#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 3.20 0.32 2.12 -0.21 -1.26 -0.78 119.66 123.05 2kdf s GLN 2 Ca 0.00 -0.59 0.07 0.00 0.02 0.00 0.00 55.36 54.86 2kdf s GLN 2 Cb 0.00 -4.15 -0.03 0.00 1.00 0.00 0.00 33.01 29.84 2kdf s GLN 2 CO 0.00 -1.65 0.31 0.96 -2.12 0.00 0.00 175.29 172.78 2kdf s ILE 3 N 3.97 3.79 -0.14 1.08 -4.36 -0.43 -0.52 121.20 124.58 2kdf s ILE 3 Ca 0.25 -1.31 -0.00 0.00 -0.26 0.00 0.00 60.65 59.33 2kdf s ILE 3 Cb -0.15 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 2kdf s ILE 3 CO 0.14 -0.20 -0.13 -0.36 0.24 0.00 0.00 174.94 174.63 2kdf s PHE 4 N -2.25 2.81 -0.31 1.37 0.08 -0.24 -0.85 117.98 118.59 2kdf s PHE 4 Ca 0.40 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 2kdf s PHE 4 Cb -0.07 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2kdf s PHE 4 CO 0.27 -0.30 0.01 0.08 -0.10 0.00 0.00 175.22 175.18 2kdf s VAL 5 N 0.55 3.10 0.39 -0.44 1.01 0.28 -0.86 120.40 124.42 2kdf s VAL 5 Ca -0.08 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.48 2kdf s VAL 5 Cb -0.16 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2kdf s VAL 5 CO 0.04 -0.12 0.70 -0.54 0.00 0.00 0.00 175.10 175.18 2kdf s LYS 6 N 1.27 3.64 0.00 2.72 1.02 -0.06 -0.76 119.74 127.58 2kdf s LYS 6 Ca -0.05 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2kdf s LYS 6 Cb -0.20 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2kdf s LYS 6 CO -0.01 -0.00 0.00 0.25 -0.92 0.00 0.00 175.35 174.67 2kdf n THR 7 N -1.52 0.00 -0.92 2.17 -2.24 -0.09 -1.08 114.28 110.59 2kdf n THR 7 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2kdf n THR 7 Cb 0.54 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.95 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 6.17 -1.13 3.22 4.77 -1.26 -4.15 117.00 124.62 2kdf n LEU 8 Ca 0.00 -3.28 0.03 0.00 -0.03 0.00 0.00 56.01 52.73 2kdf n LEU 8 Cb 0.00 -0.79 0.02 0.00 -2.33 0.00 0.00 43.42 40.32 2kdf n LEU 8 CO 0.00 0.95 0.14 0.35 -1.33 0.00 0.00 177.39 177.49 2kdf n THR 9 N -0.82 0.08 -3.30 -5.08 -2.24 -1.26 -4.98 114.28 96.68 2kdf n THR 9 Ca 0.50 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 61.33 2kdf n THR 9 Cb 1.49 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 70.57 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 0.27 -0.38 3.06 3.38 0.00 -1.26 -5.00 105.19 105.26 2kdf n GLY 10 Ca 0.04 0.11 -0.25 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 -5.98 1.80 0.13 1.61 2.20 -1.26 -5.00 119.74 113.24 2kdf s LYS 11 Ca 0.44 -0.48 0.10 0.00 -0.36 0.00 0.00 55.97 55.67 2kdf s LYS 11 Cb -0.19 -1.48 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 2kdf s LYS 11 CO 0.55 0.08 -0.23 0.99 -0.36 0.00 0.00 175.35 176.38 2kdf s THR 12 N 0.50 2.49 0.04 3.43 2.01 -1.26 -0.92 115.64 121.93 2kdf s THR 12 Ca -0.13 -1.68 0.07 0.00 0.31 0.00 0.00 61.69 60.27 2kdf s THR 12 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2kdf s THR 12 CO 0.04 0.08 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.21 2kdf s ILE 13 N -1.12 1.67 -0.61 1.82 1.01 0.06 -4.88 121.20 119.15 2kdf s ILE 13 Ca 0.16 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 2kdf s ILE 13 Cb -0.10 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 41.05 2kdf s ILE 13 CO 0.08 0.24 0.66 -0.89 0.00 0.00 0.00 174.94 175.03 2kdf s THR 14 N -0.76 5.01 -0.36 2.92 2.01 -1.26 -0.56 115.64 122.64 2kdf s THR 14 Ca 0.08 -1.30 -0.18 0.00 0.31 0.00 0.00 61.69 60.60 2kdf s THR 14 Cb -0.09 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 67.97 2kdf s THR 14 CO 0.01 -1.05 0.51 -0.76 -0.69 0.00 0.00 174.62 172.64 2kdf s LEU 15 N 2.13 4.41 -1.22 4.42 2.01 -0.03 -4.87 118.68 125.54 2kdf s LEU 15 Ca 0.10 -0.13 -0.16 0.00 0.01 0.00 0.00 54.13 53.95 2kdf s LEU 15 Cb -0.24 -2.56 0.13 0.00 0.01 0.00 0.00 46.19 43.52 2kdf s LEU 15 CO 0.03 -0.51 1.53 -0.70 1.01 0.00 0.00 176.35 177.72 2kdf s GLU 16 N 2.39 4.00 0.00 1.70 2.12 -1.26 -1.32 118.70 126.33 2kdf s GLU 16 Ca 0.18 -2.25 0.00 0.00 0.36 0.00 0.00 54.97 53.26 2kdf s GLU 16 Cb -0.16 -5.25 0.00 0.00 0.26 0.00 0.00 34.13 28.99 2kdf s GLU 16 CO 0.14 -1.97 0.00 1.33 -0.54 0.00 0.00 175.26 174.22 2kdf n VAL 17 N 5.43 0.00 -4.31 3.70 0.24 0.04 -4.68 118.33 118.75 2kdf n VAL 17 Ca 0.40 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.54 2kdf n VAL 17 Cb 0.45 -0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.19 1.34 0.00 7.34 2.02 -1.26 0.10 118.70 129.43 2kdf s GLU 18 Ca 0.00 -1.70 0.17 0.00 0.02 0.00 0.00 54.97 53.47 2kdf s GLU 18 Cb 0.00 -0.42 0.83 0.00 0.10 0.00 0.00 34.13 34.64 2kdf s GLU 18 CO 0.00 -0.19 1.53 -0.35 0.02 0.00 0.00 175.26 176.27 2kdf n PRO 19 N -0.42 0.16 -0.65 0.39 -0.04 -1.26 -2.69 135.00 130.48 2kdf n PRO 19 Ca -0.03 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2kdf n PRO 19 Cb 0.65 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.37 2.97 -4.87 3.54 3.41 -1.26 -1.29 113.62 114.76 2kdf n SER 20 Ca 0.07 -3.48 -0.35 0.00 -0.26 0.00 0.00 58.87 54.84 2kdf n SER 20 Cb 0.16 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.33 6.57 0.47 4.04 1.01 -1.10 -4.89 116.67 120.45 2kdf s ASP 21 Ca 0.43 0.67 -0.18 0.00 0.71 0.00 0.00 52.55 54.18 2kdf s ASP 21 Cb 0.38 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 42.08 2kdf s ASP 21 CO 0.03 0.25 0.96 0.42 0.21 0.00 0.00 175.17 177.05 2kdf s THR 22 N -1.27 4.47 0.35 -1.27 -4.23 -1.26 -1.29 115.64 111.13 2kdf s THR 22 Ca 0.27 1.33 0.03 0.00 -1.18 0.00 0.00 61.69 62.14 2kdf s THR 22 Cb -0.14 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.31 2kdf s THR 22 CO 0.15 -0.52 1.99 0.40 -0.54 0.00 0.00 174.62 176.11 2kdf h ILE 23 N 1.38 1.13 -0.82 2.99 1.08 -1.16 -1.05 117.51 121.05 2kdf h ILE 23 Ca -0.48 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2kdf h ILE 23 Cb 1.18 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 2kdf h ILE 23 CO 0.61 0.16 0.46 -0.08 -0.69 0.00 0.00 178.15 178.61 2kdf h GLU 24 N 0.87 1.14 -0.69 2.37 4.81 -1.77 -0.91 114.58 120.41 2kdf h GLU 24 Ca 0.26 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2kdf h GLU 24 Cb -0.02 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2kdf h GLU 24 CO -0.07 0.83 0.13 -0.91 -0.73 0.00 0.00 179.01 178.26 2kdf h ASN 25 N 1.15 1.08 -0.58 1.04 4.21 -1.51 -2.11 115.58 118.85 2kdf h ASN 25 Ca 0.29 -0.25 -0.04 0.00 1.21 0.00 0.00 56.30 57.52 2kdf h ASN 25 Cb 0.01 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 36.90 2kdf h ASN 25 CO -0.05 1.05 0.23 0.58 -1.29 0.00 0.00 177.43 177.95 2kdf h VAL 26 N 1.06 1.23 -0.70 2.81 2.07 -0.72 -1.95 116.25 120.04 2kdf h VAL 26 Ca 0.21 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2kdf h VAL 26 Cb 0.42 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2kdf h VAL 26 CO 0.01 0.28 0.46 0.11 0.02 0.00 0.00 177.57 178.45 2kdf h LYS 27 N 0.81 0.86 -0.49 1.57 1.57 -0.86 -0.89 116.57 119.14 2kdf h LYS 27 Ca 0.19 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2kdf h LYS 27 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kdf h LYS 27 CO -0.01 0.57 -0.06 0.00 -0.57 0.00 0.00 179.45 179.38 2kdf h ALA 28 N 1.58 0.98 -0.42 3.86 0.00 -0.75 -1.43 119.26 123.08 2kdf h ALA 28 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kdf h ALA 28 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kdf h ALA 28 CO -0.07 0.61 0.19 0.87 0.00 0.00 0.00 179.25 180.85 2kdf h LYS 29 N 0.78 0.61 -0.18 0.00 1.57 -0.47 -1.89 116.57 117.00 2kdf h LYS 29 Ca 0.14 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2kdf h LYS 29 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2kdf h LYS 29 CO 0.03 0.54 -0.12 0.82 -0.57 0.00 0.00 179.45 180.15 2kdf h ILE 30 N 0.53 1.19 0.00 1.86 2.04 -1.12 -1.59 117.51 120.42 2kdf h ILE 30 Ca 0.14 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 2kdf h ILE 30 Cb 0.14 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2kdf h ILE 30 CO -0.02 0.26 -0.28 -0.61 0.00 0.00 0.00 178.15 177.50 2kdf h GLN 31 N 0.27 0.00 0.00 2.37 -0.00 -0.52 0.21 115.11 117.44 2kdf h GLN 31 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.53 2kdf h GLN 31 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 2kdf h GLN 31 CO 0.02 0.28 -0.86 0.22 0.00 0.00 0.00 178.83 178.50 2kdf h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -0.56 -2.14 116.42 116.61 2kdf h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kdf h ASP 32 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kdf h ASP 32 CO 0.04 0.83 -0.17 0.11 -2.88 0.00 0.00 179.24 177.16 2kdf h LYS 33 N 0.00 0.00 -0.01 0.28 6.56 -0.94 -3.41 116.57 119.05 2kdf h LYS 33 Ca -0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 2kdf h LYS 33 Cb 1.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.31 2kdf h LYS 33 CO 0.11 0.00 -0.07 0.93 -2.06 0.00 0.00 179.45 178.36 2kdf h GLU 34 N -0.60 0.07 0.00 3.15 4.39 -1.16 -3.48 114.58 116.94 2kdf h GLU 34 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kdf h GLU 34 Cb 0.17 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kdf h GLU 34 CO 0.00 0.72 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 2kdf n GLY 35 N 0.71 1.95 3.67 -3.84 0.00 -0.80 -5.04 105.19 101.84 2kdf n GLY 35 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 4.12 0.49 -0.61 1.01 -1.24 -5.01 121.20 117.95 2kdf s ILE 36 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 2kdf s ILE 36 Cb 0.00 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 2kdf s ILE 36 CO 0.00 0.40 1.22 -2.16 0.00 0.00 0.00 174.94 174.40 2kdf s PRO 37 N -1.48 3.57 0.21 2.79 0.04 -1.26 -3.97 135.00 134.89 2kdf s PRO 37 Ca 0.19 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 2kdf s PRO 37 Cb -0.11 -2.35 0.16 0.00 0.04 0.00 0.00 34.50 32.23 2kdf s PRO 37 CO 0.09 -0.75 1.54 -1.00 0.04 0.00 0.00 177.00 176.92 2kdf h PRO 38 N 1.86 0.51 -0.05 0.56 0.13 -1.95 -2.87 132.00 130.19 2kdf h PRO 38 Ca -0.50 -0.30 0.01 0.00 -0.87 0.00 0.00 66.00 64.34 2kdf h PRO 38 Cb 1.26 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kdf h PRO 38 CO 0.59 0.90 0.08 -0.44 -0.23 0.00 0.00 178.00 178.91 2kdf h ASP 39 N 0.39 0.00 -0.58 1.44 5.19 -1.96 -0.02 116.42 120.88 2kdf h ASP 39 Ca 0.01 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.23 2kdf h ASP 39 Cb 1.04 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.44 2kdf h ASP 39 CO 0.10 0.00 0.17 0.00 -3.12 0.00 0.00 179.24 176.39 2kdf n GLN 40 N -3.50 3.02 -4.31 3.56 1.13 -1.08 -4.89 117.38 111.30 2kdf n GLN 40 Ca -0.02 -3.05 -0.16 0.00 -1.94 0.00 0.00 57.00 51.82 2kdf n GLN 40 Cb 0.17 -2.05 -0.10 0.00 0.11 0.00 0.00 30.24 28.37 2kdf n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2kdf s GLN 41 N -3.05 1.28 0.15 -1.09 -0.21 -0.02 -1.68 119.66 115.04 2kdf s GLN 41 Ca 0.50 -1.63 -0.16 0.00 0.02 0.00 0.00 55.36 54.09 2kdf s GLN 41 Cb 0.42 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.87 2kdf s GLN 41 CO 0.09 -0.08 0.43 1.03 -2.12 0.00 0.00 175.29 174.65 2kdf s ARG 42 N -3.85 1.15 -0.17 2.91 0.52 -0.26 -4.82 118.95 114.43 2kdf s ARG 42 Ca 0.26 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2kdf s ARG 42 Cb 0.05 0.48 0.03 0.00 0.52 0.00 0.00 34.95 36.04 2kdf s ARG 42 CO 0.07 -0.46 -0.12 -0.51 0.02 0.00 0.00 175.30 174.30 2kdf s LEU 43 N -2.83 1.95 0.01 2.53 1.43 -1.26 -0.85 118.68 119.66 2kdf s LEU 43 Ca 0.05 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2kdf s LEU 43 Cb 0.01 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2kdf s LEU 43 CO -0.09 -0.10 -0.04 -0.63 0.23 0.00 0.00 176.35 175.71 2kdf s ILE 44 N 1.45 3.80 -0.18 -0.59 -1.09 0.03 -1.06 121.20 123.55 2kdf s ILE 44 Ca 0.02 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.51 2kdf s ILE 44 Cb -0.14 -2.68 0.05 0.00 -1.58 0.00 0.00 42.46 38.10 2kdf s ILE 44 CO -0.10 0.35 0.49 0.12 -1.23 0.00 0.00 174.94 174.57 2kdf s PHE 45 N -1.06 -0.56 -1.48 3.97 2.19 -0.22 -0.89 117.98 119.93 2kdf s PHE 45 Ca 0.19 1.33 -0.12 0.00 0.33 0.00 0.00 56.93 58.66 2kdf s PHE 45 Cb -0.11 0.20 0.08 0.00 -1.31 0.00 0.00 43.02 41.88 2kdf s PHE 45 CO 0.09 -0.27 0.78 0.00 1.83 0.00 0.00 175.22 177.65 2kdf n ALA 46 N 3.00 -1.17 -3.48 11.12 0.00 -1.26 -0.83 120.51 127.89 2kdf n ALA 46 Ca -0.15 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2kdf n ALA 46 Cb 0.57 -3.84 0.07 0.00 0.00 0.00 0.00 19.45 16.25 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 -1.49 -0.39 3.10 0.00 0.00 -1.26 -5.00 105.19 100.15 2kdf n GLY 47 Ca 0.01 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.13 0.30 0.03 1.61 1.02 -0.01 -5.14 119.74 111.42 2kdf s LYS 48 Ca 0.50 0.16 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 2kdf s LYS 48 Cb -0.22 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 2kdf s LYS 48 CO 0.66 -0.05 0.90 -1.14 -0.92 0.00 0.00 175.35 174.80 2kdf s GLN 49 N -0.20 4.58 0.02 1.68 0.74 -1.26 -1.06 119.66 124.16 2kdf s GLN 49 Ca -0.03 1.30 -0.19 0.00 0.05 0.00 0.00 55.36 56.50 2kdf s GLN 49 Cb -0.03 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.61 2kdf s GLN 49 CO 0.01 0.09 0.54 -0.51 -0.55 0.00 0.00 175.29 174.87 2kdf s LEU 50 N 0.52 4.46 0.58 3.68 1.43 -0.23 -4.95 118.68 124.17 2kdf s LEU 50 Ca 0.47 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.56 2kdf s LEU 50 Cb -0.21 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2kdf s LEU 50 CO 0.26 0.21 1.02 -1.61 0.23 0.00 0.00 176.35 176.46 2kdf s GLU 51 N -0.66 3.57 0.27 1.70 2.02 -1.26 -4.65 118.70 119.70 2kdf s GLU 51 Ca 0.28 0.97 0.14 0.00 0.02 0.00 0.00 54.97 56.38 2kdf s GLU 51 Cb -0.18 -2.08 0.22 0.00 0.10 0.00 0.00 34.13 32.19 2kdf s GLU 51 CO 0.17 -0.59 1.51 -0.44 0.02 0.00 0.00 175.26 175.93 2kdf h ASP 52 N 0.29 0.00 0.60 -0.19 5.19 -1.97 -3.25 116.42 117.09 2kdf h ASP 52 Ca -0.46 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.67 2kdf h ASP 52 Cb 1.20 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 2kdf h ASP 52 CO 0.60 0.58 -1.34 1.23 -3.12 0.00 0.00 179.24 177.19 2kdf h GLY 53 N 2.80 0.26 -1.23 2.75 0.00 -1.97 -2.87 103.07 102.81 2kdf h GLY 53 Ca -0.01 -0.66 -0.50 0.00 0.00 0.00 0.00 47.33 46.16 2kdf h GLY 53 CO 0.08 0.58 0.22 0.50 0.00 0.00 0.00 176.54 177.92 2kdf s ARG 54 N -2.64 1.09 0.00 4.80 1.81 -1.23 -4.70 118.95 118.08 2kdf s ARG 54 Ca -0.05 1.23 0.00 0.00 -1.72 0.00 0.00 55.73 55.19 2kdf s ARG 54 Cb 0.07 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.81 2kdf s ARG 54 CO 0.86 -2.48 0.00 0.25 -0.68 0.00 0.00 175.30 173.26 2kdf n THR 55 N -4.10 0.00 0.10 0.02 -2.24 -1.26 -1.12 114.28 105.68 2kdf n THR 55 Ca 0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 2kdf n THR 55 Cb 0.53 -0.57 -0.04 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 -0.63 3.22 3.38 -1.31 -3.26 115.31 116.71 2kdf h LEU 56 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 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 0.75 -0.68 0.77 0.09 0.00 0.00 178.44 179.37 2kdf h SER 57 N 0.00 0.01 0.06 -0.43 4.64 -1.46 -2.16 113.55 114.21 2kdf h SER 57 Ca -0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2kdf h SER 57 Cb 1.56 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2kdf h SER 57 CO 0.10 0.69 -0.03 0.44 -0.87 0.00 0.00 176.83 177.16 2kdf h ASP 58 N 0.01 0.00 -0.59 4.97 5.19 -1.83 -1.34 116.42 122.83 2kdf h ASP 58 Ca -0.01 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.22 2kdf h ASP 58 Cb 1.21 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.61 2kdf h ASP 58 CO 0.09 0.03 0.17 -1.22 -3.12 0.00 0.00 179.24 175.19 2kdf n TYR 59 N -3.96 1.94 -2.47 4.55 4.01 -1.15 -4.92 117.16 115.16 2kdf n TYR 59 Ca -0.03 -1.23 -0.12 0.00 -0.16 0.00 0.00 57.90 56.35 2kdf n TYR 59 Cb 0.11 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.55 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 -0.44 -3.85 -4.74 7.72 2.85 -0.51 -4.91 115.26 111.38 2kdf n ASN 60 Ca 0.37 0.18 -0.41 0.00 -0.11 0.00 0.00 54.58 54.61 2kdf n ASN 60 Cb 1.24 -3.27 -0.05 0.00 1.24 0.00 0.00 39.78 38.94 2kdf n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kdf s ILE 61 N -2.61 4.10 0.00 -1.44 1.01 -0.83 -5.04 121.20 116.39 2kdf s ILE 61 Ca 0.01 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.53 2kdf s ILE 61 Cb -0.01 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2kdf s ILE 61 CO 0.01 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.30 2kdf n GLN 62 N 2.21 2.43 -1.48 2.79 6.02 -1.26 -4.65 117.38 123.44 2kdf n GLN 62 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 2kdf n GLN 62 Cb 0.47 0.00 0.06 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 -1.29 2.67 -1.32 -1.09 -2.85 -1.26 -3.34 119.74 111.26 2kdf s LYS 63 Ca 0.00 1.08 0.00 0.00 -1.00 0.00 0.00 55.97 56.05 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 -1.31 0.00 0.39 0.10 0.00 0.00 175.35 174.53 2kdf n GLU 64 N -3.19 -1.78 -2.89 1.78 1.02 0.32 -4.92 120.64 110.99 2kdf n GLU 64 Ca 0.08 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.57 2kdf n GLU 64 Cb 0.53 -5.21 -0.06 0.00 -0.02 0.00 0.00 31.44 26.69 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 -2.10 7.46 -0.31 1.62 0.01 -1.21 -4.62 113.70 114.55 2kdf s SER 65 Ca 0.00 1.73 -0.18 0.00 1.31 0.00 0.00 55.95 58.81 2kdf s SER 65 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2kdf s SER 65 CO 0.00 0.15 0.53 -0.89 0.41 0.00 0.00 173.24 173.43 2kdf s THR 66 N -0.92 5.03 0.21 1.44 2.01 -1.25 -1.08 115.64 121.08 2kdf s THR 66 Ca 0.39 0.64 0.07 0.00 0.31 0.00 0.00 61.69 63.09 2kdf s THR 66 Cb -0.24 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2kdf s THR 66 CO 0.28 -0.08 0.11 -0.76 -0.69 0.00 0.00 174.62 173.48 2kdf s LEU 67 N 2.39 3.62 -0.48 4.42 1.43 -0.04 -4.92 118.68 125.09 2kdf s LEU 67 Ca 0.21 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2kdf s LEU 67 Cb -0.15 -2.19 0.12 0.00 0.03 0.00 0.00 46.19 43.99 2kdf s LEU 67 CO 0.11 0.02 0.37 -1.00 0.23 0.00 0.00 176.35 176.09 2kdf s HIS 68 N -1.98 3.40 0.10 0.29 3.76 -0.07 -0.88 115.29 119.91 2kdf s HIS 68 Ca 0.31 -1.79 -0.30 0.00 -0.15 0.00 0.00 55.06 53.13 2kdf s HIS 68 Cb -0.09 -3.55 -0.06 0.00 1.11 0.00 0.00 32.58 29.99 2kdf s HIS 68 CO 0.22 -1.00 1.12 -1.17 -0.85 0.00 0.00 174.74 173.06 2kdf s LEU 69 N 1.39 4.42 0.23 0.89 2.96 -0.25 -0.79 118.68 127.54 2kdf s LEU 69 Ca 0.05 1.99 0.09 0.00 -0.22 0.00 0.00 54.13 56.05 2kdf s LEU 69 Cb -0.27 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 2kdf s LEU 69 CO -0.00 -0.32 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.96 2kdf s VAL 70 N 0.47 3.28 -0.20 1.68 1.01 -0.03 -4.46 120.40 122.15 2kdf s VAL 70 Ca 0.53 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.67 2kdf s VAL 70 Cb -0.28 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2kdf s VAL 70 CO 0.31 -0.27 -0.05 -0.76 0.00 0.00 0.00 175.10 174.33 2kdf s LEU 71 N -3.32 2.11 0.70 3.92 1.43 -1.26 -1.10 118.68 121.15 2kdf s LEU 71 Ca 0.29 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.36 2kdf s LEU 71 Cb -0.07 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.14 2kdf s LEU 71 CO 0.18 -0.21 1.02 -0.60 0.23 0.00 0.00 176.35 176.97 2kdf s ARG 72 N 1.51 2.39 -0.19 1.70 3.52 -0.68 -4.97 118.95 122.23 2kdf s ARG 72 Ca -0.03 -0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.38 2kdf s ARG 72 Cb -0.17 -2.14 0.06 0.00 -1.56 0.00 0.00 34.95 31.13 2kdf s ARG 72 CO -0.07 -1.15 0.46 -1.17 -0.81 0.00 0.00 175.30 172.56 2kdf s LEU 73 N -5.25 -0.15 -0.47 -0.88 2.96 -1.26 -4.82 118.68 108.82 2kdf s LEU 73 Ca 0.59 0.99 0.06 0.00 -0.22 0.00 0.00 54.13 55.55 2kdf s LEU 73 Cb -0.11 1.55 0.19 0.00 0.50 0.00 0.00 46.19 48.32 2kdf s LEU 73 CO 0.46 -0.19 0.57 0.54 -1.32 0.00 0.00 176.35 176.41 2kdf n ARG 74 N 3.94 0.40 -1.48 1.98 1.74 -1.26 -4.97 116.66 117.02 2kdf n ARG 74 Ca -0.21 -2.52 -0.01 0.00 -0.77 0.00 0.00 57.85 54.34 2kdf n ARG 74 Cb 0.56 -1.55 0.09 0.00 -1.02 0.00 0.00 32.46 30.55 2kdf n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kdf n GLY 75 N 2.82 3.64 0.00 -0.13 0.00 -1.26 -5.25 105.19 105.01 2kdf n GLY 75 Ca 0.23 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93