#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 -3.47 -0.07 7.83 9.92 -1.26 -4.90 116.55 124.60 2kfx n ASP 2 Ca 0.00 -0.82 -0.13 0.00 -0.53 0.00 0.00 54.79 53.32 2kfx n ASP 2 Cb 0.00 -3.81 -0.12 0.00 -0.64 0.00 0.00 41.12 36.55 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 -1.99 -0.00 0.00 -2.24 3.32 -2.06 -3.26 116.42 110.20 2kfx h ASP 3 Ca -0.59 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 55.57 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 0.94 0.63 0.16 -1.72 0.00 0.00 179.24 179.90 2kfx h ILE 4 N -0.99 0.00 0.00 0.35 -2.65 -2.00 0.13 117.51 112.35 2kfx h ILE 4 Ca -0.00 0.00 -0.04 0.00 1.03 0.00 0.00 64.86 65.85 2kfx h ILE 4 Cb 0.89 0.12 -0.01 0.00 -2.05 0.00 0.00 36.82 35.77 2kfx h ILE 4 CO 0.00 0.00 -0.59 1.88 0.03 0.00 0.00 178.15 179.47 2kfx h TYR 5 N 0.00 0.00 -0.92 0.16 0.05 -1.95 -3.37 116.97 110.94 2kfx h TYR 5 Ca 0.00 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.96 2kfx h TYR 5 Cb 1.26 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.93 2kfx h TYR 5 CO 0.00 0.25 0.59 0.87 -1.05 0.00 0.00 178.16 178.82 2kfx h LYS 6 N -1.00 0.56 -0.92 4.88 1.79 -0.86 0.16 116.57 121.18 2kfx h LYS 6 Ca -0.06 -0.03 0.20 0.00 -2.18 0.00 0.00 60.65 58.58 2kfx h LYS 6 Cb 0.60 -0.13 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 2kfx h LYS 6 CO -0.03 0.37 0.60 0.00 -1.08 0.00 0.00 179.45 179.30 2kfx h ALA 7 N 1.61 2.15 -0.09 3.86 0.00 -1.37 0.27 119.26 125.69 2kfx h ALA 7 Ca 0.48 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.25 2kfx h ALA 7 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kfx h ALA 7 CO -0.22 -0.44 -0.64 0.00 0.00 0.00 0.00 179.25 177.94 2kfx h ALA 8 N 1.61 0.72 0.00 0.00 0.00 -0.84 -2.85 119.26 117.91 2kfx h ALA 8 Ca 0.48 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kfx h ALA 8 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kfx h ALA 8 CO -0.20 0.74 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 2kfx h VAL 9 N 0.26 0.10 0.00 0.00 2.07 -0.37 0.50 116.25 118.81 2kfx h VAL 9 Ca -0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2kfx h VAL 9 Cb 1.18 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2kfx h VAL 9 CO 0.11 0.01 -0.15 -0.33 0.02 0.00 0.00 177.57 177.22 2kfx h GLU 10 N 0.00 0.00 0.00 1.57 4.39 -1.24 -2.98 114.58 116.32 2kfx h GLU 10 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2kfx h GLU 10 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2kfx h GLU 10 CO 0.00 0.15 -0.32 1.96 -1.16 0.00 0.00 179.01 179.64 2kfx h GLN 11 N 0.00 0.00 -6.23 2.33 4.20 -1.00 -3.43 115.11 110.98 2kfx h GLN 11 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2kfx h GLN 11 Cb 0.91 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2kfx h GLN 11 CO 0.02 0.32 0.81 -0.51 -0.67 0.00 0.00 178.83 178.79 2kfx s LEU 12 N -6.67 4.23 0.59 1.46 1.43 -1.13 -5.01 118.68 113.58 2kfx s LEU 12 Ca 0.02 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 2kfx s LEU 12 Cb 0.09 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 2kfx s LEU 12 CO 0.68 -0.68 1.02 -0.89 0.23 0.00 0.00 176.35 176.72 2kfx s THR 13 N 2.85 4.48 -0.90 5.49 2.01 -1.26 -4.89 115.64 123.41 2kfx s THR 13 Ca 0.56 0.96 -0.06 0.00 0.31 0.00 0.00 61.69 63.46 2kfx s THR 13 Cb -0.23 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2kfx s THR 13 CO 0.19 -0.90 2.09 -0.62 -0.69 0.00 0.00 174.62 174.69 2kfx n GLU 14 N -2.33 2.04 0.00 4.92 1.02 -1.26 -2.96 120.64 122.07 2kfx n GLU 14 Ca 0.07 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 2kfx n GLU 14 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 2kfx n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kfx n GLU 15 N 4.34 0.00 -0.00 3.49 1.02 -1.26 -4.86 120.64 123.37 2kfx n GLU 15 Ca 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.59 2kfx n GLU 15 Cb 0.14 -0.09 0.06 0.00 -0.02 0.00 0.00 31.44 31.53 2kfx n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kfx n GLN 16 N -2.08 1.00 -0.10 3.49 -0.00 -1.15 -3.29 117.38 115.25 2kfx n GLN 16 Ca 0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.00 56.81 2kfx n GLN 16 Cb 0.00 -1.03 -0.13 0.00 -0.00 0.00 0.00 30.24 29.08 2kfx n GLN 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2kfx n LYS 17 N -0.52 0.68 -0.15 2.61 5.02 -1.26 -4.26 118.16 120.28 2kfx n LYS 17 Ca 0.01 0.17 0.28 0.00 -2.02 0.00 0.00 58.31 56.75 2kfx n LYS 17 Cb 0.01 -1.56 0.59 0.00 -0.02 0.00 0.00 35.03 34.04 2kfx n LYS 17 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kfx h ASN 18 N 0.02 0.00 0.00 4.39 -0.26 -1.91 0.28 115.58 118.10 2kfx h ASN 18 Ca -0.54 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.18 2kfx h ASN 18 Cb 1.95 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.21 2kfx h ASN 18 CO -0.04 0.00 -0.10 1.05 -1.06 0.00 0.00 177.43 177.27 2kfx h GLU 19 N 0.00 0.00 -0.41 0.81 9.09 -1.78 -2.16 114.58 120.12 2kfx h GLU 19 Ca 0.42 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.84 2kfx h GLU 19 Cb 2.31 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.39 2kfx h GLU 19 CO -0.00 0.85 0.27 0.74 0.05 0.00 0.00 179.01 180.92 2kfx h PHE 20 N -1.00 0.51 0.00 2.06 0.04 -0.76 -0.81 116.94 116.98 2kfx h PHE 20 Ca -0.03 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.59 2kfx h PHE 20 Cb 0.88 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 2kfx h PHE 20 CO 0.22 0.32 -0.77 0.87 -0.60 0.00 0.00 178.31 178.35 2kfx h LYS 21 N 0.55 0.00 0.00 1.51 1.57 -0.91 -2.99 116.57 116.30 2kfx h LYS 21 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kfx h LYS 21 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2kfx h LYS 21 CO -0.03 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 2kfx n ALA 22 N -2.34 2.40 -0.06 3.86 0.00 -0.40 -3.72 120.51 120.23 2kfx n ALA 22 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2kfx n ALA 22 Cb 0.79 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2kfx n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kfx h ALA 23 N 3.27 0.01 -0.74 0.00 0.00 -1.14 -3.34 119.26 117.32 2kfx h ALA 23 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.80 2kfx h ALA 23 Cb 0.33 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 2kfx h ALA 23 CO 0.00 0.06 -0.14 0.74 0.00 0.00 0.00 179.25 179.91 2kfx h PHE 24 N -1.00 -0.31 -0.93 0.00 0.04 -1.64 0.31 116.94 113.40 2kfx h PHE 24 Ca -0.01 0.06 0.28 0.00 2.80 0.00 0.00 57.97 61.09 2kfx h PHE 24 Cb 0.44 0.25 -0.15 0.00 2.20 0.00 0.00 35.95 38.69 2kfx h PHE 24 CO 0.09 -0.30 0.35 -0.44 -0.60 0.00 0.00 178.31 177.41 2kfx h ASP 25 N 0.02 0.15 0.56 2.17 5.19 -1.71 -1.13 116.42 121.67 2kfx h ASP 25 Ca 0.37 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.95 2kfx h ASP 25 Cb 0.58 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2kfx h ASP 25 CO -0.73 -0.18 -0.27 0.40 -3.12 0.00 0.00 179.24 175.34 2kfx h ILE 26 N 0.22 0.00 -0.05 0.35 1.08 -0.50 -1.21 117.51 117.40 2kfx h ILE 26 Ca 0.63 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.11 2kfx h ILE 26 Cb 1.37 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2kfx h ILE 26 CO -0.66 0.00 -0.06 -0.26 -0.69 0.00 0.00 178.15 176.48 2kfx h PHE 27 N -0.76 -0.18 -0.35 1.37 0.04 -1.15 -1.10 116.94 114.81 2kfx h PHE 27 Ca -0.08 0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.41 2kfx h PHE 27 Cb 0.58 0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.71 2kfx h PHE 27 CO 0.09 -0.05 -0.12 1.33 -0.60 0.00 0.00 178.31 178.96 2kfx n VAL 28 N -3.00 3.09 0.91 -0.55 0.24 -0.53 -4.52 118.33 113.98 2kfx n VAL 28 Ca -0.00 -1.98 0.08 0.00 -2.04 0.00 0.00 64.34 60.40 2kfx n VAL 28 Cb 0.03 -1.86 0.44 0.00 -1.47 0.00 0.00 33.84 30.99 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 1.94 0.00 -0.39 1.34 -0.00 -0.42 -3.62 117.00 115.85 2kfx n LEU 29 Ca 0.44 0.05 -0.01 0.00 -0.00 0.00 0.00 56.01 56.49 2kfx n LEU 29 Cb 0.79 -0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 44.15 2kfx n LEU 29 CO 0.19 -0.02 0.08 0.61 -0.00 0.00 0.00 177.39 178.25 2kfx n GLY 30 N -0.05 0.03 3.82 1.47 0.00 -1.26 -5.06 105.19 104.14 2kfx n GLY 30 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 2.89 0.00 4.61 0.00 -1.24 -5.01 121.76 123.01 2kfx s ALA 31 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2kfx s ALA 31 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2kfx s ALA 31 CO 0.00 -0.51 0.12 0.39 0.00 0.00 0.00 175.76 175.77 2kfx n GLU 32 N -1.71 0.00 0.00 0.00 1.02 -1.26 -4.72 120.64 113.97 2kfx n GLU 32 Ca 0.08 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2kfx n GLU 32 Cb 0.53 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 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 -0.21 0.00 -2.74 1.62 5.68 -1.26 -5.04 116.55 114.61 2kfx n ASP 33 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 2kfx n ASP 33 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 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 4.30 -0.78 3.38 6.12 0.00 -1.26 -5.09 105.19 111.86 2kfx n GLY 34 Ca 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 0.50 -0.58 0.59 1.61 1.04 -1.26 -4.93 113.70 110.66 2kfx s SER 35 Ca 0.29 1.11 -0.14 0.00 0.48 0.00 0.00 55.95 57.69 2kfx s SER 35 Cb 0.07 1.21 -0.05 0.00 0.10 0.00 0.00 66.02 67.35 2kfx s SER 35 CO -0.09 -0.22 1.02 -0.63 0.98 0.00 0.00 173.24 174.31 2kfx s ILE 36 N 1.95 4.43 0.19 -1.02 1.01 -1.26 -4.94 121.20 121.55 2kfx s ILE 36 Ca -0.07 0.96 -0.23 0.00 0.00 0.00 0.00 60.65 61.32 2kfx s ILE 36 Cb -0.09 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.75 2kfx s ILE 36 CO -0.15 -0.86 0.63 -0.55 0.00 0.00 0.00 174.94 174.01 2kfx s SER 37 N -3.55 -0.49 0.41 3.58 0.15 -1.26 -3.85 113.70 108.68 2kfx s SER 37 Ca 0.58 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 57.17 2kfx s SER 37 Cb -0.12 0.63 0.50 0.00 -1.71 0.00 0.00 66.02 65.32 2kfx s SER 37 CO 0.44 -1.06 1.15 0.71 1.20 0.00 0.00 173.24 175.68 2kfx h THR 38 N 2.00 0.00 0.10 6.45 1.35 -1.94 0.44 112.91 121.31 2kfx h THR 38 Ca -0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2kfx h THR 38 Cb 1.29 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2kfx h THR 38 CO 0.34 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 175.68 2kfx h LYS 39 N 0.00 -0.13 -0.00 4.72 1.57 -1.98 -3.27 116.57 117.47 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 1.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2kfx h LYS 39 CO 0.00 0.32 -0.15 0.39 -0.57 0.00 0.00 179.45 179.44 2kfx n GLU 40 N -4.83 0.36 0.00 3.15 -0.58 0.61 -3.94 120.64 115.41 2kfx n GLU 40 Ca -0.06 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2kfx n GLU 40 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2kfx n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2kfx n LEU 41 N -1.22 0.03 -0.35 -4.62 -0.00 0.12 -3.54 117.00 107.42 2kfx n LEU 41 Ca 0.11 0.75 0.25 0.00 -0.00 0.00 0.00 56.01 57.11 2kfx n LEU 41 Cb 0.30 -0.49 0.51 0.00 -0.00 0.00 0.00 43.42 43.75 2kfx n LEU 41 CO 0.27 -0.49 1.20 1.23 -0.00 0.00 0.00 177.39 179.60 2kfx h GLY 42 N 0.00 1.42 -0.28 -3.96 0.00 -1.73 0.18 103.07 98.70 2kfx h GLY 42 Ca 0.00 -0.21 0.22 0.00 0.00 0.00 0.00 47.33 47.35 2kfx h GLY 42 CO 0.00 -0.24 0.34 1.70 0.00 0.00 0.00 176.54 178.34 2kfx h LYS 43 N 0.36 0.32 0.07 4.80 3.64 -1.68 0.49 116.57 124.57 2kfx h LYS 43 Ca 0.66 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 60.01 2kfx h LYS 43 Cb 1.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2kfx h LYS 43 CO -0.38 0.21 -0.03 0.28 -2.27 0.00 0.00 179.45 177.26 2kfx h VAL 44 N 0.33 1.04 0.00 2.00 2.07 -0.69 -3.16 116.25 117.83 2kfx h VAL 44 Ca 0.55 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2kfx h VAL 44 Cb 1.08 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2kfx h VAL 44 CO -0.57 0.31 0.05 0.23 0.02 0.00 0.00 177.57 177.62 2kfx n MET 45 N -4.79 0.00 -0.10 1.57 2.81 -0.77 -1.66 117.12 114.18 2kfx n MET 45 Ca -0.07 0.41 -0.10 0.00 -1.81 0.00 0.00 57.70 56.13 2kfx n MET 45 Cb 0.29 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.48 -0.91 0.03 2.43 0.04 -2.20 114.38 114.24 2kfx h ARG 46 Ca 0.00 -0.12 0.22 0.00 -0.81 0.00 0.00 59.98 59.27 2kfx h ARG 46 Cb 0.10 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2kfx h ARG 46 CO 0.00 0.57 0.61 0.52 -1.51 0.00 0.00 179.97 180.16 2kfx h MET 47 N 0.31 0.33 -0.04 0.20 2.86 -1.48 1.25 114.93 118.35 2kfx h MET 47 Ca 0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2kfx h MET 47 Cb 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2kfx h MET 47 CO 0.00 0.22 0.00 1.28 1.06 0.00 0.00 176.91 179.47 2kfx n LEU 48 N -4.48 0.04 0.00 1.22 4.32 -0.98 -4.81 117.00 112.30 2kfx n LEU 48 Ca 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 2kfx n LEU 48 Cb 0.76 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.54 2kfx n LEU 48 CO 0.32 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 2kfx n GLY 49 N 0.43 1.50 3.73 -0.72 0.00 0.43 -4.97 105.19 105.59 2kfx n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.13 4.61 -0.45 1.61 -1.52 -0.87 -4.96 119.66 117.96 2kfx s GLN 50 Ca 0.00 1.30 0.06 0.00 -1.95 0.00 0.00 55.36 54.77 2kfx s GLN 50 Cb 0.00 -3.38 0.32 0.00 -0.22 0.00 0.00 33.01 29.73 2kfx s GLN 50 CO 0.00 0.20 1.15 -1.71 -0.25 0.00 0.00 175.29 174.68 2kfx n ASN 51 N 2.95 -2.25 -2.28 5.90 4.05 -1.26 -3.06 115.26 119.31 2kfx n ASN 51 Ca 0.01 -3.53 -0.01 0.00 0.45 0.00 0.00 54.58 51.50 2kfx n ASN 51 Cb 0.50 1.85 0.01 0.00 1.23 0.00 0.00 39.78 43.36 2kfx n ASN 51 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kfx n PRO 52 N 0.33 -0.51 -2.18 1.20 -0.04 -1.26 -5.02 135.00 127.52 2kfx n PRO 52 Ca 0.05 -0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 2kfx n PRO 52 Cb 0.71 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 34.13 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 -1.08 3.58 -1.37 0.52 -1.32 -1.26 -4.91 115.64 109.81 2kfx s THR 53 Ca 0.02 0.85 0.15 0.00 -1.21 0.00 0.00 61.69 61.50 2kfx s THR 53 Cb -0.00 -3.34 0.24 0.00 -1.51 0.00 0.00 72.50 67.89 2kfx s THR 53 CO 0.02 -0.34 1.41 -0.81 -2.21 0.00 0.00 174.62 172.69 2kfx n PRO 54 N -1.66 0.18 0.05 7.08 -0.04 -1.26 -2.33 135.00 137.02 2kfx n PRO 54 Ca 0.10 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2kfx n PRO 54 Cb 0.52 -1.50 -0.12 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 0.00 0.12 0.54 4.81 -2.00 -2.94 114.58 115.11 2kfx h GLU 55 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 2kfx h GLU 55 Cb 0.15 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.56 2kfx h GLU 55 CO 0.00 0.92 -1.21 0.93 -0.73 0.00 0.00 179.01 178.93 2kfx h GLU 56 N 0.00 0.60 -0.08 1.92 5.08 -1.85 -3.32 114.58 116.94 2kfx h GLU 56 Ca -0.05 -0.81 -0.01 0.00 -1.00 0.00 0.00 59.36 57.49 2kfx h GLU 56 Cb 1.80 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 2kfx h GLU 56 CO 0.12 1.37 0.02 -0.07 -1.00 0.00 0.00 179.01 179.45 2kfx h LEU 57 N 0.23 0.12 -1.94 1.33 3.38 -1.66 -2.56 115.31 114.21 2kfx h LEU 57 Ca -0.18 -0.22 0.41 0.00 0.09 0.00 0.00 57.88 57.98 2kfx h LEU 57 Cb 1.89 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.54 2kfx h LEU 57 CO 0.23 0.30 1.01 -0.61 0.09 0.00 0.00 178.44 179.47 2kfx h GLN 58 N -0.07 0.02 -0.54 1.13 5.75 -1.63 1.05 115.11 120.82 2kfx h GLN 58 Ca 0.03 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2kfx h GLN 58 Cb 0.23 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2kfx h GLN 58 CO -0.00 0.02 0.36 0.93 -2.65 0.00 0.00 178.83 177.49 2kfx h GLU 59 N 0.02 0.58 -0.05 1.69 5.08 -1.55 1.44 114.58 121.80 2kfx h GLU 59 Ca 0.69 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.77 2kfx h GLU 59 Cb 2.69 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 31.83 2kfx h GLU 59 CO -0.04 0.38 -0.94 0.52 -1.00 0.00 0.00 179.01 177.93 2kfx h MET 60 N 0.60 0.70 0.00 2.33 2.86 0.10 -3.15 114.93 118.36 2kfx h MET 60 Ca 0.22 -0.68 -0.10 0.00 -2.06 0.00 0.00 59.70 57.09 2kfx h MET 60 Cb 0.14 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kfx h MET 60 CO -0.06 1.27 -0.46 0.82 1.06 0.00 0.00 176.91 179.55 2kfx h ILE 61 N 0.42 0.80 0.74 -1.22 5.03 -1.17 -3.31 117.51 118.80 2kfx h ILE 61 Ca -0.10 -2.09 -0.04 0.00 -0.12 0.00 0.00 64.86 62.52 2kfx h ILE 61 Cb 1.58 2.37 0.01 0.00 -3.03 0.00 0.00 36.82 37.75 2kfx h ILE 61 CO 0.18 0.45 -0.36 -0.78 -0.68 0.00 0.00 178.15 176.97 2kfx h ASP 62 N 0.00 -0.84 0.00 1.72 1.82 0.20 -1.10 116.42 118.22 2kfx h ASP 62 Ca -0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2kfx h ASP 62 Cb 1.33 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.56 2kfx h ASP 62 CO 0.06 -0.56 0.00 -0.62 -1.61 0.00 0.00 179.24 176.51 2kfx n GLU 63 N -4.90 0.00 -0.31 0.28 1.02 -1.19 -1.58 120.64 113.95 2kfx n GLU 63 Ca -0.12 0.80 0.16 0.00 -0.02 0.00 0.00 57.16 57.98 2kfx n GLU 63 Cb 0.39 -1.48 0.34 0.00 -0.02 0.00 0.00 31.44 30.67 2kfx n GLU 63 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2kfx h VAL 64 N 0.00 0.23 -0.06 2.62 -1.51 -1.67 -3.20 116.25 112.66 2kfx h VAL 64 Ca 0.00 -0.06 -0.44 0.00 -1.23 0.00 0.00 66.70 64.98 2kfx h VAL 64 Cb 0.00 0.05 0.08 0.00 -2.13 0.00 0.00 31.29 29.29 2kfx h VAL 64 CO 0.00 0.03 1.16 0.47 -1.23 0.00 0.00 177.57 178.00 2kfx n ASP 65 N -5.25 1.47 -1.41 4.19 9.92 -0.42 -4.66 116.55 120.40 2kfx n ASP 65 Ca 0.25 -2.54 -0.01 0.00 -0.53 0.00 0.00 54.79 51.95 2kfx n ASP 65 Cb 0.79 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 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 7.90 1.05 -0.39 -1.24 -0.58 -1.21 -2.85 120.64 123.32 2kfx n GLU 66 Ca 0.46 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 2kfx n GLU 66 Cb 0.43 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 1.20 0.00 -3.08 1.62 5.75 -1.26 -5.09 116.55 115.68 2kfx n ASP 67 Ca 0.02 -1.06 -0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2kfx n ASP 67 Cb 0.51 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.97 0.00 6.12 0.00 -1.13 -4.94 105.19 104.27 2kfx n GLY 68 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.19 0.00 0.00 1.61 3.41 -1.26 -5.02 113.62 113.55 2kfx n SER 69 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kfx n SER 69 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.78 3.89 5.00 0.00 -1.26 -5.01 105.19 108.59 2kfx n GLY 70 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.17 2.37 -0.36 2.61 -4.23 -1.26 -4.60 115.64 106.99 2kfx s THR 71 Ca 0.00 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 2kfx s THR 71 Cb 0.00 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.25 2kfx s THR 71 CO 0.00 0.00 0.23 -0.69 -0.54 0.00 0.00 174.62 173.62 2kfx s VAL 72 N -2.56 0.20 0.00 2.29 1.01 -1.25 -4.69 120.40 115.40 2kfx s VAL 72 Ca 0.46 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.55 2kfx s VAL 72 Cb -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2kfx s VAL 72 CO 0.27 -1.03 0.00 -0.90 0.00 0.00 0.00 175.10 173.44 2kfx n ASP 73 N 3.83 -0.64 -0.39 3.32 5.68 -1.26 -4.43 116.55 122.67 2kfx n ASP 73 Ca 0.15 -0.52 0.02 0.00 -0.50 0.00 0.00 54.79 53.94 2kfx n ASP 73 Cb 0.39 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.44 2kfx n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2kfx n PHE 74 N -2.06 0.25 0.00 2.11 7.35 -1.26 -3.77 117.46 120.08 2kfx n PHE 74 Ca 0.00 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 2kfx n PHE 74 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.80 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 -0.01 0.00 -0.16 -2.13 9.92 -1.26 -4.58 116.55 118.33 2kfx n ASP 75 Ca 0.05 0.00 0.27 0.00 -0.53 0.00 0.00 54.79 54.58 2kfx n ASP 75 Cb 0.19 0.00 0.49 0.00 -0.64 0.00 0.00 41.12 41.17 2kfx n ASP 75 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2kfx h GLU 76 N 0.00 0.00 -1.00 -1.24 4.11 -1.90 0.38 114.58 114.93 2kfx h GLU 76 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.64 2kfx h GLU 76 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2kfx h GLU 76 CO 0.00 0.00 0.60 0.35 0.07 0.00 0.00 179.01 180.03 2kfx h PHE 77 N 0.00 1.05 0.00 2.06 3.57 -1.82 0.72 116.94 122.52 2kfx h PHE 77 Ca 0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 2kfx h PHE 77 Cb 2.61 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 41.04 2kfx h PHE 77 CO 0.00 0.18 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.10 2kfx h LEU 78 N 0.71 0.00 0.00 0.59 3.38 -0.48 -3.00 115.31 116.51 2kfx h LEU 78 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2kfx h LEU 78 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kfx h LEU 78 CO -0.41 0.09 0.00 0.52 0.09 0.00 0.00 178.44 178.73 2kfx n VAL 79 N -3.13 0.12 -0.01 1.22 0.31 0.24 -2.18 118.33 114.89 2kfx n VAL 79 Ca 0.03 0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2kfx n VAL 79 Cb 0.54 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.00 -0.09 0.00 5.55 -1.53 -1.12 -3.27 114.93 114.47 2kfx h MET 80 Ca 0.00 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2kfx h MET 80 Cb 0.44 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.51 2kfx h MET 80 CO 0.00 0.40 -0.00 0.52 0.14 0.00 0.00 176.91 177.97 2kfx h MET 81 N -0.94 -0.01 -1.46 0.39 2.86 -1.70 -3.11 114.93 110.96 2kfx h MET 81 Ca -0.01 0.00 0.47 0.00 -2.06 0.00 0.00 59.70 58.10 2kfx h MET 81 Cb 0.53 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.08 2kfx h MET 81 CO 0.02 0.68 0.98 0.28 1.06 0.00 0.00 176.91 179.93 2kfx h VAL 82 N -0.99 0.09 0.14 -2.22 2.07 -1.65 1.51 116.25 115.19 2kfx h VAL 82 Ca -0.00 -0.02 -0.30 0.00 0.82 0.00 0.00 66.70 67.20 2kfx h VAL 82 Cb 0.69 0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2kfx h VAL 82 CO 0.00 0.01 -1.28 0.03 0.02 0.00 0.00 177.57 176.35 2kfx h ARG 83 N 0.05 0.56 0.00 1.57 3.08 -1.65 -2.65 114.38 115.34 2kfx h ARG 83 Ca 0.85 -0.80 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kfx h ARG 83 Cb 2.87 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 33.19 2kfx h ARG 83 CO -0.33 1.36 -0.02 0.77 -1.07 0.00 0.00 179.97 180.69 2kfx h SER 84 N 0.23 0.00 0.00 7.04 0.02 0.16 -2.99 113.55 118.00 2kfx h SER 84 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2kfx h SER 84 Cb 1.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.50 2kfx h SER 84 CO 0.24 0.02 0.00 0.23 -1.14 0.00 0.00 176.83 176.18 2kfx n MET 85 N -3.11 0.00 -0.20 3.45 2.81 0.39 -2.39 117.12 118.08 2kfx n MET 85 Ca 0.03 0.46 0.30 0.00 -1.81 0.00 0.00 57.70 56.68 2kfx n MET 85 Cb 0.48 -0.96 0.69 0.00 -0.71 0.00 0.00 33.22 32.72 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 -1.07 0.03 3.64 -1.63 -3.34 116.57 114.20 2kfx h LYS 86 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2kfx h LYS 86 Cb 0.00 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.60 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 -4.78 -1.34 0.60 4.20 1.01 -1.13 -5.11 116.67 110.12 2kfx s ASP 87 Ca -0.04 0.58 -0.13 0.00 0.71 0.00 0.00 52.55 53.66 2kfx s ASP 87 Cb 0.19 2.04 -0.04 0.00 1.01 0.00 0.00 42.92 46.12 2kfx s ASP 87 CO 0.67 -0.28 1.03 1.51 0.21 0.00 0.00 175.17 178.30 2kfx s ASP 88 N 2.82 6.13 0.00 0.27 -4.77 -1.00 -4.01 116.67 116.11 2kfx s ASP 88 Ca 0.17 1.55 0.00 0.00 -3.30 0.00 0.00 52.55 50.96 2kfx s ASP 88 Cb -0.13 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2kfx s ASP 88 CO -0.23 -0.93 0.00 -1.54 0.70 0.00 0.00 175.17 173.17