#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 4.03 0.14 3.17 -0.21 -1.26 0.40 119.66 125.93 2kdf s GLN 2 Ca 0.00 0.43 0.03 0.00 0.02 0.00 0.00 55.36 55.85 2kdf s GLN 2 Cb 0.00 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 2kdf s GLN 2 CO 0.00 -0.46 0.21 0.96 -2.12 0.00 0.00 175.29 173.88 2kdf s ILE 3 N 2.52 4.99 -0.16 1.08 -4.36 -0.40 -0.52 121.20 124.34 2kdf s ILE 3 Ca 0.25 -0.79 -0.07 0.00 -0.26 0.00 0.00 60.65 59.79 2kdf s ILE 3 Cb -0.15 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 2kdf s ILE 3 CO 0.10 -0.05 0.05 -0.36 0.24 0.00 0.00 174.94 174.92 2kdf s PHE 4 N -1.69 3.25 -0.28 1.37 0.08 -0.18 -1.02 117.98 119.51 2kdf s PHE 4 Ca 0.33 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.48 2kdf s PHE 4 Cb -0.11 -2.03 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2kdf s PHE 4 CO 0.26 0.22 -0.04 0.08 -0.10 0.00 0.00 175.22 175.64 2kdf s VAL 5 N 0.12 2.65 0.07 -0.44 1.01 0.18 -0.84 120.40 123.14 2kdf s VAL 5 Ca 0.05 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.38 2kdf s VAL 5 Cb -0.12 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2kdf s VAL 5 CO 0.01 -0.08 0.48 -0.54 0.00 0.00 0.00 175.10 174.97 2kdf s LYS 6 N 1.19 3.98 0.00 2.72 1.02 -0.07 -0.77 119.74 127.81 2kdf s LYS 6 Ca -0.07 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.40 2kdf s LYS 6 Cb -0.20 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2kdf s LYS 6 CO -0.03 0.61 0.00 0.25 -0.92 0.00 0.00 175.35 175.26 2kdf n THR 7 N 1.41 0.00 -1.06 2.17 -2.24 -0.09 -1.08 114.28 113.40 2kdf n THR 7 Ca -0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 2kdf n THR 7 Cb 0.52 -0.69 0.14 0.00 -2.10 0.00 0.00 70.33 68.20 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 6.59 -1.18 3.22 4.77 -1.26 -4.20 117.00 124.95 2kdf n LEU 8 Ca 0.00 -3.54 0.03 0.00 -0.03 0.00 0.00 56.01 52.48 2kdf n LEU 8 Cb 0.00 -0.84 0.03 0.00 -2.33 0.00 0.00 43.42 40.28 2kdf n LEU 8 CO 0.00 1.08 0.14 0.35 -1.33 0.00 0.00 177.39 177.63 2kdf n THR 9 N -0.93 0.23 -3.15 -5.08 -2.24 -1.26 -4.98 114.28 96.88 2kdf n THR 9 Ca 0.55 -1.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 2kdf n THR 9 Cb 1.38 0.76 0.05 0.00 -2.10 0.00 0.00 70.33 70.42 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 0.21 -0.39 3.18 3.38 0.00 -1.26 -5.00 105.19 105.31 2kdf n GLY 10 Ca 0.06 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.81 1.29 0.02 1.61 2.20 -1.26 -5.01 119.74 112.78 2kdf s LYS 11 Ca 0.37 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2kdf s LYS 11 Cb -0.16 -1.30 -0.02 0.00 -1.51 0.00 0.00 37.83 34.84 2kdf s LYS 11 CO 0.46 0.34 -0.14 0.99 -0.36 0.00 0.00 175.35 176.64 2kdf s THR 12 N -0.59 1.14 0.01 3.43 2.01 -1.26 -0.91 115.64 119.47 2kdf s THR 12 Ca 0.06 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.31 2kdf s THR 12 Cb -0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2kdf s THR 12 CO 0.00 0.16 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.25 2kdf s ILE 13 N -0.60 1.76 -0.15 1.82 1.01 0.05 -4.88 121.20 120.22 2kdf s ILE 13 Ca 0.04 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 2kdf s ILE 13 Cb -0.07 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2kdf s ILE 13 CO 0.00 0.36 0.01 -0.89 0.00 0.00 0.00 174.94 174.42 2kdf s THR 14 N -0.66 4.31 -0.07 2.92 2.01 -1.26 0.51 115.64 123.40 2kdf s THR 14 Ca 0.08 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 2kdf s THR 14 Cb -0.09 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2kdf s THR 14 CO 0.01 0.51 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.65 2kdf s LEU 15 N 0.09 0.96 -0.58 4.42 1.43 -0.19 -4.91 118.68 119.90 2kdf s LEU 15 Ca 0.02 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 2kdf s LEU 15 Cb -0.13 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 2kdf s LEU 15 CO 0.02 -0.13 1.68 -0.70 0.23 0.00 0.00 176.35 177.45 2kdf s GLU 16 N 1.55 2.94 0.00 1.70 2.12 -1.26 -1.28 118.70 124.47 2kdf s GLU 16 Ca -0.01 0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2kdf s GLU 16 Cb -0.13 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2kdf s GLU 16 CO -0.04 -2.37 0.00 1.33 -0.54 0.00 0.00 175.26 173.64 2kdf n VAL 17 N 7.05 0.00 -4.17 3.70 0.24 0.16 -4.84 118.33 120.47 2kdf n VAL 17 Ca 0.17 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.36 2kdf n VAL 17 Cb 0.50 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.53 0.99 0.00 7.34 0.41 -1.26 -0.39 118.70 125.26 2kdf s GLU 18 Ca 0.00 -1.48 0.16 0.00 -0.41 0.00 0.00 54.97 53.25 2kdf s GLU 18 Cb 0.00 0.14 0.74 0.00 -1.78 0.00 0.00 34.13 33.23 2kdf s GLU 18 CO 0.00 -0.25 1.51 -0.35 -0.49 0.00 0.00 175.26 175.68 2kdf n PRO 19 N -0.14 0.08 -0.68 0.39 -0.04 -1.26 -2.55 135.00 130.80 2kdf n PRO 19 Ca -0.05 0.19 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2kdf n PRO 19 Cb 0.64 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.85 2kdf n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kdf n SER 20 N -1.42 3.70 -4.87 3.54 3.41 -1.26 -1.25 113.62 115.46 2kdf n SER 20 Ca 0.05 -3.28 -0.35 0.00 -0.26 0.00 0.00 58.87 55.03 2kdf n SER 20 Cb 0.17 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 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 -1.91 6.65 0.42 4.04 1.01 -1.06 -4.89 116.67 120.94 2kdf s ASP 21 Ca 0.46 0.81 -0.18 0.00 0.71 0.00 0.00 52.55 54.34 2kdf s ASP 21 Cb 0.38 -2.18 -0.10 0.00 1.01 0.00 0.00 42.92 42.03 2kdf s ASP 21 CO 0.07 0.17 0.90 0.42 0.21 0.00 0.00 175.17 176.94 2kdf s THR 22 N -1.40 4.51 0.36 -1.27 -4.23 -1.26 -1.21 115.64 111.14 2kdf s THR 22 Ca 0.33 1.26 0.04 0.00 -1.18 0.00 0.00 61.69 62.14 2kdf s THR 22 Cb -0.14 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.34 2kdf s THR 22 CO 0.18 -0.38 2.01 0.40 -0.54 0.00 0.00 174.62 176.29 2kdf h ILE 23 N 1.67 1.12 -0.31 2.99 1.08 -1.21 -0.28 117.51 122.56 2kdf h ILE 23 Ca -0.48 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2kdf h ILE 23 Cb 1.18 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2kdf h ILE 23 CO 0.62 0.14 0.08 -0.08 -0.69 0.00 0.00 178.15 178.23 2kdf h GLU 24 N 0.78 0.45 -0.29 2.37 4.81 -1.79 -0.67 114.58 120.23 2kdf h GLU 24 Ca 0.24 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 2kdf h GLU 24 Cb -0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2kdf h GLU 24 CO -0.06 0.41 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.29 2kdf h ASN 25 N 0.44 0.78 -0.25 1.04 2.35 -1.37 -2.11 115.58 116.47 2kdf h ASN 25 Ca 0.11 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 2kdf h ASN 25 Cb 0.16 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2kdf h ASN 25 CO -0.01 1.11 -0.04 0.58 -1.65 0.00 0.00 177.43 177.43 2kdf h VAL 26 N 0.59 1.27 -0.50 2.81 2.07 -0.78 -2.03 116.25 119.68 2kdf h VAL 26 Ca 0.04 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2kdf h VAL 26 Cb 0.98 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2kdf h VAL 26 CO 0.09 0.31 0.33 0.11 0.02 0.00 0.00 177.57 178.44 2kdf h LYS 27 N 0.21 0.61 -0.43 1.57 1.57 -1.09 -0.96 116.57 118.05 2kdf h LYS 27 Ca 0.07 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2kdf h LYS 27 Cb 0.48 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kdf h LYS 27 CO 0.02 0.40 -0.21 0.00 -0.57 0.00 0.00 179.45 179.09 2kdf h ALA 28 N 1.70 0.82 -0.41 3.86 0.00 -1.09 -1.32 119.26 122.82 2kdf h ALA 28 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kdf h ALA 28 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kdf h ALA 28 CO -0.05 0.65 0.20 0.87 0.00 0.00 0.00 179.25 180.92 2kdf h LYS 29 N 0.75 0.58 -0.02 0.00 1.57 -0.47 -1.80 116.57 117.18 2kdf h LYS 29 Ca 0.10 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2kdf h LYS 29 Cb 0.74 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2kdf h LYS 29 CO 0.06 0.50 -0.30 0.82 -0.57 0.00 0.00 179.45 179.96 2kdf h ILE 30 N 0.52 1.22 0.00 1.86 2.04 -1.20 -2.05 117.51 119.90 2kdf h ILE 30 Ca 0.14 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2kdf h ILE 30 Cb 0.10 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2kdf h ILE 30 CO -0.02 0.31 -0.36 -0.61 0.00 0.00 0.00 178.15 177.47 2kdf h GLN 31 N 0.03 0.00 0.00 2.37 4.15 -0.44 0.24 115.11 121.46 2kdf h GLN 31 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2kdf h GLN 31 Cb 0.54 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2kdf h GLN 31 CO 0.04 0.36 -1.04 -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 3.32 -0.70 -1.93 116.42 116.42 2kdf h ASP 32 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kdf h ASP 32 Cb 0.65 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 2kdf h ASP 32 CO 0.05 0.74 -0.33 0.11 -1.72 0.00 0.00 179.24 178.08 2kdf h LYS 33 N 0.00 0.00 0.05 3.56 1.79 -1.13 -3.40 116.57 117.44 2kdf h LYS 33 Ca -0.08 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.13 2kdf h LYS 33 Cb 1.64 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.30 2kdf h LYS 33 CO 0.08 0.04 -1.06 0.93 -1.08 0.00 0.00 179.45 178.36 2kdf h GLU 34 N -1.00 0.45 0.00 3.15 4.39 -1.15 -3.48 114.58 116.94 2kdf h GLU 34 Ca -0.01 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2kdf h GLU 34 Cb 0.35 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2kdf h GLU 34 CO -0.01 1.20 0.00 0.41 -1.16 0.00 0.00 179.01 179.45 2kdf n GLY 35 N 1.14 1.68 3.64 -3.84 0.00 -0.73 -5.04 105.19 102.04 2kdf n GLY 35 Ca -0.09 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 3.90 0.51 -0.61 1.01 -1.22 -5.00 121.20 117.79 2kdf s ILE 36 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 2kdf s ILE 36 Cb 0.00 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 2kdf s ILE 36 CO 0.00 0.39 1.23 -2.16 0.00 0.00 0.00 174.94 174.40 2kdf s PRO 37 N -1.47 3.43 0.22 2.79 0.04 -1.26 -3.95 135.00 134.80 2kdf s PRO 37 Ca 0.18 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2kdf s PRO 37 Cb -0.11 -2.27 0.20 0.00 0.04 0.00 0.00 34.50 32.36 2kdf s PRO 37 CO 0.09 -0.87 1.55 -1.00 0.04 0.00 0.00 177.00 176.81 2kdf h PRO 38 N 1.65 0.45 -0.04 0.56 0.13 -1.96 -2.90 132.00 129.89 2kdf h PRO 38 Ca -0.50 -0.27 0.01 0.00 -0.87 0.00 0.00 66.00 64.37 2kdf h PRO 38 Cb 1.27 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kdf h PRO 38 CO 0.58 0.86 0.05 -0.44 -0.23 0.00 0.00 178.00 178.82 2kdf h ASP 39 N 0.35 0.00 -0.89 1.44 5.19 -1.96 -0.56 116.42 119.98 2kdf h ASP 39 Ca 0.01 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.03 2kdf h ASP 39 Cb 1.03 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.31 2kdf h ASP 39 CO 0.09 0.00 0.50 0.00 -3.12 0.00 0.00 179.24 176.71 2kdf n GLN 40 N -3.79 2.85 -4.80 3.56 6.02 -1.09 -4.82 117.38 115.30 2kdf n GLN 40 Ca -0.02 -3.01 -0.25 0.00 -0.01 0.00 0.00 57.00 53.71 2kdf n GLN 40 Cb 0.13 -2.19 -0.15 0.00 1.02 0.00 0.00 30.24 29.05 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 -3.14 1.42 -0.19 -1.09 -0.21 -0.22 -2.10 119.66 114.13 2kdf s GLN 41 Ca 0.56 -0.69 -0.01 0.00 0.02 0.00 0.00 55.36 55.24 2kdf s GLN 41 Cb 0.46 -1.39 0.05 0.00 1.00 0.00 0.00 33.01 33.13 2kdf s GLN 41 CO 0.12 0.38 -0.01 1.03 -2.12 0.00 0.00 175.29 174.68 2kdf s ARG 42 N -0.57 1.12 -0.24 2.91 0.52 -0.24 -4.90 118.95 117.55 2kdf s ARG 42 Ca 0.07 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 2kdf s ARG 42 Cb -0.07 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 2kdf s ARG 42 CO -0.00 -0.55 0.66 -0.51 0.02 0.00 0.00 175.30 174.93 2kdf s LEU 43 N 1.69 4.08 -0.05 2.53 1.43 -1.26 -0.90 118.68 126.20 2kdf s LEU 43 Ca -0.01 0.79 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 2kdf s LEU 43 Cb -0.17 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2kdf s LEU 43 CO -0.07 -0.38 -0.19 -0.63 0.23 0.00 0.00 176.35 175.31 2kdf s ILE 44 N 2.45 1.57 -0.04 -0.59 1.09 -0.08 -0.84 121.20 124.75 2kdf s ILE 44 Ca 0.28 -0.79 -0.04 0.00 -1.10 0.00 0.00 60.65 59.00 2kdf s ILE 44 Cb -0.16 -1.34 0.01 0.00 -1.06 0.00 0.00 42.46 39.92 2kdf s ILE 44 CO 0.09 0.45 0.11 0.12 -0.10 0.00 0.00 174.94 175.60 2kdf s PHE 45 N -0.02 -0.11 -1.38 3.97 2.19 -0.26 -0.91 117.98 121.46 2kdf s PHE 45 Ca -0.03 0.27 -0.08 0.00 0.33 0.00 0.00 56.93 57.41 2kdf s PHE 45 Cb -0.12 0.03 0.05 0.00 -1.31 0.00 0.00 43.02 41.68 2kdf s PHE 45 CO 0.02 -0.07 0.56 0.00 1.83 0.00 0.00 175.22 177.56 2kdf n ALA 46 N 2.93 -1.05 -3.25 11.12 0.00 -1.26 -0.92 120.51 128.08 2kdf n ALA 46 Ca -0.13 0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 2kdf n ALA 46 Cb 0.59 -3.22 0.06 0.00 0.00 0.00 0.00 19.45 16.88 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 -1.31 -0.11 3.22 0.00 0.00 -1.26 -5.01 105.19 100.72 2kdf n GLY 47 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.84 0.31 0.20 1.61 1.02 -0.09 -5.14 119.74 111.82 2kdf s LYS 48 Ca 0.38 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 2kdf s LYS 48 Cb -0.17 0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 2kdf s LYS 48 CO 0.52 -0.22 1.17 -0.65 -0.92 0.00 0.00 175.35 175.24 2kdf s GLN 49 N 2.12 4.53 0.05 1.68 -0.21 -1.26 -1.10 119.66 125.46 2kdf s GLN 49 Ca -0.04 1.85 -0.15 0.00 0.02 0.00 0.00 55.36 57.03 2kdf s GLN 49 Cb -0.11 -3.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.61 2kdf s GLN 49 CO -0.12 -0.02 0.47 -0.51 -2.12 0.00 0.00 175.29 172.99 2kdf s LEU 50 N -0.50 4.45 0.52 2.90 1.43 -0.02 -4.94 118.68 122.52 2kdf s LEU 50 Ca 0.51 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2kdf s LEU 50 Cb -0.32 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 2kdf s LEU 50 CO 0.38 0.26 0.93 -1.61 0.23 0.00 0.00 176.35 176.54 2kdf s GLU 51 N -1.33 3.76 0.38 1.70 8.01 -1.26 -4.72 118.70 125.23 2kdf s GLU 51 Ca 0.28 0.71 0.20 0.00 0.01 0.00 0.00 54.97 56.17 2kdf s GLU 51 Cb -0.17 -2.20 0.61 0.00 -4.31 0.00 0.00 34.13 28.07 2kdf s GLU 51 CO 0.16 -0.31 1.69 -0.44 0.01 0.00 0.00 175.26 176.38 2kdf h ASP 52 N 0.53 0.00 0.93 -0.19 5.19 -1.98 -3.13 116.42 117.77 2kdf h ASP 52 Ca -0.46 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.74 2kdf h ASP 52 Cb 1.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2kdf h ASP 52 CO 0.62 0.34 -1.12 1.23 -3.12 0.00 0.00 179.24 177.19 2kdf h GLY 53 N 2.47 0.00 -1.03 2.75 0.00 -1.97 -3.07 103.07 102.22 2kdf h GLY 53 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.84 2kdf h GLY 53 CO 0.04 0.00 0.31 0.50 0.00 0.00 0.00 176.54 177.39 2kdf s ARG 54 N -2.73 1.72 0.00 4.80 1.81 -1.18 -4.79 118.95 118.58 2kdf s ARG 54 Ca -0.00 0.65 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 2kdf s ARG 54 Cb 0.09 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 2kdf s ARG 54 CO 0.81 -1.88 0.00 0.25 -0.68 0.00 0.00 175.30 173.80 2kdf n THR 55 N -3.61 0.00 0.09 0.02 -2.24 -1.26 -1.11 114.28 106.16 2kdf n THR 55 Ca 0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 2kdf n THR 55 Cb 0.56 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.00 -0.52 3.22 3.38 -1.27 -3.28 115.31 116.84 2kdf h LEU 56 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2kdf h LEU 56 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2kdf h LEU 56 CO 0.00 0.80 -0.73 0.77 0.09 0.00 0.00 178.44 179.37 2kdf h SER 57 N 0.00 0.13 -0.05 -0.43 4.64 -1.44 -2.27 113.55 114.12 2kdf h SER 57 Ca -0.02 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2kdf h SER 57 Cb 1.63 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2kdf h SER 57 CO 0.10 0.81 0.06 0.44 -0.87 0.00 0.00 176.83 177.37 2kdf h ASP 58 N 0.07 0.00 -0.42 4.97 5.19 -1.82 -0.91 116.42 123.50 2kdf h ASP 58 Ca -0.02 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.25 2kdf h ASP 58 Cb 1.29 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.71 2kdf h ASP 58 CO 0.10 0.00 0.06 -1.22 -3.12 0.00 0.00 179.24 175.06 2kdf n TYR 59 N -3.81 1.37 -3.44 4.55 4.01 -1.16 -4.98 117.16 113.70 2kdf n TYR 59 Ca -0.02 -1.28 -0.16 0.00 -0.16 0.00 0.00 57.90 56.28 2kdf n TYR 59 Cb 0.16 -0.48 0.02 0.00 -0.31 0.00 0.00 39.34 38.72 2kdf n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kdf n ASN 60 N -0.76 -6.28 -4.32 7.72 5.15 -0.35 -4.99 115.26 111.43 2kdf n ASN 60 Ca 0.32 -0.61 -0.32 0.00 -0.60 0.00 0.00 54.58 53.36 2kdf n ASN 60 Cb 1.08 -3.81 -0.15 0.00 -0.53 0.00 0.00 39.78 36.36 2kdf n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kdf s ILE 61 N -3.15 2.50 0.03 -1.44 1.01 -0.87 -5.02 121.20 114.27 2kdf s ILE 61 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2kdf s ILE 61 Cb -0.05 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 2kdf s ILE 61 CO 0.82 0.56 0.00 0.00 0.00 0.00 0.00 174.94 176.32 2kdf n GLN 62 N 3.14 1.91 -1.22 2.79 6.02 -1.26 -4.64 117.38 124.12 2kdf n GLN 62 Ca -0.18 -0.25 -0.32 0.00 -0.01 0.00 0.00 57.00 56.24 2kdf n GLN 62 Cb 0.52 0.07 0.11 0.00 1.02 0.00 0.00 30.24 31.96 2kdf n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kdf s LYS 63 N -2.12 1.92 -1.37 -1.09 -2.85 -1.26 -2.73 119.74 110.24 2kdf s LYS 63 Ca 0.00 1.51 0.00 0.00 -1.00 0.00 0.00 55.97 56.48 2kdf s LYS 63 Cb 0.00 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2kdf s LYS 63 CO 0.00 -1.95 0.00 0.39 0.10 0.00 0.00 175.35 173.89 2kdf n GLU 64 N -3.31 -1.64 -2.69 1.78 1.02 0.32 -4.91 120.64 111.21 2kdf n GLU 64 Ca 0.11 0.77 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 2kdf n GLU 64 Cb 0.52 -5.17 -0.04 0.00 -0.02 0.00 0.00 31.44 26.73 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 -2.13 7.42 0.09 1.62 0.01 -1.10 -4.61 113.70 115.00 2kdf s SER 65 Ca 0.00 1.79 -0.20 0.00 1.31 0.00 0.00 55.95 58.85 2kdf s SER 65 Cb 0.00 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2kdf s SER 65 CO 0.00 -0.16 0.59 -0.89 0.41 0.00 0.00 173.24 173.19 2kdf s THR 66 N 0.34 4.71 0.20 1.44 2.01 -1.26 -1.01 115.64 122.07 2kdf s THR 66 Ca 0.49 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.79 2kdf s THR 66 Cb -0.23 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2kdf s THR 66 CO 0.30 0.53 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.90 2kdf s LEU 67 N -1.18 2.48 -0.41 4.42 1.43 -0.02 -4.93 118.68 120.47 2kdf s LEU 67 Ca 0.30 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2kdf s LEU 67 Cb -0.20 -0.48 0.11 0.00 0.03 0.00 0.00 46.19 45.65 2kdf s LEU 67 CO 0.20 -0.30 0.22 -1.00 0.23 0.00 0.00 176.35 175.69 2kdf s HIS 68 N -3.18 3.57 0.05 0.29 3.76 -0.09 -0.89 115.29 118.80 2kdf s HIS 68 Ca 0.22 -2.35 -0.19 0.00 -0.15 0.00 0.00 55.06 52.59 2kdf s HIS 68 Cb 0.02 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 30.40 2kdf s HIS 68 CO 0.05 -0.97 0.56 -1.17 -0.85 0.00 0.00 174.74 172.36 2kdf s LEU 69 N 1.17 4.50 0.25 0.89 2.96 -0.24 -0.91 118.68 127.30 2kdf s LEU 69 Ca 0.08 1.21 0.07 0.00 -0.22 0.00 0.00 54.13 55.27 2kdf s LEU 69 Cb -0.23 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 2kdf s LEU 69 CO -0.04 0.25 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.47 2kdf s VAL 70 N -0.93 1.61 -0.19 1.68 1.01 -0.08 -4.03 120.40 119.47 2kdf s VAL 70 Ca 0.29 -2.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 2kdf s VAL 70 Cb -0.19 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2kdf s VAL 70 CO 0.18 -0.41 -0.04 -0.76 0.00 0.00 0.00 175.10 174.07 2kdf s LEU 71 N -3.38 3.01 0.02 3.92 1.43 -1.26 -1.08 118.68 121.34 2kdf s LEU 71 Ca 0.27 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2kdf s LEU 71 Cb 0.02 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kdf s LEU 71 CO 0.10 0.05 0.21 -0.60 0.23 0.00 0.00 176.35 176.34 2kdf s ARG 72 N 1.06 3.47 0.48 1.70 3.00 -0.89 -4.98 118.95 122.79 2kdf s ARG 72 Ca 0.01 -0.30 0.02 0.00 -1.00 0.00 0.00 55.73 54.46 2kdf s ARG 72 Cb -0.15 -3.07 -0.01 0.00 0.00 0.00 0.00 34.95 31.73 2kdf s ARG 72 CO 0.00 0.64 0.06 1.28 0.00 0.00 0.00 175.30 177.28 2kdf n LEU 73 N 0.77 0.00 -4.47 -0.88 4.77 -1.26 -4.72 117.00 111.22 2kdf n LEU 73 Ca -0.09 -3.23 -0.22 0.00 -0.03 0.00 0.00 56.01 52.43 2kdf n LEU 73 Cb 0.52 0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 42.13 2kdf n LEU 73 CO 0.46 -0.47 -0.27 -0.13 -1.33 0.00 0.00 177.39 175.64 2kdf s ARG 74 N -3.77 1.68 -0.49 3.23 0.52 -1.26 -5.11 118.95 113.76 2kdf s ARG 74 Ca 0.08 -1.93 0.06 0.00 -0.52 0.00 0.00 55.73 53.42 2kdf s ARG 74 Cb 0.00 -0.95 0.21 0.00 0.52 0.00 0.00 34.95 34.74 2kdf s ARG 74 CO 0.06 -0.17 0.74 0.41 0.02 0.00 0.00 175.30 176.35 2kdf n GLY 75 N -0.71 0.24 0.00 -3.53 0.00 -1.26 -5.34 105.19 94.59 2kdf n GLY 75 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93