#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 s SER 2 N 0.00 -0.20 0.12 4.31 0.01 -1.26 -5.16 113.70 111.53 2f05 s SER 2 Ca 0.00 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2f05 s SER 2 Cb 0.00 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.66 2f05 s SER 2 CO 0.00 -0.74 0.28 1.51 0.41 0.00 0.00 173.24 174.70 2f05 s ASP 3 N -2.44 -0.01 -0.54 2.44 1.47 -1.26 -4.99 116.67 111.34 2f05 s ASP 3 Ca -0.01 -0.61 -0.05 0.00 1.18 0.00 0.00 52.55 53.07 2f05 s ASP 3 Cb 0.01 0.41 0.01 0.00 -0.34 0.00 0.00 42.92 43.00 2f05 s ASP 3 CO -0.07 -0.81 0.57 -1.20 0.68 0.00 0.00 175.17 174.33 2f05 n SER 4 N -0.15 -7.01 -0.02 2.11 7.64 -1.26 -4.67 113.62 110.26 2f05 n SER 4 Ca -0.13 0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 2f05 n SER 4 Cb 0.63 -4.71 -0.05 0.00 -1.01 0.00 0.00 64.21 59.07 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 0.85 1.08 -0.13 0.44 2.07 -1.98 0.18 116.25 118.75 2f05 h VAL 5 Ca 0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2f05 h VAL 5 Cb 0.95 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2f05 h VAL 5 CO 0.23 0.07 -0.25 -0.33 0.02 0.00 0.00 177.57 177.31 2f05 h GLU 6 N 0.15 0.24 -0.15 1.57 4.39 -1.98 0.29 114.58 119.08 2f05 h GLU 6 Ca 0.05 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2f05 h GLU 6 Cb 0.04 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2f05 h GLU 6 CO -0.01 0.47 -0.06 0.35 -1.16 0.00 0.00 179.01 178.60 2f05 h PHE 7 N 0.21 0.36 -0.25 4.33 3.57 -1.85 -0.05 116.94 123.26 2f05 h PHE 7 Ca 0.04 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 2f05 h PHE 7 Cb 0.56 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2f05 h PHE 7 CO 0.01 0.62 0.00 -0.91 -2.23 0.00 0.00 178.31 175.81 2f05 h ASN 8 N -0.01 0.34 -0.28 0.41 2.35 0.39 0.53 115.58 119.32 2f05 h ASN 8 Ca 0.04 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2f05 h ASN 8 Cb 0.52 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2f05 h ASN 8 CO 0.02 0.40 0.07 0.78 -1.65 0.00 0.00 177.43 177.05 2f05 h ASN 9 N 0.37 0.43 -0.67 5.81 2.35 -0.30 0.17 115.58 123.73 2f05 h ASN 9 Ca 0.08 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2f05 h ASN 9 Cb 0.24 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2f05 h ASN 9 CO 0.01 0.55 0.43 0.00 -1.65 0.00 0.00 177.43 176.76 2f05 h ALA 10 N 0.90 0.86 -0.44 -0.83 0.00 0.09 -2.03 119.26 117.81 2f05 h ALA 10 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2f05 h ALA 10 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2f05 h ALA 10 CO 0.00 0.22 -0.02 0.82 0.00 0.00 0.00 179.25 180.27 2f05 h ILE 11 N 0.86 1.24 -0.85 0.00 1.08 0.33 -1.35 117.51 118.83 2f05 h ILE 11 Ca 0.26 -0.99 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 2f05 h ILE 11 Cb -0.04 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2f05 h ILE 11 CO -0.08 0.34 0.42 0.28 -0.69 0.00 0.00 178.15 178.43 2f05 h SER 12 N 0.67 1.09 -0.34 1.72 0.02 -0.04 0.75 113.55 117.43 2f05 h SER 12 Ca 0.13 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2f05 h SER 12 Cb 0.45 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2f05 h SER 12 CO 0.02 0.90 0.15 0.22 -1.14 0.00 0.00 176.83 176.98 2f05 h TYR 13 N 1.20 0.50 -0.34 3.45 3.20 -0.84 0.14 116.97 124.27 2f05 h TYR 13 Ca 0.29 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 2f05 h TYR 13 Cb 0.09 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2f05 h TYR 13 CO 0.01 0.45 -0.02 0.28 -1.64 0.00 0.00 178.16 177.24 2f05 h VAL 14 N 0.40 1.26 -0.44 1.81 2.07 -0.50 -2.07 116.25 118.79 2f05 h VAL 14 Ca 0.11 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2f05 h VAL 14 Cb 0.15 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2f05 h VAL 14 CO -0.01 0.34 0.14 -1.13 0.02 0.00 0.00 177.57 176.93 2f05 h ASN 15 N 0.43 0.57 -0.66 0.57 -1.24 0.60 0.27 115.58 116.11 2f05 h ASN 15 Ca 0.09 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 2f05 h ASN 15 Cb 0.49 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 2f05 h ASN 15 CO 0.02 0.55 0.30 0.50 -1.29 0.00 0.00 177.43 177.50 2f05 h LYS 16 N 0.62 0.97 0.08 6.67 3.64 -0.73 0.13 116.57 127.96 2f05 h LYS 16 Ca 0.15 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2f05 h LYS 16 Cb 0.17 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2f05 h LYS 16 CO -0.01 0.79 -0.04 0.82 -2.27 0.00 0.00 179.45 178.74 2f05 h ILE 17 N 0.93 1.03 -0.34 2.00 2.04 -0.49 -1.73 117.51 120.94 2f05 h ILE 17 Ca 0.22 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2f05 h ILE 17 Cb 0.16 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 2f05 h ILE 17 CO -0.02 0.10 -0.23 0.11 0.00 0.00 0.00 178.15 178.11 2f05 h LYS 18 N -0.30 -0.18 -0.73 2.37 1.57 -0.09 -1.72 116.57 117.49 2f05 h LYS 18 Ca -0.01 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2f05 h LYS 18 Cb 0.25 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2f05 h LYS 18 CO 0.02 -0.12 0.25 1.15 -0.57 0.00 0.00 179.45 180.18 2f05 h THR 19 N -0.18 1.26 0.00 -0.16 2.02 -0.74 0.16 112.91 115.27 2f05 h THR 19 Ca 0.17 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2f05 h THR 19 Cb 0.45 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2f05 h THR 19 CO -0.45 0.34 0.00 0.03 0.37 0.00 0.00 175.52 175.81 2f05 h ARG 20 N 1.07 0.00 -0.31 6.66 2.47 -0.61 -2.98 114.38 120.67 2f05 h ARG 20 Ca 0.24 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.71 2f05 h ARG 20 Cb 0.28 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 28.26 2f05 h ARG 20 CO -0.01 0.00 -0.93 1.19 0.56 0.00 0.00 179.97 180.78 2f05 n PHE 21 N -3.06 1.03 0.27 3.04 3.72 -0.71 -4.88 117.46 116.87 2f05 n PHE 21 Ca 0.02 -1.61 0.14 0.00 -0.05 0.00 0.00 57.45 55.96 2f05 n PHE 21 Cb 0.39 -0.24 0.78 0.00 -0.94 0.00 0.00 39.48 39.47 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 0.00 -1.49 4.37 6.46 -0.52 0.13 115.31 126.08 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 1.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2f05 h LEU 22 CO 0.25 0.09 -0.16 -0.67 -0.62 0.00 0.00 178.44 177.33 2f05 n ASP 23 N -3.52 2.47 -3.64 1.25 2.03 -1.26 -4.66 116.55 109.22 2f05 n ASP 23 Ca -0.02 -1.75 -0.27 0.00 0.52 0.00 0.00 54.79 53.27 2f05 n ASP 23 Cb 0.22 0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.72 2.20 0.23 -0.67 8.25 0.45 -4.94 115.22 121.47 2f05 n HIS 24 Ca 0.13 -4.02 0.13 0.00 -0.26 0.00 0.00 57.72 53.70 2f05 n HIS 24 Cb 0.53 -0.41 0.75 0.00 1.12 0.00 0.00 29.99 31.97 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 5.06 0.00 -0.91 -0.41 0.11 -1.83 -2.46 132.00 131.57 2f05 h PRO 25 Ca 0.18 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.37 2f05 h PRO 25 Cb 0.77 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 2f05 h PRO 25 CO 0.65 0.00 0.56 1.05 -0.21 0.00 0.00 178.00 180.05 2f05 h GLU 26 N 0.00 0.95 -0.29 1.05 4.11 -1.92 0.11 114.58 118.60 2f05 h GLU 26 Ca 0.04 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2f05 h GLU 26 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2f05 h GLU 26 CO -0.00 0.63 -0.18 0.82 0.07 0.00 0.00 179.01 180.34 2f05 h ILE 27 N 0.98 1.30 0.14 -1.06 2.04 -1.79 0.22 117.51 119.34 2f05 h ILE 27 Ca 0.41 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2f05 h ILE 27 Cb 0.26 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2f05 h ILE 27 CO -0.20 0.42 -0.07 0.22 0.00 0.00 0.00 178.15 178.52 2f05 h TYR 28 N 0.39 -0.18 -0.09 1.37 3.20 -1.49 -1.62 116.97 118.56 2f05 h TYR 28 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2f05 h TYR 28 Cb 0.72 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 2f05 h TYR 28 CO 0.06 -0.05 0.06 -0.09 -1.64 0.00 0.00 178.16 176.50 2f05 h ARG 29 N -0.26 0.12 0.00 1.82 2.43 -0.57 -0.41 114.38 117.52 2f05 h ARG 29 Ca -0.02 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2f05 h ARG 29 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2f05 h ARG 29 CO 0.03 0.08 -0.24 0.77 -1.51 0.00 0.00 179.97 179.11 2f05 h SER 30 N 0.11 0.00 -0.10 -3.80 0.02 -0.52 -1.21 113.55 108.06 2f05 h SER 30 Ca 0.03 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.76 2f05 h SER 30 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2f05 h SER 30 CO -0.01 0.24 -0.81 0.15 -1.14 0.00 0.00 176.83 175.26 2f05 h PHE 31 N 0.00 1.00 -0.06 3.45 3.57 -0.82 -3.12 116.94 120.96 2f05 h PHE 31 Ca -0.00 -0.48 0.02 0.00 3.53 0.00 0.00 57.97 61.04 2f05 h PHE 31 Cb 0.42 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2f05 h PHE 31 CO 0.00 1.30 0.05 -0.07 -2.23 0.00 0.00 178.31 177.37 2f05 h LEU 32 N 0.41 0.00 -0.59 0.59 3.38 -0.43 -0.81 115.31 117.86 2f05 h LEU 32 Ca -0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2f05 h LEU 32 Cb 1.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2f05 h LEU 32 CO 0.16 0.00 -0.68 1.05 0.09 0.00 0.00 178.44 179.06 2f05 h GLU 33 N 0.00 0.11 -0.06 1.13 4.11 -1.19 -1.62 114.58 117.07 2f05 h GLU 33 Ca 0.03 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2f05 h GLU 33 Cb 0.13 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2f05 h GLU 33 CO -0.00 0.75 -0.05 0.82 0.07 0.00 0.00 179.01 180.60 2f05 h ILE 34 N 0.08 1.36 0.00 -1.06 2.04 -1.15 0.33 117.51 119.11 2f05 h ILE 34 Ca -0.01 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.57 2f05 h ILE 34 Cb 1.22 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 2f05 h ILE 34 CO 0.10 0.32 -0.46 -0.07 0.00 0.00 0.00 178.15 178.04 2f05 h LEU 35 N -0.29 0.00 -0.17 1.44 -0.00 -1.45 0.17 115.31 115.01 2f05 h LEU 35 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.83 2f05 h LEU 35 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2f05 h LEU 35 CO 0.01 0.46 -0.14 -0.74 -0.00 0.00 0.00 178.44 178.04 2f05 h HIS 36 N 0.00 0.47 0.00 1.13 2.76 -1.20 -2.16 115.15 116.15 2f05 h HIS 36 Ca -0.00 -0.13 -0.11 0.00 -2.20 0.00 0.00 60.37 57.93 2f05 h HIS 36 Cb 0.86 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 2f05 h HIS 36 CO 0.00 0.75 -0.51 0.00 -1.30 0.00 0.00 177.93 176.87 2f05 h THR 37 N 0.06 1.25 0.22 6.26 1.03 -0.63 -2.03 112.91 119.07 2f05 h THR 37 Ca 0.03 -1.82 -0.01 0.00 -0.01 0.00 0.00 66.41 64.60 2f05 h THR 37 Cb 0.65 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 2f05 h THR 37 CO 0.04 0.50 -0.10 0.22 -0.01 0.00 0.00 175.52 176.16 2f05 h TYR 38 N 0.00 -0.27 0.00 0.00 3.20 -0.57 -1.16 116.97 118.18 2f05 h TYR 38 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2f05 h TYR 38 Cb 0.97 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2f05 h TYR 38 CO 0.00 -0.09 -0.29 1.96 -1.64 0.00 0.00 178.16 178.11 2f05 h GLN 39 N -0.39 0.00 0.00 1.82 4.20 -1.26 -1.68 115.11 117.80 2f05 h GLN 39 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2f05 h GLN 39 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2f05 h GLN 39 CO 0.05 0.29 0.00 1.63 -0.67 0.00 0.00 178.83 180.12 2f05 n LYS 40 N -4.10 0.23 0.09 1.46 4.01 -0.77 -0.10 118.16 118.97 2f05 n LYS 40 Ca -0.02 0.26 -0.23 0.00 -0.51 0.00 0.00 58.31 57.81 2f05 n LYS 40 Cb 0.34 -1.81 -0.15 0.00 -0.51 0.00 0.00 35.03 32.90 2f05 n LYS 40 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2f05 h GLU 41 N 0.00 0.42 0.59 1.97 4.22 -0.28 -3.12 114.58 118.38 2f05 h GLU 41 Ca 0.00 -0.72 -0.03 0.00 0.08 0.00 0.00 59.36 58.69 2f05 h GLU 41 Cb 0.62 0.27 0.01 0.00 0.50 0.00 0.00 28.75 30.15 2f05 h GLU 41 CO 0.00 1.34 -0.28 1.96 -2.18 0.00 0.00 179.01 179.85 2f05 h GLN 42 N 0.01 -0.76 -4.67 1.92 1.08 -1.24 -3.38 115.11 108.07 2f05 h GLN 42 Ca -0.29 0.05 -0.68 0.00 -1.45 0.00 0.00 58.65 56.29 2f05 h GLN 42 Cb 2.03 0.17 -0.36 0.00 -0.05 0.00 0.00 27.48 29.27 2f05 h GLN 42 CO 0.19 -0.47 -0.67 -0.51 -0.95 0.00 0.00 178.83 176.43 2f05 s LEU 43 N -9.85 4.51 -0.72 1.46 2.01 0.86 -5.06 118.68 111.89 2f05 s LEU 43 Ca -0.16 -1.78 -0.20 0.00 0.01 0.00 0.00 54.13 52.00 2f05 s LEU 43 Cb 0.03 -1.70 0.11 0.00 0.01 0.00 0.00 46.19 44.63 2f05 s LEU 43 CO 0.57 -0.37 0.90 -2.28 1.01 0.00 0.00 176.35 176.18 2f05 s HIS 44 N 1.10 2.99 -2.32 0.29 2.46 -1.18 -3.97 115.29 114.66 2f05 s HIS 44 Ca 0.03 -1.03 0.21 0.00 0.47 0.00 0.00 55.06 54.74 2f05 s HIS 44 Cb -0.20 -4.16 0.58 0.00 -0.13 0.00 0.00 32.58 28.66 2f05 s HIS 44 CO -0.05 -1.43 1.46 0.25 -2.47 0.00 0.00 174.74 172.50 2f05 n THR 45 N 5.53 0.38 -0.43 0.89 -2.24 -1.26 -5.05 114.28 112.09 2f05 n THR 45 Ca 0.03 -0.54 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 2f05 n THR 45 Cb 0.45 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 2f05 n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f05 n LYS 46 N 0.84 -0.94 0.00 -0.78 5.02 -1.26 -5.06 118.16 115.98 2f05 n LYS 46 Ca 0.17 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2f05 n LYS 46 Cb 0.44 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 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 -3.01 0.91 3.68 0.72 0.00 -1.26 -5.09 105.19 101.14 2f05 n GLY 47 Ca -0.01 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 2.43 0.29 1.61 0.52 -1.26 -5.08 118.95 117.45 2f05 s ARG 48 Ca 0.00 -1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 53.68 2f05 s ARG 48 Cb 0.00 -2.30 -0.13 0.00 0.52 0.00 0.00 34.95 33.04 2f05 s ARG 48 CO 0.00 0.41 1.29 -2.30 0.02 0.00 0.00 175.30 174.72 2f05 n PRO 49 N -0.60 1.95 -1.51 3.54 -0.02 -1.26 -4.75 135.00 132.35 2f05 n PRO 49 Ca -0.08 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 2f05 n PRO 49 Cb 0.57 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 2f05 n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2f05 n PHE 50 N 0.99 0.94 -3.85 6.00 3.01 -1.26 -4.90 117.46 118.39 2f05 n PHE 50 Ca 0.08 0.30 -0.20 0.00 1.01 0.00 0.00 57.45 58.64 2f05 n PHE 50 Cb 0.33 -2.48 -0.17 0.00 -0.01 0.00 0.00 39.48 37.16 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2f05 s ARG 51 N 8.49 0.43 -1.09 -1.08 6.06 -1.26 -5.08 118.95 125.42 2f05 s ARG 51 Ca 1.21 0.12 -0.21 0.00 -2.50 0.00 0.00 55.73 54.34 2f05 s ARG 51 Cb -0.87 -0.73 0.06 0.00 0.06 0.00 0.00 34.95 33.47 2f05 s ARG 51 CO 0.42 -0.23 1.51 0.20 -2.50 0.00 0.00 175.30 174.70 2f05 s GLY 52 N 1.59 1.41 -0.65 8.12 0.00 -1.26 -4.91 107.32 111.61 2f05 s GLY 52 Ca -0.01 -2.47 -0.28 0.00 0.00 0.00 0.00 44.72 41.96 2f05 s GLY 52 CO -0.03 2.66 2.51 -0.13 0.00 0.00 0.00 173.10 178.11 2f05 n MET 53 N 8.61 0.70 -3.06 2.90 1.56 -1.26 -4.91 117.12 121.66 2f05 n MET 53 Ca 0.37 -0.01 -0.33 0.00 -0.27 0.00 0.00 57.70 57.46 2f05 n MET 53 Cb 0.50 -2.82 -0.06 0.00 2.15 0.00 0.00 33.22 32.98 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 11.22 6.87 0.39 6.12 0.01 -1.26 -4.92 113.70 132.12 2f05 s SER 54 Ca 1.10 1.40 0.12 0.00 1.31 0.00 0.00 55.95 59.88 2f05 s SER 54 Cb -0.53 -2.42 0.93 0.00 0.21 0.00 0.00 66.02 64.22 2f05 s SER 54 CO 0.34 -0.19 1.89 -0.08 0.41 0.00 0.00 173.24 175.61 2f05 h GLU 55 N 2.40 0.54 -0.56 12.44 4.81 -1.99 0.35 114.58 132.58 2f05 h GLU 55 Ca -0.48 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2f05 h GLU 55 Cb 1.18 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2f05 h GLU 55 CO 0.65 0.36 0.33 1.49 -0.73 0.00 0.00 179.01 181.10 2f05 h GLU 56 N 0.56 0.77 0.00 1.92 4.81 -1.99 0.11 114.58 120.76 2f05 h GLU 56 Ca 0.41 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2f05 h GLU 56 Cb 0.77 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2f05 h GLU 56 CO -0.16 0.57 -0.23 1.05 -0.73 0.00 0.00 179.01 179.51 2f05 h GLU 57 N 0.76 0.00 0.27 1.92 4.11 -1.35 -0.89 114.58 119.39 2f05 h GLU 57 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 2f05 h GLU 57 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2f05 h GLU 57 CO -0.04 0.23 -0.13 0.28 0.07 0.00 0.00 179.01 179.42 2f05 h VAL 58 N 0.00 0.76 -0.94 -1.06 2.07 -0.77 -0.57 116.25 115.73 2f05 h VAL 58 Ca -0.00 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2f05 h VAL 58 Cb 1.13 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2f05 h VAL 58 CO 0.03 0.13 0.56 0.15 0.02 0.00 0.00 177.57 178.46 2f05 h PHE 59 N -0.73 1.25 0.12 1.57 3.57 -0.59 -1.30 116.94 120.83 2f05 h PHE 59 Ca -0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.49 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2f05 h PHE 59 CO 0.03 0.83 -0.19 1.15 -2.23 0.00 0.00 178.31 177.90 2f05 h THR 60 N 1.30 0.57 -0.00 4.41 2.02 -1.11 0.24 112.91 120.34 2f05 h THR 60 Ca 0.34 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.45 2f05 h THR 60 Cb -0.05 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2f05 h THR 60 CO -0.06 0.00 -0.34 -0.33 0.37 0.00 0.00 175.52 175.16 2f05 h GLU 61 N -0.37 0.00 0.00 6.66 4.39 -0.49 0.33 114.58 125.11 2f05 h GLU 61 Ca 0.02 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.51 2f05 h GLU 61 Cb 0.39 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2f05 h GLU 61 CO -0.10 0.34 -0.81 0.28 -1.16 0.00 0.00 179.01 177.56 2f05 h VAL 62 N 0.00 1.36 -0.69 3.13 2.07 -1.04 -0.40 116.25 120.68 2f05 h VAL 62 Ca -0.00 -2.17 -0.05 0.00 0.82 0.00 0.00 66.70 65.30 2f05 h VAL 62 Cb 0.60 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2f05 h VAL 62 CO 0.04 0.65 0.22 0.00 0.02 0.00 0.00 177.57 178.51 2f05 h ALA 63 N 0.35 1.08 -0.16 1.67 0.00 -0.08 -0.05 119.26 122.08 2f05 h ALA 63 Ca -0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2f05 h ALA 63 Cb 1.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2f05 h ALA 63 CO 0.16 0.63 -0.18 -0.97 0.00 0.00 0.00 179.25 178.88 2f05 h ASN 64 N 1.03 0.26 -0.03 0.00 -1.24 -0.35 0.10 115.58 115.34 2f05 h ASN 64 Ca 0.23 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2f05 h ASN 64 Cb 0.28 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.26 2f05 h ASN 64 CO -0.01 0.46 -0.19 0.25 -1.29 0.00 0.00 177.43 176.65 2f05 h LEU 65 N 0.25 0.23 -4.22 0.34 7.12 -0.20 -3.33 115.31 115.49 2f05 h LEU 65 Ca 0.05 -0.68 -0.64 0.00 0.13 0.00 0.00 57.88 56.74 2f05 h LEU 65 Cb 0.47 -0.07 -0.36 0.00 -0.53 0.00 0.00 40.66 40.18 2f05 h LEU 65 CO 0.03 0.87 0.07 0.49 -0.13 0.00 0.00 178.44 179.77 2f05 n PHE 66 N -4.56 3.07 -1.64 1.25 3.72 -0.11 -5.01 117.46 114.18 2f05 n PHE 66 Ca -0.09 -2.66 -0.42 0.00 -0.05 0.00 0.00 57.45 54.23 2f05 n PHE 66 Cb 0.44 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 2.97 0.00 -1.08 0.52 0.01 -0.48 118.95 117.14 2f05 s ARG 67 Ca 0.55 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 2f05 s ARG 67 Cb 0.44 -4.39 0.00 0.00 0.52 0.00 0.00 34.95 31.52 2f05 s ARG 67 CO -0.11 -2.29 0.00 0.41 0.02 0.00 0.00 175.30 173.33 2f05 n GLY 68 N 5.78 1.79 3.41 -3.53 0.00 -1.26 -5.02 105.19 106.36 2f05 n GLY 68 Ca 0.30 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.17 3.40 0.28 1.61 1.13 0.37 -4.78 117.38 119.22 2f05 n GLN 69 Ca 0.00 -3.86 0.17 0.00 -1.94 0.00 0.00 57.00 51.37 2f05 n GLN 69 Cb 0.00 -3.01 0.70 0.00 0.11 0.00 0.00 30.24 28.05 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 6.99 0.00 -0.30 -1.09 5.08 -1.96 -2.52 114.58 120.79 2f05 h GLU 70 Ca 0.32 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 2f05 h GLU 70 Cb 0.85 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 2f05 h GLU 70 CO 1.26 0.00 -0.34 -0.44 -1.00 0.00 0.00 179.01 178.50 2f05 h ASP 71 N 0.00 -1.10 0.68 1.42 5.19 -1.96 0.14 116.42 120.79 2f05 h ASP 71 Ca -0.00 0.18 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 2f05 h ASP 71 Cb 0.50 0.49 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 2f05 h ASP 71 CO 0.00 -0.34 -0.72 -0.07 -3.12 0.00 0.00 179.24 174.98 2f05 h LEU 72 N -0.32 0.04 -0.02 1.55 3.38 -1.86 -2.44 115.31 115.64 2f05 h LEU 72 Ca 0.14 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 2f05 h LEU 72 Cb 0.55 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2f05 h LEU 72 CO -0.47 0.75 -1.07 -0.07 0.09 0.00 0.00 178.44 177.66 2f05 h LEU 73 N 0.02 0.28 0.00 1.67 3.38 -1.17 -0.75 115.31 118.74 2f05 h LEU 73 Ca -0.01 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 2f05 h LEU 73 Cb 1.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2f05 h LEU 73 CO 0.10 1.17 -0.88 0.28 0.09 0.00 0.00 178.44 179.20 2f05 h SER 74 N 0.07 0.00 0.20 -0.43 0.02 -0.74 -3.18 113.55 109.49 2f05 h SER 74 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2f05 h SER 74 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2f05 h SER 74 CO 0.17 0.81 -0.24 -0.62 -1.14 0.00 0.00 176.83 175.80 2f05 n GLU 75 N -3.27 0.93 0.22 3.45 -0.58 -0.92 -4.33 120.64 116.14 2f05 n GLU 75 Ca -0.01 -0.56 -0.15 0.00 -0.42 0.00 0.00 57.16 56.02 2f05 n GLU 75 Cb 0.87 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.36 -0.90 0.00 -0.32 3.57 -1.11 0.16 116.94 119.69 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 0.52 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2f05 h PHE 76 CO 0.00 -0.48 0.00 0.78 -2.23 0.00 0.00 178.31 176.38 2f05 h GLY 77 N -0.71 0.00 1.15 2.40 0.00 -1.77 -1.70 103.07 102.44 2f05 h GLY 77 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 2f05 h GLY 77 CO -0.05 0.00 -1.59 1.46 0.00 0.00 0.00 176.54 176.35 2f05 h GLN 78 N 0.00 0.08 -0.10 4.80 1.08 -1.62 -3.34 115.11 116.00 2f05 h GLN 78 Ca 0.00 -0.14 -0.21 0.00 -1.45 0.00 0.00 58.65 56.86 2f05 h GLN 78 Cb 0.32 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2f05 h GLN 78 CO 0.00 0.78 -0.77 0.35 -0.95 0.00 0.00 178.83 178.24 2f05 h PHE 79 N 0.02 0.80 -4.29 2.96 3.57 -0.35 -3.47 116.94 116.18 2f05 h PHE 79 Ca -0.25 -0.36 -0.51 0.00 3.53 0.00 0.00 57.97 60.38 2f05 h PHE 79 Cb 1.98 -0.12 0.14 0.00 2.79 0.00 0.00 35.95 40.74 2f05 h PHE 79 CO 0.02 1.15 0.30 -0.51 -2.23 0.00 0.00 178.31 177.05 2f05 s LEU 80 N -8.15 2.94 0.00 0.59 1.02 -0.70 -4.91 118.68 109.47 2f05 s LEU 80 Ca -0.08 1.85 0.22 0.00 0.02 0.00 0.00 54.13 56.14 2f05 s LEU 80 Cb 0.09 -4.48 1.31 0.00 0.02 0.00 0.00 46.19 43.14 2f05 s LEU 80 CO 0.87 -2.23 1.69 -0.81 0.02 0.00 0.00 176.35 175.90 2f05 n PRO 81 N -3.65 0.69 -1.78 1.29 -0.04 -1.26 -4.24 135.00 126.00 2f05 n PRO 81 Ca 0.09 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 2f05 n PRO 81 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2f05 n PRO 81 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2f05 n GLU 82 N -1.00 3.94 0.24 0.54 4.07 -1.26 -4.78 120.64 122.39 2f05 n GLU 82 Ca 0.16 -2.94 0.09 0.00 -0.06 0.00 0.00 57.16 54.42 2f05 n GLU 82 Cb 0.08 -2.81 0.50 0.00 -0.06 0.00 0.00 31.44 29.14 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f05 h ALA 83 N 5.07 1.32 0.00 4.31 0.00 -1.84 0.27 119.26 128.39 2f05 h ALA 83 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2f05 h ALA 83 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2f05 h ALA 83 CO 1.66 -0.32 0.00 1.57 0.00 0.00 0.00 179.25 182.16 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 5.09 -1.91 -3.51 116.57 116.22 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 0.75 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.08 2f05 h LYS 84 CO 0.00 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.90