#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 -2.91 -0.93 4.31 2.88 -1.26 -4.76 113.62 110.94 2f05 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2f05 n SER 2 Cb 0.00 -1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 61.97 2f05 n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2f05 n ASP 3 N -0.28 -5.60 -2.85 -3.46 -0.08 -1.26 -4.78 116.55 98.24 2f05 n ASP 3 Ca 0.00 0.02 -0.11 0.00 -1.51 0.00 0.00 54.79 53.19 2f05 n ASP 3 Cb 0.14 -0.06 0.02 0.00 2.34 0.00 0.00 41.12 43.55 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 -3.09 -2.29 -0.11 1.67 7.64 -1.26 -5.02 113.62 111.16 2f05 n SER 4 Ca 0.00 -3.14 -0.11 0.00 1.01 0.00 0.00 58.87 56.63 2f05 n SER 4 Cb 0.01 1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 64.47 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 2.98 1.28 -0.11 0.44 2.07 -1.99 0.11 116.25 121.04 2f05 h VAL 5 Ca -0.08 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 2f05 h VAL 5 Cb 1.00 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2f05 h VAL 5 CO 0.33 0.37 -0.42 -0.33 0.02 0.00 0.00 177.57 177.55 2f05 h GLU 6 N 0.42 0.24 -0.42 1.57 4.39 -1.99 -2.05 114.58 116.75 2f05 h GLU 6 Ca 0.08 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 2f05 h GLU 6 Cb 0.58 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2f05 h GLU 6 CO 0.03 0.62 -0.29 0.35 -1.16 0.00 0.00 179.01 178.56 2f05 h PHE 7 N 0.20 1.06 -0.60 4.33 3.57 -1.90 -0.39 116.94 123.20 2f05 h PHE 7 Ca 0.02 -0.28 0.03 0.00 3.53 0.00 0.00 57.97 61.27 2f05 h PHE 7 Cb 0.82 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2f05 h PHE 7 CO 0.01 1.08 0.36 -0.91 -2.23 0.00 0.00 178.31 176.62 2f05 h ASN 8 N 0.77 0.57 -0.77 0.41 2.35 -0.22 0.56 115.58 119.25 2f05 h ASN 8 Ca 0.09 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2f05 h ASN 8 Cb 0.86 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 2f05 h ASN 8 CO 0.08 0.39 0.43 0.78 -1.65 0.00 0.00 177.43 177.46 2f05 h ASN 9 N 0.69 0.96 0.20 5.81 2.35 -0.99 -0.33 115.58 124.28 2f05 h ASN 9 Ca 0.25 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 2f05 h ASN 9 Cb 0.06 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2f05 h ASN 9 CO -0.12 0.77 -0.44 0.00 -1.65 0.00 0.00 177.43 175.98 2f05 h ALA 10 N 1.39 1.01 -0.34 -0.83 0.00 0.16 -2.27 119.26 118.37 2f05 h ALA 10 Ca 0.28 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2f05 h ALA 10 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2f05 h ALA 10 CO -0.05 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 2f05 h ILE 11 N 0.25 1.28 -0.87 0.00 1.08 0.13 0.30 117.51 119.68 2f05 h ILE 11 Ca 0.02 -1.11 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 2f05 h ILE 11 Cb 0.89 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.89 2f05 h ILE 11 CO 0.07 0.36 0.58 0.28 -0.69 0.00 0.00 178.15 178.75 2f05 h SER 12 N 0.44 1.00 0.28 1.72 0.02 -1.05 0.70 113.55 116.67 2f05 h SER 12 Ca 0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2f05 h SER 12 Cb 0.56 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2f05 h SER 12 CO 0.03 0.73 -0.19 0.22 -1.14 0.00 0.00 176.83 176.48 2f05 h TYR 13 N 1.18 -0.51 -0.10 3.45 3.20 -1.05 -2.01 116.97 121.13 2f05 h TYR 13 Ca 0.32 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2f05 h TYR 13 Cb -0.14 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2f05 h TYR 13 CO -0.01 -0.30 0.02 0.28 -1.64 0.00 0.00 178.16 176.51 2f05 h VAL 14 N -0.47 1.21 -0.90 1.81 2.07 0.18 -2.18 116.25 117.97 2f05 h VAL 14 Ca -0.02 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2f05 h VAL 14 Cb 0.40 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2f05 h VAL 14 CO 0.01 0.19 0.58 -1.13 0.02 0.00 0.00 177.57 177.24 2f05 h ASN 15 N -0.05 0.76 -0.42 0.57 -0.73 0.38 0.25 115.58 116.33 2f05 h ASN 15 Ca 0.03 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.17 2f05 h ASN 15 Cb 0.27 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 2f05 h ASN 15 CO 0.00 0.42 0.00 0.50 -0.37 0.00 0.00 177.43 177.99 2f05 h LYS 16 N 0.83 0.75 0.02 6.67 3.64 -1.19 -1.43 116.57 125.86 2f05 h LYS 16 Ca 0.43 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2f05 h LYS 16 Cb 0.52 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2f05 h LYS 16 CO -0.20 0.82 -0.07 0.82 -2.27 0.00 0.00 179.45 178.55 2f05 h ILE 17 N 0.59 0.82 -0.66 2.00 2.04 -0.25 0.22 117.51 122.27 2f05 h ILE 17 Ca 0.12 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.11 2f05 h ILE 17 Cb 0.48 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 2f05 h ILE 17 CO 0.02 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.44 2f05 h LYS 18 N -0.13 0.28 -0.06 2.37 1.57 -0.39 0.82 116.57 121.03 2f05 h LYS 18 Ca 0.02 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2f05 h LYS 18 Cb 0.16 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.41 2f05 h LYS 18 CO -0.06 0.18 -0.51 1.15 -0.57 0.00 0.00 179.45 179.65 2f05 h THR 19 N 0.29 1.40 0.00 -0.16 2.02 -1.02 -1.87 112.91 113.57 2f05 h THR 19 Ca 0.35 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2f05 h THR 19 Cb 0.55 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2f05 h THR 19 CO -0.43 0.56 -0.03 0.03 0.37 0.00 0.00 175.52 176.02 2f05 h ARG 20 N -0.02 0.00 -0.12 6.66 2.47 0.02 -2.64 114.38 120.75 2f05 h ARG 20 Ca -0.05 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 2f05 h ARG 20 Cb 1.18 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.34 2f05 h ARG 20 CO 0.10 0.03 -0.68 1.19 0.56 0.00 0.00 179.97 181.17 2f05 n PHE 21 N -3.12 0.42 0.08 3.04 3.01 0.23 -4.82 117.46 116.31 2f05 n PHE 21 Ca 0.02 -1.42 0.02 0.00 1.01 0.00 0.00 57.45 57.08 2f05 n PHE 21 Cb 0.40 -0.24 0.39 0.00 -0.01 0.00 0.00 39.48 40.02 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 1.23 0.30 0.00 4.37 6.46 -0.95 -1.12 115.31 125.61 2f05 h LEU 22 Ca -0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2f05 h LEU 22 Cb 1.27 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2f05 h LEU 22 CO 0.13 0.39 -0.39 0.47 -0.62 0.00 0.00 178.44 178.42 2f05 n ASP 23 N -4.32 0.53 -3.68 1.25 8.00 -1.26 -4.43 116.55 112.63 2f05 n ASP 23 Ca 0.00 0.15 -0.28 0.00 0.71 0.00 0.00 54.79 55.37 2f05 n ASP 23 Cb 0.22 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2f05 n HIS 24 N -1.85 1.63 0.32 1.24 8.25 -0.42 -4.93 115.22 119.47 2f05 n HIS 24 Ca 0.05 -3.92 0.21 0.00 -0.26 0.00 0.00 57.72 53.80 2f05 n HIS 24 Cb 0.39 -0.28 1.10 0.00 1.12 0.00 0.00 29.99 32.31 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 5.41 0.00 0.00 -0.41 0.11 -1.77 -1.83 132.00 133.50 2f05 h PRO 25 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 2f05 h PRO 25 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2f05 h PRO 25 CO 0.59 0.00 -0.20 1.05 -0.21 0.00 0.00 178.00 179.23 2f05 h GLU 26 N 0.00 0.00 0.06 1.05 4.11 -1.91 0.24 114.58 118.13 2f05 h GLU 26 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2f05 h GLU 26 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 2f05 h GLU 26 CO 0.00 0.20 -1.05 0.82 0.07 0.00 0.00 179.01 179.06 2f05 h ILE 27 N 0.00 1.32 -0.24 -1.06 2.04 -1.67 0.26 117.51 118.16 2f05 h ILE 27 Ca -0.00 -2.33 0.03 0.00 1.00 0.00 0.00 64.86 63.56 2f05 h ILE 27 Cb 0.36 2.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2f05 h ILE 27 CO 0.03 0.70 0.04 0.22 0.00 0.00 0.00 178.15 179.14 2f05 h TYR 28 N 0.22 0.07 0.02 1.37 3.20 -1.51 -1.13 116.97 119.21 2f05 h TYR 28 Ca -0.15 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.75 2f05 h TYR 28 Cb 1.73 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.98 2f05 h TYR 28 CO 0.12 0.02 -0.12 -0.09 -1.64 0.00 0.00 178.16 176.45 2f05 h ARG 29 N 0.13 -0.21 0.00 1.82 2.43 -0.46 0.47 114.38 118.56 2f05 h ARG 29 Ca 0.11 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2f05 h ARG 29 Cb 0.11 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2f05 h ARG 29 CO -0.15 -0.14 -0.11 0.77 -1.51 0.00 0.00 179.97 178.83 2f05 h SER 30 N -0.22 0.00 -0.03 -3.80 0.02 -0.14 -1.36 113.55 108.02 2f05 h SER 30 Ca 0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2f05 h SER 30 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2f05 h SER 30 CO -0.10 0.11 -0.20 0.15 -1.14 0.00 0.00 176.83 175.65 2f05 h PHE 31 N 0.00 0.26 -0.96 3.45 3.57 -0.76 -3.27 116.94 119.23 2f05 h PHE 31 Ca -0.00 -0.12 0.16 0.00 3.53 0.00 0.00 57.97 61.54 2f05 h PHE 31 Cb 0.21 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 2f05 h PHE 31 CO 0.00 0.85 0.61 -0.07 -2.23 0.00 0.00 178.31 177.47 2f05 h LEU 32 N -0.40 0.74 -1.28 0.59 3.38 0.05 0.14 115.31 118.53 2f05 h LEU 32 Ca -0.02 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2f05 h LEU 32 Cb 0.89 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2f05 h LEU 32 CO 0.04 0.34 -0.36 1.05 0.09 0.00 0.00 178.44 179.60 2f05 h GLU 33 N 0.77 0.00 -0.12 1.13 4.11 -1.38 0.26 114.58 119.34 2f05 h GLU 33 Ca 0.51 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.77 2f05 h GLU 33 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2f05 h GLU 33 CO -0.28 0.36 -0.57 0.82 0.07 0.00 0.00 179.01 179.41 2f05 h ILE 34 N 0.00 1.34 -0.46 -1.06 2.04 -0.82 0.68 117.51 119.22 2f05 h ILE 34 Ca -0.00 -1.85 -0.07 0.00 1.00 0.00 0.00 64.86 63.94 2f05 h ILE 34 Cb 0.64 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2f05 h ILE 34 CO 0.05 0.57 0.03 0.25 0.00 0.00 0.00 178.15 179.05 2f05 h LEU 35 N 0.25 0.77 -0.37 1.44 7.12 -0.65 0.26 115.31 124.14 2f05 h LEU 35 Ca -0.04 -0.29 -0.01 0.00 0.13 0.00 0.00 57.88 57.68 2f05 h LEU 35 Cb 1.21 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 2f05 h LEU 35 CO 0.12 0.87 0.19 0.45 -0.13 0.00 0.00 178.44 179.94 2f05 h HIS 36 N 0.65 0.51 -0.56 1.25 3.86 -0.48 0.67 115.15 121.06 2f05 h HIS 36 Ca 0.14 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.43 2f05 h HIS 36 Cb 0.45 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.68 2f05 h HIS 36 CO 0.03 0.42 0.07 1.15 0.86 0.00 0.00 177.93 180.46 2f05 h THR 37 N 0.46 0.62 -0.58 2.45 2.02 -0.45 0.27 112.91 117.69 2f05 h THR 37 Ca 0.13 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2f05 h THR 37 Cb 0.09 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2f05 h THR 37 CO -0.02 0.03 0.24 0.22 0.37 0.00 0.00 175.52 176.36 2f05 h TYR 38 N 0.19 0.88 -0.43 3.16 3.20 -0.01 0.38 116.97 124.34 2f05 h TYR 38 Ca 0.29 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2f05 h TYR 38 Cb 0.44 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2f05 h TYR 38 CO -0.28 0.70 0.18 1.96 -1.64 0.00 0.00 178.16 179.08 2f05 h GLN 39 N 0.80 0.65 -0.73 1.82 1.08 0.01 -1.99 115.11 116.74 2f05 h GLN 39 Ca 0.19 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2f05 h GLN 39 Cb 0.19 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2f05 h GLN 39 CO -0.02 0.59 0.36 0.87 -0.95 0.00 0.00 178.83 179.69 2f05 h LYS 40 N 0.56 1.04 -0.02 1.46 6.56 -0.63 -2.23 116.57 123.30 2f05 h LYS 40 Ca 0.15 -0.14 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2f05 h LYS 40 Cb 0.18 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 2f05 h LYS 40 CO -0.01 0.80 -0.04 1.49 -2.06 0.00 0.00 179.45 179.63 2f05 h GLU 41 N 1.02 -0.06 0.00 3.15 4.22 -0.69 -0.35 114.58 121.87 2f05 h GLU 41 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 2f05 h GLU 41 Cb 0.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2f05 h GLU 41 CO -0.03 -0.04 0.00 1.04 -2.18 0.00 0.00 179.01 177.80 2f05 n GLN 42 N -5.15 0.19 -0.04 1.92 1.13 -0.77 -4.02 117.38 110.64 2f05 n GLN 42 Ca -0.06 0.37 -0.04 0.00 -1.94 0.00 0.00 57.00 55.33 2f05 n GLN 42 Cb 0.08 -1.83 -0.01 0.00 0.11 0.00 0.00 30.24 28.59 2f05 n GLN 42 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2f05 n LEU 43 N -2.18 0.97 0.00 1.08 -0.00 -0.74 -5.08 117.00 111.05 2f05 n LEU 43 Ca 0.03 0.28 -0.18 0.00 -0.00 0.00 0.00 56.01 56.14 2f05 n LEU 43 Cb 0.26 -0.65 -0.04 0.00 -0.00 0.00 0.00 43.42 42.99 2f05 n LEU 43 CO 0.21 -0.42 -0.13 0.00 -0.00 0.00 0.00 177.39 177.05 2f05 n HIS 44 N -3.49 0.61 -2.09 1.96 1.44 -0.22 -5.04 115.22 108.38 2f05 n HIS 44 Ca -0.06 -1.41 -0.37 0.00 -2.01 0.00 0.00 57.72 53.87 2f05 n HIS 44 Cb 0.22 -0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 2f05 n HIS 44 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2f05 s THR 45 N -2.06 3.41 1.16 0.61 -4.23 -1.26 -4.68 115.64 108.59 2f05 s THR 45 Ca 0.01 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 2f05 s THR 45 Cb 0.00 -4.05 0.27 0.00 1.34 0.00 0.00 72.50 70.06 2f05 s THR 45 CO 0.01 -1.01 1.04 -1.59 -0.54 0.00 0.00 174.62 172.52 2f05 s LYS 46 N 6.90 -0.85 0.06 3.99 0.00 -1.26 -4.99 119.74 123.59 2f05 s LYS 46 Ca 0.65 0.60 0.10 0.00 0.00 0.00 0.00 55.97 57.32 2f05 s LYS 46 Cb -0.11 -1.58 -0.20 0.00 0.00 0.00 0.00 37.83 35.94 2f05 s LYS 46 CO 0.16 -3.61 1.02 0.78 0.00 0.00 0.00 175.35 173.70 2f05 h GLY 47 N -2.53 0.00 -1.82 0.59 0.00 -1.96 -3.46 103.07 93.89 2f05 h GLY 47 Ca -0.58 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.27 2f05 h GLY 47 CO 0.50 0.00 0.38 0.50 0.00 0.00 0.00 176.54 177.92 2f05 s ARG 48 N -2.69 3.60 0.15 4.80 0.52 -1.26 -4.99 118.95 119.08 2f05 s ARG 48 Ca -0.01 1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 56.06 2f05 s ARG 48 Cb 0.09 -2.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 2f05 s ARG 48 CO 0.82 -0.58 1.69 -2.14 0.02 0.00 0.00 175.30 175.11 2f05 s PRO 49 N -3.85 4.17 0.00 3.54 0.02 -1.26 -4.30 135.00 133.32 2f05 s PRO 49 Ca 0.63 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.13 2f05 s PRO 49 Cb -0.14 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2f05 s PRO 49 CO 0.31 -0.73 0.00 0.34 -0.33 0.00 0.00 177.00 176.59 2f05 n PHE 50 N 4.70 0.00 -4.73 6.54 7.35 -1.26 -4.64 117.46 125.43 2f05 n PHE 50 Ca 0.16 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.58 2f05 n PHE 50 Cb 0.38 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.07 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 0.00 1.50 0.00 -4.13 3.52 -1.26 -4.93 118.95 113.66 2f05 s ARG 51 Ca 0.00 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 2f05 s ARG 51 Cb 0.00 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.77 2f05 s ARG 51 CO 0.00 0.42 0.00 0.41 -0.81 0.00 0.00 175.30 175.32 2f05 n GLY 52 N 1.87 1.24 3.44 8.12 0.00 -1.26 -4.72 105.19 113.88 2f05 n GLY 52 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.98 0.49 1.61 -2.45 -1.26 -4.95 119.30 115.72 2f05 s MET 53 Ca 0.00 -1.07 -0.20 0.00 -1.25 0.00 0.00 55.69 53.17 2f05 s MET 53 Cb 0.00 -4.02 -0.08 0.00 1.25 0.00 0.00 34.83 31.98 2f05 s MET 53 CO 0.00 -0.83 1.03 -1.12 1.05 0.00 0.00 175.02 175.15 2f05 s SER 54 N 1.92 6.36 0.26 1.11 0.01 -1.26 -4.74 113.70 117.36 2f05 s SER 54 Ca 0.06 1.89 -0.02 0.00 1.31 0.00 0.00 55.95 59.18 2f05 s SER 54 Cb -0.20 -2.55 0.55 0.00 0.21 0.00 0.00 66.02 64.03 2f05 s SER 54 CO 0.10 -0.77 1.68 -0.08 0.41 0.00 0.00 173.24 174.57 2f05 h GLU 55 N 1.48 0.26 -0.54 12.44 4.81 -1.97 0.35 114.58 131.41 2f05 h GLU 55 Ca -0.49 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2f05 h GLU 55 Cb 1.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2f05 h GLU 55 CO 0.59 0.17 0.24 1.49 -0.73 0.00 0.00 179.01 180.77 2f05 h GLU 56 N 0.27 0.79 0.00 1.92 4.81 -1.98 0.20 114.58 120.58 2f05 h GLU 56 Ca 0.47 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 2f05 h GLU 56 Cb 0.84 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2f05 h GLU 56 CO -0.55 0.67 -0.41 1.05 -0.73 0.00 0.00 179.01 179.03 2f05 h GLU 57 N 0.72 0.00 0.38 1.92 4.11 -1.38 -0.91 114.58 119.42 2f05 h GLU 57 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 2f05 h GLU 57 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2f05 h GLU 57 CO -0.02 0.41 -0.18 0.28 0.07 0.00 0.00 179.01 179.57 2f05 h VAL 58 N 0.00 0.63 -0.03 -1.06 2.07 0.15 -2.89 116.25 115.12 2f05 h VAL 58 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2f05 h VAL 58 Cb 1.12 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2f05 h VAL 58 CO 0.05 0.06 0.02 0.15 0.02 0.00 0.00 177.57 177.87 2f05 h PHE 59 N -0.67 0.03 0.07 1.57 3.57 -0.40 -1.82 116.94 119.29 2f05 h PHE 59 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 59 Cb 0.48 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2f05 h PHE 59 CO -0.01 0.02 -0.07 1.15 -2.23 0.00 0.00 178.31 177.16 2f05 h THR 60 N 0.03 0.83 -0.00 4.41 2.02 -0.97 0.42 112.91 119.65 2f05 h THR 60 Ca 0.01 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.05 2f05 h THR 60 Cb 0.02 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2f05 h THR 60 CO -0.00 0.00 -0.66 -0.33 0.37 0.00 0.00 175.52 174.90 2f05 h GLU 61 N -0.16 0.02 -0.35 6.66 5.08 -1.19 -0.21 114.58 124.43 2f05 h GLU 61 Ca 0.01 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2f05 h GLU 61 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2f05 h GLU 61 CO -0.02 0.67 -0.37 0.28 -1.00 0.00 0.00 179.01 178.57 2f05 h VAL 62 N 0.02 1.28 -0.16 3.13 2.07 -1.19 0.12 116.25 121.51 2f05 h VAL 62 Ca -0.01 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2f05 h VAL 62 Cb 1.17 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2f05 h VAL 62 CO 0.09 0.51 0.07 0.00 0.02 0.00 0.00 177.57 178.26 2f05 h ALA 63 N 0.75 0.21 -0.60 1.67 0.00 0.09 -1.66 119.26 119.71 2f05 h ALA 63 Ca 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2f05 h ALA 63 Cb 0.97 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2f05 h ALA 63 CO 0.09 -0.21 0.40 -0.97 0.00 0.00 0.00 179.25 178.56 2f05 h ASN 64 N 0.12 0.49 0.03 0.00 -1.24 -0.94 -0.63 115.58 113.40 2f05 h ASN 64 Ca 0.05 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 2f05 h ASN 64 Cb 0.16 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2f05 h ASN 64 CO -0.01 0.32 -0.01 0.25 -1.29 0.00 0.00 177.43 176.69 2f05 h LEU 65 N 0.56 -0.03 -3.91 0.34 7.12 -0.34 -3.20 115.31 115.85 2f05 h LEU 65 Ca 0.26 -0.30 -0.61 0.00 0.13 0.00 0.00 57.88 57.36 2f05 h LEU 65 Cb 0.31 0.01 -0.32 0.00 -0.53 0.00 0.00 40.66 40.13 2f05 h LEU 65 CO -0.08 0.28 0.40 0.49 -0.13 0.00 0.00 178.44 179.41 2f05 n PHE 66 N -4.96 3.00 -1.80 1.25 3.72 -0.66 -4.97 117.46 113.04 2f05 n PHE 66 Ca -0.08 -2.69 -0.41 0.00 -0.05 0.00 0.00 57.45 54.22 2f05 n PHE 66 Cb 0.18 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 37.58 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 -3.71 2.85 0.00 -1.08 1.81 -0.29 -0.38 118.95 118.15 2f05 s ARG 67 Ca 0.60 1.43 0.00 0.00 -1.72 0.00 0.00 55.73 56.04 2f05 s ARG 67 Cb 0.48 -4.37 0.00 0.00 -0.45 0.00 0.00 34.95 30.61 2f05 s ARG 67 CO 0.01 -2.42 0.00 0.41 -0.68 0.00 0.00 175.30 172.62 2f05 n GLY 68 N 5.70 1.37 3.27 -3.53 0.00 -1.26 -5.03 105.19 105.71 2f05 n GLY 68 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 3.91 0.54 1.61 -1.52 0.49 -4.85 119.66 119.83 2f05 s GLN 69 Ca 0.00 -3.20 0.32 0.00 -1.95 0.00 0.00 55.36 50.53 2f05 s GLN 69 Cb 0.00 -4.38 1.31 0.00 -0.22 0.00 0.00 33.01 29.72 2f05 s GLN 69 CO 0.00 -1.25 1.96 0.93 -0.25 0.00 0.00 175.29 176.68 2f05 h GLU 70 N 6.53 0.00 -0.16 2.91 5.08 -1.96 -2.69 114.58 124.28 2f05 h GLU 70 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2f05 h GLU 70 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2f05 h GLU 70 CO 0.96 0.02 0.07 -0.44 -1.00 0.00 0.00 179.01 178.62 2f05 h ASP 71 N 0.00 0.22 -0.43 1.42 5.19 -1.95 -1.25 116.42 119.63 2f05 h ASP 71 Ca -0.00 -0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.19 2f05 h ASP 71 Cb 0.54 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 2f05 h ASP 71 CO 0.00 0.31 0.02 -0.07 -3.12 0.00 0.00 179.24 176.38 2f05 h LEU 72 N 0.12 0.78 -0.69 1.55 3.38 -1.87 0.24 115.31 118.83 2f05 h LEU 72 Ca 0.06 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2f05 h LEU 72 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2f05 h LEU 72 CO -0.01 0.84 -0.24 -0.07 0.09 0.00 0.00 178.44 179.05 2f05 h LEU 73 N 0.77 0.77 -0.09 1.67 3.38 -1.34 0.99 115.31 121.45 2f05 h LEU 73 Ca 0.15 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2f05 h LEU 73 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2f05 h LEU 73 CO 0.02 0.98 -0.17 0.28 0.09 0.00 0.00 178.44 179.64 2f05 h SER 74 N 0.66 0.30 0.12 -0.43 0.02 -0.65 -2.87 113.55 110.69 2f05 h SER 74 Ca 0.09 -0.56 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 2f05 h SER 74 Cb 0.75 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2f05 h SER 74 CO 0.06 0.80 -0.18 -0.33 -1.14 0.00 0.00 176.83 176.04 2f05 h GLU 75 N -0.19 0.14 -0.42 3.45 5.08 -0.25 0.11 114.58 122.49 2f05 h GLU 75 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2f05 h GLU 75 Cb 0.75 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2f05 h GLU 75 CO 0.04 0.32 0.13 0.35 -1.00 0.00 0.00 179.01 178.85 2f05 h PHE 76 N 0.13 0.68 0.00 4.33 3.57 -0.84 -0.52 116.94 124.28 2f05 h PHE 76 Ca 0.02 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 76 Cb 0.41 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2f05 h PHE 76 CO 0.00 0.63 0.00 0.78 -2.23 0.00 0.00 178.31 177.49 2f05 h GLY 77 N 0.54 0.00 0.50 2.40 0.00 -1.02 -0.89 103.07 104.60 2f05 h GLY 77 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 2f05 h GLY 77 CO -0.00 0.00 -0.43 1.46 0.00 0.00 0.00 176.54 177.56 2f05 h GLN 78 N 0.00 0.22 -0.15 4.80 1.08 -0.41 -3.36 115.11 117.29 2f05 h GLN 78 Ca 0.00 -0.29 -0.21 0.00 -1.45 0.00 0.00 58.65 56.70 2f05 h GLN 78 Cb 0.51 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2f05 h GLN 78 CO 0.00 1.06 -0.74 0.35 -0.95 0.00 0.00 178.83 178.55 2f05 h PHE 79 N -0.48 0.95 -3.36 2.96 3.57 -0.91 -3.46 116.94 116.22 2f05 h PHE 79 Ca -0.07 -0.41 -0.54 0.00 3.53 0.00 0.00 57.97 60.48 2f05 h PHE 79 Cb 1.25 -0.15 0.09 0.00 2.79 0.00 0.00 35.95 39.93 2f05 h PHE 79 CO 0.20 1.23 0.84 1.28 -2.23 0.00 0.00 178.31 179.62 2f05 n LEU 80 N -3.92 4.36 -4.71 0.59 4.77 -0.36 -4.92 117.00 112.81 2f05 n LEU 80 Ca -0.06 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 2f05 n LEU 80 Cb 0.72 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 2f05 n LEU 80 CO 0.52 0.11 1.30 -2.16 -1.33 0.00 0.00 177.39 175.82 2f05 s PRO 81 N -0.82 4.19 0.00 3.23 0.04 -1.26 -2.54 135.00 137.84 2f05 s PRO 81 Ca 0.62 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2f05 s PRO 81 Cb -0.50 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2f05 s PRO 81 CO 0.52 -0.68 0.00 0.39 0.04 0.00 0.00 177.00 177.27 2f05 n GLU 82 N 4.42 -0.52 0.07 4.56 1.02 -1.26 -4.82 120.64 124.11 2f05 n GLU 82 Ca 0.15 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2f05 n GLU 82 Cb 0.38 -3.89 0.06 0.00 -0.02 0.00 0.00 31.44 27.97 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 0.00 0.68 0.00 0.62 0.00 -1.75 -2.89 119.26 115.91 2f05 h ALA 83 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2f05 h ALA 83 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2f05 h ALA 83 CO 0.00 0.77 -0.36 1.57 0.00 0.00 0.00 179.25 181.23 2f05 h LYS 84 N 0.22 0.00 0.00 0.00 2.10 -1.74 -3.49 116.57 113.65 2f05 h LYS 84 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2f05 h LYS 84 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2f05 h LYS 84 CO 0.11 0.00 0.00 -2.13 -2.00 0.00 0.00 179.45 175.43