#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 1.87 -4.34 1.62 7.64 -1.26 -4.70 113.62 114.45 2f05 n SER 2 Ca 0.00 0.42 -0.45 0.00 1.01 0.00 0.00 58.87 59.85 2f05 n SER 2 Cb 0.00 -0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 62.19 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 -6.90 6.13 -0.81 6.43 -4.77 -1.26 -5.01 116.67 110.49 2f05 s ASP 3 Ca -0.30 -1.57 -0.17 0.00 -3.30 0.00 0.00 52.55 47.21 2f05 s ASP 3 Cb 0.07 -2.18 0.15 0.00 -1.09 0.00 0.00 42.92 39.87 2f05 s ASP 3 CO 0.57 -0.74 0.91 -0.44 0.70 0.00 0.00 175.17 176.16 2f05 s SER 4 N 3.05 6.56 0.08 2.11 0.01 -1.26 -4.86 113.70 119.40 2f05 s SER 4 Ca 0.04 -2.09 -0.16 0.00 1.31 0.00 0.00 55.95 55.04 2f05 s SER 4 Cb -0.27 -2.32 -0.11 0.00 0.21 0.00 0.00 66.02 63.54 2f05 s SER 4 CO 0.05 -0.92 1.39 0.58 0.41 0.00 0.00 173.24 174.74 2f05 h VAL 5 N 5.51 1.32 -0.58 3.43 2.07 -1.98 0.12 116.25 126.14 2f05 h VAL 5 Ca 0.03 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 2f05 h VAL 5 Cb 1.04 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2f05 h VAL 5 CO 0.99 0.46 0.09 -0.33 0.02 0.00 0.00 177.57 178.80 2f05 h GLU 6 N 0.33 0.93 -0.38 1.57 5.08 -2.00 -1.54 114.58 118.56 2f05 h GLU 6 Ca 0.03 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2f05 h GLU 6 Cb 0.85 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2f05 h GLU 6 CO 0.07 0.86 -0.19 0.35 -1.00 0.00 0.00 179.01 179.10 2f05 h PHE 7 N 0.88 0.80 -0.27 4.33 3.57 -1.92 -2.09 116.94 122.25 2f05 h PHE 7 Ca 0.18 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 7 Cb 0.39 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2f05 h PHE 7 CO 0.02 0.85 0.02 -0.91 -2.23 0.00 0.00 178.31 176.07 2f05 h ASN 8 N 0.64 0.36 -0.69 0.41 2.35 0.21 0.48 115.58 119.34 2f05 h ASN 8 Ca 0.10 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2f05 h ASN 8 Cb 0.67 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2f05 h ASN 8 CO 0.05 0.41 0.15 0.78 -1.65 0.00 0.00 177.43 177.17 2f05 h ASN 9 N 0.38 1.07 -0.53 5.81 2.35 -0.72 0.22 115.58 124.17 2f05 h ASN 9 Ca 0.09 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 2f05 h ASN 9 Cb 0.23 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2f05 h ASN 9 CO 0.00 1.03 -0.01 0.00 -1.65 0.00 0.00 177.43 176.80 2f05 h ALA 10 N 1.09 0.71 -0.43 -0.83 0.00 -0.72 -2.28 119.26 116.81 2f05 h ALA 10 Ca 0.22 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2f05 h ALA 10 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2f05 h ALA 10 CO 0.01 0.54 -0.20 0.82 0.00 0.00 0.00 179.25 180.42 2f05 h ILE 11 N 0.81 1.28 -0.83 0.00 1.08 0.38 0.09 117.51 120.32 2f05 h ILE 11 Ca 0.15 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2f05 h ILE 11 Cb 0.55 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 2f05 h ILE 11 CO 0.03 0.46 0.50 0.28 -0.69 0.00 0.00 178.15 178.72 2f05 h SER 12 N 0.72 1.01 0.22 1.72 0.02 -0.54 0.62 113.55 117.31 2f05 h SER 12 Ca 0.10 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2f05 h SER 12 Cb 0.76 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2f05 h SER 12 CO 0.06 0.78 -0.18 0.22 -1.14 0.00 0.00 176.83 176.58 2f05 h TYR 13 N 1.15 -0.46 -0.18 3.45 3.20 -1.07 -1.45 116.97 121.61 2f05 h TYR 13 Ca 0.30 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 2f05 h TYR 13 Cb -0.03 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2f05 h TYR 13 CO -0.00 -0.27 0.01 0.28 -1.64 0.00 0.00 178.16 176.54 2f05 h VAL 14 N -0.41 1.25 -0.57 1.81 2.07 -0.37 -1.68 116.25 118.35 2f05 h VAL 14 Ca -0.01 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2f05 h VAL 14 Cb 0.36 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2f05 h VAL 14 CO -0.01 0.25 0.38 -1.13 0.02 0.00 0.00 177.57 177.07 2f05 h ASN 15 N 0.08 0.62 -0.20 0.57 -0.73 0.23 0.14 115.58 116.28 2f05 h ASN 15 Ca 0.05 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 2f05 h ASN 15 Cb 0.37 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 2f05 h ASN 15 CO 0.01 0.44 -0.07 0.50 -0.37 0.00 0.00 177.43 177.93 2f05 h LYS 16 N 0.72 0.41 -0.38 6.67 3.64 -1.08 -2.29 116.57 124.26 2f05 h LYS 16 Ca 0.22 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2f05 h LYS 16 Cb -0.01 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 2f05 h LYS 16 CO -0.05 0.68 0.05 0.82 -2.27 0.00 0.00 179.45 178.68 2f05 h ILE 17 N 0.12 0.78 -0.61 2.00 2.04 -0.28 0.29 117.51 121.84 2f05 h ILE 17 Ca 0.05 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2f05 h ILE 17 Cb 0.54 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 2f05 h ILE 17 CO 0.03 0.03 -0.03 0.11 0.00 0.00 0.00 178.15 178.29 2f05 h LYS 18 N 0.17 0.09 -0.04 2.37 1.57 -0.58 -0.17 116.57 119.97 2f05 h LYS 18 Ca 0.18 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2f05 h LYS 18 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2f05 h LYS 18 CO -0.26 0.06 -0.29 1.15 -0.57 0.00 0.00 179.45 179.54 2f05 h THR 19 N 0.09 1.46 0.00 -0.16 2.02 -0.89 -1.80 112.91 113.62 2f05 h THR 19 Ca 0.31 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 2f05 h THR 19 Cb 0.50 2.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2f05 h THR 19 CO -0.54 0.50 -0.16 0.03 0.37 0.00 0.00 175.52 175.72 2f05 h ARG 20 N -0.27 0.00 -0.35 6.66 2.47 0.04 -1.86 114.38 121.07 2f05 h ARG 20 Ca -0.02 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.43 2f05 h ARG 20 Cb 0.96 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.01 2f05 h ARG 20 CO 0.06 0.16 -0.79 1.19 0.56 0.00 0.00 179.97 181.15 2f05 n PHE 21 N -3.50 1.22 0.02 3.04 3.72 -0.12 -4.79 117.46 117.06 2f05 n PHE 21 Ca -0.01 -1.73 -0.01 0.00 -0.05 0.00 0.00 57.45 55.65 2f05 n PHE 21 Cb 0.32 -0.27 0.26 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.69 0.45 -0.08 4.37 6.46 -0.44 -1.28 115.31 126.47 2f05 h LEU 22 Ca 0.09 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2f05 h LEU 22 Cb 1.37 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 2f05 h LEU 22 CO 0.33 0.61 -0.24 0.47 -0.62 0.00 0.00 178.44 178.99 2f05 n ASP 23 N -4.20 0.36 -3.62 1.25 9.92 -1.26 -4.43 116.55 114.56 2f05 n ASP 23 Ca 0.00 -0.12 -0.27 0.00 -0.53 0.00 0.00 54.79 53.87 2f05 n ASP 23 Cb 0.32 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.62 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2f05 n HIS 24 N -1.33 1.53 0.26 1.24 8.25 -0.48 -4.96 115.22 119.72 2f05 n HIS 24 Ca 0.08 -3.88 0.09 0.00 -0.26 0.00 0.00 57.72 53.76 2f05 n HIS 24 Cb 0.32 -0.28 0.68 0.00 1.12 0.00 0.00 29.99 31.84 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 5.26 0.00 -0.61 -0.41 0.11 -1.77 -2.67 132.00 131.90 2f05 h PRO 25 Ca 0.19 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 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 2f05 h PRO 25 CO 0.59 0.00 0.22 1.05 -0.21 0.00 0.00 178.00 179.64 2f05 h GLU 26 N 0.00 0.91 -0.55 1.05 4.11 -1.93 -2.62 114.58 115.55 2f05 h GLU 26 Ca 0.01 -0.16 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 2f05 h GLU 26 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2f05 h GLU 26 CO -0.00 0.76 -0.02 0.82 0.07 0.00 0.00 179.01 180.64 2f05 h ILE 27 N 0.89 1.26 -0.30 -1.06 2.04 -1.82 0.48 117.51 119.01 2f05 h ILE 27 Ca 0.21 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2f05 h ILE 27 Cb 0.22 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2f05 h ILE 27 CO -0.01 0.40 0.18 0.22 0.00 0.00 0.00 178.15 178.94 2f05 h TYR 28 N 0.88 0.34 -0.10 1.37 3.20 -1.60 -1.63 116.97 119.43 2f05 h TYR 28 Ca 0.16 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.88 2f05 h TYR 28 Cb 0.54 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2f05 h TYR 28 CO 0.03 0.20 -0.63 0.00 -1.64 0.00 0.00 178.16 176.12 2f05 h ARG 29 N 0.37 0.36 -0.33 1.82 3.08 -0.98 -1.85 114.38 116.85 2f05 h ARG 29 Ca 0.11 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2f05 h ARG 29 Cb -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2f05 h ARG 29 CO -0.05 0.87 0.04 0.77 -1.07 0.00 0.00 179.97 180.53 2f05 h SER 30 N 0.26 0.45 -0.08 7.04 0.02 0.30 -1.42 113.55 120.12 2f05 h SER 30 Ca -0.01 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 2f05 h SER 30 Cb 1.17 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.60 2f05 h SER 30 CO 0.11 0.49 -0.41 0.15 -1.14 0.00 0.00 176.83 176.03 2f05 h PHE 31 N 0.47 0.56 -0.66 3.45 3.57 -0.98 -3.16 116.94 120.18 2f05 h PHE 31 Ca 0.11 -0.25 0.10 0.00 3.53 0.00 0.00 57.97 61.46 2f05 h PHE 31 Cb 0.26 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2f05 h PHE 31 CO 0.01 1.01 0.44 -0.07 -2.23 0.00 0.00 178.31 177.47 2f05 h LEU 32 N -0.04 0.46 -0.90 0.59 3.38 -0.93 -0.32 115.31 117.54 2f05 h LEU 32 Ca -0.03 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2f05 h LEU 32 Cb 1.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2f05 h LEU 32 CO 0.08 0.27 -0.54 1.05 0.09 0.00 0.00 178.44 179.39 2f05 h GLU 33 N 0.51 0.02 -0.06 1.13 4.11 -1.27 0.12 114.58 119.14 2f05 h GLU 33 Ca 0.31 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.70 2f05 h GLU 33 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2f05 h GLU 33 CO -0.10 0.56 -0.06 0.82 0.07 0.00 0.00 179.01 180.31 2f05 h ILE 34 N 0.02 1.37 -0.12 -1.06 2.04 -1.06 0.31 117.51 119.01 2f05 h ILE 34 Ca -0.00 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 2f05 h ILE 34 Cb 0.97 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2f05 h ILE 34 CO 0.07 0.33 -0.37 0.25 0.00 0.00 0.00 178.15 178.43 2f05 h LEU 35 N -0.30 0.26 -0.21 1.44 7.12 -1.09 0.39 115.31 122.93 2f05 h LEU 35 Ca 0.01 -0.10 -0.06 0.00 0.13 0.00 0.00 57.88 57.86 2f05 h LEU 35 Cb 0.56 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2f05 h LEU 35 CO 0.01 0.62 -0.10 -0.74 -0.13 0.00 0.00 178.44 178.10 2f05 h HIS 36 N 0.22 0.51 -0.61 1.25 2.76 -0.71 -2.16 115.15 116.41 2f05 h HIS 36 Ca 0.02 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 2f05 h HIS 36 Cb 0.77 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 2f05 h HIS 36 CO 0.01 0.73 0.21 1.15 -1.30 0.00 0.00 177.93 178.73 2f05 h THR 37 N 0.14 1.22 -0.71 6.26 2.02 -0.53 -2.32 112.91 118.99 2f05 h THR 37 Ca 0.05 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2f05 h THR 37 Cb 0.59 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2f05 h THR 37 CO 0.03 0.29 0.37 0.22 0.37 0.00 0.00 175.52 176.80 2f05 h TYR 38 N 0.88 0.98 -0.30 3.16 3.20 -0.08 -2.02 116.97 122.79 2f05 h TYR 38 Ca 0.20 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 2f05 h TYR 38 Cb 0.22 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2f05 h TYR 38 CO 0.01 0.69 -0.32 1.96 -1.64 0.00 0.00 178.16 178.87 2f05 h GLN 39 N 1.00 0.64 0.00 1.82 4.20 -0.84 -1.80 115.11 120.12 2f05 h GLN 39 Ca 0.25 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2f05 h GLN 39 Cb 0.05 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2f05 h GLN 39 CO -0.04 0.88 0.00 0.87 -0.67 0.00 0.00 178.83 179.87 2f05 h LYS 40 N 0.55 0.00 0.13 1.46 6.56 -1.09 -1.61 116.57 122.57 2f05 h LYS 40 Ca 0.06 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.36 2f05 h LYS 40 Cb 0.81 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.47 2f05 h LYS 40 CO 0.07 0.00 -1.47 1.49 -2.06 0.00 0.00 179.45 177.48 2f05 h GLU 41 N 0.00 0.27 -0.22 3.15 4.22 -0.95 -3.37 114.58 117.69 2f05 h GLU 41 Ca 0.00 -0.47 -0.09 0.00 0.08 0.00 0.00 59.36 58.88 2f05 h GLU 41 Cb 0.31 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2f05 h GLU 41 CO 0.00 1.22 -0.27 1.96 -2.18 0.00 0.00 179.01 179.75 2f05 h GLN 42 N -0.22 0.42 -7.19 1.92 1.08 -0.75 -3.43 115.11 106.93 2f05 h GLN 42 Ca -0.31 -0.16 -0.47 0.00 -1.45 0.00 0.00 58.65 56.26 2f05 h GLN 42 Cb 1.83 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 29.25 2f05 h GLN 42 CO 0.08 0.65 0.37 -0.51 -0.95 0.00 0.00 178.83 178.48 2f05 s LEU 43 N -8.60 3.63 0.30 1.46 2.01 -0.66 -4.96 118.68 111.86 2f05 s LEU 43 Ca -0.06 1.58 0.22 0.00 0.01 0.00 0.00 54.13 55.88 2f05 s LEU 43 Cb 0.14 -4.51 0.14 0.00 0.01 0.00 0.00 46.19 41.96 2f05 s LEU 43 CO 0.78 -0.59 1.28 0.45 1.01 0.00 0.00 176.35 179.28 2f05 h HIS 44 N 0.93 0.00 -3.35 0.29 3.86 -1.88 -3.42 115.15 111.59 2f05 h HIS 44 Ca -0.47 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.12 2f05 h HIS 44 Cb 1.19 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 2f05 h HIS 44 CO 0.64 0.03 0.48 0.99 0.86 0.00 0.00 177.93 180.92 2f05 s THR 45 N -3.28 4.49 0.04 2.45 2.01 -1.26 -4.89 115.64 115.19 2f05 s THR 45 Ca 0.03 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 2f05 s THR 45 Cb 0.08 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 68.13 2f05 s THR 45 CO 0.74 -0.97 0.06 2.29 -0.69 0.00 0.00 174.62 176.05 2f05 n LYS 46 N 7.16 0.09 0.03 4.92 2.85 -1.26 -4.94 118.16 127.00 2f05 n LYS 46 Ca 0.02 -0.25 -0.13 0.00 -1.05 0.00 0.00 58.31 56.90 2f05 n LYS 46 Cb 0.48 0.27 -0.09 0.00 -0.65 0.00 0.00 35.03 35.04 2f05 n LYS 46 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2f05 h GLY 47 N 0.19 -0.06 -5.62 2.58 0.00 -1.92 -3.45 103.07 94.80 2f05 h GLY 47 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 2f05 h GLY 47 CO 0.04 -0.02 -0.52 -1.60 0.00 0.00 0.00 176.54 174.44 2f05 s ARG 48 N -4.93 0.19 -0.55 4.80 3.00 -1.26 -5.08 118.95 115.12 2f05 s ARG 48 Ca -0.15 0.30 -0.26 0.00 -1.00 0.00 0.00 55.73 54.62 2f05 s ARG 48 Cb 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 34.95 34.96 2f05 s ARG 48 CO 0.65 -0.06 2.14 -1.25 0.00 0.00 0.00 175.30 176.78 2f05 s PRO 49 N 0.41 2.35 -0.05 5.12 0.04 -1.26 -4.82 135.00 136.80 2f05 s PRO 49 Ca -0.03 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 2f05 s PRO 49 Cb -0.04 -4.49 0.11 0.00 0.04 0.00 0.00 34.50 30.11 2f05 s PRO 49 CO -0.02 -3.02 0.90 0.12 0.04 0.00 0.00 177.00 175.02 2f05 s PHE 50 N 10.69 -0.38 -0.55 0.56 5.36 -1.26 -5.10 117.98 127.30 2f05 s PHE 50 Ca 0.82 0.40 -0.17 0.00 -0.96 0.00 0.00 56.93 57.02 2f05 s PHE 50 Cb -0.15 0.50 0.12 0.00 -0.34 0.00 0.00 43.02 43.15 2f05 s PHE 50 CO 0.23 -0.50 0.57 0.50 -1.46 0.00 0.00 175.22 174.56 2f05 s ARG 51 N -2.42 3.01 0.00 10.12 3.00 -1.26 -4.94 118.95 126.46 2f05 s ARG 51 Ca 0.02 -1.53 0.00 0.00 -1.00 0.00 0.00 55.73 53.21 2f05 s ARG 51 Cb -0.01 -4.28 0.00 0.00 0.00 0.00 0.00 34.95 30.67 2f05 s ARG 51 CO -0.05 -1.39 0.09 0.41 0.00 0.00 0.00 175.30 174.36 2f05 n GLY 52 N 5.26 -0.02 3.32 8.12 0.00 -1.26 -4.82 105.19 115.80 2f05 n GLY 52 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.80 2.71 0.38 1.61 -2.45 -1.26 -5.07 119.30 114.42 2f05 s MET 53 Ca 0.00 -1.21 -0.17 0.00 -1.25 0.00 0.00 55.69 53.06 2f05 s MET 53 Cb 0.00 -3.69 -0.09 0.00 1.25 0.00 0.00 34.83 32.30 2f05 s MET 53 CO 0.00 -0.77 0.82 -1.12 1.05 0.00 0.00 175.02 175.01 2f05 s SER 54 N 1.68 6.80 0.30 1.11 0.01 -1.26 -4.87 113.70 117.46 2f05 s SER 54 Ca 0.01 1.42 0.06 0.00 1.31 0.00 0.00 55.95 58.75 2f05 s SER 54 Cb -0.20 -2.43 0.77 0.00 0.21 0.00 0.00 66.02 64.36 2f05 s SER 54 CO 0.05 -0.30 1.75 -0.08 0.41 0.00 0.00 173.24 175.07 2f05 h GLU 55 N 1.97 0.62 -0.14 12.44 4.81 -1.98 0.96 114.58 133.27 2f05 h GLU 55 Ca -0.48 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 2f05 h GLU 55 Cb 1.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2f05 h GLU 55 CO 0.64 0.41 -0.34 1.49 -0.73 0.00 0.00 179.01 180.48 2f05 h GLU 56 N 0.64 0.27 0.00 1.92 4.81 -1.98 0.35 114.58 120.59 2f05 h GLU 56 Ca 0.59 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2f05 h GLU 56 Cb 1.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2f05 h GLU 56 CO -0.43 0.58 -0.79 1.05 -0.73 0.00 0.00 179.01 178.69 2f05 h GLU 57 N 0.24 0.00 0.24 1.92 4.11 -1.40 -1.42 114.58 118.26 2f05 h GLU 57 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2f05 h GLU 57 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2f05 h GLU 57 CO 0.05 0.20 -0.11 0.28 0.07 0.00 0.00 179.01 179.50 2f05 h VAL 58 N 0.00 0.83 -0.05 -1.06 2.07 -0.32 -2.93 116.25 114.79 2f05 h VAL 58 Ca -0.05 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2f05 h VAL 58 Cb 1.25 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2f05 h VAL 58 CO 0.03 0.10 0.04 0.15 0.02 0.00 0.00 177.57 177.91 2f05 h PHE 59 N -0.56 0.00 -0.25 1.57 3.57 -0.26 -1.82 116.94 119.19 2f05 h PHE 59 Ca -0.03 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2f05 h PHE 59 Cb 0.41 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2f05 h PHE 59 CO 0.01 0.00 0.01 1.15 -2.23 0.00 0.00 178.31 177.25 2f05 h THR 60 N 0.00 0.84 -0.02 4.41 2.02 -1.07 0.47 112.91 119.56 2f05 h THR 60 Ca 0.02 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.99 2f05 h THR 60 Cb 0.09 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2f05 h THR 60 CO -0.00 0.02 -0.79 -0.33 0.37 0.00 0.00 175.52 174.78 2f05 h GLU 61 N 0.09 0.24 -0.33 6.66 5.08 -1.31 -1.52 114.58 123.49 2f05 h GLU 61 Ca 0.12 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2f05 h GLU 61 Cb 0.14 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2f05 h GLU 61 CO -0.19 0.91 -0.20 0.28 -1.00 0.00 0.00 179.01 178.82 2f05 h VAL 62 N 0.15 1.29 -0.43 3.13 2.07 -1.03 0.27 116.25 121.70 2f05 h VAL 62 Ca -0.03 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2f05 h VAL 62 Cb 1.39 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2f05 h VAL 62 CO 0.12 0.43 -0.07 0.00 0.02 0.00 0.00 177.57 178.08 2f05 h ALA 63 N 0.76 1.07 0.00 1.67 0.00 -0.01 -1.96 119.26 120.78 2f05 h ALA 63 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2f05 h ALA 63 Cb 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2f05 h ALA 63 CO 0.06 0.58 -0.49 -0.97 0.00 0.00 0.00 179.25 178.42 2f05 h ASN 64 N 0.69 0.00 0.02 0.00 -1.24 -1.05 -1.96 115.58 112.04 2f05 h ASN 64 Ca 0.12 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2f05 h ASN 64 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 2f05 h ASN 64 CO 0.03 0.49 -0.01 0.25 -1.29 0.00 0.00 177.43 176.90 2f05 h LEU 65 N 0.00 -0.03 -3.92 0.34 7.12 0.11 -3.26 115.31 115.67 2f05 h LEU 65 Ca -0.00 -0.39 -0.64 0.00 0.13 0.00 0.00 57.88 56.97 2f05 h LEU 65 Cb 0.90 0.01 -0.33 0.00 -0.53 0.00 0.00 40.66 40.71 2f05 h LEU 65 CO 0.06 0.38 0.33 0.49 -0.13 0.00 0.00 178.44 179.57 2f05 n PHE 66 N -4.91 3.08 -1.70 1.25 3.72 -0.79 -4.98 117.46 113.12 2f05 n PHE 66 Ca -0.08 -2.77 -0.39 0.00 -0.05 0.00 0.00 57.45 54.16 2f05 n PHE 66 Cb 0.22 -1.09 -0.03 0.00 -0.94 0.00 0.00 39.48 37.64 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 -3.75 2.55 0.00 -1.08 1.81 -0.74 -0.53 118.95 117.21 2f05 s ARG 67 Ca 0.60 1.41 0.00 0.00 -1.72 0.00 0.00 55.73 56.03 2f05 s ARG 67 Cb 0.48 -4.46 0.00 0.00 -0.45 0.00 0.00 34.95 30.52 2f05 s ARG 67 CO 0.01 -2.77 0.00 0.41 -0.68 0.00 0.00 175.30 172.27 2f05 n GLY 68 N 5.83 1.39 3.30 -3.53 0.00 -1.26 -5.03 105.19 105.89 2f05 n GLY 68 Ca 0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 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 3.99 0.33 1.61 -1.52 0.31 -4.85 119.66 119.52 2f05 s GLN 69 Ca 0.00 -3.16 0.05 0.00 -1.95 0.00 0.00 55.36 50.30 2f05 s GLN 69 Cb 0.00 -4.44 0.58 0.00 -0.22 0.00 0.00 33.01 28.93 2f05 s GLN 69 CO 0.00 -1.25 1.84 1.49 -0.25 0.00 0.00 175.29 177.12 2f05 h GLU 70 N 6.66 0.48 -0.01 2.91 4.81 -1.96 -2.66 114.58 124.81 2f05 h GLU 70 Ca 0.17 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2f05 h GLU 70 Cb 0.88 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 2f05 h GLU 70 CO 0.96 0.57 -0.25 0.22 -0.73 0.00 0.00 179.01 179.78 2f05 h ASP 71 N 0.45 -0.73 -0.66 1.04 3.58 -1.95 -0.25 116.42 117.90 2f05 h ASP 71 Ca 0.09 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2f05 h ASP 71 Cb 0.42 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 2f05 h ASP 71 CO 0.02 -0.31 0.41 -0.07 -2.88 0.00 0.00 179.24 176.41 2f05 h LEU 72 N -0.38 0.78 -0.43 2.28 3.38 -1.90 0.10 115.31 119.14 2f05 h LEU 72 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2f05 h LEU 72 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2f05 h LEU 72 CO -0.23 0.59 0.00 -0.07 0.09 0.00 0.00 178.44 178.83 2f05 h LEU 73 N 0.91 0.00 0.01 1.67 3.38 -0.98 -1.52 115.31 118.78 2f05 h LEU 73 Ca 0.24 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.84 2f05 h LEU 73 Cb -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2f05 h LEU 73 CO -0.05 0.00 -2.34 -1.20 0.09 0.00 0.00 178.44 174.94 2f05 n SER 74 N -2.33 0.79 0.23 -0.43 7.64 -0.19 -4.20 113.62 115.14 2f05 n SER 74 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.04 2f05 n SER 74 Cb 0.33 0.38 0.36 0.00 -1.01 0.00 0.00 64.21 64.26 2f05 n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2f05 h GLU 75 N 0.00 0.00 0.00 1.43 4.39 -0.67 -2.68 114.58 117.06 2f05 h GLU 75 Ca -0.53 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 2f05 h GLU 75 Cb 2.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2f05 h GLU 75 CO 0.00 0.07 -0.03 0.35 -1.16 0.00 0.00 179.01 178.24 2f05 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.45 -0.62 116.94 122.77 2f05 h PHE 76 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2f05 h PHE 76 Cb 0.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2f05 h PHE 76 CO 0.00 0.03 0.00 0.78 -2.23 0.00 0.00 178.31 176.89 2f05 h GLY 77 N 0.09 0.00 0.80 2.40 0.00 -1.67 0.38 103.07 105.08 2f05 h GLY 77 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2f05 h GLY 77 CO 0.00 0.00 -1.82 -1.06 0.00 0.00 0.00 176.54 173.67 2f05 n GLN 78 N -2.84 0.64 0.09 4.80 6.02 -0.29 -4.03 117.38 121.77 2f05 n GLN 78 Ca 0.00 0.24 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 2f05 n GLN 78 Cb 0.25 -1.75 0.08 0.00 1.02 0.00 0.00 30.24 29.84 2f05 n GLN 78 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2f05 h PHE 79 N 0.00 0.28 -4.30 1.08 3.57 -0.79 -3.43 116.94 113.35 2f05 h PHE 79 Ca -0.32 -0.12 -0.47 0.00 3.53 0.00 0.00 57.97 60.58 2f05 h PHE 79 Cb 2.03 -0.04 0.12 0.00 2.79 0.00 0.00 35.95 40.84 2f05 h PHE 79 CO 0.00 0.84 0.33 -0.51 -2.23 0.00 0.00 178.31 176.74 2f05 s LEU 80 N -7.71 2.34 -0.77 0.59 1.43 0.05 -4.89 118.68 109.72 2f05 s LEU 80 Ca -0.03 1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.94 2f05 s LEU 80 Cb 0.11 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.58 2f05 s LEU 80 CO 0.81 -2.20 2.42 -0.81 0.23 0.00 0.00 176.35 176.79 2f05 n PRO 81 N -3.55 0.52 0.25 1.29 -0.04 -1.26 -4.78 135.00 127.42 2f05 n PRO 81 Ca 0.07 -0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.32 2f05 n PRO 81 Cb 0.58 -2.79 0.66 0.00 -0.04 0.00 0.00 33.50 31.91 2f05 n PRO 81 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2f05 h GLU 82 N 14.43 0.00 -0.48 0.54 4.22 -1.82 -2.36 114.58 129.11 2f05 h GLU 82 Ca -0.07 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.50 2f05 h GLU 82 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2f05 h GLU 82 CO 1.23 0.11 0.38 0.00 -2.18 0.00 0.00 179.01 178.55 2f05 h ALA 83 N 1.89 2.37 0.00 2.92 0.00 -1.94 0.31 119.26 124.80 2f05 h ALA 83 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2f05 h ALA 83 Cb 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2f05 h ALA 83 CO 0.01 -0.63 -0.14 0.87 0.00 0.00 0.00 179.25 179.37 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 1.57 -1.82 -3.57 116.57 112.73 2f05 h LYS 84 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2f05 h LYS 84 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2f05 h LYS 84 CO -0.00 0.14 0.00 0.54 -0.57 0.00 0.00 179.45 179.56