#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfx n ASP 2 N 0.00 -5.28 -0.04 7.83 9.92 -1.26 -4.93 116.55 122.78 2kfx n ASP 2 Ca 0.00 -1.00 -0.00 0.00 -0.53 0.00 0.00 54.79 53.26 2kfx n ASP 2 Cb 0.00 -3.07 -0.00 0.00 -0.64 0.00 0.00 41.12 37.41 2kfx n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kfx h ASP 3 N -1.70 0.00 0.00 -2.24 3.32 -2.05 -3.08 116.42 110.67 2kfx h ASP 3 Ca -0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2kfx h ASP 3 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2kfx h ASP 3 CO 0.46 0.43 0.64 0.16 -1.72 0.00 0.00 179.24 179.21 2kfx h ILE 4 N -0.80 0.00 0.04 0.35 -2.65 -1.99 0.69 117.51 113.14 2kfx h ILE 4 Ca 0.00 0.00 -0.29 0.00 1.03 0.00 0.00 64.86 65.60 2kfx h ILE 4 Cb 0.05 0.11 -0.03 0.00 -2.05 0.00 0.00 36.82 34.90 2kfx h ILE 4 CO 0.00 0.00 -1.56 -1.22 0.03 0.00 0.00 178.15 175.40 2kfx n TYR 5 N -1.98 1.04 0.25 0.16 4.01 -1.24 -4.04 117.16 115.35 2kfx n TYR 5 Ca -0.00 0.36 0.13 0.00 -0.16 0.00 0.00 57.90 58.23 2kfx n TYR 5 Cb 0.65 -1.12 0.62 0.00 -0.31 0.00 0.00 39.34 39.18 2kfx n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2kfx h LYS 6 N -0.66 0.00 -0.12 -0.72 1.79 0.37 -2.54 116.57 114.69 2kfx h LYS 6 Ca -0.39 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.00 2kfx h LYS 6 Cb 1.55 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 2kfx h LYS 6 CO -0.13 0.14 -0.26 0.00 -1.08 0.00 0.00 179.45 178.12 2kfx h ALA 7 N 1.86 1.35 0.15 3.86 0.00 -1.06 -2.94 119.26 122.49 2kfx h ALA 7 Ca -0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.31 2kfx h ALA 7 Cb 0.55 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kfx h ALA 7 CO 0.02 0.45 -1.29 0.00 0.00 0.00 0.00 179.25 178.43 2kfx h ALA 8 N 1.55 -0.05 -0.49 0.00 0.00 -1.60 -3.21 119.26 115.47 2kfx h ALA 8 Ca 0.03 -0.79 0.14 0.00 0.00 0.00 0.00 54.91 54.29 2kfx h ALA 8 Cb 0.57 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kfx h ALA 8 CO 0.04 0.68 0.53 0.28 0.00 0.00 0.00 179.25 180.78 2kfx h VAL 9 N 0.23 0.33 0.00 0.00 2.07 -1.37 0.93 116.25 118.44 2kfx h VAL 9 Ca -0.20 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 2kfx h VAL 9 Cb 1.97 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2kfx h VAL 9 CO 0.25 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 177.04 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.54 -3.06 114.58 115.94 2kfx h GLU 10 Ca 0.23 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 2kfx h GLU 10 Cb 1.30 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 2kfx h GLU 10 CO -0.00 0.47 -0.60 1.96 -1.16 0.00 0.00 179.01 179.68 2kfx h GLN 11 N 0.00 0.00 -6.21 2.33 4.20 0.77 -3.43 115.11 112.77 2kfx h GLN 11 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 2kfx h GLN 11 Cb 1.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 2kfx h GLN 11 CO 0.06 0.60 0.98 -0.51 -0.67 0.00 0.00 178.83 179.29 2kfx s LEU 12 N -6.75 4.18 0.66 1.46 1.43 -1.02 -5.00 118.68 113.63 2kfx s LEU 12 Ca 0.02 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 2kfx s LEU 12 Cb 0.09 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 2kfx s LEU 12 CO 0.75 -0.87 1.05 -0.89 0.23 0.00 0.00 176.35 176.61 2kfx s THR 13 N 3.86 4.34 -2.00 5.49 2.01 -1.26 -4.89 115.64 123.19 2kfx s THR 13 Ca 0.61 0.76 0.05 0.00 0.31 0.00 0.00 61.69 63.42 2kfx s THR 13 Cb -0.25 -3.62 0.14 0.00 0.01 0.00 0.00 72.50 68.78 2kfx s THR 13 CO 0.21 -0.99 0.66 -0.62 -0.69 0.00 0.00 174.62 173.18 2kfx n GLU 14 N -2.95 0.25 -0.08 4.92 1.02 -1.26 -2.56 120.64 119.98 2kfx n GLU 14 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 2kfx n GLU 14 Cb 0.54 -1.29 -0.09 0.00 -0.02 0.00 0.00 31.44 30.58 2kfx n GLU 14 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kfx h GLU 15 N 0.00 0.00 0.00 3.49 5.08 -2.01 -3.26 114.58 117.88 2kfx h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfx h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kfx h GLU 15 CO 0.00 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 2kfx n GLN 16 N -4.56 0.06 0.06 2.33 -0.00 -1.06 -3.10 117.38 111.09 2kfx n GLN 16 Ca -0.17 0.18 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 2kfx n GLN 16 Cb 0.46 -1.58 -0.13 0.00 -0.00 0.00 0.00 30.24 28.98 2kfx n GLN 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2kfx h LYS 17 N 0.00 0.42 0.00 2.61 1.57 -1.67 -3.18 116.57 116.31 2kfx h LYS 17 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2kfx h LYS 17 Cb 0.41 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2kfx h LYS 17 CO 0.00 1.26 0.00 -0.91 -0.57 0.00 0.00 179.45 179.23 2kfx h ASN 18 N -0.12 0.00 -0.07 0.86 -0.26 -1.58 -1.06 115.58 113.35 2kfx h ASN 18 Ca -0.15 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.36 2kfx h ASN 18 Cb 1.66 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.94 2kfx h ASN 18 CO 0.17 0.00 -0.88 -0.33 -1.06 0.00 0.00 177.43 175.34 2kfx h GLU 19 N 0.00 0.72 0.12 0.81 4.39 -1.64 -3.14 114.58 115.84 2kfx h GLU 19 Ca 0.00 -0.68 -0.01 0.00 0.34 0.00 0.00 59.36 59.01 2kfx h GLU 19 Cb 0.02 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kfx h GLU 19 CO 0.00 1.27 -0.06 0.74 -1.16 0.00 0.00 179.01 179.81 2kfx h PHE 20 N 0.41 -0.14 -0.31 4.33 0.04 -1.28 -3.16 116.94 116.83 2kfx h PHE 20 Ca -0.09 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.77 2kfx h PHE 20 Cb 1.52 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 2kfx h PHE 20 CO 0.10 0.32 0.74 0.87 -0.60 0.00 0.00 178.31 179.75 2kfx h LYS 21 N -0.90 0.00 0.03 1.51 1.57 -1.42 1.59 116.57 118.95 2kfx h LYS 21 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2kfx h LYS 21 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2kfx h LYS 21 CO 0.03 0.00 -1.00 0.00 -0.57 0.00 0.00 179.45 177.91 2kfx h ALA 22 N 0.81 0.34 0.20 3.86 0.00 -1.51 -3.30 119.26 119.67 2kfx h ALA 22 Ca 0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2kfx h ALA 22 Cb 1.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2kfx h ALA 22 CO -0.00 0.90 -0.10 0.00 0.00 0.00 0.00 179.25 180.05 2kfx h ALA 23 N 0.78 -0.28 -0.82 0.00 0.00 0.23 -2.98 119.26 116.20 2kfx h ALA 23 Ca -0.08 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2kfx h ALA 23 Cb 1.66 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.40 2kfx h ALA 23 CO 0.16 -0.61 -0.26 0.74 0.00 0.00 0.00 179.25 179.29 2kfx h PHE 24 N -0.36 -0.62 -0.96 0.00 -1.00 -1.61 0.69 116.94 113.07 2kfx h PHE 24 Ca -0.03 0.08 0.25 0.00 2.81 0.00 0.00 57.97 61.08 2kfx h PHE 24 Cb 0.28 0.40 -0.13 0.00 3.61 0.00 0.00 35.95 40.11 2kfx h PHE 24 CO -0.04 -0.37 0.51 -0.44 -1.61 0.00 0.00 178.31 176.36 2kfx h ASP 25 N -0.03 0.50 -0.23 2.17 5.19 -1.60 0.76 116.42 123.19 2kfx h ASP 25 Ca 0.37 0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.87 2kfx h ASP 25 Cb 0.60 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2kfx h ASP 25 CO -0.85 0.01 -0.03 0.40 -3.12 0.00 0.00 179.24 175.66 2kfx h ILE 26 N 0.46 1.21 0.00 0.35 1.08 0.39 -2.53 117.51 118.46 2kfx h ILE 26 Ca 0.63 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2kfx h ILE 26 Cb 1.25 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2kfx h ILE 26 CO -0.53 0.29 0.00 0.49 -0.69 0.00 0.00 178.15 177.72 2kfx n PHE 27 N -4.26 0.00 -1.31 1.37 3.72 0.24 -4.14 117.46 113.09 2kfx n PHE 27 Ca 0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.11 2kfx n PHE 27 Cb 0.27 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 38.24 2kfx n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2kfx n VAL 28 N -1.97 3.97 1.89 -4.37 0.24 0.41 -4.52 118.33 113.97 2kfx n VAL 28 Ca 0.00 -2.49 0.02 0.00 -2.04 0.00 0.00 64.34 59.83 2kfx n VAL 28 Cb 0.00 -2.30 0.10 0.00 -1.47 0.00 0.00 33.84 30.17 2kfx n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kfx n LEU 29 N 2.85 0.18 -0.58 1.34 -0.00 -0.95 -3.73 117.00 116.12 2kfx n LEU 29 Ca 0.64 -0.09 -0.02 0.00 -0.00 0.00 0.00 56.01 56.54 2kfx n LEU 29 Cb 0.46 -0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 2kfx n LEU 29 CO 0.58 0.04 0.17 0.61 -0.00 0.00 0.00 177.39 178.80 2kfx n GLY 30 N 0.60 0.26 3.85 1.47 0.00 -1.26 -5.10 105.19 105.01 2kfx n GLY 30 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2kfx n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfx s ALA 31 N 0.00 2.98 0.00 4.61 0.00 -1.24 -5.04 121.76 123.07 2kfx s ALA 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2kfx s ALA 31 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kfx s ALA 31 CO 0.00 -0.81 0.05 0.39 0.00 0.00 0.00 175.76 175.39 2kfx n GLU 32 N -2.77 0.00 0.00 0.00 1.02 -1.26 -4.79 120.64 112.84 2kfx n GLU 32 Ca 0.06 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2kfx n GLU 32 Cb 0.54 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2kfx n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kfx n ASP 33 N -1.90 0.00 0.00 1.62 5.68 -1.26 -5.04 116.55 115.65 2kfx n ASP 33 Ca 0.00 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 2kfx n ASP 33 Cb 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 2kfx n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kfx n GLY 34 N 2.24 -1.61 3.45 6.12 0.00 -1.26 -5.18 105.19 108.95 2kfx n GLY 34 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 2kfx n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfx s SER 35 N 0.00 -0.66 0.65 1.61 1.04 -1.26 -4.96 113.70 110.12 2kfx s SER 35 Ca 0.00 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 2kfx s SER 35 Cb 0.00 1.09 -0.02 0.00 0.10 0.00 0.00 66.02 67.19 2kfx s SER 35 CO 0.00 -0.21 1.05 -0.63 0.98 0.00 0.00 173.24 174.43 2kfx s ILE 36 N 1.02 4.38 0.09 -1.02 1.01 -1.26 -4.92 121.20 120.50 2kfx s ILE 36 Ca -0.06 0.77 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 2kfx s ILE 36 Cb -0.06 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.80 2kfx s ILE 36 CO -0.09 -1.01 0.79 -0.55 0.00 0.00 0.00 174.94 174.07 2kfx s SER 37 N -4.09 -0.40 0.27 3.58 0.15 -1.26 -3.68 113.70 108.27 2kfx s SER 37 Ca 0.56 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 57.19 2kfx s SER 37 Cb -0.12 0.50 0.39 0.00 -1.71 0.00 0.00 66.02 65.08 2kfx s SER 37 CO 0.54 -0.83 1.04 0.35 1.20 0.00 0.00 173.24 175.54 2kfx n THR 38 N -0.34 0.46 -0.04 6.45 -2.24 -1.26 -0.02 114.28 117.29 2kfx n THR 38 Ca -0.11 0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 62.28 2kfx n THR 38 Cb 0.62 -1.71 -0.09 0.00 -2.10 0.00 0.00 70.33 67.06 2kfx n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2kfx h LYS 39 N 0.00 -0.03 -0.00 -0.78 1.57 -1.97 -3.29 116.57 112.06 2kfx h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kfx h LYS 39 Cb 0.86 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2kfx h LYS 39 CO 0.00 0.62 -0.17 0.39 -0.57 0.00 0.00 179.45 179.71 2kfx n GLU 40 N -4.71 0.64 0.06 3.15 -0.58 0.60 -4.17 120.64 115.64 2kfx n GLU 40 Ca -0.07 -0.27 -0.03 0.00 -0.42 0.00 0.00 57.16 56.37 2kfx n GLU 40 Cb 0.32 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.68 2kfx n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kfx h LEU 41 N 0.67 -0.15 -1.11 -4.62 7.12 -0.54 -3.29 115.31 113.39 2kfx h LEU 41 Ca 0.00 0.01 0.34 0.00 0.13 0.00 0.00 57.88 58.35 2kfx h LEU 41 Cb 0.42 0.04 -0.14 0.00 -0.53 0.00 0.00 40.66 40.44 2kfx h LEU 41 CO 0.00 -0.02 0.63 1.23 -0.13 0.00 0.00 178.44 180.15 2kfx h GLY 42 N -0.36 1.87 -0.07 3.75 0.00 -1.73 -1.95 103.07 104.58 2kfx h GLY 42 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2kfx h GLY 42 CO 0.03 -0.45 -0.09 0.50 0.00 0.00 0.00 176.54 176.53 2kfx h LYS 43 N 0.28 -0.06 -0.68 4.80 1.57 -1.72 -1.17 116.57 119.58 2kfx h LYS 43 Ca 0.74 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.66 2kfx h LYS 43 Cb 1.83 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 34.05 2kfx h LYS 43 CO -0.55 -0.04 0.15 0.28 -0.57 0.00 0.00 179.45 178.72 2kfx h VAL 44 N -0.06 0.56 0.00 0.50 2.07 -1.43 0.63 116.25 118.52 2kfx h VAL 44 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2kfx h VAL 44 Cb 0.10 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2kfx h VAL 44 CO -0.10 0.05 0.20 0.24 0.02 0.00 0.00 177.57 177.99 2kfx h MET 45 N 0.27 0.00 0.29 1.57 2.86 -1.05 -1.63 114.93 117.23 2kfx h MET 45 Ca 0.37 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.00 2kfx h MET 45 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2kfx h MET 45 CO -0.47 0.00 -0.14 -0.09 1.06 0.00 0.00 176.91 177.27 2kfx h ARG 46 N 0.00 -0.38 -1.14 1.72 2.43 0.14 -2.54 114.38 114.62 2kfx h ARG 46 Ca 0.00 0.03 0.32 0.00 -0.81 0.00 0.00 59.98 59.52 2kfx h ARG 46 Cb 0.41 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 2kfx h ARG 46 CO 0.00 -0.10 0.74 0.52 -1.51 0.00 0.00 179.97 179.62 2kfx h MET 47 N -0.64 0.26 0.00 0.20 2.86 -1.39 -2.99 114.93 113.23 2kfx h MET 47 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kfx h MET 47 Cb 0.45 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2kfx h MET 47 CO 0.07 0.17 0.00 1.28 1.06 0.00 0.00 176.91 179.49 2kfx n LEU 48 N -4.59 1.36 0.00 1.22 4.32 -1.07 -4.99 117.00 113.24 2kfx n LEU 48 Ca 0.29 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 2kfx n LEU 48 Cb 1.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.87 2kfx n LEU 48 CO 0.26 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 2kfx n GLY 49 N 0.97 0.00 3.05 -0.72 0.00 -0.99 -5.15 105.19 102.36 2kfx n GLY 49 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kfx n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfx s GLN 50 N 0.00 0.48 -0.41 1.61 -1.52 -1.02 -5.06 119.66 113.73 2kfx s GLN 50 Ca 0.00 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 52.64 2kfx s GLN 50 Cb 0.00 0.17 0.32 0.00 -0.22 0.00 0.00 33.01 33.28 2kfx s GLN 50 CO 0.00 -0.09 1.21 -1.71 -0.25 0.00 0.00 175.29 174.45 2kfx n ASN 51 N 0.94 -1.96 -2.83 5.90 2.85 -1.26 -3.67 115.26 115.22 2kfx n ASN 51 Ca -0.20 -3.03 -0.12 0.00 -0.11 0.00 0.00 54.58 51.12 2kfx n ASN 51 Cb 0.58 1.65 0.09 0.00 1.24 0.00 0.00 39.78 43.34 2kfx n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2kfx n PRO 52 N 0.45 -1.06 -2.40 1.20 -0.04 -1.26 -5.04 135.00 126.85 2kfx n PRO 52 Ca 0.02 -0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 62.37 2kfx n PRO 52 Cb 0.72 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 33.55 2kfx n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2kfx s THR 53 N -2.02 4.19 -1.48 0.52 -1.32 -1.26 -4.92 115.64 109.34 2kfx s THR 53 Ca 0.30 1.15 0.13 0.00 -1.21 0.00 0.00 61.69 62.06 2kfx s THR 53 Cb -0.02 -3.56 0.23 0.00 -1.51 0.00 0.00 72.50 67.64 2kfx s THR 53 CO 0.22 -0.50 1.31 -0.81 -2.21 0.00 0.00 174.62 172.63 2kfx n PRO 54 N -1.43 0.20 0.09 7.08 -0.04 -1.26 -2.29 135.00 137.35 2kfx n PRO 54 Ca 0.08 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2kfx n PRO 54 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2kfx n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kfx h GLU 55 N 0.00 0.17 0.00 0.54 4.81 -1.98 -2.98 114.58 115.14 2kfx h GLU 55 Ca 0.00 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2kfx h GLU 55 Cb 0.11 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2kfx h GLU 55 CO 0.00 1.14 -0.02 0.93 -0.73 0.00 0.00 179.01 180.33 2kfx h GLU 56 N 0.05 0.00 -0.77 1.92 5.08 -1.85 -3.35 114.58 115.67 2kfx h GLU 56 Ca -0.09 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2kfx h GLU 56 Cb 1.90 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.06 2kfx h GLU 56 CO 0.18 0.79 0.34 -0.07 -1.00 0.00 0.00 179.01 179.24 2kfx h LEU 57 N -1.00 0.37 -1.43 1.33 3.38 -1.70 0.23 115.31 116.50 2kfx h LEU 57 Ca -0.01 0.10 0.40 0.00 0.09 0.00 0.00 57.88 58.47 2kfx h LEU 57 Cb 0.79 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 2kfx h LEU 57 CO -0.00 0.16 0.83 -0.61 0.09 0.00 0.00 178.44 178.90 2kfx h GLN 58 N 0.51 0.13 -0.45 1.13 5.75 -1.65 0.42 115.11 120.96 2kfx h GLN 58 Ca 0.41 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 59.00 2kfx h GLN 58 Cb 0.59 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.02 2kfx h GLN 58 CO -0.37 0.09 -0.11 0.93 -2.65 0.00 0.00 178.83 176.72 2kfx h GLU 59 N 0.14 0.00 -0.88 1.69 5.08 -1.09 1.91 114.58 121.42 2kfx h GLU 59 Ca 0.77 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 59.17 2kfx h GLU 59 Cb 2.40 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.59 2kfx h GLU 59 CO -0.38 0.00 0.57 0.52 -1.00 0.00 0.00 179.01 178.73 2kfx h MET 60 N 0.00 1.09 0.00 2.33 2.86 -0.29 -0.48 114.93 120.44 2kfx h MET 60 Ca 0.22 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2kfx h MET 60 Cb 0.33 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2kfx h MET 60 CO -0.47 0.72 -0.06 -0.89 1.06 0.00 0.00 176.91 177.27 2kfx n ILE 61 N -4.52 0.47 0.00 -1.22 -0.00 -0.02 -3.99 119.36 110.08 2kfx n ILE 61 Ca 0.11 -0.23 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 2kfx n ILE 61 Cb 0.08 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.20 2kfx n ILE 61 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2kfx n ASP 62 N -2.11 0.00 -0.32 4.38 2.03 0.63 -1.11 116.55 120.05 2kfx n ASP 62 Ca 0.06 0.59 0.24 0.00 0.52 0.00 0.00 54.79 56.20 2kfx n ASP 62 Cb 0.41 -0.38 0.46 0.00 -0.72 0.00 0.00 41.12 40.89 2kfx n ASP 62 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kfx n GLU 63 N -1.63 -0.07 -0.02 -0.67 0.28 -1.05 0.15 120.64 117.63 2kfx n GLU 63 Ca 0.00 1.38 -0.16 0.00 -0.16 0.00 0.00 57.16 58.22 2kfx n GLU 63 Cb 0.00 -2.36 -0.10 0.00 1.43 0.00 0.00 31.44 30.41 2kfx n GLU 63 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 2kfx h VAL 64 N 0.00 1.42 -0.06 3.84 -1.51 -1.69 -3.39 116.25 114.86 2kfx h VAL 64 Ca 0.73 -1.88 -0.11 0.00 -1.23 0.00 0.00 66.70 64.21 2kfx h VAL 64 Cb 1.79 2.42 0.03 0.00 -2.13 0.00 0.00 31.29 33.40 2kfx h VAL 64 CO -0.81 0.54 0.26 0.47 -1.23 0.00 0.00 177.57 176.81 2kfx n ASP 65 N -4.33 1.23 0.14 4.19 9.92 0.12 -4.60 116.55 123.22 2kfx n ASP 65 Ca -0.09 -2.48 -0.01 0.00 -0.53 0.00 0.00 54.79 51.68 2kfx n ASP 65 Cb 0.58 -1.50 0.19 0.00 -0.64 0.00 0.00 41.12 39.75 2kfx n ASP 65 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kfx h GLU 66 N 11.35 0.04 0.00 -1.24 4.39 -1.77 -2.75 114.58 124.61 2kfx h GLU 66 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kfx h GLU 66 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2kfx h GLU 66 CO 1.19 0.60 0.00 0.38 -1.16 0.00 0.00 179.01 180.03 2kfx h ASP 67 N 0.03 0.00 -0.99 1.42 3.04 -1.95 -3.47 116.42 114.50 2kfx h ASP 67 Ca -0.01 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.71 2kfx h ASP 67 Cb 1.03 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.33 2kfx h ASP 67 CO 0.08 0.00 -0.11 0.61 -2.04 0.00 0.00 179.24 177.78 2kfx n GLY 68 N 1.11 0.36 0.14 7.15 0.00 -1.04 -4.94 105.19 107.97 2kfx n GLY 68 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2kfx n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfx h SER 69 N -0.16 0.00 -0.50 1.61 4.64 -1.92 -3.48 113.55 113.74 2kfx h SER 69 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2kfx h SER 69 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2kfx h SER 69 CO 0.11 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2kfx n GLY 70 N 1.24 0.70 3.37 -0.77 0.00 -1.26 -5.05 105.19 103.42 2kfx n GLY 70 Ca -0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2kfx n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kfx n THR 71 N -3.13 0.00 -3.57 2.61 -2.24 -1.26 -4.62 114.28 102.07 2kfx n THR 71 Ca 0.00 -1.68 -0.29 0.00 -2.27 0.00 0.00 64.05 59.81 2kfx n THR 71 Cb 0.48 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 2kfx n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kfx s VAL 72 N -2.74 0.78 0.65 2.28 1.01 -1.24 -4.67 120.40 116.47 2kfx s VAL 72 Ca 0.27 -2.25 -0.09 0.00 0.00 0.00 0.00 61.98 59.92 2kfx s VAL 72 Cb -0.01 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2kfx s VAL 72 CO 0.20 -0.98 1.00 1.51 0.00 0.00 0.00 175.10 176.83 2kfx s ASP 73 N 0.58 5.50 0.00 3.32 1.47 -1.26 -4.36 116.67 121.92 2kfx s ASP 73 Ca 0.20 0.91 0.00 0.00 1.18 0.00 0.00 52.55 54.84 2kfx s ASP 73 Cb -0.20 -1.80 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 2kfx s ASP 73 CO -0.02 -1.21 0.60 0.33 0.68 0.00 0.00 175.17 175.55 2kfx n PHE 74 N -2.80 0.00 0.00 2.11 7.35 -1.26 -2.01 117.46 120.85 2kfx n PHE 74 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2kfx n PHE 74 Cb 0.57 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.23 2kfx n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2kfx n ASP 75 N -1.10 0.00 0.00 -2.13 9.92 -1.26 -4.12 116.55 117.86 2kfx n ASP 75 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 2kfx n ASP 75 Cb 0.06 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.66 2kfx n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2kfx n GLU 76 N -0.44 0.17 -0.01 -1.24 0.28 -1.19 -2.23 120.64 115.98 2kfx n GLU 76 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2kfx n GLU 76 Cb 0.00 -1.38 -0.11 0.00 1.43 0.00 0.00 31.44 31.38 2kfx n GLU 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2kfx h PHE 77 N 0.00 0.59 0.00 -1.84 3.57 -1.57 -3.01 116.94 114.68 2kfx h PHE 77 Ca 0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2kfx h PHE 77 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2kfx h PHE 77 CO 0.00 1.11 0.00 1.28 -2.23 0.00 0.00 178.31 178.47 2kfx n LEU 78 N -4.25 0.11 -0.09 0.59 4.77 -0.95 -2.72 117.00 114.46 2kfx n LEU 78 Ca -0.10 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 2kfx n LEU 78 Cb 0.64 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2kfx n LEU 78 CO 0.46 0.03 -1.11 0.52 -1.33 0.00 0.00 177.39 175.95 2kfx n VAL 79 N -0.37 1.05 -0.26 4.08 0.31 -1.14 -3.75 118.33 118.25 2kfx n VAL 79 Ca 0.00 -0.37 -0.06 0.00 -0.01 0.00 0.00 64.34 63.90 2kfx n VAL 79 Cb 0.03 -1.29 0.05 0.00 -0.91 0.00 0.00 33.84 31.72 2kfx n VAL 79 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2kfx h MET 80 N -0.17 1.01 0.04 5.55 1.85 -1.49 -2.01 114.93 119.72 2kfx h MET 80 Ca -0.43 -0.13 -0.00 0.00 -0.61 0.00 0.00 59.70 58.53 2kfx h MET 80 Cb 1.58 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 33.42 2kfx h MET 80 CO -0.12 0.77 -0.02 0.52 -0.40 0.00 0.00 176.91 177.66 2kfx h MET 81 N 1.00 -0.06 -1.10 0.39 2.86 -1.81 -2.19 114.93 114.02 2kfx h MET 81 Ca 0.25 0.00 0.41 0.00 -2.06 0.00 0.00 59.70 58.30 2kfx h MET 81 Cb 0.06 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.58 2kfx h MET 81 CO -0.04 -0.04 0.64 0.28 1.06 0.00 0.00 176.91 178.81 2kfx h VAL 82 N -0.81 0.09 0.19 -2.22 2.07 -1.65 0.75 116.25 114.67 2kfx h VAL 82 Ca -0.01 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2kfx h VAL 82 Cb 0.05 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2kfx h VAL 82 CO 0.01 0.02 -0.09 0.03 0.02 0.00 0.00 177.57 177.56 2kfx h ARG 83 N 0.09 -0.24 -0.58 1.57 3.08 -1.47 -2.76 114.38 114.07 2kfx h ARG 83 Ca 0.82 0.02 0.17 0.00 0.07 0.00 0.00 59.98 61.06 2kfx h ARG 83 Cb 2.24 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 32.32 2kfx h ARG 83 CO -0.64 -0.08 0.52 0.77 -1.07 0.00 0.00 179.97 179.48 2kfx h SER 84 N -1.05 0.00 0.00 7.04 0.02 -0.41 -0.33 113.55 118.82 2kfx h SER 84 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kfx h SER 84 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kfx h SER 84 CO 0.04 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 2kfx n MET 85 N -3.92 0.00 -0.09 3.45 2.81 0.25 -1.99 117.12 117.63 2kfx n MET 85 Ca 0.11 0.25 0.25 0.00 -1.81 0.00 0.00 57.70 56.51 2kfx n MET 85 Cb 0.75 -0.94 0.59 0.00 -0.71 0.00 0.00 33.22 32.90 2kfx n MET 85 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2kfx h LYS 86 N 0.00 0.00 -1.34 0.03 3.64 -1.30 -3.34 116.57 114.25 2kfx h LYS 86 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2kfx h LYS 86 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 2kfx h LYS 86 CO 0.00 0.00 -0.25 -0.51 -2.27 0.00 0.00 179.45 176.42 2kfx s ASP 87 N -4.27 -1.20 -0.39 4.20 1.11 -0.15 -5.11 116.67 110.87 2kfx s ASP 87 Ca -0.03 1.01 -0.29 0.00 0.18 0.00 0.00 52.55 53.42 2kfx s ASP 87 Cb 0.15 2.11 0.02 0.00 1.07 0.00 0.00 42.92 46.27 2kfx s ASP 87 CO 0.51 -0.25 1.20 1.51 1.18 0.00 0.00 175.17 179.32 2kfx s ASP 88 N 2.84 6.67 0.00 0.27 -4.77 -0.84 -3.66 116.67 117.18 2kfx s ASP 88 Ca 0.13 0.84 0.00 0.00 -3.30 0.00 0.00 52.55 50.22 2kfx s ASP 88 Cb -0.14 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2kfx s ASP 88 CO -0.20 -1.15 0.00 -1.54 0.70 0.00 0.00 175.17 172.98