#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 4.22 0.04 2.98 2.34 -1.26 -5.08 118.68 121.93 2cg4 s LEU 5 Ca 0.00 1.16 0.09 0.00 0.06 0.00 0.00 54.13 55.43 2cg4 s LEU 5 Cb 0.00 -3.66 -0.03 0.00 -0.56 0.00 0.00 46.19 41.94 2cg4 s LEU 5 CO 0.00 -0.04 -0.24 0.27 -1.06 0.00 0.00 176.35 175.28 2cg4 s ILE 6 N -1.71 2.33 0.23 1.48 -4.36 -1.26 -5.13 121.20 112.77 2cg4 s ILE 6 Ca 0.46 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 2cg4 s ILE 6 Cb -0.13 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.68 2cg4 s ILE 6 CO 0.20 0.36 0.27 -0.90 0.24 0.00 0.00 174.94 175.10 2cg4 n ASP 7 N 1.71 1.12 0.13 4.36 5.68 -1.26 -4.95 116.55 123.34 2cg4 n ASP 7 Ca -0.17 -1.66 0.13 0.00 -0.50 0.00 0.00 54.79 52.59 2cg4 n ASP 7 Cb 0.52 -0.12 0.47 0.00 -1.14 0.00 0.00 41.12 40.85 2cg4 n ASP 7 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2cg4 h ASN 8 N 0.11 0.00 -0.11 -1.12 2.35 -2.01 -1.49 115.58 113.31 2cg4 h ASN 8 Ca -0.12 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.43 2cg4 h ASN 8 Cb 0.50 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.88 2cg4 h ASN 8 CO 0.18 0.00 -0.73 0.25 -1.65 0.00 0.00 177.43 175.48 2cg4 h LEU 9 N 0.00 0.83 -0.82 1.61 5.85 -1.99 -2.22 115.31 118.57 2cg4 h LEU 9 Ca 0.00 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 2cg4 h LEU 9 Cb 0.50 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2cg4 h LEU 9 CO 0.00 1.36 0.48 0.44 -0.34 0.00 0.00 178.44 180.38 2cg4 h ASP 10 N 0.37 1.00 -0.25 1.25 3.32 -1.67 -1.15 116.42 119.28 2cg4 h ASP 10 Ca -0.06 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 2cg4 h ASP 10 Cb 1.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2cg4 h ASP 10 CO 0.15 0.78 -0.08 0.03 -1.72 0.00 0.00 179.24 178.40 2cg4 h ARG 11 N 1.13 0.50 -0.74 3.56 3.08 -1.49 -1.94 114.38 118.48 2cg4 h ARG 11 Ca 0.29 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2cg4 h ARG 11 Cb -0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 2cg4 h ARG 11 CO -0.05 0.73 0.42 0.78 -1.07 0.00 0.00 179.97 180.78 2cg4 h GLY 12 N 0.24 1.11 0.93 0.04 0.00 -1.17 0.74 103.07 104.96 2cg4 h GLY 12 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2cg4 h GLY 12 CO 0.03 0.15 0.09 -2.22 0.00 0.00 0.00 176.54 174.59 2cg4 h ILE 13 N 0.74 1.12 0.15 2.60 2.04 -1.18 -2.75 117.51 120.23 2cg4 h ILE 13 Ca 0.34 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2cg4 h ILE 13 Cb 0.25 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2cg4 h ILE 13 CO -0.21 0.11 -0.07 -0.07 0.00 0.00 0.00 178.15 177.91 2cg4 h LEU 14 N 0.18 -0.17 -0.92 1.44 3.38 -0.55 -1.55 115.31 117.12 2cg4 h LEU 14 Ca 0.06 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.19 2cg4 h LEU 14 Cb 0.09 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 2cg4 h LEU 14 CO -0.01 -0.12 0.52 -0.08 0.09 0.00 0.00 178.44 178.84 2cg4 h GLU 15 N -0.21 0.72 -0.05 1.13 4.81 -0.91 0.65 114.58 120.72 2cg4 h GLU 15 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2cg4 h GLU 15 Cb 0.16 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2cg4 h GLU 15 CO 0.03 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2cg4 h ALA 16 N 1.57 0.07 -0.00 2.92 0.00 -1.17 -3.17 119.26 119.48 2cg4 h ALA 16 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cg4 h ALA 16 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2cg4 h ALA 16 CO -0.34 -0.26 -0.24 1.28 0.00 0.00 0.00 179.25 179.69 2cg4 n LEU 17 N -4.88 0.27 0.17 0.00 4.77 -0.61 -1.92 117.00 114.82 2cg4 n LEU 17 Ca -0.07 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2cg4 n LEU 17 Cb 0.18 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2cg4 n LEU 17 CO 0.34 0.07 0.52 0.24 -1.33 0.00 0.00 177.39 177.23 2cg4 h MET 18 N 0.06 0.00 0.14 3.23 2.86 -0.95 -3.20 114.93 117.08 2cg4 h MET 18 Ca 0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 2cg4 h MET 18 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2cg4 h MET 18 CO 0.00 0.04 -1.80 0.78 1.06 0.00 0.00 176.91 177.00 2cg4 h GLY 19 N 3.96 0.35 -6.60 8.32 0.00 -1.46 -3.46 103.07 104.17 2cg4 h GLY 19 Ca -0.01 -0.89 -0.24 0.00 0.00 0.00 0.00 47.33 46.19 2cg4 h GLY 19 CO 0.01 0.78 -0.56 0.21 0.00 0.00 0.00 176.54 176.98 2cg4 s ASN 20 N -7.14 0.72 0.38 0.19 3.84 -0.81 -5.01 114.94 107.12 2cg4 s ASN 20 Ca -0.20 0.21 0.26 0.00 0.21 0.00 0.00 52.86 53.35 2cg4 s ASN 20 Cb 0.06 0.67 1.37 0.00 -0.55 0.00 0.00 41.25 42.79 2cg4 s ASN 20 CO 0.79 -0.28 1.79 0.00 -2.79 0.00 0.00 177.10 176.61 2cg4 h ALA 21 N 8.28 1.00 -0.01 1.71 0.00 -1.83 -3.05 119.26 125.37 2cg4 h ALA 21 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 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 0.22 0.00 -0.47 0.54 0.00 0.00 0.00 179.25 179.54 2cg4 n ARG 22 N -2.41 2.11 -1.62 0.00 1.74 -1.26 -4.96 116.66 110.25 2cg4 n ARG 22 Ca -0.01 -0.40 -0.38 0.00 -0.77 0.00 0.00 57.85 56.29 2cg4 n ARG 22 Cb 0.07 -1.19 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 2cg4 n ARG 22 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2cg4 n THR 23 N -0.71 3.44 -3.06 0.55 5.66 -1.15 -4.89 114.28 114.12 2cg4 n THR 23 Ca 0.04 -0.50 -0.40 0.00 -3.05 0.00 0.00 64.05 60.14 2cg4 n THR 23 Cb 0.26 -1.19 -0.05 0.00 -1.55 0.00 0.00 70.33 67.80 2cg4 n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cg4 s ALA 24 N -1.46 3.42 0.53 1.79 0.00 -1.26 -4.91 121.76 119.87 2cg4 s ALA 24 Ca 0.73 0.01 0.39 0.00 0.00 0.00 0.00 51.96 53.09 2cg4 s ALA 24 Cb -0.44 -2.98 1.57 0.00 0.00 0.00 0.00 23.12 21.28 2cg4 s ALA 24 CO 0.49 -0.28 1.73 1.88 0.00 0.00 0.00 175.76 179.59 2cg4 h TYR 25 N 7.00 0.07 -0.00 0.00 0.99 -1.94 0.13 116.97 123.21 2cg4 h TYR 25 Ca -0.37 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.21 2cg4 h TYR 25 Cb 1.17 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.86 2cg4 h TYR 25 CO 0.67 -0.01 -0.71 0.00 -0.00 0.00 0.00 178.16 178.11 2cg4 h ALA 26 N 1.32 0.82 -0.11 3.88 0.00 -1.91 -1.92 119.26 121.35 2cg4 h ALA 26 Ca 0.68 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2cg4 h ALA 26 Cb 2.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.34 2cg4 h ALA 26 CO -0.05 0.88 -0.79 1.49 0.00 0.00 0.00 179.25 180.79 2cg4 h GLU 27 N 0.01 0.62 -0.36 0.00 4.81 -1.14 -2.99 114.58 115.53 2cg4 h GLU 27 Ca -0.01 -0.52 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 2cg4 h GLU 27 Cb 1.26 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2cg4 h GLU 27 CO 0.09 1.14 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.24 2cg4 h LEU 28 N 0.41 0.70 -0.38 1.64 3.38 -1.37 -0.02 115.31 119.68 2cg4 h LEU 28 Ca -0.05 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2cg4 h LEU 28 Cb 1.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2cg4 h LEU 28 CO 0.15 0.90 0.18 0.00 0.09 0.00 0.00 178.44 179.76 2cg4 h ALA 29 N 1.16 0.47 -0.34 1.53 0.00 -1.39 -0.86 119.26 119.82 2cg4 h ALA 29 Ca 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2cg4 h ALA 29 Cb 0.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2cg4 h ALA 29 CO 0.05 -0.18 -0.01 -0.22 0.00 0.00 0.00 179.25 178.89 2cg4 h LYS 30 N 0.38 0.54 -0.16 0.00 1.63 -1.34 -0.73 116.57 116.89 2cg4 h LYS 30 Ca 0.16 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 2cg4 h LYS 30 Cb 0.08 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2cg4 h LYS 30 CO -0.12 0.57 -0.25 0.37 -3.45 0.00 0.00 179.45 176.58 2cg4 h GLN 31 N 0.52 0.45 -0.00 1.90 4.15 -0.26 -3.28 115.11 118.57 2cg4 h GLN 31 Ca 0.11 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2cg4 h GLN 31 Cb 0.35 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2cg4 h GLN 31 CO 0.01 0.86 -0.77 1.19 -1.93 0.00 0.00 178.83 178.19 2cg4 n PHE 32 N -4.43 0.00 -2.08 3.99 0.99 -0.40 -4.99 117.46 110.54 2cg4 n PHE 32 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.36 2cg4 n PHE 32 Cb 0.44 -0.04 0.01 0.00 -1.00 0.00 0.00 39.48 38.89 2cg4 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2cg4 n GLY 33 N 1.47 0.41 1.73 1.37 0.00 -0.55 -5.08 105.19 104.54 2cg4 n GLY 33 Ca 0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.54 0.00 -3.17 1.61 3.14 -0.39 -5.05 118.33 112.92 2cg4 n VAL 34 Ca -0.03 -1.07 -0.39 0.00 -2.96 0.00 0.00 64.34 59.89 2cg4 n VAL 34 Cb 0.52 0.60 -0.05 0.00 -1.06 0.00 0.00 33.84 33.85 2cg4 n VAL 34 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2cg4 s SER 35 N -2.17 6.92 0.64 6.55 0.15 -1.26 -4.44 113.70 120.09 2cg4 s SER 35 Ca 0.17 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2cg4 s SER 35 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2cg4 s SER 35 CO 0.12 0.00 0.97 -2.65 1.20 0.00 0.00 173.24 172.89 2cg4 n PRO 36 N 3.30 0.03 -0.06 5.44 -0.02 -1.26 -0.68 135.00 141.74 2cg4 n PRO 36 Ca -0.05 0.92 -0.06 0.00 -2.02 0.00 0.00 63.50 62.29 2cg4 n PRO 36 Cb 0.51 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 2cg4 n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2cg4 n GLU 37 N -2.44 0.67 0.13 -0.52 4.71 -1.26 -3.32 120.64 118.60 2cg4 n GLU 37 Ca 0.00 0.04 -0.02 0.00 -0.01 0.00 0.00 57.16 57.17 2cg4 n GLU 37 Cb 0.97 -1.59 0.17 0.00 -1.01 0.00 0.00 31.44 29.98 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 0.00 1.42 -0.27 2.62 1.35 -1.29 -2.51 112.91 114.23 2cg4 h THR 38 Ca -0.41 -2.02 -0.10 0.00 -0.55 0.00 0.00 66.41 63.33 2cg4 h THR 38 Cb 2.00 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 70.49 2cg4 h THR 38 CO 0.04 0.58 -0.21 0.40 -0.25 0.00 0.00 175.52 176.08 2cg4 h ILE 39 N 0.05 1.31 -0.92 6.82 2.04 -1.65 0.68 117.51 125.83 2cg4 h ILE 39 Ca -0.01 -1.35 0.08 0.00 1.00 0.00 0.00 64.86 64.59 2cg4 h ILE 39 Cb 1.07 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 2cg4 h ILE 39 CO 0.08 0.43 0.59 -0.74 0.00 0.00 0.00 178.15 178.51 2cg4 h HIS 40 N 0.34 1.04 0.03 1.37 2.76 -1.54 -2.47 115.15 116.68 2cg4 h HIS 40 Ca 0.05 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2cg4 h HIS 40 Cb 0.75 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 29.38 2cg4 h HIS 40 CO 0.07 0.51 -0.26 0.28 -1.30 0.00 0.00 177.93 177.23 2cg4 h VAL 41 N 0.99 1.63 -0.44 5.26 2.07 -1.19 -2.54 116.25 122.03 2cg4 h VAL 41 Ca 0.41 -2.18 0.09 0.00 0.82 0.00 0.00 66.70 65.84 2cg4 h VAL 41 Cb 0.28 3.06 -0.09 0.00 -1.52 0.00 0.00 31.29 33.02 2cg4 h VAL 41 CO -0.17 0.59 -0.12 0.03 0.02 0.00 0.00 177.57 177.92 2cg4 h ARG 42 N -0.65 -0.01 -0.96 1.57 2.47 -0.86 0.30 114.38 116.23 2cg4 h ARG 42 Ca -0.04 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.80 2cg4 h ARG 42 Cb 1.11 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 2cg4 h ARG 42 CO 0.05 -0.01 0.61 0.28 0.56 0.00 0.00 179.97 181.46 2cg4 h VAL 43 N -0.01 0.90 -0.00 2.04 2.07 -1.50 -1.81 116.25 117.93 2cg4 h VAL 43 Ca 0.21 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 2cg4 h VAL 43 Cb 0.34 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2cg4 h VAL 43 CO -0.46 0.16 -0.80 -0.08 0.02 0.00 0.00 177.57 176.42 2cg4 h GLU 44 N 0.90 0.03 0.07 1.57 4.22 -0.67 -1.56 114.58 119.15 2cg4 h GLU 44 Ca 0.47 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.87 2cg4 h GLU 44 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2cg4 h GLU 44 CO -0.24 0.81 -0.03 0.87 -2.18 0.00 0.00 179.01 178.24 2cg4 h LYS 45 N 0.02 -0.09 -0.83 1.92 1.57 -0.72 -2.17 116.57 116.27 2cg4 h LYS 45 Ca -0.01 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.01 2cg4 h LYS 45 Cb 1.40 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 2cg4 h LYS 45 CO 0.11 0.38 0.60 0.52 -0.57 0.00 0.00 179.45 180.48 2cg4 h MET 46 N -0.60 0.00 0.07 3.15 2.86 -1.33 0.62 114.93 119.70 2cg4 h MET 46 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2cg4 h MET 46 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2cg4 h MET 46 CO 0.02 0.00 -0.03 0.87 1.06 0.00 0.00 176.91 178.82 2cg4 h LYS 47 N 0.00 -0.09 0.00 1.72 1.57 -1.15 0.71 116.57 119.33 2cg4 h LYS 47 Ca 0.39 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 2cg4 h LYS 47 Cb 1.59 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2cg4 h LYS 47 CO -0.00 0.36 -0.18 1.96 -0.57 0.00 0.00 179.45 181.02 2cg4 h GLN 48 N -0.58 0.00 0.00 3.15 4.20 -0.62 -1.06 115.11 120.21 2cg4 h GLN 48 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2cg4 h GLN 48 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2cg4 h GLN 48 CO 0.02 0.18 -0.21 0.00 -0.67 0.00 0.00 178.83 178.14 2cg4 h ALA 49 N 1.82 1.21 0.00 3.87 0.00 0.20 -3.47 119.26 122.89 2cg4 h ALA 49 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cg4 h ALA 49 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cg4 h ALA 49 CO 0.02 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2cg4 n GLY 50 N -0.36 0.72 0.11 0.00 0.00 -0.40 -4.96 105.19 100.30 2cg4 n GLY 50 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 1.46 -3.50 -0.61 2.04 -1.11 -3.41 117.51 112.39 2cg4 h ILE 51 Ca 0.00 -1.67 -0.60 0.00 1.00 0.00 0.00 64.86 63.59 2cg4 h ILE 51 Cb 0.00 2.41 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 2cg4 h ILE 51 CO 0.00 0.46 -0.01 -0.63 0.00 0.00 0.00 178.15 177.97 2cg4 s ILE 52 N -3.62 5.08 -0.23 -0.67 1.01 -0.78 -4.96 121.20 117.02 2cg4 s ILE 52 Ca -0.15 0.95 0.16 0.00 0.00 0.00 0.00 60.65 61.61 2cg4 s ILE 52 Cb 0.02 -3.85 -0.23 0.00 0.01 0.00 0.00 42.46 38.42 2cg4 s ILE 52 CO 0.74 0.14 0.45 0.35 0.00 0.00 0.00 174.94 176.62 2cg4 n THR 53 N 4.79 0.00 0.00 2.92 -2.24 -1.26 -4.44 114.28 114.05 2cg4 n THR 53 Ca -0.04 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2cg4 n THR 53 Cb 0.50 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.52 1.09 3.16 3.38 0.00 -1.26 -5.10 105.19 107.99 2cg4 n GLY 54 Ca -0.01 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 2.52 0.05 4.61 0.00 -1.26 -5.12 121.76 120.56 2cg4 s ALA 55 Ca 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2cg4 s ALA 55 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2cg4 s ALA 55 CO 0.00 -0.55 -0.06 1.03 0.00 0.00 0.00 175.76 176.18 2cg4 s ARG 56 N 1.31 0.57 0.30 0.00 0.52 -1.26 -5.14 118.95 115.24 2cg4 s ARG 56 Ca 0.03 -0.94 -0.28 0.00 -0.52 0.00 0.00 55.73 54.01 2cg4 s ARG 56 Cb -0.15 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.14 2cg4 s ARG 56 CO -0.09 -0.02 1.05 0.96 0.02 0.00 0.00 175.30 177.23 2cg4 s ILE 57 N -2.39 3.68 0.14 1.52 -4.36 -1.26 -5.00 121.20 113.53 2cg4 s ILE 57 Ca -0.03 1.60 -0.14 0.00 -0.26 0.00 0.00 60.65 61.82 2cg4 s ILE 57 Cb -0.03 -3.98 -0.07 0.00 1.25 0.00 0.00 42.46 39.63 2cg4 s ILE 57 CO -0.03 0.31 0.53 -1.81 0.24 0.00 0.00 174.94 174.18 2cg4 s ASP 58 N -1.11 6.80 0.07 4.36 -0.00 -1.26 -5.09 116.67 120.45 2cg4 s ASP 58 Ca 0.47 1.04 0.08 0.00 -0.00 0.00 0.00 52.55 54.14 2cg4 s ASP 58 Cb -0.28 -2.27 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 2cg4 s ASP 58 CO 0.36 0.11 -0.22 -0.69 -0.00 0.00 0.00 175.17 174.73 2cg4 s VAL 59 N -1.46 1.76 -0.34 -1.27 1.01 -1.26 -5.11 120.40 113.73 2cg4 s VAL 59 Ca 0.37 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 2cg4 s VAL 59 Cb -0.15 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2cg4 s VAL 59 CO 0.19 0.11 0.21 -0.55 0.00 0.00 0.00 175.10 175.06 2cg4 s SER 60 N -1.51 5.86 0.28 3.32 0.15 -1.26 -4.97 113.70 115.56 2cg4 s SER 60 Ca 0.08 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 2cg4 s SER 60 Cb -0.09 -2.08 0.39 0.00 -1.71 0.00 0.00 66.02 62.52 2cg4 s SER 60 CO 0.03 -0.25 1.91 -0.65 1.20 0.00 0.00 173.24 175.47 2cg4 h PRO 61 N 8.45 1.04 -0.27 5.44 0.11 -1.96 -2.79 132.00 142.01 2cg4 h PRO 61 Ca -0.31 -0.11 0.05 0.00 0.11 0.00 0.00 66.00 65.74 2cg4 h PRO 61 Cb 1.15 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 2cg4 h PRO 61 CO 0.64 0.76 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.92 2cg4 h LYS 62 N 1.05 0.01 0.00 1.05 3.64 -1.94 -0.19 116.57 120.19 2cg4 h LYS 62 Ca 0.27 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2cg4 h LYS 62 Cb 0.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2cg4 h LYS 62 CO -0.04 0.01 -0.01 1.96 -2.27 0.00 0.00 179.45 179.09 2cg4 h GLN 63 N 0.01 0.00 -0.51 1.90 7.50 -1.86 0.41 115.11 122.56 2cg4 h GLN 63 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2cg4 h GLN 63 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.73 2cg4 h GLN 63 CO -0.27 0.01 0.00 1.28 -1.50 0.00 0.00 178.83 178.35 2cg4 n LEU 64 N -3.14 2.80 0.00 1.46 4.77 -0.40 -4.93 117.00 117.56 2cg4 n LEU 64 Ca -0.01 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 2cg4 n LEU 64 Cb 0.22 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2cg4 n LEU 64 CO 0.25 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2cg4 n GLY 65 N 1.34 0.73 3.52 -0.72 0.00 0.13 -5.00 105.19 105.19 2cg4 n GLY 65 Ca 0.18 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 2.97 -0.71 1.61 1.51 -0.22 -4.44 117.35 116.07 2cg4 s TYR 66 Ca 0.00 -1.48 0.25 0.00 -1.01 0.00 0.00 57.07 54.84 2cg4 s TYR 66 Cb 0.00 -4.52 0.59 0.00 -0.11 0.00 0.00 41.96 37.92 2cg4 s TYR 66 CO 0.00 -1.67 1.55 -0.25 -1.11 0.00 0.00 175.55 174.07 2cg4 n ASP 67 N 7.43 0.71 -3.91 2.29 8.00 -1.17 -4.14 116.55 125.76 2cg4 n ASP 67 Ca 0.36 0.32 -0.30 0.00 0.71 0.00 0.00 54.79 55.87 2cg4 n ASP 67 Cb 0.47 -0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 41.16 2cg4 n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cg4 s VAL 68 N -3.12 2.38 0.16 2.53 1.01 -0.83 -5.00 120.40 117.53 2cg4 s VAL 68 Ca 0.09 -3.19 -0.21 0.00 0.00 0.00 0.00 61.98 58.66 2cg4 s VAL 68 Cb 0.13 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 2cg4 s VAL 68 CO 0.66 -0.82 0.70 -0.83 0.00 0.00 0.00 175.10 174.81 2cg4 s GLY 69 N -0.18 2.73 0.02 4.51 0.00 -1.26 -1.22 107.32 111.92 2cg4 s GLY 69 Ca 0.17 0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.97 2cg4 s GLY 69 CO 0.00 0.61 0.23 0.00 0.00 0.00 0.00 173.10 173.94 2cg4 s PHE 71 N -2.12 3.31 -0.13 0.00 0.40 -0.49 -1.40 117.98 117.56 2cg4 s PHE 71 Ca -0.08 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2cg4 s PHE 71 Cb -0.03 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.49 2cg4 s PHE 71 CO -0.01 0.32 -0.19 0.42 0.70 0.00 0.00 175.22 176.45 2cg4 s ILE 72 N -0.08 2.42 -0.21 0.64 1.01 0.34 0.13 121.20 125.45 2cg4 s ILE 72 Ca 0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 2cg4 s ILE 72 Cb -0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2cg4 s ILE 72 CO 0.01 0.54 0.34 -0.83 0.00 0.00 0.00 174.94 175.00 2cg4 s GLY 73 N 0.53 2.06 -0.23 6.18 0.00 0.71 -1.03 107.32 115.53 2cg4 s GLY 73 Ca -0.12 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 2cg4 s GLY 73 CO 0.04 0.71 0.11 -0.42 0.00 0.00 0.00 173.10 173.55 2cg4 s ILE 74 N 1.25 4.93 -0.16 0.90 1.01 0.13 -0.82 121.20 128.43 2cg4 s ILE 74 Ca 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 2cg4 s ILE 74 Cb -0.14 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2cg4 s ILE 74 CO 0.07 0.36 0.05 -0.63 0.00 0.00 0.00 174.94 174.79 2cg4 s ILE 75 N 1.10 4.66 0.27 2.92 1.09 0.31 -1.15 121.20 130.40 2cg4 s ILE 75 Ca 0.06 -0.09 0.06 0.00 -1.10 0.00 0.00 60.65 59.58 2cg4 s ILE 75 Cb -0.14 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.16 2cg4 s ILE 75 CO 0.04 0.49 0.31 -0.76 -0.10 0.00 0.00 174.94 174.92 2cg4 s LEU 76 N 0.14 4.00 0.28 2.97 1.43 -1.26 -0.42 118.68 125.82 2cg4 s LEU 76 Ca 0.04 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2cg4 s LEU 76 Cb -0.12 -2.58 0.40 0.00 0.03 0.00 0.00 46.19 43.92 2cg4 s LEU 76 CO 0.01 -0.14 1.71 0.11 0.23 0.00 0.00 176.35 178.27 2cg4 h LYS 77 N 1.26 0.45 -2.69 1.70 1.57 -1.46 -3.42 116.57 113.98 2cg4 h LYS 77 Ca -0.49 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.01 2cg4 h LYS 77 Cb 1.24 -0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.33 2cg4 h LYS 77 CO 0.59 0.70 -0.13 -1.54 -0.57 0.00 0.00 179.45 178.50 2cg4 s SER 78 N -6.83 -0.36 0.38 0.86 1.04 -1.26 -5.04 113.70 102.48 2cg4 s SER 78 Ca -0.06 0.39 0.20 0.00 0.48 0.00 0.00 55.95 56.95 2cg4 s SER 78 Cb 0.14 0.47 0.58 0.00 0.10 0.00 0.00 66.02 67.31 2cg4 s SER 78 CO 0.79 -0.45 1.68 0.00 0.98 0.00 0.00 173.24 176.24 2cg4 h ALA 79 N 3.87 0.91 0.00 5.32 0.00 -1.99 -1.76 119.26 125.61 2cg4 h ALA 79 Ca -0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2cg4 h ALA 79 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2cg4 h ALA 79 CO 0.37 0.42 0.00 0.36 0.00 0.00 0.00 179.25 180.40 2cg4 n LYS 80 N -3.36 0.10 0.00 0.00 2.85 -1.26 -2.93 118.16 113.56 2cg4 n LYS 80 Ca 0.01 0.55 0.15 0.00 -1.05 0.00 0.00 58.31 57.97 2cg4 n LYS 80 Cb 0.54 -1.80 0.87 0.00 -0.65 0.00 0.00 35.03 34.00 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 -2.01 0.00 -0.19 -5.58 8.00 -0.66 -4.29 116.55 111.82 2cg4 n ASP 81 Ca -0.00 -0.79 -0.04 0.00 0.71 0.00 0.00 54.79 54.67 2cg4 n ASP 81 Cb 0.06 -0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.00 0.59 -0.58 1.24 3.20 -1.77 -1.91 116.97 117.74 2cg4 h TYR 82 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2cg4 h TYR 82 Cb 0.06 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2cg4 h TYR 82 CO 0.00 0.30 0.20 -1.35 -1.64 0.00 0.00 178.16 175.67 2cg4 h PRO 83 N 0.61 0.86 0.02 1.82 0.11 -1.89 -1.61 132.00 131.91 2cg4 h PRO 83 Ca 0.24 -0.15 -0.26 0.00 0.11 0.00 0.00 66.00 65.94 2cg4 h PRO 83 Cb 0.10 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.09 2cg4 h PRO 83 CO -0.14 0.73 -1.05 0.77 -0.21 0.00 0.00 178.00 178.10 2cg4 h SER 84 N 0.84 0.80 -0.46 -2.05 0.02 -1.78 -2.43 113.55 108.49 2cg4 h SER 84 Ca 0.19 -0.66 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 2cg4 h SER 84 Cb 0.22 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2cg4 h SER 84 CO -0.01 1.46 -0.00 0.00 -1.14 0.00 0.00 176.83 177.14 2cg4 h ALA 85 N 0.48 0.62 -0.31 3.77 0.00 -1.36 -2.69 119.26 119.77 2cg4 h ALA 85 Ca -0.13 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2cg4 h ALA 85 Cb 1.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2cg4 h ALA 85 CO 0.20 0.42 0.03 1.25 0.00 0.00 0.00 179.25 181.15 2cg4 h LEU 86 N 0.66 -0.05 -0.85 0.00 5.85 -1.31 -1.52 115.31 118.09 2cg4 h LEU 86 Ca 0.13 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.00 2cg4 h LEU 86 Cb 0.51 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2cg4 h LEU 86 CO 0.02 0.01 0.49 0.00 -0.34 0.00 0.00 178.44 178.63 2cg4 h ALA 87 N 1.25 1.21 -0.24 1.25 0.00 -1.34 -1.08 119.26 120.32 2cg4 h ALA 87 Ca 0.15 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2cg4 h ALA 87 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2cg4 h ALA 87 CO -0.22 0.13 -0.32 0.87 0.00 0.00 0.00 179.25 179.71 2cg4 h LYS 88 N 0.83 0.49 -0.03 0.00 1.79 -1.14 -3.25 116.57 115.26 2cg4 h LYS 88 Ca 0.41 -0.21 -0.19 0.00 -2.18 0.00 0.00 60.65 58.48 2cg4 h LYS 88 Cb 0.36 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2cg4 h LYS 88 CO -0.24 0.75 -0.79 -0.07 -1.08 0.00 0.00 179.45 178.02 2cg4 h LEU 89 N 0.42 0.34 -1.01 2.94 3.38 -0.41 -3.26 115.31 117.70 2cg4 h LEU 89 Ca 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2cg4 h LEU 89 Cb 0.76 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2cg4 h LEU 89 CO 0.06 1.00 -0.00 1.05 0.09 0.00 0.00 178.44 180.63 2cg4 h GLU 90 N 0.17 0.00 0.00 1.13 -0.00 -1.26 -0.68 114.58 113.95 2cg4 h GLU 90 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2cg4 h GLU 90 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 2cg4 h GLU 90 CO 0.13 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.57 2cg4 n SER 91 N -3.10 0.41 -4.66 3.06 7.64 -1.23 -4.69 113.62 111.06 2cg4 n SER 91 Ca 0.02 0.59 -0.40 0.00 1.01 0.00 0.00 58.87 60.08 2cg4 n SER 91 Cb 0.38 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.89 4.14 0.27 -3.43 1.43 -0.26 -4.94 118.68 112.00 2cg4 s LEU 92 Ca 0.06 0.85 0.26 0.00 -1.03 0.00 0.00 54.13 54.27 2cg4 s LEU 92 Cb 0.10 -2.92 0.79 0.00 0.03 0.00 0.00 46.19 44.20 2cg4 s LEU 92 CO 0.38 -0.30 1.75 0.44 0.23 0.00 0.00 176.35 178.85 2cg4 h ASP 93 N 7.52 0.00 1.81 2.29 3.32 -1.85 -2.94 116.42 126.57 2cg4 h ASP 93 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2cg4 h ASP 93 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2cg4 h ASP 93 CO 0.78 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 179.35 2cg4 h GLU 94 N 0.00 0.00 -6.53 3.56 9.09 -1.92 -3.41 114.58 115.38 2cg4 h GLU 94 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 2cg4 h GLU 94 Cb 0.71 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.74 2cg4 h GLU 94 CO 0.00 0.00 1.01 0.08 0.05 0.00 0.00 179.01 180.15 2cg4 s VAL 95 N -3.22 3.94 -0.27 -1.06 1.01 -1.11 -0.74 120.40 118.96 2cg4 s VAL 95 Ca 0.07 0.82 0.23 0.00 0.00 0.00 0.00 61.98 63.10 2cg4 s VAL 95 Cb 0.07 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2cg4 s VAL 95 CO 0.64 -1.35 1.02 0.35 0.00 0.00 0.00 175.10 175.76 2cg4 n THR 96 N 6.69 0.53 -3.70 3.92 -2.24 -0.25 -4.94 114.28 114.30 2cg4 n THR 96 Ca 0.09 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2cg4 n THR 96 Cb 0.49 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.35 0.87 -0.17 -0.78 2.02 -1.21 -4.98 118.70 111.10 2cg4 s GLU 97 Ca -0.00 -0.38 -0.18 0.00 0.02 0.00 0.00 54.97 54.43 2cg4 s GLU 97 Cb 0.10 0.39 0.05 0.00 0.10 0.00 0.00 34.13 34.77 2cg4 s GLU 97 CO 0.80 -0.29 0.49 0.00 0.02 0.00 0.00 175.26 176.28 2cg4 s ALA 98 N -2.39 -1.21 -0.00 5.21 0.00 -1.26 -1.58 121.76 120.52 2cg4 s ALA 98 Ca -0.06 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2cg4 s ALA 98 Cb -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 2cg4 s ALA 98 CO -0.02 -0.24 -0.05 0.71 0.00 0.00 0.00 175.76 176.16 2cg4 s TYR 99 N 0.10 0.43 -0.53 0.00 1.51 0.12 -4.98 117.35 114.00 2cg4 s TYR 99 Ca -0.01 -0.08 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 2cg4 s TYR 99 Cb -0.03 -0.28 0.05 0.00 -0.11 0.00 0.00 41.96 41.59 2cg4 s TYR 99 CO 0.01 -0.01 0.76 -0.47 -1.11 0.00 0.00 175.55 174.73 2cg4 s TYR 100 N -0.09 2.94 0.06 2.71 5.04 -1.26 -0.71 117.35 126.03 2cg4 s TYR 100 Ca 0.02 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 2cg4 s TYR 100 Cb -0.02 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.52 2cg4 s TYR 100 CO -0.00 -1.17 0.02 0.25 -1.34 0.00 0.00 175.55 173.31 2cg4 n THR 101 N 5.86 0.00 -3.05 4.34 -2.24 -1.26 -5.04 114.28 112.89 2cg4 n THR 101 Ca -0.03 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 2cg4 n THR 101 Cb 0.46 -0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.50 2cg4 n THR 101 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cg4 s THR 102 N -0.70 2.54 0.00 4.28 -4.23 -1.26 -4.93 115.64 111.35 2cg4 s THR 102 Ca 0.02 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2cg4 s THR 102 Cb -0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2cg4 s THR 102 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2cg4 n GLY 103 N -2.03 -0.49 0.11 3.99 0.00 -1.26 -4.61 105.19 100.89 2cg4 n GLY 103 Ca 0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 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 0.06 -3.22 1.61 3.86 -2.01 -3.46 115.15 111.98 2cg4 h HIS 104 Ca 0.00 -0.03 -0.57 0.00 -1.16 0.00 0.00 60.37 58.61 2cg4 h HIS 104 Cb 0.00 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2cg4 h HIS 104 CO 0.00 0.80 -0.26 0.71 0.86 0.00 0.00 177.93 180.04 2cg4 s TYR 105 N -3.28 3.48 -0.05 2.45 4.12 -1.26 -4.94 117.35 117.88 2cg4 s TYR 105 Ca -0.01 0.66 -0.26 0.00 0.02 0.00 0.00 57.07 57.48 2cg4 s TYR 105 Cb 0.11 -2.08 -0.21 0.00 -1.52 0.00 0.00 41.96 38.26 2cg4 s TYR 105 CO 0.79 0.41 1.15 0.77 0.02 0.00 0.00 175.55 178.69 2cg4 h SER 106 N 2.88 0.03 -4.00 2.29 0.02 -1.47 -3.44 113.55 109.86 2cg4 h SER 106 Ca -0.47 -0.61 -0.45 0.00 -0.84 0.00 0.00 61.79 59.42 2cg4 h SER 106 Cb 1.17 -0.01 -0.30 0.00 0.14 0.00 0.00 62.40 63.40 2cg4 h SER 106 CO 0.71 0.64 -0.80 -0.63 -1.14 0.00 0.00 176.83 175.61 2cg4 s ILE 107 N -3.75 0.94 -0.21 3.27 1.01 -1.04 -4.41 121.20 117.00 2cg4 s ILE 107 Ca -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2cg4 s ILE 107 Cb 0.01 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.72 2cg4 s ILE 107 CO 0.69 0.27 -0.14 0.12 0.00 0.00 0.00 174.94 175.88 2cg4 s PHE 108 N -0.09 2.82 0.18 3.97 5.36 0.11 0.22 117.98 130.56 2cg4 s PHE 108 Ca 0.01 -1.83 0.09 0.00 -0.96 0.00 0.00 56.93 54.24 2cg4 s PHE 108 Cb -0.07 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2cg4 s PHE 108 CO 0.00 -0.81 -0.20 0.96 -1.46 0.00 0.00 175.22 173.71 2cg4 s ILE 109 N 1.27 2.00 -0.19 3.12 -4.36 -0.20 0.15 121.20 122.98 2cg4 s ILE 109 Ca -0.01 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.33 2cg4 s ILE 109 Cb -0.16 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 2cg4 s ILE 109 CO -0.09 -0.27 0.04 -0.75 0.24 0.00 0.00 174.94 174.11 2cg4 s LYS 110 N -2.81 3.84 0.02 0.37 2.20 -0.62 -0.50 119.74 122.24 2cg4 s LYS 110 Ca 0.18 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.42 2cg4 s LYS 110 Cb -0.06 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 2cg4 s LYS 110 CO 0.08 0.16 -0.09 0.14 -0.36 0.00 0.00 175.35 175.29 2cg4 s VAL 111 N 0.64 3.48 -0.15 4.02 -7.23 -0.49 -1.08 120.40 119.59 2cg4 s VAL 111 Ca 0.02 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2cg4 s VAL 111 Cb -0.13 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2cg4 s VAL 111 CO 0.02 0.35 -0.17 -0.04 -0.31 0.00 0.00 175.10 174.95 2cg4 s MET 112 N -1.52 3.16 0.08 4.82 -1.94 0.08 -1.51 119.30 122.47 2cg4 s MET 112 Ca 0.17 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2cg4 s MET 112 Cb -0.11 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 2cg4 s MET 112 CO 0.08 0.01 -0.06 0.00 -0.01 0.00 0.00 175.02 175.03 2cg4 h ARG 114 N 3.23 0.40 -4.53 0.00 3.08 -1.82 -2.20 114.38 112.56 2cg4 h ARG 114 Ca -0.35 -0.69 -0.22 0.00 0.07 0.00 0.00 59.98 58.78 2cg4 h ARG 114 Cb 1.17 0.26 -0.15 0.00 0.08 0.00 0.00 29.97 31.33 2cg4 h ARG 114 CO 0.61 1.33 -0.60 -1.54 -1.07 0.00 0.00 179.97 178.70 2cg4 s SER 115 N -7.31 0.16 0.49 7.04 1.04 -1.26 -3.09 113.70 110.77 2cg4 s SER 115 Ca -0.15 -1.34 0.21 0.00 0.48 0.00 0.00 55.95 55.14 2cg4 s SER 115 Cb 0.05 0.38 1.25 0.00 0.10 0.00 0.00 66.02 67.80 2cg4 s SER 115 CO 0.86 -0.84 2.04 0.16 0.98 0.00 0.00 173.24 176.44 2cg4 h ILE 116 N 2.64 0.84 0.03 -1.02 -0.00 -1.95 -0.39 117.51 117.65 2cg4 h ILE 116 Ca -0.35 -0.55 -0.00 0.00 -0.00 0.00 0.00 64.86 63.95 2cg4 h ILE 116 Cb 1.24 1.32 0.00 0.00 -0.00 0.00 0.00 36.82 39.38 2cg4 h ILE 116 CO 0.53 0.14 -0.01 -0.78 -0.00 0.00 0.00 178.15 178.03 2cg4 h ASP 117 N 0.00 -0.03 -0.17 2.16 1.82 -1.99 0.22 116.42 118.43 2cg4 h ASP 117 Ca -0.00 -0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.43 2cg4 h ASP 117 Cb 0.31 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.26 2cg4 h ASP 117 CO 0.02 0.24 -0.32 0.00 -1.61 0.00 0.00 179.24 177.57 2cg4 h ALA 118 N 0.67 -0.34 -0.86 -0.78 0.00 -1.93 -2.14 119.26 113.87 2cg4 h ALA 118 Ca -0.00 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2cg4 h ALA 118 Cb 0.28 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2cg4 h ALA 118 CO 0.01 -0.78 0.56 1.25 0.00 0.00 0.00 179.25 180.28 2cg4 h LEU 119 N -0.37 0.73 -0.60 0.00 5.85 -0.92 -0.46 115.31 119.54 2cg4 h LEU 119 Ca 0.11 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2cg4 h LEU 119 Cb 0.54 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2cg4 h LEU 119 CO -0.38 0.42 0.04 -0.61 -0.34 0.00 0.00 178.44 177.58 2cg4 h GLN 120 N 0.81 1.03 -0.76 1.25 -0.00 -0.78 -1.58 115.11 115.09 2cg4 h GLN 120 Ca 0.40 -0.31 -0.06 0.00 -0.00 0.00 0.00 58.65 58.69 2cg4 h GLN 120 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.81 2cg4 h GLN 120 CO -0.17 0.99 0.26 1.25 0.00 0.00 0.00 178.83 181.16 2cg4 h HIS 121 N 0.93 1.20 -0.04 3.99 2.76 -0.52 -2.29 115.15 121.18 2cg4 h HIS 121 Ca 0.18 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2cg4 h HIS 121 Cb 0.50 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 2cg4 h HIS 121 CO 0.04 0.93 -0.06 0.28 -1.30 0.00 0.00 177.93 177.83 2cg4 h VAL 122 N 1.12 1.40 -0.26 5.26 2.07 -1.00 -1.20 116.25 123.64 2cg4 h VAL 122 Ca 0.25 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.54 2cg4 h VAL 122 Cb 0.28 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 2cg4 h VAL 122 CO -0.01 0.35 -0.41 -0.07 0.02 0.00 0.00 177.57 177.44 2cg4 h LEU 123 N -0.37 -1.33 -0.07 2.57 3.38 -1.31 0.13 115.31 118.31 2cg4 h LEU 123 Ca 0.00 0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 2cg4 h LEU 123 Cb 0.59 0.56 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2cg4 h LEU 123 CO 0.01 -0.39 -0.66 0.40 0.09 0.00 0.00 178.44 177.89 2cg4 h ILE 124 N -0.41 1.35 0.04 1.22 2.04 -1.46 0.43 117.51 120.72 2cg4 h ILE 124 Ca 0.11 -1.98 -0.34 0.00 1.00 0.00 0.00 64.86 63.65 2cg4 h ILE 124 Cb 0.60 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 2cg4 h ILE 124 CO -0.47 0.60 -1.97 0.59 0.00 0.00 0.00 178.15 176.89 2cg4 n ASN 125 N -4.12 1.22 -0.07 1.72 3.02 -0.45 -3.59 115.26 112.98 2cg4 n ASN 125 Ca -0.09 0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.61 2cg4 n ASN 125 Cb 0.69 -0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 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 -3.15 0.69 -0.11 3.52 5.02 0.19 -4.53 118.16 119.79 2cg4 n LYS 126 Ca -0.27 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 55.85 2cg4 n LYS 126 Cb 1.06 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.68 2cg4 n LYS 126 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2cg4 n ILE 127 N -2.83 1.53 0.99 -0.18 5.41 0.19 -4.33 119.36 120.15 2cg4 n ILE 127 Ca -0.24 -0.13 0.14 0.00 1.00 0.00 0.00 62.75 63.52 2cg4 n ILE 127 Cb 0.79 -2.00 0.61 0.00 -0.71 0.00 0.00 39.64 38.32 2cg4 n ILE 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2cg4 n GLN 128 N -4.38 0.02 0.12 0.38 6.02 0.15 -2.17 117.38 117.53 2cg4 n GLN 128 Ca -0.39 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 56.75 2cg4 n GLN 128 Cb 0.74 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.91 2cg4 n GLN 128 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2cg4 h THR 129 N 0.00 0.00 -2.62 5.09 1.35 -1.76 -3.44 112.91 111.52 2cg4 h THR 129 Ca 0.00 -0.46 -0.53 0.00 -0.55 0.00 0.00 66.41 64.86 2cg4 h THR 129 Cb 0.47 1.42 0.02 0.00 -1.73 0.00 0.00 68.15 68.33 2cg4 h THR 129 CO 0.00 0.00 1.05 -0.63 -0.25 0.00 0.00 175.52 175.69 2cg4 s ILE 130 N -3.16 2.94 0.05 6.82 1.01 -0.92 -4.89 121.20 123.05 2cg4 s ILE 130 Ca 0.09 0.36 0.16 0.00 0.00 0.00 0.00 60.65 61.25 2cg4 s ILE 130 Cb 0.11 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.41 2cg4 s ILE 130 CO 0.56 -0.00 1.57 -0.78 0.00 0.00 0.00 174.94 176.29 2cg4 h ASP 131 N 8.61 0.00 0.56 3.58 3.58 -1.89 -2.68 116.42 128.18 2cg4 h ASP 131 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2cg4 h ASP 131 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2cg4 h ASP 131 CO 0.94 0.51 0.00 -0.62 -2.88 0.00 0.00 179.24 177.19 2cg4 n GLU 132 N -3.42 0.19 -3.25 0.28 4.71 -1.26 -4.82 120.64 113.07 2cg4 n GLU 132 Ca 0.01 0.48 -0.41 0.00 -0.01 0.00 0.00 57.16 57.23 2cg4 n GLU 132 Cb 0.65 -1.91 -0.08 0.00 -1.01 0.00 0.00 31.44 29.09 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 -3.39 5.03 -0.07 -3.67 1.01 -1.01 -1.16 121.20 117.94 2cg4 s ILE 133 Ca 0.02 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 2cg4 s ILE 133 Cb 0.09 -3.93 -0.16 0.00 0.01 0.00 0.00 42.46 38.47 2cg4 s ILE 133 CO 0.35 -0.16 0.74 -0.61 0.00 0.00 0.00 174.94 175.26 2cg4 h GLN 134 N 8.40 -0.14 -2.98 2.79 4.15 -0.98 -3.46 115.11 122.89 2cg4 h GLN 134 Ca -0.28 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.06 2cg4 h GLN 134 Cb 1.13 0.03 -0.17 0.00 0.21 0.00 0.00 27.48 28.67 2cg4 h GLN 134 CO 0.76 0.35 -0.13 -1.54 -1.93 0.00 0.00 178.83 176.34 2cg4 s SER 135 N -5.63 -0.28 0.16 -0.69 1.04 -0.70 -5.03 113.70 102.58 2cg4 s SER 135 Ca -0.12 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.43 2cg4 s SER 135 Cb -0.00 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2cg4 s SER 135 CO 0.46 -0.61 -0.03 0.42 0.98 0.00 0.00 173.24 174.46 2cg4 s THR 136 N -2.16 3.62 -0.21 2.02 -4.23 -1.26 -0.53 115.64 112.89 2cg4 s THR 136 Ca -0.07 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2cg4 s THR 136 Cb -0.02 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.09 2cg4 s THR 136 CO -0.00 -0.07 0.04 -1.61 -0.54 0.00 0.00 174.62 172.44 2cg4 s GLU 137 N -2.80 0.71 -0.18 3.99 2.02 -0.00 -4.97 118.70 117.46 2cg4 s GLU 137 Ca 0.26 -0.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.63 2cg4 s GLU 137 Cb -0.10 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2cg4 s GLU 137 CO 0.17 -0.68 0.17 0.95 0.02 0.00 0.00 175.26 175.89 2cg4 s THR 138 N 1.81 5.39 -0.39 3.63 -4.23 -1.26 -0.21 115.64 120.38 2cg4 s THR 138 Ca -0.00 0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.65 2cg4 s THR 138 Cb -0.17 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.18 2cg4 s THR 138 CO -0.10 0.44 0.27 -0.76 -0.54 0.00 0.00 174.62 173.93 2cg4 s LEU 139 N 0.27 4.89 -0.09 4.79 1.02 0.35 -4.98 118.68 124.94 2cg4 s LEU 139 Ca 0.11 -0.82 -0.22 0.00 0.02 0.00 0.00 54.13 53.21 2cg4 s LEU 139 Cb -0.12 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2cg4 s LEU 139 CO -0.00 -0.39 0.66 -0.63 0.02 0.00 0.00 176.35 176.01 2cg4 s ILE 140 N 1.66 5.07 -0.09 -0.59 1.01 -1.26 -1.39 121.20 125.61 2cg4 s ILE 140 Ca 0.05 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 2cg4 s ILE 140 Cb -0.19 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2cg4 s ILE 140 CO 0.09 0.25 1.14 -0.69 0.00 0.00 0.00 174.94 175.73 2cg4 s VAL 141 N 0.86 4.45 -0.12 2.92 1.01 -0.27 -4.87 120.40 124.38 2cg4 s VAL 141 Ca 0.35 1.75 0.15 0.00 0.00 0.00 0.00 61.98 64.23 2cg4 s VAL 141 Cb -0.17 -4.13 -0.22 0.00 0.00 0.00 0.00 36.38 31.86 2cg4 s VAL 141 CO 0.16 -0.02 0.15 0.18 0.00 0.00 0.00 175.10 175.57 2cg4 n LEU 142 N 5.32 0.00 -3.75 3.92 4.77 -1.26 -4.60 117.00 121.40 2cg4 n LEU 142 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2cg4 n LEU 142 Cb 0.47 0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2cg4 n LEU 142 CO 0.54 0.27 0.05 -1.58 -1.33 0.00 0.00 177.39 175.34 2cg4 s GLN 143 N -2.63 0.44 -0.49 3.23 0.74 -1.26 -5.10 119.66 114.58 2cg4 s GLN 143 Ca -0.07 0.50 0.07 0.00 0.05 0.00 0.00 55.36 55.90 2cg4 s GLN 143 Cb 0.07 0.22 0.25 0.00 1.10 0.00 0.00 33.01 34.64 2cg4 s GLN 143 CO 0.67 -0.06 0.60 -1.71 -0.55 0.00 0.00 175.29 174.25 2cg4 n ASN 144 N 2.83 1.62 0.06 6.67 5.15 -1.26 -5.00 115.26 125.33 2cg4 n ASN 144 Ca -0.13 -2.99 -0.06 0.00 -0.60 0.00 0.00 54.58 50.80 2cg4 n ASN 144 Cb 0.57 -0.65 0.13 0.00 -0.53 0.00 0.00 39.78 39.30 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 4.14 0.33 -4.97 1.20 0.13 -2.05 -3.40 132.00 127.38 2cg4 h PRO 145 Ca 0.13 -0.20 -0.66 0.00 -0.87 0.00 0.00 66.00 64.40 2cg4 h PRO 145 Cb 0.79 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 31.68 2cg4 h PRO 145 CO 0.61 0.79 -0.69 0.42 -0.23 0.00 0.00 178.00 178.90 2cg4 s ILE 146 N -3.92 3.64 -0.13 -3.56 1.01 -1.26 -5.07 121.20 111.92 2cg4 s ILE 146 Ca -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2cg4 s ILE 146 Cb 0.12 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.96 2cg4 s ILE 146 CO 0.80 0.38 0.09 -0.04 0.00 0.00 0.00 174.94 176.18 2cg4 s MET 147 N 1.51 0.02 0.00 2.79 -1.94 -1.26 -5.14 119.30 115.29 2cg4 s MET 147 Ca 0.06 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 2cg4 s MET 147 Cb -0.15 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 35.37 2cg4 s MET 147 CO -0.01 -0.55 0.00 2.89 -0.01 0.00 0.00 175.02 177.34 2cg4 n ARG 148 N 5.29 0.00 -4.27 2.03 1.85 -1.26 -5.19 116.66 115.10 2cg4 n ARG 148 Ca -0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.62 2cg4 n ARG 148 Cb 0.49 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.80 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 -2.96 1.42 0.26 8.89 -1.32 -1.26 -5.11 115.64 115.57 2cg4 s THR 149 Ca 0.00 -1.93 -0.30 0.00 -1.21 0.00 0.00 61.69 58.25 2cg4 s THR 149 Cb 0.00 -1.75 -0.14 0.00 -1.51 0.00 0.00 72.50 69.11 2cg4 s THR 149 CO 0.00 -0.53 1.26 2.30 -2.21 0.00 0.00 174.62 175.44 2cg4 n ILE 150 N 0.14 1.39 -3.46 5.08 -5.35 -1.26 -4.96 119.36 110.94 2cg4 n ILE 150 Ca -0.12 -0.35 -0.42 0.00 -0.27 0.00 0.00 62.75 61.58 2cg4 n ILE 150 Cb 0.59 -1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 37.16 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 -0.97 3.55 0.00 6.28 3.01 -1.26 -5.14 119.74 125.22 2cg4 s LYS 151 Ca 0.64 -2.88 0.25 0.00 -1.01 0.00 0.00 55.97 52.97 2cg4 s LYS 151 Cb -0.68 -4.26 1.47 0.00 -1.01 0.00 0.00 37.83 33.36 2cg4 s LYS 151 CO 0.55 -1.25 1.83 -0.35 0.51 0.00 0.00 175.35 176.64