#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 3.22 0.22 2.12 -0.21 -1.26 0.10 119.66 123.85 2kdf s GLN 2 Ca 0.00 -0.57 0.07 0.00 0.02 0.00 0.00 55.36 54.88 2kdf s GLN 2 Cb 0.00 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.95 2kdf s GLN 2 CO 0.00 -1.14 0.09 0.96 -2.12 0.00 0.00 175.29 173.08 2kdf s ILE 3 N 2.86 4.07 0.12 1.08 -4.36 -0.42 -0.52 121.20 124.03 2kdf s ILE 3 Ca 0.20 -1.46 0.05 0.00 -0.26 0.00 0.00 60.65 59.19 2kdf s ILE 3 Cb -0.16 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 2kdf s ILE 3 CO 0.16 -0.25 0.02 -0.36 0.24 0.00 0.00 174.94 174.75 2kdf s PHE 4 N -2.00 2.97 -0.19 1.37 0.08 -0.23 -0.96 117.98 119.02 2kdf s PHE 4 Ca 0.31 -0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 2kdf s PHE 4 Cb -0.08 -1.49 0.06 0.00 -0.57 0.00 0.00 43.02 40.94 2kdf s PHE 4 CO 0.22 0.49 0.08 0.08 -0.10 0.00 0.00 175.22 176.00 2kdf s VAL 5 N -1.47 0.04 0.38 -0.44 1.01 0.62 -0.73 120.40 119.82 2kdf s VAL 5 Ca 0.27 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2kdf s VAL 5 Cb -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2kdf s VAL 5 CO 0.19 -0.31 0.69 -0.54 0.00 0.00 0.00 175.10 175.13 2kdf s LYS 6 N 2.08 3.66 0.00 2.72 1.02 -0.13 -0.75 119.74 128.34 2kdf s LYS 6 Ca 0.02 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2kdf s LYS 6 Cb -0.16 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2kdf s LYS 6 CO -0.11 0.01 0.00 0.25 -0.92 0.00 0.00 175.35 174.58 2kdf n THR 7 N -1.45 0.00 0.04 2.17 -2.24 -0.13 -1.07 114.28 111.59 2kdf n THR 7 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2kdf n THR 7 Cb 0.54 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 2kdf n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kdf h LEU 8 N 0.00 0.00 -1.06 3.22 3.38 -1.90 -3.30 115.31 115.65 2kdf h LEU 8 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kdf h LEU 8 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kdf h LEU 8 CO 0.00 0.92 -0.44 0.71 0.09 0.00 0.00 178.44 179.71 2kdf h THR 9 N 0.00 1.20 0.00 0.22 1.35 -1.96 -3.46 112.91 110.26 2kdf h THR 9 Ca -0.11 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2kdf h THR 9 Cb 1.79 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 2kdf h THR 9 CO 0.10 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2kdf n GLY 10 N -0.09 0.99 3.13 5.82 0.00 -1.24 -5.14 105.19 108.67 2kdf n GLY 10 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 0.02 1.81 -0.08 1.61 2.20 -1.26 -4.93 119.74 119.11 2kdf s LYS 11 Ca 0.00 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2kdf s LYS 11 Cb 0.00 -1.57 -0.03 0.00 -1.51 0.00 0.00 37.83 34.73 2kdf s LYS 11 CO 0.00 0.24 -0.09 0.99 -0.36 0.00 0.00 175.35 176.13 2kdf s THR 12 N 0.06 3.54 0.03 3.43 2.01 -1.26 -0.96 115.64 122.49 2kdf s THR 12 Ca -0.05 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.50 2kdf s THR 12 Cb -0.12 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2kdf s THR 12 CO 0.02 0.58 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.68 2kdf s ILE 13 N -0.55 2.43 -0.21 1.82 1.01 0.08 -4.87 121.20 120.91 2kdf s ILE 13 Ca 0.08 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 2kdf s ILE 13 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2kdf s ILE 13 CO 0.02 0.40 0.02 -0.89 0.00 0.00 0.00 174.94 174.49 2kdf s THR 14 N -0.82 4.10 -0.09 2.92 2.01 -1.26 -0.28 115.64 122.23 2kdf s THR 14 Ca 0.13 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2kdf s THR 14 Cb -0.10 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.56 2kdf s THR 14 CO 0.03 0.41 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.49 2kdf s LEU 15 N 1.06 1.57 -0.74 4.42 1.43 -0.13 -4.94 118.68 121.35 2kdf s LEU 15 Ca 0.03 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 2kdf s LEU 15 Cb -0.14 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.21 2kdf s LEU 15 CO 0.02 -0.01 1.13 -0.70 0.23 0.00 0.00 176.35 177.02 2kdf s GLU 16 N 1.01 3.23 0.00 1.70 2.12 -1.26 -1.30 118.70 124.20 2kdf s GLU 16 Ca -0.07 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2kdf s GLU 16 Cb -0.15 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 29.86 2kdf s GLU 16 CO -0.01 -1.96 0.00 1.33 -0.54 0.00 0.00 175.26 174.08 2kdf n VAL 17 N 6.12 0.00 -4.30 3.70 0.24 0.28 -4.72 118.33 119.66 2kdf n VAL 17 Ca 0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.18 2kdf n VAL 17 Cb 0.47 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 0.26 1.29 0.53 7.34 2.02 -1.26 0.10 118.70 128.98 2kdf s GLU 18 Ca 0.00 -1.65 0.31 0.00 0.02 0.00 0.00 54.97 53.65 2kdf s GLU 18 Cb 0.00 -0.44 1.32 0.00 0.10 0.00 0.00 34.13 35.11 2kdf s GLU 18 CO 0.00 -0.15 1.97 -1.00 0.02 0.00 0.00 175.26 176.11 2kdf h PRO 19 N 2.52 0.00 -0.75 0.39 0.13 -1.96 -2.60 132.00 129.72 2kdf h PRO 19 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2kdf h PRO 19 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2kdf h PRO 19 CO 0.63 0.06 0.13 -1.13 -0.23 0.00 0.00 178.00 177.46 2kdf n SER 20 N -3.20 4.51 -4.85 1.44 3.41 -1.26 -1.27 113.62 112.40 2kdf n SER 20 Ca 0.00 -2.88 -0.36 0.00 -0.26 0.00 0.00 58.87 55.37 2kdf n SER 20 Cb 0.32 -0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.67 6.77 0.45 4.04 1.11 -0.98 -4.91 116.67 122.48 2kdf s ASP 21 Ca 0.44 0.94 -0.15 0.00 0.18 0.00 0.00 52.55 53.96 2kdf s ASP 21 Cb 0.34 -2.24 -0.08 0.00 1.07 0.00 0.00 42.92 42.02 2kdf s ASP 21 CO 0.12 0.23 0.89 0.42 1.18 0.00 0.00 175.17 178.01 2kdf s THR 22 N -1.26 4.61 0.37 -1.27 -4.23 -1.26 -1.27 115.64 111.32 2kdf s THR 22 Ca 0.30 1.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.89 2kdf s THR 22 Cb -0.16 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.23 2kdf s THR 22 CO 0.16 -0.55 2.01 0.40 -0.54 0.00 0.00 174.62 176.10 2kdf h ILE 23 N 1.19 1.15 -0.44 2.99 1.08 -1.18 -0.81 117.51 121.49 2kdf h ILE 23 Ca -0.47 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 2kdf h ILE 23 Cb 1.18 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 2kdf h ILE 23 CO 0.62 0.16 0.16 -0.08 -0.69 0.00 0.00 178.15 178.32 2kdf h GLU 24 N 0.72 0.63 -0.40 2.37 4.81 -1.78 -0.83 114.58 120.10 2kdf h GLU 24 Ca 0.19 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2kdf h GLU 24 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2kdf h GLU 24 CO -0.04 0.54 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.71 2kdf h ASN 25 N 0.63 0.83 -0.58 1.04 4.21 -1.47 -2.14 115.58 118.10 2kdf h ASN 25 Ca 0.15 -0.39 -0.03 0.00 1.21 0.00 0.00 56.30 57.25 2kdf h ASN 25 Cb 0.15 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 2kdf h ASN 25 CO -0.01 1.04 0.26 0.58 -1.29 0.00 0.00 177.43 178.00 2kdf h VAL 26 N 0.63 1.22 -0.86 2.81 2.07 -0.85 -1.99 116.25 119.27 2kdf h VAL 26 Ca 0.09 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.00 2kdf h VAL 26 Cb 0.70 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2kdf h VAL 26 CO 0.05 0.25 0.57 0.11 0.02 0.00 0.00 177.57 178.57 2kdf h LYS 27 N 0.79 1.09 -0.59 1.57 1.57 -1.03 -0.95 116.57 119.02 2kdf h LYS 27 Ca 0.20 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2kdf h LYS 27 Cb 0.15 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2kdf h LYS 27 CO -0.02 0.72 0.14 0.00 -0.57 0.00 0.00 179.45 179.72 2kdf h ALA 28 N 1.48 1.13 -0.39 3.86 0.00 -0.81 -1.31 119.26 123.22 2kdf h ALA 28 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kdf h ALA 28 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2kdf h ALA 28 CO -0.09 0.58 0.20 0.87 0.00 0.00 0.00 179.25 180.82 2kdf h LYS 29 N 0.88 0.56 -0.11 0.00 1.57 -0.49 -1.80 116.57 117.17 2kdf h LYS 29 Ca 0.19 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2kdf h LYS 29 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2kdf h LYS 29 CO -0.00 0.48 -0.16 0.82 -0.57 0.00 0.00 179.45 180.02 2kdf h ILE 30 N 0.50 1.18 0.00 1.86 2.04 -1.01 -1.66 117.51 120.41 2kdf h ILE 30 Ca 0.14 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 2kdf h ILE 30 Cb 0.10 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2kdf h ILE 30 CO -0.02 0.24 -0.34 -0.61 0.00 0.00 0.00 178.15 177.43 2kdf h GLN 31 N 0.17 0.00 0.00 2.37 -0.00 -0.45 0.26 115.11 117.47 2kdf h GLN 31 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.53 2kdf h GLN 31 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 2kdf h GLN 31 CO 0.02 0.34 -0.82 0.22 0.00 0.00 0.00 178.83 178.59 2kdf h ASP 32 N 0.00 0.00 0.00 -0.69 1.82 -0.59 -2.02 116.42 114.94 2kdf h ASP 32 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2kdf h ASP 32 Cb 0.61 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 2kdf h ASP 32 CO 0.04 0.68 -0.38 0.11 -1.61 0.00 0.00 179.24 178.09 2kdf h LYS 33 N 0.00 0.00 0.03 0.28 1.57 -1.03 -3.41 116.57 114.01 2kdf h LYS 33 Ca -0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2kdf h LYS 33 Cb 1.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.87 2kdf h LYS 33 CO 0.08 0.07 -0.26 0.93 -0.57 0.00 0.00 179.45 179.70 2kdf h GLU 34 N -1.00 0.13 0.00 3.15 4.39 -1.14 -3.49 114.58 116.62 2kdf h GLU 34 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2kdf h GLU 34 Cb 0.40 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kdf h GLU 34 CO -0.01 1.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.25 2kdf n GLY 35 N 1.37 1.95 3.66 -3.84 0.00 -0.76 -5.04 105.19 102.53 2kdf n GLY 35 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 4.04 0.49 -0.61 1.01 -1.24 -5.02 121.20 117.87 2kdf s ILE 36 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 2kdf s ILE 36 Cb 0.00 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 2kdf s ILE 36 CO 0.00 0.39 1.25 -2.16 0.00 0.00 0.00 174.94 174.42 2kdf s PRO 37 N -1.51 3.54 0.25 2.79 0.04 -1.26 -4.02 135.00 134.84 2kdf s PRO 37 Ca 0.19 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.25 2kdf s PRO 37 Cb -0.11 -2.38 0.31 0.00 0.04 0.00 0.00 34.50 32.35 2kdf s PRO 37 CO 0.09 -0.79 1.61 -1.00 0.04 0.00 0.00 177.00 176.95 2kdf h PRO 38 N 1.88 0.31 0.00 0.56 0.13 -1.94 -2.84 132.00 130.10 2kdf h PRO 38 Ca -0.50 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2kdf h PRO 38 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kdf h PRO 38 CO 0.59 0.74 -0.02 0.22 -0.23 0.00 0.00 178.00 179.30 2kdf h ASP 39 N 0.24 0.00 -0.77 1.44 1.82 -1.97 -0.93 116.42 116.25 2kdf h ASP 39 Ca 0.01 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 2kdf h ASP 39 Cb 0.97 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 40.83 2kdf h ASP 39 CO 0.08 0.02 0.32 0.00 -1.61 0.00 0.00 179.24 178.05 2kdf n GLN 40 N -3.88 3.55 -4.15 0.28 6.02 -1.07 -4.84 117.38 113.29 2kdf n GLN 40 Ca -0.03 -3.09 -0.15 0.00 -0.01 0.00 0.00 57.00 53.72 2kdf n GLN 40 Cb 0.11 -2.21 -0.11 0.00 1.02 0.00 0.00 30.24 29.04 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 -3.04 0.76 -0.01 -1.09 -0.21 -0.36 -2.22 119.66 113.51 2kdf s GLN 41 Ca 0.56 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.86 2kdf s GLN 41 Cb 0.45 -0.52 -0.00 0.00 1.00 0.00 0.00 33.01 33.93 2kdf s GLN 41 CO 0.13 0.09 0.09 1.03 -2.12 0.00 0.00 175.29 174.52 2kdf s ARG 42 N -2.32 0.35 -0.30 2.91 0.52 -0.29 -4.87 118.95 114.94 2kdf s ARG 42 Ca 0.00 -0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 54.86 2kdf s ARG 42 Cb -0.06 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.58 2kdf s ARG 42 CO 0.00 -0.07 0.06 -0.51 0.02 0.00 0.00 175.30 174.80 2kdf s LEU 43 N -1.01 3.90 -0.02 2.53 1.43 -1.26 -0.83 118.68 123.42 2kdf s LEU 43 Ca -0.11 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2kdf s LEU 43 Cb -0.06 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2kdf s LEU 43 CO 0.01 -0.23 0.02 -0.63 0.23 0.00 0.00 176.35 175.75 2kdf s ILE 44 N 1.43 4.35 -0.18 -0.59 -1.09 -0.05 -1.00 121.20 124.06 2kdf s ILE 44 Ca 0.00 -0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 57.75 2kdf s ILE 44 Cb -0.18 -2.93 0.05 0.00 -1.58 0.00 0.00 42.46 37.82 2kdf s ILE 44 CO 0.01 0.41 0.53 0.12 -1.23 0.00 0.00 174.94 174.78 2kdf s PHE 45 N -1.08 -0.56 -1.15 3.97 5.36 -0.32 -0.81 117.98 123.38 2kdf s PHE 45 Ca 0.19 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2kdf s PHE 45 Cb -0.12 0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.79 2kdf s PHE 45 CO 0.10 -0.31 0.17 0.00 -1.46 0.00 0.00 175.22 173.72 2kdf n ALA 46 N 2.60 -0.86 -3.10 11.12 0.00 -1.26 -0.58 120.51 128.42 2kdf n ALA 46 Ca -0.14 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2kdf n ALA 46 Cb 0.56 -2.00 0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.95 0.04 3.11 0.00 0.00 -1.26 -5.03 105.19 101.11 2kdf n GLY 47 Ca -0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.60 0.27 -0.28 1.61 1.02 0.25 -5.12 119.74 111.89 2kdf s LYS 48 Ca 0.28 0.33 -0.27 0.00 0.02 0.00 0.00 55.97 56.33 2kdf s LYS 48 Cb -0.13 0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.32 2kdf s LYS 48 CO 0.44 -0.03 0.96 -1.14 -0.92 0.00 0.00 175.35 174.65 2kdf s GLN 49 N 0.14 4.12 0.17 1.68 0.74 -1.26 -1.17 119.66 124.08 2kdf s GLN 49 Ca -0.00 1.03 -0.30 0.00 0.05 0.00 0.00 55.36 56.13 2kdf s GLN 49 Cb -0.02 -3.69 -0.07 0.00 1.10 0.00 0.00 33.01 30.33 2kdf s GLN 49 CO 0.00 -0.71 1.06 -0.51 -0.55 0.00 0.00 175.29 174.58 2kdf s LEU 50 N 3.23 4.51 0.61 3.68 1.43 -0.17 -4.99 118.68 126.97 2kdf s LEU 50 Ca 0.40 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 2kdf s LEU 50 Cb -0.14 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2kdf s LEU 50 CO 0.11 -0.15 1.03 -1.61 0.23 0.00 0.00 176.35 175.95 2kdf s GLU 51 N -0.39 3.52 0.30 1.70 0.41 -1.26 -4.62 118.70 118.36 2kdf s GLU 51 Ca 0.48 0.88 0.16 0.00 -0.41 0.00 0.00 54.97 56.08 2kdf s GLU 51 Cb -0.28 -2.07 0.27 0.00 -1.78 0.00 0.00 34.13 30.28 2kdf s GLU 51 CO 0.34 -0.63 1.54 -0.44 -0.49 0.00 0.00 175.26 175.57 2kdf h ASP 52 N -0.05 0.00 0.89 -0.19 5.19 -1.95 -3.22 116.42 117.08 2kdf h ASP 52 Ca -0.45 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.74 2kdf h ASP 52 Cb 1.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2kdf h ASP 52 CO 0.60 0.49 -1.18 1.23 -3.12 0.00 0.00 179.24 177.27 2kdf h GLY 53 N 2.94 0.00 -1.12 2.75 0.00 -1.97 -2.95 103.07 102.72 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 0.06 0.00 0.27 0.50 0.00 0.00 0.00 176.54 177.37 2kdf s ARG 54 N -2.71 1.46 0.13 4.80 1.81 -1.22 -4.76 118.95 118.46 2kdf s ARG 54 Ca -0.01 0.87 0.01 0.00 -1.72 0.00 0.00 55.73 54.88 2kdf s ARG 54 Cb 0.09 -1.83 0.01 0.00 -0.45 0.00 0.00 34.95 32.78 2kdf s ARG 54 CO 0.81 -2.12 0.10 0.25 -0.68 0.00 0.00 175.30 173.67 2kdf n THR 55 N -3.80 0.00 0.07 0.02 -2.24 -1.26 -1.10 114.28 105.96 2kdf n THR 55 Ca 0.07 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 2kdf n THR 55 Cb 0.55 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.67 -1.47 3.22 3.38 -1.21 -3.22 115.31 116.68 2kdf h LEU 56 Ca -0.08 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 2kdf h LEU 56 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2kdf h LEU 56 CO 0.12 1.37 -0.26 -1.28 0.09 0.00 0.00 178.44 178.48 2kdf h SER 57 N 0.27 0.00 -0.00 -0.43 0.87 -1.42 -1.88 113.55 110.97 2kdf h SER 57 Ca -0.11 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2kdf h SER 57 Cb 1.68 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2kdf h SER 57 CO 0.19 0.27 0.00 0.44 -0.53 0.00 0.00 176.83 177.19 2kdf h ASP 58 N 0.00 0.00 -0.53 6.23 3.32 -1.81 -1.33 116.42 122.29 2kdf h ASP 58 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 2kdf h ASP 58 Cb 0.46 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.88 2kdf h ASP 58 CO 0.03 0.00 0.14 -1.22 -1.72 0.00 0.00 179.24 176.48 2kdf n TYR 59 N -4.00 1.70 -2.69 4.55 4.01 -0.88 -4.92 117.16 114.92 2kdf n TYR 59 Ca -0.03 -1.49 -0.16 0.00 -0.16 0.00 0.00 57.90 56.06 2kdf n TYR 59 Cb 0.08 -0.59 -0.00 0.00 -0.31 0.00 0.00 39.34 38.52 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 -0.90 -4.09 -4.62 7.72 4.05 -0.50 -4.89 115.26 112.03 2kdf n ASN 60 Ca 0.38 0.02 -0.43 0.00 0.45 0.00 0.00 54.58 55.01 2kdf n ASN 60 Cb 1.21 -3.43 -0.02 0.00 1.23 0.00 0.00 39.78 38.76 2kdf n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2kdf s ILE 61 N -2.74 4.33 0.29 -1.44 1.01 -0.76 -5.02 121.20 116.87 2kdf s ILE 61 Ca 0.11 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.23 2kdf s ILE 61 Cb -0.06 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.93 2kdf s ILE 61 CO 0.14 -0.80 0.37 0.00 0.00 0.00 0.00 174.94 174.64 2kdf n GLN 62 N 7.45 0.85 -0.96 2.79 6.02 -1.26 -4.52 117.38 127.75 2kdf n GLN 62 Ca 0.12 -1.58 -0.31 0.00 -0.01 0.00 0.00 57.00 55.22 2kdf n GLN 62 Cb 0.48 -0.07 0.13 0.00 1.02 0.00 0.00 30.24 31.80 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 -3.28 1.57 -1.30 -1.09 -2.85 -1.26 -2.89 119.74 108.65 2kdf s LYS 63 Ca 0.28 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 2kdf s LYS 63 Cb -0.02 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 2kdf s LYS 63 CO 0.18 -2.19 0.00 0.39 0.10 0.00 0.00 175.35 173.82 2kdf n GLU 64 N -3.88 -1.87 -3.07 1.78 1.02 0.33 -4.92 120.64 110.02 2kdf n GLU 64 Ca 0.11 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.59 2kdf n GLU 64 Cb 0.52 -5.24 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.08 7.12 -0.29 1.62 0.01 -1.14 -4.72 113.70 114.21 2kdf s SER 65 Ca 0.00 1.33 -0.20 0.00 1.31 0.00 0.00 55.95 58.40 2kdf s SER 65 Cb 0.00 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2kdf s SER 65 CO 0.00 0.05 0.59 -0.89 0.41 0.00 0.00 173.24 173.41 2kdf s THR 66 N -0.12 4.98 -0.00 1.44 2.01 -1.26 -1.07 115.64 121.62 2kdf s THR 66 Ca 0.35 0.89 0.04 0.00 0.31 0.00 0.00 61.69 63.28 2kdf s THR 66 Cb -0.20 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2kdf s THR 66 CO 0.21 -0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.24 2kdf s LEU 67 N 2.50 3.08 0.18 4.42 1.43 0.09 -4.93 118.68 125.45 2kdf s LEU 67 Ca 0.24 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 2kdf s LEU 67 Cb -0.15 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 2kdf s LEU 67 CO 0.10 0.29 0.70 -1.00 0.23 0.00 0.00 176.35 176.67 2kdf s HIS 68 N -0.96 3.75 -0.20 0.29 3.76 0.01 -0.95 115.29 120.98 2kdf s HIS 68 Ca 0.16 1.41 -0.01 0.00 -0.15 0.00 0.00 55.06 56.48 2kdf s HIS 68 Cb -0.11 -2.62 0.01 0.00 1.11 0.00 0.00 32.58 30.97 2kdf s HIS 68 CO 0.06 0.44 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.09 2kdf s LEU 69 N -1.59 2.54 0.19 0.89 2.96 -0.23 -0.87 118.68 122.56 2kdf s LEU 69 Ca 0.38 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2kdf s LEU 69 Cb -0.19 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2kdf s LEU 69 CO 0.22 -0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.78 2kdf s VAL 70 N 1.34 4.92 -0.19 1.68 1.01 -0.01 -4.22 120.40 124.93 2kdf s VAL 70 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2kdf s VAL 70 Cb -0.14 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2kdf s VAL 70 CO -0.09 -0.20 -0.11 -0.76 0.00 0.00 0.00 175.10 173.94 2kdf s LEU 71 N -3.49 2.16 0.42 3.92 1.43 -1.26 -1.13 118.68 120.72 2kdf s LEU 71 Ca 0.33 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 2kdf s LEU 71 Cb -0.10 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 2kdf s LEU 71 CO 0.27 -0.13 0.85 -0.60 0.23 0.00 0.00 176.35 176.97 2kdf s ARG 72 N 1.41 3.95 0.10 1.70 3.52 -0.94 -4.98 118.95 123.71 2kdf s ARG 72 Ca 0.00 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 2kdf s ARG 72 Cb -0.15 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 2kdf s ARG 72 CO -0.09 -0.05 0.08 -0.51 -0.81 0.00 0.00 175.30 173.93 2kdf s LEU 73 N -3.58 1.84 -0.08 -0.88 1.43 -1.26 -4.81 118.68 111.35 2kdf s LEU 73 Ca 0.56 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2kdf s LEU 73 Cb -0.10 0.52 -0.01 0.00 0.03 0.00 0.00 46.19 46.63 2kdf s LEU 73 CO 0.25 -0.71 -0.22 -0.13 0.23 0.00 0.00 176.35 175.77 2kdf s ARG 74 N -3.96 2.82 -0.36 1.70 0.52 -1.26 -5.03 118.95 113.38 2kdf s ARG 74 Ca 0.14 -0.85 0.12 0.00 -0.52 0.00 0.00 55.73 54.62 2kdf s ARG 74 Cb 0.07 -2.29 0.45 0.00 0.52 0.00 0.00 34.95 33.69 2kdf s ARG 74 CO -0.05 0.32 1.06 0.41 0.02 0.00 0.00 175.30 177.06 2kdf n GLY 75 N 3.15 3.98 0.00 -3.53 0.00 -1.26 -5.34 105.19 102.19 2kdf n GLY 75 Ca -0.18 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93