#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 -1.49 -0.07 7.83 8.00 -1.26 -4.89 116.55 124.67 2kfx n ASP 2 Ca 0.00 -0.95 -0.12 0.00 0.71 0.00 0.00 54.79 54.43 2kfx n ASP 2 Cb 0.00 -3.27 -0.11 0.00 -0.02 0.00 0.00 41.12 37.72 2kfx n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2kfx h ASP 3 N -1.82 0.00 0.00 -2.24 3.32 -2.06 -3.28 116.42 110.34 2kfx h ASP 3 Ca -0.61 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 55.63 2kfx h ASP 3 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2kfx h ASP 3 CO 0.65 0.95 0.62 0.16 -1.72 0.00 0.00 179.24 179.90 2kfx h ILE 4 N -1.00 0.00 0.06 0.35 -2.65 -2.01 0.75 117.51 113.01 2kfx h ILE 4 Ca -0.02 0.00 -0.26 0.00 1.03 0.00 0.00 64.86 65.61 2kfx h ILE 4 Cb 0.86 0.11 -0.02 0.00 -2.05 0.00 0.00 36.82 35.72 2kfx h ILE 4 CO -0.01 0.00 -1.41 1.88 0.03 0.00 0.00 178.15 178.64 2kfx h TYR 5 N 0.00 0.23 0.00 0.16 0.05 -1.95 -3.35 116.97 112.11 2kfx h TYR 5 Ca 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 2kfx h TYR 5 Cb 1.24 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 2kfx h TYR 5 CO 0.00 1.55 -0.04 0.87 -1.05 0.00 0.00 178.16 179.49 2kfx h LYS 6 N -0.56 0.00 -0.70 4.88 1.79 0.42 -1.83 116.57 120.56 2kfx h LYS 6 Ca -0.34 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2kfx h LYS 6 Cb 1.58 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.20 2kfx h LYS 6 CO -0.06 0.04 0.44 0.00 -1.08 0.00 0.00 179.45 178.79 2kfx h ALA 7 N 1.96 1.45 0.05 3.86 0.00 -1.50 -2.21 119.26 122.87 2kfx h ALA 7 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2kfx h ALA 7 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kfx h ALA 7 CO 0.01 0.49 -1.05 0.00 0.00 0.00 0.00 179.25 178.69 2kfx h ALA 8 N 1.52 0.30 -0.31 0.00 0.00 -1.51 -3.19 119.26 116.06 2kfx h ALA 8 Ca 0.25 -0.81 0.09 0.00 0.00 0.00 0.00 54.91 54.45 2kfx h ALA 8 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kfx h ALA 8 CO -0.05 0.96 0.26 0.28 0.00 0.00 0.00 179.25 180.70 2kfx h VAL 9 N 0.10 0.68 0.00 0.00 2.07 -1.24 0.34 116.25 118.20 2kfx h VAL 9 Ca -0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2kfx h VAL 9 Cb 1.74 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2kfx h VAL 9 CO 0.17 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.26 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.49 -2.89 114.58 116.16 2kfx h GLU 10 Ca 0.15 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 2kfx h GLU 10 Cb 0.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2kfx h GLU 10 CO -0.00 0.17 -0.88 1.96 -1.16 0.00 0.00 179.01 179.10 2kfx h GLN 11 N 0.00 0.00 -6.32 2.33 4.20 -0.44 -3.44 115.11 111.44 2kfx h GLN 11 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2kfx h GLN 11 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2kfx h GLN 11 CO 0.02 0.88 0.87 -0.51 -0.67 0.00 0.00 178.83 179.42 2kfx s LEU 12 N -6.88 4.29 0.00 1.46 1.43 -1.09 -5.01 118.68 112.87 2kfx s LEU 12 Ca 0.01 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2kfx s LEU 12 Cb 0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2kfx s LEU 12 CO 0.80 -0.74 0.00 0.41 0.23 0.00 0.00 176.35 177.05 2kfx n THR 13 N 4.88 0.00 0.00 5.49 -1.04 -1.26 -5.01 114.28 117.34 2kfx n THR 13 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2kfx n THR 13 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2kfx n THR 13 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kfx n GLU 14 N 0.00 3.63 -0.05 -2.82 1.02 -1.26 -4.66 120.64 116.50 2kfx n GLU 14 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kfx n GLU 14 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.71 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 0.80 0.00 3.49 5.08 -2.01 -2.88 114.58 119.06 2kfx h GLU 15 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2kfx h GLU 15 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kfx h GLU 15 CO 0.00 1.17 0.00 0.00 -1.00 0.00 0.00 179.01 179.18 2kfx n GLN 16 N -3.98 0.17 -0.03 2.33 -0.00 -1.26 -3.57 117.38 111.04 2kfx n GLN 16 Ca -0.05 0.17 -0.14 0.00 -0.00 0.00 0.00 57.00 56.98 2kfx n GLN 16 Cb 0.65 -1.71 -0.11 0.00 -0.00 0.00 0.00 30.24 29.07 2kfx n GLN 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2kfx h LYS 17 N 0.00 0.10 0.00 2.61 3.64 -1.78 -3.09 116.57 118.05 2kfx h LYS 17 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2kfx h LYS 17 Cb 0.63 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2kfx h LYS 17 CO 0.00 0.79 0.03 -0.91 -2.27 0.00 0.00 179.45 177.09 2kfx h ASN 18 N -0.57 0.00 -0.10 4.20 2.35 -1.58 -1.04 115.58 118.84 2kfx h ASN 18 Ca -0.01 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2kfx h ASN 18 Cb 0.82 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.19 2kfx h ASN 18 CO 0.02 0.00 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.92 2kfx h GLU 19 N 0.00 0.56 0.15 0.81 4.39 -1.64 -2.92 114.58 115.93 2kfx h GLU 19 Ca 0.00 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2kfx h GLU 19 Cb 0.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2kfx h GLU 19 CO 0.00 1.09 -0.07 0.74 -1.16 0.00 0.00 179.01 179.60 2kfx h PHE 20 N 0.17 -0.19 -1.18 4.33 0.04 -1.25 -3.22 116.94 115.64 2kfx h PHE 20 Ca -0.04 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.09 2kfx h PHE 20 Cb 1.20 0.06 -0.12 0.00 2.20 0.00 0.00 35.95 39.30 2kfx h PHE 20 CO 0.11 0.18 0.75 0.87 -0.60 0.00 0.00 178.31 179.62 2kfx h LYS 21 N -0.95 0.21 -0.00 1.51 1.57 -1.51 1.79 116.57 119.19 2kfx h LYS 21 Ca -0.02 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2kfx h LYS 21 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kfx h LYS 21 CO 0.03 0.14 -0.29 0.00 -0.57 0.00 0.00 179.45 178.77 2kfx h ALA 22 N 1.64 1.52 -0.03 3.86 0.00 -1.55 -2.96 119.26 121.73 2kfx h ALA 22 Ca 0.73 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2kfx h ALA 22 Cb 2.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2kfx h ALA 22 CO -0.40 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 2kfx h ALA 23 N 1.71 0.05 -0.62 0.00 0.00 0.27 -3.20 119.26 117.46 2kfx h ALA 23 Ca -0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 2kfx h ALA 23 Cb 0.51 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 2kfx h ALA 23 CO 0.04 -0.25 -0.31 0.74 0.00 0.00 0.00 179.25 179.46 2kfx h PHE 24 N -0.29 -0.84 -0.92 0.00 -1.00 -1.31 0.22 116.94 112.81 2kfx h PHE 24 Ca 0.01 0.07 0.26 0.00 2.81 0.00 0.00 57.97 61.12 2kfx h PHE 24 Cb 0.39 0.46 -0.16 0.00 3.61 0.00 0.00 35.95 40.25 2kfx h PHE 24 CO 0.05 -0.37 0.16 -0.44 -1.61 0.00 0.00 178.31 176.10 2kfx h ASP 25 N -0.13 -0.19 0.17 2.17 3.32 -1.55 0.42 116.42 120.62 2kfx h ASP 25 Ca 0.25 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 2kfx h ASP 25 Cb 0.55 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2kfx h ASP 25 CO -0.70 -0.26 -0.08 0.40 -1.72 0.00 0.00 179.24 176.88 2kfx h ILE 26 N 0.10 0.91 0.00 0.35 1.08 -0.63 0.73 117.51 120.05 2kfx h ILE 26 Ca 0.58 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.70 2kfx h ILE 26 Cb 1.22 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 36.10 2kfx h ILE 26 CO -0.77 0.08 -0.00 -0.26 -0.69 0.00 0.00 178.15 176.51 2kfx h PHE 27 N -0.40 0.00 -1.17 1.37 0.04 0.05 -3.27 116.94 113.56 2kfx h PHE 27 Ca -0.02 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.36 2kfx h PHE 27 Cb 0.31 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.19 2kfx h PHE 27 CO -0.01 0.00 -0.79 1.33 -0.60 0.00 0.00 178.31 178.24 2kfx n VAL 28 N -3.19 -0.42 -0.62 -0.55 0.24 0.11 -4.70 118.33 109.22 2kfx n VAL 28 Ca -0.03 -2.63 -0.01 0.00 -2.04 0.00 0.00 64.34 59.63 2kfx n VAL 28 Cb 0.09 -0.27 0.28 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.86 5.19 0.00 1.34 -0.00 0.25 -4.18 117.00 121.45 2kfx n LEU 29 Ca 0.17 -2.67 0.00 0.00 -0.00 0.00 0.00 56.01 53.51 2kfx n LEU 29 Cb 0.56 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2kfx n LEU 29 CO 0.09 0.66 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 2kfx n GLY 30 N 0.16 0.51 3.85 1.47 0.00 -1.26 -5.07 105.19 104.84 2kfx n GLY 30 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 2.96 0.00 4.61 0.00 -1.26 -5.03 121.76 123.04 2kfx s ALA 31 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2kfx s ALA 31 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2kfx s ALA 31 CO 0.00 -0.72 0.35 0.39 0.00 0.00 0.00 175.76 175.79 2kfx n GLU 32 N -2.49 0.00 -0.00 0.00 1.02 -1.26 -4.58 120.64 113.33 2kfx n GLU 32 Ca 0.07 0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2kfx n GLU 32 Cb 0.54 -0.85 -0.00 0.00 -0.02 0.00 0.00 31.44 31.10 2kfx n GLU 32 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2kfx h ASP 33 N 0.00 -0.00 0.00 1.62 2.03 -1.99 -3.49 116.42 114.59 2kfx h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kfx h ASP 33 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kfx h ASP 33 CO 0.00 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 2kfx n GLY 34 N 1.81 0.00 3.65 7.15 0.00 -1.26 -5.12 105.19 111.41 2kfx n GLY 34 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 7.00 0.45 1.61 1.04 -1.26 -4.85 113.70 117.69 2kfx s SER 35 Ca 0.00 1.22 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 2kfx s SER 35 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2kfx s SER 35 CO 0.00 -0.70 0.85 -0.63 0.98 0.00 0.00 173.24 173.74 2kfx s ILE 36 N 3.26 4.69 0.23 -1.02 1.01 -1.26 -4.96 121.20 123.15 2kfx s ILE 36 Ca 0.43 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.73 2kfx s ILE 36 Cb -0.14 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2kfx s ILE 36 CO 0.09 -0.59 0.60 -0.55 0.00 0.00 0.00 174.94 174.49 2kfx s SER 37 N -3.14 -0.28 0.00 3.58 0.15 -1.26 -3.97 113.70 108.78 2kfx s SER 37 Ca 0.54 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2kfx s SER 37 Cb -0.10 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2kfx s SER 37 CO 0.32 -1.17 0.73 0.35 1.20 0.00 0.00 173.24 174.67 2kfx n THR 38 N -0.40 1.03 -0.00 6.45 -2.24 -1.26 -1.22 114.28 116.64 2kfx n THR 38 Ca -0.08 0.44 -0.03 0.00 -2.27 0.00 0.00 64.05 62.11 2kfx n THR 38 Cb 0.61 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.11 -0.02 -0.78 1.57 -1.96 -3.34 116.57 111.94 2kfx h LYS 39 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kfx h LYS 39 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2kfx h LYS 39 CO 0.00 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 2kfx n GLU 40 N -4.84 1.33 0.06 3.15 -0.58 -0.55 -4.14 120.64 115.07 2kfx n GLU 40 Ca -0.03 -0.48 -0.03 0.00 -0.42 0.00 0.00 57.16 56.20 2kfx n GLU 40 Cb 0.10 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.13 -0.16 0.00 -4.62 7.12 -1.28 -3.19 115.31 114.31 2kfx h LEU 41 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kfx h LEU 41 Cb 0.24 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2kfx h LEU 41 CO 0.00 0.04 0.09 0.61 -0.13 0.00 0.00 178.44 179.05 2kfx n GLY 42 N 0.92 -0.29 0.18 3.75 0.00 -1.25 -0.89 105.19 107.61 2kfx n GLY 42 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2kfx n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kfx h LYS 43 N 0.00 0.58 0.08 1.61 3.64 -1.72 -3.03 116.57 117.73 2kfx h LYS 43 Ca 0.00 -0.55 -0.18 0.00 -1.27 0.00 0.00 60.65 58.65 2kfx h LYS 43 Cb 0.18 0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2kfx h LYS 43 CO 0.00 1.17 -0.75 0.28 -2.27 0.00 0.00 179.45 177.88 2kfx h VAL 44 N 0.19 1.46 0.00 2.00 2.07 -1.09 -3.15 116.25 117.73 2kfx h VAL 44 Ca -0.07 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2kfx h VAL 44 Cb 1.37 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 2kfx h VAL 44 CO 0.14 0.67 0.02 0.23 0.02 0.00 0.00 177.57 178.65 2kfx n MET 45 N -4.14 0.06 -0.02 1.57 2.81 -1.11 -1.35 117.12 114.95 2kfx n MET 45 Ca -0.12 0.55 -0.17 0.00 -1.81 0.00 0.00 57.70 56.15 2kfx n MET 45 Cb 0.77 -1.73 -0.09 0.00 -0.71 0.00 0.00 33.22 31.46 2kfx n MET 45 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2kfx h ARG 46 N 0.00 0.58 0.00 0.03 2.43 -1.48 -1.94 114.38 114.00 2kfx h ARG 46 Ca 0.00 -0.51 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2kfx h ARG 46 Cb 0.04 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2kfx h ARG 46 CO 0.00 1.13 -0.00 0.52 -1.51 0.00 0.00 179.97 180.11 2kfx h MET 47 N 0.20 0.00 0.00 0.20 2.86 -1.35 -3.28 114.93 113.57 2kfx h MET 47 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kfx h MET 47 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2kfx h MET 47 CO 0.13 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.38 2kfx n LEU 48 N -4.31 1.85 0.00 1.22 4.32 -1.18 -4.99 117.00 113.91 2kfx n LEU 48 Ca -0.03 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 2kfx n LEU 48 Cb 0.09 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2kfx n LEU 48 CO 0.32 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2kfx n GLY 49 N 1.60 0.00 3.20 -0.72 0.00 -1.11 -5.15 105.19 103.01 2kfx n GLY 49 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.02 -0.36 1.61 -1.52 -0.75 -5.06 119.66 114.61 2kfx s GLN 50 Ca 0.00 -1.49 0.04 0.00 -1.95 0.00 0.00 55.36 51.96 2kfx s GLN 50 Cb 0.00 -0.07 0.32 0.00 -0.22 0.00 0.00 33.01 33.03 2kfx s GLN 50 CO 0.00 -0.17 1.31 -1.71 -0.25 0.00 0.00 175.29 174.47 2kfx n ASN 51 N -0.17 -1.49 -3.60 5.90 5.15 -1.26 -3.49 115.26 116.30 2kfx n ASN 51 Ca -0.07 -2.22 -0.26 0.00 -0.60 0.00 0.00 54.58 51.44 2kfx n ASN 51 Cb 0.63 1.24 0.19 0.00 -0.53 0.00 0.00 39.78 41.32 2kfx n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2kfx n PRO 52 N 0.67 -1.65 -2.43 1.20 -0.04 -1.26 -5.04 135.00 126.44 2kfx n PRO 52 Ca -0.02 -1.73 -0.33 0.00 -0.04 0.00 0.00 63.50 61.39 2kfx n PRO 52 Cb 0.74 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.89 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 -3.31 4.28 -1.12 0.52 -1.32 -1.26 -4.93 115.64 108.49 2kfx s THR 53 Ca 0.65 1.19 0.12 0.00 -1.21 0.00 0.00 61.69 62.44 2kfx s THR 53 Cb -0.03 -3.60 0.13 0.00 -1.51 0.00 0.00 72.50 67.49 2kfx s THR 53 CO 0.47 -0.53 1.35 -0.81 -2.21 0.00 0.00 174.62 172.89 2kfx n PRO 54 N -1.42 0.05 0.08 7.08 -0.04 -1.26 -2.22 135.00 137.27 2kfx n PRO 54 Ca 0.07 0.26 -0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2kfx n PRO 54 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.14 0.08 0.54 4.81 -1.96 -3.03 114.58 115.15 2kfx h GLU 55 Ca 0.00 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 2kfx h GLU 55 Cb 0.18 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.66 2kfx h GLU 55 CO 0.00 1.09 -0.47 0.93 -0.73 0.00 0.00 179.01 179.83 2kfx h GLU 56 N 0.04 0.18 -0.86 1.92 5.08 -1.83 -3.33 114.58 115.77 2kfx h GLU 56 Ca -0.09 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2kfx h GLU 56 Cb 1.88 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 31.18 2kfx h GLU 56 CO 0.16 1.14 0.51 -0.07 -1.00 0.00 0.00 179.01 179.76 2kfx h LEU 57 N -0.63 0.77 -1.90 1.33 3.38 -1.67 -0.44 115.31 116.14 2kfx h LEU 57 Ca -0.08 0.04 0.40 0.00 0.09 0.00 0.00 57.88 58.32 2kfx h LEU 57 Cb 1.37 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2kfx h LEU 57 CO 0.09 0.46 0.97 -0.61 0.09 0.00 0.00 178.44 179.44 2kfx h GLN 58 N 0.89 0.04 -0.30 1.13 5.75 -1.64 1.22 115.11 122.20 2kfx h GLN 58 Ca 0.40 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.89 2kfx h GLN 58 Cb 0.30 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2kfx h GLN 58 CO -0.22 0.02 0.14 0.93 -2.65 0.00 0.00 178.83 177.05 2kfx h GLU 59 N 0.04 0.41 0.00 1.69 5.08 -1.23 0.77 114.58 121.34 2kfx h GLU 59 Ca 0.67 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.84 2kfx h GLU 59 Cb 2.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.73 2kfx h GLU 59 CO -0.06 0.33 -0.72 0.52 -1.00 0.00 0.00 179.01 178.07 2kfx h MET 60 N 0.41 0.00 0.00 2.33 2.86 0.14 -3.01 114.93 117.66 2kfx h MET 60 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kfx h MET 60 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2kfx h MET 60 CO -0.01 0.72 -0.99 0.82 1.06 0.00 0.00 176.91 178.51 2kfx h ILE 61 N 0.00 0.00 0.00 -1.22 5.03 -1.09 -3.33 117.51 116.90 2kfx h ILE 61 Ca -0.01 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.74 2kfx h ILE 61 Cb 1.31 1.49 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 2kfx h ILE 61 CO 0.09 0.00 0.00 -0.78 -0.68 0.00 0.00 178.15 176.78 2kfx h ASP 62 N 0.00 0.00 0.52 1.72 1.82 0.57 -0.98 116.42 120.07 2kfx h ASP 62 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 2kfx h ASP 62 Cb 0.99 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.02 2kfx h ASP 62 CO 0.00 0.00 -1.33 1.05 -1.61 0.00 0.00 179.24 177.35 2kfx h GLU 63 N 0.00 0.34 0.05 0.28 4.11 -1.63 -3.34 114.58 114.38 2kfx h GLU 63 Ca 0.00 -0.58 -0.30 0.00 0.07 0.00 0.00 59.36 58.55 2kfx h GLU 63 Cb 0.92 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2kfx h GLU 63 CO 0.00 1.27 -1.67 -0.39 0.07 0.00 0.00 179.01 178.30 2kfx h VAL 64 N 0.09 0.94 -0.06 -1.06 -1.51 -1.69 -3.42 116.25 109.54 2kfx h VAL 64 Ca -0.17 -2.72 -0.09 0.00 -1.23 0.00 0.00 66.70 62.49 2kfx h VAL 64 Cb 2.03 2.54 0.02 0.00 -2.13 0.00 0.00 31.29 33.75 2kfx h VAL 64 CO 0.22 0.67 0.27 0.47 -1.23 0.00 0.00 177.57 177.97 2kfx n ASP 65 N -3.23 1.07 -1.16 4.19 9.92 -0.37 -4.66 116.55 122.30 2kfx n ASP 65 Ca -0.18 -2.41 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 2kfx n ASP 65 Cb 1.04 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 2kfx n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kfx n GLU 66 N 7.88 0.99 0.00 -1.24 -0.58 -1.26 -2.58 120.64 123.84 2kfx n GLU 66 Ca 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2kfx n GLU 66 Cb 0.46 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 2kfx n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2kfx n ASP 67 N 0.82 0.00 -3.32 1.62 5.75 -1.26 -5.08 116.55 115.08 2kfx n ASP 67 Ca 0.00 -1.00 -0.27 0.00 -0.01 0.00 0.00 54.79 53.51 2kfx n ASP 67 Cb 0.49 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.61 2kfx n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kfx n GLY 68 N 0.00 -0.29 0.00 6.12 0.00 -1.07 -4.93 105.19 105.03 2kfx n GLY 68 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.04 2kfx n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfx n SER 69 N 0.01 0.00 -3.35 1.61 3.41 -1.26 -5.05 113.62 108.98 2kfx n SER 69 Ca -0.03 -0.24 -0.16 0.00 -0.26 0.00 0.00 58.87 58.17 2kfx n SER 69 Cb 0.60 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.63 2kfx n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfx n GLY 70 N 0.00 -0.70 3.63 5.00 0.00 -1.26 -5.02 105.19 106.84 2kfx n GLY 70 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2kfx n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kfx s THR 71 N -3.37 0.00 -0.40 2.61 -4.23 -1.26 -4.67 115.64 104.31 2kfx s THR 71 Ca 0.19 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2kfx s THR 71 Cb -0.03 -2.24 0.16 0.00 1.34 0.00 0.00 72.50 71.74 2kfx s THR 71 CO 0.73 0.00 0.39 -0.69 -0.54 0.00 0.00 174.62 174.51 2kfx s VAL 72 N -3.86 -0.13 0.68 2.29 1.01 -1.25 -4.67 120.40 114.47 2kfx s VAL 72 Ca 0.21 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 2kfx s VAL 72 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2kfx s VAL 72 CO 0.10 -0.79 1.06 1.51 0.00 0.00 0.00 175.10 176.98 2kfx s ASP 73 N 0.83 5.47 0.00 3.32 1.47 -1.26 -4.49 116.67 122.01 2kfx s ASP 73 Ca 0.24 1.04 0.00 0.00 1.18 0.00 0.00 52.55 55.01 2kfx s ASP 73 Cb -0.08 -1.87 0.00 0.00 -0.34 0.00 0.00 42.92 40.63 2kfx s ASP 73 CO -0.08 -1.29 0.67 0.33 0.68 0.00 0.00 175.17 175.48 2kfx n PHE 74 N -2.92 0.00 0.00 2.11 7.35 -1.26 -2.18 117.46 120.56 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 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.17 0.00 0.08 -2.13 8.00 -1.26 -3.90 116.55 116.17 2kfx n ASP 75 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2kfx n ASP 75 Cb 0.10 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 2kfx n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kfx n GLU 76 N 0.00 0.03 0.39 -1.24 0.28 -1.23 -1.27 120.64 117.60 2kfx n GLU 76 Ca 0.00 0.36 -0.17 0.00 -0.16 0.00 0.00 57.16 57.20 2kfx n GLU 76 Cb 0.00 -1.99 -0.08 0.00 1.43 0.00 0.00 31.44 30.80 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 -0.92 -0.87 -1.84 3.57 -1.60 -2.84 116.94 112.44 2kfx h PHE 77 Ca 0.00 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.69 2kfx h PHE 77 Cb 0.77 0.30 -0.12 0.00 2.79 0.00 0.00 35.95 39.69 2kfx h PHE 77 CO 0.00 -0.55 0.34 -0.07 -2.23 0.00 0.00 178.31 175.80 2kfx h LEU 78 N -1.16 0.24 -0.47 0.59 3.38 -1.30 0.93 115.31 117.53 2kfx h LEU 78 Ca -0.10 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2kfx h LEU 78 Cb 0.78 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2kfx h LEU 78 CO 0.17 -0.02 -0.06 0.58 0.09 0.00 0.00 178.44 179.20 2kfx h VAL 79 N 0.36 0.58 -0.43 1.22 2.07 -1.62 -0.22 116.25 118.21 2kfx h VAL 79 Ca 0.53 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 68.11 2kfx h VAL 79 Cb 1.00 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 2kfx h VAL 79 CO -0.54 0.01 -0.42 -0.03 0.02 0.00 0.00 177.57 176.61 2kfx h MET 80 N 0.05 -0.30 0.81 1.57 1.85 -0.57 0.15 114.93 118.49 2kfx h MET 80 Ca 0.23 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.30 2kfx h MET 80 Cb 0.35 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.45 2kfx h MET 80 CO -0.44 -0.20 -0.44 0.52 -0.40 0.00 0.00 176.91 175.96 2kfx h MET 81 N -0.31 -1.11 -0.97 0.39 2.07 -1.30 -1.90 114.93 111.80 2kfx h MET 81 Ca 0.15 0.08 0.32 0.00 -2.07 0.00 0.00 59.70 58.17 2kfx h MET 81 Cb 0.58 0.25 -0.16 0.00 -1.87 0.00 0.00 31.60 30.40 2kfx h MET 81 CO -0.59 -0.74 0.45 0.28 1.07 0.00 0.00 176.91 177.38 2kfx h VAL 82 N -1.15 0.22 0.00 -2.22 2.07 -0.57 0.53 116.25 115.12 2kfx h VAL 82 Ca -0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2kfx h VAL 82 Cb 0.90 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2kfx h VAL 82 CO 0.15 0.04 0.00 0.54 0.02 0.00 0.00 177.57 178.32 2kfx n ARG 83 N -5.16 0.00 -0.39 1.57 1.74 0.48 -0.76 116.66 114.14 2kfx n ARG 83 Ca 0.30 0.40 0.33 0.00 -0.77 0.00 0.00 57.85 58.11 2kfx n ARG 83 Cb 0.96 -1.28 0.64 0.00 -1.02 0.00 0.00 32.46 31.77 2kfx n ARG 83 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2kfx h SER 84 N 0.00 0.22 0.00 0.55 0.02 -0.81 0.61 113.55 114.15 2kfx h SER 84 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2kfx h SER 84 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2kfx h SER 84 CO 0.00 -0.02 0.00 0.23 -1.14 0.00 0.00 176.83 175.90 2kfx n MET 85 N -4.46 0.00 0.32 3.45 2.81 0.18 -1.01 117.12 118.41 2kfx n MET 85 Ca 0.30 0.30 0.15 0.00 -1.81 0.00 0.00 57.70 56.65 2kfx n MET 85 Cb 1.23 -1.09 0.80 0.00 -0.71 0.00 0.00 33.22 33.44 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 -0.98 0.03 3.64 -0.51 -3.35 116.57 115.41 2kfx h LYS 86 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 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 -0.33 -0.51 -2.27 0.00 0.00 179.45 176.34 2kfx s ASP 87 N -4.45 -1.51 0.42 4.20 1.01 0.21 -5.07 116.67 111.47 2kfx s ASP 87 Ca -0.03 0.44 -0.22 0.00 0.71 0.00 0.00 52.55 53.45 2kfx s ASP 87 Cb 0.09 2.07 -0.10 0.00 1.01 0.00 0.00 42.92 45.98 2kfx s ASP 87 CO 0.28 -0.28 0.97 1.51 0.21 0.00 0.00 175.17 177.87 2kfx s ASP 88 N 2.84 6.88 0.00 0.27 -4.77 -0.18 -3.32 116.67 118.40 2kfx s ASP 88 Ca 0.14 1.78 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 2kfx s ASP 88 Cb -0.12 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2kfx s ASP 88 CO -0.24 -0.40 0.00 -1.54 0.70 0.00 0.00 175.17 173.69