#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmj h GLY 20 N 0.00 0.22 2.00 -0.02 0.00 -2.06 -3.11 103.07 100.10 1gmj h GLY 20 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1gmj h GLY 20 CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 176.54 177.03 1gmj n ALA 21 N -2.70 1.93 -0.03 3.60 0.00 -1.26 -2.39 120.51 119.66 1gmj n ALA 21 Ca -0.19 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1gmj n ALA 21 Cb 1.04 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1gmj n ALA 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1gmj h PHE 22 N 0.00 0.22 -0.71 0.00 3.57 -1.99 -1.77 116.94 116.27 1gmj h PHE 22 Ca 0.00 -0.12 0.11 0.00 3.53 0.00 0.00 57.97 61.49 1gmj h PHE 22 Cb 0.50 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1gmj h PHE 22 CO 0.00 0.93 0.30 0.78 -2.23 0.00 0.00 178.31 178.09 1gmj h GLY 23 N -0.54 1.05 0.32 2.40 0.00 -1.40 0.65 103.07 105.55 1gmj h GLY 23 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1gmj h GLY 23 CO 0.04 -0.03 -0.15 1.70 0.00 0.00 0.00 176.54 178.10 1gmj h LYS 24 N 0.49 -0.41 -1.12 4.80 3.64 -1.52 -3.03 116.57 119.42 1gmj h LYS 24 Ca 0.37 0.03 0.35 0.00 -1.27 0.00 0.00 60.65 60.12 1gmj h LYS 24 Cb 0.48 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.27 1gmj h LYS 24 CO -0.34 -0.28 0.70 -0.09 -2.27 0.00 0.00 179.45 177.17 1gmj h ARG 25 N -0.53 0.25 -0.75 1.90 2.43 -1.13 0.61 114.38 117.17 1gmj h ARG 25 Ca -0.04 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1gmj h ARG 25 Cb 0.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1gmj h ARG 25 CO 0.07 0.17 0.29 1.49 -1.51 0.00 0.00 179.97 180.48 1gmj h GLU 26 N 0.26 1.12 -0.05 0.20 4.81 -0.89 -1.48 114.58 118.56 1gmj h GLU 26 Ca 0.73 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.62 1gmj h GLU 26 Cb 1.94 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1gmj h GLU 26 CO -0.46 0.92 -0.58 1.96 -0.73 0.00 0.00 179.01 180.12 1gmj h GLN 27 N 1.09 0.15 -0.20 1.92 1.08 0.33 -1.02 115.11 118.47 1gmj h GLN 27 Ca 0.25 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.24 1gmj h GLN 27 Cb 0.22 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1gmj h GLN 27 CO -0.02 0.69 -0.37 0.00 -0.95 0.00 0.00 178.83 178.18 1gmj h ALA 28 N 1.29 1.01 -0.06 3.87 0.00 -0.93 -0.60 119.26 123.83 1gmj h ALA 28 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1gmj h ALA 28 Cb 1.06 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1gmj h ALA 28 CO 0.09 0.60 -0.91 0.93 0.00 0.00 0.00 179.25 179.95 1gmj h GLU 29 N 0.36 0.69 -0.51 0.00 5.08 -1.06 -2.01 114.58 117.13 1gmj h GLU 29 Ca 0.04 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1gmj h GLU 29 Cb 0.81 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1gmj h GLU 29 CO 0.07 1.26 0.29 0.93 -1.00 0.00 0.00 179.01 180.55 1gmj h GLU 30 N 0.43 0.71 -0.30 2.33 4.39 -1.06 0.23 114.58 121.31 1gmj h GLU 30 Ca -0.09 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1gmj h GLU 30 Cb 1.55 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 1gmj h GLU 30 CO 0.18 0.55 0.13 1.49 -1.16 0.00 0.00 179.01 180.20 1gmj h GLU 31 N 0.68 0.27 -0.67 2.33 4.81 -1.02 -0.66 114.58 120.33 1gmj h GLU 31 Ca 0.18 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1gmj h GLU 31 Cb 0.04 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1gmj h GLU 31 CO -0.03 0.18 0.23 0.00 -0.73 0.00 0.00 179.01 178.66 1gmj h ARG 32 N 0.28 1.02 0.09 1.92 3.08 -0.86 -1.45 114.38 118.47 1gmj h ARG 32 Ca 0.13 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1gmj h ARG 32 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1gmj h ARG 32 CO -0.11 0.87 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.57 1gmj h TYR 33 N 0.96 -0.45 -0.02 3.04 3.20 0.04 -0.94 116.97 122.81 1gmj h TYR 33 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1gmj h TYR 33 Cb 0.26 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1gmj h TYR 33 CO 0.02 -0.26 -0.38 0.74 -1.64 0.00 0.00 178.16 176.65 1gmj h PHE 34 N -0.33 0.04 0.01 -3.82 -1.00 -1.00 -1.37 116.94 109.47 1gmj h PHE 34 Ca 0.03 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1gmj h PHE 34 Cb 0.35 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1gmj h PHE 34 CO -0.18 0.41 -0.00 -0.09 -1.61 0.00 0.00 178.31 176.84 1gmj h ARG 35 N 0.03 -0.01 -0.76 1.51 2.43 -0.98 0.12 114.38 116.72 1gmj h ARG 35 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1gmj h ARG 35 Cb 0.68 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1gmj h ARG 35 CO 0.05 0.06 0.50 0.00 -1.51 0.00 0.00 179.97 179.07 1gmj h ALA 36 N 0.92 1.48 -0.43 2.80 0.00 -0.75 0.13 119.26 123.41 1gmj h ALA 36 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1gmj h ALA 36 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gmj h ALA 36 CO 0.00 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.74 1gmj h ARG 37 N 1.01 0.68 -0.02 0.00 2.47 -0.81 -0.01 114.38 117.69 1gmj h ARG 37 Ca 0.28 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1gmj h ARG 37 Cb -0.08 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.15 1gmj h ARG 37 CO -0.07 0.68 -0.00 0.00 0.56 0.00 0.00 179.97 181.14 1gmj h ALA 38 N 1.38 0.02 -0.21 0.04 0.00 0.98 -2.89 119.26 118.58 1gmj h ALA 38 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gmj h ALA 38 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1gmj h ALA 38 CO 0.01 -0.29 -0.03 0.87 0.00 0.00 0.00 179.25 179.81 1gmj h LYS 39 N -0.33 0.31 -0.60 0.00 1.57 -0.85 -0.78 116.57 115.88 1gmj h LYS 39 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1gmj h LYS 39 Cb 0.38 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1gmj h LYS 39 CO 0.00 0.36 0.32 1.49 -0.57 0.00 0.00 179.45 181.06 1gmj h GLU 40 N 0.30 0.85 -0.43 3.15 4.81 -0.92 -0.96 114.58 121.37 1gmj h GLU 40 Ca 0.07 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1gmj h GLU 40 Cb 0.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1gmj h GLU 40 CO 0.01 0.65 -0.21 1.96 -0.73 0.00 0.00 179.01 180.69 1gmj h GLN 41 N 0.82 0.86 -0.62 1.92 1.08 -1.13 -1.45 115.11 116.58 1gmj h GLN 41 Ca 0.21 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1gmj h GLN 41 Cb 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1gmj h GLN 41 CO -0.03 0.99 0.29 1.25 -0.95 0.00 0.00 178.83 180.38 1gmj h LEU 42 N 0.75 0.82 -0.74 1.46 5.85 -1.00 -1.15 115.31 121.30 1gmj h LEU 42 Ca 0.10 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1gmj h LEU 42 Cb 0.75 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1gmj h LEU 42 CO 0.06 0.73 0.09 0.00 -0.34 0.00 0.00 178.44 178.97 1gmj h ALA 43 N 1.12 0.95 -0.74 1.25 0.00 -0.92 -1.65 119.26 119.27 1gmj h ALA 43 Ca 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gmj h ALA 43 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1gmj h ALA 43 CO -0.03 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.21 1gmj h ALA 44 N 1.10 0.96 -0.24 0.00 0.00 -0.78 0.60 119.26 120.91 1gmj h ALA 44 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1gmj h ALA 44 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gmj h ALA 44 CO 0.01 0.54 0.09 -0.07 0.00 0.00 0.00 179.25 179.83 1gmj h LEU 45 N 1.05 0.35 -0.91 0.00 3.38 -0.88 -2.39 115.31 115.91 1gmj h LEU 45 Ca 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1gmj h LEU 45 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1gmj h LEU 45 CO -0.03 0.44 0.14 0.50 0.09 0.00 0.00 178.44 179.58 1gmj h LYS 46 N 0.24 0.94 0.10 1.13 1.63 -1.15 -1.86 116.57 117.61 1gmj h LYS 46 Ca 0.08 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1gmj h LYS 46 Cb 0.20 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1gmj h LYS 46 CO -0.00 0.84 -0.10 -0.22 -3.45 0.00 0.00 179.45 176.51 1gmj h LYS 47 N 0.90 -0.22 -0.15 1.90 3.64 -0.62 -0.47 116.57 121.55 1gmj h LYS 47 Ca 0.19 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1gmj h LYS 47 Cb 0.33 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1gmj h LYS 47 CO 0.00 -0.15 -0.27 0.45 -2.27 0.00 0.00 179.45 177.21 1gmj h HIS 48 N -0.23 0.31 0.67 1.91 3.86 -1.29 0.59 115.15 120.97 1gmj h HIS 48 Ca 0.01 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1gmj h HIS 48 Cb 0.22 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1gmj h HIS 48 CO -0.12 0.54 -0.32 -0.22 0.86 0.00 0.00 177.93 178.66 1gmj h LYS 49 N 0.25 -0.87 -0.99 2.45 3.64 -1.02 -0.38 116.57 119.65 1gmj h LYS 49 Ca 0.04 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1gmj h LYS 49 Cb 0.62 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 1gmj h LYS 49 CO 0.04 -0.55 0.63 0.93 -2.27 0.00 0.00 179.45 178.23 1gmj h GLU 50 N -0.98 1.03 -0.19 1.90 4.39 -0.93 -0.78 114.58 119.02 1gmj h GLU 50 Ca -0.09 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1gmj h GLU 50 Cb 0.71 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1gmj h GLU 50 CO 0.15 0.68 0.12 -0.91 -1.16 0.00 0.00 179.01 177.89 1gmj h ASN 51 N 1.06 0.23 -0.04 1.42 -0.26 -0.58 0.13 115.58 117.53 1gmj h ASN 51 Ca 0.46 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 56.18 1gmj h ASN 51 Cb 0.34 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1gmj h ASN 51 CO -0.21 0.21 -0.09 -0.33 -1.06 0.00 0.00 177.43 175.94 1gmj h GLU 52 N 0.23 -0.14 -0.56 0.81 4.39 -0.10 0.14 114.58 119.35 1gmj h GLU 52 Ca 0.07 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1gmj h GLU 52 Cb 0.02 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 1gmj h GLU 52 CO -0.01 -0.09 0.24 0.82 -1.16 0.00 0.00 179.01 178.80 1gmj h ILE 53 N -0.14 0.86 -0.35 3.13 2.04 -1.07 -1.71 117.51 120.27 1gmj h ILE 53 Ca 0.05 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1gmj h ILE 53 Cb 0.21 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1gmj h ILE 53 CO -0.13 0.08 0.16 -1.28 0.00 0.00 0.00 178.15 176.98 1gmj h SER 54 N 0.45 0.22 0.13 1.72 0.87 -0.13 -0.76 113.55 116.04 1gmj h SER 54 Ca 0.26 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1gmj h SER 54 Cb 0.26 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1gmj h SER 54 CO -0.24 0.17 -0.21 0.45 -0.53 0.00 0.00 176.83 176.47 1gmj h HIS 55 N 0.33 -0.55 -0.93 2.24 3.86 -0.12 -1.48 115.15 118.49 1gmj h HIS 55 Ca 0.15 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.50 1gmj h HIS 55 Cb 0.08 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 28.69 1gmj h HIS 55 CO -0.11 -0.30 0.55 0.45 0.86 0.00 0.00 177.93 179.38 1gmj h HIS 56 N -0.40 0.98 -0.28 2.45 -0.00 -0.89 -0.93 115.15 116.08 1gmj h HIS 56 Ca 0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1gmj h HIS 56 Cb 0.42 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1gmj h HIS 56 CO -0.19 0.33 0.11 0.00 -0.00 0.00 0.00 177.93 178.18 1gmj h ALA 57 N 1.55 0.37 -0.74 2.45 0.00 -0.76 -0.67 119.26 121.46 1gmj h ALA 57 Ca 0.48 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1gmj h ALA 57 Cb 0.57 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1gmj h ALA 57 CO -0.31 -0.03 0.42 -0.22 0.00 0.00 0.00 179.25 179.11 1gmj h LYS 58 N 0.31 0.72 -0.26 0.00 3.64 -0.21 -0.95 116.57 119.83 1gmj h LYS 58 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1gmj h LYS 58 Cb 0.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1gmj h LYS 58 CO -0.01 0.48 0.16 1.49 -2.27 0.00 0.00 179.45 179.30 1gmj h GLU 59 N 0.74 0.35 -0.51 1.90 4.57 -0.90 -1.51 114.58 119.22 1gmj h GLU 59 Ca 0.34 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.56 1gmj h GLU 59 Cb 0.25 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 1gmj h GLU 59 CO -0.21 0.27 0.19 0.82 -1.18 0.00 0.00 179.01 178.90 1gmj h ILE 60 N 0.32 0.83 -0.70 2.32 2.04 -0.05 0.23 117.51 122.50 1gmj h ILE 60 Ca 0.09 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gmj h ILE 60 Cb 0.01 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1gmj h ILE 60 CO -0.02 0.07 0.40 -0.08 0.00 0.00 0.00 178.15 178.52 1gmj h GLU 61 N 0.37 0.97 -0.29 2.37 4.81 -0.86 0.95 114.58 122.90 1gmj h GLU 61 Ca 0.25 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1gmj h GLU 61 Cb 0.26 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1gmj h GLU 61 CO -0.25 0.71 0.18 -0.09 -0.73 0.00 0.00 179.01 178.83 1gmj h ARG 62 N 0.96 0.39 -0.48 1.92 2.43 -0.38 -1.82 114.38 117.40 1gmj h ARG 62 Ca 0.25 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1gmj h ARG 62 Cb 0.01 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1gmj h ARG 62 CO -0.04 0.30 0.05 -0.07 -1.51 0.00 0.00 179.97 178.70 1gmj h LEU 63 N 0.38 0.72 -1.35 3.80 3.38 -0.46 -2.29 115.31 119.48 1gmj h LEU 63 Ca 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1gmj h LEU 63 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1gmj h LEU 63 CO -0.02 0.75 -0.29 1.56 0.09 0.00 0.00 178.44 180.54 1gmj h GLN 64 N 0.72 0.00 -0.08 1.13 4.20 -0.40 -1.71 115.11 118.98 1gmj h GLN 64 Ca 0.15 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1gmj h GLN 64 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1gmj h GLN 64 CO 0.01 0.29 -0.74 0.87 -0.67 0.00 0.00 178.83 178.59 1gmj h LYS 65 N 0.00 0.42 -0.53 1.46 1.57 -0.78 -1.34 116.57 117.36 1gmj h LYS 65 Ca -0.00 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 1gmj h LYS 65 Cb 0.63 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1gmj h LYS 65 CO 0.04 0.99 0.17 0.93 -0.57 0.00 0.00 179.45 181.00 1gmj h GLU 66 N 0.28 0.82 -0.73 3.15 5.08 -1.08 -0.84 114.58 121.26 1gmj h GLU 66 Ca -0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1gmj h GLU 66 Cb 1.32 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1gmj h GLU 66 CO 0.13 0.75 0.47 0.82 -1.00 0.00 0.00 179.01 180.17 1gmj h ILE 67 N 0.72 1.20 -0.76 3.13 2.04 -1.21 -1.19 117.51 121.45 1gmj h ILE 67 Ca 0.17 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1gmj h ILE 67 Cb 0.27 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1gmj h ILE 67 CO -0.01 0.20 0.47 -0.08 0.00 0.00 0.00 178.15 178.73 1gmj h GLU 68 N 1.00 0.87 0.06 2.37 4.57 -0.62 0.18 114.58 123.02 1gmj h GLU 68 Ca 0.27 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1gmj h GLU 68 Cb -0.08 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 1gmj h GLU 68 CO -0.05 0.58 -0.10 0.00 -1.18 0.00 0.00 179.01 178.25 1gmj h ARG 69 N 0.90 -0.20 -0.63 1.92 3.08 -0.30 -1.36 114.38 117.78 1gmj h ARG 69 Ca 0.31 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.41 1gmj h ARG 69 Cb 0.06 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1gmj h ARG 69 CO -0.13 -0.14 0.38 0.45 -1.07 0.00 0.00 179.97 179.46 1gmj h HIS 70 N -0.21 0.71 -0.51 3.04 3.86 -0.49 -0.24 115.15 121.30 1gmj h HIS 70 Ca 0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1gmj h HIS 70 Cb 0.23 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1gmj h HIS 70 CO -0.14 0.39 0.34 0.87 0.86 0.00 0.00 177.93 180.25 1gmj h LYS 71 N 0.74 0.64 -0.23 2.45 1.57 -0.34 -0.56 116.57 120.85 1gmj h LYS 71 Ca 0.26 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.80 1gmj h LYS 71 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1gmj h LYS 71 CO -0.11 0.43 -0.62 1.96 -0.57 0.00 0.00 179.45 180.53 1gmj h GLN 72 N 0.66 0.80 -0.50 3.15 1.08 -0.30 -2.04 115.11 117.96 1gmj h GLN 72 Ca 0.19 -0.55 0.04 0.00 -1.45 0.00 0.00 58.65 56.88 1gmj h GLN 72 Cb -0.04 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 1gmj h GLN 72 CO -0.04 1.17 0.26 0.77 -0.95 0.00 0.00 178.83 180.04 1gmj h SER 73 N 0.59 0.39 0.19 1.46 0.02 -0.13 -1.18 113.55 114.89 1gmj h SER 73 Ca -0.01 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1gmj h SER 73 Cb 1.23 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1gmj h SER 73 CO 0.13 0.27 -0.13 0.40 -1.14 0.00 0.00 176.83 176.36 1gmj h ILE 74 N 0.51 0.71 -0.73 3.27 2.04 -1.04 -0.99 117.51 121.28 1gmj h ILE 74 Ca 0.21 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.24 1gmj h ILE 74 Cb 0.11 0.71 -0.12 0.00 -0.74 0.00 0.00 36.82 36.78 1gmj h ILE 74 CO -0.14 0.00 0.10 0.50 0.00 0.00 0.00 178.15 178.61 1gmj h LYS 75 N -0.32 0.19 0.64 2.37 1.63 -0.99 0.31 116.57 120.40 1gmj h LYS 75 Ca -0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1gmj h LYS 75 Cb 0.28 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1gmj h LYS 75 CO 0.00 0.12 -0.31 -0.22 -3.45 0.00 0.00 179.45 175.59 1gmj h LYS 76 N 0.19 -0.83 -1.01 1.90 3.64 -0.89 -2.16 116.57 117.41 1gmj h LYS 76 Ca 0.41 0.06 0.27 0.00 -1.27 0.00 0.00 60.65 60.11 1gmj h LYS 76 Cb 0.72 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.60 1gmj h LYS 76 CO -0.57 -0.56 0.60 -0.07 -2.27 0.00 0.00 179.45 176.59 1gmj h LEU 77 N -0.87 0.62 -0.85 5.20 3.38 -0.27 0.32 115.31 122.84 1gmj h LEU 77 Ca -0.09 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1gmj h LEU 77 Cb 0.66 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1gmj h LEU 77 CO 0.15 0.05 -0.33 0.11 0.09 0.00 0.00 178.44 178.51 1gmj h LYS 78 N 0.51 0.47 0.10 1.13 1.57 -0.32 -1.52 116.57 118.50 1gmj h LYS 78 Ca 0.66 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1gmj h LYS 78 Cb 1.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1gmj h LYS 78 CO -0.49 0.74 -0.05 0.37 -0.57 0.00 0.00 179.45 179.45 1gmj h GLN 79 N 0.40 -0.13 -0.23 3.15 4.15 0.26 -1.61 115.11 121.09 1gmj h GLN 79 Ca 0.05 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.54 1gmj h GLN 79 Cb 0.77 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1gmj h GLN 79 CO 0.06 0.35 0.17 0.66 -1.93 0.00 0.00 178.83 178.13 1gmj h SER 80 N -0.68 0.02 0.23 -0.69 4.64 -1.24 0.87 113.55 116.69 1gmj h SER 80 Ca -0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1gmj h SER 80 Cb 0.53 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1gmj h SER 80 CO 0.02 0.01 -0.94 -0.08 -0.87 0.00 0.00 176.83 174.98 1gmj h GLU 81 N 0.03 0.50 0.00 4.77 4.81 -1.21 -2.82 114.58 120.66 1gmj h GLU 81 Ca 0.11 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1gmj h GLU 81 Cb 0.41 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1gmj h GLU 81 CO -0.00 1.16 0.00 -3.47 -0.73 0.00 0.00 179.01 175.96 1gmj n ASP 82 N -3.79 0.60 -0.26 1.04 4.64 -0.04 -5.10 116.55 113.65 1gmj n ASP 82 Ca -0.08 0.61 0.15 0.00 -1.38 0.00 0.00 54.79 54.09 1gmj n ASP 82 Cb 0.83 -0.75 0.72 0.00 -1.04 0.00 0.00 41.12 40.88 1gmj n ASP 82 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85