#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 -1.39 -0.06 7.83 8.00 -1.26 -4.91 116.55 124.75 2kfx n ASP 2 Ca 0.00 -0.87 -0.09 0.00 0.71 0.00 0.00 54.79 54.54 2kfx n ASP 2 Cb 0.00 -3.76 -0.09 0.00 -0.02 0.00 0.00 41.12 37.25 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 -1.88 0.00 0.00 -2.24 3.32 -2.07 -3.27 116.42 110.29 2kfx h ASP 3 Ca -0.61 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 55.77 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 0.60 0.84 0.63 0.16 -1.72 0.00 0.00 179.24 179.74 2kfx h ILE 4 N -1.00 0.00 0.13 0.35 -2.65 -2.01 1.28 117.51 113.61 2kfx h ILE 4 Ca -0.00 0.00 -0.36 0.00 1.03 0.00 0.00 64.86 65.53 2kfx h ILE 4 Cb 0.67 0.11 -0.01 0.00 -2.05 0.00 0.00 36.82 35.54 2kfx h ILE 4 CO -0.00 0.00 -1.95 1.88 0.03 0.00 0.00 178.15 178.11 2kfx h TYR 5 N 0.00 0.50 -0.06 0.16 0.05 -1.95 -3.36 116.97 112.30 2kfx h TYR 5 Ca 0.00 -0.36 -0.00 0.00 0.05 0.00 0.00 58.73 58.42 2kfx h TYR 5 Cb 1.26 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.98 2kfx h TYR 5 CO 0.00 1.74 0.03 0.87 -1.05 0.00 0.00 178.16 179.76 2kfx h LYS 6 N 0.07 0.08 -1.11 4.88 1.79 0.16 -1.91 116.57 120.53 2kfx h LYS 6 Ca -0.41 -0.01 0.31 0.00 -2.18 0.00 0.00 60.65 58.37 2kfx h LYS 6 Cb 2.04 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 32.62 2kfx h LYS 6 CO 0.10 0.08 0.77 0.00 -1.08 0.00 0.00 179.45 179.32 2kfx h ALA 7 N 0.99 2.81 -0.02 3.86 0.00 -1.65 1.08 119.26 126.34 2kfx h ALA 7 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kfx h ALA 7 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kfx h ALA 7 CO -0.00 -1.16 -0.51 0.00 0.00 0.00 0.00 179.25 177.58 2kfx h ALA 8 N 1.49 1.13 -0.04 0.00 0.00 -1.50 -2.86 119.26 117.49 2kfx h ALA 8 Ca 0.56 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2kfx h ALA 8 Cb 1.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2kfx h ALA 8 CO -0.10 0.64 -0.63 0.28 0.00 0.00 0.00 179.25 179.44 2kfx h VAL 9 N 0.04 1.42 0.00 0.00 2.07 0.13 -2.86 116.25 117.05 2kfx h VAL 9 Ca -0.00 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 2kfx h VAL 9 Cb 0.91 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2kfx h VAL 9 CO 0.07 0.60 -0.04 -0.33 0.02 0.00 0.00 177.57 177.90 2kfx h GLU 10 N 0.11 0.00 0.02 1.57 4.39 -1.18 -1.17 114.58 118.31 2kfx h GLU 10 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2kfx h GLU 10 Cb 1.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2kfx h GLU 10 CO 0.09 0.04 -0.95 1.96 -1.16 0.00 0.00 179.01 178.99 2kfx h GLN 11 N 0.00 0.15 -6.36 2.33 4.20 -1.55 -3.44 115.11 110.44 2kfx h GLN 11 Ca -0.00 -0.18 -0.55 0.00 0.06 0.00 0.00 58.65 57.98 2kfx h GLN 11 Cb 0.11 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2kfx h GLN 11 CO 0.00 0.98 0.78 -0.51 -0.67 0.00 0.00 178.83 179.41 2kfx s LEU 12 N -7.22 4.30 0.59 1.46 1.43 -0.45 -5.01 118.68 113.80 2kfx s LEU 12 Ca -0.02 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 2kfx s LEU 12 Cb 0.10 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2kfx s LEU 12 CO 0.83 -0.66 1.02 -0.89 0.23 0.00 0.00 176.35 176.88 2kfx s THR 13 N 2.28 4.50 -2.00 5.49 2.01 -1.26 -4.89 115.64 121.77 2kfx s THR 13 Ca 0.61 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.61 2kfx s THR 13 Cb -0.29 -3.73 0.13 0.00 0.01 0.00 0.00 72.50 68.63 2kfx s THR 13 CO 0.25 -0.92 0.70 -0.62 -0.69 0.00 0.00 174.62 173.33 2kfx n GLU 14 N -2.37 0.18 -0.06 4.92 1.02 -1.26 -2.70 120.64 120.37 2kfx n GLU 14 Ca 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2kfx n GLU 14 Cb 0.54 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.54 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 -3.30 114.58 117.84 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 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2kfx n GLN 16 N -4.72 0.06 0.09 2.33 -0.00 -1.10 -1.66 117.38 112.40 2kfx n GLN 16 Ca -0.03 0.39 -0.03 0.00 -0.00 0.00 0.00 57.00 57.33 2kfx n GLN 16 Cb 0.11 -1.64 -0.03 0.00 -0.00 0.00 0.00 30.24 28.68 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 0.00 0.00 2.61 1.57 -1.67 -3.10 116.57 115.99 2kfx h LYS 17 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kfx h LYS 17 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2kfx h LYS 17 CO 0.00 0.81 0.00 -0.91 -0.57 0.00 0.00 179.45 178.78 2kfx h ASN 18 N 0.00 0.00 0.37 0.86 -0.26 -1.39 -3.07 115.58 112.09 2kfx h ASN 18 Ca -0.01 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.51 2kfx h ASN 18 Cb 1.55 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.81 2kfx h ASN 18 CO 0.10 0.00 -0.93 -0.33 -1.06 0.00 0.00 177.43 175.22 2kfx h GLU 19 N 0.00 0.38 0.21 0.81 4.39 -1.57 -3.26 114.58 115.55 2kfx h GLU 19 Ca 0.00 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 2kfx h GLU 19 Cb 0.69 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2kfx h GLU 19 CO 0.00 1.08 -0.10 0.74 -1.16 0.00 0.00 179.01 179.57 2kfx h PHE 20 N 0.22 -0.27 0.00 4.33 0.04 -1.62 -3.18 116.94 116.46 2kfx h PHE 20 Ca -0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2kfx h PHE 20 Cb 1.56 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.80 2kfx h PHE 20 CO 0.06 -0.03 0.74 0.87 -0.60 0.00 0.00 178.31 179.34 2kfx h LYS 21 N -1.03 0.00 0.16 1.51 1.57 -1.68 1.91 116.57 119.01 2kfx h LYS 21 Ca -0.03 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 2kfx h LYS 21 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2kfx h LYS 21 CO 0.05 0.00 -1.33 0.00 -0.57 0.00 0.00 179.45 177.60 2kfx h ALA 22 N 0.39 0.06 -0.11 3.86 0.00 -1.59 -3.32 119.26 118.55 2kfx h ALA 22 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2kfx h ALA 22 Cb 1.48 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kfx h ALA 22 CO 0.00 0.93 0.02 0.00 0.00 0.00 0.00 179.25 180.21 2kfx h ALA 23 N 0.47 0.15 -0.78 0.00 0.00 0.30 -3.06 119.26 116.34 2kfx h ALA 23 Ca -0.17 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kfx h ALA 23 Cb 2.02 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.62 2kfx h ALA 23 CO 0.22 -0.22 -0.20 0.74 0.00 0.00 0.00 179.25 179.79 2kfx h PHE 24 N -0.03 -0.42 -1.02 0.00 -1.00 -1.63 0.81 116.94 113.65 2kfx h PHE 24 Ca 0.03 0.07 0.26 0.00 2.81 0.00 0.00 57.97 61.14 2kfx h PHE 24 Cb 0.26 0.31 -0.12 0.00 3.61 0.00 0.00 35.95 40.01 2kfx h PHE 24 CO 0.01 -0.34 0.62 -0.44 -1.61 0.00 0.00 178.31 176.55 2kfx h ASP 25 N -0.00 0.61 -0.24 2.17 5.19 -1.63 0.65 116.42 123.16 2kfx h ASP 25 Ca 0.38 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.79 2kfx h ASP 25 Cb 0.57 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2kfx h ASP 25 CO -0.81 0.09 -0.29 0.40 -3.12 0.00 0.00 179.24 175.51 2kfx h ILE 26 N 0.52 1.28 0.22 0.35 1.08 0.57 -2.68 117.51 118.85 2kfx h ILE 26 Ca 0.64 -1.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 2kfx h ILE 26 Cb 1.33 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2kfx h ILE 26 CO -0.44 0.47 -0.11 -0.26 -0.69 0.00 0.00 178.15 177.12 2kfx h PHE 27 N 0.64 -0.28 -1.27 1.37 0.04 0.82 -3.35 116.94 114.92 2kfx h PHE 27 Ca 0.08 -0.01 -0.75 0.00 2.80 0.00 0.00 57.97 60.09 2kfx h PHE 27 Cb 0.81 0.09 -0.14 0.00 2.20 0.00 0.00 35.95 38.92 2kfx h PHE 27 CO 0.04 -0.17 2.27 1.33 -0.60 0.00 0.00 178.31 181.17 2kfx n VAL 28 N -3.86 5.06 0.44 -0.55 0.24 0.13 -4.69 118.33 115.10 2kfx n VAL 28 Ca -0.04 -4.41 -0.01 0.00 -2.04 0.00 0.00 64.34 57.84 2kfx n VAL 28 Cb 0.12 -2.13 0.09 0.00 -1.47 0.00 0.00 33.84 30.45 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 2.17 2.92 0.00 1.34 -0.00 -1.01 -3.95 117.00 118.47 2kfx n LEU 29 Ca 0.56 -1.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.08 2kfx n LEU 29 Cb 0.27 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2kfx n LEU 29 CO 0.72 0.46 0.00 0.61 -0.00 0.00 0.00 177.39 179.17 2kfx n GLY 30 N 0.13 0.00 3.89 1.47 0.00 -1.26 -5.10 105.19 104.32 2kfx n GLY 30 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 3.17 0.00 4.61 0.00 -1.25 -5.04 121.76 123.24 2kfx s ALA 31 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2kfx s ALA 31 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2kfx s ALA 31 CO 0.00 -0.70 0.33 0.39 0.00 0.00 0.00 175.76 175.78 2kfx n GLU 32 N -2.65 0.00 0.00 0.00 1.02 -1.26 -4.81 120.64 112.94 2kfx n GLU 32 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2kfx n GLU 32 Cb 0.55 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 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 -0.35 0.00 -1.12 1.62 5.68 -1.26 -4.99 116.55 116.13 2kfx n ASP 33 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 2kfx n ASP 33 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 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 3.89 0.61 3.91 6.12 0.00 -1.26 -5.10 105.19 113.36 2kfx n GLY 34 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.16 5.24 -0.38 1.61 1.04 -1.26 -4.75 113.70 114.04 2kfx s SER 35 Ca 0.05 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.30 2kfx s SER 35 Cb 0.07 -1.60 0.14 0.00 0.10 0.00 0.00 66.02 64.72 2kfx s SER 35 CO -0.03 -1.38 0.22 -0.63 0.98 0.00 0.00 173.24 172.40 2kfx s ILE 36 N -3.25 0.52 0.34 -1.02 1.01 -1.26 -4.69 121.20 112.85 2kfx s ILE 36 Ca 0.58 -1.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.20 2kfx s ILE 36 Cb -0.11 -1.38 0.08 0.00 0.01 0.00 0.00 42.46 41.06 2kfx s ILE 36 CO 0.48 -0.96 0.45 -0.24 0.00 0.00 0.00 174.94 174.67 2kfx n SER 37 N 3.89 0.00 0.00 3.58 2.88 -1.26 -3.90 113.62 118.82 2kfx n SER 37 Ca 0.11 -1.15 0.09 0.00 -1.33 0.00 0.00 58.87 56.59 2kfx n SER 37 Cb 0.36 -0.35 0.42 0.00 -0.75 0.00 0.00 64.21 63.89 2kfx n SER 37 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2kfx n THR 38 N -2.64 0.64 -0.07 2.46 -2.24 -1.26 -2.59 114.28 108.58 2kfx n THR 38 Ca 0.06 0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2kfx n THR 38 Cb 0.20 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.00 0.00 -0.78 1.57 -1.97 -3.30 116.57 112.10 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kfx h LYS 39 CO 0.00 0.85 0.00 0.39 -0.57 0.00 0.00 179.45 180.12 2kfx n GLU 40 N -4.63 0.86 -0.02 3.15 -0.58 -1.20 -3.84 120.64 114.38 2kfx n GLU 40 Ca -0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.64 2kfx n GLU 40 Cb 0.42 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.00 -0.03 -0.83 -4.62 7.12 -1.57 -3.35 115.31 112.03 2kfx h LEU 41 Ca 0.00 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.18 2kfx h LEU 41 Cb 0.04 0.01 -0.11 0.00 -0.53 0.00 0.00 40.66 40.07 2kfx h LEU 41 CO 0.00 0.36 0.35 1.23 -0.13 0.00 0.00 178.44 180.25 2kfx h GLY 42 N -0.79 1.32 -0.72 3.75 0.00 -1.66 -1.73 103.07 103.24 2kfx h GLY 42 Ca -0.00 -0.17 0.14 0.00 0.00 0.00 0.00 47.33 47.30 2kfx h GLY 42 CO 0.01 -0.15 -0.32 0.50 0.00 0.00 0.00 176.54 176.57 2kfx h LYS 43 N 0.45 -0.05 0.24 4.80 1.57 -1.71 0.11 116.57 121.98 2kfx h LYS 43 Ca 0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 2kfx h LYS 43 Cb 0.79 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2kfx h LYS 43 CO -0.45 -0.04 -0.12 0.28 -0.57 0.00 0.00 179.45 178.56 2kfx h VAL 44 N -0.06 0.82 0.00 0.50 2.07 -1.45 -2.52 116.25 115.61 2kfx h VAL 44 Ca 0.33 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2kfx h VAL 44 Cb 0.59 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kfx h VAL 44 CO -0.85 0.13 0.41 0.24 0.02 0.00 0.00 177.57 177.51 2kfx h MET 45 N -0.64 0.00 0.60 1.57 2.86 -0.84 -1.50 114.93 116.98 2kfx h MET 45 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2kfx h MET 45 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2kfx h MET 45 CO 0.05 0.00 -0.43 -0.09 1.06 0.00 0.00 176.91 177.50 2kfx h ARG 46 N 0.00 -0.96 -0.56 1.72 2.43 -0.37 -1.44 114.38 115.20 2kfx h ARG 46 Ca 0.00 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.40 2kfx h ARG 46 Cb 0.83 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2kfx h ARG 46 CO 0.00 -0.64 0.41 0.52 -1.51 0.00 0.00 179.97 178.75 2kfx h MET 47 N -0.99 0.00 -0.28 0.20 2.86 -1.42 0.53 114.93 115.83 2kfx h MET 47 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kfx h MET 47 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2kfx h MET 47 CO 0.03 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.28 2kfx n LEU 48 N -4.33 0.28 -3.32 1.22 4.32 -0.66 -4.82 117.00 109.70 2kfx n LEU 48 Ca 0.11 -0.14 -0.20 0.00 -0.02 0.00 0.00 56.01 55.76 2kfx n LEU 48 Cb 0.65 -0.14 0.08 0.00 -1.62 0.00 0.00 43.42 42.39 2kfx n LEU 48 CO 0.37 0.07 0.19 0.61 -1.22 0.00 0.00 177.39 177.40 2kfx n GLY 49 N 0.26 -0.39 3.10 -0.72 0.00 0.18 -5.01 105.19 102.61 2kfx n GLY 49 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.90 0.61 -0.37 1.61 -1.52 -0.63 -5.03 119.66 108.42 2kfx s GLN 50 Ca 0.37 -1.10 0.03 0.00 -1.95 0.00 0.00 55.36 52.71 2kfx s GLN 50 Cb -0.16 0.22 0.31 0.00 -0.22 0.00 0.00 33.01 33.15 2kfx s GLN 50 CO 0.67 -0.13 1.26 -1.71 -0.25 0.00 0.00 175.29 175.14 2kfx n ASN 51 N 0.27 -1.61 -4.61 5.90 2.85 -1.26 -3.25 115.26 113.55 2kfx n ASN 51 Ca -0.15 -2.33 -0.29 0.00 -0.11 0.00 0.00 54.58 51.70 2kfx n ASN 51 Cb 0.60 1.26 0.14 0.00 1.24 0.00 0.00 39.78 43.02 2kfx n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kfx s PRO 52 N 0.17 1.19 0.62 1.20 0.04 -1.26 -5.04 135.00 131.92 2kfx s PRO 52 Ca 0.23 0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 2kfx s PRO 52 Cb 0.27 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 2kfx s PRO 52 CO -0.15 -2.11 1.11 -0.08 0.04 0.00 0.00 177.00 175.81 2kfx s THR 53 N -3.53 3.29 -1.35 1.26 -1.32 -1.26 -4.90 115.64 107.82 2kfx s THR 53 Ca 0.66 0.66 0.14 0.00 -1.21 0.00 0.00 61.69 61.93 2kfx s THR 53 Cb -0.10 -3.19 0.22 0.00 -1.51 0.00 0.00 72.50 67.92 2kfx s THR 53 CO 0.52 -0.31 1.38 -0.81 -2.21 0.00 0.00 174.62 173.18 2kfx n PRO 54 N -2.03 0.16 0.04 7.08 -0.04 -1.26 -2.31 135.00 136.63 2kfx n PRO 54 Ca 0.11 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2kfx n PRO 54 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.10 0.19 0.54 4.81 -1.97 -3.05 114.58 115.20 2kfx h GLU 55 Ca 0.00 -0.17 -0.31 0.00 -0.13 0.00 0.00 59.36 58.75 2kfx h GLU 55 Cb 0.15 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.62 2kfx h GLU 55 CO 0.00 0.93 -1.36 0.93 -0.73 0.00 0.00 179.01 178.78 2kfx h GLU 56 N 0.03 0.42 -0.44 1.92 5.08 -1.84 -3.32 114.58 116.43 2kfx h GLU 56 Ca -0.16 -0.72 -0.06 0.00 -1.00 0.00 0.00 59.36 57.42 2kfx h GLU 56 Cb 1.92 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 2kfx h GLU 56 CO 0.13 1.34 0.04 -0.07 -1.00 0.00 0.00 179.01 179.45 2kfx h LEU 57 N 0.12 0.72 -1.54 1.33 3.38 -1.67 -2.42 115.31 115.22 2kfx h LEU 57 Ca -0.20 -0.28 0.20 0.00 0.09 0.00 0.00 57.88 57.69 2kfx h LEU 57 Cb 2.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2kfx h LEU 57 CO 0.24 0.82 0.80 -0.61 0.09 0.00 0.00 178.44 179.79 2kfx h GLN 58 N 0.59 0.00 -0.96 1.13 5.75 -1.63 0.66 115.11 120.65 2kfx h GLN 58 Ca 0.13 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2kfx h GLN 58 Cb 0.43 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 2kfx h GLN 58 CO 0.01 0.00 0.63 0.93 -2.65 0.00 0.00 178.83 177.76 2kfx h GLU 59 N 0.00 1.20 -0.34 1.69 5.08 -1.57 0.47 114.58 121.11 2kfx h GLU 59 Ca 0.33 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2kfx h GLU 59 Cb 1.93 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 2kfx h GLU 59 CO -0.00 0.79 -0.33 0.52 -1.00 0.00 0.00 179.01 178.99 2kfx h MET 60 N 1.23 0.75 -0.03 2.33 2.86 0.18 -2.95 114.93 119.29 2kfx h MET 60 Ca 0.38 -0.36 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 2kfx h MET 60 Cb -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kfx h MET 60 CO -0.11 0.98 -0.70 0.82 1.06 0.00 0.00 176.91 178.95 2kfx h ILE 61 N 0.63 1.44 0.00 -1.22 5.03 -1.29 -3.24 117.51 118.86 2kfx h ILE 61 Ca 0.07 -2.25 -0.09 0.00 -0.12 0.00 0.00 64.86 62.47 2kfx h ILE 61 Cb 0.87 2.20 -0.03 0.00 -3.03 0.00 0.00 36.82 36.82 2kfx h ILE 61 CO 0.08 0.66 -0.16 -0.67 -0.68 0.00 0.00 178.15 177.37 2kfx n ASP 62 N -3.78 4.91 0.02 1.72 2.03 0.16 -2.81 116.55 118.79 2kfx n ASP 62 Ca -0.02 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.93 2kfx n ASP 62 Cb 0.69 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2kfx n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kfx n GLU 63 N 2.03 0.00 0.11 -0.67 1.02 -1.22 -4.93 120.64 116.97 2kfx n GLU 63 Ca 0.20 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 2kfx n GLU 63 Cb 0.65 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.94 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 1.33 -0.08 2.62 -1.51 -1.67 -3.40 116.25 113.54 2kfx h VAL 64 Ca 0.00 -2.61 -0.03 0.00 -1.23 0.00 0.00 66.70 62.83 2kfx h VAL 64 Cb 0.00 2.79 0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2kfx h VAL 64 CO 0.00 0.78 0.08 0.47 -1.23 0.00 0.00 177.57 177.67 2kfx n ASP 65 N -3.73 1.32 -1.95 4.19 9.92 -1.12 -4.72 116.55 120.46 2kfx n ASP 65 Ca -0.13 -2.49 -0.05 0.00 -0.53 0.00 0.00 54.79 51.59 2kfx n ASP 65 Cb 1.01 -1.68 -0.07 0.00 -0.64 0.00 0.00 41.12 39.74 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 8.13 1.08 0.00 -1.24 -0.58 -1.26 -2.13 120.64 124.63 2kfx n GLU 66 Ca 0.41 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2kfx n GLU 66 Cb 0.47 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 2.24 0.00 0.00 1.62 5.68 -1.26 -5.03 116.55 119.80 2kfx n ASP 67 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2kfx n ASP 67 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2kfx n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kfx n GLY 68 N -0.09 0.58 0.07 6.12 0.00 -0.91 -4.96 105.19 106.00 2kfx n GLY 68 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.04 -1.50 1.61 4.64 -1.96 -3.48 113.55 112.90 2kfx h SER 69 Ca 0.00 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2kfx h SER 69 Cb 0.71 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2kfx h SER 69 CO 0.00 1.04 -0.05 0.61 -0.87 0.00 0.00 176.83 177.55 2kfx n GLY 70 N 1.41 0.78 3.34 -0.77 0.00 -1.26 -5.06 105.19 103.62 2kfx n GLY 70 Ca -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.03 -0.26 -1.04 2.61 -4.23 -1.26 -4.55 115.64 103.88 2kfx s THR 71 Ca 0.04 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.46 2kfx s THR 71 Cb -0.02 -0.70 0.11 0.00 1.34 0.00 0.00 72.50 73.23 2kfx s THR 71 CO 0.06 0.04 1.33 -0.69 -0.54 0.00 0.00 174.62 174.82 2kfx s VAL 72 N 1.87 4.47 0.00 2.29 1.01 -1.25 -4.84 120.40 123.95 2kfx s VAL 72 Ca -0.07 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2kfx s VAL 72 Cb -0.09 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.36 2kfx s VAL 72 CO -0.14 -1.71 0.00 -0.90 0.00 0.00 0.00 175.10 172.35 2kfx n ASP 73 N 7.30 0.00 -0.02 3.32 5.68 -1.26 -4.39 116.55 127.18 2kfx n ASP 73 Ca 0.31 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.69 2kfx n ASP 73 Cb 0.48 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.39 0.00 0.00 2.11 7.35 -1.26 -4.26 117.46 121.01 2kfx n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2kfx n PHE 74 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 -1.39 0.00 0.25 -2.13 9.92 -1.26 -4.22 116.55 117.73 2kfx n ASP 75 Ca 0.04 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.33 2kfx n ASP 75 Cb 0.30 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 40.97 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 -0.92 -1.24 4.11 -1.92 0.18 114.58 114.79 2kfx h GLU 76 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 59.36 59.69 2kfx h GLU 76 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2kfx h GLU 76 CO 0.00 0.00 0.66 0.35 0.07 0.00 0.00 179.01 180.09 2kfx h PHE 77 N 0.00 0.06 0.03 2.06 3.57 -1.74 -1.19 116.94 119.73 2kfx h PHE 77 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kfx h PHE 77 Cb 1.40 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2kfx h PHE 77 CO 0.00 0.01 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.01 2kfx h LEU 78 N 0.04 -0.04 -0.22 0.59 3.38 -0.87 -3.20 115.31 115.00 2kfx h LEU 78 Ca 0.44 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kfx h LEU 78 Cb 1.71 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2kfx h LEU 78 CO -0.03 0.72 0.25 0.52 0.09 0.00 0.00 178.44 180.00 2kfx n VAL 79 N -4.73 0.96 0.10 1.22 0.31 -0.52 -0.83 118.33 114.84 2kfx n VAL 79 Ca -0.07 0.57 -0.04 0.00 -0.01 0.00 0.00 64.34 64.79 2kfx n VAL 79 Cb 0.29 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.26 0.22 5.55 -1.53 -1.36 -3.26 114.93 114.29 2kfx h MET 80 Ca 0.00 0.02 -0.32 0.00 -3.44 0.00 0.00 59.70 55.96 2kfx h MET 80 Cb 0.51 0.06 0.03 0.00 -0.55 0.00 0.00 31.60 31.65 2kfx h MET 80 CO 0.00 -0.17 -1.46 0.52 0.14 0.00 0.00 176.91 175.93 2kfx h MET 81 N -0.45 0.47 -1.41 0.39 2.86 -1.53 -3.27 114.93 112.01 2kfx h MET 81 Ca -0.03 -0.81 0.42 0.00 -2.06 0.00 0.00 59.70 57.22 2kfx h MET 81 Cb 0.21 0.30 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 2kfx h MET 81 CO 0.05 1.39 0.97 0.28 1.06 0.00 0.00 176.91 180.65 2kfx h VAL 82 N 0.06 0.23 0.00 -2.22 2.07 -1.17 0.95 116.25 116.16 2kfx h VAL 82 Ca -0.27 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2kfx h VAL 82 Cb 2.08 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2kfx h VAL 82 CO 0.23 0.02 -0.03 0.03 0.02 0.00 0.00 177.57 177.83 2kfx h ARG 83 N 0.09 0.02 0.00 1.57 3.08 -1.64 -1.87 114.38 115.62 2kfx h ARG 83 Ca 0.75 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.75 2kfx h ARG 83 Cb 2.63 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.69 2kfx h ARG 83 CO -0.19 0.94 -0.12 0.77 -1.07 0.00 0.00 179.97 180.29 2kfx h SER 84 N -0.89 0.00 0.04 7.04 0.02 -0.57 -1.97 113.55 117.22 2kfx h SER 84 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kfx h SER 84 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2kfx h SER 84 CO 0.01 0.12 -0.02 0.24 -1.14 0.00 0.00 176.83 176.04 2kfx h MET 85 N 0.00 -0.06 -0.50 3.45 2.86 0.67 -2.66 114.93 118.69 2kfx h MET 85 Ca -0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 2kfx h MET 85 Cb 0.29 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2kfx h MET 85 CO 0.02 0.21 0.48 -0.22 1.06 0.00 0.00 176.91 178.45 2kfx h LYS 86 N -1.00 0.00 -0.95 1.72 3.64 -1.27 -3.37 116.57 115.34 2kfx h LYS 86 Ca -0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2kfx h LYS 86 Cb 0.29 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.90 2kfx h LYS 86 CO 0.01 0.00 -0.29 -0.51 -2.27 0.00 0.00 179.45 176.39 2kfx s ASP 87 N -5.43 -1.42 0.45 4.20 1.01 -0.75 -5.09 116.67 109.64 2kfx s ASP 87 Ca -0.04 0.58 -0.21 0.00 0.71 0.00 0.00 52.55 53.58 2kfx s ASP 87 Cb 0.17 2.07 -0.10 0.00 1.01 0.00 0.00 42.92 46.07 2kfx s ASP 87 CO 0.60 -0.26 1.00 1.51 0.21 0.00 0.00 175.17 178.22 2kfx s ASP 88 N 2.85 6.68 0.00 0.27 -4.77 -1.00 -4.26 116.67 116.44 2kfx s ASP 88 Ca 0.16 1.83 0.00 0.00 -3.30 0.00 0.00 52.55 51.24 2kfx s ASP 88 Cb -0.13 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 2kfx s ASP 88 CO -0.23 -0.54 0.00 -1.54 0.70 0.00 0.00 175.17 173.56