#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 -4.18 0.00 -1.84 7.64 -1.26 -4.82 113.62 109.17 2f05 n SER 2 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2f05 n SER 2 Cb 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 2f05 n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2f05 n ASP 3 N -0.15 0.00 -4.44 6.43 2.03 -1.26 -5.05 116.55 114.12 2f05 n ASP 3 Ca -0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 2f05 n ASP 3 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2f05 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f05 n SER 4 N 0.00 4.88 0.03 1.67 7.64 -1.26 -4.75 113.62 121.83 2f05 n SER 4 Ca 0.00 -2.93 -0.09 0.00 1.01 0.00 0.00 58.87 56.86 2f05 n SER 4 Cb 0.00 -1.70 -0.06 0.00 -1.01 0.00 0.00 64.21 61.44 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 5.15 0.69 -0.45 0.44 2.07 -1.97 -0.77 116.25 121.41 2f05 h VAL 5 Ca 0.44 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2f05 h VAL 5 Cb 0.84 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2f05 h VAL 5 CO 1.47 0.20 0.06 -0.33 0.02 0.00 0.00 177.57 178.99 2f05 h GLU 6 N -0.95 0.71 -0.68 1.57 4.39 -1.99 -1.53 114.58 116.10 2f05 h GLU 6 Ca -0.02 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 2f05 h GLU 6 Cb 0.47 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2f05 h GLU 6 CO 0.03 0.68 0.21 0.35 -1.16 0.00 0.00 179.01 179.12 2f05 h PHE 7 N 0.68 1.10 -0.51 4.33 3.57 -1.94 -1.28 116.94 122.89 2f05 h PHE 7 Ca 0.14 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2f05 h PHE 7 Cb 0.34 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2f05 h PHE 7 CO 0.02 0.88 0.14 -0.97 -2.23 0.00 0.00 178.31 176.15 2f05 h ASN 8 N 1.00 0.71 -0.19 0.41 -1.24 -0.15 0.44 115.58 116.55 2f05 h ASN 8 Ca 0.22 -0.11 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 2f05 h ASN 8 Cb 0.30 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 2f05 h ASN 8 CO -0.01 0.69 -0.19 0.78 -1.29 0.00 0.00 177.43 177.41 2f05 h ASN 9 N 0.74 0.62 -0.34 1.15 2.35 -0.96 0.51 115.58 119.65 2f05 h ASN 9 Ca 0.17 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 2f05 h ASN 9 Cb 0.25 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2f05 h ASN 9 CO -0.01 0.82 -0.34 0.00 -1.65 0.00 0.00 177.43 176.25 2f05 h ALA 10 N 1.24 0.51 -0.26 -0.83 0.00 -0.05 -3.07 119.26 116.79 2f05 h ALA 10 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2f05 h ALA 10 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2f05 h ALA 10 CO 0.05 0.57 0.11 0.82 0.00 0.00 0.00 179.25 180.79 2f05 h ILE 11 N 0.63 1.17 -0.99 0.00 1.08 0.46 -1.33 117.51 118.53 2f05 h ILE 11 Ca 0.06 -0.52 0.07 0.00 -0.39 0.00 0.00 64.86 64.08 2f05 h ILE 11 Cb 0.92 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 35.63 2f05 h ILE 11 CO 0.08 0.18 0.64 0.28 -0.69 0.00 0.00 178.15 178.64 2f05 h SER 12 N 0.27 1.01 -0.13 1.72 0.02 -0.96 0.77 113.55 116.25 2f05 h SER 12 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2f05 h SER 12 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2f05 h SER 12 CO -0.01 0.63 0.03 0.22 -1.14 0.00 0.00 176.83 176.56 2f05 h TYR 13 N 1.13 0.22 -0.21 3.45 3.20 -1.38 -2.26 116.97 121.12 2f05 h TYR 13 Ca 0.44 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 2f05 h TYR 13 Cb 0.22 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2f05 h TYR 13 CO -0.00 0.36 0.01 0.28 -1.64 0.00 0.00 178.16 177.17 2f05 h VAL 14 N 0.01 1.25 -0.78 1.81 2.07 -0.23 -2.86 116.25 117.53 2f05 h VAL 14 Ca 0.04 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.79 2f05 h VAL 14 Cb 0.25 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2f05 h VAL 14 CO 0.00 0.26 0.51 -1.13 0.02 0.00 0.00 177.57 177.23 2f05 h ASN 15 N 0.13 0.72 -0.32 0.57 -1.24 0.49 0.17 115.58 116.11 2f05 h ASN 15 Ca 0.06 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2f05 h ASN 15 Cb 0.38 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2f05 h ASN 15 CO 0.01 0.46 0.13 0.50 -1.29 0.00 0.00 177.43 177.24 2f05 h LYS 16 N 0.82 0.47 0.08 6.67 3.64 -1.30 -2.39 116.57 124.56 2f05 h LYS 16 Ca 0.34 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2f05 h LYS 16 Cb 0.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2f05 h LYS 16 CO -0.12 0.47 -0.04 0.82 -2.27 0.00 0.00 179.45 178.30 2f05 h ILE 17 N 0.37 0.93 -0.56 2.00 2.04 -0.77 -2.29 117.51 119.23 2f05 h ILE 17 Ca 0.11 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.04 2f05 h ILE 17 Cb 0.17 0.95 -0.11 0.00 -0.74 0.00 0.00 36.82 37.09 2f05 h ILE 17 CO -0.01 0.01 -0.17 0.11 0.00 0.00 0.00 178.15 178.09 2f05 h LYS 18 N -0.13 -0.03 -0.26 2.37 1.57 -0.60 -0.58 116.57 118.92 2f05 h LYS 18 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2f05 h LYS 18 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2f05 h LYS 18 CO 0.02 -0.02 -0.40 1.15 -0.57 0.00 0.00 179.45 179.63 2f05 h THR 19 N -0.03 1.30 0.00 -0.16 2.02 -1.38 -0.79 112.91 113.86 2f05 h THR 19 Ca 0.27 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2f05 h THR 19 Cb 0.44 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2f05 h THR 19 CO -0.59 0.50 0.00 0.03 0.37 0.00 0.00 175.52 175.83 2f05 h ARG 20 N 0.50 0.00 -0.29 6.66 2.47 -0.56 -2.98 114.38 120.18 2f05 h ARG 20 Ca 0.04 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.52 2f05 h ARG 20 Cb 0.91 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 28.91 2f05 h ARG 20 CO 0.08 0.00 -0.92 1.19 0.56 0.00 0.00 179.97 180.88 2f05 n PHE 21 N -3.04 0.97 0.24 3.04 3.72 -0.40 -4.88 117.46 117.10 2f05 n PHE 21 Ca 0.03 -1.56 0.07 0.00 -0.05 0.00 0.00 57.45 55.93 2f05 n PHE 21 Cb 0.44 -0.23 0.58 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.75 0.00 -1.12 4.37 6.46 -0.97 -0.79 115.31 125.01 2f05 h LEU 22 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2f05 h LEU 22 Cb 1.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 2f05 h LEU 22 CO 0.24 0.12 -0.16 -0.67 -0.62 0.00 0.00 178.44 177.36 2f05 n ASP 23 N -4.31 1.90 -3.84 1.25 2.03 -1.26 -4.64 116.55 107.68 2f05 n ASP 23 Ca -0.03 -1.50 -0.29 0.00 0.52 0.00 0.00 54.79 53.49 2f05 n ASP 23 Cb 0.20 0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.21 2.80 0.32 -0.67 3.76 -0.30 -4.94 115.29 114.05 2f05 s HIS 24 Ca 0.28 -2.95 0.01 0.00 -0.15 0.00 0.00 55.06 52.25 2f05 s HIS 24 Cb 0.20 -2.43 0.53 0.00 1.11 0.00 0.00 32.58 31.99 2f05 s HIS 24 CO 0.42 -0.72 1.94 -1.35 -0.85 0.00 0.00 174.74 174.18 2f05 h PRO 25 N 6.29 0.85 -0.38 8.40 0.11 -1.83 -2.69 132.00 142.76 2f05 h PRO 25 Ca 0.01 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2f05 h PRO 25 Cb 0.87 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2f05 h PRO 25 CO 0.62 0.64 0.22 1.05 -0.21 0.00 0.00 178.00 180.31 2f05 h GLU 26 N 0.85 0.51 -0.14 1.05 4.11 -1.92 0.17 114.58 119.21 2f05 h GLU 26 Ca 0.22 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.54 2f05 h GLU 26 Cb 0.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2f05 h GLU 26 CO -0.03 0.36 -0.18 0.82 0.07 0.00 0.00 179.01 180.05 2f05 h ILE 27 N 0.52 1.36 -0.05 -1.06 2.04 -1.82 0.25 117.51 118.74 2f05 h ILE 27 Ca 0.14 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2f05 h ILE 27 Cb -0.01 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2f05 h ILE 27 CO -0.02 0.41 0.03 0.22 0.00 0.00 0.00 178.15 178.78 2f05 h TYR 28 N -0.01 0.06 0.14 1.37 3.20 -1.44 -2.64 116.97 117.65 2f05 h TYR 28 Ca 0.02 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2f05 h TYR 28 Cb 0.73 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2f05 h TYR 28 CO 0.09 0.06 -0.30 -0.09 -1.64 0.00 0.00 178.16 176.29 2f05 h ARG 29 N 0.04 -0.51 0.00 1.82 2.43 -0.58 -0.25 114.38 117.34 2f05 h ARG 29 Ca 0.02 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2f05 h ARG 29 Cb 0.02 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2f05 h ARG 29 CO -0.00 -0.34 -0.20 0.77 -1.51 0.00 0.00 179.97 178.69 2f05 h SER 30 N -0.53 0.00 -0.10 -3.80 0.02 -0.46 -0.47 113.55 108.21 2f05 h SER 30 Ca 0.03 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 2f05 h SER 30 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2f05 h SER 30 CO -0.16 0.20 -0.85 0.15 -1.14 0.00 0.00 176.83 175.02 2f05 h PHE 31 N 0.00 1.05 -0.83 3.45 3.57 -1.10 -3.11 116.94 119.96 2f05 h PHE 31 Ca -0.00 -0.50 0.10 0.00 3.53 0.00 0.00 57.97 61.09 2f05 h PHE 31 Cb 0.36 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 2f05 h PHE 31 CO 0.00 1.33 0.54 -0.07 -2.23 0.00 0.00 178.31 177.89 2f05 h LEU 32 N 0.46 0.72 -1.17 0.59 3.38 0.09 0.31 115.31 119.69 2f05 h LEU 32 Ca -0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 32 Cb 1.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2f05 h LEU 32 CO 0.17 0.43 -0.04 1.05 0.09 0.00 0.00 178.44 180.14 2f05 h GLU 33 N 0.79 0.53 -0.23 1.13 4.11 -1.11 -1.23 114.58 118.58 2f05 h GLU 33 Ca 0.38 -0.12 -0.09 0.00 0.07 0.00 0.00 59.36 59.60 2f05 h GLU 33 Cb 0.43 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2f05 h GLU 33 CO -0.15 0.58 -0.21 0.82 0.07 0.00 0.00 179.01 180.12 2f05 h ILE 34 N 0.50 1.32 -0.58 -1.06 2.04 -0.92 -0.03 117.51 118.79 2f05 h ILE 34 Ca 0.10 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 2f05 h ILE 34 Cb 0.38 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2f05 h ILE 34 CO 0.02 0.42 0.02 0.25 0.00 0.00 0.00 178.15 178.86 2f05 h LEU 35 N 0.24 0.98 -0.56 1.44 7.12 -0.95 0.42 115.31 123.99 2f05 h LEU 35 Ca 0.04 -0.30 -0.09 0.00 0.13 0.00 0.00 57.88 57.66 2f05 h LEU 35 Cb 0.76 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2f05 h LEU 35 CO 0.05 1.04 -0.01 -0.74 -0.13 0.00 0.00 178.44 178.65 2f05 h HIS 36 N 0.90 1.10 -1.00 1.25 2.76 -1.17 0.40 115.15 119.38 2f05 h HIS 36 Ca 0.17 -0.19 0.07 0.00 -2.20 0.00 0.00 60.37 58.21 2f05 h HIS 36 Cb 0.53 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.13 2f05 h HIS 36 CO 0.04 0.99 0.65 1.15 -1.30 0.00 0.00 177.93 179.46 2f05 h THR 37 N 0.89 1.09 -0.08 6.26 2.02 -0.50 -0.71 112.91 121.88 2f05 h THR 37 Ca 0.16 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 2f05 h THR 37 Cb 0.56 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2f05 h THR 37 CO 0.03 0.21 -0.51 0.22 0.37 0.00 0.00 175.52 175.84 2f05 h TYR 38 N 1.17 0.27 0.00 3.16 3.20 0.49 -2.22 116.97 123.04 2f05 h TYR 38 Ca 0.43 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 2f05 h TYR 38 Cb 0.17 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2f05 h TYR 38 CO -0.00 0.69 -0.17 1.96 -1.64 0.00 0.00 178.16 179.00 2f05 h GLN 39 N 0.17 0.00 0.00 1.82 1.08 0.30 -2.10 115.11 116.38 2f05 h GLN 39 Ca 0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2f05 h GLN 39 Cb 0.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2f05 h GLN 39 CO 0.08 0.17 -0.14 0.87 -0.95 0.00 0.00 178.83 178.86 2f05 h LYS 40 N 0.00 0.00 -0.00 1.46 1.79 -0.53 0.33 116.57 119.62 2f05 h LYS 40 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2f05 h LYS 40 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2f05 h LYS 40 CO 0.02 0.14 -0.11 1.49 -1.08 0.00 0.00 179.45 179.91 2f05 h GLU 41 N 0.00 0.08 -0.01 3.15 4.22 -1.40 -3.34 114.58 117.28 2f05 h GLU 41 Ca -0.00 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.37 2f05 h GLU 41 Cb 0.32 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2f05 h GLU 41 CO 0.02 0.85 -0.03 1.96 -2.18 0.00 0.00 179.01 179.62 2f05 h GLN 42 N -0.66 -0.06 -4.12 1.92 1.08 -1.19 -3.32 115.11 108.77 2f05 h GLN 42 Ca -0.01 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.46 2f05 h GLN 42 Cb 0.89 0.01 -0.30 0.00 -0.05 0.00 0.00 27.48 28.03 2f05 h GLN 42 CO 0.02 -0.04 -0.31 -1.17 -0.95 0.00 0.00 178.83 176.38 2f05 s LEU 43 N -10.23 5.81 -0.41 1.46 1.98 0.11 -5.03 118.68 112.36 2f05 s LEU 43 Ca -0.13 -2.15 -0.20 0.00 -2.89 0.00 0.00 54.13 48.75 2f05 s LEU 43 Cb 0.07 -2.03 0.02 0.00 0.66 0.00 0.00 46.19 44.91 2f05 s LEU 43 CO 0.66 -0.64 0.59 -2.28 -1.89 0.00 0.00 176.35 172.79 2f05 s HIS 44 N 1.00 3.11 -0.90 5.38 5.65 -1.25 -4.52 115.29 123.76 2f05 s HIS 44 Ca 0.09 -0.01 -0.12 0.00 0.25 0.00 0.00 55.06 55.28 2f05 s HIS 44 Cb -0.23 -3.19 0.23 0.00 -1.18 0.00 0.00 32.58 28.21 2f05 s HIS 44 CO -0.02 -0.76 0.85 0.99 -0.65 0.00 0.00 174.74 175.15 2f05 s THR 45 N 2.64 5.57 0.17 0.89 2.01 -1.26 -5.01 115.64 120.65 2f05 s THR 45 Ca 0.21 -2.82 0.00 0.00 0.31 0.00 0.00 61.69 59.39 2f05 s THR 45 Cb -0.15 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 67.94 2f05 s THR 45 CO 0.17 -1.07 0.00 0.29 -0.69 0.00 0.00 174.62 173.32 2f05 n LYS 46 N 3.53 -1.50 0.00 4.92 5.02 -1.26 -5.01 118.16 123.85 2f05 n LYS 46 Ca 0.17 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2f05 n LYS 46 Cb 0.44 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.20 -1.82 3.85 0.72 0.00 -1.26 -4.95 105.19 99.52 2f05 n GLY 47 Ca 0.01 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 2.82 -0.21 1.61 0.52 -1.26 -4.94 118.95 117.50 2f05 s ARG 48 Ca 0.00 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 55.59 2f05 s ARG 48 Cb 0.00 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 33.41 2f05 s ARG 48 CO 0.00 -1.11 2.20 -2.30 0.02 0.00 0.00 175.30 174.11 2f05 n PRO 49 N -3.09 1.94 -3.60 3.54 -0.02 -1.26 -4.91 135.00 127.60 2f05 n PRO 49 Ca 0.07 0.55 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 2f05 n PRO 49 Cb 0.55 -3.14 -0.08 0.00 -0.02 0.00 0.00 33.50 30.81 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 7.90 -0.90 -1.83 6.00 5.36 -1.26 -5.02 117.98 128.24 2f05 s PHE 50 Ca 1.01 1.54 0.23 0.00 -0.96 0.00 0.00 56.93 58.75 2f05 s PHE 50 Cb -0.40 0.34 0.17 0.00 -0.34 0.00 0.00 43.02 42.79 2f05 s PHE 50 CO 0.37 -0.55 1.20 0.54 -1.46 0.00 0.00 175.22 175.32 2f05 n ARG 51 N 5.40 0.96 0.00 10.12 1.74 -1.26 -4.86 116.66 128.76 2f05 n ARG 51 Ca -0.08 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.25 2f05 n ARG 51 Cb 0.49 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2f05 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f05 n GLY 52 N 1.41 2.02 2.83 -0.13 0.00 -1.26 -4.12 105.19 105.94 2f05 n GLY 52 Ca 0.09 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.03 0.48 1.61 -2.45 -1.26 -5.11 119.30 112.59 2f05 s MET 53 Ca 0.00 0.48 -0.21 0.00 -1.25 0.00 0.00 55.69 54.72 2f05 s MET 53 Cb 0.00 -0.28 -0.08 0.00 1.25 0.00 0.00 34.83 35.72 2f05 s MET 53 CO 0.00 -0.27 1.05 -1.12 1.05 0.00 0.00 175.02 175.73 2f05 s SER 54 N 1.98 6.34 0.24 1.11 0.01 -1.26 -4.76 113.70 117.36 2f05 s SER 54 Ca 0.00 1.98 -0.08 0.00 1.31 0.00 0.00 55.95 59.17 2f05 s SER 54 Cb -0.12 -2.57 0.41 0.00 0.21 0.00 0.00 66.02 63.95 2f05 s SER 54 CO -0.05 -0.78 1.65 -0.08 0.41 0.00 0.00 173.24 174.38 2f05 h GLU 55 N 1.68 0.12 -0.56 12.44 4.81 -1.95 0.41 114.58 131.53 2f05 h GLU 55 Ca -0.49 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 2f05 h GLU 55 Cb 1.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2f05 h GLU 55 CO 0.59 0.08 0.03 1.49 -0.73 0.00 0.00 179.01 180.47 2f05 h GLU 56 N 0.13 0.94 0.00 1.92 4.81 -1.97 0.12 114.58 120.53 2f05 h GLU 56 Ca 0.39 -0.26 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 2f05 h GLU 56 Cb 0.68 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2f05 h GLU 56 CO -0.61 0.91 -0.80 1.05 -0.73 0.00 0.00 179.01 178.83 2f05 h GLU 57 N 0.88 0.00 0.32 1.92 4.11 -1.33 -1.20 114.58 119.28 2f05 h GLU 57 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 2f05 h GLU 57 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2f05 h GLU 57 CO 0.02 0.80 -0.22 0.28 0.07 0.00 0.00 179.01 179.96 2f05 h VAL 58 N 0.00 0.53 -0.58 -1.06 2.07 0.37 0.22 116.25 117.80 2f05 h VAL 58 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2f05 h VAL 58 Cb 1.48 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2f05 h VAL 58 CO 0.10 0.00 0.38 0.15 0.02 0.00 0.00 177.57 178.23 2f05 h PHE 59 N -0.54 0.68 0.02 1.57 3.57 -0.66 -2.11 116.94 119.48 2f05 h PHE 59 Ca -0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2f05 h PHE 59 Cb 0.46 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2f05 h PHE 59 CO -0.11 0.41 -0.01 1.15 -2.23 0.00 0.00 178.31 177.52 2f05 h THR 60 N 0.72 1.32 -0.20 4.41 2.02 -0.74 -2.31 112.91 118.13 2f05 h THR 60 Ca 0.22 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2f05 h THR 60 Cb 0.01 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2f05 h THR 60 CO -0.06 0.27 -0.08 -0.33 0.37 0.00 0.00 175.52 175.70 2f05 h GLU 61 N -0.48 0.31 -0.09 6.66 4.39 0.05 0.47 114.58 125.90 2f05 h GLU 61 Ca -0.00 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 2f05 h GLU 61 Cb 0.46 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2f05 h GLU 61 CO 0.00 0.41 -0.84 0.28 -1.16 0.00 0.00 179.01 177.70 2f05 h VAL 62 N 0.30 1.29 -0.09 3.13 2.07 -1.49 -0.63 116.25 120.83 2f05 h VAL 62 Ca 0.06 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.43 2f05 h VAL 62 Cb 0.33 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2f05 h VAL 62 CO 0.02 0.64 -0.38 0.00 0.02 0.00 0.00 177.57 177.87 2f05 h ALA 63 N 0.48 1.20 -0.68 1.67 0.00 -0.72 -0.80 119.26 120.39 2f05 h ALA 63 Ca -0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 63 Cb 1.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2f05 h ALA 63 CO 0.17 0.55 0.11 -0.97 0.00 0.00 0.00 179.25 179.11 2f05 h ASN 64 N 0.17 1.08 0.44 0.00 -1.24 0.02 -0.90 115.58 115.15 2f05 h ASN 64 Ca 0.02 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.75 2f05 h ASN 64 Cb 0.75 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2f05 h ASN 64 CO 0.06 1.06 -0.21 0.25 -1.29 0.00 0.00 177.43 177.30 2f05 h LEU 65 N 1.05 -0.50 -4.00 0.34 7.12 -0.50 -3.32 115.31 115.50 2f05 h LEU 65 Ca 0.21 -0.07 -0.67 0.00 0.13 0.00 0.00 57.88 57.49 2f05 h LEU 65 Cb 0.44 0.13 -0.29 0.00 -0.53 0.00 0.00 40.66 40.41 2f05 h LEU 65 CO 0.01 -0.08 0.86 0.49 -0.13 0.00 0.00 178.44 179.59 2f05 n PHE 66 N -5.18 3.22 -1.72 1.25 3.72 -0.36 -4.96 117.46 113.43 2f05 n PHE 66 Ca -0.09 -2.94 -0.42 0.00 -0.05 0.00 0.00 57.45 53.95 2f05 n PHE 66 Cb 0.28 -1.42 -0.03 0.00 -0.94 0.00 0.00 39.48 37.37 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 -3.79 4.11 0.00 -1.08 1.70 -0.34 -0.71 118.95 118.84 2f05 s ARG 67 Ca 0.64 2.53 0.00 0.00 -0.47 0.00 0.00 55.73 58.43 2f05 s ARG 67 Cb 0.51 -4.15 0.00 0.00 -0.57 0.00 0.00 34.95 30.74 2f05 s ARG 67 CO -0.00 -0.99 0.00 0.41 -1.08 0.00 0.00 175.30 173.64 2f05 n GLY 68 N 4.54 1.44 2.85 3.88 0.00 -1.26 -4.96 105.19 111.67 2f05 n GLY 68 Ca 0.20 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.28 0.26 1.61 1.13 0.11 -4.73 117.38 120.05 2f05 n GLN 69 Ca 0.00 -4.07 0.13 0.00 -1.94 0.00 0.00 57.00 51.13 2f05 n GLN 69 Cb 0.00 -2.67 0.69 0.00 0.11 0.00 0.00 30.24 28.37 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 5.32 0.00 -0.33 -1.09 5.08 -1.93 -1.76 114.58 119.87 2f05 h GLU 70 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2f05 h GLU 70 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2f05 h GLU 70 CO 1.45 0.12 0.19 0.22 -1.00 0.00 0.00 179.01 179.99 2f05 h ASP 71 N 0.00 0.40 -0.43 1.42 3.58 -1.95 -1.31 116.42 118.14 2f05 h ASP 71 Ca -0.00 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.28 2f05 h ASP 71 Cb 0.44 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2f05 h ASP 71 CO 0.02 0.35 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.54 2f05 h LEU 72 N 0.42 0.90 -1.46 2.28 3.38 -1.72 -2.55 115.31 116.55 2f05 h LEU 72 Ca 0.12 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2f05 h LEU 72 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2f05 h LEU 72 CO -0.02 1.03 -0.26 -0.07 0.09 0.00 0.00 178.44 179.20 2f05 h LEU 73 N 0.80 0.00 0.00 1.67 3.38 -1.14 0.14 115.31 120.17 2f05 h LEU 73 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 2f05 h LEU 73 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2f05 h LEU 73 CO 0.05 0.26 -1.13 0.28 0.09 0.00 0.00 178.44 177.99 2f05 h SER 74 N 0.00 0.60 1.45 -0.43 0.02 -0.95 -3.20 113.55 111.04 2f05 h SER 74 Ca -0.00 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 2f05 h SER 74 Cb 0.56 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2f05 h SER 74 CO 0.03 1.38 -0.36 -0.33 -1.14 0.00 0.00 176.83 176.41 2f05 h GLU 75 N 0.19 0.00 -0.57 3.45 5.08 -0.93 -3.20 114.58 118.60 2f05 h GLU 75 Ca -0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2f05 h GLU 75 Cb 1.80 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.00 2f05 h GLU 75 CO 0.20 0.36 0.30 0.35 -1.00 0.00 0.00 179.01 179.22 2f05 h PHE 76 N 0.00 0.55 0.00 4.33 3.57 -0.76 0.47 116.94 125.10 2f05 h PHE 76 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2f05 h PHE 76 Cb 1.18 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2f05 h PHE 76 CO 0.00 0.26 -0.06 0.78 -2.23 0.00 0.00 178.31 177.06 2f05 h GLY 77 N 0.57 0.00 1.20 2.40 0.00 -1.56 -1.95 103.07 103.73 2f05 h GLY 77 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.26 2f05 h GLY 77 CO -0.17 0.00 -1.55 -1.61 0.00 0.00 0.00 176.54 173.21 2f05 h GLN 78 N 0.00 0.40 0.00 4.80 4.15 -1.32 -3.31 115.11 119.83 2f05 h GLN 78 Ca -0.00 -0.69 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 2f05 h GLN 78 Cb 0.47 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2f05 h GLN 78 CO 0.01 1.31 -0.41 0.35 -1.93 0.00 0.00 178.83 178.15 2f05 h PHE 79 N 0.11 0.00 -3.75 3.99 3.57 -0.49 -3.45 116.94 116.92 2f05 h PHE 79 Ca -0.27 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.74 2f05 h PHE 79 Cb 2.09 0.00 0.05 0.00 2.79 0.00 0.00 35.95 40.88 2f05 h PHE 79 CO 0.10 0.41 0.19 -0.51 -2.23 0.00 0.00 178.31 176.27 2f05 s LEU 80 N -7.86 3.44 0.12 0.59 1.02 -0.78 -5.02 118.68 110.20 2f05 s LEU 80 Ca -0.02 0.97 -0.31 0.00 0.02 0.00 0.00 54.13 54.79 2f05 s LEU 80 Cb 0.14 -3.90 -0.10 0.00 0.02 0.00 0.00 46.19 42.34 2f05 s LEU 80 CO 0.72 -0.77 1.72 -2.16 0.02 0.00 0.00 176.35 175.88 2f05 s PRO 81 N -4.90 4.17 0.19 1.29 0.04 -1.26 -4.93 135.00 129.59 2f05 s PRO 81 Ca 0.51 2.48 -0.02 0.00 0.04 0.00 0.00 61.00 64.01 2f05 s PRO 81 Cb -0.10 -3.46 0.10 0.00 0.04 0.00 0.00 34.50 31.07 2f05 s PRO 81 CO 0.47 -0.76 1.47 1.05 0.04 0.00 0.00 177.00 179.27 2f05 h GLU 82 N 8.01 0.46 0.00 4.56 4.11 -1.92 -2.72 114.58 127.07 2f05 h GLU 82 Ca -0.44 -0.33 -0.10 0.00 0.07 0.00 0.00 59.36 58.56 2f05 h GLU 82 Cb 1.21 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2f05 h GLU 82 CO 0.94 0.95 -0.49 0.00 0.07 0.00 0.00 179.01 180.48 2f05 h ALA 83 N 0.97 0.94 0.00 1.06 0.00 -2.01 -2.45 119.26 117.76 2f05 h ALA 83 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2f05 h ALA 83 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2f05 h ALA 83 CO 0.11 0.61 -0.01 0.87 0.00 0.00 0.00 179.25 180.84 2f05 h LYS 84 N 0.00 0.00 -0.03 0.00 1.79 -1.94 -3.55 116.57 112.84 2f05 h LYS 84 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2f05 h LYS 84 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2f05 h LYS 84 CO 0.06 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.30