#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 -4.60 -4.72 4.31 7.64 -1.26 -4.52 113.62 110.47 2f05 n SER 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2f05 n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2f05 n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2f05 s ASP 3 N -4.00 6.51 -0.41 6.43 -4.77 -1.26 -4.89 116.67 114.29 2f05 s ASP 3 Ca 0.00 2.70 0.05 0.00 -3.30 0.00 0.00 52.55 52.00 2f05 s ASP 3 Cb 0.00 -2.59 0.44 0.00 -1.09 0.00 0.00 42.92 39.67 2f05 s ASP 3 CO 0.00 -0.88 1.27 -1.20 0.70 0.00 0.00 175.17 175.06 2f05 n SER 4 N 4.02 5.19 -0.03 2.11 7.64 -1.26 -4.73 113.62 126.55 2f05 n SER 4 Ca 0.15 -3.75 -0.14 0.00 1.01 0.00 0.00 58.87 56.14 2f05 n SER 4 Cb 0.37 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.99 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 2.24 1.53 0.00 0.44 2.07 -1.96 0.14 116.25 120.71 2f05 h VAL 5 Ca 0.37 -1.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 2f05 h VAL 5 Cb 1.17 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 2f05 h VAL 5 CO 0.89 0.42 -0.51 -0.33 0.02 0.00 0.00 177.57 178.07 2f05 h GLU 6 N -0.62 0.00 -0.39 1.57 4.39 -1.98 0.15 114.58 117.71 2f05 h GLU 6 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2f05 h GLU 6 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2f05 h GLU 6 CO 0.01 0.51 0.02 0.35 -1.16 0.00 0.00 179.01 178.74 2f05 h PHE 7 N 0.00 0.72 -0.48 4.33 3.57 -1.86 0.31 116.94 123.53 2f05 h PHE 7 Ca -0.01 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 2f05 h PHE 7 Cb 0.94 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2f05 h PHE 7 CO 0.00 0.74 0.07 -0.97 -2.23 0.00 0.00 178.31 175.92 2f05 h ASN 8 N 0.50 0.70 -0.04 0.41 -1.24 0.03 0.44 115.58 116.38 2f05 h ASN 8 Ca 0.11 -0.13 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 2f05 h ASN 8 Cb 0.43 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2f05 h ASN 8 CO 0.02 0.72 -0.33 0.78 -1.29 0.00 0.00 177.43 177.32 2f05 h ASN 9 N 0.72 0.54 -0.40 1.15 2.35 -0.63 0.15 115.58 119.46 2f05 h ASN 9 Ca 0.15 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 2f05 h ASN 9 Cb 0.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2f05 h ASN 9 CO 0.01 0.84 -0.13 0.00 -1.65 0.00 0.00 177.43 176.49 2f05 h ALA 10 N 1.20 0.90 -0.42 -0.83 0.00 0.81 -0.42 119.26 120.49 2f05 h ALA 10 Ca 0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2f05 h ALA 10 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2f05 h ALA 10 CO 0.06 0.63 -0.18 0.82 0.00 0.00 0.00 179.25 180.59 2f05 h ILE 11 N 0.77 1.27 -0.95 0.00 1.08 0.42 0.02 117.51 120.12 2f05 h ILE 11 Ca 0.12 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 2f05 h ILE 11 Cb 0.65 1.13 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 2f05 h ILE 11 CO 0.05 0.44 0.57 0.28 -0.69 0.00 0.00 178.15 178.79 2f05 h SER 12 N 0.72 1.15 -0.11 1.72 0.02 -0.24 0.77 113.55 117.57 2f05 h SER 12 Ca 0.11 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2f05 h SER 12 Cb 0.69 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2f05 h SER 12 CO 0.05 0.88 0.05 0.22 -1.14 0.00 0.00 176.83 176.89 2f05 h TYR 13 N 1.32 0.09 -0.48 3.45 3.20 -0.53 0.09 116.97 124.10 2f05 h TYR 13 Ca 0.34 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2f05 h TYR 13 Cb -0.06 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2f05 h TYR 13 CO 0.01 0.05 0.21 0.28 -1.64 0.00 0.00 178.16 177.07 2f05 h VAL 14 N 0.11 1.20 -0.87 1.81 2.07 -0.25 -1.55 116.25 118.77 2f05 h VAL 14 Ca 0.05 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2f05 h VAL 14 Cb 0.01 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2f05 h VAL 14 CO -0.04 0.23 0.57 -1.13 0.02 0.00 0.00 177.57 177.22 2f05 h ASN 15 N 0.64 0.89 -0.16 0.57 -1.24 0.75 0.27 115.58 117.29 2f05 h ASN 15 Ca 0.16 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 2f05 h ASN 15 Cb 0.16 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2f05 h ASN 15 CO -0.02 0.59 -0.28 0.50 -1.29 0.00 0.00 177.43 176.93 2f05 h LYS 16 N 1.02 0.64 -0.26 6.67 3.64 -0.53 -0.29 116.57 127.47 2f05 h LYS 16 Ca 0.36 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2f05 h LYS 16 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2f05 h LYS 16 CO -0.12 0.85 0.11 0.82 -2.27 0.00 0.00 179.45 178.84 2f05 h ILE 17 N 0.55 1.17 -0.52 2.00 2.04 -0.14 -0.80 117.51 121.82 2f05 h ILE 17 Ca 0.07 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.51 2f05 h ILE 17 Cb 0.77 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 2f05 h ILE 17 CO 0.06 0.17 0.11 0.11 0.00 0.00 0.00 178.15 178.60 2f05 h LYS 18 N 0.28 0.23 -0.11 2.37 1.57 -0.04 -0.77 116.57 120.10 2f05 h LYS 18 Ca 0.09 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 2f05 h LYS 18 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2f05 h LYS 18 CO -0.01 0.16 -0.76 0.00 -0.57 0.00 0.00 179.45 178.27 2f05 h THR 19 N 0.24 1.33 -0.01 -0.16 1.03 -0.94 -0.55 112.91 113.85 2f05 h THR 19 Ca 0.26 -2.06 -0.07 0.00 -0.01 0.00 0.00 66.41 64.53 2f05 h THR 19 Cb 0.36 2.05 -0.01 0.00 -1.07 0.00 0.00 68.15 69.48 2f05 h THR 19 CO -0.34 0.64 -0.33 0.03 -0.01 0.00 0.00 175.52 175.51 2f05 h ARG 20 N 0.40 0.03 -0.41 0.00 2.47 -0.47 -2.72 114.38 113.67 2f05 h ARG 20 Ca -0.04 -0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.36 2f05 h ARG 20 Cb 1.36 -0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 29.37 2f05 h ARG 20 CO 0.14 0.35 -0.81 1.19 0.56 0.00 0.00 179.97 181.40 2f05 n PHE 21 N -4.14 1.44 -0.24 3.04 3.72 -0.36 -4.84 117.46 116.08 2f05 n PHE 21 Ca -0.02 -1.82 0.02 0.00 -0.05 0.00 0.00 57.45 55.57 2f05 n PHE 21 Cb 0.38 -0.28 0.24 0.00 -0.94 0.00 0.00 39.48 38.88 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 1.81 0.88 -1.39 4.37 6.46 -0.76 -0.54 115.31 126.15 2f05 h LEU 22 Ca 0.11 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2f05 h LEU 22 Cb 1.39 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2f05 h LEU 22 CO 0.38 0.62 -0.17 0.47 -0.62 0.00 0.00 178.44 179.12 2f05 n ASP 23 N -4.44 2.32 -3.58 1.25 8.00 -1.26 -4.54 116.55 114.30 2f05 n ASP 23 Ca 0.10 -1.69 -0.27 0.00 0.71 0.00 0.00 54.79 53.64 2f05 n ASP 23 Cb 0.08 0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.60 3.02 0.27 1.24 8.25 -0.21 -4.91 115.22 123.47 2f05 n HIS 24 Ca 0.13 -4.14 0.16 0.00 -0.26 0.00 0.00 57.72 53.62 2f05 n HIS 24 Cb 0.50 -0.53 0.58 0.00 1.12 0.00 0.00 29.99 31.67 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 4.68 0.00 -0.77 -0.41 0.11 -1.80 -2.79 132.00 131.03 2f05 h PRO 25 Ca 0.18 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.34 2f05 h PRO 25 Cb 0.72 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 2f05 h PRO 25 CO 0.75 0.00 0.51 1.05 -0.21 0.00 0.00 178.00 180.10 2f05 h GLU 26 N 0.00 0.83 -0.11 1.05 4.11 -1.91 0.46 114.58 119.02 2f05 h GLU 26 Ca -0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 2f05 h GLU 26 Cb 0.61 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2f05 h GLU 26 CO 0.00 0.55 -0.22 0.82 0.07 0.00 0.00 179.01 180.23 2f05 h ILE 27 N 0.86 1.39 0.02 -1.06 2.04 -1.85 0.34 117.51 119.24 2f05 h ILE 27 Ca 0.33 -1.52 0.03 0.00 1.00 0.00 0.00 64.86 64.70 2f05 h ILE 27 Cb 0.19 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2f05 h ILE 27 CO -0.11 0.44 -0.19 0.22 0.00 0.00 0.00 178.15 178.51 2f05 h TYR 28 N -0.10 -0.50 -0.39 1.37 3.20 -1.48 -0.33 116.97 118.73 2f05 h TYR 28 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2f05 h TYR 28 Cb 0.82 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 2f05 h TYR 28 CO 0.11 -0.27 -0.08 0.00 -1.64 0.00 0.00 178.16 176.28 2f05 h ARG 29 N -0.32 0.67 0.00 1.82 3.08 -0.89 -1.59 114.38 117.14 2f05 h ARG 29 Ca 0.05 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 2f05 h ARG 29 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2f05 h ARG 29 CO -0.17 0.74 -0.45 0.77 -1.07 0.00 0.00 179.97 179.79 2f05 h SER 30 N 0.62 0.00 -0.22 7.04 0.02 -0.39 -1.58 113.55 119.03 2f05 h SER 30 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2f05 h SER 30 Cb 0.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2f05 h SER 30 CO 0.03 0.45 -0.21 0.15 -1.14 0.00 0.00 176.83 176.10 2f05 h PHE 31 N 0.00 0.64 -0.58 3.45 3.57 -0.37 -2.51 116.94 121.14 2f05 h PHE 31 Ca -0.00 -0.19 0.09 0.00 3.53 0.00 0.00 57.97 61.40 2f05 h PHE 31 Cb 0.79 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2f05 h PHE 31 CO 0.00 0.87 0.39 -0.07 -2.23 0.00 0.00 178.31 177.27 2f05 h LEU 32 N 0.22 0.36 -0.53 0.59 3.38 -0.89 0.23 115.31 118.67 2f05 h LEU 32 Ca 0.04 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 32 Cb 0.76 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2f05 h LEU 32 CO 0.05 0.22 -0.64 1.05 0.09 0.00 0.00 178.44 179.21 2f05 h GLU 33 N 0.40 0.37 -0.31 1.13 4.11 -1.10 0.34 114.58 119.52 2f05 h GLU 33 Ca 0.27 -0.27 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2f05 h GLU 33 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2f05 h GLU 33 CO -0.07 0.89 -0.24 0.82 0.07 0.00 0.00 179.01 180.47 2f05 h ILE 34 N 0.27 1.30 -0.48 -1.06 2.04 -0.58 0.58 117.51 119.59 2f05 h ILE 34 Ca -0.01 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 2f05 h ILE 34 Cb 1.18 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2f05 h ILE 34 CO 0.11 0.45 0.03 0.25 0.00 0.00 0.00 178.15 178.99 2f05 h LEU 35 N 0.46 0.80 -0.07 1.44 7.12 -0.50 0.44 115.31 125.00 2f05 h LEU 35 Ca 0.06 -0.29 0.01 0.00 0.13 0.00 0.00 57.88 57.79 2f05 h LEU 35 Cb 0.80 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 2f05 h LEU 35 CO 0.06 0.89 0.02 -0.74 -0.13 0.00 0.00 178.44 178.54 2f05 h HIS 36 N 0.68 0.03 -0.56 1.25 2.76 -0.83 0.58 115.15 119.06 2f05 h HIS 36 Ca 0.14 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.41 2f05 h HIS 36 Cb 0.46 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.33 2f05 h HIS 36 CO 0.03 0.01 0.11 1.15 -1.30 0.00 0.00 177.93 177.94 2f05 h THR 37 N 0.05 0.67 -0.47 6.26 2.02 -0.55 -1.84 112.91 119.04 2f05 h THR 37 Ca 0.03 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2f05 h THR 37 Cb 0.02 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2f05 h THR 37 CO -0.04 0.04 0.01 0.22 0.37 0.00 0.00 175.52 176.13 2f05 h TYR 38 N 0.24 0.82 0.00 3.16 3.20 0.41 -1.99 116.97 122.82 2f05 h TYR 38 Ca 0.29 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2f05 h TYR 38 Cb 0.41 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2f05 h TYR 38 CO -0.24 0.76 -0.35 1.96 -1.64 0.00 0.00 178.16 178.64 2f05 h GLN 39 N 0.73 0.00 0.00 1.82 1.08 -0.10 -0.41 115.11 118.23 2f05 h GLN 39 Ca 0.15 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 2f05 h GLN 39 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2f05 h GLN 39 CO 0.02 0.35 -0.29 0.87 -0.95 0.00 0.00 178.83 178.82 2f05 h LYS 40 N 0.00 0.00 0.00 1.46 6.56 -0.74 0.24 116.57 124.09 2f05 h LYS 40 Ca -0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 2f05 h LYS 40 Cb 0.69 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 2f05 h LYS 40 CO 0.05 0.29 -0.99 0.93 -2.06 0.00 0.00 179.45 177.67 2f05 h GLU 41 N 0.00 0.00 0.01 3.15 4.39 -1.04 -3.35 114.58 117.74 2f05 h GLU 41 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2f05 h GLU 41 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2f05 h GLU 41 CO 0.04 0.34 -0.16 1.96 -1.16 0.00 0.00 179.01 180.03 2f05 h GLN 42 N 0.00 0.09 0.00 2.33 1.08 -0.84 -3.46 115.11 114.31 2f05 h GLN 42 Ca -0.08 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2f05 h GLN 42 Cb 1.44 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 2f05 h GLN 42 CO 0.05 0.91 0.00 1.28 -0.95 0.00 0.00 178.83 180.12 2f05 n LEU 43 N -4.57 0.00 0.08 1.46 7.99 0.83 -5.08 117.00 117.71 2f05 n LEU 43 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2f05 n LEU 43 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2f05 n LEU 43 CO 0.37 -0.02 -0.02 1.57 -1.51 0.00 0.00 177.39 177.78 2f05 n HIS 44 N -0.05 -1.31 0.00 -1.77 -0.00 -1.25 -4.75 115.22 106.09 2f05 n HIS 44 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2f05 n HIS 44 Cb 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2f05 n HIS 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2f05 n THR 45 N -3.06 0.00 -3.65 3.57 -1.04 -1.26 -4.71 114.28 104.13 2f05 n THR 45 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2f05 n THR 45 Cb 0.02 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.47 2f05 n THR 45 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2f05 s LYS 46 N 0.00 0.03 -0.94 -2.82 -2.85 -1.26 -5.06 119.74 106.83 2f05 s LYS 46 Ca 0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 55.97 54.93 2f05 s LYS 46 Cb 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 2f05 s LYS 46 CO 0.00 -0.01 0.80 0.41 0.10 0.00 0.00 175.35 176.66 2f05 n GLY 47 N 1.08 -1.17 3.86 0.59 0.00 -1.26 -5.00 105.19 103.29 2f05 n GLY 47 Ca -0.05 0.53 -0.32 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 -4.22 3.89 0.83 1.61 0.52 -1.26 -5.09 118.95 115.23 2f05 s ARG 48 Ca 0.28 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.92 2f05 s ARG 48 Cb -0.05 -2.48 0.16 0.00 0.52 0.00 0.00 34.95 33.10 2f05 s ARG 48 CO 0.77 0.15 1.14 -1.25 0.02 0.00 0.00 175.30 176.14 2f05 s PRO 49 N -3.16 1.19 -1.24 3.54 0.04 -1.26 -4.96 135.00 129.14 2f05 s PRO 49 Ca 0.52 -0.86 -0.14 0.00 0.04 0.00 0.00 61.00 60.55 2f05 s PRO 49 Cb -0.10 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.45 2f05 s PRO 49 CO 0.22 -1.88 1.57 0.34 0.04 0.00 0.00 177.00 177.28 2f05 n PHE 50 N -3.24 4.66 -2.77 0.56 -0.00 -1.26 -4.47 117.46 110.94 2f05 n PHE 50 Ca 0.16 -3.19 -0.09 0.00 -0.00 0.00 0.00 57.45 54.33 2f05 n PHE 50 Cb 0.60 -2.27 0.05 0.00 -0.00 0.00 0.00 39.48 37.86 2f05 n PHE 50 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2f05 n ARG 51 N 6.02 0.80 -2.15 -4.13 3.00 -1.26 -5.04 116.66 113.90 2f05 n ARG 51 Ca 0.40 -1.83 -0.42 0.00 -0.00 0.00 0.00 57.85 56.00 2f05 n ARG 51 Cb 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 1.50 3.62 3.59 5.14 0.00 -1.26 -4.92 105.19 112.85 2f05 n GLY 52 Ca 0.09 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 3.50 3.28 0.45 1.61 1.75 -1.26 -4.99 119.30 123.64 2f05 s MET 53 Ca 0.50 0.96 -0.06 0.00 -1.25 0.00 0.00 55.69 55.84 2f05 s MET 53 Cb 0.09 -4.16 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 2f05 s MET 53 CO -0.01 -1.93 0.76 -1.12 -0.65 0.00 0.00 175.02 172.06 2f05 s SER 54 N 5.47 6.34 0.20 1.11 0.01 -1.26 -4.75 113.70 120.82 2f05 s SER 54 Ca 0.67 0.94 -0.19 0.00 1.31 0.00 0.00 55.95 58.68 2f05 s SER 54 Cb -0.16 -2.25 0.18 0.00 0.21 0.00 0.00 66.02 64.00 2f05 s SER 54 CO 0.30 -0.50 1.58 -0.08 0.41 0.00 0.00 173.24 174.94 2f05 h GLU 55 N 0.58 -0.10 -0.73 12.44 4.22 -1.96 0.49 114.58 129.52 2f05 h GLU 55 Ca -0.47 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 2f05 h GLU 55 Cb 1.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2f05 h GLU 55 CO 0.62 -0.06 0.38 1.49 -2.18 0.00 0.00 179.01 179.26 2f05 h GLU 56 N -0.10 1.04 0.00 1.92 4.81 -1.95 0.23 114.58 120.53 2f05 h GLU 56 Ca 0.28 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2f05 h GLU 56 Cb 0.57 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2f05 h GLU 56 CO -0.78 0.79 -0.20 1.05 -0.73 0.00 0.00 179.01 179.13 2f05 h GLU 57 N 1.02 0.00 0.32 1.92 4.11 -1.44 -1.40 114.58 119.10 2f05 h GLU 57 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.67 2f05 h GLU 57 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2f05 h GLU 57 CO -0.04 0.20 -0.15 0.28 0.07 0.00 0.00 179.01 179.37 2f05 h VAL 58 N 0.00 0.70 0.00 -1.06 2.07 0.73 -2.37 116.25 116.32 2f05 h VAL 58 Ca -0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2f05 h VAL 58 Cb 1.10 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2f05 h VAL 58 CO 0.03 0.09 -0.01 0.15 0.02 0.00 0.00 177.57 177.84 2f05 h PHE 59 N -0.67 0.00 -0.26 1.57 3.57 -0.42 0.23 116.94 120.95 2f05 h PHE 59 Ca -0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 59 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2f05 h PHE 59 CO 0.00 0.01 0.15 1.15 -2.23 0.00 0.00 178.31 177.40 2f05 h THR 60 N 0.00 1.11 -0.33 4.41 2.02 -1.07 0.38 112.91 119.42 2f05 h THR 60 Ca -0.00 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 2f05 h THR 60 Cb 0.02 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2f05 h THR 60 CO 0.00 0.10 -0.30 -0.33 0.37 0.00 0.00 175.52 175.37 2f05 h GLU 61 N 0.32 0.71 -0.20 6.66 4.39 -0.46 -0.73 114.58 125.27 2f05 h GLU 61 Ca 0.09 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.29 2f05 h GLU 61 Cb 0.03 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2f05 h GLU 61 CO -0.02 0.92 -0.61 0.28 -1.16 0.00 0.00 179.01 178.42 2f05 h VAL 62 N 0.60 1.30 -0.10 3.13 2.07 -1.08 0.86 116.25 123.03 2f05 h VAL 62 Ca 0.07 -1.85 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 2f05 h VAL 62 Cb 0.81 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2f05 h VAL 62 CO 0.07 0.58 -0.39 0.00 0.02 0.00 0.00 177.57 177.85 2f05 h ALA 63 N 0.80 1.17 0.00 1.67 0.00 -0.00 0.18 119.26 123.07 2f05 h ALA 63 Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2f05 h ALA 63 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2f05 h ALA 63 CO 0.12 0.56 -0.57 -0.97 0.00 0.00 0.00 179.25 178.40 2f05 h ASN 64 N 0.17 0.00 0.18 0.00 -1.24 -0.92 -1.73 115.58 112.04 2f05 h ASN 64 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2f05 h ASN 64 Cb 0.77 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2f05 h ASN 64 CO 0.06 0.57 -0.09 0.25 -1.29 0.00 0.00 177.43 176.93 2f05 h LEU 65 N 0.00 -0.20 -4.89 0.34 7.12 -0.05 -3.35 115.31 114.28 2f05 h LEU 65 Ca -0.01 -0.10 -0.76 0.00 0.13 0.00 0.00 57.88 57.15 2f05 h LEU 65 Cb 1.10 0.05 -0.28 0.00 -0.53 0.00 0.00 40.66 41.01 2f05 h LEU 65 CO 0.07 0.31 1.01 0.49 -0.13 0.00 0.00 178.44 180.19 2f05 n PHE 66 N -4.93 3.01 -1.69 1.25 3.72 0.57 -5.00 117.46 114.40 2f05 n PHE 66 Ca -0.04 -2.40 -0.52 0.00 -0.05 0.00 0.00 57.45 54.43 2f05 n PHE 66 Cb 0.15 -1.19 -0.06 0.00 -0.94 0.00 0.00 39.48 37.44 2f05 n PHE 66 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f05 n ARG 67 N -0.57 1.69 0.00 -1.08 1.74 -0.65 -0.77 116.66 117.01 2f05 n ARG 67 Ca 0.54 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 58.24 2f05 n ARG 67 Cb 0.28 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f05 n GLY 68 N 4.19 2.65 3.07 -0.13 0.00 -1.26 -4.91 105.19 108.79 2f05 n GLY 68 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.81 0.11 1.61 1.13 0.05 -4.80 117.38 117.29 2f05 n GLN 69 Ca 0.00 -3.97 0.16 0.00 -1.94 0.00 0.00 57.00 51.25 2f05 n GLN 69 Cb 0.00 -2.79 0.71 0.00 0.11 0.00 0.00 30.24 28.27 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 6.01 0.00 -0.41 -1.09 4.39 -1.91 -1.68 114.58 119.89 2f05 h GLU 70 Ca 0.30 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.08 2f05 h GLU 70 Cb 0.70 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 2f05 h GLU 70 CO 1.41 0.00 -0.05 -0.44 -1.16 0.00 0.00 179.01 178.77 2f05 h ASP 71 N 0.00 -0.27 0.70 1.42 5.19 -1.94 0.36 116.42 121.87 2f05 h ASP 71 Ca 0.15 0.11 -0.15 0.00 -0.62 0.00 0.00 57.03 56.52 2f05 h ASP 71 Cb 0.65 0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 2f05 h ASP 71 CO -0.00 -0.09 -0.72 -0.07 -3.12 0.00 0.00 179.24 175.23 2f05 h LEU 72 N 0.05 0.02 -0.02 1.55 3.38 -1.68 -1.82 115.31 116.79 2f05 h LEU 72 Ca 0.20 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 2f05 h LEU 72 Cb 0.30 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2f05 h LEU 72 CO -0.38 0.74 -0.60 -0.07 0.09 0.00 0.00 178.44 178.22 2f05 h LEU 73 N 0.01 0.56 -0.20 1.67 3.38 -1.20 -1.99 115.31 117.54 2f05 h LEU 73 Ca -0.01 -0.74 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 2f05 h LEU 73 Cb 1.28 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2f05 h LEU 73 CO 0.10 1.22 -0.10 0.28 0.09 0.00 0.00 178.44 180.02 2f05 h SER 74 N -0.05 0.43 0.86 -0.43 0.02 -0.32 -2.83 113.55 111.24 2f05 h SER 74 Ca -0.07 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2f05 h SER 74 Cb 1.29 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2f05 h SER 74 CO 0.12 0.76 0.00 -0.62 -1.14 0.00 0.00 176.83 175.94 2f05 n GLU 75 N -4.56 0.21 -0.13 3.45 -0.58 -0.69 -2.23 120.64 116.11 2f05 n GLU 75 Ca -0.05 0.39 -0.02 0.00 -0.42 0.00 0.00 57.16 57.06 2f05 n GLU 75 Cb 0.33 -1.87 0.21 0.00 -0.57 0.00 0.00 31.44 29.54 2f05 n GLU 75 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2f05 h PHE 76 N 0.00 0.85 0.00 -0.32 3.57 -1.09 0.26 116.94 120.21 2f05 h PHE 76 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2f05 h PHE 76 Cb 0.43 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2f05 h PHE 76 CO 0.00 0.69 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 2f05 n GLY 77 N -0.94 -1.34 0.07 2.40 0.00 -0.95 -1.96 105.19 102.48 2f05 n GLY 77 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2f05 n GLY 77 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 78 N -2.08 0.67 -0.04 1.61 1.13 -0.51 -4.39 117.38 113.76 2f05 n GLN 78 Ca 0.03 -0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.89 2f05 n GLN 78 Cb 0.27 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 28.98 2f05 n GLN 78 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2f05 h PHE 79 N 0.00 0.88 -4.06 1.08 3.57 -0.01 -3.48 116.94 114.92 2f05 h PHE 79 Ca -0.29 -0.36 -0.35 0.00 3.53 0.00 0.00 57.97 60.51 2f05 h PHE 79 Cb 1.69 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 40.19 2f05 h PHE 79 CO 0.00 1.15 -0.33 1.47 -2.23 0.00 0.00 178.31 178.38 2f05 n LEU 80 N -4.13 0.00 0.00 0.59 -0.00 -0.83 -5.08 117.00 107.55 2f05 n LEU 80 Ca -0.07 -2.21 -0.01 0.00 -0.00 0.00 0.00 56.01 53.73 2f05 n LEU 80 Cb 0.62 1.07 0.01 0.00 -0.00 0.00 0.00 43.42 45.12 2f05 n LEU 80 CO 0.48 -0.36 0.03 -0.81 -0.00 0.00 0.00 177.39 176.73 2f05 n PRO 81 N -0.49 -0.36 -1.77 1.47 -0.04 -1.26 -4.57 135.00 127.98 2f05 n PRO 81 Ca 0.03 -0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2f05 n PRO 81 Cb 0.42 -0.05 -0.04 0.00 -0.04 0.00 0.00 33.50 33.80 2f05 n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f05 n GLU 82 N -1.25 -1.04 0.13 0.54 4.71 -1.26 -4.89 120.64 117.58 2f05 n GLU 82 Ca 0.01 0.86 -0.01 0.00 -0.01 0.00 0.00 57.16 58.01 2f05 n GLU 82 Cb 0.02 -5.04 0.15 0.00 -1.01 0.00 0.00 31.44 25.56 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 0.28 0.89 0.00 0.62 0.00 -1.81 -2.93 119.26 116.31 2f05 h ALA 83 Ca -0.31 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 2f05 h ALA 83 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2f05 h ALA 83 CO 0.41 0.80 -0.62 0.87 0.00 0.00 0.00 179.25 180.71 2f05 h LYS 84 N 0.00 0.00 -0.01 0.00 1.79 -1.93 -3.51 116.57 112.91 2f05 h LYS 84 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2f05 h LYS 84 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2f05 h LYS 84 CO 0.08 0.62 0.00 -2.13 -1.08 0.00 0.00 179.45 176.94