#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 6.35 0.32 1.61 0.15 -1.26 -4.95 113.70 115.93 2gjf s SER 2 Ca 0.00 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.40 2gjf s SER 2 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2gjf s SER 2 CO 0.00 -0.97 0.29 -0.54 1.20 0.00 0.00 173.24 173.22 2gjf s LYS 3 N 3.29 2.80 -0.38 5.44 3.01 -1.26 -4.92 119.74 127.72 2gjf s LYS 3 Ca 0.27 -1.23 -0.12 0.00 -1.01 0.00 0.00 55.97 53.88 2gjf s LYS 3 Cb -0.14 -2.52 0.02 0.00 -1.01 0.00 0.00 37.83 34.18 2gjf s LYS 3 CO 0.20 0.15 0.24 0.99 0.51 0.00 0.00 175.35 177.43 2gjf s THR 4 N -2.26 4.90 -0.14 2.17 2.01 -1.00 -3.95 115.64 117.36 2gjf s THR 4 Ca 0.40 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2gjf s THR 4 Cb -0.06 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2gjf s THR 4 CO 0.27 -0.21 0.36 -0.63 -0.69 0.00 0.00 174.62 173.71 2gjf s ILE 5 N 1.62 5.26 -0.20 1.82 1.01 -0.22 -0.94 121.20 129.55 2gjf s ILE 5 Ca 0.04 0.70 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 2gjf s ILE 5 Cb -0.19 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2gjf s ILE 5 CO 0.08 0.38 -0.10 -0.36 0.00 0.00 0.00 174.94 174.94 2gjf s PHE 6 N 0.43 2.89 -0.32 3.97 0.40 0.71 -0.37 117.98 125.68 2gjf s PHE 6 Ca 0.20 -1.16 -0.04 0.00 -0.60 0.00 0.00 56.93 55.33 2gjf s PHE 6 Cb -0.14 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.41 2gjf s PHE 6 CO 0.06 -0.61 0.06 0.14 0.70 0.00 0.00 175.22 175.57 2gjf s VAL 7 N 1.34 3.39 -0.06 -0.44 -7.23 -0.54 -0.01 120.40 116.85 2gjf s VAL 7 Ca 0.04 -1.28 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2gjf s VAL 7 Cb -0.14 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 2gjf s VAL 7 CO -0.06 -0.16 0.09 -0.63 -0.31 0.00 0.00 175.10 174.03 2gjf s ILE 8 N 1.32 4.94 -0.35 -0.62 1.09 -0.10 -1.50 121.20 125.99 2gjf s ILE 8 Ca -0.03 -0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.38 2gjf s ILE 8 Cb -0.20 -3.19 0.11 0.00 -1.06 0.00 0.00 42.46 38.12 2gjf s ILE 8 CO 0.01 0.50 0.12 -0.69 -0.10 0.00 0.00 174.94 174.77 2gjf s VAL 9 N -1.08 1.34 0.39 2.92 1.01 -1.02 -0.68 120.40 123.28 2gjf s VAL 9 Ca 0.18 -1.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 2gjf s VAL 9 Cb -0.12 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 2gjf s VAL 9 CO 0.08 -0.70 1.19 -2.16 0.00 0.00 0.00 175.10 173.51 2gjf s PRO 10 N 1.17 4.08 -0.11 2.72 0.04 -1.26 -4.48 135.00 137.16 2gjf s PRO 10 Ca 0.12 1.90 0.16 0.00 0.04 0.00 0.00 61.00 63.22 2gjf s PRO 10 Cb -0.19 -2.73 0.24 0.00 0.04 0.00 0.00 34.50 31.86 2gjf s PRO 10 CO -0.16 -0.32 1.12 0.25 0.04 0.00 0.00 177.00 177.94 2gjf n THR 11 N 0.16 1.56 -3.62 1.26 -2.24 -1.26 -0.01 114.28 110.13 2gjf n THR 11 Ca 0.04 -1.87 0.02 0.00 -2.27 0.00 0.00 64.05 59.96 2gjf n THR 11 Cb 0.46 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2gjf n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gjf s ASN 12 N -2.54 -0.05 0.35 3.42 4.22 -1.26 -4.97 114.94 114.10 2gjf s ASN 12 Ca 0.26 -0.13 0.04 0.00 -2.14 0.00 0.00 52.86 50.89 2gjf s ASN 12 Cb 0.23 0.15 0.67 0.00 1.28 0.00 0.00 41.25 43.57 2gjf s ASN 12 CO 0.02 -0.27 1.98 -0.08 -2.04 0.00 0.00 177.10 176.70 2gjf h GLU 13 N 2.00 0.82 0.01 3.55 4.81 -1.98 -1.46 114.58 122.33 2gjf h GLU 13 Ca -0.31 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2gjf h GLU 13 Cb 1.20 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2gjf h GLU 13 CO 0.29 0.54 -0.09 1.49 -0.73 0.00 0.00 179.01 180.50 2gjf h GLU 14 N 0.84 -0.16 0.10 1.92 4.57 -1.98 0.34 114.58 120.20 2gjf h GLU 14 Ca 0.29 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2gjf h GLU 14 Cb 0.10 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2gjf h GLU 14 CO -0.08 -0.11 -0.05 1.96 -1.18 0.00 0.00 179.01 179.55 2gjf h GLN 15 N -0.17 -0.12 0.17 1.92 1.08 -1.85 -0.89 115.11 115.25 2gjf h GLN 15 Ca 0.03 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2gjf h GLN 15 Cb 0.21 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 2gjf h GLN 15 CO -0.09 0.09 -0.25 0.28 -0.95 0.00 0.00 178.83 177.91 2gjf h VAL 16 N -0.32 0.45 -0.95 -0.54 2.07 -1.16 -0.23 116.25 115.57 2gjf h VAL 16 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2gjf h VAL 16 Cb 0.27 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 2gjf h VAL 16 CO 0.02 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.22 2gjf h ALA 17 N 0.21 1.52 -0.28 1.67 0.00 -0.33 0.72 119.26 122.77 2gjf h ALA 17 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2gjf h ALA 17 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gjf h ALA 17 CO -0.11 0.31 0.10 0.35 0.00 0.00 0.00 179.25 179.90 2gjf h PHE 18 N 1.02 0.43 0.09 0.00 3.57 -0.55 0.20 116.94 121.70 2gjf h PHE 18 Ca 0.43 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 2gjf h PHE 18 Cb 0.30 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2gjf h PHE 18 CO -0.00 0.45 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.41 2gjf h LEU 19 N 0.29 -0.10 -1.97 0.59 4.07 -0.38 -1.45 115.31 116.36 2gjf h LEU 19 Ca 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 2gjf h LEU 19 Cb 0.21 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2gjf h LEU 19 CO -0.01 0.19 -0.11 1.05 -1.08 0.00 0.00 178.44 178.48 2gjf h GLU 20 N -0.40 0.00 -0.01 1.13 4.11 -0.87 -1.15 114.58 117.39 2gjf h GLU 20 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2gjf h GLU 20 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2gjf h GLU 20 CO 0.02 0.11 -0.06 0.00 0.07 0.00 0.00 179.01 179.15 2gjf h ALA 21 N 1.89 0.03 -0.03 1.06 0.00 -0.36 -3.25 119.26 118.60 2gjf h ALA 21 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2gjf h ALA 21 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gjf h ALA 21 CO 0.01 -0.10 -0.36 1.37 0.00 0.00 0.00 179.25 180.18 2gjf h LEU 22 N -0.56 0.05 -2.03 0.00 8.10 -1.02 -2.66 115.31 117.19 2gjf h LEU 22 Ca -0.00 -0.02 0.13 0.00 0.11 0.00 0.00 57.88 58.10 2gjf h LEU 22 Cb 0.73 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.91 2gjf h LEU 22 CO 0.01 0.41 0.36 0.00 -4.11 0.00 0.00 178.44 175.11 2gjf h ALA 23 N 1.60 2.34 0.00 0.17 0.00 -1.25 0.26 119.26 122.38 2gjf h ALA 23 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2gjf h ALA 23 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2gjf h ALA 23 CO 0.05 -0.59 -0.29 0.87 0.00 0.00 0.00 179.25 179.29 2gjf h LYS 24 N 0.00 0.00 -5.54 0.00 1.57 -1.55 -3.42 116.57 107.63 2gjf h LYS 24 Ca 0.22 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.56 2gjf h LYS 24 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2gjf h LYS 24 CO -0.00 0.29 1.57 1.04 -0.57 0.00 0.00 179.45 181.77 2gjf n GLN 25 N -3.72 0.92 0.16 3.15 6.02 0.89 -4.76 117.38 120.04 2gjf n GLN 25 Ca -0.01 -0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2gjf n GLN 25 Cb 0.39 -3.29 0.47 0.00 1.02 0.00 0.00 30.24 28.83 2gjf n GLN 25 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2gjf h ASP 26 N 18.62 0.00 0.84 1.08 5.19 -1.86 -2.89 116.42 137.41 2gjf h ASP 26 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2gjf h ASP 26 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2gjf h ASP 26 CO 1.17 0.00 0.00 1.05 -3.12 0.00 0.00 179.24 178.34 2gjf h GLU 27 N 0.00 0.00 -0.07 3.56 4.11 -1.96 -3.00 114.58 117.22 2gjf h GLU 27 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2gjf h GLU 27 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2gjf h GLU 27 CO 0.00 0.00 -0.22 -0.07 0.07 0.00 0.00 179.01 178.79 2gjf h LEU 28 N 0.00 0.31 1.55 3.06 3.38 -1.89 -3.47 115.31 118.24 2gjf h LEU 28 Ca 0.00 -0.62 -0.31 0.00 0.09 0.00 0.00 57.88 57.04 2gjf h LEU 28 Cb 0.42 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2gjf h LEU 28 CO 0.00 0.87 -0.42 0.59 0.09 0.00 0.00 178.44 179.57 2gjf n ASN 29 N -4.53 -4.82 -3.09 -0.43 3.02 -1.14 -5.00 115.26 99.27 2gjf n ASN 29 Ca -0.08 -0.10 -0.17 0.00 -0.03 0.00 0.00 54.58 54.20 2gjf n ASN 29 Cb 0.44 -3.83 0.12 0.00 -0.61 0.00 0.00 39.78 35.90 2gjf n ASN 29 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2gjf n PHE 30 N -4.09 -3.95 -3.83 3.10 3.72 -1.26 -5.01 117.46 106.14 2gjf n PHE 30 Ca -0.14 -0.66 -0.30 0.00 -0.05 0.00 0.00 57.45 56.29 2gjf n PHE 30 Cb 0.62 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 38.42 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 -3.73 4.15 0.31 4.37 1.11 -0.75 -4.99 116.67 117.13 2gjf s ASP 31 Ca 0.43 -2.22 -0.27 0.00 0.18 0.00 0.00 52.55 50.67 2gjf s ASP 31 Cb -0.01 -1.20 -0.10 0.00 1.07 0.00 0.00 42.92 42.68 2gjf s ASP 31 CO 0.30 -0.34 0.97 0.26 1.18 0.00 0.00 175.17 177.54 2gjf s TRP 32 N 0.84 3.71 -0.21 4.23 0.52 -1.26 -0.69 118.94 126.08 2gjf s TRP 32 Ca 0.13 1.79 0.06 0.00 0.02 0.00 0.00 56.10 58.10 2gjf s TRP 32 Cb -0.21 -2.99 -0.21 0.00 -1.15 0.00 0.00 33.47 28.91 2gjf s TRP 32 CO -0.10 0.11 0.01 1.04 0.02 0.00 0.00 176.95 178.02 2gjf n GLN 33 N 0.78 0.68 -3.86 4.98 1.13 -0.79 -4.97 117.38 115.32 2gjf n GLN 33 Ca 0.01 0.14 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 2gjf n GLN 33 Cb 0.49 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.17 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 -6.29 0.01 -0.16 1.08 2.20 -1.26 -5.01 114.94 105.50 2gjf s ASN 34 Ca -0.24 -0.18 -0.29 0.00 -0.94 0.00 0.00 52.86 51.21 2gjf s ASN 34 Cb 0.08 0.22 -0.03 0.00 -2.00 0.00 0.00 41.25 39.51 2gjf s ASN 34 CO 0.70 -0.37 1.56 -2.16 -2.94 0.00 0.00 177.10 173.90 2gjf s PRO 35 N -1.35 3.99 -1.11 3.55 0.04 -1.26 -4.79 135.00 134.07 2gjf s PRO 35 Ca -0.14 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2gjf s PRO 35 Cb -0.07 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.39 2gjf s PRO 35 CO 0.02 -1.05 1.93 -0.35 0.04 0.00 0.00 177.00 177.58 2gjf n PRO 36 N 7.31 1.58 0.00 0.56 -0.04 -1.26 -4.30 135.00 138.85 2gjf n PRO 36 Ca 0.17 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 2gjf n PRO 36 Cb 0.44 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 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 7.49 0.00 -3.11 0.52 -1.04 -1.26 -4.28 114.28 112.60 2gjf n THR 37 Ca 0.46 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.06 2gjf n THR 37 Cb 0.45 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.89 4.10 0.13 -2.82 0.41 -1.26 -5.04 118.70 112.33 2gjf s GLU 38 Ca 0.00 0.54 -0.31 0.00 -0.41 0.00 0.00 54.97 54.79 2gjf s GLU 38 Cb 0.00 -3.65 -0.08 0.00 -1.78 0.00 0.00 34.13 28.62 2gjf s GLU 38 CO 0.00 -0.43 1.35 -1.25 -0.49 0.00 0.00 175.26 174.45 2gjf s PRO 39 N 2.52 4.35 0.00 0.39 0.04 -1.26 -2.79 135.00 138.24 2gjf s PRO 39 Ca 0.26 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2gjf s PRO 39 Cb -0.15 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2gjf s PRO 39 CO 0.09 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2gjf n GLY 40 N 3.19 0.67 3.79 0.56 0.00 0.99 -4.98 105.19 109.41 2gjf n GLY 40 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.70 4.04 -0.66 1.61 0.74 -1.12 -4.87 119.66 118.69 2gjf s GLN 41 Ca 0.00 0.26 -0.26 0.00 0.05 0.00 0.00 55.36 55.41 2gjf s GLN 41 Cb 0.00 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 2gjf s GLN 41 CO 0.00 0.48 1.88 -1.25 -0.55 0.00 0.00 175.29 175.85 2gjf s PRO 42 N -0.32 2.61 -0.26 1.67 0.04 -1.26 -4.38 135.00 133.10 2gjf s PRO 42 Ca 0.21 0.48 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 2gjf s PRO 42 Cb -0.15 -4.49 -0.01 0.00 0.04 0.00 0.00 34.50 29.89 2gjf s PRO 42 CO 0.09 -2.84 0.77 0.08 0.04 0.00 0.00 177.00 175.14 2gjf s VAL 43 N 9.27 4.86 0.01 -0.36 1.01 0.14 -4.91 120.40 130.43 2gjf s VAL 43 Ca 0.68 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.91 2gjf s VAL 43 Cb -0.12 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2gjf s VAL 43 CO 0.17 -0.09 0.40 -0.69 0.00 0.00 0.00 175.10 174.89 2gjf s VAL 44 N 2.79 5.06 -0.17 2.92 1.01 -1.26 -0.93 120.40 129.82 2gjf s VAL 44 Ca 0.32 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 2gjf s VAL 44 Cb -0.15 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.62 2gjf s VAL 44 CO 0.09 0.52 0.20 -0.63 0.00 0.00 0.00 175.10 175.27 2gjf s ILE 45 N -1.15 -0.29 -0.55 2.22 1.01 0.99 -1.88 121.20 121.56 2gjf s ILE 45 Ca 0.25 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 2gjf s ILE 45 Cb -0.16 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.78 2gjf s ILE 45 CO 0.14 -0.11 1.04 -0.76 0.00 0.00 0.00 174.94 175.25 2gjf s LEU 46 N 2.30 3.82 0.16 2.97 1.02 0.13 -0.21 118.68 128.88 2gjf s LEU 46 Ca 0.05 -0.09 0.11 0.00 0.02 0.00 0.00 54.13 54.22 2gjf s LEU 46 Cb -0.15 -3.03 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 2gjf s LEU 46 CO -0.10 -1.31 -0.25 0.27 0.02 0.00 0.00 176.35 174.98 2gjf s ILE 47 N 4.34 2.29 0.74 -0.59 -4.36 -0.11 -1.82 121.20 121.69 2gjf s ILE 47 Ca 0.37 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.74 2gjf s ILE 47 Cb -0.10 -2.05 0.04 0.00 1.25 0.00 0.00 42.46 41.59 2gjf s ILE 47 CO 0.23 -0.02 1.10 -2.16 0.24 0.00 0.00 174.94 174.32 2gjf s PRO 48 N -2.38 2.43 0.23 0.37 0.04 -1.26 -2.38 135.00 132.05 2gjf s PRO 48 Ca 0.17 1.24 0.20 0.00 0.04 0.00 0.00 61.00 62.65 2gjf s PRO 48 Cb -0.09 -1.91 0.93 0.00 0.04 0.00 0.00 34.50 33.47 2gjf s PRO 48 CO 0.08 -1.52 1.62 -1.13 0.04 0.00 0.00 177.00 176.09 2gjf n SER 49 N -3.17 0.52 -0.18 6.66 3.41 -1.26 -1.21 113.62 118.39 2gjf n SER 49 Ca 0.09 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.50 2gjf n SER 49 Cb 0.53 -0.76 0.49 0.00 -0.26 0.00 0.00 64.21 64.20 2gjf n SER 49 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gjf n ASP 50 N -2.12 0.75 0.00 4.04 9.92 -1.26 -3.61 116.55 124.27 2gjf n ASP 50 Ca 0.01 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 2gjf n ASP 50 Cb 0.15 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2gjf n ASP 50 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2gjf n MET 51 N -0.81 1.53 -0.13 -1.24 2.81 -0.35 -4.71 117.12 114.22 2gjf n MET 51 Ca 0.13 -1.08 -0.13 0.00 -1.81 0.00 0.00 57.70 54.81 2gjf n MET 51 Cb 0.31 -0.94 -0.02 0.00 -0.71 0.00 0.00 33.22 31.87 2gjf n MET 51 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2gjf h VAL 52 N 0.28 1.27 -0.48 2.03 3.04 -1.56 -2.57 116.25 118.26 2gjf h VAL 52 Ca 0.00 -1.49 -0.00 0.00 -1.01 0.00 0.00 66.70 64.20 2gjf h VAL 52 Cb 0.40 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 2gjf h VAL 52 CO 0.00 0.50 0.30 -0.33 -1.01 0.00 0.00 177.57 177.03 2gjf h GLU 53 N 0.78 0.65 0.25 4.17 5.08 -1.84 0.28 114.58 123.95 2gjf h GLU 53 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2gjf h GLU 53 Cb 0.91 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2gjf h GLU 53 CO 0.08 0.47 -0.12 2.35 -1.00 0.00 0.00 179.01 180.79 2gjf h TRP 54 N 0.65 -0.31 -0.07 4.33 7.01 -1.87 -1.60 115.95 124.09 2gjf h TRP 54 Ca 0.17 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 2gjf h TRP 54 Cb -0.02 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 2gjf h TRP 54 CO -0.03 -0.14 -0.17 0.35 -2.79 0.00 0.00 178.44 175.66 2gjf h PHE 55 N -0.40 0.12 0.46 2.65 3.04 -1.34 0.18 116.94 121.65 2gjf h PHE 55 Ca -0.03 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 2gjf h PHE 55 Cb 0.31 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2gjf h PHE 55 CO -0.04 0.28 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.24 2gjf h LEU 56 N 0.11 -0.52 -1.19 0.59 3.38 -0.10 -1.17 115.31 116.40 2gjf h LEU 56 Ca 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2gjf h LEU 56 Cb 0.36 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2gjf h LEU 56 CO 0.02 -0.23 -0.34 -0.33 0.09 0.00 0.00 178.44 177.65 2gjf h GLU 57 N -0.81 0.00 0.22 1.13 5.08 -1.19 -0.91 114.58 118.10 2gjf h GLU 57 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2gjf h GLU 57 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2gjf h GLU 57 CO 0.10 0.34 -0.11 1.98 -1.00 0.00 0.00 179.01 180.33 2gjf h MET 58 N 0.00 -0.29 -0.20 2.33 4.05 -0.84 0.17 114.93 120.17 2gjf h MET 58 Ca -0.00 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2gjf h MET 58 Cb 0.74 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 2gjf h MET 58 CO 0.04 0.02 -0.53 -0.07 0.23 0.00 0.00 176.91 176.61 2gjf h LEU 59 N -0.60 0.62 -0.80 3.39 3.38 -1.19 -3.08 115.31 117.02 2gjf h LEU 59 Ca -0.03 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 2gjf h LEU 59 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2gjf h LEU 59 CO 0.05 1.03 -0.37 0.11 0.09 0.00 0.00 178.44 179.35 2gjf h LYS 60 N 0.44 0.46 -0.92 1.13 1.57 -1.17 0.68 116.57 118.76 2gjf h LYS 60 Ca 0.01 -0.22 0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2gjf h LYS 60 Cb 1.07 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 2gjf h LYS 60 CO 0.10 0.77 0.59 0.00 -0.57 0.00 0.00 179.45 180.33 2gjf h ALA 61 N 1.22 1.66 0.00 3.86 0.00 -0.55 -1.96 119.26 123.48 2gjf h ALA 61 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2gjf h ALA 61 Cb 0.83 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2gjf h ALA 61 CO 0.07 0.13 -1.62 1.63 0.00 0.00 0.00 179.25 179.46 2gjf n LYS 62 N -4.56 0.64 -0.78 0.00 4.76 -1.13 -4.99 118.16 112.10 2gjf n LYS 62 Ca 0.17 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2gjf n LYS 62 Cb 0.36 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2gjf n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gjf n GLY 63 N 1.42 1.12 3.72 0.72 0.00 0.10 -5.05 105.19 107.22 2gjf n GLY 63 Ca -0.12 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 3.91 -0.66 -0.61 1.01 -0.44 -4.95 121.20 117.47 2gjf s ILE 64 Ca 0.00 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 61.82 2gjf s ILE 64 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2gjf s ILE 64 CO 0.00 0.14 1.88 -2.16 0.00 0.00 0.00 174.94 174.80 2gjf s PRO 65 N 0.73 2.61 0.40 2.79 0.04 -1.26 -4.74 135.00 135.57 2gjf s PRO 65 Ca 0.57 0.46 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2gjf s PRO 65 Cb -0.30 -4.50 -0.04 0.00 0.04 0.00 0.00 34.50 29.70 2gjf s PRO 65 CO 0.31 -2.85 0.08 -0.59 0.04 0.00 0.00 177.00 173.99 2gjf s PHE 66 N 9.27 1.90 -0.11 0.56 -0.12 -1.26 -2.44 117.98 125.78 2gjf s PHE 66 Ca 0.68 -1.09 -0.09 0.00 -0.05 0.00 0.00 56.93 56.38 2gjf s PHE 66 Cb -0.12 -1.32 0.03 0.00 -0.63 0.00 0.00 43.02 40.99 2gjf s PHE 66 CO 0.17 -0.06 0.29 0.99 -0.05 0.00 0.00 175.22 176.56 2gjf s THR 67 N -3.14 -0.01 -0.14 -4.49 2.01 -0.56 -4.99 115.64 104.32 2gjf s THR 67 Ca 0.25 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2gjf s THR 67 Cb 0.05 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2gjf s THR 67 CO 0.13 0.02 0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 2gjf s VAL 68 N 0.50 5.42 0.11 3.82 1.01 -1.26 -1.47 120.40 128.54 2gjf s VAL 68 Ca -0.03 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2gjf s VAL 68 Cb -0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2gjf s VAL 68 CO -0.03 0.57 -0.18 -0.31 0.00 0.00 0.00 175.10 175.15 2gjf s TYR 69 N -0.67 1.64 -0.13 5.22 1.51 0.50 -4.98 117.35 120.45 2gjf s TYR 69 Ca 0.13 -0.45 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 2gjf s TYR 69 Cb -0.12 -0.88 0.05 0.00 -0.11 0.00 0.00 41.96 40.90 2gjf s TYR 69 CO 0.02 0.19 0.30 0.08 -1.11 0.00 0.00 175.55 175.03 2gjf s VAL 70 N -1.46 -0.03 -0.40 0.71 1.01 -1.26 -1.06 120.40 117.90 2gjf s VAL 70 Ca 0.07 0.12 -0.34 0.00 0.00 0.00 0.00 61.98 61.83 2gjf s VAL 70 Cb -0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 36.38 35.73 2gjf s VAL 70 CO 0.04 0.05 2.25 1.21 0.00 0.00 0.00 175.10 178.65 2gjf n GLU 71 N 4.16 1.03 0.00 2.72 2.13 -1.25 -5.04 120.64 124.39 2gjf n GLU 71 Ca -0.24 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2gjf n GLU 71 Cb 0.54 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.73 2gjf n GLU 71 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87