#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cg4 s LEU 5 N 0.00 3.19 -0.10 2.98 2.34 -1.26 -5.09 118.68 120.73 2cg4 s LEU 5 Ca 0.00 0.23 -0.03 0.00 0.06 0.00 0.00 54.13 54.39 2cg4 s LEU 5 Cb 0.00 -3.04 0.05 0.00 -0.56 0.00 0.00 46.19 42.63 2cg4 s LEU 5 CO 0.00 -1.21 0.09 -0.63 -1.06 0.00 0.00 176.35 173.54 2cg4 s ILE 6 N -2.90 -0.13 1.22 1.48 1.01 -1.26 -5.11 121.20 115.52 2cg4 s ILE 6 Ca 0.57 0.17 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 2cg4 s ILE 6 Cb -0.10 -0.36 0.29 0.00 0.01 0.00 0.00 42.46 42.30 2cg4 s ILE 6 CO 0.41 -0.02 1.04 -1.81 0.00 0.00 0.00 174.94 174.56 2cg4 s ASP 7 N 2.18 0.71 0.08 3.58 1.11 -1.26 -4.90 116.67 118.18 2cg4 s ASP 7 Ca 0.04 0.98 0.25 0.00 0.18 0.00 0.00 52.55 54.00 2cg4 s ASP 7 Cb -0.14 -1.47 0.97 0.00 1.07 0.00 0.00 42.92 43.36 2cg4 s ASP 7 CO -0.06 -4.29 1.77 0.59 1.18 0.00 0.00 175.17 174.35 2cg4 n ASN 8 N -4.92 0.28 -0.06 0.27 3.02 -1.26 -2.76 115.26 109.83 2cg4 n ASN 8 Ca 0.09 0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 55.05 2cg4 n ASN 8 Cb 0.58 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 2cg4 n ASN 8 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2cg4 h LEU 9 N 0.00 0.47 -0.53 3.41 5.85 -1.99 -2.16 115.31 120.36 2cg4 h LEU 9 Ca 0.00 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2cg4 h LEU 9 Cb 0.49 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2cg4 h LEU 9 CO 0.00 0.85 0.31 0.44 -0.34 0.00 0.00 178.44 179.70 2cg4 h ASP 10 N 0.10 0.49 -0.61 1.25 3.32 -1.89 -1.37 116.42 117.70 2cg4 h ASP 10 Ca 0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2cg4 h ASP 10 Cb 0.72 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2cg4 h ASP 10 CO 0.04 0.34 0.20 0.03 -1.72 0.00 0.00 179.24 178.13 2cg4 h ARG 11 N 0.61 0.95 -0.80 3.56 3.08 -1.58 -1.59 114.38 118.61 2cg4 h ARG 11 Ca 0.22 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2cg4 h ARG 11 Cb 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2cg4 h ARG 11 CO -0.11 0.84 0.44 0.78 -1.07 0.00 0.00 179.97 180.85 2cg4 h GLY 12 N 0.88 1.20 0.94 0.04 0.00 -1.07 -0.65 103.07 104.40 2cg4 h GLY 12 Ca 0.20 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2cg4 h GLY 12 CO -0.01 0.52 0.12 -2.22 0.00 0.00 0.00 176.54 174.96 2cg4 h ILE 13 N 1.11 1.22 -0.14 2.60 2.04 -1.10 -2.56 117.51 120.67 2cg4 h ILE 13 Ca 0.28 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2cg4 h ILE 13 Cb 0.04 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2cg4 h ILE 13 CO -0.04 0.26 0.02 -0.07 0.00 0.00 0.00 178.15 178.32 2cg4 h LEU 14 N 0.53 0.23 -0.22 1.44 3.38 -0.87 -0.24 115.31 119.56 2cg4 h LEU 14 Ca 0.13 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2cg4 h LEU 14 Cb 0.28 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2cg4 h LEU 14 CO -0.00 0.43 -0.20 -0.08 0.09 0.00 0.00 178.44 178.67 2cg4 h GLU 15 N 0.02 -0.21 -0.24 1.13 4.81 -1.18 0.13 114.58 119.05 2cg4 h GLU 15 Ca 0.04 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2cg4 h GLU 15 Cb 0.30 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2cg4 h GLU 15 CO 0.00 -0.14 -0.28 0.00 -0.73 0.00 0.00 179.01 177.86 2cg4 h ALA 16 N 0.87 -0.22 -0.00 2.92 0.00 -1.25 -2.85 119.26 118.73 2cg4 h ALA 16 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cg4 h ALA 16 Cb 0.41 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2cg4 h ALA 16 CO -0.35 -0.72 -0.17 1.28 0.00 0.00 0.00 179.25 179.29 2cg4 n LEU 17 N -5.40 0.39 0.05 0.00 4.77 -0.12 -2.30 117.00 114.39 2cg4 n LEU 17 Ca -0.01 0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2cg4 n LEU 17 Cb 0.31 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2cg4 n LEU 17 CO 0.13 0.08 -0.04 0.24 -1.33 0.00 0.00 177.39 176.47 2cg4 h MET 18 N 0.34 0.00 0.00 3.23 2.86 -0.57 -3.22 114.93 117.56 2cg4 h MET 18 Ca 0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2cg4 h MET 18 Cb 0.42 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2cg4 h MET 18 CO 0.00 0.59 -1.40 0.78 1.06 0.00 0.00 176.91 177.94 2cg4 h GLY 19 N 3.41 0.00 -5.79 8.32 0.00 -1.38 -3.45 103.07 104.17 2cg4 h GLY 19 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.24 2cg4 h GLY 19 CO 0.08 0.00 -0.28 0.21 0.00 0.00 0.00 176.54 176.55 2cg4 s ASN 20 N -6.32 -0.90 0.52 0.19 3.84 -0.97 -5.02 114.94 106.27 2cg4 s ASN 20 Ca -0.02 0.98 0.35 0.00 0.21 0.00 0.00 52.86 54.37 2cg4 s ASN 20 Cb 0.09 1.93 1.79 0.00 -0.55 0.00 0.00 41.25 44.50 2cg4 s ASN 20 CO 0.82 -0.25 2.06 0.00 -2.79 0.00 0.00 177.10 176.94 2cg4 h ALA 21 N 8.05 1.00 -0.05 1.71 0.00 -1.83 -2.98 119.26 125.16 2cg4 h ALA 21 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cg4 h ALA 21 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2cg4 h ALA 21 CO 0.20 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.99 2cg4 n ARG 22 N -2.78 1.52 -1.66 0.00 1.74 -1.26 -4.90 116.66 109.32 2cg4 n ARG 22 Ca -0.02 -1.59 -0.44 0.00 -0.77 0.00 0.00 57.85 55.03 2cg4 n ARG 22 Cb 0.11 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 2cg4 n ARG 22 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2cg4 n THR 23 N 1.00 0.67 -2.31 0.55 -2.24 -1.13 -4.89 114.28 105.93 2cg4 n THR 23 Ca 0.11 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 2cg4 n THR 23 Cb 0.45 -2.21 -0.03 0.00 -2.10 0.00 0.00 70.33 66.43 2cg4 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cg4 s ALA 24 N 4.82 3.46 0.54 6.98 0.00 -1.26 -4.90 121.76 131.41 2cg4 s ALA 24 Ca 0.92 1.04 0.28 0.00 0.00 0.00 0.00 51.96 54.19 2cg4 s ALA 24 Cb -0.50 -3.42 1.44 0.00 0.00 0.00 0.00 23.12 20.64 2cg4 s ALA 24 CO 0.44 -0.41 1.96 1.88 0.00 0.00 0.00 175.76 179.63 2cg4 h TYR 25 N 4.41 0.00 0.00 0.00 0.99 -1.94 0.17 116.97 120.60 2cg4 h TYR 25 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 2cg4 h TYR 25 Cb 1.22 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.95 2cg4 h TYR 25 CO 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.76 2cg4 h ALA 26 N 1.65 1.00 0.04 3.88 0.00 -1.90 -1.93 119.26 122.01 2cg4 h ALA 26 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.94 2cg4 h ALA 26 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2cg4 h ALA 26 CO -0.00 0.00 -1.37 1.49 0.00 0.00 0.00 179.25 179.37 2cg4 h GLU 27 N 0.00 0.09 0.01 0.00 4.81 -1.03 -3.21 114.58 115.25 2cg4 h GLU 27 Ca 0.00 -0.16 -0.22 0.00 -0.13 0.00 0.00 59.36 58.86 2cg4 h GLU 27 Cb 0.74 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2cg4 h GLU 27 CO 0.00 0.92 -0.93 -0.07 -0.73 0.00 0.00 179.01 178.19 2cg4 h LEU 28 N 0.03 0.39 0.04 1.64 3.38 -1.34 -2.27 115.31 117.18 2cg4 h LEU 28 Ca -0.16 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.51 2cg4 h LEU 28 Cb 1.92 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2cg4 h LEU 28 CO 0.13 1.13 -0.20 0.00 0.09 0.00 0.00 178.44 179.59 2cg4 h ALA 29 N 0.84 -0.29 -0.91 1.53 0.00 -1.49 0.19 119.26 119.13 2cg4 h ALA 29 Ca -0.07 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2cg4 h ALA 29 Cb 1.57 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2cg4 h ALA 29 CO 0.15 -0.71 0.58 -0.22 0.00 0.00 0.00 179.25 179.05 2cg4 h LYS 30 N -0.35 0.69 0.16 0.00 1.63 -1.55 -0.36 116.57 116.79 2cg4 h LYS 30 Ca 0.05 -0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.51 2cg4 h LYS 30 Cb 0.40 -0.16 0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2cg4 h LYS 30 CO -0.16 0.46 -1.30 0.37 -3.45 0.00 0.00 179.45 175.36 2cg4 h GLN 31 N 0.71 0.44 -0.03 1.90 4.15 -0.69 -3.30 115.11 118.29 2cg4 h GLN 31 Ca 0.46 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2cg4 h GLN 31 Cb 0.73 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.66 2cg4 h GLN 31 CO -0.22 1.31 -0.12 1.19 -1.93 0.00 0.00 178.83 179.07 2cg4 n PHE 32 N -3.66 0.00 -3.27 3.99 3.01 0.56 -4.99 117.46 113.11 2cg4 n PHE 32 Ca -0.12 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.19 2cg4 n PHE 32 Cb 1.03 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.58 2cg4 n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cg4 n GLY 33 N 1.32 -0.49 2.21 1.37 0.00 -0.20 -5.05 105.19 104.35 2cg4 n GLY 33 Ca 0.12 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 2cg4 n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cg4 n VAL 34 N -3.69 0.00 -3.10 1.61 3.14 -0.86 -5.06 118.33 110.37 2cg4 n VAL 34 Ca -0.22 -1.64 -0.34 0.00 -2.96 0.00 0.00 64.34 59.18 2cg4 n VAL 34 Cb 0.65 0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 34.09 2cg4 n VAL 34 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2cg4 s SER 35 N -2.63 6.93 0.61 6.55 1.04 -1.26 -4.41 113.70 120.54 2cg4 s SER 35 Ca 0.22 1.38 0.13 0.00 0.48 0.00 0.00 55.95 58.16 2cg4 s SER 35 Cb 0.01 -2.41 0.71 0.00 0.10 0.00 0.00 66.02 64.43 2cg4 s SER 35 CO 0.16 -0.09 1.37 -0.65 0.98 0.00 0.00 173.24 175.00 2cg4 h PRO 36 N 2.84 0.00 0.03 4.02 0.11 -1.92 -2.66 132.00 134.41 2cg4 h PRO 36 Ca -0.48 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 2cg4 h PRO 36 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2cg4 h PRO 36 CO 0.65 0.00 -1.92 0.39 -0.21 0.00 0.00 178.00 176.91 2cg4 n GLU 37 N -2.55 0.67 -0.05 1.05 4.71 -1.26 -2.71 120.64 120.50 2cg4 n GLU 37 Ca -0.01 0.23 -0.14 0.00 -0.01 0.00 0.00 57.16 57.24 2cg4 n GLU 37 Cb 0.68 -1.72 -0.08 0.00 -1.01 0.00 0.00 31.44 29.31 2cg4 n GLU 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2cg4 h THR 38 N 0.02 1.37 -0.72 2.62 1.35 -1.87 -2.51 112.91 113.17 2cg4 h THR 38 Ca -0.37 -1.48 0.16 0.00 -0.55 0.00 0.00 66.41 64.17 2cg4 h THR 38 Cb 2.05 2.02 -0.12 0.00 -1.73 0.00 0.00 68.15 70.37 2cg4 h THR 38 CO 0.06 0.43 0.05 0.40 -0.25 0.00 0.00 175.52 176.21 2cg4 h ILE 39 N -0.02 0.42 -0.89 6.82 2.04 -1.68 0.88 117.51 125.07 2cg4 h ILE 39 Ca 0.01 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2cg4 h ILE 39 Cb 0.81 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2cg4 h ILE 39 CO 0.05 0.03 0.58 -0.74 0.00 0.00 0.00 178.15 178.07 2cg4 h HIS 40 N 0.14 1.01 0.16 1.37 2.76 -1.41 -2.49 115.15 116.69 2cg4 h HIS 40 Ca 0.39 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 58.28 2cg4 h HIS 40 Cb 0.68 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.32 2cg4 h HIS 40 CO -0.37 0.51 -1.51 0.28 -1.30 0.00 0.00 177.93 175.54 2cg4 h VAL 41 N 0.98 1.06 -0.31 5.26 2.07 -0.21 -2.64 116.25 122.45 2cg4 h VAL 41 Ca 0.39 -2.49 0.07 0.00 0.82 0.00 0.00 66.70 65.49 2cg4 h VAL 41 Cb 0.26 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.76 2cg4 h VAL 41 CO -0.15 0.78 -0.34 0.03 0.02 0.00 0.00 177.57 177.91 2cg4 h ARG 42 N -0.09 -0.30 -0.99 1.57 2.47 0.60 0.81 114.38 118.45 2cg4 h ARG 42 Ca -0.30 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2cg4 h ARG 42 Cb 1.94 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 30.24 2cg4 h ARG 42 CO 0.14 -0.20 0.62 0.28 0.56 0.00 0.00 179.97 181.37 2cg4 h VAL 43 N -0.31 0.86 -0.05 2.04 2.07 -1.50 -1.67 116.25 117.68 2cg4 h VAL 43 Ca 0.14 -0.31 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 2cg4 h VAL 43 Cb 0.55 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2cg4 h VAL 43 CO -0.48 0.16 -0.79 -0.08 0.02 0.00 0.00 177.57 176.41 2cg4 h GLU 44 N 0.89 0.36 -0.16 1.57 4.22 -0.91 -1.46 114.58 119.09 2cg4 h GLU 44 Ca 0.51 -0.32 -0.02 0.00 0.08 0.00 0.00 59.36 59.61 2cg4 h GLU 44 Cb 0.63 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2cg4 h GLU 44 CO -0.28 0.98 0.03 0.87 -2.18 0.00 0.00 179.01 178.43 2cg4 h LYS 45 N 0.23 0.26 -0.21 1.92 1.57 -0.48 -2.51 116.57 117.35 2cg4 h LYS 45 Ca -0.04 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2cg4 h LYS 45 Cb 1.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2cg4 h LYS 45 CO 0.13 0.43 0.15 0.52 -0.57 0.00 0.00 179.45 180.11 2cg4 h MET 46 N 0.05 0.05 -0.12 3.15 2.86 -1.21 0.28 114.93 119.99 2cg4 h MET 46 Ca 0.05 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2cg4 h MET 46 Cb 0.29 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2cg4 h MET 46 CO 0.00 0.03 -0.04 0.87 1.06 0.00 0.00 176.91 178.83 2cg4 h LYS 47 N 0.05 0.24 -0.14 1.72 1.57 -1.10 -0.06 116.57 118.85 2cg4 h LYS 47 Ca 0.10 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2cg4 h LYS 47 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2cg4 h LYS 47 CO -0.01 0.56 -0.41 1.96 -0.57 0.00 0.00 179.45 180.99 2cg4 h GLN 48 N -0.09 0.31 -0.22 3.15 4.20 -0.97 -1.81 115.11 119.69 2cg4 h GLN 48 Ca 0.03 -0.15 0.06 0.00 0.06 0.00 0.00 58.65 58.65 2cg4 h GLN 48 Cb 0.48 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2cg4 h GLN 48 CO 0.01 0.68 0.17 0.00 -0.67 0.00 0.00 178.83 179.02 2cg4 h ALA 49 N 1.31 2.12 0.00 3.87 0.00 -0.50 -3.46 119.26 122.61 2cg4 h ALA 49 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cg4 h ALA 49 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2cg4 h ALA 49 CO 0.07 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2cg4 n GLY 50 N -1.54 0.76 0.19 0.00 0.00 -0.68 -4.97 105.19 98.95 2cg4 n GLY 50 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2cg4 n GLY 50 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cg4 h ILE 51 N 0.00 0.59 -3.36 -0.61 2.04 -1.25 -3.40 117.51 111.51 2cg4 h ILE 51 Ca 0.00 -0.78 -0.60 0.00 1.00 0.00 0.00 64.86 64.48 2cg4 h ILE 51 Cb 0.00 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 2cg4 h ILE 51 CO 0.00 0.13 0.49 -0.63 0.00 0.00 0.00 178.15 178.14 2cg4 s ILE 52 N -3.96 4.76 -0.63 -0.67 1.01 -0.91 -4.94 121.20 115.87 2cg4 s ILE 52 Ca -0.13 1.39 0.22 0.00 0.00 0.00 0.00 60.65 62.13 2cg4 s ILE 52 Cb 0.01 -4.18 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 2cg4 s ILE 52 CO 0.46 -0.23 0.80 0.35 0.00 0.00 0.00 174.94 176.32 2cg4 n THR 53 N 5.49 0.03 0.00 2.92 -2.24 -1.26 -4.36 114.28 114.86 2cg4 n THR 53 Ca 0.06 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2cg4 n THR 53 Cb 0.48 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2cg4 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cg4 n GLY 54 N 1.40 2.60 3.45 3.38 0.00 -1.26 -5.11 105.19 109.65 2cg4 n GLY 54 Ca 0.01 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2cg4 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cg4 s ALA 55 N -2.00 2.87 0.02 4.61 0.00 -1.26 -5.12 121.76 120.88 2cg4 s ALA 55 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2cg4 s ALA 55 Cb 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2cg4 s ALA 55 CO 0.00 0.20 0.24 1.03 0.00 0.00 0.00 175.76 177.23 2cg4 s ARG 56 N 0.40 0.69 0.23 0.00 0.52 -1.26 -5.14 118.95 114.40 2cg4 s ARG 56 Ca -0.06 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 2cg4 s ARG 56 Cb -0.15 0.29 -0.09 0.00 0.52 0.00 0.00 34.95 35.53 2cg4 s ARG 56 CO 0.04 -0.20 1.18 0.96 0.02 0.00 0.00 175.30 177.30 2cg4 s ILE 57 N -2.12 3.43 0.07 1.52 -4.36 -1.26 -5.02 121.20 113.45 2cg4 s ILE 57 Ca -0.08 1.30 -0.23 0.00 -0.26 0.00 0.00 60.65 61.37 2cg4 s ILE 57 Cb -0.03 -3.83 -0.06 0.00 1.25 0.00 0.00 42.46 39.79 2cg4 s ILE 57 CO -0.01 0.25 0.71 -1.81 0.24 0.00 0.00 174.94 174.32 2cg4 s ASP 58 N -0.26 7.19 0.29 4.36 -0.00 -1.26 -5.09 116.67 121.90 2cg4 s ASP 58 Ca 0.50 1.41 0.10 0.00 -0.00 0.00 0.00 52.55 54.56 2cg4 s ASP 58 Cb -0.33 -2.44 -0.05 0.00 -0.00 0.00 0.00 42.92 40.10 2cg4 s ASP 58 CO 0.40 0.12 -0.06 -0.69 -0.00 0.00 0.00 175.17 174.94 2cg4 s VAL 59 N -0.49 2.96 -0.29 -1.27 1.01 -1.26 -5.12 120.40 115.94 2cg4 s VAL 59 Ca 0.35 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 60.26 2cg4 s VAL 59 Cb -0.21 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.57 2cg4 s VAL 59 CO 0.22 -0.34 -0.04 -0.55 0.00 0.00 0.00 175.10 174.39 2cg4 s SER 60 N -3.64 4.69 0.38 3.32 0.15 -1.26 -4.99 113.70 112.36 2cg4 s SER 60 Ca 0.32 -1.45 0.08 0.00 0.70 0.00 0.00 55.95 55.60 2cg4 s SER 60 Cb -0.04 -1.64 0.76 0.00 -1.71 0.00 0.00 66.02 63.39 2cg4 s SER 60 CO 0.18 -0.25 1.93 -0.65 1.20 0.00 0.00 173.24 175.65 2cg4 h PRO 61 N 7.86 0.33 -0.36 5.44 0.11 -1.97 -2.37 132.00 141.03 2cg4 h PRO 61 Ca -0.18 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 2cg4 h PRO 61 Cb 1.05 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2cg4 h PRO 61 CO 0.51 0.40 0.12 -0.22 -0.21 0.00 0.00 178.00 178.60 2cg4 h LYS 62 N 0.32 0.56 0.00 1.05 3.64 -1.95 0.05 116.57 120.25 2cg4 h LYS 62 Ca 0.07 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2cg4 h LYS 62 Cb 0.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2cg4 h LYS 62 CO 0.01 0.57 0.00 1.04 -2.27 0.00 0.00 179.45 178.80 2cg4 n GLN 63 N -4.65 0.18 -0.12 1.90 3.00 -0.93 -0.58 117.38 116.18 2cg4 n GLN 63 Ca -0.01 0.11 0.12 0.00 -0.01 0.00 0.00 57.00 57.21 2cg4 n GLN 63 Cb 0.17 -1.50 0.26 0.00 0.00 0.00 0.00 30.24 29.16 2cg4 n GLN 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2cg4 n LEU 64 N -1.37 2.79 0.00 1.08 4.77 -0.70 -4.96 117.00 118.61 2cg4 n LEU 64 Ca 0.08 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 2cg4 n LEU 64 Cb 0.19 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2cg4 n LEU 64 CO 0.17 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2cg4 n GLY 65 N 1.36 0.78 3.47 -0.72 0.00 0.25 -5.01 105.19 105.32 2cg4 n GLY 65 Ca 0.18 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 2cg4 n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cg4 s TYR 66 N -2.00 3.20 -0.25 1.61 1.51 -0.08 -4.37 117.35 116.97 2cg4 s TYR 66 Ca 0.00 -1.63 0.20 0.00 -1.01 0.00 0.00 57.07 54.63 2cg4 s TYR 66 Cb 0.00 -4.34 0.07 0.00 -0.11 0.00 0.00 41.96 37.58 2cg4 s TYR 66 CO 0.00 -1.50 1.23 -0.44 -1.11 0.00 0.00 175.55 173.73 2cg4 h ASP 67 N 8.24 0.00 -4.35 2.29 3.32 -1.48 -3.38 116.42 121.06 2cg4 h ASP 67 Ca 0.23 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.64 2cg4 h ASP 67 Cb 0.96 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.11 2cg4 h ASP 67 CO 1.19 0.23 -0.62 -0.69 -1.72 0.00 0.00 179.24 177.64 2cg4 s VAL 68 N -3.15 2.64 0.31 -1.35 1.01 -0.92 -5.00 120.40 113.94 2cg4 s VAL 68 Ca 0.02 -3.29 -0.09 0.00 0.00 0.00 0.00 61.98 58.62 2cg4 s VAL 68 Cb 0.08 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2cg4 s VAL 68 CO 0.75 -0.80 0.63 -0.83 0.00 0.00 0.00 175.10 174.85 2cg4 s GLY 69 N -0.22 2.05 0.12 4.51 0.00 -1.26 -0.82 107.32 111.70 2cg4 s GLY 69 Ca 0.17 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.42 2cg4 s GLY 69 CO -0.00 -0.17 0.38 0.00 0.00 0.00 0.00 173.10 173.31 2cg4 s PHE 71 N -3.81 3.33 -0.09 0.00 0.40 -0.99 -1.21 117.98 115.62 2cg4 s PHE 71 Ca 0.03 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 2cg4 s PHE 71 Cb 0.02 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.75 2cg4 s PHE 71 CO -0.12 0.57 -0.17 0.42 0.70 0.00 0.00 175.22 176.63 2cg4 s ILE 72 N -1.05 1.56 -0.18 0.64 1.01 0.65 0.10 121.20 123.93 2cg4 s ILE 72 Ca 0.18 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 2cg4 s ILE 72 Cb -0.12 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2cg4 s ILE 72 CO 0.07 0.45 0.48 -0.83 0.00 0.00 0.00 174.94 175.12 2cg4 s GLY 73 N 0.64 2.15 -0.22 6.18 0.00 0.26 -1.00 107.32 115.33 2cg4 s GLY 73 Ca -0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 2cg4 s GLY 73 CO 0.04 0.95 0.13 -0.42 0.00 0.00 0.00 173.10 173.80 2cg4 s ILE 74 N 1.33 5.24 -0.22 0.90 1.09 0.14 -1.34 121.20 128.34 2cg4 s ILE 74 Ca 0.24 0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.85 2cg4 s ILE 74 Cb -0.15 -3.41 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 2cg4 s ILE 74 CO 0.09 0.40 0.06 -0.63 -0.10 0.00 0.00 174.94 174.76 2cg4 s ILE 75 N 0.70 4.44 0.33 2.92 1.09 -0.04 -0.79 121.20 129.84 2cg4 s ILE 75 Ca 0.07 -0.14 0.02 0.00 -1.10 0.00 0.00 60.65 59.50 2cg4 s ILE 75 Cb -0.12 -3.04 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2cg4 s ILE 75 CO 0.01 0.39 0.51 -0.76 -0.10 0.00 0.00 174.94 174.99 2cg4 s LEU 76 N 1.06 4.05 0.29 2.97 1.43 -1.26 -0.51 118.68 126.71 2cg4 s LEU 76 Ca 0.04 0.29 0.13 0.00 -1.03 0.00 0.00 54.13 53.56 2cg4 s LEU 76 Cb -0.14 -3.14 0.38 0.00 0.03 0.00 0.00 46.19 43.32 2cg4 s LEU 76 CO 0.03 -0.29 1.61 0.11 0.23 0.00 0.00 176.35 178.04 2cg4 h LYS 77 N 0.83 0.00 -2.54 1.70 1.57 -1.65 -3.43 116.57 113.06 2cg4 h LYS 77 Ca -0.50 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 2cg4 h LYS 77 Cb 1.23 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.34 2cg4 h LYS 77 CO 0.60 0.58 -0.05 -1.54 -0.57 0.00 0.00 179.45 178.47 2cg4 s SER 78 N -6.70 -0.42 0.23 0.86 1.04 -1.26 -5.06 113.70 102.38 2cg4 s SER 78 Ca -0.00 0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.93 2cg4 s SER 78 Cb 0.12 0.44 0.19 0.00 0.10 0.00 0.00 66.02 66.86 2cg4 s SER 78 CO 0.75 -0.51 1.51 0.00 0.98 0.00 0.00 173.24 175.96 2cg4 h ALA 79 N 3.51 0.79 0.00 5.32 0.00 -1.99 -2.34 119.26 124.55 2cg4 h ALA 79 Ca -0.28 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2cg4 h ALA 79 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2cg4 h ALA 79 CO 0.39 0.90 0.00 0.36 0.00 0.00 0.00 179.25 180.90 2cg4 n LYS 80 N -3.68 0.00 0.00 0.00 2.85 -1.26 -2.54 118.16 113.53 2cg4 n LYS 80 Ca -0.01 0.38 0.14 0.00 -1.05 0.00 0.00 58.31 57.77 2cg4 n LYS 80 Cb 0.71 -1.50 0.56 0.00 -0.65 0.00 0.00 35.03 34.15 2cg4 n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2cg4 n ASP 81 N -1.38 0.45 -0.02 -5.58 8.00 -0.88 -4.35 116.55 112.79 2cg4 n ASP 81 Ca 0.00 -0.45 -0.09 0.00 0.71 0.00 0.00 54.79 54.96 2cg4 n ASP 81 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2cg4 n ASP 81 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2cg4 h TYR 82 N 0.49 -0.59 -0.94 1.24 3.20 -1.72 -1.82 116.97 116.82 2cg4 h TYR 82 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.02 2cg4 h TYR 82 Cb 0.39 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 2cg4 h TYR 82 CO 0.00 -0.30 0.60 -1.35 -1.64 0.00 0.00 178.16 175.47 2cg4 h PRO 83 N -0.26 0.86 0.16 1.82 0.11 -1.88 0.23 132.00 133.03 2cg4 h PRO 83 Ca 0.11 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 2cg4 h PRO 83 Cb 0.43 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.36 2cg4 h PRO 83 CO -0.32 0.57 -1.30 0.66 -0.21 0.00 0.00 178.00 177.40 2cg4 h SER 84 N 0.89 0.53 -0.61 -2.05 4.64 -1.80 -2.42 113.55 112.72 2cg4 h SER 84 Ca 0.46 -0.91 0.11 0.00 -0.47 0.00 0.00 61.79 60.97 2cg4 h SER 84 Cb 0.52 -0.17 -0.12 0.00 -0.31 0.00 0.00 62.40 62.32 2cg4 h SER 84 CO -0.22 1.60 -0.34 0.00 -0.87 0.00 0.00 176.83 176.99 2cg4 h ALA 85 N 0.05 -0.05 -0.65 5.18 0.00 -1.28 -1.80 119.26 120.70 2cg4 h ALA 85 Ca -0.25 0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2cg4 h ALA 85 Cb 1.85 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 20.39 2cg4 h ALA 85 CO 0.15 -0.69 0.31 1.25 0.00 0.00 0.00 179.25 180.27 2cg4 h LEU 86 N -0.16 0.41 -1.09 0.00 5.85 -0.99 -0.97 115.31 118.37 2cg4 h LEU 86 Ca 0.23 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.02 2cg4 h LEU 86 Cb 0.55 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2cg4 h LEU 86 CO -0.70 0.25 0.60 0.00 -0.34 0.00 0.00 178.44 178.25 2cg4 h ALA 87 N 1.39 1.34 -0.40 1.25 0.00 -0.93 -1.09 119.26 120.81 2cg4 h ALA 87 Ca 0.31 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2cg4 h ALA 87 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2cg4 h ALA 87 CO -0.25 0.61 -0.29 0.87 0.00 0.00 0.00 179.25 180.20 2cg4 h LYS 88 N 1.24 0.85 -0.50 0.00 1.79 -0.89 -3.27 116.57 115.79 2cg4 h LYS 88 Ca 0.33 -0.39 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 2cg4 h LYS 88 Cb -0.13 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 2cg4 h LYS 88 CO -0.07 1.03 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.11 2cg4 h LEU 89 N 0.72 0.97 -1.55 2.94 3.38 -0.58 -3.18 115.31 118.01 2cg4 h LEU 89 Ca 0.08 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2cg4 h LEU 89 Cb 0.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2cg4 h LEU 89 CO 0.07 1.10 -0.20 1.05 0.09 0.00 0.00 178.44 180.56 2cg4 h GLU 90 N 0.85 0.00 0.00 1.13 -0.00 -1.27 -0.14 114.58 115.15 2cg4 h GLU 90 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 2cg4 h GLU 90 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 2cg4 h GLU 90 CO 0.05 0.20 0.00 0.43 -0.00 0.00 0.00 179.01 179.69 2cg4 n SER 91 N -3.64 0.00 -4.71 3.06 7.64 -1.20 -4.72 113.62 110.05 2cg4 n SER 91 Ca -0.01 0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.91 2cg4 n SER 91 Cb 0.33 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2cg4 n SER 91 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2cg4 s LEU 92 N -2.85 4.19 0.46 -3.43 1.43 -0.07 -4.98 118.68 113.43 2cg4 s LEU 92 Ca 0.04 0.20 0.25 0.00 -1.03 0.00 0.00 54.13 53.60 2cg4 s LEU 92 Cb 0.04 -2.10 0.66 0.00 0.03 0.00 0.00 46.19 44.83 2cg4 s LEU 92 CO 0.11 0.15 1.72 0.44 0.23 0.00 0.00 176.35 179.00 2cg4 h ASP 93 N 6.89 0.00 1.56 2.29 3.32 -1.86 -3.05 116.42 125.56 2cg4 h ASP 93 Ca -0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 2cg4 h ASP 93 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2cg4 h ASP 93 CO 0.73 0.07 -0.17 1.05 -1.72 0.00 0.00 179.24 179.20 2cg4 h GLU 94 N 0.00 0.00 -6.40 3.56 9.09 -1.94 -3.40 114.58 115.49 2cg4 h GLU 94 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.84 2cg4 h GLU 94 Cb 0.87 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.89 2cg4 h GLU 94 CO 0.01 0.17 0.89 0.08 0.05 0.00 0.00 179.01 180.21 2cg4 s VAL 95 N -3.28 4.08 -0.37 -1.06 1.01 -1.15 -0.74 120.40 118.88 2cg4 s VAL 95 Ca 0.04 0.73 0.23 0.00 0.00 0.00 0.00 61.98 62.98 2cg4 s VAL 95 Cb 0.07 -4.70 -0.13 0.00 0.00 0.00 0.00 36.38 31.62 2cg4 s VAL 95 CO 0.67 -1.33 0.91 0.35 0.00 0.00 0.00 175.10 175.70 2cg4 n THR 96 N 6.55 0.27 -3.68 3.92 -2.24 -0.65 -4.91 114.28 113.54 2cg4 n THR 96 Ca 0.07 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 2cg4 n THR 96 Cb 0.49 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 2cg4 n THR 96 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cg4 s GLU 97 N -3.32 0.96 -0.12 -0.78 2.02 -1.23 -4.98 118.70 111.26 2cg4 s GLU 97 Ca -0.00 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.13 2cg4 s GLU 97 Cb 0.13 0.42 0.07 0.00 0.10 0.00 0.00 34.13 34.85 2cg4 s GLU 97 CO 0.82 -0.35 0.67 0.00 0.02 0.00 0.00 175.26 176.43 2cg4 s ALA 98 N -3.17 -1.72 0.00 5.21 0.00 -1.26 -2.13 121.76 118.69 2cg4 s ALA 98 Ca -0.01 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 2cg4 s ALA 98 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2cg4 s ALA 98 CO -0.07 -0.35 0.02 0.71 0.00 0.00 0.00 175.76 176.06 2cg4 s TYR 99 N -0.70 0.11 -0.43 0.00 1.51 0.12 -4.98 117.35 112.99 2cg4 s TYR 99 Ca -0.08 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.63 2cg4 s TYR 99 Cb -0.02 -0.09 0.06 0.00 -0.11 0.00 0.00 41.96 41.80 2cg4 s TYR 99 CO 0.07 -0.14 0.30 -0.47 -1.11 0.00 0.00 175.55 174.20 2cg4 s TYR 100 N -0.88 3.28 0.48 2.71 5.04 -1.26 -1.33 117.35 125.39 2cg4 s TYR 100 Ca -0.10 -1.14 0.05 0.00 -2.44 0.00 0.00 57.07 53.44 2cg4 s TYR 100 Cb -0.06 -2.90 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 2cg4 s TYR 100 CO -0.00 -0.77 0.16 0.95 -1.34 0.00 0.00 175.55 174.54 2cg4 s THR 101 N 1.54 1.69 0.69 4.34 -4.23 -1.26 -5.05 115.64 113.37 2cg4 s THR 101 Ca 0.03 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2cg4 s THR 101 Cb -0.22 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.16 2cg4 s THR 101 CO 0.05 0.00 1.06 0.42 -0.54 0.00 0.00 174.62 175.61 2cg4 s THR 102 N -2.76 3.22 0.00 3.99 -4.23 -1.26 -4.88 115.64 109.72 2cg4 s THR 102 Ca 0.26 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2cg4 s THR 102 Cb 0.02 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2cg4 s THR 102 CO 0.15 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 2cg4 n GLY 103 N -2.95 -0.99 0.16 3.99 0.00 -1.26 -4.66 105.19 99.47 2cg4 n GLY 103 Ca 0.07 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 2cg4 n GLY 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2cg4 h HIS 104 N 0.00 0.46 -3.34 1.61 3.86 -2.01 -3.46 115.15 112.28 2cg4 h HIS 104 Ca 0.00 -0.23 -0.55 0.00 -1.16 0.00 0.00 60.37 58.43 2cg4 h HIS 104 Cb 0.00 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 2cg4 h HIS 104 CO 0.00 1.00 -0.13 0.71 0.86 0.00 0.00 177.93 180.36 2cg4 s TYR 105 N -3.45 3.51 -0.04 2.45 4.12 -1.26 -4.96 117.35 117.71 2cg4 s TYR 105 Ca -0.05 0.91 -0.26 0.00 0.02 0.00 0.00 57.07 57.69 2cg4 s TYR 105 Cb 0.10 -2.27 -0.21 0.00 -1.52 0.00 0.00 41.96 38.06 2cg4 s TYR 105 CO 0.84 0.37 1.16 0.77 0.02 0.00 0.00 175.55 178.71 2cg4 h SER 106 N 3.07 0.02 -4.31 2.29 0.02 -1.30 -3.43 113.55 109.90 2cg4 h SER 106 Ca -0.48 -0.60 -0.55 0.00 -0.84 0.00 0.00 61.79 59.33 2cg4 h SER 106 Cb 1.18 -0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 2cg4 h SER 106 CO 0.68 0.61 -0.83 -0.63 -1.14 0.00 0.00 176.83 175.52 2cg4 s ILE 107 N -3.81 1.47 -0.15 3.27 1.01 -1.10 -4.39 121.20 117.49 2cg4 s ILE 107 Ca -0.16 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2cg4 s ILE 107 Cb 0.01 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.24 2cg4 s ILE 107 CO 0.68 0.25 -0.18 0.12 0.00 0.00 0.00 174.94 175.81 2cg4 s PHE 108 N -0.65 2.48 0.12 3.97 5.36 -0.44 0.26 117.98 129.08 2cg4 s PHE 108 Ca 0.06 -1.37 0.06 0.00 -0.96 0.00 0.00 56.93 54.73 2cg4 s PHE 108 Cb -0.08 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 2cg4 s PHE 108 CO 0.01 -0.68 -0.15 0.96 -1.46 0.00 0.00 175.22 173.89 2cg4 s ILE 109 N 1.19 1.37 -0.18 3.12 -4.36 -0.17 0.11 121.20 122.28 2cg4 s ILE 109 Ca 0.01 -1.66 -0.08 0.00 -0.26 0.00 0.00 60.65 58.65 2cg4 s ILE 109 Cb -0.14 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 2cg4 s ILE 109 CO -0.08 -0.35 0.09 -0.75 0.24 0.00 0.00 174.94 174.08 2cg4 s LYS 110 N -2.49 4.00 -0.02 0.37 2.20 -0.91 -0.25 119.74 122.63 2cg4 s LYS 110 Ca 0.08 -0.28 0.08 0.00 -0.36 0.00 0.00 55.97 55.48 2cg4 s LYS 110 Cb -0.06 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 2cg4 s LYS 110 CO 0.03 0.33 -0.25 0.14 -0.36 0.00 0.00 175.35 175.24 2cg4 s VAL 111 N 0.23 1.98 -0.24 4.02 -7.23 -0.35 -1.64 120.40 117.19 2cg4 s VAL 111 Ca 0.06 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2cg4 s VAL 111 Cb -0.12 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 2cg4 s VAL 111 CO -0.00 0.56 -0.02 -0.04 -0.31 0.00 0.00 175.10 175.28 2cg4 s MET 112 N -0.54 3.29 0.16 4.82 -1.94 0.08 -0.91 119.30 124.26 2cg4 s MET 112 Ca 0.08 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.43 2cg4 s MET 112 Cb -0.10 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.62 2cg4 s MET 112 CO -0.00 -0.25 -0.12 0.00 -0.01 0.00 0.00 175.02 174.63 2cg4 h ARG 114 N 2.75 0.49 -3.95 0.00 3.08 -1.80 -2.42 114.38 112.53 2cg4 h ARG 114 Ca -0.37 -0.84 -0.12 0.00 0.07 0.00 0.00 59.98 58.72 2cg4 h ARG 114 Cb 1.20 0.31 -0.12 0.00 0.08 0.00 0.00 29.97 31.44 2cg4 h ARG 114 CO 0.62 1.40 -0.33 -1.54 -1.07 0.00 0.00 179.97 179.06 2cg4 s SER 115 N -7.50 0.04 0.53 7.04 1.04 -1.26 -3.17 113.70 110.42 2cg4 s SER 115 Ca -0.09 -0.97 0.31 0.00 0.48 0.00 0.00 55.95 55.68 2cg4 s SER 115 Cb 0.05 0.46 1.42 0.00 0.10 0.00 0.00 66.02 68.05 2cg4 s SER 115 CO 0.93 -0.94 2.02 0.16 0.98 0.00 0.00 173.24 176.40 2cg4 h ILE 116 N 2.50 0.29 -0.12 -1.02 3.07 -1.94 0.30 117.51 120.59 2cg4 h ILE 116 Ca -0.31 -0.60 -0.03 0.00 1.55 0.00 0.00 64.86 65.47 2cg4 h ILE 116 Cb 1.24 1.46 -0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2cg4 h ILE 116 CO 0.46 0.08 -0.04 -0.78 -1.05 0.00 0.00 178.15 176.83 2cg4 h ASP 117 N 0.00 0.23 -0.13 2.16 3.58 -1.99 -1.57 116.42 118.70 2cg4 h ASP 117 Ca -0.00 -0.38 0.05 0.00 0.42 0.00 0.00 57.03 57.11 2cg4 h ASP 117 Cb 0.45 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 2cg4 h ASP 117 CO 0.01 0.56 -0.20 0.00 -2.88 0.00 0.00 179.24 176.74 2cg4 h ALA 118 N 0.68 -0.14 -0.97 -0.78 0.00 -1.87 -2.47 119.26 113.70 2cg4 h ALA 118 Ca 0.03 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2cg4 h ALA 118 Cb 0.47 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2cg4 h ALA 118 CO 0.01 -0.65 0.60 1.25 0.00 0.00 0.00 179.25 180.47 2cg4 h LEU 119 N -0.25 0.90 -0.78 0.00 5.85 -0.93 -1.52 115.31 118.57 2cg4 h LEU 119 Ca 0.10 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2cg4 h LEU 119 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2cg4 h LEU 119 CO -0.28 0.50 0.33 -0.61 -0.34 0.00 0.00 178.44 178.04 2cg4 h GLN 120 N 0.99 1.16 -0.30 1.25 -0.00 -1.15 -1.36 115.11 115.71 2cg4 h GLN 120 Ca 0.47 -0.20 -0.05 0.00 -0.00 0.00 0.00 58.65 58.86 2cg4 h GLN 120 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2cg4 h GLN 120 CO -0.25 0.93 -0.03 1.25 0.00 0.00 0.00 178.83 180.74 2cg4 h HIS 121 N 1.13 0.59 0.69 3.99 2.76 -0.87 -2.44 115.15 121.00 2cg4 h HIS 121 Ca 0.26 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2cg4 h HIS 121 Cb 0.20 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.01 2cg4 h HIS 121 CO 0.02 0.70 -0.33 0.28 -1.30 0.00 0.00 177.93 177.30 2cg4 h VAL 122 N 0.32 0.32 -0.68 5.26 2.07 -1.23 -0.02 116.25 122.28 2cg4 h VAL 122 Ca 0.08 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.66 2cg4 h VAL 122 Cb 0.48 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 2cg4 h VAL 122 CO 0.02 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.09 2cg4 h LEU 123 N -0.94 -1.58 -0.11 2.57 3.38 -1.30 0.15 115.31 117.48 2cg4 h LEU 123 Ca -0.09 0.26 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2cg4 h LEU 123 Cb 0.71 0.73 0.01 0.00 0.09 0.00 0.00 40.66 42.20 2cg4 h LEU 123 CO 0.15 -0.32 -0.48 0.40 0.09 0.00 0.00 178.44 178.29 2cg4 h ILE 124 N -0.18 1.37 0.00 1.22 2.04 -1.43 0.57 117.51 121.10 2cg4 h ILE 124 Ca 0.20 -1.79 -0.13 0.00 1.00 0.00 0.00 64.86 64.13 2cg4 h ILE 124 Cb 0.55 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2cg4 h ILE 124 CO -0.76 0.54 -2.10 0.59 0.00 0.00 0.00 178.15 176.43 2cg4 n ASN 125 N -4.25 0.20 -0.06 1.72 3.02 -0.03 -3.68 115.26 112.19 2cg4 n ASN 125 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 2cg4 n ASN 125 Cb 0.59 1.60 -0.05 0.00 -0.61 0.00 0.00 39.78 41.31 2cg4 n ASN 125 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2cg4 n LYS 126 N -2.41 0.26 -0.07 3.52 5.02 0.36 -4.60 118.16 120.24 2cg4 n LYS 126 Ca -0.14 0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 2cg4 n LYS 126 Cb 0.76 -1.09 -0.12 0.00 -0.02 0.00 0.00 35.03 34.56 2cg4 n LYS 126 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2cg4 h ILE 127 N -0.18 1.01 0.00 -0.18 2.04 -1.04 -3.37 117.51 115.80 2cg4 h ILE 127 Ca -0.27 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.34 2cg4 h ILE 127 Cb 1.33 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2cg4 h ILE 127 CO -0.10 0.48 0.00 -0.61 0.00 0.00 0.00 178.15 177.92 2cg4 h GLN 128 N -0.76 0.00 0.00 2.37 4.15 -0.01 -2.29 115.11 118.57 2cg4 h GLN 128 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 2cg4 h GLN 128 Cb 1.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.12 2cg4 h GLN 128 CO -0.10 0.00 0.00 1.79 -1.93 0.00 0.00 178.83 178.59 2cg4 h THR 129 N 0.00 0.00 -2.31 2.39 1.35 -1.74 -3.44 112.91 109.15 2cg4 h THR 129 Ca 0.00 -0.77 -0.54 0.00 -0.55 0.00 0.00 66.41 64.55 2cg4 h THR 129 Cb 0.73 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2cg4 h THR 129 CO 0.00 0.00 1.28 -0.63 -0.25 0.00 0.00 175.52 175.92 2cg4 s ILE 130 N -3.22 3.03 0.22 6.82 1.01 -0.86 -4.86 121.20 123.34 2cg4 s ILE 130 Ca 0.08 0.04 0.15 0.00 0.00 0.00 0.00 60.65 60.91 2cg4 s ILE 130 Cb 0.08 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.58 2cg4 s ILE 130 CO 0.63 -0.01 1.67 -0.78 0.00 0.00 0.00 174.94 176.45 2cg4 h ASP 131 N 11.37 0.00 0.29 3.58 3.58 -1.88 -1.88 116.42 131.48 2cg4 h ASP 131 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2cg4 h ASP 131 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2cg4 h ASP 131 CO 0.94 0.49 0.00 -0.62 -2.88 0.00 0.00 179.24 177.18 2cg4 n GLU 132 N -3.66 0.10 -3.45 0.28 4.71 -1.26 -4.81 120.64 112.54 2cg4 n GLU 132 Ca -0.01 0.23 -0.38 0.00 -0.01 0.00 0.00 57.16 56.99 2cg4 n GLU 132 Cb 0.56 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.41 2cg4 n GLU 132 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2cg4 s ILE 133 N -2.75 5.24 -0.20 -3.67 1.01 -0.71 -1.70 121.20 118.41 2cg4 s ILE 133 Ca 0.09 0.58 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 2cg4 s ILE 133 Cb 0.08 -3.67 -0.20 0.00 0.01 0.00 0.00 42.46 38.68 2cg4 s ILE 133 CO 0.19 0.27 0.13 1.67 0.00 0.00 0.00 174.94 177.21 2cg4 n GLN 134 N 4.43 0.62 -3.87 2.79 7.27 0.34 -4.84 117.38 124.11 2cg4 n GLN 134 Ca -0.10 0.42 -0.10 0.00 0.07 0.00 0.00 57.00 57.29 2cg4 n GLN 134 Cb 0.51 -1.68 -0.08 0.00 2.41 0.00 0.00 30.24 31.40 2cg4 n GLN 134 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2cg4 s SER 135 N -6.99 0.10 0.21 1.69 1.04 -0.85 -5.03 113.70 103.87 2cg4 s SER 135 Ca -0.29 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 55.74 2cg4 s SER 135 Cb 0.08 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2cg4 s SER 135 CO 0.62 -0.59 -0.11 0.42 0.98 0.00 0.00 173.24 174.56 2cg4 s THR 136 N -2.94 3.06 -0.17 2.02 -4.23 -1.26 -0.86 115.64 111.26 2cg4 s THR 136 Ca -0.02 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2cg4 s THR 136 Cb 0.01 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.35 2cg4 s THR 136 CO -0.06 -0.20 0.04 -1.61 -0.54 0.00 0.00 174.62 172.25 2cg4 s GLU 137 N -3.07 0.51 -0.16 3.99 2.02 -0.45 -4.97 118.70 116.57 2cg4 s GLU 137 Ca 0.26 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.92 2cg4 s GLU 137 Cb -0.08 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 2cg4 s GLU 137 CO 0.15 -0.60 0.04 0.95 0.02 0.00 0.00 175.26 175.82 2cg4 s THR 138 N 1.94 4.56 -0.50 3.63 -4.23 -1.26 -0.58 115.64 119.19 2cg4 s THR 138 Ca 0.01 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.26 2cg4 s THR 138 Cb -0.16 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.77 2cg4 s THR 138 CO -0.08 0.49 0.42 -0.76 -0.54 0.00 0.00 174.62 174.16 2cg4 s LEU 139 N 0.17 5.92 0.06 4.79 1.02 0.28 -4.97 118.68 125.95 2cg4 s LEU 139 Ca 0.03 -1.80 -0.30 0.00 0.02 0.00 0.00 54.13 52.07 2cg4 s LEU 139 Cb -0.13 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 2cg4 s LEU 139 CO 0.01 -0.77 1.16 -0.63 0.02 0.00 0.00 176.35 176.14 2cg4 s ILE 140 N 1.50 4.16 -0.09 -0.59 1.01 -1.26 -2.35 121.20 123.57 2cg4 s ILE 140 Ca 0.04 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 2cg4 s ILE 140 Cb -0.28 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2cg4 s ILE 140 CO 0.02 0.13 1.04 -0.69 0.00 0.00 0.00 174.94 175.44 2cg4 s VAL 141 N 0.95 4.70 -0.06 2.92 1.01 -0.62 -4.88 120.40 124.43 2cg4 s VAL 141 Ca 0.57 1.97 0.13 0.00 0.00 0.00 0.00 61.98 64.65 2cg4 s VAL 141 Cb -0.28 -4.27 -0.19 0.00 0.00 0.00 0.00 36.38 31.64 2cg4 s VAL 141 CO 0.29 0.02 0.21 0.18 0.00 0.00 0.00 175.10 175.80 2cg4 n LEU 142 N 4.93 0.00 -3.70 3.92 4.77 -1.26 -4.63 117.00 121.03 2cg4 n LEU 142 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2cg4 n LEU 142 Cb 0.48 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2cg4 n LEU 142 CO 0.53 0.11 0.20 -1.58 -1.33 0.00 0.00 177.39 175.32 2cg4 s GLN 143 N -2.72 0.60 -0.50 3.23 0.74 -1.26 -5.10 119.66 114.64 2cg4 s GLN 143 Ca -0.05 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.17 2cg4 s GLN 143 Cb 0.07 0.27 0.27 0.00 1.10 0.00 0.00 33.01 34.72 2cg4 s GLN 143 CO 0.55 -0.08 0.67 -1.71 -0.55 0.00 0.00 175.29 174.17 2cg4 n ASN 144 N 2.94 2.06 -0.13 6.67 5.15 -1.26 -5.01 115.26 125.68 2cg4 n ASN 144 Ca -0.14 -3.11 -0.08 0.00 -0.60 0.00 0.00 54.58 50.64 2cg4 n ASN 144 Cb 0.56 -0.64 0.07 0.00 -0.53 0.00 0.00 39.78 39.24 2cg4 n ASN 144 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2cg4 h PRO 145 N 3.88 0.89 -4.90 1.20 0.13 -2.05 -3.39 132.00 127.75 2cg4 h PRO 145 Ca 0.13 -0.33 -0.66 0.00 -0.87 0.00 0.00 66.00 64.27 2cg4 h PRO 145 Cb 0.77 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 31.61 2cg4 h PRO 145 CO 0.65 0.97 -0.62 0.42 -0.23 0.00 0.00 178.00 179.19 2cg4 s ILE 146 N -4.75 4.20 -0.12 -3.56 1.01 -1.26 -5.05 121.20 111.67 2cg4 s ILE 146 Ca -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2cg4 s ILE 146 Cb 0.13 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.62 2cg4 s ILE 146 CO 0.84 0.26 0.05 -0.04 0.00 0.00 0.00 174.94 176.05 2cg4 s MET 147 N 1.58 0.26 0.00 2.79 -1.94 -1.26 -5.13 119.30 115.60 2cg4 s MET 147 Ca 0.05 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 2cg4 s MET 147 Cb -0.16 -1.37 0.00 0.00 2.01 0.00 0.00 34.83 35.32 2cg4 s MET 147 CO 0.03 -0.50 0.00 2.89 -0.01 0.00 0.00 175.02 177.43 2cg4 n ARG 148 N 5.21 0.00 -4.16 2.03 1.85 -1.26 -5.19 116.66 115.15 2cg4 n ARG 148 Ca -0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.65 2cg4 n ARG 148 Cb 0.49 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.79 2cg4 n ARG 148 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2cg4 s THR 149 N -0.53 0.85 0.34 8.89 -1.32 -1.26 -5.12 115.64 117.48 2cg4 s THR 149 Ca 0.00 -1.56 -0.28 0.00 -1.21 0.00 0.00 61.69 58.64 2cg4 s THR 149 Cb 0.00 -1.26 -0.12 0.00 -1.51 0.00 0.00 72.50 69.61 2cg4 s THR 149 CO 0.00 -0.55 1.18 2.30 -2.21 0.00 0.00 174.62 175.34 2cg4 n ILE 150 N 0.67 2.07 -3.53 5.08 -5.35 -1.26 -4.98 119.36 112.07 2cg4 n ILE 150 Ca -0.17 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.40 2cg4 n ILE 150 Cb 0.57 -1.37 -0.06 0.00 -1.74 0.00 0.00 39.64 37.05 2cg4 n ILE 150 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2cg4 s LYS 151 N -1.82 3.13 0.00 6.28 3.01 -1.26 -5.14 119.74 123.94 2cg4 s LYS 151 Ca 0.57 -2.57 0.00 0.00 -1.01 0.00 0.00 55.97 52.97 2cg4 s LYS 151 Cb -0.60 -4.08 0.00 0.00 -1.01 0.00 0.00 37.83 32.13 2cg4 s LYS 151 CO 0.61 -1.23 0.45 -0.35 0.51 0.00 0.00 175.35 175.33