#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjf s SER 2 N 0.00 5.08 0.28 1.61 0.01 -1.26 -4.84 113.70 114.58 2gjf s SER 2 Ca 0.00 -3.02 0.03 0.00 1.31 0.00 0.00 55.95 54.27 2gjf s SER 2 Cb 0.00 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 2gjf s SER 2 CO 0.00 -0.31 0.43 -0.54 0.41 0.00 0.00 173.24 173.23 2gjf s LYS 3 N -0.31 3.46 -0.33 12.44 1.02 -1.26 -4.86 119.74 129.90 2gjf s LYS 3 Ca 0.18 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 2gjf s LYS 3 Cb -0.20 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2gjf s LYS 3 CO -0.04 0.33 0.21 0.99 -0.92 0.00 0.00 175.35 175.92 2gjf s THR 4 N -2.10 5.09 -0.33 2.17 2.01 -1.00 -3.81 115.64 117.67 2gjf s THR 4 Ca 0.36 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 2gjf s THR 4 Cb -0.09 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2gjf s THR 4 CO 0.32 0.03 0.42 -0.63 -0.69 0.00 0.00 174.62 174.06 2gjf s ILE 5 N 1.69 5.11 -0.34 1.82 1.01 0.48 -0.95 121.20 130.03 2gjf s ILE 5 Ca 0.06 0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 2gjf s ILE 5 Cb -0.17 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2gjf s ILE 5 CO 0.09 -0.10 0.25 -0.36 0.00 0.00 0.00 174.94 174.82 2gjf s PHE 6 N 2.16 3.23 -0.35 3.97 0.40 0.86 -0.07 117.98 128.19 2gjf s PHE 6 Ca 0.15 -0.21 -0.07 0.00 -0.60 0.00 0.00 56.93 56.19 2gjf s PHE 6 Cb -0.16 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 40.92 2gjf s PHE 6 CO 0.12 -0.37 0.13 0.08 0.70 0.00 0.00 175.22 175.88 2gjf s VAL 7 N 1.73 3.92 -0.06 -0.44 1.01 -0.37 -0.23 120.40 125.96 2gjf s VAL 7 Ca 0.06 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2gjf s VAL 7 Cb -0.17 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2gjf s VAL 7 CO 0.11 -0.21 0.07 -0.63 0.00 0.00 0.00 175.10 174.44 2gjf s ILE 8 N 1.42 4.80 -0.37 2.22 1.01 0.32 -0.09 121.20 130.52 2gjf s ILE 8 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2gjf s ILE 8 Cb -0.20 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.27 2gjf s ILE 8 CO 0.03 0.50 0.14 -0.69 0.00 0.00 0.00 174.94 174.92 2gjf s VAL 9 N -1.05 1.38 0.46 2.92 1.01 -0.85 -0.13 120.40 124.14 2gjf s VAL 9 Ca 0.18 -2.02 -0.23 0.00 0.00 0.00 0.00 61.98 59.91 2gjf s VAL 9 Cb -0.12 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 2gjf s VAL 9 CO 0.08 -0.74 1.16 -2.16 0.00 0.00 0.00 175.10 173.44 2gjf s PRO 10 N 1.00 3.74 -0.07 2.72 0.04 -1.26 -4.46 135.00 136.71 2gjf s PRO 10 Ca 0.13 1.77 0.15 0.00 0.04 0.00 0.00 61.00 63.09 2gjf s PRO 10 Cb -0.20 -2.39 0.31 0.00 0.04 0.00 0.00 34.50 32.25 2gjf s PRO 10 CO -0.13 -0.56 1.14 0.25 0.04 0.00 0.00 177.00 177.74 2gjf n THR 11 N -0.52 0.86 -3.60 1.26 -2.24 -1.26 0.01 114.28 108.79 2gjf n THR 11 Ca 0.07 -1.55 -0.03 0.00 -2.27 0.00 0.00 64.05 60.28 2gjf n THR 11 Cb 0.48 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2gjf n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gjf s ASN 12 N -2.23 -0.12 0.41 3.42 2.47 -1.26 -4.98 114.94 112.66 2gjf s ASN 12 Ca 0.27 -0.04 0.12 0.00 0.42 0.00 0.00 52.86 53.63 2gjf s ASN 12 Cb 0.28 0.16 0.96 0.00 -1.45 0.00 0.00 41.25 41.20 2gjf s ASN 12 CO -0.07 -0.27 1.95 1.05 -3.72 0.00 0.00 177.10 176.04 2gjf h GLU 13 N 2.00 0.48 -0.16 0.43 4.11 -1.98 -0.94 114.58 118.52 2gjf h GLU 13 Ca -0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.24 2gjf h GLU 13 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2gjf h GLU 13 CO 0.24 0.32 0.06 1.49 0.07 0.00 0.00 179.01 181.19 2gjf h GLU 14 N 0.50 0.25 -0.31 1.06 4.57 -1.98 0.28 114.58 118.94 2gjf h GLU 14 Ca 0.32 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 2gjf h GLU 14 Cb 0.57 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2gjf h GLU 14 CO -0.10 0.34 0.08 1.96 -1.18 0.00 0.00 179.01 180.11 2gjf h GLN 15 N 0.10 0.50 0.32 1.92 4.20 -1.72 -0.48 115.11 119.95 2gjf h GLN 15 Ca 0.05 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2gjf h GLN 15 Cb 0.19 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2gjf h GLN 15 CO -0.00 0.56 -0.15 0.28 -0.67 0.00 0.00 178.83 178.84 2gjf h VAL 16 N 0.35 0.70 -0.89 -0.54 2.07 -1.14 0.32 116.25 117.12 2gjf h VAL 16 Ca 0.10 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.31 2gjf h VAL 16 Cb 0.28 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2gjf h VAL 16 CO -0.00 0.08 0.58 0.00 0.02 0.00 0.00 177.57 178.25 2gjf h ALA 17 N -0.05 1.60 -0.12 1.67 0.00 -0.46 0.22 119.26 122.12 2gjf h ALA 17 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2gjf h ALA 17 Cb 0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2gjf h ALA 17 CO 0.07 0.23 -0.10 0.35 0.00 0.00 0.00 179.25 179.81 2gjf h PHE 18 N 0.93 0.32 -0.45 0.00 3.04 -0.96 0.94 116.94 120.76 2gjf h PHE 18 Ca 0.41 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 62.24 2gjf h PHE 18 Cb 0.35 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 2gjf h PHE 18 CO -0.00 0.66 0.18 -0.07 -2.02 0.00 0.00 178.31 177.06 2gjf h LEU 19 N -0.12 0.62 -0.89 0.59 3.38 -0.37 -1.44 115.31 117.08 2gjf h LEU 19 Ca 0.02 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2gjf h LEU 19 Cb 0.60 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2gjf h LEU 19 CO 0.03 0.62 -0.52 1.05 0.09 0.00 0.00 178.44 179.70 2gjf h GLU 20 N 0.58 0.10 -0.02 1.13 4.11 -0.61 -2.40 114.58 117.46 2gjf h GLU 20 Ca 0.15 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2gjf h GLU 20 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2gjf h GLU 20 CO -0.01 0.59 -0.00 0.00 0.07 0.00 0.00 179.01 179.66 2gjf h ALA 21 N 1.40 0.02 -0.06 1.06 0.00 -0.46 -3.05 119.26 118.17 2gjf h ALA 21 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2gjf h ALA 21 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2gjf h ALA 21 CO 0.07 -0.30 -0.23 1.37 0.00 0.00 0.00 179.25 180.16 2gjf h LEU 22 N -0.30 0.09 -2.00 0.00 8.10 -1.27 -2.45 115.31 117.48 2gjf h LEU 22 Ca 0.00 -0.02 0.15 0.00 0.11 0.00 0.00 57.88 58.12 2gjf h LEU 22 Cb 0.35 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.52 2gjf h LEU 22 CO 0.00 0.33 0.37 0.00 -4.11 0.00 0.00 178.44 175.04 2gjf h ALA 23 N 1.68 2.49 0.00 0.17 0.00 -1.31 0.26 119.26 122.55 2gjf h ALA 23 Ca 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2gjf h ALA 23 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2gjf h ALA 23 CO 0.03 -0.64 -0.23 0.87 0.00 0.00 0.00 179.25 179.28 2gjf h LYS 24 N 0.00 0.00 -5.53 0.00 1.57 -1.47 -3.42 116.57 107.73 2gjf h LYS 24 Ca 0.25 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.60 2gjf h LYS 24 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2gjf h LYS 24 CO -0.00 0.23 1.51 1.04 -0.57 0.00 0.00 179.45 181.65 2gjf n GLN 25 N -3.65 0.89 0.20 3.15 6.02 0.92 -4.76 117.38 120.16 2gjf n GLN 25 Ca -0.01 -0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.04 2gjf n GLN 25 Cb 0.35 -3.28 0.53 0.00 1.02 0.00 0.00 30.24 28.86 2gjf n GLN 25 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2gjf h ASP 26 N 18.31 0.00 0.54 1.08 1.82 -1.86 -2.85 116.42 133.46 2gjf h ASP 26 Ca -0.20 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2gjf h ASP 26 Cb 1.25 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 2gjf h ASP 26 CO 1.17 0.00 -0.11 1.05 -1.61 0.00 0.00 179.24 179.74 2gjf h GLU 27 N 0.00 0.00 -0.11 0.28 4.11 -1.96 -2.90 114.58 114.00 2gjf h GLU 27 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2gjf h GLU 27 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2gjf h GLU 27 CO 0.00 0.11 -0.17 -0.07 0.07 0.00 0.00 179.01 178.95 2gjf h LEU 28 N 0.00 0.34 1.47 3.06 3.38 -1.88 -3.47 115.31 118.21 2gjf h LEU 28 Ca -0.00 -0.53 -0.33 0.00 0.09 0.00 0.00 57.88 57.11 2gjf h LEU 28 Cb 0.41 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2gjf h LEU 28 CO 0.01 0.80 -0.47 -3.20 0.09 0.00 0.00 178.44 175.68 2gjf n ASN 29 N -4.56 -5.16 -3.14 -0.43 5.15 -1.10 -5.00 115.26 101.02 2gjf n ASN 29 Ca -0.07 -0.14 -0.18 0.00 -0.60 0.00 0.00 54.58 53.60 2gjf n ASN 29 Cb 0.38 -4.12 0.13 0.00 -0.53 0.00 0.00 39.78 35.65 2gjf n ASN 29 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2gjf n PHE 30 N -4.16 -3.87 -3.87 1.20 3.72 -1.26 -5.02 117.46 104.19 2gjf n PHE 30 Ca -0.14 -0.68 -0.30 0.00 -0.05 0.00 0.00 57.45 56.28 2gjf n PHE 30 Cb 0.62 -0.64 -0.14 0.00 -0.94 0.00 0.00 39.48 38.38 2gjf n PHE 30 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2gjf s ASP 31 N -3.75 4.26 0.16 4.37 1.11 -0.89 -4.99 116.67 116.94 2gjf s ASP 31 Ca 0.45 -2.32 -0.29 0.00 0.18 0.00 0.00 52.55 50.57 2gjf s ASP 31 Cb -0.02 -1.32 -0.07 0.00 1.07 0.00 0.00 42.92 42.57 2gjf s ASP 31 CO 0.32 -0.33 0.91 0.26 1.18 0.00 0.00 175.17 177.50 2gjf s TRP 32 N 0.70 3.88 -0.16 4.23 0.52 -1.26 -0.69 118.94 126.16 2gjf s TRP 32 Ca 0.13 1.78 -0.09 0.00 0.02 0.00 0.00 56.10 57.95 2gjf s TRP 32 Cb -0.21 -2.96 -0.23 0.00 -1.15 0.00 0.00 33.47 28.92 2gjf s TRP 32 CO -0.09 0.35 0.23 1.04 0.02 0.00 0.00 176.95 178.50 2gjf n GLN 33 N 2.16 0.70 -4.07 4.98 1.13 -0.62 -4.99 117.38 116.68 2gjf n GLN 33 Ca -0.01 0.31 -0.12 0.00 -1.94 0.00 0.00 57.00 55.25 2gjf n GLN 33 Cb 0.48 -1.68 -0.11 0.00 0.11 0.00 0.00 30.24 29.04 2gjf n GLN 33 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2gjf s ASN 34 N -6.97 0.80 -0.13 1.08 2.20 -1.26 -5.02 114.94 105.64 2gjf s ASN 34 Ca -0.26 -0.64 -0.29 0.00 -0.94 0.00 0.00 52.86 50.72 2gjf s ASN 34 Cb 0.07 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.35 2gjf s ASN 34 CO 0.70 -0.28 1.54 -2.16 -2.94 0.00 0.00 177.10 173.96 2gjf s PRO 35 N -2.06 4.08 -1.12 3.55 0.04 -1.26 -4.81 135.00 133.42 2gjf s PRO 35 Ca -0.06 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2gjf s PRO 35 Cb -0.07 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.43 2gjf s PRO 35 CO -0.01 -0.94 1.93 -0.35 0.04 0.00 0.00 177.00 177.67 2gjf n PRO 36 N 7.16 1.57 0.00 0.56 -0.04 -1.26 -4.23 135.00 138.76 2gjf n PRO 36 Ca 0.17 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 2gjf n PRO 36 Cb 0.44 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 2gjf n PRO 36 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gjf n THR 37 N 7.56 0.00 -2.89 0.52 -1.04 -1.26 -4.31 114.28 112.85 2gjf n THR 37 Ca 0.46 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.05 2gjf n THR 37 Cb 0.46 -0.39 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 2gjf n THR 37 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2gjf s GLU 38 N -1.61 4.01 0.18 -2.82 8.01 -1.26 -5.02 118.70 120.19 2gjf s GLU 38 Ca 0.00 0.71 -0.30 0.00 0.01 0.00 0.00 54.97 55.39 2gjf s GLU 38 Cb 0.00 -3.72 -0.08 0.00 -4.31 0.00 0.00 34.13 26.02 2gjf s GLU 38 CO 0.00 -0.68 1.32 -1.25 0.01 0.00 0.00 175.26 174.65 2gjf s PRO 39 N 3.03 4.38 0.00 0.39 0.04 -1.26 -2.82 135.00 138.76 2gjf s PRO 39 Ca 0.34 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2gjf s PRO 39 Cb -0.14 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2gjf s PRO 39 CO 0.12 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2gjf n GLY 40 N 2.58 0.79 3.78 0.56 0.00 0.10 -4.98 105.19 108.01 2gjf n GLY 40 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2gjf n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gjf s GLN 41 N -0.71 4.25 -0.58 1.61 0.74 -1.13 -4.88 119.66 118.96 2gjf s GLN 41 Ca 0.00 0.68 -0.27 0.00 0.05 0.00 0.00 55.36 55.83 2gjf s GLN 41 Cb 0.00 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 2gjf s GLN 41 CO 0.00 0.46 1.84 -1.25 -0.55 0.00 0.00 175.29 175.80 2gjf s PRO 42 N -0.48 2.71 -0.32 1.67 0.04 -1.26 -4.37 135.00 132.98 2gjf s PRO 42 Ca 0.29 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.77 2gjf s PRO 42 Cb -0.18 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2gjf s PRO 42 CO 0.17 -2.64 0.82 0.08 0.04 0.00 0.00 177.00 175.47 2gjf s VAL 43 N 8.81 4.75 -0.04 -0.36 1.01 0.81 -4.92 120.40 130.47 2gjf s VAL 43 Ca 0.68 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 2gjf s VAL 43 Cb -0.13 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2gjf s VAL 43 CO 0.22 -0.31 0.39 -0.69 0.00 0.00 0.00 175.10 174.70 2gjf s VAL 44 N 3.07 5.10 -0.16 2.92 1.01 -1.26 -0.52 120.40 130.56 2gjf s VAL 44 Ca 0.34 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 2gjf s VAL 44 Cb -0.14 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2gjf s VAL 44 CO 0.14 0.53 0.17 -0.63 0.00 0.00 0.00 175.10 175.31 2gjf s ILE 45 N -0.73 -0.25 -0.58 2.22 1.01 0.68 -1.59 121.20 121.97 2gjf s ILE 45 Ca 0.23 -0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 2gjf s ILE 45 Cb -0.16 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.80 2gjf s ILE 45 CO 0.11 -0.13 1.11 -0.76 0.00 0.00 0.00 174.94 175.27 2gjf s LEU 46 N 2.27 3.68 0.16 2.97 1.02 0.13 -0.09 118.68 128.81 2gjf s LEU 46 Ca 0.05 -0.12 0.10 0.00 0.02 0.00 0.00 54.13 54.18 2gjf s LEU 46 Cb -0.15 -2.99 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 2gjf s LEU 46 CO -0.10 -1.42 -0.20 0.27 0.02 0.00 0.00 176.35 174.93 2gjf s ILE 47 N 4.64 2.66 0.74 -0.59 -4.36 -0.12 -2.09 121.20 122.07 2gjf s ILE 47 Ca 0.37 -1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 2gjf s ILE 47 Cb -0.09 -2.25 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2gjf s ILE 47 CO 0.22 -0.02 1.10 -2.16 0.24 0.00 0.00 174.94 174.32 2gjf s PRO 48 N -2.44 2.41 0.33 0.37 0.04 -1.26 -2.37 135.00 132.09 2gjf s PRO 48 Ca 0.20 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.72 2gjf s PRO 48 Cb -0.09 -1.91 1.18 0.00 0.04 0.00 0.00 34.50 33.72 2gjf s PRO 48 CO 0.10 -1.53 1.75 0.66 0.04 0.00 0.00 177.00 178.02 2gjf h SER 49 N -0.79 0.00 -0.22 6.66 4.64 -1.91 -0.52 113.55 121.42 2gjf h SER 49 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2gjf h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2gjf h SER 49 CO 0.52 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.95 2gjf n ASP 50 N -2.35 1.60 0.00 4.97 8.00 -1.26 -3.61 116.55 123.89 2gjf n ASP 50 Ca 0.00 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2gjf n ASP 50 Cb 0.13 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2gjf n ASP 50 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2gjf n MET 51 N 0.31 0.58 -0.02 -1.24 2.81 -0.22 -4.81 117.12 114.53 2gjf n MET 51 Ca 0.14 -0.63 -0.13 0.00 -1.81 0.00 0.00 57.70 55.27 2gjf n MET 51 Cb 0.29 -0.64 -0.01 0.00 -0.71 0.00 0.00 33.22 32.16 2gjf n MET 51 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 2gjf h VAL 52 N 1.85 1.30 -0.50 2.03 -1.51 -1.57 -2.63 116.25 115.23 2gjf h VAL 52 Ca 0.00 -1.88 -0.11 0.00 -1.23 0.00 0.00 66.70 63.48 2gjf h VAL 52 Cb 0.75 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.73 2gjf h VAL 52 CO 0.00 0.59 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.48 2gjf h GLU 53 N 0.50 0.97 0.19 5.19 5.08 -1.87 -0.25 114.58 124.38 2gjf h GLU 53 Ca -0.01 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2gjf h GLU 53 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2gjf h GLU 53 CO 0.13 1.04 -0.09 2.35 -1.00 0.00 0.00 179.01 181.44 2gjf h TRP 54 N 0.83 -0.23 -0.65 4.33 7.01 -1.88 -1.59 115.95 123.76 2gjf h TRP 54 Ca 0.13 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 2gjf h TRP 54 Cb 0.69 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.80 2gjf h TRP 54 CO 0.05 -0.02 0.19 0.35 -2.79 0.00 0.00 178.44 176.22 2gjf h PHE 55 N -0.40 1.02 0.36 2.65 3.04 -1.47 0.51 116.94 122.64 2gjf h PHE 55 Ca -0.03 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 2gjf h PHE 55 Cb 0.31 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2gjf h PHE 55 CO -0.02 0.82 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.80 2gjf h LEU 56 N 0.96 -0.55 -1.22 0.59 3.38 -0.91 0.10 115.31 117.67 2gjf h LEU 56 Ca 0.21 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2gjf h LEU 56 Cb 0.28 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2gjf h LEU 56 CO -0.01 -0.35 -0.37 -0.33 0.09 0.00 0.00 178.44 177.47 2gjf h GLU 57 N -0.55 0.00 0.21 1.13 5.08 -1.20 -0.53 114.58 118.73 2gjf h GLU 57 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2gjf h GLU 57 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2gjf h GLU 57 CO 0.04 0.37 -0.10 1.98 -1.00 0.00 0.00 179.01 180.30 2gjf h MET 58 N 0.00 -0.28 -0.30 2.33 4.05 -0.47 -1.03 114.93 119.23 2gjf h MET 58 Ca -0.00 0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 2gjf h MET 58 Cb 0.72 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 2gjf h MET 58 CO 0.05 0.07 -0.34 -0.07 0.23 0.00 0.00 176.91 176.85 2gjf h LEU 59 N -0.66 0.69 -1.12 3.39 3.38 -0.78 -2.94 115.31 117.26 2gjf h LEU 59 Ca -0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2gjf h LEU 59 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2gjf h LEU 59 CO 0.05 0.97 -0.07 0.11 0.09 0.00 0.00 178.44 179.59 2gjf h LYS 60 N 0.56 0.54 -0.50 1.13 1.57 -1.11 -0.15 116.57 118.61 2gjf h LYS 60 Ca 0.06 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2gjf h LYS 60 Cb 0.84 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2gjf h LYS 60 CO 0.07 0.62 0.24 0.00 -0.57 0.00 0.00 179.45 179.81 2gjf h ALA 61 N 1.43 0.63 0.00 3.86 0.00 -0.99 -1.72 119.26 122.46 2gjf h ALA 61 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gjf h ALA 61 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gjf h ALA 61 CO 0.02 -0.11 -0.27 0.87 0.00 0.00 0.00 179.25 179.75 2gjf h LYS 62 N 0.47 0.00 -1.88 0.00 1.79 -1.53 -3.48 116.57 111.94 2gjf h LYS 62 Ca 0.22 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 2gjf h LYS 62 Cb 0.14 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2gjf h LYS 62 CO -0.16 0.00 -0.03 0.41 -1.08 0.00 0.00 179.45 178.58 2gjf n GLY 63 N 1.23 0.55 3.75 3.86 0.00 -0.17 -5.05 105.19 109.35 2gjf n GLY 63 Ca 0.04 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2gjf n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gjf s ILE 64 N -3.02 5.35 -0.45 -0.61 1.01 -0.57 -5.02 121.20 117.89 2gjf s ILE 64 Ca 0.01 0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.79 2gjf s ILE 64 Cb -0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2gjf s ILE 64 CO 0.03 0.44 1.76 -2.16 0.00 0.00 0.00 174.94 175.02 2gjf s PRO 65 N 0.19 3.09 0.39 2.79 0.04 -1.26 -4.71 135.00 135.53 2gjf s PRO 65 Ca 0.14 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2gjf s PRO 65 Cb -0.12 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2gjf s PRO 65 CO 0.02 -2.16 0.09 -0.59 0.04 0.00 0.00 177.00 174.41 2gjf s PHE 66 N 7.52 1.86 -0.13 0.56 -0.12 -1.26 -2.00 117.98 124.41 2gjf s PHE 66 Ca 0.72 -1.13 -0.04 0.00 -0.05 0.00 0.00 56.93 56.43 2gjf s PHE 66 Cb -0.17 -1.26 0.07 0.00 -0.63 0.00 0.00 43.02 41.02 2gjf s PHE 66 CO 0.28 -0.13 0.23 0.99 -0.05 0.00 0.00 175.22 176.55 2gjf s THR 67 N -3.20 -0.36 -0.16 -4.49 2.01 0.87 -4.98 115.64 105.33 2gjf s THR 67 Ca 0.26 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.30 2gjf s THR 67 Cb 0.05 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2gjf s THR 67 CO 0.14 0.07 0.54 -0.69 -0.69 0.00 0.00 174.62 173.98 2gjf s VAL 68 N 2.37 5.12 0.24 3.82 1.01 -1.26 -1.24 120.40 130.46 2gjf s VAL 68 Ca 0.03 1.04 0.11 0.00 0.00 0.00 0.00 61.98 63.16 2gjf s VAL 68 Cb -0.13 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2gjf s VAL 68 CO -0.08 0.23 -0.20 -0.31 0.00 0.00 0.00 175.10 174.73 2gjf s TYR 69 N 1.23 2.33 0.01 5.22 2.02 0.90 -4.97 117.35 124.09 2gjf s TYR 69 Ca 0.27 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.47 2gjf s TYR 69 Cb -0.16 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2gjf s TYR 69 CO 0.11 0.62 0.35 0.54 -1.57 0.00 0.00 175.55 175.60 2gjf s VAL 70 N -2.13 0.06 -0.52 0.71 0.11 -1.26 -0.38 120.40 116.99 2gjf s VAL 70 Ca 0.26 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2gjf s VAL 70 Cb -0.06 -0.80 -0.11 0.00 -1.53 0.00 0.00 36.38 33.88 2gjf s VAL 70 CO 0.13 -0.27 2.38 1.21 -3.33 0.00 0.00 175.10 175.22 2gjf n GLU 71 N 0.91 0.92 0.00 1.54 0.00 -1.25 -5.04 120.64 117.72 2gjf n GLU 71 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2gjf n GLU 71 Cb 0.58 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 29.34 2gjf n GLU 71 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28