#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmj h ALA 21 N 0.00 1.40 0.00 4.61 0.00 -2.06 0.11 119.26 123.32 1gmj h ALA 21 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gmj h ALA 21 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1gmj h ALA 21 CO 0.00 0.49 0.00 0.34 0.00 0.00 0.00 179.25 180.08 1gmj n PHE 22 N -4.38 0.00 -0.05 0.00 7.35 -1.26 -2.70 117.46 116.42 1gmj n PHE 22 Ca 0.06 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.65 1gmj n PHE 22 Cb 0.10 -0.14 -0.15 0.00 0.35 0.00 0.00 39.48 39.64 1gmj n PHE 22 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1gmj n GLY 23 N 0.69 -0.93 0.11 7.13 0.00 0.36 -3.65 105.19 108.90 1gmj n GLY 23 Ca 0.15 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1gmj n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gmj h LYS 24 N 0.01 0.00 -0.21 1.61 1.57 -1.37 -2.93 116.57 115.24 1gmj h LYS 24 Ca -0.39 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 1gmj h LYS 24 Cb 2.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.39 1gmj h LYS 24 CO 0.06 0.00 -0.35 -0.09 -0.57 0.00 0.00 179.45 178.50 1gmj h ARG 25 N 0.00 0.61 0.22 3.15 2.43 -1.68 -1.25 114.38 117.86 1gmj h ARG 25 Ca 0.00 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1gmj h ARG 25 Cb 0.94 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1gmj h ARG 25 CO 0.00 0.98 -0.36 0.93 -1.51 0.00 0.00 179.97 180.01 1gmj h GLU 26 N 0.29 -0.63 -0.59 0.20 4.39 -1.63 0.49 114.58 117.10 1gmj h GLU 26 Ca 0.02 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.87 1gmj h GLU 26 Cb 0.94 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.65 1gmj h GLU 26 CO 0.08 -0.42 0.12 0.37 -1.16 0.00 0.00 179.01 178.00 1gmj h GLN 27 N -0.66 0.25 -0.39 2.33 4.15 -1.46 0.74 115.11 120.07 1gmj h GLN 27 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1gmj h GLN 27 Cb 0.65 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1gmj h GLN 27 CO -0.15 0.17 0.22 0.00 -1.93 0.00 0.00 178.83 177.13 1gmj h ALA 28 N 1.47 0.50 -0.14 3.38 0.00 -0.87 -0.11 119.26 123.49 1gmj h ALA 28 Ca 0.31 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1gmj h ALA 28 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1gmj h ALA 28 CO -0.39 0.02 -0.61 0.93 0.00 0.00 0.00 179.25 179.20 1gmj h GLU 29 N 0.50 0.49 -0.44 0.00 5.08 0.11 -1.25 114.58 119.07 1gmj h GLU 29 Ca 0.14 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1gmj h GLU 29 Cb 0.05 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1gmj h GLU 29 CO -0.02 0.95 -0.09 0.93 -1.00 0.00 0.00 179.01 179.78 1gmj h GLU 30 N 0.36 0.78 0.03 2.33 4.39 0.63 -0.31 114.58 122.79 1gmj h GLU 30 Ca -0.01 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1gmj h GLU 30 Cb 1.16 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1gmj h GLU 30 CO 0.11 0.85 -0.01 1.49 -1.16 0.00 0.00 179.01 180.28 1gmj h GLU 31 N 0.71 -0.04 -0.77 2.33 4.81 -0.76 -1.73 114.58 119.14 1gmj h GLU 31 Ca 0.12 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1gmj h GLU 31 Cb 0.57 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 1gmj h GLU 31 CO 0.03 0.19 0.46 0.00 -0.73 0.00 0.00 179.01 178.96 1gmj h ARG 32 N -0.26 0.84 0.22 1.92 3.08 -1.06 -0.84 114.38 118.27 1gmj h ARG 32 Ca -0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1gmj h ARG 32 Cb 0.24 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1gmj h ARG 32 CO 0.01 0.55 -0.34 -0.92 -1.07 0.00 0.00 179.97 178.20 1gmj h TYR 33 N 0.86 -0.92 -0.29 3.04 3.20 -0.79 -0.30 116.97 121.78 1gmj h TYR 33 Ca 0.33 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1gmj h TYR 33 Cb 0.14 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1gmj h TYR 33 CO -0.05 -0.46 0.00 0.74 -1.64 0.00 0.00 178.16 176.76 1gmj h PHE 34 N -0.63 0.45 -0.05 -3.82 -1.00 -0.91 -0.52 116.94 110.46 1gmj h PHE 34 Ca 0.01 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1gmj h PHE 34 Cb 0.61 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 1gmj h PHE 34 CO -0.25 0.45 0.01 0.00 -1.61 0.00 0.00 178.31 176.90 1gmj h ARG 35 N 0.42 0.09 -0.88 1.51 3.08 -0.86 -0.25 114.38 117.49 1gmj h ARG 35 Ca 0.10 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1gmj h ARG 35 Cb 0.28 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1gmj h ARG 35 CO 0.01 0.35 0.57 0.00 -1.07 0.00 0.00 179.97 179.82 1gmj h ALA 36 N 0.74 1.71 -0.21 0.04 0.00 -0.30 0.35 119.26 121.60 1gmj h ALA 36 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1gmj h ALA 36 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gmj h ALA 36 CO 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 179.25 179.02 1gmj h ARG 37 N 0.80 0.42 -0.39 0.00 2.47 -0.69 -0.84 114.38 116.16 1gmj h ARG 37 Ca 0.42 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.88 1gmj h ARG 37 Cb 0.52 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1gmj h ARG 37 CO -0.19 0.69 -0.11 0.00 0.56 0.00 0.00 179.97 180.92 1gmj h ALA 38 N 1.30 0.53 -0.12 0.04 0.00 0.81 -2.55 119.26 119.28 1gmj h ALA 38 Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1gmj h ALA 38 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1gmj h ALA 38 CO 0.06 0.41 -0.49 0.87 0.00 0.00 0.00 179.25 180.10 1gmj h LYS 39 N 0.56 0.32 -0.61 0.00 1.57 -0.92 -1.37 116.57 116.12 1gmj h LYS 39 Ca 0.10 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1gmj h LYS 39 Cb 0.64 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1gmj h LYS 39 CO 0.04 0.74 0.36 1.49 -0.57 0.00 0.00 179.45 181.51 1gmj h GLU 40 N 0.25 0.83 -0.33 3.15 4.81 -1.03 -0.28 114.58 121.98 1gmj h GLU 40 Ca 0.01 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1gmj h GLU 40 Cb 0.96 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1gmj h GLU 40 CO 0.08 0.61 0.06 1.96 -0.73 0.00 0.00 179.01 180.98 1gmj h GLN 41 N 0.82 0.55 -0.96 1.92 4.20 -1.19 -1.09 115.11 119.36 1gmj h GLN 41 Ca 0.22 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1gmj h GLN 41 Cb -0.00 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1gmj h GLN 41 CO -0.04 0.63 0.60 -0.07 -0.67 0.00 0.00 178.83 179.29 1gmj h LEU 42 N 0.38 1.14 -0.88 1.46 3.38 -1.10 -1.25 115.31 118.44 1gmj h LEU 42 Ca 0.10 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1gmj h LEU 42 Cb 0.35 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1gmj h LEU 42 CO 0.01 0.86 -0.13 0.00 0.09 0.00 0.00 178.44 179.26 1gmj h ALA 43 N 1.33 1.06 -0.46 1.53 0.00 -0.75 -1.20 119.26 120.77 1gmj h ALA 43 Ca 0.35 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1gmj h ALA 43 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1gmj h ALA 43 CO -0.07 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.60 1gmj h ALA 44 N 1.24 0.86 -0.45 0.00 0.00 -0.62 0.15 119.26 120.45 1gmj h ALA 44 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1gmj h ALA 44 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gmj h ALA 44 CO 0.04 0.64 0.10 -0.07 0.00 0.00 0.00 179.25 179.96 1gmj h LEU 45 N 0.78 0.69 -0.90 0.00 3.38 -0.87 -1.97 115.31 116.41 1gmj h LEU 45 Ca 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gmj h LEU 45 Cb 0.68 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1gmj h LEU 45 CO 0.05 0.75 0.53 0.11 0.09 0.00 0.00 178.44 179.97 1gmj h LYS 46 N 0.59 1.24 -0.58 1.13 1.57 -0.95 -2.05 116.57 117.52 1gmj h LYS 46 Ca 0.14 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1gmj h LYS 46 Cb 0.34 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1gmj h LYS 46 CO 0.00 0.88 0.28 -0.22 -0.57 0.00 0.00 179.45 179.82 1gmj h LYS 47 N 1.25 0.51 -0.51 3.15 3.64 -0.33 0.38 116.57 124.66 1gmj h LYS 47 Ca 0.32 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1gmj h LYS 47 Cb -0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1gmj h LYS 47 CO -0.06 0.34 0.24 1.25 -2.27 0.00 0.00 179.45 178.95 1gmj h HIS 48 N 0.52 0.74 -0.61 1.91 2.76 -0.77 -1.08 115.15 118.63 1gmj h HIS 48 Ca 0.27 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1gmj h HIS 48 Cb 0.22 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1gmj h HIS 48 CO -0.11 0.59 0.22 0.87 -1.30 0.00 0.00 177.93 178.20 1gmj h LYS 49 N 0.68 0.90 -0.41 5.26 1.79 -0.71 -1.41 116.57 122.67 1gmj h LYS 49 Ca 0.17 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1gmj h LYS 49 Cb 0.13 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1gmj h LYS 49 CO -0.02 0.76 -0.07 0.93 -1.08 0.00 0.00 179.45 179.97 1gmj h GLU 50 N 0.88 0.70 -0.26 3.15 4.39 -0.51 0.11 114.58 123.05 1gmj h GLU 50 Ca 0.20 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1gmj h GLU 50 Cb 0.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1gmj h GLU 50 CO -0.01 0.76 0.10 -0.97 -1.16 0.00 0.00 179.01 177.72 1gmj h ASN 51 N 0.64 0.36 -0.37 1.42 -1.24 -0.57 0.14 115.58 115.95 1gmj h ASN 51 Ca 0.12 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 1gmj h ASN 51 Cb 0.50 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1gmj h ASN 51 CO 0.03 0.43 0.21 -0.33 -1.29 0.00 0.00 177.43 176.47 1gmj h GLU 52 N 0.26 0.52 -0.67 6.67 5.08 -0.81 -0.54 114.58 125.10 1gmj h GLU 52 Ca 0.08 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1gmj h GLU 52 Cb 0.19 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1gmj h GLU 52 CO -0.01 0.42 0.38 0.82 -1.00 0.00 0.00 179.01 179.63 1gmj h ILE 53 N 0.48 0.99 -0.53 3.13 2.04 -0.58 -1.95 117.51 121.08 1gmj h ILE 53 Ca 0.13 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1gmj h ILE 53 Cb 0.05 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 1gmj h ILE 53 CO -0.02 0.13 0.18 -1.28 0.00 0.00 0.00 178.15 177.16 1gmj h SER 54 N 0.71 0.16 0.45 1.72 0.87 0.34 -1.10 113.55 116.71 1gmj h SER 54 Ca 0.29 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1gmj h SER 54 Cb 0.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1gmj h SER 54 CO -0.17 0.11 -0.22 -0.74 -0.53 0.00 0.00 176.83 175.29 1gmj h HIS 55 N 0.35 -0.57 -1.00 2.24 -0.00 -0.49 -1.51 115.15 114.17 1gmj h HIS 55 Ca 0.26 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.80 1gmj h HIS 55 Cb 0.31 0.19 -0.10 0.00 -0.00 0.00 0.00 27.41 27.80 1gmj h HIS 55 CO -0.17 -0.31 0.61 0.45 -0.00 0.00 0.00 177.93 178.51 1gmj h HIS 56 N -0.68 1.06 -0.42 5.26 -0.00 -1.05 0.32 115.15 119.64 1gmj h HIS 56 Ca -0.06 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1gmj h HIS 56 Cb 0.51 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1gmj h HIS 56 CO -0.03 0.25 0.12 0.00 -0.00 0.00 0.00 177.93 178.27 1gmj h ALA 57 N 1.64 0.55 -0.17 2.45 0.00 -0.93 -1.31 119.26 121.48 1gmj h ALA 57 Ca 0.57 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1gmj h ALA 57 Cb 0.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1gmj h ALA 57 CO -0.37 0.21 -0.05 -0.22 0.00 0.00 0.00 179.25 178.82 1gmj h LYS 58 N 0.53 -0.01 -0.55 0.00 3.64 0.07 -1.69 116.57 118.56 1gmj h LYS 58 Ca 0.13 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1gmj h LYS 58 Cb 0.29 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1gmj h LYS 58 CO -0.00 -0.01 0.26 0.93 -2.27 0.00 0.00 179.45 178.36 1gmj h GLU 59 N -0.01 0.48 -0.43 1.90 4.39 -0.98 -1.53 114.58 118.40 1gmj h GLU 59 Ca 0.08 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1gmj h GLU 59 Cb 0.14 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1gmj h GLU 59 CO -0.18 0.31 0.10 0.82 -1.16 0.00 0.00 179.01 178.91 1gmj h ILE 60 N 0.49 0.80 -0.73 3.13 2.04 -0.67 0.98 117.51 123.54 1gmj h ILE 60 Ca 0.25 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1gmj h ILE 60 Cb 0.20 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1gmj h ILE 60 CO -0.20 0.04 0.39 -0.08 0.00 0.00 0.00 178.15 178.31 1gmj h GLU 61 N 0.24 1.02 0.01 2.37 4.81 -0.68 0.40 114.58 122.75 1gmj h GLU 61 Ca 0.21 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1gmj h GLU 61 Cb 0.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1gmj h GLU 61 CO -0.26 0.75 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.68 1gmj h ARG 62 N 1.02 -0.01 -0.38 1.92 2.43 -0.32 -2.07 114.38 116.97 1gmj h ARG 62 Ca 0.26 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1gmj h ARG 62 Cb 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1gmj h ARG 62 CO -0.04 0.21 0.14 -0.07 -1.51 0.00 0.00 179.97 178.71 1gmj h LEU 63 N -0.24 0.48 -1.00 3.80 3.38 -0.39 -1.17 115.31 120.17 1gmj h LEU 63 Ca -0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1gmj h LEU 63 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1gmj h LEU 63 CO 0.00 0.45 -0.45 1.56 0.09 0.00 0.00 178.44 180.09 1gmj h GLN 64 N 0.54 0.00 -0.27 1.13 4.20 -0.75 -1.67 115.11 118.29 1gmj h GLN 64 Ca 0.13 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 1gmj h GLN 64 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1gmj h GLN 64 CO -0.01 0.45 -0.42 0.87 -0.67 0.00 0.00 178.83 179.05 1gmj h LYS 65 N 0.00 0.66 -0.31 1.46 1.57 -0.51 -0.91 116.57 118.53 1gmj h LYS 65 Ca -0.00 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1gmj h LYS 65 Cb 0.88 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1gmj h LYS 65 CO 0.06 0.95 0.11 0.93 -0.57 0.00 0.00 179.45 180.93 1gmj h GLU 66 N 0.53 0.47 -0.80 3.15 5.08 -1.09 -1.06 114.58 120.87 1gmj h GLU 66 Ca 0.04 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1gmj h GLU 66 Cb 0.95 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1gmj h GLU 66 CO 0.09 0.50 0.46 0.82 -1.00 0.00 0.00 179.01 179.88 1gmj h ILE 67 N 0.34 0.93 -0.52 3.13 2.04 -1.11 -0.59 117.51 121.74 1gmj h ILE 67 Ca 0.10 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1gmj h ILE 67 Cb 0.22 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1gmj h ILE 67 CO -0.01 0.14 0.31 -0.08 0.00 0.00 0.00 178.15 178.52 1gmj h GLU 68 N 0.79 0.61 -0.09 2.37 4.57 -0.64 0.18 114.58 122.38 1gmj h GLU 68 Ca 0.38 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 1gmj h GLU 68 Cb 0.31 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1gmj h GLU 68 CO -0.23 0.40 -0.02 0.00 -1.18 0.00 0.00 179.01 177.99 1gmj h ARG 69 N 0.63 0.01 -1.01 1.92 2.47 0.13 -0.78 114.38 117.76 1gmj h ARG 69 Ca 0.20 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1gmj h ARG 69 Cb 0.00 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1gmj h ARG 69 CO -0.08 0.01 0.67 0.45 0.56 0.00 0.00 179.97 181.57 1gmj h HIS 70 N 0.01 1.27 -0.38 3.04 3.86 -0.55 0.08 115.15 122.48 1gmj h HIS 70 Ca 0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1gmj h HIS 70 Cb 0.06 -0.43 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 1gmj h HIS 70 CO -0.13 0.79 0.09 0.87 0.86 0.00 0.00 177.93 180.40 1gmj h LYS 71 N 1.36 0.55 -0.00 2.45 1.57 -0.08 -0.91 116.57 121.51 1gmj h LYS 71 Ca 0.37 -0.09 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 1gmj h LYS 71 Cb -0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1gmj h LYS 71 CO -0.09 0.51 -0.92 -0.56 -0.57 0.00 0.00 179.45 177.82 1gmj h GLN 72 N 0.54 0.36 -0.32 3.15 3.07 -0.23 -2.17 115.11 119.52 1gmj h GLN 72 Ca 0.13 -0.38 0.01 0.00 0.09 0.00 0.00 58.65 58.50 1gmj h GLN 72 Cb 0.21 0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 1gmj h GLN 72 CO -0.00 1.06 0.18 0.77 0.09 0.00 0.00 178.83 180.93 1gmj h SER 73 N 0.20 0.29 0.00 0.06 0.02 -0.33 -1.64 113.55 112.16 1gmj h SER 73 Ca -0.07 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1gmj h SER 73 Cb 1.55 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 1gmj h SER 73 CO 0.15 0.21 -0.12 0.40 -1.14 0.00 0.00 176.83 176.34 1gmj h ILE 74 N 0.37 0.70 -0.58 3.27 2.04 -1.16 -1.27 117.51 120.88 1gmj h ILE 74 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.10 1gmj h ILE 74 Cb 0.00 0.70 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 1gmj h ILE 74 CO -0.06 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.60 1gmj h LYS 75 N -0.21 0.13 0.32 2.37 3.64 -1.06 0.40 116.57 122.15 1gmj h LYS 75 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1gmj h LYS 75 Cb 0.26 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1gmj h LYS 75 CO -0.12 0.08 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.62 1gmj h LYS 76 N 0.13 -0.62 -0.77 1.90 3.64 -0.91 -2.61 116.57 117.32 1gmj h LYS 76 Ca 0.30 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 1gmj h LYS 76 Cb 0.48 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1gmj h LYS 76 CO -0.48 -0.41 0.40 -0.07 -2.27 0.00 0.00 179.45 176.61 1gmj h LEU 77 N -0.65 0.51 -2.74 5.20 3.38 -0.05 -1.22 115.31 119.76 1gmj h LEU 77 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gmj h LEU 77 Cb 0.58 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1gmj h LEU 77 CO -0.05 0.27 -0.00 0.11 0.09 0.00 0.00 178.44 178.85 1gmj h LYS 78 N 0.64 0.00 -0.02 1.13 1.57 0.11 -3.51 116.57 116.48 1gmj h LYS 78 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1gmj h LYS 78 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1gmj h LYS 78 CO -0.30 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.63