#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 h SER 2 N 0.00 0.32 -3.28 -1.84 0.02 -2.12 -3.42 113.55 103.24 2f05 h SER 2 Ca 0.00 -0.37 -0.61 0.00 -0.84 0.00 0.00 61.79 59.97 2f05 h SER 2 Cb 0.00 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.31 2f05 h SER 2 CO 0.00 1.29 0.54 -1.81 -1.14 0.00 0.00 176.83 175.71 2f05 s ASP 3 N -7.00 6.36 -1.01 3.07 1.01 -1.26 -4.96 116.67 112.87 2f05 s ASP 3 Ca -0.04 -0.31 -0.21 0.00 0.71 0.00 0.00 52.55 52.70 2f05 s ASP 3 Cb 0.08 -2.43 0.09 0.00 1.01 0.00 0.00 42.92 41.66 2f05 s ASP 3 CO 0.86 -1.18 1.35 -0.44 0.21 0.00 0.00 175.17 175.97 2f05 s SER 4 N 2.74 6.59 -0.14 0.27 0.01 -1.26 -4.77 113.70 117.13 2f05 s SER 4 Ca 0.30 -1.79 -0.20 0.00 1.31 0.00 0.00 55.95 55.58 2f05 s SER 4 Cb -0.13 -2.50 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 2f05 s SER 4 CO 0.20 -1.30 0.44 0.58 0.41 0.00 0.00 173.24 173.57 2f05 h VAL 5 N 6.29 1.12 -0.91 3.43 2.07 -1.97 -2.90 116.25 123.39 2f05 h VAL 5 Ca 0.20 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2f05 h VAL 5 Cb 1.00 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2f05 h VAL 5 CO 1.30 0.38 0.51 -0.33 0.02 0.00 0.00 177.57 179.46 2f05 h GLU 6 N -1.00 1.26 -0.33 1.57 4.39 -2.00 -0.50 114.58 117.97 2f05 h GLU 6 Ca -0.06 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 2f05 h GLU 6 Cb 0.78 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2f05 h GLU 6 CO -0.03 0.91 -0.20 0.35 -1.16 0.00 0.00 179.01 178.87 2f05 h PHE 7 N 1.26 0.70 -0.06 4.33 3.57 -1.95 -1.47 116.94 123.32 2f05 h PHE 7 Ca 0.32 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 2f05 h PHE 7 Cb 0.01 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2f05 h PHE 7 CO 0.01 0.79 -0.58 -0.97 -2.23 0.00 0.00 178.31 175.32 2f05 h ASN 8 N 0.56 0.23 -0.55 0.41 -1.24 -1.01 0.38 115.58 114.36 2f05 h ASN 8 Ca 0.09 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 2f05 h ASN 8 Cb 0.66 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 2f05 h ASN 8 CO 0.05 0.76 0.31 0.78 -1.29 0.00 0.00 177.43 178.05 2f05 h ASN 9 N 0.15 0.67 -0.13 1.15 2.35 -0.65 0.30 115.58 119.43 2f05 h ASN 9 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2f05 h ASN 9 Cb 1.07 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 2f05 h ASN 9 CO 0.09 0.55 0.08 0.00 -1.65 0.00 0.00 177.43 176.50 2f05 h ALA 10 N 1.15 0.16 -0.79 -0.83 0.00 -0.58 -1.80 119.26 116.57 2f05 h ALA 10 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f05 h ALA 10 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2f05 h ALA 10 CO -0.03 -0.36 0.44 0.82 0.00 0.00 0.00 179.25 180.12 2f05 h ILE 11 N 0.16 1.23 -0.72 0.00 1.08 0.24 0.16 117.51 119.67 2f05 h ILE 11 Ca 0.05 -0.57 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 2f05 h ILE 11 Cb -0.01 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 33.87 2f05 h ILE 11 CO -0.02 0.26 0.47 0.28 -0.69 0.00 0.00 178.15 178.44 2f05 h SER 12 N 1.09 0.79 -0.49 1.72 0.02 -0.18 0.61 113.55 117.12 2f05 h SER 12 Ca 0.28 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2f05 h SER 12 Cb 0.02 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2f05 h SER 12 CO -0.05 0.56 -0.14 1.88 -1.14 0.00 0.00 176.83 177.94 2f05 h TYR 13 N 0.93 1.08 -0.24 3.45 -1.99 -0.64 -0.79 116.97 118.76 2f05 h TYR 13 Ca 0.28 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2f05 h TYR 13 Cb -0.05 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 2f05 h TYR 13 CO -0.03 1.04 0.07 0.28 -0.00 0.00 0.00 178.16 179.52 2f05 h VAL 14 N 0.81 1.20 -0.79 -2.88 2.07 0.03 0.42 116.25 117.12 2f05 h VAL 14 Ca 0.12 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2f05 h VAL 14 Cb 0.71 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2f05 h VAL 14 CO 0.05 0.21 0.52 -1.13 0.02 0.00 0.00 177.57 177.24 2f05 h ASN 15 N 0.22 0.88 -0.64 0.57 -0.73 0.22 0.14 115.58 116.25 2f05 h ASN 15 Ca 0.08 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 2f05 h ASN 15 Cb 0.25 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2f05 h ASN 15 CO -0.00 0.63 0.25 0.50 -0.37 0.00 0.00 177.43 178.43 2f05 h LYS 16 N 1.04 0.96 -0.20 6.67 3.64 -0.66 0.07 116.57 128.08 2f05 h LYS 16 Ca 0.29 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2f05 h LYS 16 Cb -0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2f05 h LYS 16 CO -0.07 0.81 0.11 0.82 -2.27 0.00 0.00 179.45 178.85 2f05 h ILE 17 N 0.90 1.01 -0.39 2.00 2.04 0.27 0.30 117.51 123.65 2f05 h ILE 17 Ca 0.21 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 66.07 2f05 h ILE 17 Cb 0.22 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2f05 h ILE 17 CO -0.02 0.04 -0.06 0.11 0.00 0.00 0.00 178.15 178.23 2f05 h LYS 18 N 0.24 0.04 -0.47 2.37 1.57 -0.25 -0.82 116.57 119.25 2f05 h LYS 18 Ca 0.08 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2f05 h LYS 18 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2f05 h LYS 18 CO -0.04 0.02 -0.24 1.15 -0.57 0.00 0.00 179.45 179.77 2f05 h THR 19 N 0.04 1.27 0.00 -0.16 2.02 -0.70 -0.68 112.91 114.70 2f05 h THR 19 Ca 0.19 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2f05 h THR 19 Cb 0.28 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2f05 h THR 19 CO -0.37 0.48 -0.05 0.03 0.37 0.00 0.00 175.52 175.98 2f05 h ARG 20 N 0.84 0.00 -0.32 6.66 2.47 0.14 -2.92 114.38 121.25 2f05 h ARG 20 Ca 0.10 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.57 2f05 h ARG 20 Cb 0.82 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 28.87 2f05 h ARG 20 CO 0.07 0.05 -0.80 1.19 0.56 0.00 0.00 179.97 181.04 2f05 n PHE 21 N -3.13 1.12 0.30 3.04 3.01 -0.36 -4.82 117.46 116.62 2f05 n PHE 21 Ca 0.02 -1.68 0.19 0.00 1.01 0.00 0.00 57.45 56.99 2f05 n PHE 21 Cb 0.42 -0.26 0.86 0.00 -0.01 0.00 0.00 39.48 40.50 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 1.66 0.00 0.00 4.37 6.46 -0.91 0.47 115.31 127.36 2f05 h LEU 22 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2f05 h LEU 22 Cb 1.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 2f05 h LEU 22 CO 0.30 0.01 -0.85 -0.67 -0.62 0.00 0.00 178.44 176.61 2f05 n ASP 23 N -3.12 0.68 -3.64 1.25 2.03 -1.26 -4.59 116.55 107.90 2f05 n ASP 23 Ca -0.01 0.03 -0.27 0.00 0.52 0.00 0.00 54.79 55.06 2f05 n ASP 23 Cb 0.23 0.46 -0.11 0.00 -0.72 0.00 0.00 41.12 40.98 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f05 n HIS 24 N -2.15 1.28 0.32 -0.67 8.25 0.16 -4.93 115.22 117.48 2f05 n HIS 24 Ca 0.02 -3.84 0.11 0.00 -0.26 0.00 0.00 57.72 53.75 2f05 n HIS 24 Cb 0.46 -0.21 0.48 0.00 1.12 0.00 0.00 29.99 31.83 2f05 n HIS 24 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2f05 n PRO 25 N 2.32 0.15 -0.22 -0.41 -0.04 -1.22 -1.82 135.00 133.76 2f05 n PRO 25 Ca 0.25 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 64.12 2f05 n PRO 25 Cb 0.41 -1.84 0.09 0.00 -0.04 0.00 0.00 33.50 32.13 2f05 n PRO 25 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2f05 h GLU 26 N 0.00 1.05 -0.25 0.54 4.11 -1.91 -2.10 114.58 116.02 2f05 h GLU 26 Ca 0.00 -0.24 -0.13 0.00 0.07 0.00 0.00 59.36 59.06 2f05 h GLU 26 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2f05 h GLU 26 CO 0.00 0.93 -0.38 0.82 0.07 0.00 0.00 179.01 180.44 2f05 h ILE 27 N 1.01 1.30 0.17 -1.06 2.04 -1.70 0.34 117.51 119.61 2f05 h ILE 27 Ca 0.21 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2f05 h ILE 27 Cb 0.34 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2f05 h ILE 27 CO -0.00 0.49 -0.13 0.22 0.00 0.00 0.00 178.15 178.72 2f05 h TYR 28 N 0.48 -0.34 -0.60 1.37 3.20 -1.59 -1.41 116.97 118.08 2f05 h TYR 28 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2f05 h TYR 28 Cb 0.88 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2f05 h TYR 28 CO 0.04 -0.21 0.25 -0.09 -1.64 0.00 0.00 178.16 176.51 2f05 h ARG 29 N -0.32 0.89 0.00 1.82 2.43 -0.93 -1.62 114.38 116.66 2f05 h ARG 29 Ca -0.01 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 2f05 h ARG 29 Cb 0.28 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2f05 h ARG 29 CO -0.01 0.75 -0.09 0.77 -1.51 0.00 0.00 179.97 179.88 2f05 h SER 30 N 0.83 0.00 -0.04 -3.80 0.02 -0.05 -1.14 113.55 109.36 2f05 h SER 30 Ca 0.20 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2f05 h SER 30 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2f05 h SER 30 CO -0.02 0.09 -0.31 0.15 -1.14 0.00 0.00 176.83 175.60 2f05 h PHE 31 N 0.00 0.39 -0.83 3.45 3.57 -0.74 -3.19 116.94 119.59 2f05 h PHE 31 Ca -0.00 -0.18 0.14 0.00 3.53 0.00 0.00 57.97 61.45 2f05 h PHE 31 Cb 0.16 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2f05 h PHE 31 CO 0.00 0.94 0.54 -0.07 -2.23 0.00 0.00 178.31 177.49 2f05 h LEU 32 N -0.27 0.56 -0.80 0.59 3.38 -0.33 0.85 115.31 119.29 2f05 h LEU 32 Ca -0.03 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 32 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2f05 h LEU 32 CO 0.06 0.29 -0.50 1.05 0.09 0.00 0.00 178.44 179.44 2f05 h GLU 33 N 0.60 0.24 -0.14 1.13 4.11 -1.31 -1.41 114.58 117.80 2f05 h GLU 33 Ca 0.41 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.66 2f05 h GLU 33 Cb 0.73 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2f05 h GLU 33 CO -0.17 0.69 -0.08 0.82 0.07 0.00 0.00 179.01 180.34 2f05 h ILE 34 N 0.19 1.32 -0.37 -1.06 2.04 -0.86 0.10 117.51 118.87 2f05 h ILE 34 Ca 0.01 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 2f05 h ILE 34 Cb 0.95 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2f05 h ILE 34 CO 0.08 0.34 -0.03 0.25 0.00 0.00 0.00 178.15 178.79 2f05 h LEU 35 N -0.04 0.57 0.01 1.44 7.12 -1.17 0.42 115.31 123.66 2f05 h LEU 35 Ca 0.03 -0.13 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 2f05 h LEU 35 Cb 0.57 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2f05 h LEU 35 CO 0.02 0.66 -0.01 -0.74 -0.13 0.00 0.00 178.44 178.25 2f05 h HIS 36 N 0.57 -0.01 -0.85 1.25 2.76 -1.08 -2.05 115.15 115.73 2f05 h HIS 36 Ca 0.12 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 2f05 h HIS 36 Cb 0.41 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.31 2f05 h HIS 36 CO 0.02 0.28 0.55 1.15 -1.30 0.00 0.00 177.93 178.63 2f05 h THR 37 N -0.31 0.95 -0.10 6.26 2.02 -0.29 -1.78 112.91 119.66 2f05 h THR 37 Ca -0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2f05 h THR 37 Cb 0.30 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2f05 h THR 37 CO 0.00 0.15 0.04 0.22 0.37 0.00 0.00 175.52 176.30 2f05 h TYR 38 N 0.80 0.15 0.00 3.16 3.20 0.13 -1.52 116.97 122.89 2f05 h TYR 38 Ca 0.40 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2f05 h TYR 38 Cb 0.45 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 2f05 h TYR 38 CO -0.00 0.23 -0.09 1.96 -1.64 0.00 0.00 178.16 178.62 2f05 h GLN 39 N 0.02 0.00 0.00 1.82 1.08 -0.93 -0.86 115.11 116.25 2f05 h GLN 39 Ca 0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2f05 h GLN 39 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2f05 h GLN 39 CO -0.00 0.09 -0.17 0.87 -0.95 0.00 0.00 178.83 178.66 2f05 h LYS 40 N 0.00 0.00 0.00 1.46 6.56 -0.45 -1.60 116.57 122.55 2f05 h LYS 40 Ca -0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 2f05 h LYS 40 Cb 0.35 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.99 2f05 h LYS 40 CO 0.01 0.17 -0.98 1.49 -2.06 0.00 0.00 179.45 178.08 2f05 h GLU 41 N 0.00 0.00 -0.38 3.15 4.81 -0.29 -3.21 114.58 118.67 2f05 h GLU 41 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2f05 h GLU 41 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2f05 h GLU 41 CO 0.02 0.66 0.00 1.04 -0.73 0.00 0.00 179.01 180.00 2f05 n GLN 42 N -3.20 1.85 -2.56 1.92 1.13 -0.82 -3.73 117.38 111.97 2f05 n GLN 42 Ca -0.03 -1.16 -0.43 0.00 -1.94 0.00 0.00 57.00 53.45 2f05 n GLN 42 Cb 0.87 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 29.88 2f05 n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2f05 s LEU 43 N -1.02 4.22 0.21 1.08 1.98 -0.62 -5.00 118.68 119.52 2f05 s LEU 43 Ca 0.21 1.63 0.05 0.00 -2.89 0.00 0.00 54.13 53.13 2f05 s LEU 43 Cb 0.12 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.38 2f05 s LEU 43 CO 0.13 -0.59 0.26 -1.00 -1.89 0.00 0.00 176.35 173.26 2f05 s HIS 44 N 2.58 3.31 -0.07 5.38 3.76 -1.26 -4.13 115.29 124.86 2f05 s HIS 44 Ca 0.51 -0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 55.36 2f05 s HIS 44 Cb -0.20 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2f05 s HIS 44 CO 0.16 0.49 0.09 2.41 -0.85 0.00 0.00 174.74 177.05 2f05 n THR 45 N -0.96 -6.73 -0.48 1.30 -1.04 -1.26 -5.01 114.28 100.09 2f05 n THR 45 Ca -0.08 1.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.98 2f05 n THR 45 Cb 0.56 -4.68 0.00 0.00 -1.82 0.00 0.00 70.33 64.39 2f05 n THR 45 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2f05 n LYS 46 N 0.63 -1.37 0.00 -2.82 5.02 -1.26 -5.03 118.16 113.33 2f05 n LYS 46 Ca -0.16 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2f05 n LYS 46 Cb 0.24 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.64 -1.63 2.73 0.72 0.00 -1.26 -4.89 105.19 100.22 2f05 n GLY 47 Ca 0.00 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 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 0.17 0.00 1.61 6.06 -1.26 -5.02 118.95 120.50 2f05 s ARG 48 Ca 0.00 0.24 -0.02 0.00 -2.50 0.00 0.00 55.73 53.45 2f05 s ARG 48 Cb 0.00 -0.60 -0.11 0.00 0.06 0.00 0.00 34.95 34.31 2f05 s ARG 48 CO 0.00 -0.27 2.63 -0.35 -2.50 0.00 0.00 175.30 174.80 2f05 n PRO 49 N 4.95 1.39 0.00 5.12 -0.04 -1.25 -2.59 135.00 142.58 2f05 n PRO 49 Ca -0.11 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 2f05 n PRO 49 Cb 0.50 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2f05 n PRO 49 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2f05 n PHE 50 N 1.91 0.00 -3.66 0.54 7.35 -1.24 -4.77 117.46 117.59 2f05 n PHE 50 Ca 0.17 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.79 2f05 n PHE 50 Cb 0.66 0.12 -0.08 0.00 0.35 0.00 0.00 39.48 40.52 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 0.38 0.00 -4.13 6.06 -1.07 -4.91 118.95 115.28 2f05 s ARG 51 Ca 0.00 1.12 0.00 0.00 -2.50 0.00 0.00 55.73 54.35 2f05 s ARG 51 Cb 0.00 0.43 0.00 0.00 0.06 0.00 0.00 34.95 35.44 2f05 s ARG 51 CO 0.00 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 172.98 2f05 n GLY 52 N 5.34 0.15 3.06 8.12 0.00 -1.26 -4.71 105.19 115.88 2f05 n GLY 52 Ca -0.10 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.26 0.40 1.61 1.75 -1.26 -5.02 119.30 117.04 2f05 s MET 53 Ca 0.00 0.11 -0.20 0.00 -1.25 0.00 0.00 55.69 54.35 2f05 s MET 53 Cb 0.00 0.08 -0.11 0.00 2.84 0.00 0.00 34.83 37.64 2f05 s MET 53 CO 0.00 -0.44 0.90 -1.12 -0.65 0.00 0.00 175.02 173.71 2f05 s SER 54 N 2.59 6.92 0.33 1.11 0.01 -1.26 -4.71 113.70 118.70 2f05 s SER 54 Ca 0.21 1.61 0.12 0.00 1.31 0.00 0.00 55.95 59.20 2f05 s SER 54 Cb -0.02 -2.51 1.03 0.00 0.21 0.00 0.00 66.02 64.73 2f05 s SER 54 CO -0.20 -0.32 1.65 -0.08 0.41 0.00 0.00 173.24 174.71 2f05 h GLU 55 N 2.03 0.28 -0.35 12.44 4.81 -1.99 0.26 114.58 132.05 2f05 h GLU 55 Ca -0.49 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 58.56 2f05 h GLU 55 Cb 1.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2f05 h GLU 55 CO 0.62 0.18 -0.42 1.49 -0.73 0.00 0.00 179.01 180.15 2f05 h GLU 56 N 0.28 0.88 0.00 1.92 4.81 -1.99 0.68 114.58 121.17 2f05 h GLU 56 Ca 0.71 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 2f05 h GLU 56 Cb 1.59 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 2f05 h GLU 56 CO -0.63 1.12 -0.59 1.05 -0.73 0.00 0.00 179.01 179.24 2f05 h GLU 57 N 0.71 0.00 0.26 1.92 4.11 -1.01 -2.39 114.58 118.18 2f05 h GLU 57 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2f05 h GLU 57 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2f05 h GLU 57 CO 0.10 0.59 -0.13 0.28 0.07 0.00 0.00 179.01 179.92 2f05 h VAL 58 N 0.00 0.74 -0.19 -1.06 2.07 -0.38 -2.18 116.25 115.26 2f05 h VAL 58 Ca -0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2f05 h VAL 58 Cb 1.26 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2f05 h VAL 58 CO 0.08 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.94 2f05 h PHE 59 N -0.36 0.24 -0.38 1.57 3.57 -0.70 -0.32 116.94 120.56 2f05 h PHE 59 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2f05 h PHE 59 CO -0.06 0.15 0.23 1.15 -2.23 0.00 0.00 178.31 177.55 2f05 h THR 60 N 0.26 1.12 -0.31 4.41 2.02 -0.89 0.60 112.91 120.12 2f05 h THR 60 Ca 0.07 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 2f05 h THR 60 Cb -0.03 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2f05 h THR 60 CO -0.02 0.12 -0.35 -0.33 0.37 0.00 0.00 175.52 175.32 2f05 h GLU 61 N 0.49 0.70 -0.10 6.66 4.39 -0.51 -0.51 114.58 125.70 2f05 h GLU 61 Ca 0.14 -0.34 -0.23 0.00 0.34 0.00 0.00 59.36 59.26 2f05 h GLU 61 Cb -0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2f05 h GLU 61 CO -0.03 0.95 -0.86 0.28 -1.16 0.00 0.00 179.01 178.19 2f05 h VAL 62 N 0.59 1.29 -0.04 3.13 2.07 -1.02 0.66 116.25 122.92 2f05 h VAL 62 Ca 0.06 -2.07 -0.07 0.00 0.82 0.00 0.00 66.70 65.44 2f05 h VAL 62 Cb 0.87 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2f05 h VAL 62 CO 0.08 0.65 -0.28 0.00 0.02 0.00 0.00 177.57 178.04 2f05 h ALA 63 N 0.54 1.46 0.01 1.67 0.00 0.45 0.10 119.26 123.49 2f05 h ALA 63 Ca -0.07 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2f05 h ALA 63 Cb 1.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2f05 h ALA 63 CO 0.17 0.39 -0.92 -0.97 0.00 0.00 0.00 179.25 177.92 2f05 h ASN 64 N 0.07 0.03 0.23 0.00 -1.24 -0.97 -2.41 115.58 111.28 2f05 h ASN 64 Ca 0.01 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2f05 h ASN 64 Cb 0.53 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.57 2f05 h ASN 64 CO 0.04 0.94 -0.11 0.25 -1.29 0.00 0.00 177.43 177.25 2f05 h LEU 65 N 0.01 -0.26 -5.71 0.34 7.12 0.13 -3.28 115.31 113.67 2f05 h LEU 65 Ca -0.02 -0.26 -0.75 0.00 0.13 0.00 0.00 57.88 56.99 2f05 h LEU 65 Cb 1.62 0.07 -0.31 0.00 -0.53 0.00 0.00 40.66 41.52 2f05 h LEU 65 CO 0.12 0.18 0.62 0.49 -0.13 0.00 0.00 178.44 179.73 2f05 n PHE 66 N -5.03 3.09 -1.67 1.25 3.72 0.26 -5.02 117.46 114.06 2f05 n PHE 66 Ca -0.09 -2.81 -0.45 0.00 -0.05 0.00 0.00 57.45 54.05 2f05 n PHE 66 Cb 0.26 -0.99 -0.04 0.00 -0.94 0.00 0.00 39.48 37.77 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 -0.22 2.47 0.00 -1.08 5.12 -0.91 -1.98 116.66 120.07 2f05 n ARG 67 Ca 0.45 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.27 2f05 n ARG 67 Cb 0.30 -2.79 0.00 0.00 -1.16 0.00 0.00 32.46 28.82 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f05 n GLY 68 N 4.37 2.67 2.84 -0.13 0.00 -1.26 -4.92 105.19 108.76 2f05 n GLY 68 Ca 0.21 -0.25 -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 2.71 0.30 1.61 1.13 -0.84 -4.71 117.38 117.58 2f05 n GLN 69 Ca 0.00 -2.57 0.18 0.00 -1.94 0.00 0.00 57.00 52.68 2f05 n GLN 69 Cb 0.00 -3.27 0.88 0.00 0.11 0.00 0.00 30.24 27.96 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 6.36 0.00 -0.26 -1.09 5.08 -1.91 -1.93 114.58 120.82 2f05 h GLU 70 Ca 0.54 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.93 2f05 h GLU 70 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2f05 h GLU 70 CO 1.86 0.02 0.08 0.22 -1.00 0.00 0.00 179.01 180.19 2f05 h ASP 71 N 0.00 0.07 0.48 1.42 3.58 -1.95 0.23 116.42 120.24 2f05 h ASP 71 Ca -0.00 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 2f05 h ASP 71 Cb 0.31 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2f05 h ASP 71 CO 0.00 0.07 -0.48 -0.07 -2.88 0.00 0.00 179.24 175.88 2f05 h LEU 72 N 0.19 0.01 0.01 2.28 3.38 -1.75 -2.70 115.31 116.74 2f05 h LEU 72 Ca 0.12 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 2f05 h LEU 72 Cb 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2f05 h LEU 72 CO -0.13 0.49 -1.14 -0.07 0.09 0.00 0.00 178.44 177.67 2f05 h LEU 73 N 0.01 0.53 0.03 1.67 3.38 -1.09 -2.71 115.31 117.12 2f05 h LEU 73 Ca -0.00 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2f05 h LEU 73 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2f05 h LEU 73 CO 0.06 1.34 -0.02 0.28 0.09 0.00 0.00 178.44 180.20 2f05 h SER 74 N 0.16 -0.04 0.84 -0.43 0.02 -0.48 -3.21 113.55 110.41 2f05 h SER 74 Ca -0.12 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2f05 h SER 74 Cb 1.82 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2f05 h SER 74 CO 0.20 0.63 0.00 -0.62 -1.14 0.00 0.00 176.83 175.90 2f05 n GLU 75 N -4.79 0.15 -0.15 3.45 -0.58 -1.03 -1.98 120.64 115.72 2f05 n GLU 75 Ca -0.09 0.32 0.07 0.00 -0.42 0.00 0.00 57.16 57.04 2f05 n GLU 75 Cb 0.32 -1.76 0.37 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.70 0.00 -0.32 3.57 -1.48 -1.03 116.94 118.39 2f05 h PHE 76 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2f05 h PHE 76 Cb 0.42 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2f05 h PHE 76 CO 0.00 0.38 -0.17 0.78 -2.23 0.00 0.00 178.31 177.07 2f05 h GLY 77 N 0.70 0.00 1.37 2.40 0.00 -1.52 -1.33 103.07 104.69 2f05 h GLY 77 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.41 2f05 h GLY 77 CO -0.09 0.00 -1.29 1.46 0.00 0.00 0.00 176.54 176.61 2f05 h GLN 78 N 0.00 0.00 0.00 4.80 4.20 -1.39 -3.20 115.11 119.52 2f05 h GLN 78 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2f05 h GLN 78 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2f05 h GLN 78 CO 0.02 0.57 -0.20 0.35 -0.67 0.00 0.00 178.83 178.89 2f05 h PHE 79 N 0.00 0.00 -2.18 2.96 3.57 -0.83 -3.43 116.94 117.03 2f05 h PHE 79 Ca -0.15 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.88 2f05 h PHE 79 Cb 1.76 0.00 0.08 0.00 2.79 0.00 0.00 35.95 40.58 2f05 h PHE 79 CO 0.00 0.20 0.11 -0.51 -2.23 0.00 0.00 178.31 175.89 2f05 s LEU 80 N -6.61 2.96 -0.58 0.59 1.02 -0.55 -4.98 118.68 110.54 2f05 s LEU 80 Ca 0.02 -0.36 -0.26 0.00 0.02 0.00 0.00 54.13 53.55 2f05 s LEU 80 Cb 0.09 -1.97 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 2f05 s LEU 80 CO 0.64 -1.90 2.27 -2.16 0.02 0.00 0.00 176.35 175.23 2f05 s PRO 81 N -5.17 2.16 0.36 1.29 0.04 -1.26 -4.77 135.00 127.65 2f05 s PRO 81 Ca 0.67 1.04 0.19 0.00 0.04 0.00 0.00 61.00 62.93 2f05 s PRO 81 Cb -0.05 -4.59 0.47 0.00 0.04 0.00 0.00 34.50 30.36 2f05 s PRO 81 CO 0.45 -3.34 1.63 1.49 0.04 0.00 0.00 177.00 177.27 2f05 h GLU 82 N 17.33 0.00 0.00 4.56 4.57 -1.84 -3.27 114.58 135.93 2f05 h GLU 82 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2f05 h GLU 82 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2f05 h GLU 82 CO 1.15 0.35 0.03 0.00 -1.18 0.00 0.00 179.01 179.37 2f05 h ALA 83 N 1.65 1.03 -0.32 2.92 0.00 -1.93 -1.44 119.26 121.17 2f05 h ALA 83 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2f05 h ALA 83 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2f05 h ALA 83 CO 0.05 -0.03 -0.23 0.87 0.00 0.00 0.00 179.25 179.91 2f05 h LYS 84 N 0.00 0.62 0.00 0.00 1.57 -1.98 -3.57 116.57 113.22 2f05 h LYS 84 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2f05 h LYS 84 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2f05 h LYS 84 CO 0.00 0.80 0.00 0.54 -0.57 0.00 0.00 179.45 180.22