#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 1.73 -3.61 1.62 7.64 -1.26 -4.89 113.62 114.86 2f05 n SER 2 Ca 0.00 0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 2f05 n SER 2 Cb 0.00 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.35 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 -6.73 1.36 -1.18 6.43 2.15 -1.26 -5.07 116.67 112.37 2f05 s ASP 3 Ca -0.30 -0.08 -0.08 0.00 0.43 0.00 0.00 52.55 52.52 2f05 s ASP 3 Cb 0.10 0.13 0.23 0.00 -0.30 0.00 0.00 42.92 43.08 2f05 s ASP 3 CO 0.40 -0.29 1.58 -1.20 -0.17 0.00 0.00 175.17 175.49 2f05 n SER 4 N 5.31 5.63 0.20 -0.34 7.64 -1.26 -4.78 113.62 126.03 2f05 n SER 4 Ca -0.05 -3.19 -0.15 0.00 1.01 0.00 0.00 58.87 56.49 2f05 n SER 4 Cb 0.50 -1.41 -0.08 0.00 -1.01 0.00 0.00 64.21 62.21 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 3.75 0.59 0.00 0.44 2.07 -1.98 0.24 116.25 121.35 2f05 h VAL 5 Ca 0.29 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.71 2f05 h VAL 5 Cb 0.69 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2f05 h VAL 5 CO 1.39 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 178.16 2f05 h GLU 6 N -0.50 0.00 -0.32 1.57 5.08 -1.99 0.07 114.58 118.48 2f05 h GLU 6 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2f05 h GLU 6 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2f05 h GLU 6 CO 0.04 0.49 -0.18 0.35 -1.00 0.00 0.00 179.01 178.70 2f05 h PHE 7 N 0.00 0.81 -0.44 4.33 3.57 -1.89 0.76 116.94 124.08 2f05 h PHE 7 Ca -0.00 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 2f05 h PHE 7 Cb 0.90 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2f05 h PHE 7 CO 0.00 0.92 0.17 -0.91 -2.23 0.00 0.00 178.31 176.27 2f05 h ASN 8 N 0.46 0.57 -0.22 0.41 2.35 0.18 0.57 115.58 119.91 2f05 h ASN 8 Ca 0.07 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2f05 h ASN 8 Cb 0.72 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2f05 h ASN 8 CO 0.05 0.52 0.11 0.78 -1.65 0.00 0.00 177.43 177.24 2f05 h ASN 9 N 0.63 0.28 -0.64 5.81 2.35 -0.63 0.14 115.58 123.52 2f05 h ASN 9 Ca 0.15 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2f05 h ASN 9 Cb 0.13 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 2f05 h ASN 9 CO -0.01 0.31 0.41 0.00 -1.65 0.00 0.00 177.43 176.49 2f05 h ALA 10 N 0.98 0.82 -0.40 -0.83 0.00 0.27 -1.38 119.26 118.72 2f05 h ALA 10 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2f05 h ALA 10 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2f05 h ALA 10 CO -0.01 0.20 0.18 0.82 0.00 0.00 0.00 179.25 180.44 2f05 h ILE 11 N 0.83 1.18 -0.28 0.00 1.08 0.40 0.30 117.51 121.02 2f05 h ILE 11 Ca 0.24 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2f05 h ILE 11 Cb -0.05 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2f05 h ILE 11 CO -0.07 0.20 0.11 0.28 -0.69 0.00 0.00 178.15 177.98 2f05 h SER 12 N 0.51 0.34 -0.07 1.72 0.02 -0.65 0.70 113.55 116.12 2f05 h SER 12 Ca 0.14 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2f05 h SER 12 Cb 0.14 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2f05 h SER 12 CO -0.02 0.31 -0.16 0.22 -1.14 0.00 0.00 176.83 176.05 2f05 h TYR 13 N 0.38 0.29 -0.46 3.45 3.20 -0.51 -2.54 116.97 120.78 2f05 h TYR 13 Ca 0.10 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2f05 h TYR 13 Cb 0.07 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2f05 h TYR 13 CO 0.00 0.76 0.10 0.28 -1.64 0.00 0.00 178.16 177.66 2f05 h VAL 14 N -0.27 1.24 -0.81 1.81 2.07 0.40 -1.96 116.25 118.73 2f05 h VAL 14 Ca -0.00 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2f05 h VAL 14 Cb 0.75 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2f05 h VAL 14 CO 0.03 0.30 0.53 -1.13 0.02 0.00 0.00 177.57 177.33 2f05 h ASN 15 N 0.62 0.83 -0.38 0.57 -1.24 0.31 0.29 115.58 116.58 2f05 h ASN 15 Ca 0.14 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2f05 h ASN 15 Cb 0.35 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2f05 h ASN 15 CO 0.00 0.55 0.21 0.50 -1.29 0.00 0.00 177.43 177.41 2f05 h LYS 16 N 0.95 0.53 -0.21 6.67 3.64 -1.05 -1.19 116.57 125.91 2f05 h LYS 16 Ca 0.33 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2f05 h LYS 16 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2f05 h LYS 16 CO -0.11 0.42 0.10 0.82 -2.27 0.00 0.00 179.45 178.42 2f05 h ILE 17 N 0.49 1.13 -0.77 2.00 2.04 -0.38 -0.62 117.51 121.39 2f05 h ILE 17 Ca 0.13 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.78 2f05 h ILE 17 Cb 0.04 0.99 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 2f05 h ILE 17 CO -0.02 0.12 0.33 0.11 0.00 0.00 0.00 178.15 178.68 2f05 h LYS 18 N 0.21 0.46 -0.10 2.37 1.57 -0.17 -0.42 116.57 120.49 2f05 h LYS 18 Ca 0.07 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 2f05 h LYS 18 Cb 0.10 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.31 2f05 h LYS 18 CO -0.01 0.30 -0.50 1.15 -0.57 0.00 0.00 179.45 179.82 2f05 h THR 19 N 0.47 1.37 -0.07 -0.16 2.02 -1.04 -0.89 112.91 114.61 2f05 h THR 19 Ca 0.43 -1.83 -0.07 0.00 0.77 0.00 0.00 66.41 65.71 2f05 h THR 19 Cb 0.64 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2f05 h THR 19 CO -0.40 0.55 -0.28 0.03 0.37 0.00 0.00 175.52 175.79 2f05 h ARG 20 N 0.12 0.13 -0.35 6.66 2.47 -0.32 -2.46 114.38 120.63 2f05 h ARG 20 Ca -0.03 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.39 2f05 h ARG 20 Cb 1.15 -0.01 -0.21 0.00 -1.65 0.00 0.00 29.97 29.25 2f05 h ARG 20 CO 0.10 0.40 -0.67 1.19 0.56 0.00 0.00 179.97 181.56 2f05 n PHE 21 N -4.17 1.28 0.06 3.04 3.72 -0.24 -4.71 117.46 116.44 2f05 n PHE 21 Ca -0.01 -1.82 -0.01 0.00 -0.05 0.00 0.00 57.45 55.56 2f05 n PHE 21 Cb 0.36 -0.29 0.29 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.57 0.36 -0.73 4.37 6.46 -0.65 -1.09 115.31 125.60 2f05 h LEU 22 Ca 0.16 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2f05 h LEU 22 Cb 1.27 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2f05 h LEU 22 CO 0.35 0.56 0.00 -0.78 -0.62 0.00 0.00 178.44 177.96 2f05 h ASP 23 N 0.34 0.00 -2.52 1.25 3.58 -1.84 -3.38 116.42 113.84 2f05 h ASP 23 Ca 0.06 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.92 2f05 h ASP 23 Cb 0.52 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.19 2f05 h ASP 23 CO 0.03 0.00 -0.90 -1.00 -2.88 0.00 0.00 179.24 174.49 2f05 s HIS 24 N -3.41 1.43 0.57 0.28 3.76 -0.42 -4.97 115.29 112.53 2f05 s HIS 24 Ca 0.04 -2.41 0.26 0.00 -0.15 0.00 0.00 55.06 52.80 2f05 s HIS 24 Cb 0.08 -1.20 1.68 0.00 1.11 0.00 0.00 32.58 34.26 2f05 s HIS 24 CO 0.58 -0.79 2.22 -1.35 -0.85 0.00 0.00 174.74 174.55 2f05 h PRO 25 N 5.76 0.00 0.00 8.40 0.11 -1.75 -2.02 132.00 142.49 2f05 h PRO 25 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 2f05 h PRO 25 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2f05 h PRO 25 CO 0.41 0.00 -0.08 1.05 -0.21 0.00 0.00 178.00 179.17 2f05 h GLU 26 N 0.00 0.00 -0.17 1.05 4.11 -1.93 0.12 114.58 117.76 2f05 h GLU 26 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.36 2f05 h GLU 26 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2f05 h GLU 26 CO -0.00 0.08 -0.19 0.82 0.07 0.00 0.00 179.01 179.79 2f05 h ILE 27 N 0.00 1.34 -0.06 -1.06 2.04 -1.70 0.34 117.51 118.41 2f05 h ILE 27 Ca -0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2f05 h ILE 27 Cb 0.18 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2f05 h ILE 27 CO 0.01 0.41 0.04 0.22 0.00 0.00 0.00 178.15 178.83 2f05 h TYR 28 N 0.08 0.08 0.14 1.37 3.20 -1.48 -2.27 116.97 118.10 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 0.74 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2f05 h TYR 28 CO 0.08 0.08 -0.31 -0.09 -1.64 0.00 0.00 178.16 176.29 2f05 h ARG 29 N 0.06 -0.52 0.00 1.82 2.43 -0.66 0.12 114.38 117.62 2f05 h ARG 29 Ca 0.02 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 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 -0.35 -0.19 0.77 -1.51 0.00 0.00 179.97 178.69 2f05 h SER 30 N -0.54 0.00 -0.07 -3.80 0.02 -0.27 -0.51 113.55 108.39 2f05 h SER 30 Ca 0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 2f05 h SER 30 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2f05 h SER 30 CO -0.17 0.19 -0.70 0.15 -1.14 0.00 0.00 176.83 175.17 2f05 h PHE 31 N 0.00 0.92 -0.86 3.45 3.57 -0.94 -3.21 116.94 119.87 2f05 h PHE 31 Ca -0.00 -0.38 0.09 0.00 3.53 0.00 0.00 57.97 61.20 2f05 h PHE 31 Cb 0.37 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 2f05 h PHE 31 CO 0.00 1.19 0.56 -0.07 -2.23 0.00 0.00 178.31 177.76 2f05 h LEU 32 N 0.50 0.79 -1.25 0.59 3.38 0.81 -0.72 115.31 119.41 2f05 h LEU 32 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2f05 h LEU 32 Cb 1.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2f05 h LEU 32 CO 0.14 0.48 -0.06 1.05 0.09 0.00 0.00 178.44 180.14 2f05 h GLU 33 N 0.88 0.44 -0.22 1.13 4.11 -1.35 0.37 114.58 119.95 2f05 h GLU 33 Ca 0.39 -0.10 -0.04 0.00 0.07 0.00 0.00 59.36 59.68 2f05 h GLU 33 Cb 0.35 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2f05 h GLU 33 CO -0.16 0.52 -0.03 0.82 0.07 0.00 0.00 179.01 180.23 2f05 h ILE 34 N 0.42 1.27 -0.51 -1.06 2.04 -1.21 -0.51 117.51 117.95 2f05 h ILE 34 Ca 0.09 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 2f05 h ILE 34 Cb 0.38 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2f05 h ILE 34 CO 0.02 0.30 -0.08 0.25 0.00 0.00 0.00 178.15 178.63 2f05 h LEU 35 N 0.14 0.96 -0.40 1.44 7.12 -0.48 0.45 115.31 124.54 2f05 h LEU 35 Ca 0.06 -0.34 -0.04 0.00 0.13 0.00 0.00 57.88 57.68 2f05 h LEU 35 Cb 0.46 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 2f05 h LEU 35 CO 0.02 1.08 0.08 0.45 -0.13 0.00 0.00 178.44 179.94 2f05 h HIS 36 N 0.83 0.69 -0.05 1.25 3.86 -0.19 -2.39 115.15 119.14 2f05 h HIS 36 Ca 0.14 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 2f05 h HIS 36 Cb 0.64 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2f05 h HIS 36 CO 0.05 0.67 -0.45 0.00 0.86 0.00 0.00 177.93 179.06 2f05 h THR 37 N 0.51 1.33 -0.77 2.45 1.03 -0.93 -2.90 112.91 113.63 2f05 h THR 37 Ca 0.12 -1.57 -0.02 0.00 -0.01 0.00 0.00 66.41 64.93 2f05 h THR 37 Cb 0.34 1.79 -0.04 0.00 -1.07 0.00 0.00 68.15 69.17 2f05 h THR 37 CO 0.00 0.46 0.42 0.22 -0.01 0.00 0.00 175.52 176.61 2f05 h TYR 38 N 0.09 1.04 -0.65 0.00 3.20 -0.54 0.76 116.97 120.87 2f05 h TYR 38 Ca 0.01 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2f05 h TYR 38 Cb 0.83 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 2f05 h TYR 38 CO 0.01 0.73 0.43 1.96 -1.64 0.00 0.00 178.16 179.64 2f05 h GLN 39 N 1.07 0.54 0.08 1.82 1.08 -1.22 -0.27 115.11 118.21 2f05 h GLN 39 Ca 0.27 -0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 57.12 2f05 h GLN 39 Cb 0.03 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2f05 h GLN 39 CO -0.04 0.36 -1.76 1.63 -0.95 0.00 0.00 178.83 178.06 2f05 n LYS 40 N -4.48 0.69 0.26 1.46 4.01 -0.80 -4.29 118.16 115.00 2f05 n LYS 40 Ca 0.10 0.37 0.18 0.00 -0.51 0.00 0.00 58.31 58.45 2f05 n LYS 40 Cb 0.31 -1.71 0.80 0.00 -0.51 0.00 0.00 35.03 33.92 2f05 n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2f05 h GLU 41 N -0.34 0.00 0.00 1.97 3.07 -0.59 -2.00 114.58 116.70 2f05 h GLU 41 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2f05 h GLU 41 Cb 1.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.67 2f05 h GLU 41 CO -0.03 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.58 2f05 n GLN 42 N -2.87 0.02 -2.46 2.33 10.64 -0.14 -4.62 117.38 120.28 2f05 n GLN 42 Ca -0.00 0.10 -0.26 0.00 -1.83 0.00 0.00 57.00 55.00 2f05 n GLN 42 Cb 0.20 -1.52 0.03 0.00 -0.86 0.00 0.00 30.24 28.09 2f05 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2f05 s LEU 43 N -3.10 3.27 0.40 2.61 2.01 -0.75 -4.98 118.68 118.14 2f05 s LEU 43 Ca 0.11 0.65 0.09 0.00 0.01 0.00 0.00 54.13 54.99 2f05 s LEU 43 Cb 0.15 -3.48 0.88 0.00 0.01 0.00 0.00 46.19 43.76 2f05 s LEU 43 CO 0.45 -1.04 1.98 1.12 1.01 0.00 0.00 176.35 179.87 2f05 h HIS 44 N -0.12 0.59 -1.37 0.29 2.07 -1.86 -3.49 115.15 111.27 2f05 h HIS 44 Ca -0.45 0.02 0.13 0.00 -2.85 0.00 0.00 60.37 57.21 2f05 h HIS 44 Cb 1.26 -0.19 -0.07 0.00 2.57 0.00 0.00 27.41 30.97 2f05 h HIS 44 CO 0.46 0.31 -0.50 2.41 -3.07 0.00 0.00 177.93 177.55 2f05 n THR 45 N -4.48 -0.41 -2.14 6.12 -1.04 -1.26 -4.28 114.28 106.79 2f05 n THR 45 Ca 0.09 0.39 -0.29 0.00 -2.04 0.00 0.00 64.05 62.20 2f05 n THR 45 Cb 0.26 -0.58 0.02 0.00 -1.82 0.00 0.00 70.33 68.21 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 -3.57 3.25 3.44 -2.82 -2.85 -1.26 -4.65 119.74 111.28 2f05 s LYS 46 Ca 0.00 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 2f05 s LYS 46 Cb 0.00 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2f05 s LYS 46 CO 0.00 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.21 2f05 n GLY 47 N -2.68 2.00 3.10 0.59 0.00 -1.26 -4.71 105.19 102.22 2f05 n GLY 47 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.30 -1.08 1.61 3.52 -1.26 -5.06 118.95 116.97 2f05 s ARG 48 Ca 0.00 0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.57 2f05 s ARG 48 Cb 0.00 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.56 2f05 s ARG 48 CO 0.00 -0.05 1.64 -1.25 -0.81 0.00 0.00 175.30 174.83 2f05 s PRO 49 N -0.14 3.44 -0.22 5.12 0.04 -1.26 -4.83 135.00 137.15 2f05 s PRO 49 Ca -0.02 -1.20 -0.08 0.00 0.04 0.00 0.00 61.00 59.74 2f05 s PRO 49 Cb -0.02 -5.35 0.10 0.00 0.04 0.00 0.00 34.50 29.26 2f05 s PRO 49 CO 0.01 -2.54 0.47 0.12 0.04 0.00 0.00 177.00 175.09 2f05 s PHE 50 N 6.07 -0.89 0.00 0.56 5.36 -1.26 -4.87 117.98 122.95 2f05 s PHE 50 Ca 0.53 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 58.18 2f05 s PHE 50 Cb -0.00 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 2f05 s PHE 50 CO -0.02 -0.51 0.00 0.54 -1.46 0.00 0.00 175.22 173.77 2f05 n ARG 51 N 5.30 -0.53 -2.41 10.12 3.00 -1.26 -4.98 116.66 125.90 2f05 n ARG 51 Ca -0.10 0.13 -0.42 0.00 -0.01 0.00 0.00 57.85 57.45 2f05 n ARG 51 Cb 0.50 -3.63 -0.03 0.00 0.00 0.00 0.00 32.46 29.30 2f05 n ARG 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2f05 s GLY 52 N -2.00 2.43 -0.65 -0.13 0.00 -1.26 -4.85 107.32 100.86 2f05 s GLY 52 Ca 0.00 0.87 -0.28 0.00 0.00 0.00 0.00 44.72 45.32 2f05 s GLY 52 CO 0.00 2.02 2.51 -0.13 0.00 0.00 0.00 173.10 177.49 2f05 n MET 53 N 3.70 0.71 -2.93 2.90 1.56 -1.26 -4.90 117.12 116.91 2f05 n MET 53 Ca 0.08 -0.01 -0.33 0.00 -0.27 0.00 0.00 57.70 57.18 2f05 n MET 53 Cb 0.46 -2.85 -0.06 0.00 2.15 0.00 0.00 33.22 32.92 2f05 n MET 53 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2f05 s SER 54 N 11.25 6.83 0.34 6.12 0.01 -1.26 -4.56 113.70 132.43 2f05 s SER 54 Ca 1.10 1.48 0.12 0.00 1.31 0.00 0.00 55.95 59.96 2f05 s SER 54 Cb -0.51 -2.46 0.93 0.00 0.21 0.00 0.00 66.02 64.20 2f05 s SER 54 CO 0.33 -0.31 1.74 -0.08 0.41 0.00 0.00 173.24 175.33 2f05 h GLU 55 N 1.95 0.53 -0.09 12.44 4.81 -1.92 0.26 114.58 132.55 2f05 h GLU 55 Ca -0.48 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2f05 h GLU 55 Cb 1.18 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2f05 h GLU 55 CO 0.63 0.35 0.04 1.49 -0.73 0.00 0.00 179.01 180.79 2f05 h GLU 56 N 0.54 0.13 0.00 1.92 4.81 -1.92 0.13 114.58 120.19 2f05 h GLU 56 Ca 0.64 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.78 2f05 h GLU 56 Cb 1.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2f05 h GLU 56 CO -0.44 0.23 -0.28 1.05 -0.73 0.00 0.00 179.01 178.85 2f05 h GLU 57 N 0.00 0.00 0.35 1.92 4.11 -1.21 -1.21 114.58 118.55 2f05 h GLU 57 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2f05 h GLU 57 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2f05 h GLU 57 CO -0.00 0.28 -0.17 0.28 0.07 0.00 0.00 179.01 179.47 2f05 h VAL 58 N 0.00 0.65 -0.50 -1.06 2.07 -0.32 -2.92 116.25 114.18 2f05 h VAL 58 Ca -0.00 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2f05 h VAL 58 Cb 0.92 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2f05 h VAL 58 CO 0.04 0.07 0.33 0.15 0.02 0.00 0.00 177.57 178.18 2f05 h PHE 59 N -0.69 0.49 -0.08 1.57 3.57 -0.39 -1.49 116.94 119.92 2f05 h PHE 59 Ca -0.05 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2f05 h PHE 59 Cb 0.48 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2f05 h PHE 59 CO -0.00 0.28 -0.12 1.15 -2.23 0.00 0.00 178.31 177.39 2f05 h THR 60 N 0.50 0.68 0.00 4.41 2.02 -1.11 0.38 112.91 119.80 2f05 h THR 60 Ca 0.21 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 2f05 h THR 60 Cb 0.20 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2f05 h THR 60 CO -0.05 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.11 2f05 h GLU 61 N -0.16 0.00 -0.14 6.66 5.08 -1.10 0.11 114.58 125.03 2f05 h GLU 61 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2f05 h GLU 61 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2f05 h GLU 61 CO -0.18 0.40 -0.27 0.28 -1.00 0.00 0.00 179.01 178.24 2f05 h VAL 62 N 0.00 1.37 -0.08 3.13 2.07 -0.98 0.96 116.25 122.71 2f05 h VAL 62 Ca -0.00 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2f05 h VAL 62 Cb 0.91 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2f05 h VAL 62 CO 0.05 0.45 -0.17 0.00 0.02 0.00 0.00 177.57 177.92 2f05 h ALA 63 N 0.55 1.56 0.00 1.67 0.00 0.06 -1.09 119.26 122.01 2f05 h ALA 63 Ca 0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2f05 h ALA 63 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2f05 h ALA 63 CO 0.06 0.32 -0.73 -0.97 0.00 0.00 0.00 179.25 177.93 2f05 h ASN 64 N 0.12 0.00 0.28 0.00 -1.24 -0.66 -2.59 115.58 111.50 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 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2f05 h ASN 64 CO 0.03 0.73 -0.13 0.25 -1.29 0.00 0.00 177.43 177.01 2f05 h LEU 65 N 0.00 -0.32 -4.18 0.34 7.12 0.37 -3.31 115.31 115.33 2f05 h LEU 65 Ca -0.01 -0.19 -0.64 0.00 0.13 0.00 0.00 57.88 57.16 2f05 h LEU 65 Cb 1.31 0.08 -0.26 0.00 -0.53 0.00 0.00 40.66 41.27 2f05 h LEU 65 CO 0.10 0.16 0.84 0.49 -0.13 0.00 0.00 178.44 179.89 2f05 n PHE 66 N -5.04 2.88 -1.79 1.25 3.72 -0.55 -4.97 117.46 112.96 2f05 n PHE 66 Ca -0.08 -2.69 -0.42 0.00 -0.05 0.00 0.00 57.45 54.22 2f05 n PHE 66 Cb 0.25 -1.33 -0.03 0.00 -0.94 0.00 0.00 39.48 37.43 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 -3.52 4.16 0.00 -1.08 0.52 -0.97 -0.74 118.95 117.32 2f05 s ARG 67 Ca 0.57 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.26 2f05 s ARG 67 Cb 0.45 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2f05 s ARG 67 CO -0.11 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 174.75 2f05 n GLY 68 N 4.30 2.50 2.70 -3.53 0.00 -1.26 -4.93 105.19 104.98 2f05 n GLY 68 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.68 4.88 0.28 1.61 1.13 0.08 -4.76 117.38 119.93 2f05 n GLN 69 Ca 0.00 -4.57 0.15 0.00 -1.94 0.00 0.00 57.00 50.63 2f05 n GLN 69 Cb 0.00 -2.42 0.82 0.00 0.11 0.00 0.00 30.24 28.75 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 3.91 0.00 -0.92 -1.09 5.08 -1.92 -0.04 114.58 119.59 2f05 h GLU 70 Ca 0.49 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2f05 h GLU 70 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2f05 h GLU 70 CO 1.16 0.07 0.61 0.22 -1.00 0.00 0.00 179.01 180.07 2f05 h ASP 71 N 0.00 1.06 0.12 1.42 3.58 -1.93 -0.37 116.42 120.29 2f05 h ASP 71 Ca -0.00 -0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.25 2f05 h ASP 71 Cb 0.25 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 2f05 h ASP 71 CO 0.01 0.76 -0.64 -0.07 -2.88 0.00 0.00 179.24 176.42 2f05 h LEU 72 N 1.25 0.58 -0.41 2.28 3.38 -1.39 -2.81 115.31 118.19 2f05 h LEU 72 Ca 0.34 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2f05 h LEU 72 Cb -0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2f05 h LEU 72 CO -0.08 1.07 -0.01 -0.07 0.09 0.00 0.00 178.44 179.44 2f05 h LEU 73 N 0.36 0.72 -0.75 1.67 3.38 -1.01 0.28 115.31 119.96 2f05 h LEU 73 Ca -0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2f05 h LEU 73 Cb 1.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2f05 h LEU 73 CO 0.12 0.86 0.38 0.28 0.09 0.00 0.00 178.44 180.16 2f05 h SER 74 N 0.56 0.97 0.60 -0.43 0.02 -1.09 -2.68 113.55 111.50 2f05 h SER 74 Ca 0.11 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2f05 h SER 74 Cb 0.50 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2f05 h SER 74 CO 0.02 0.82 -0.54 -0.33 -1.14 0.00 0.00 176.83 175.67 2f05 h GLU 75 N 1.05 0.00 -0.34 3.45 5.08 -1.18 -2.91 114.58 119.72 2f05 h GLU 75 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2f05 h GLU 75 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2f05 h GLU 75 CO -0.04 0.54 0.22 0.35 -1.00 0.00 0.00 179.01 179.08 2f05 h PHE 76 N 0.00 0.44 0.00 4.33 3.57 -0.63 -1.66 116.94 123.00 2f05 h PHE 76 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2f05 h PHE 76 Cb 0.98 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 2f05 h PHE 76 CO 0.00 0.29 -0.06 0.78 -2.23 0.00 0.00 178.31 177.09 2f05 h GLY 77 N 0.46 0.00 1.00 2.40 0.00 -1.32 -1.44 103.07 104.17 2f05 h GLY 77 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 2f05 h GLY 77 CO -0.03 0.00 -0.41 1.46 0.00 0.00 0.00 176.54 177.57 2f05 h GLN 78 N 0.00 0.71 -0.12 4.80 4.20 -1.13 -3.26 115.11 120.31 2f05 h GLN 78 Ca -0.00 -0.44 -0.22 0.00 0.06 0.00 0.00 58.65 58.06 2f05 h GLN 78 Cb 0.44 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2f05 h GLN 78 CO 0.01 1.06 -0.79 0.35 -0.67 0.00 0.00 178.83 178.78 2f05 h PHE 79 N 0.43 0.91 -4.27 2.96 3.57 -0.97 -3.46 116.94 116.11 2f05 h PHE 79 Ca 0.02 -0.41 -0.48 0.00 3.53 0.00 0.00 57.97 60.63 2f05 h PHE 79 Cb 1.01 -0.14 0.12 0.00 2.79 0.00 0.00 35.95 39.73 2f05 h PHE 79 CO 0.08 1.23 0.32 -0.51 -2.23 0.00 0.00 178.31 177.20 2f05 s LEU 80 N -8.24 2.42 0.00 0.59 1.02 -0.59 -5.07 118.68 108.82 2f05 s LEU 80 Ca -0.09 1.21 -0.08 0.00 0.02 0.00 0.00 54.13 55.19 2f05 s LEU 80 Cb 0.09 -3.73 0.12 0.00 0.02 0.00 0.00 46.19 42.69 2f05 s LEU 80 CO 0.89 -2.16 0.36 -0.81 0.02 0.00 0.00 176.35 174.65 2f05 n PRO 81 N -3.54 -2.33 -2.06 1.29 -0.04 -1.26 -4.92 135.00 122.14 2f05 n PRO 81 Ca 0.07 -0.58 -0.23 0.00 -0.04 0.00 0.00 63.50 62.72 2f05 n PRO 81 Cb 0.57 -0.63 0.02 0.00 -0.04 0.00 0.00 33.50 33.42 2f05 n PRO 81 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f05 n GLU 82 N -2.99 3.52 0.20 0.54 0.28 -1.26 -4.79 120.64 116.13 2f05 n GLU 82 Ca 0.05 -4.13 0.07 0.00 -0.16 0.00 0.00 57.16 52.99 2f05 n GLU 82 Cb 0.21 -2.24 0.34 0.00 1.43 0.00 0.00 31.44 31.18 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f05 h ALA 83 N 2.20 0.96 0.00 -1.84 0.00 -1.99 -1.94 119.26 116.65 2f05 h ALA 83 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2f05 h ALA 83 Cb 1.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2f05 h ALA 83 CO 0.73 0.40 -0.21 1.57 0.00 0.00 0.00 179.25 181.74 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 5.09 -1.91 -3.48 116.57 116.24 2f05 h LYS 84 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2f05 h LYS 84 Cb 0.90 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.23 2f05 h LYS 84 CO 0.04 0.00 0.00 -2.13 -2.09 0.00 0.00 179.45 175.27