#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdf s GLN 2 N 0.00 3.23 0.20 2.12 0.74 -1.26 1.00 119.66 125.68 2kdf s GLN 2 Ca 0.00 -0.55 0.05 0.00 0.05 0.00 0.00 55.36 54.91 2kdf s GLN 2 Cb 0.00 -4.10 -0.04 0.00 1.10 0.00 0.00 33.01 29.97 2kdf s GLN 2 CO 0.00 -1.47 0.20 0.96 -0.55 0.00 0.00 175.29 174.43 2kdf s ILE 3 N 3.58 4.68 -0.14 -2.34 -4.36 -0.42 -0.51 121.20 121.69 2kdf s ILE 3 Ca 0.24 -1.11 -0.02 0.00 -0.26 0.00 0.00 60.65 59.51 2kdf s ILE 3 Cb -0.15 -3.45 -0.02 0.00 1.25 0.00 0.00 42.46 40.09 2kdf s ILE 3 CO 0.15 -0.20 -0.09 -0.36 0.24 0.00 0.00 174.94 174.68 2kdf s PHE 4 N -1.89 2.90 -0.35 1.37 0.08 -0.20 -0.94 117.98 118.95 2kdf s PHE 4 Ca 0.32 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 2kdf s PHE 4 Cb -0.09 -1.89 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 2kdf s PHE 4 CO 0.25 -0.15 0.11 0.08 -0.10 0.00 0.00 175.22 175.42 2kdf s VAL 5 N 0.37 3.49 0.44 -0.44 1.01 0.15 -0.85 120.40 124.56 2kdf s VAL 5 Ca -0.08 -1.45 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 2kdf s VAL 5 Cb -0.15 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2kdf s VAL 5 CO 0.05 -0.31 0.87 -0.75 0.00 0.00 0.00 175.10 174.95 2kdf s LYS 6 N 1.30 3.92 0.00 2.72 2.20 -0.07 -0.78 119.74 129.03 2kdf s LYS 6 Ca 0.00 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2kdf s LYS 6 Cb -0.21 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 2kdf s LYS 6 CO -0.00 -0.10 0.00 0.25 -0.36 0.00 0.00 175.35 175.14 2kdf n THR 7 N -1.23 0.00 -1.25 3.43 -2.24 -0.11 -1.06 114.28 111.83 2kdf n THR 7 Ca 0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2kdf n THR 7 Cb 0.54 -0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.92 2kdf n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kdf n LEU 8 N 0.00 6.75 -1.26 3.22 4.77 -1.26 -4.25 117.00 124.98 2kdf n LEU 8 Ca 0.00 -3.68 0.03 0.00 -0.03 0.00 0.00 56.01 52.32 2kdf n LEU 8 Cb 0.00 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2kdf n LEU 8 CO 0.00 1.10 0.11 0.35 -1.33 0.00 0.00 177.39 177.62 2kdf n THR 9 N -1.13 0.00 -3.13 -5.08 -2.24 -1.26 -4.98 114.28 96.47 2kdf n THR 9 Ca 0.59 -0.74 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2kdf n THR 9 Cb 1.56 0.87 0.05 0.00 -2.10 0.00 0.00 70.33 70.70 2kdf n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kdf n GLY 10 N 0.37 -0.36 2.99 3.38 0.00 -1.26 -5.00 105.19 105.31 2kdf n GLY 10 Ca 0.04 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2kdf n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kdf s LYS 11 N -5.78 1.65 -0.09 1.61 2.20 -1.26 -5.01 119.74 113.06 2kdf s LYS 11 Ca 0.36 -0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.65 2kdf s LYS 11 Cb -0.16 -1.47 -0.01 0.00 -1.51 0.00 0.00 37.83 34.69 2kdf s LYS 11 CO 0.45 -0.07 -0.23 0.99 -0.36 0.00 0.00 175.35 176.13 2kdf s THR 12 N 0.99 2.22 -0.02 3.43 2.01 -1.26 -0.93 115.64 122.08 2kdf s THR 12 Ca -0.08 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2kdf s THR 12 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2kdf s THR 12 CO -0.00 0.56 0.08 -0.63 -0.69 0.00 0.00 174.62 173.94 2kdf s ILE 13 N 0.15 4.76 -0.30 1.82 1.01 0.04 -4.85 121.20 123.83 2kdf s ILE 13 Ca -0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 2kdf s ILE 13 Cb -0.16 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.17 2kdf s ILE 13 CO 0.07 0.40 0.09 -0.89 0.00 0.00 0.00 174.94 174.61 2kdf s THR 14 N -1.15 4.06 -0.13 2.92 2.01 -1.26 0.30 115.64 122.38 2kdf s THR 14 Ca 0.21 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2kdf s THR 14 Cb -0.12 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2kdf s THR 14 CO 0.12 0.07 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.14 2kdf s LEU 15 N 1.51 2.09 -0.66 4.42 1.43 -0.11 -4.93 118.68 122.42 2kdf s LEU 15 Ca 0.03 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 2kdf s LEU 15 Cb -0.17 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.67 2kdf s LEU 15 CO 0.03 0.09 1.11 -0.70 0.23 0.00 0.00 176.35 177.11 2kdf s GLU 16 N 0.76 3.22 0.00 1.70 2.12 -1.26 -1.30 118.70 123.95 2kdf s GLU 16 Ca -0.09 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2kdf s GLU 16 Cb -0.16 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.08 2kdf s GLU 16 CO -0.01 -1.88 0.00 1.33 -0.54 0.00 0.00 175.26 174.16 2kdf n VAL 17 N 6.23 0.00 -4.32 3.70 0.24 0.28 -4.72 118.33 119.74 2kdf n VAL 17 Ca 0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 2kdf n VAL 17 Cb 0.48 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.74 2kdf n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kdf s GLU 18 N 0.05 1.34 0.53 7.34 2.02 -1.26 0.10 118.70 128.82 2kdf s GLU 18 Ca 0.00 -1.69 0.32 0.00 0.02 0.00 0.00 54.97 53.62 2kdf s GLU 18 Cb 0.00 -0.52 1.21 0.00 0.10 0.00 0.00 34.13 34.92 2kdf s GLU 18 CO 0.00 -0.14 1.93 -1.00 0.02 0.00 0.00 175.26 176.07 2kdf h PRO 19 N 2.46 0.00 -0.77 0.39 0.13 -1.96 -2.87 132.00 129.39 2kdf h PRO 19 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 2kdf h PRO 19 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2kdf h PRO 19 CO 0.64 0.01 0.22 -1.13 -0.23 0.00 0.00 178.00 177.51 2kdf n SER 20 N -3.11 4.65 -4.85 1.44 3.41 -1.26 -1.25 113.62 112.65 2kdf n SER 20 Ca 0.01 -3.05 -0.36 0.00 -0.26 0.00 0.00 58.87 55.21 2kdf n SER 20 Cb 0.34 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2kdf n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kdf s ASP 21 N -0.82 6.71 0.44 4.04 1.01 -1.08 -4.90 116.67 122.08 2kdf s ASP 21 Ca 0.49 0.87 -0.17 0.00 0.71 0.00 0.00 52.55 54.46 2kdf s ASP 21 Cb 0.39 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 42.02 2kdf s ASP 21 CO 0.12 0.22 0.91 0.42 0.21 0.00 0.00 175.17 177.05 2kdf s THR 22 N -1.30 4.54 0.36 -1.27 -4.23 -1.26 -1.23 115.64 111.25 2kdf s THR 22 Ca 0.30 1.19 0.04 0.00 -1.18 0.00 0.00 61.69 62.05 2kdf s THR 22 Cb -0.15 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.30 2kdf s THR 22 CO 0.16 -0.47 2.00 0.40 -0.54 0.00 0.00 174.62 176.18 2kdf h ILE 23 N 1.42 1.11 -0.50 2.99 1.08 -1.23 -0.45 117.51 121.94 2kdf h ILE 23 Ca -0.48 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 63.70 2kdf h ILE 23 Cb 1.18 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2kdf h ILE 23 CO 0.62 0.14 0.20 -0.08 -0.69 0.00 0.00 178.15 178.35 2kdf h GLU 24 N 0.78 0.71 -0.54 2.37 4.81 -1.81 -0.82 114.58 120.09 2kdf h GLU 24 Ca 0.24 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 2kdf h GLU 24 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2kdf h GLU 24 CO -0.06 0.59 -0.07 -0.97 -0.73 0.00 0.00 179.01 177.76 2kdf h ASN 25 N 0.71 0.99 -0.48 1.04 -0.73 -1.41 -2.11 115.58 113.59 2kdf h ASN 25 Ca 0.17 -0.34 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 2kdf h ASN 25 Cb 0.14 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 2kdf h ASN 25 CO -0.02 1.09 0.13 0.58 -0.37 0.00 0.00 177.43 178.84 2kdf h VAL 26 N 0.87 1.24 -0.92 2.57 2.07 -0.82 -2.00 116.25 119.26 2kdf h VAL 26 Ca 0.14 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kdf h VAL 26 Cb 0.63 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2kdf h VAL 26 CO 0.04 0.29 0.61 0.11 0.02 0.00 0.00 177.57 178.64 2kdf h LYS 27 N 0.65 1.12 -0.45 1.57 1.57 -0.99 -0.95 116.57 119.09 2kdf h LYS 27 Ca 0.15 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2kdf h LYS 27 Cb 0.31 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2kdf h LYS 27 CO 0.00 0.74 -0.05 0.00 -0.57 0.00 0.00 179.45 179.57 2kdf h ALA 28 N 1.46 1.07 -0.26 3.86 0.00 -1.00 -1.28 119.26 123.11 2kdf h ALA 28 Ca 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kdf h ALA 28 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kdf h ALA 28 CO -0.11 0.58 0.13 0.87 0.00 0.00 0.00 179.25 180.72 2kdf h LYS 29 N 0.71 0.37 -0.02 0.00 1.57 -0.47 -1.88 116.57 116.85 2kdf h LYS 29 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2kdf h LYS 29 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2kdf h LYS 29 CO 0.03 0.36 -0.30 0.82 -0.57 0.00 0.00 179.45 179.79 2kdf h ILE 30 N 0.30 1.22 0.00 1.86 2.04 -1.14 -2.17 117.51 119.62 2kdf h ILE 30 Ca 0.09 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 2kdf h ILE 30 Cb 0.10 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2kdf h ILE 30 CO -0.01 0.31 -0.37 -0.61 0.00 0.00 0.00 178.15 177.46 2kdf h GLN 31 N 0.03 0.00 0.00 2.37 4.15 -0.59 0.05 115.11 121.13 2kdf h GLN 31 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 2kdf h GLN 31 Cb 0.55 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2kdf h GLN 31 CO 0.04 0.37 -1.05 -0.44 -1.93 0.00 0.00 178.83 175.82 2kdf h ASP 32 N 0.00 0.00 0.00 -0.69 5.19 -0.77 -1.76 116.42 118.39 2kdf h ASP 32 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2kdf h ASP 32 Cb 0.67 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 2kdf h ASP 32 CO 0.05 0.71 -0.39 0.11 -3.12 0.00 0.00 179.24 176.60 2kdf h LYS 33 N 0.00 0.00 0.07 3.56 1.79 -1.16 -3.39 116.57 117.44 2kdf h LYS 33 Ca -0.09 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.14 2kdf h LYS 33 Cb 1.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 2kdf h LYS 33 CO 0.08 0.24 -1.12 0.93 -1.08 0.00 0.00 179.45 178.50 2kdf h GLU 34 N -1.00 0.16 0.00 3.15 4.39 -1.18 -3.48 114.58 116.62 2kdf h GLU 34 Ca -0.05 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2kdf h GLU 34 Cb 0.50 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2kdf h GLU 34 CO -0.03 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.35 2kdf n GLY 35 N 1.42 1.32 3.69 -3.84 0.00 -0.67 -5.04 105.19 102.07 2kdf n GLY 35 Ca -0.05 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2kdf n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kdf s ILE 36 N -2.00 4.16 0.49 -0.61 1.01 -1.21 -5.00 121.20 118.04 2kdf s ILE 36 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 2kdf s ILE 36 Cb 0.00 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2kdf s ILE 36 CO 0.00 0.36 1.26 -2.16 0.00 0.00 0.00 174.94 174.40 2kdf s PRO 37 N -1.61 3.52 0.23 2.79 0.04 -1.26 -4.03 135.00 134.68 2kdf s PRO 37 Ca 0.20 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.26 2kdf s PRO 37 Cb -0.12 -2.38 0.24 0.00 0.04 0.00 0.00 34.50 32.29 2kdf s PRO 37 CO 0.11 -0.81 1.57 -1.00 0.04 0.00 0.00 177.00 176.91 2kdf h PRO 38 N 1.86 0.38 -0.02 0.56 0.13 -1.96 -2.87 132.00 130.07 2kdf h PRO 38 Ca -0.50 -0.23 0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2kdf h PRO 38 Cb 1.27 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kdf h PRO 38 CO 0.59 0.81 0.03 0.22 -0.23 0.00 0.00 178.00 179.42 2kdf h ASP 39 N 0.30 0.00 -0.87 1.44 1.82 -1.97 -0.46 116.42 116.68 2kdf h ASP 39 Ca 0.01 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.27 2kdf h ASP 39 Cb 1.02 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.80 2kdf h ASP 39 CO 0.09 0.00 0.47 0.00 -1.61 0.00 0.00 179.24 178.19 2kdf n GLN 40 N -3.81 2.95 -5.11 0.28 6.02 -1.08 -4.80 117.38 111.82 2kdf n GLN 40 Ca -0.02 -3.06 -0.29 0.00 -0.01 0.00 0.00 57.00 53.62 2kdf n GLN 40 Cb 0.11 -2.20 -0.16 0.00 1.02 0.00 0.00 30.24 29.02 2kdf n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kdf s GLN 41 N -3.16 2.17 -0.21 -1.09 -0.21 -0.18 -2.23 119.66 114.76 2kdf s GLN 41 Ca 0.56 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 55.15 2kdf s GLN 41 Cb 0.46 -1.90 0.05 0.00 1.00 0.00 0.00 33.01 32.62 2kdf s GLN 41 CO 0.12 0.37 -0.07 1.03 -2.12 0.00 0.00 175.29 174.62 2kdf s ARG 42 N -0.19 1.71 -0.31 2.91 0.52 -0.25 -4.89 118.95 118.45 2kdf s ARG 42 Ca -0.01 -0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 54.18 2kdf s ARG 42 Cb -0.12 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 2kdf s ARG 42 CO 0.02 -0.50 0.58 -0.51 0.02 0.00 0.00 175.30 174.91 2kdf s LEU 43 N 1.45 4.17 -0.11 2.53 1.43 -1.26 -0.91 118.68 125.99 2kdf s LEU 43 Ca -0.03 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2kdf s LEU 43 Cb -0.17 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2kdf s LEU 43 CO -0.07 -0.45 -0.15 -0.63 0.23 0.00 0.00 176.35 175.28 2kdf s ILE 44 N 2.52 1.48 -0.05 -0.59 1.09 -0.08 -0.85 121.20 124.71 2kdf s ILE 44 Ca 0.23 -0.63 0.05 0.00 -1.10 0.00 0.00 60.65 59.20 2kdf s ILE 44 Cb -0.15 -1.35 -0.01 0.00 -1.06 0.00 0.00 42.46 39.89 2kdf s ILE 44 CO 0.12 0.44 -0.21 0.12 -0.10 0.00 0.00 174.94 175.31 2kdf s PHE 45 N 0.98 2.08 -1.16 3.97 5.36 -0.22 -0.90 117.98 128.08 2kdf s PHE 45 Ca -0.07 -0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 55.25 2kdf s PHE 45 Cb -0.15 -1.38 0.01 0.00 -0.34 0.00 0.00 43.02 41.16 2kdf s PHE 45 CO -0.01 -0.21 0.11 0.00 -1.46 0.00 0.00 175.22 173.65 2kdf n ALA 46 N 3.11 -0.83 -2.54 11.12 0.00 -1.26 -1.29 120.51 128.83 2kdf n ALA 46 Ca -0.18 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2kdf n ALA 46 Cb 0.52 -1.89 0.03 0.00 0.00 0.00 0.00 19.45 18.11 2kdf n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kdf n GLY 47 N -0.92 0.29 3.34 0.00 0.00 -1.26 -5.05 105.19 101.59 2kdf n GLY 47 Ca -0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 2kdf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kdf s LYS 48 N -4.69 0.41 0.20 1.61 1.02 -0.41 -5.14 119.74 112.75 2kdf s LYS 48 Ca 0.05 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 2kdf s LYS 48 Cb -0.02 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.63 2kdf s LYS 48 CO 0.22 -0.29 1.30 -1.14 -0.92 0.00 0.00 175.35 174.52 2kdf s GLN 49 N 2.70 4.40 0.20 1.68 0.74 -1.26 -1.06 119.66 127.06 2kdf s GLN 49 Ca -0.00 2.05 -0.11 0.00 0.05 0.00 0.00 55.36 57.34 2kdf s GLN 49 Cb -0.12 -3.19 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 2kdf s GLN 49 CO -0.15 -0.23 0.54 -0.51 -0.55 0.00 0.00 175.29 174.39 2kdf s LEU 50 N -0.21 4.22 0.26 3.68 1.43 -0.03 -4.94 118.68 123.10 2kdf s LEU 50 Ca 0.56 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 2kdf s LEU 50 Cb -0.36 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 2kdf s LEU 50 CO 0.39 -0.01 0.61 -1.61 0.23 0.00 0.00 176.35 175.96 2kdf s GLU 51 N -2.53 3.85 0.47 1.70 2.02 -1.26 -4.80 118.70 118.15 2kdf s GLU 51 Ca 0.44 0.39 0.24 0.00 0.02 0.00 0.00 54.97 56.05 2kdf s GLU 51 Cb -0.12 -2.57 1.16 0.00 0.10 0.00 0.00 34.13 32.69 2kdf s GLU 51 CO 0.20 0.26 1.96 -0.44 0.02 0.00 0.00 175.26 177.25 2kdf h ASP 52 N 2.39 0.00 1.02 -0.19 5.19 -1.98 -2.67 116.42 120.18 2kdf h ASP 52 Ca -0.47 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.74 2kdf h ASP 52 Cb 1.17 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.65 2kdf h ASP 52 CO 0.68 0.20 -1.01 1.23 -3.12 0.00 0.00 179.24 177.21 2kdf h GLY 53 N 1.24 0.00 -1.06 2.75 0.00 -1.97 -3.21 103.07 100.82 2kdf h GLY 53 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kdf h GLY 53 CO 0.03 0.00 0.35 0.50 0.00 0.00 0.00 176.54 177.42 2kdf s ARG 54 N -2.76 2.26 0.00 4.80 1.81 -1.01 -4.82 118.95 119.23 2kdf s ARG 54 Ca 0.01 0.62 0.00 0.00 -1.72 0.00 0.00 55.73 54.63 2kdf s ARG 54 Cb 0.09 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 2kdf s ARG 54 CO 0.80 -1.49 0.00 0.25 -0.68 0.00 0.00 175.30 174.18 2kdf n THR 55 N -3.34 0.00 0.10 0.02 -2.24 -1.26 -1.14 114.28 106.42 2kdf n THR 55 Ca 0.07 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 2kdf n THR 55 Cb 0.56 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2kdf n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kdf h LEU 56 N 0.00 0.87 -1.35 3.22 3.38 -1.20 -3.27 115.31 116.95 2kdf h LEU 56 Ca 0.00 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 57.05 2kdf h LEU 56 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2kdf h LEU 56 CO 0.00 1.63 -0.32 -1.28 0.09 0.00 0.00 178.44 178.56 2kdf h SER 57 N 0.22 0.00 -0.04 -0.43 0.87 -1.41 -2.37 113.55 110.39 2kdf h SER 57 Ca -0.21 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2kdf h SER 57 Cb 1.97 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2kdf h SER 57 CO 0.25 0.32 0.04 0.44 -0.53 0.00 0.00 176.83 177.35 2kdf h ASP 58 N 0.00 0.00 -0.58 6.23 5.19 -1.81 -0.99 116.42 124.46 2kdf h ASP 58 Ca -0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 2kdf h ASP 58 Cb 0.58 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.94 2kdf h ASP 58 CO 0.04 0.00 0.19 -1.22 -3.12 0.00 0.00 179.24 175.13 2kdf n TYR 59 N -3.86 1.84 -3.92 4.55 4.01 -0.94 -4.93 117.16 113.91 2kdf n TYR 59 Ca -0.02 -1.49 -0.29 0.00 -0.16 0.00 0.00 57.90 55.94 2kdf n TYR 59 Cb 0.13 -0.62 0.02 0.00 -0.31 0.00 0.00 39.34 38.55 2kdf n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kdf n ASN 60 N -0.86 -3.53 -4.76 7.72 5.03 -0.38 -4.94 115.26 113.54 2kdf n ASN 60 Ca 0.40 -0.84 -0.38 0.00 0.87 0.00 0.00 54.58 54.63 2kdf n ASN 60 Cb 1.25 -3.69 -0.06 0.00 -1.02 0.00 0.00 39.78 36.26 2kdf n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2kdf s ILE 61 N -3.43 5.15 0.00 2.41 1.01 -0.94 -5.03 121.20 120.38 2kdf s ILE 61 Ca 0.49 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2kdf s ILE 61 Cb -0.25 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2kdf s ILE 61 CO 0.85 0.42 0.00 0.00 0.00 0.00 0.00 174.94 176.21 2kdf n GLN 62 N 3.04 2.13 -1.43 2.79 3.00 -1.26 -4.55 117.38 121.10 2kdf n GLN 62 Ca -0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.58 2kdf n GLN 62 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.83 2kdf n GLN 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2kdf s LYS 63 N -1.63 2.62 -1.31 -1.09 -2.85 -1.26 -3.38 119.74 110.84 2kdf s LYS 63 Ca 0.00 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 2kdf s LYS 63 Cb 0.00 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 2kdf s LYS 63 CO 0.00 -1.35 0.00 0.39 0.10 0.00 0.00 175.35 174.49 2kdf n GLU 64 N -3.31 -1.82 -2.84 1.78 1.02 0.33 -4.92 120.64 110.88 2kdf n GLU 64 Ca 0.08 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.56 2kdf n GLU 64 Cb 0.53 -5.22 -0.05 0.00 -0.02 0.00 0.00 31.44 26.68 2kdf n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kdf s SER 65 N -2.09 7.41 -0.47 1.62 0.01 -1.22 -4.67 113.70 114.29 2kdf s SER 65 Ca 0.00 1.68 -0.18 0.00 1.31 0.00 0.00 55.95 58.76 2kdf s SER 65 Cb 0.00 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.73 2kdf s SER 65 CO 0.00 0.02 0.55 -0.89 0.41 0.00 0.00 173.24 173.33 2kdf s THR 66 N -0.27 4.96 0.45 1.44 2.01 -1.25 -1.03 115.64 121.94 2kdf s THR 66 Ca 0.42 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2kdf s THR 66 Cb -0.23 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2kdf s THR 66 CO 0.27 -0.66 0.67 -0.76 -0.69 0.00 0.00 174.62 173.45 2kdf s LEU 67 N 2.42 3.67 -0.34 4.42 1.43 -0.03 -4.85 118.68 125.39 2kdf s LEU 67 Ca 0.14 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2kdf s LEU 67 Cb -0.19 -3.20 0.06 0.00 0.03 0.00 0.00 46.19 42.90 2kdf s LEU 67 CO 0.12 -0.67 0.08 -1.00 0.23 0.00 0.00 176.35 175.11 2kdf s HIS 68 N -2.55 3.35 -0.20 0.29 3.76 -0.08 -0.89 115.29 118.97 2kdf s HIS 68 Ca 0.48 -1.89 -0.14 0.00 -0.15 0.00 0.00 55.06 53.35 2kdf s HIS 68 Cb -0.10 -2.45 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 2kdf s HIS 68 CO 0.38 -0.83 0.33 -1.17 -0.85 0.00 0.00 174.74 172.60 2kdf s LEU 69 N 1.27 4.17 0.25 0.89 2.96 -0.22 -0.90 118.68 127.09 2kdf s LEU 69 Ca -0.01 0.45 0.10 0.00 -0.22 0.00 0.00 54.13 54.45 2kdf s LEU 69 Cb -0.21 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2kdf s LEU 69 CO -0.01 -0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 2kdf s VAL 70 N 1.03 3.12 -0.14 1.68 1.01 -0.09 -4.13 120.40 122.88 2kdf s VAL 70 Ca 0.16 -1.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.03 2kdf s VAL 70 Cb -0.14 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2kdf s VAL 70 CO 0.06 -0.32 0.27 -0.76 0.00 0.00 0.00 175.10 174.36 2kdf s LEU 71 N -3.42 4.28 0.41 3.92 1.43 -1.26 -1.09 118.68 122.94 2kdf s LEU 71 Ca 0.29 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2kdf s LEU 71 Cb -0.07 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2kdf s LEU 71 CO 0.17 0.16 0.39 -0.60 0.23 0.00 0.00 176.35 176.70 2kdf s ARG 72 N 0.13 2.59 -0.03 1.70 3.52 -0.94 -4.96 118.95 120.97 2kdf s ARG 72 Ca 0.16 -1.47 0.02 0.00 -0.13 0.00 0.00 55.73 54.30 2kdf s ARG 72 Cb -0.13 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2kdf s ARG 72 CO 0.04 -0.16 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.80 2kdf s LEU 73 N -4.14 1.65 -0.13 -0.88 1.43 -1.26 -4.78 118.68 110.57 2kdf s LEU 73 Ca 0.48 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2kdf s LEU 73 Cb -0.04 -0.41 0.05 0.00 0.03 0.00 0.00 46.19 45.82 2kdf s LEU 73 CO 0.28 0.01 0.04 -0.60 0.23 0.00 0.00 176.35 176.31 2kdf s ARG 74 N 0.41 0.41 0.64 1.70 3.52 -1.26 -5.13 118.95 119.24 2kdf s ARG 74 Ca -0.05 -0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.41 2kdf s ARG 74 Cb -0.09 -1.47 0.14 0.00 -1.56 0.00 0.00 34.95 31.97 2kdf s ARG 74 CO 0.00 -0.50 0.88 0.41 -0.81 0.00 0.00 175.30 175.28 2kdf n GLY 75 N 5.17 -0.50 0.00 8.12 0.00 -1.26 -5.19 105.19 111.53 2kdf n GLY 75 Ca -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93