#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 3.08 0.35 2.12 -0.21 -1.26 -0.14 119.66 123.60 2kdf s GLN 2 Ca 0.00 -1.97 0.05 0.00 0.02 0.00 0.00 55.36 53.46 2kdf s GLN 2 Cb 0.00 -4.26 -0.01 0.00 1.00 0.00 0.00 33.01 29.74 2kdf s GLN 2 CO 0.00 -1.29 0.51 0.96 -2.12 0.00 0.00 175.29 173.34 2kdf s ILE 3 N 1.09 4.18 -0.05 1.08 -4.36 -0.42 -0.51 121.20 122.22 2kdf s ILE 3 Ca 0.08 -0.87 0.06 0.00 -0.26 0.00 0.00 60.65 59.66 2kdf s ILE 3 Cb -0.23 -3.47 -0.01 0.00 1.25 0.00 0.00 42.46 39.99 2kdf s ILE 3 CO -0.01 -0.22 -0.22 -0.36 0.24 0.00 0.00 174.94 174.36 2kdf s PHE 4 N -2.25 2.15 -0.31 1.37 0.40 -0.21 -0.83 117.98 118.32 2kdf s PHE 4 Ca 0.45 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2kdf s PHE 4 Cb -0.10 -1.42 0.06 0.00 0.51 0.00 0.00 43.02 42.07 2kdf s PHE 4 CO 0.33 -0.17 0.02 0.08 0.70 0.00 0.00 175.22 176.18 2kdf s VAL 5 N -0.18 2.98 -0.01 -0.44 1.01 0.21 -0.84 120.40 123.13 2kdf s VAL 5 Ca -0.01 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 2kdf s VAL 5 Cb -0.12 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 2kdf s VAL 5 CO 0.02 -0.17 0.52 -0.75 0.00 0.00 0.00 175.10 174.73 2kdf s LYS 6 N 1.23 4.20 0.00 2.72 2.20 -0.09 -0.82 119.74 129.19 2kdf s LYS 6 Ca -0.04 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2kdf s LYS 6 Cb -0.20 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2kdf s LYS 6 CO -0.02 0.46 0.00 0.25 -0.36 0.00 0.00 175.35 175.69 2kdf n THR 7 N 2.47 0.00 -1.05 3.43 -2.24 -0.11 -1.09 114.28 115.69 2kdf n THR 7 Ca -0.09 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 2kdf n THR 7 Cb 0.51 -0.95 0.15 0.00 -2.10 0.00 0.00 70.33 67.94 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 6.57 -1.16 3.22 4.77 -1.26 -4.19 117.00 124.94 2kdf n LEU 8 Ca 0.00 -3.52 0.03 0.00 -0.03 0.00 0.00 56.01 52.49 2kdf n LEU 8 Cb 0.00 -0.84 0.03 0.00 -2.33 0.00 0.00 43.42 40.29 2kdf n LEU 8 CO 0.00 1.07 0.14 0.35 -1.33 0.00 0.00 177.39 177.62 2kdf n THR 9 N -0.94 0.23 -2.65 -5.08 -2.24 -1.26 -4.97 114.28 97.37 2kdf n THR 9 Ca 0.55 -0.98 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 2kdf n THR 9 Cb 1.41 0.75 0.01 0.00 -2.10 0.00 0.00 70.33 70.41 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 0.20 -0.39 3.03 3.38 0.00 -1.26 -4.99 105.19 105.17 2kdf n GLY 10 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.25 1.96 0.11 1.61 2.20 -1.26 -5.01 119.74 114.10 2kdf s LYS 11 Ca 0.14 -0.47 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 2kdf s LYS 11 Cb -0.06 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 2kdf s LYS 11 CO 0.17 -0.05 -0.16 0.99 -0.36 0.00 0.00 175.35 175.94 2kdf s THR 12 N 0.95 2.97 0.06 3.43 2.01 -1.26 -0.93 115.64 122.87 2kdf s THR 12 Ca -0.08 -1.44 0.09 0.00 0.31 0.00 0.00 61.69 60.57 2kdf s THR 12 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2kdf s THR 12 CO -0.00 0.10 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.14 2kdf s ILE 13 N -1.16 2.10 -0.61 1.82 1.01 0.00 -4.89 121.20 119.47 2kdf s ILE 13 Ca 0.19 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 2kdf s ILE 13 Cb -0.11 -1.81 0.12 0.00 0.01 0.00 0.00 42.46 40.67 2kdf s ILE 13 CO 0.11 0.30 0.68 -0.89 0.00 0.00 0.00 174.94 175.15 2kdf s THR 14 N -0.85 4.94 -0.31 2.92 2.01 -1.26 -0.62 115.64 122.47 2kdf s THR 14 Ca 0.11 -1.20 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 2kdf s THR 14 Cb -0.10 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 67.92 2kdf s THR 14 CO 0.03 -1.09 0.35 -0.76 -0.69 0.00 0.00 174.62 172.46 2kdf s LEU 15 N 2.33 4.26 -0.47 4.42 2.01 -0.01 -4.94 118.68 126.29 2kdf s LEU 15 Ca 0.11 -0.04 -0.23 0.00 0.01 0.00 0.00 54.13 53.99 2kdf s LEU 15 Cb -0.24 -2.35 0.03 0.00 0.01 0.00 0.00 46.19 43.64 2kdf s LEU 15 CO 0.04 -0.26 0.78 -0.70 1.01 0.00 0.00 176.35 177.22 2kdf s GLU 16 N 2.02 3.36 0.00 1.70 2.12 -1.26 -1.30 118.70 125.34 2kdf s GLU 16 Ca 0.13 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2kdf s GLU 16 Cb -0.16 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.26 2kdf s GLU 16 CO 0.11 -1.17 0.00 1.33 -0.54 0.00 0.00 175.26 174.99 2kdf n VAL 17 N 6.08 0.00 -4.42 3.70 0.24 0.80 -4.89 118.33 119.84 2kdf n VAL 17 Ca 0.01 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.11 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 -0.17 1.54 0.43 7.34 0.41 -1.26 0.11 118.70 127.09 2kdf s GLU 18 Ca 0.00 -1.81 0.23 0.00 -0.41 0.00 0.00 54.97 52.97 2kdf s GLU 18 Cb 0.00 -0.92 0.88 0.00 -1.78 0.00 0.00 34.13 32.31 2kdf s GLU 18 CO 0.00 -0.08 1.82 -1.00 -0.49 0.00 0.00 175.26 175.50 2kdf h PRO 19 N 2.26 0.00 -0.80 0.39 0.13 -1.96 -2.87 132.00 129.14 2kdf h PRO 19 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 2kdf h PRO 19 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 2kdf h PRO 19 CO 0.68 0.26 0.17 0.43 -0.23 0.00 0.00 178.00 179.30 2kdf n SER 20 N -3.45 4.14 -4.87 1.44 7.64 -1.26 -1.20 113.62 116.07 2kdf n SER 20 Ca -0.00 -2.85 -0.34 0.00 1.01 0.00 0.00 58.87 56.69 2kdf n SER 20 Cb 0.44 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 2kdf n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kdf s ASP 21 N -0.60 6.66 0.44 6.43 1.11 -1.08 -4.89 116.67 124.74 2kdf s ASP 21 Ca 0.40 0.83 -0.16 0.00 0.18 0.00 0.00 52.55 53.80 2kdf s ASP 21 Cb 0.32 -2.19 -0.08 0.00 1.07 0.00 0.00 42.92 42.03 2kdf s ASP 21 CO 0.10 0.14 0.89 0.42 1.18 0.00 0.00 175.17 177.91 2kdf s THR 22 N -1.45 4.57 0.34 -1.27 -4.23 -1.26 -1.28 115.64 111.06 2kdf s THR 22 Ca 0.35 1.12 0.01 0.00 -1.18 0.00 0.00 61.69 61.99 2kdf s THR 22 Cb -0.14 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.28 2kdf s THR 22 CO 0.19 -0.49 2.00 0.40 -0.54 0.00 0.00 174.62 176.18 2kdf h ILE 23 N 1.34 1.17 -0.45 2.99 1.08 -1.20 -0.85 117.51 121.60 2kdf h ILE 23 Ca -0.48 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2kdf h ILE 23 Cb 1.18 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2kdf h ILE 23 CO 0.62 0.17 0.17 -0.08 -0.69 0.00 0.00 178.15 178.35 2kdf h GLU 24 N 0.90 0.64 -0.47 2.37 4.81 -1.79 -0.79 114.58 120.24 2kdf h GLU 24 Ca 0.24 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2kdf h GLU 24 Cb -0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2kdf h GLU 24 CO -0.05 0.53 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.69 2kdf h ASN 25 N 0.63 0.96 -0.43 1.04 4.21 -1.48 -2.14 115.58 118.38 2kdf h ASN 25 Ca 0.15 -0.38 -0.04 0.00 1.21 0.00 0.00 56.30 57.25 2kdf h ASN 25 Cb 0.13 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 2kdf h ASN 25 CO -0.01 1.12 0.12 0.58 -1.29 0.00 0.00 177.43 177.94 2kdf h VAL 26 N 0.79 1.23 -0.62 2.81 2.07 -0.81 -1.95 116.25 119.77 2kdf h VAL 26 Ca 0.12 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2kdf h VAL 26 Cb 0.72 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2kdf h VAL 26 CO 0.06 0.27 0.41 0.11 0.02 0.00 0.00 177.57 178.44 2kdf h LYS 27 N 0.55 0.73 -0.46 1.57 1.57 -1.04 -1.06 116.57 118.44 2kdf h LYS 27 Ca 0.13 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2kdf h LYS 27 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2kdf h LYS 27 CO -0.00 0.48 -0.18 0.00 -0.57 0.00 0.00 179.45 179.18 2kdf h ALA 28 N 1.63 0.81 -0.25 3.86 0.00 -0.92 -1.31 119.26 123.09 2kdf h ALA 28 Ca 0.25 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kdf h ALA 28 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kdf h ALA 28 CO -0.06 0.65 0.14 0.87 0.00 0.00 0.00 179.25 180.85 2kdf h LYS 29 N 0.79 0.35 -0.32 0.00 1.57 -0.47 -1.97 116.57 116.52 2kdf h LYS 29 Ca 0.11 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2kdf h LYS 29 Cb 0.72 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2kdf h LYS 29 CO 0.06 0.29 -0.03 0.82 -0.57 0.00 0.00 179.45 180.02 2kdf h ILE 30 N 0.30 1.20 0.00 1.86 2.04 -1.23 -1.63 117.51 120.05 2kdf h ILE 30 Ca 0.09 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2kdf h ILE 30 Cb 0.04 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2kdf h ILE 30 CO -0.02 0.28 -0.11 -0.61 0.00 0.00 0.00 178.15 177.69 2kdf h GLN 31 N 0.48 0.00 0.00 2.37 -0.00 -0.55 0.29 115.11 117.69 2kdf h GLN 31 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.63 2kdf h GLN 31 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 2kdf h GLN 31 CO 0.01 0.11 -0.83 -0.44 0.00 0.00 0.00 178.83 177.69 2kdf h ASP 32 N 0.00 0.00 0.00 -0.69 3.32 -0.62 -1.58 116.42 116.85 2kdf h ASP 32 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2kdf h ASP 32 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2kdf h ASP 32 CO 0.01 0.49 -0.45 0.11 -1.72 0.00 0.00 179.24 177.69 2kdf h LYS 33 N 0.00 0.00 0.04 3.56 1.57 -0.72 -3.41 116.57 117.61 2kdf h LYS 33 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 2kdf h LYS 33 Cb 1.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.70 2kdf h LYS 33 CO 0.05 0.79 -1.73 0.39 -0.57 0.00 0.00 179.45 178.39 2kdf n GLU 34 N -4.58 0.64 0.00 3.15 -0.58 0.01 -5.02 120.64 114.26 2kdf n GLU 34 Ca -0.16 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2kdf n GLU 34 Cb 0.47 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2kdf n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kdf n GLY 35 N 1.65 1.94 3.80 0.62 0.00 -0.60 -5.05 105.19 107.55 2kdf n GLY 35 Ca -0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 4.85 0.46 -0.61 1.01 -1.24 -5.01 121.20 118.66 2kdf s ILE 36 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 2kdf s ILE 36 Cb 0.00 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 2kdf s ILE 36 CO 0.00 0.41 1.25 -2.16 0.00 0.00 0.00 174.94 174.44 2kdf s PRO 37 N -1.57 3.67 0.25 2.79 0.04 -1.26 -4.07 135.00 134.85 2kdf s PRO 37 Ca 0.21 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.31 2kdf s PRO 37 Cb -0.12 -2.47 0.30 0.00 0.04 0.00 0.00 34.50 32.25 2kdf s PRO 37 CO 0.12 -0.69 1.59 -1.00 0.04 0.00 0.00 177.00 177.06 2kdf h PRO 38 N 2.09 0.17 0.00 0.56 0.13 -1.92 -2.44 132.00 130.59 2kdf h PRO 38 Ca -0.50 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2kdf h PRO 38 Cb 1.26 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kdf h PRO 38 CO 0.60 0.71 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.61 2kdf h ASP 39 N 0.13 0.00 0.35 1.44 3.32 -1.96 -2.36 116.42 117.33 2kdf h ASP 39 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2kdf h ASP 39 Cb 1.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 2kdf h ASP 39 CO 0.09 0.03 -1.91 0.00 -1.72 0.00 0.00 179.24 175.73 2kdf n GLN 40 N -4.03 0.65 -1.93 3.56 6.02 -1.11 -4.84 117.38 115.71 2kdf n GLN 40 Ca -0.03 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 2kdf n GLN 40 Cb 0.12 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.57 4.20 -0.24 -1.09 -0.21 -0.89 0.28 119.66 119.15 2kdf s GLN 41 Ca -0.07 2.33 0.02 0.00 0.02 0.00 0.00 55.36 57.66 2kdf s GLN 41 Cb 0.07 -3.56 0.05 0.00 1.00 0.00 0.00 33.01 30.57 2kdf s GLN 41 CO 0.82 -0.72 -0.13 1.03 -2.12 0.00 0.00 175.29 174.17 2kdf s ARG 42 N 2.50 2.41 -0.26 2.91 0.52 -0.26 -4.91 118.95 121.86 2kdf s ARG 42 Ca 0.73 -1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2kdf s ARG 42 Cb -0.40 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2kdf s ARG 42 CO 0.32 -0.47 0.70 -0.51 0.02 0.00 0.00 175.30 175.36 2kdf s LEU 43 N 1.17 4.08 -0.06 2.53 1.43 -1.26 -0.85 118.68 125.71 2kdf s LEU 43 Ca -0.05 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 2kdf s LEU 43 Cb -0.18 -2.96 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 2kdf s LEU 43 CO -0.07 -0.45 -0.19 -0.63 0.23 0.00 0.00 176.35 175.23 2kdf s ILE 44 N 2.66 1.65 -0.01 -0.59 1.09 -0.08 -0.86 121.20 125.06 2kdf s ILE 44 Ca 0.29 -0.82 -0.02 0.00 -1.10 0.00 0.00 60.65 59.00 2kdf s ILE 44 Cb -0.15 -1.42 -0.00 0.00 -1.06 0.00 0.00 42.46 39.82 2kdf s ILE 44 CO 0.09 0.47 0.04 0.12 -0.10 0.00 0.00 174.94 175.56 2kdf s PHE 45 N 0.17 0.04 -1.21 3.97 2.19 -0.24 -0.89 117.98 122.02 2kdf s PHE 45 Ca -0.09 -0.08 -0.03 0.00 0.33 0.00 0.00 56.93 57.06 2kdf s PHE 45 Cb -0.14 -0.05 0.02 0.00 -1.31 0.00 0.00 43.02 41.54 2kdf s PHE 45 CO 0.04 -0.11 0.17 0.00 1.83 0.00 0.00 175.22 177.16 2kdf n ALA 46 N 2.42 -0.85 -2.97 11.12 0.00 -1.26 -1.08 120.51 127.88 2kdf n ALA 46 Ca -0.17 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 2kdf n ALA 46 Cb 0.58 -2.08 0.05 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.98 0.02 3.55 0.00 0.00 -1.26 -5.03 105.19 101.50 2kdf n GLY 47 Ca -0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.22 0.60 -0.03 1.61 1.02 -0.24 -5.13 119.74 112.35 2kdf s LYS 48 Ca 0.15 1.20 -0.30 0.00 0.02 0.00 0.00 55.97 57.04 2kdf s LYS 48 Cb -0.07 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2kdf s LYS 48 CO 0.43 -0.17 1.24 -1.14 -0.92 0.00 0.00 175.35 174.79 2kdf s GLN 49 N 1.98 4.35 0.31 1.68 0.74 -1.26 -1.08 119.66 126.39 2kdf s GLN 49 Ca -0.08 1.75 -0.27 0.00 0.05 0.00 0.00 55.36 56.80 2kdf s GLN 49 Cb -0.08 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.41 2kdf s GLN 49 CO -0.18 -0.45 1.03 -0.51 -0.55 0.00 0.00 175.29 174.63 2kdf s LEU 50 N 2.08 4.42 0.58 3.68 1.43 -0.04 -4.96 118.68 125.86 2kdf s LEU 50 Ca 0.58 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.60 2kdf s LEU 50 Cb -0.27 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 2kdf s LEU 50 CO 0.24 -0.17 1.02 -1.61 0.23 0.00 0.00 176.35 176.06 2kdf s GLU 51 N -1.80 3.61 0.27 1.70 0.41 -1.26 -4.78 118.70 116.85 2kdf s GLU 51 Ca 0.49 0.97 0.14 0.00 -0.41 0.00 0.00 54.97 56.15 2kdf s GLU 51 Cb -0.26 -2.08 0.18 0.00 -1.78 0.00 0.00 34.13 30.19 2kdf s GLU 51 CO 0.32 -0.56 1.49 -0.44 -0.49 0.00 0.00 175.26 175.59 2kdf h ASP 52 N 0.33 0.00 1.02 -0.19 5.19 -1.96 -3.23 116.42 117.58 2kdf h ASP 52 Ca -0.46 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.76 2kdf h ASP 52 Cb 1.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 2kdf h ASP 52 CO 0.60 0.57 -1.02 1.23 -3.12 0.00 0.00 179.24 177.50 2kdf h GLY 53 N 2.98 0.00 -1.08 2.75 0.00 -1.97 -3.05 103.07 102.70 2kdf h GLY 53 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kdf h GLY 53 CO 0.07 0.00 0.30 0.50 0.00 0.00 0.00 176.54 177.41 2kdf s ARG 54 N -2.77 1.75 0.06 4.80 1.81 -1.22 -4.78 118.95 118.60 2kdf s ARG 54 Ca 0.01 0.73 0.01 0.00 -1.72 0.00 0.00 55.73 54.75 2kdf s ARG 54 Cb 0.09 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.72 2kdf s ARG 54 CO 0.80 -1.88 0.05 0.25 -0.68 0.00 0.00 175.30 173.84 2kdf n THR 55 N -3.62 0.00 0.07 0.02 -2.24 -1.26 -1.12 114.28 106.13 2kdf n THR 55 Ca 0.07 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2kdf n THR 55 Cb 0.56 -0.48 -0.03 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 0.44 -1.15 3.22 3.38 -1.17 -3.22 115.31 116.81 2kdf h LEU 56 Ca -0.04 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2kdf h LEU 56 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kdf h LEU 56 CO 0.06 1.15 -0.33 0.77 0.09 0.00 0.00 178.44 180.18 2kdf h SER 57 N 0.19 0.17 -0.01 -0.43 4.64 -1.40 -0.84 113.55 115.86 2kdf h SER 57 Ca -0.07 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2kdf h SER 57 Cb 1.55 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2kdf h SER 57 CO 0.15 0.50 0.01 0.44 -0.87 0.00 0.00 176.83 177.06 2kdf h ASP 58 N 0.15 0.00 -0.45 4.97 5.19 -1.83 -1.36 116.42 123.08 2kdf h ASP 58 Ca 0.02 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.25 2kdf h ASP 58 Cb 0.66 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.07 2kdf h ASP 58 CO 0.05 0.00 0.08 -1.22 -3.12 0.00 0.00 179.24 175.03 2kdf n TYR 59 N -4.08 1.46 -1.98 4.55 4.01 -0.99 -4.92 117.16 115.21 2kdf n TYR 59 Ca -0.03 -1.37 -0.13 0.00 -0.16 0.00 0.00 57.90 56.21 2kdf n TYR 59 Cb 0.10 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 38.58 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 -0.83 -3.72 -4.55 7.72 3.02 -0.51 -4.84 115.26 111.54 2kdf n ASN 60 Ca 0.34 0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.76 2kdf n ASN 60 Cb 1.12 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.97 2kdf n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kdf s ILE 61 N -2.40 3.56 0.00 2.41 1.01 -0.36 -4.97 121.20 120.46 2kdf s ILE 61 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2kdf s ILE 61 Cb 0.00 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2kdf s ILE 61 CO 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 174.94 173.61 2kdf n GLN 62 N 9.13 0.47 -1.15 2.79 6.02 -1.26 -4.57 117.38 128.80 2kdf n GLN 62 Ca 0.22 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.90 2kdf n GLN 62 Cb 0.50 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.88 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 -2.28 1.72 -1.41 -1.09 -2.85 -1.26 -3.13 119.74 109.43 2kdf s LYS 63 Ca 0.00 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.08 2kdf s LYS 63 Cb 0.00 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2kdf s LYS 63 CO 0.00 -2.01 0.00 0.39 0.10 0.00 0.00 175.35 173.83 2kdf n GLU 64 N -3.76 -1.60 -2.75 1.78 1.02 0.33 -4.92 120.64 110.75 2kdf n GLU 64 Ca 0.09 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 2kdf n GLU 64 Cb 0.54 -5.18 -0.05 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 -2.15 7.52 -0.28 1.62 0.01 -1.18 -4.67 113.70 114.57 2kdf s SER 65 Ca 0.00 1.81 -0.16 0.00 1.31 0.00 0.00 55.95 58.91 2kdf s SER 65 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2kdf s SER 65 CO 0.00 -0.01 0.44 -0.89 0.41 0.00 0.00 173.24 173.19 2kdf s THR 66 N -0.29 5.12 -0.16 1.44 2.01 -1.25 -1.04 115.64 121.47 2kdf s THR 66 Ca 0.45 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 2kdf s THR 66 Cb -0.24 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2kdf s THR 66 CO 0.30 0.08 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.54 2kdf s LEU 67 N 2.19 3.40 -0.61 4.42 1.43 -0.02 -4.90 118.68 124.60 2kdf s LEU 67 Ca 0.18 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.94 2kdf s LEU 67 Cb -0.16 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2kdf s LEU 67 CO 0.10 0.18 1.16 -1.00 0.23 0.00 0.00 176.35 177.02 2kdf s HIS 68 N 0.31 2.57 0.42 0.29 3.76 -0.07 -0.91 115.29 121.67 2kdf s HIS 68 Ca -0.02 0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 54.96 2kdf s HIS 68 Cb -0.14 -4.46 -0.08 0.00 1.11 0.00 0.00 32.58 29.01 2kdf s HIS 68 CO 0.02 -1.65 0.86 -1.17 -0.85 0.00 0.00 174.74 171.95 2kdf s LEU 69 N 4.92 3.86 0.05 0.89 2.96 -0.25 -0.91 118.68 130.19 2kdf s LEU 69 Ca 0.39 1.41 -0.01 0.00 -0.22 0.00 0.00 54.13 55.69 2kdf s LEU 69 Cb -0.09 -4.28 -0.04 0.00 0.50 0.00 0.00 46.19 42.29 2kdf s LEU 69 CO 0.22 -0.39 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.15 2kdf s VAL 70 N -2.30 0.20 -0.41 1.68 1.01 -0.03 -4.32 120.40 116.23 2kdf s VAL 70 Ca 0.56 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.76 2kdf s VAL 70 Cb -0.10 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.98 2kdf s VAL 70 CO 0.24 -0.93 0.26 -0.76 0.00 0.00 0.00 175.10 173.91 2kdf s LEU 71 N -2.75 5.08 -0.12 3.92 1.43 -1.26 -1.11 118.68 123.87 2kdf s LEU 71 Ca 0.04 -1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 51.58 2kdf s LEU 71 Cb 0.06 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2kdf s LEU 71 CO -0.09 -0.51 0.69 -0.60 0.23 0.00 0.00 176.35 176.08 2kdf s ARG 72 N 1.49 4.35 -0.32 1.70 3.52 0.14 -5.01 118.95 124.83 2kdf s ARG 72 Ca 0.03 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.32 2kdf s ARG 72 Cb -0.22 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2kdf s ARG 72 CO 0.04 -0.07 0.23 -0.51 -0.81 0.00 0.00 175.30 174.18 2kdf s LEU 73 N 1.29 4.36 -0.07 -0.88 1.43 -1.26 -4.54 118.68 119.01 2kdf s LEU 73 Ca 0.35 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2kdf s LEU 73 Cb -0.17 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.93 2kdf s LEU 73 CO 0.15 -0.18 0.02 -0.60 0.23 0.00 0.00 176.35 175.96 2kdf s ARG 74 N 1.76 0.43 0.00 1.70 3.52 -1.26 -5.11 118.95 119.99 2kdf s ARG 74 Ca 0.07 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2kdf s ARG 74 Cb -0.17 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.29 2kdf s ARG 74 CO 0.11 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2kdf n GLY 75 N 5.18 4.12 0.00 8.12 0.00 -1.26 -5.13 105.19 116.22 2kdf n GLY 75 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93