2f05 s ARG 67 CO -0.00 -1.93 0.00 0.41 -1.08 0.00 0.00 175.30 172.69 2f05 n GLY 68 N 5.55 2.62 2.74 3.88 0.00 -1.26 -4.99 105.19 113.73 2f05 n GLY 68 Ca 0.27 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 3.29 0.28 1.61 1.13 0.06 -4.69 117.38 119.06 2f05 n GLN 69 Ca 0.00 -2.98 0.18 0.00 -1.94 0.00 0.00 57.00 52.26 2f05 n GLN 69 Cb 0.00 -3.08 0.76 0.00 0.11 0.00 0.00 30.24 28.03 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 5.76 0.00 0.04 -1.09 5.08 -1.94 -1.13 114.58 121.30 2f05 h GLU 70 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2f05 h GLU 70 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2f05 h GLU 70 CO 1.76 0.00 -0.02 0.22 -1.00 0.00 0.00 179.01 179.97 2f05 h ASP 71 N 0.00 -0.04 -0.83 1.42 3.58 -1.96 -2.10 116.42 116.49 2f05 h ASP 71 Ca 0.00 -0.42 0.01 0.00 0.42 0.00 0.00 57.03 57.03 2f05 h ASP 71 Cb 0.40 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2f05 h ASP 71 CO 0.00 0.41 0.55 -0.07 -2.88 0.00 0.00 179.24 177.25 2f05 h LEU 72 N -0.51 0.96 -1.49 2.28 3.38 -1.76 -1.23 115.31 116.94 2f05 h LEU 72 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2f05 h LEU 72 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2f05 h LEU 72 CO 0.01 0.69 -0.20 -0.07 0.09 0.00 0.00 178.44 178.96 2f05 h LEU 73 N 1.13 0.00 0.15 1.67 3.38 -1.19 0.37 115.31 120.82 2f05 h LEU 73 Ca 0.30 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 2f05 h LEU 73 Cb -0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.64 2f05 h LEU 73 CO -0.07 0.20 -1.06 -1.28 0.09 0.00 0.00 178.44 176.32 2f05 h SER 74 N 0.00 0.50 0.20 -0.43 0.87 -0.59 -3.20 113.55 110.90 2f05 h SER 74 Ca -0.00 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.60 2f05 h SER 74 Cb 0.56 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2f05 h SER 74 CO 0.03 1.50 -0.16 -0.33 -0.53 0.00 0.00 176.83 177.33 2f05 h GLU 75 N -0.29 0.00 -0.38 2.24 5.08 -0.86 -1.24 114.58 119.13 2f05 h GLU 75 Ca -0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2f05 h GLU 75 Cb 1.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 2f05 h GLU 75 CO 0.14 0.16 0.18 0.35 -1.00 0.00 0.00 179.01 178.85 2f05 h PHE 76 N 0.00 0.54 -0.64 4.33 3.57 -1.01 0.43 116.94 124.15 2f05 h PHE 76 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 76 Cb 0.30 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2f05 h PHE 76 CO 0.00 0.45 0.30 0.78 -2.23 0.00 0.00 178.31 177.61 2f05 h GLY 77 N 0.47 0.99 1.71 2.40 0.00 -1.26 -0.94 103.07 106.45 2f05 h GLY 77 Ca 0.13 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2f05 h GLY 77 CO -0.02 0.47 -0.09 1.46 0.00 0.00 0.00 176.54 178.36 2f05 h GLN 78 N 0.88 0.36 -0.18 4.80 1.08 -1.00 -2.60 115.11 118.46 2f05 h GLN 78 Ca 0.22 -0.08 -0.22 0.00 -1.45 0.00 0.00 58.65 57.12 2f05 h GLN 78 Cb 0.13 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2f05 h GLN 78 CO -0.03 0.46 -0.74 0.35 -0.95 0.00 0.00 178.83 177.93 2f05 h PHE 79 N 0.34 1.08 -4.26 2.96 3.57 -0.49 -3.46 116.94 116.68 2f05 h PHE 79 Ca 0.07 -0.46 -0.50 0.00 3.53 0.00 0.00 57.97 60.60 2f05 h PHE 79 Cb 0.38 -0.17 0.09 0.00 2.79 0.00 0.00 35.95 39.03 2f05 h PHE 79 CO 0.01 1.30 0.37 -0.51 -2.23 0.00 0.00 178.31 177.24 2f05 s LEU 80 N -8.47 3.31 0.34 0.59 1.43 -0.40 -5.01 118.68 110.47 2f05 s LEU 80 Ca -0.10 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.47 2f05 s LEU 80 Cb 0.09 -4.52 -0.11 0.00 0.03 0.00 0.00 46.19 41.68 2f05 s LEU 80 CO 0.90 -1.40 1.46 -2.16 0.23 0.00 0.00 176.35 175.38 2f05 s PRO 81 N -4.50 4.18 -0.90 1.29 0.04 -1.26 -3.50 135.00 130.35 2f05 s PRO 81 Ca 0.62 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 64.08 2f05 s PRO 81 Cb -0.16 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2f05 s PRO 81 CO 0.46 -0.46 0.80 0.39 0.04 0.00 0.00 177.00 178.22 2f05 n GLU 82 N 1.08 -1.89 -0.26 4.56 4.71 -1.26 -4.86 120.64 122.72 2f05 n GLU 82 Ca 0.03 0.91 0.32 0.00 -0.01 0.00 0.00 57.16 58.41 2f05 n GLU 82 Cb 0.40 -5.44 0.73 0.00 -1.01 0.00 0.00 31.44 26.11 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2f05 h ALA 83 N 0.02 2.98 0.00 0.62 0.00 -1.68 0.76 119.26 121.96 2f05 h ALA 83 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2f05 h ALA 83 Cb 1.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2f05 h ALA 83 CO 0.38 -1.29 -0.99 1.63 0.00 0.00 0.00 179.25 178.98 2f05 n LYS 84 N -4.23 0.41 0.00 0.00 5.02 -1.26 -4.31 118.16 113.79 2f05 n LYS 84 Ca 0.23 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2f05 n LYS 84 Cb 1.12 -1.68 0.08 0.00 -0.02 0.00 0.00 35.03 34.53 2f05 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42