#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 3.14 0.34 2.12 -0.21 -1.26 -0.22 119.66 123.57 2kdf s GLN 2 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 55.36 54.58 2kdf s GLN 2 Cb 0.00 -4.17 -0.02 0.00 1.00 0.00 0.00 33.01 29.82 2kdf s GLN 2 CO 0.00 -1.53 0.39 0.96 -2.12 0.00 0.00 175.29 172.99 2kdf s ILE 3 N 3.30 3.71 -0.12 1.08 -4.36 -0.41 -0.52 121.20 123.88 2kdf s ILE 3 Ca 0.19 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 2kdf s ILE 3 Cb -0.19 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.25 2kdf s ILE 3 CO 0.11 -0.15 -0.18 -0.36 0.24 0.00 0.00 174.94 174.60 2kdf s PHE 4 N -2.26 2.71 -0.38 1.37 0.08 -0.20 -0.88 117.98 118.43 2kdf s PHE 4 Ca 0.44 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.57 2kdf s PHE 4 Cb -0.07 -1.80 0.06 0.00 -0.57 0.00 0.00 43.02 40.64 2kdf s PHE 4 CO 0.29 -0.32 0.17 0.08 -0.10 0.00 0.00 175.22 175.35 2kdf s VAL 5 N 0.39 3.90 0.28 -0.44 1.01 0.82 -0.82 120.40 125.54 2kdf s VAL 5 Ca -0.14 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.38 2kdf s VAL 5 Cb -0.17 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 2kdf s VAL 5 CO 0.06 -0.36 0.67 -0.75 0.00 0.00 0.00 175.10 174.72 2kdf s LYS 6 N 1.38 3.94 0.00 2.72 2.20 -0.11 -0.77 119.74 129.11 2kdf s LYS 6 Ca 0.01 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2kdf s LYS 6 Cb -0.21 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 2kdf s LYS 6 CO 0.02 0.23 0.00 0.25 -0.36 0.00 0.00 175.35 175.48 2kdf n THR 7 N -0.22 0.00 -0.00 3.43 -2.24 -0.11 -1.03 114.28 114.11 2kdf n THR 7 Ca 0.02 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 2kdf n THR 7 Cb 0.53 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.87 0.18 3.22 4.77 -1.26 -3.98 117.00 120.80 2kdf n LEU 8 Ca 0.00 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.41 2kdf n LEU 8 Cb 0.00 0.14 0.34 0.00 -2.33 0.00 0.00 43.42 41.57 2kdf n LEU 8 CO 0.00 0.31 0.68 0.71 -1.33 0.00 0.00 177.39 177.76 2kdf h THR 9 N 0.00 1.16 0.00 -5.08 1.35 -1.96 -3.46 112.91 104.91 2kdf h THR 9 Ca -0.25 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2kdf h THR 9 Cb 1.87 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 2kdf h THR 9 CO 0.07 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2kdf n GLY 10 N -0.16 1.25 3.04 5.82 0.00 -1.26 -5.14 105.19 108.75 2kdf n GLY 10 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 1.40 0.25 1.61 2.20 -1.26 -4.96 119.74 118.94 2kdf s LYS 11 Ca 0.00 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 2kdf s LYS 11 Cb 0.00 -1.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.06 2kdf s LYS 11 CO 0.00 0.12 0.11 0.99 -0.36 0.00 0.00 175.35 176.21 2kdf s THR 12 N 0.30 4.06 0.02 3.43 2.01 -1.26 -0.93 115.64 123.26 2kdf s THR 12 Ca -0.07 -1.57 0.03 0.00 0.31 0.00 0.00 61.69 60.39 2kdf s THR 12 Cb -0.12 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2kdf s THR 12 CO 0.02 -0.33 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.90 2kdf s ILE 13 N -2.16 0.64 -0.36 1.82 1.01 0.06 -4.89 121.20 117.32 2kdf s ILE 13 Ca 0.32 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 2kdf s ILE 13 Cb -0.08 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 2kdf s ILE 13 CO 0.23 -0.02 0.40 -0.89 0.00 0.00 0.00 174.94 174.66 2kdf s THR 14 N -0.61 5.13 -0.25 2.92 2.01 -1.26 -0.13 115.64 123.45 2kdf s THR 14 Ca -0.01 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 2kdf s THR 14 Cb -0.06 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.58 2kdf s THR 14 CO 0.00 -0.19 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.95 2kdf s LEU 15 N 2.09 3.26 -1.03 4.42 1.02 -0.06 -4.94 118.68 123.44 2kdf s LEU 15 Ca 0.13 -0.75 -0.20 0.00 0.02 0.00 0.00 54.13 53.33 2kdf s LEU 15 Cb -0.17 -1.72 0.10 0.00 0.02 0.00 0.00 46.19 44.42 2kdf s LEU 15 CO 0.12 -0.12 1.34 -0.70 0.02 0.00 0.00 176.35 177.01 2kdf s GLU 16 N 1.39 3.68 0.00 1.70 2.12 -1.26 -1.29 118.70 125.04 2kdf s GLU 16 Ca 0.02 -1.61 0.00 0.00 0.36 0.00 0.00 54.97 53.73 2kdf s GLU 16 Cb -0.16 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.07 2kdf s GLU 16 CO -0.03 -1.99 0.00 1.33 -0.54 0.00 0.00 175.26 174.03 2kdf n VAL 17 N 6.04 0.00 -4.32 3.70 0.24 0.69 -4.75 118.33 119.94 2kdf n VAL 17 Ca 0.31 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.45 2kdf n VAL 17 Cb 0.49 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.33 1.35 0.47 7.34 2.02 -1.26 0.10 118.70 129.04 2kdf s GLU 18 Ca 0.00 -1.70 0.26 0.00 0.02 0.00 0.00 54.97 53.54 2kdf s GLU 18 Cb 0.00 -0.41 1.07 0.00 0.10 0.00 0.00 34.13 34.90 2kdf s GLU 18 CO 0.00 -0.20 1.89 -1.00 0.02 0.00 0.00 175.26 175.97 2kdf h PRO 19 N 2.45 0.00 -0.73 0.39 0.13 -1.96 -2.69 132.00 129.59 2kdf h PRO 19 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2kdf h PRO 19 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kdf h PRO 19 CO 0.63 0.19 0.02 0.43 -0.23 0.00 0.00 178.00 179.03 2kdf n SER 20 N -3.41 4.14 -4.84 1.44 7.64 -1.26 -1.29 113.62 116.04 2kdf n SER 20 Ca -0.00 -2.64 -0.37 0.00 1.01 0.00 0.00 58.87 56.87 2kdf n SER 20 Cb 0.38 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.52 6.85 0.48 6.43 1.11 -1.01 -4.90 116.67 125.11 2kdf s ASP 21 Ca 0.36 1.04 -0.16 0.00 0.18 0.00 0.00 52.55 53.98 2kdf s ASP 21 Cb 0.28 -2.28 -0.08 0.00 1.07 0.00 0.00 42.92 41.91 2kdf s ASP 21 CO 0.10 0.23 0.94 0.42 1.18 0.00 0.00 175.17 178.04 2kdf s THR 22 N -1.24 4.57 0.30 -1.27 -4.23 -1.26 -1.24 115.64 111.27 2kdf s THR 22 Ca 0.30 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.91 2kdf s THR 22 Cb -0.16 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.23 2kdf s THR 22 CO 0.17 -0.62 1.96 0.40 -0.54 0.00 0.00 174.62 175.99 2kdf h ILE 23 N 1.04 1.19 -0.53 2.99 1.08 -1.21 -0.81 117.51 121.26 2kdf h ILE 23 Ca -0.47 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.60 2kdf h ILE 23 Cb 1.18 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 2kdf h ILE 23 CO 0.62 0.20 0.26 -0.08 -0.69 0.00 0.00 178.15 178.47 2kdf h GLU 24 N 1.11 0.73 -0.61 2.37 4.81 -1.76 -1.00 114.58 120.24 2kdf h GLU 24 Ca 0.32 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2kdf h GLU 24 Cb -0.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2kdf h GLU 24 CO -0.08 0.56 0.00 -0.91 -0.73 0.00 0.00 179.01 177.85 2kdf h ASN 25 N 0.74 1.05 -0.56 1.04 2.35 -1.46 -2.07 115.58 116.67 2kdf h ASN 25 Ca 0.19 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 2kdf h ASN 25 Cb 0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2kdf h ASN 25 CO -0.03 1.10 0.16 0.58 -1.65 0.00 0.00 177.43 177.59 2kdf h VAL 26 N 0.98 1.24 -0.55 2.81 2.07 -0.72 -1.89 116.25 120.19 2kdf h VAL 26 Ca 0.17 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2kdf h VAL 26 Cb 0.56 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2kdf h VAL 26 CO 0.03 0.31 0.36 0.11 0.02 0.00 0.00 177.57 178.40 2kdf h LYS 27 N 0.78 0.67 -0.32 1.57 1.57 -0.94 -0.70 116.57 119.19 2kdf h LYS 27 Ca 0.18 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2kdf h LYS 27 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2kdf h LYS 27 CO -0.00 0.44 -0.30 0.00 -0.57 0.00 0.00 179.45 179.02 2kdf h ALA 28 N 1.67 0.87 -0.22 3.86 0.00 -0.78 -1.38 119.26 123.29 2kdf h ALA 28 Ca 0.21 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kdf h ALA 28 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kdf h ALA 28 CO -0.05 0.63 0.12 0.87 0.00 0.00 0.00 179.25 180.82 2kdf h LYS 29 N 0.58 0.30 -0.20 0.00 1.57 -0.39 -1.95 116.57 116.49 2kdf h LYS 29 Ca 0.07 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2kdf h LYS 29 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2kdf h LYS 29 CO 0.07 0.29 -0.16 0.82 -0.57 0.00 0.00 179.45 179.89 2kdf h ILE 30 N 0.24 1.22 0.00 1.86 2.04 -1.25 -1.81 117.51 119.80 2kdf h ILE 30 Ca 0.08 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 2kdf h ILE 30 Cb 0.07 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2kdf h ILE 30 CO -0.01 0.30 -0.13 -0.61 0.00 0.00 0.00 178.15 177.70 2kdf h GLN 31 N 0.31 0.00 0.00 2.37 -0.00 -0.57 0.31 115.11 117.52 2kdf h GLN 31 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.55 2kdf h GLN 31 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.93 2kdf h GLN 31 CO 0.03 0.13 -1.10 0.22 0.00 0.00 0.00 178.83 178.12 2kdf h ASP 32 N 0.00 0.00 0.00 -0.69 1.82 -0.63 -1.82 116.42 115.10 2kdf h ASP 32 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 2kdf h ASP 32 Cb 0.25 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2kdf h ASP 32 CO 0.02 0.63 -0.33 0.11 -1.61 0.00 0.00 179.24 178.05 2kdf h LYS 33 N 0.00 0.00 0.06 0.28 1.57 -0.78 -3.41 116.57 114.28 2kdf h LYS 33 Ca -0.10 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.40 2kdf h LYS 33 Cb 1.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 2kdf h LYS 33 CO 0.06 0.76 -1.49 0.93 -0.57 0.00 0.00 179.45 179.14 2kdf h GLU 34 N -1.00 0.12 0.00 3.15 4.39 -1.14 -3.49 114.58 116.60 2kdf h GLU 34 Ca -0.08 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2kdf h GLU 34 Cb 0.87 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2kdf h GLU 34 CO -0.05 1.10 0.00 0.41 -1.16 0.00 0.00 179.01 179.31 2kdf n GLY 35 N 1.65 1.91 3.76 -3.84 0.00 -0.68 -5.05 105.19 102.94 2kdf n GLY 35 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 4.63 0.47 -0.61 1.01 -1.23 -5.01 121.20 118.46 2kdf s ILE 36 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 2kdf s ILE 36 Cb 0.00 -3.08 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 2kdf s ILE 36 CO 0.00 0.40 1.26 -2.16 0.00 0.00 0.00 174.94 174.44 2kdf s PRO 37 N -1.56 3.64 0.26 2.79 0.04 -1.26 -4.04 135.00 134.87 2kdf s PRO 37 Ca 0.21 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2kdf s PRO 37 Cb -0.12 -2.47 0.32 0.00 0.04 0.00 0.00 34.50 32.28 2kdf s PRO 37 CO 0.11 -0.72 1.62 -1.00 0.04 0.00 0.00 177.00 177.05 2kdf h PRO 38 N 2.06 0.30 0.00 0.56 0.13 -1.96 -2.78 132.00 130.31 2kdf h PRO 38 Ca -0.50 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2kdf h PRO 38 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kdf h PRO 38 CO 0.60 0.73 -0.01 0.22 -0.23 0.00 0.00 178.00 179.31 2kdf h ASP 39 N 0.24 0.00 -0.71 1.44 1.82 -1.96 -0.77 116.42 116.48 2kdf h ASP 39 Ca 0.01 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.37 2kdf h ASP 39 Cb 0.96 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.80 2kdf h ASP 39 CO 0.08 0.01 0.31 0.00 -1.61 0.00 0.00 179.24 178.02 2kdf n GLN 40 N -3.74 2.90 -4.35 0.28 6.02 -1.05 -4.89 117.38 112.55 2kdf n GLN 40 Ca -0.03 -3.07 -0.23 0.00 -0.01 0.00 0.00 57.00 53.66 2kdf n GLN 40 Cb 0.09 -2.11 -0.11 0.00 1.02 0.00 0.00 30.24 29.12 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 -3.12 1.32 0.00 -1.09 -0.21 -0.30 -2.24 119.66 114.02 2kdf s GLN 41 Ca 0.53 -1.42 -0.03 0.00 0.02 0.00 0.00 55.36 54.46 2kdf s GLN 41 Cb 0.44 -1.45 -0.01 0.00 1.00 0.00 0.00 33.01 32.99 2kdf s GLN 41 CO 0.10 0.30 0.05 1.03 -2.12 0.00 0.00 175.29 174.65 2kdf s ARG 42 N -2.72 0.28 -0.27 2.91 0.52 -0.25 -4.85 118.95 114.57 2kdf s ARG 42 Ca 0.16 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2kdf s ARG 42 Cb -0.06 0.11 0.08 0.00 0.52 0.00 0.00 34.95 35.60 2kdf s ARG 42 CO 0.07 -0.05 0.00 -0.51 0.02 0.00 0.00 175.30 174.83 2kdf s LEU 43 N -0.94 2.94 -0.06 2.53 1.43 -1.26 -0.88 118.68 122.44 2kdf s LEU 43 Ca -0.10 -1.49 0.01 0.00 -1.03 0.00 0.00 54.13 51.52 2kdf s LEU 43 Cb -0.06 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2kdf s LEU 43 CO 0.00 -0.31 -0.06 -0.63 0.23 0.00 0.00 176.35 175.58 2kdf s ILE 44 N 1.35 3.77 -0.12 -0.59 1.09 -0.07 -0.78 121.20 125.84 2kdf s ILE 44 Ca 0.01 -0.51 -0.12 0.00 -1.10 0.00 0.00 60.65 58.93 2kdf s ILE 44 Cb -0.18 -2.56 0.03 0.00 -1.06 0.00 0.00 42.46 38.68 2kdf s ILE 44 CO -0.11 0.56 0.34 0.12 -0.10 0.00 0.00 174.94 175.75 2kdf s PHE 45 N -0.86 -0.36 -1.46 3.97 5.36 -0.24 -0.94 117.98 123.46 2kdf s PHE 45 Ca 0.13 0.86 -0.11 0.00 -0.96 0.00 0.00 56.93 56.85 2kdf s PHE 45 Cb -0.11 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.77 2kdf s PHE 45 CO 0.03 -0.20 0.74 0.00 -1.46 0.00 0.00 175.22 174.32 2kdf n ALA 46 N 2.73 -1.15 -3.21 11.12 0.00 -1.26 -1.54 120.51 127.19 2kdf n ALA 46 Ca -0.14 0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2kdf n ALA 46 Cb 0.57 -3.74 0.08 0.00 0.00 0.00 0.00 19.45 16.36 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 -1.46 -0.24 3.64 0.00 0.00 -1.26 -5.02 105.19 100.85 2kdf n GLY 47 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.17 0.63 0.04 1.61 1.02 -0.59 -5.14 119.74 112.15 2kdf s LYS 48 Ca 0.01 1.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.89 2kdf s LYS 48 Cb -0.01 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 2kdf s LYS 48 CO 0.62 -0.15 1.11 -1.14 -0.92 0.00 0.00 175.35 174.87 2kdf s GLN 49 N 1.85 4.49 -0.21 1.68 0.74 -1.26 -1.07 119.66 125.86 2kdf s GLN 49 Ca -0.09 1.63 -0.27 0.00 0.05 0.00 0.00 55.36 56.68 2kdf s GLN 49 Cb -0.06 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2kdf s GLN 49 CO -0.19 -0.17 0.92 -0.51 -0.55 0.00 0.00 175.29 174.79 2kdf s LEU 50 N 1.02 4.12 0.65 3.68 1.43 0.04 -4.96 118.68 124.66 2kdf s LEU 50 Ca 0.56 1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 54.71 2kdf s LEU 50 Cb -0.26 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2kdf s LEU 50 CO 0.29 -0.55 1.27 -1.61 0.23 0.00 0.00 176.35 175.98 2kdf s GLU 51 N 2.79 2.54 0.45 1.70 2.02 -1.26 -4.73 118.70 122.21 2kdf s GLU 51 Ca 0.40 1.99 0.22 0.00 0.02 0.00 0.00 54.97 57.60 2kdf s GLU 51 Cb -0.16 -1.85 1.04 0.00 0.10 0.00 0.00 34.13 33.26 2kdf s GLU 51 CO 0.08 -1.59 1.90 -0.44 0.02 0.00 0.00 175.26 175.24 2kdf h ASP 52 N 0.47 0.00 0.20 -0.19 5.19 -1.95 -3.10 116.42 117.04 2kdf h ASP 52 Ca -0.50 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.57 2kdf h ASP 52 Cb 1.33 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.85 2kdf h ASP 52 CO 0.53 0.24 -1.60 1.23 -3.12 0.00 0.00 179.24 176.52 2kdf h GLY 53 N 1.42 0.47 -1.26 2.75 0.00 -1.97 -2.84 103.07 101.64 2kdf h GLY 53 Ca -0.00 -1.21 -0.49 0.00 0.00 0.00 0.00 47.33 45.62 2kdf h GLY 53 CO 0.03 1.06 0.09 0.54 0.00 0.00 0.00 176.54 178.26 2kdf n ARG 54 N -3.69 -1.12 -2.68 4.80 3.00 -1.17 -4.64 116.66 111.16 2kdf n ARG 54 Ca -0.22 -0.27 -0.13 0.00 -0.01 0.00 0.00 57.85 57.21 2kdf n ARG 54 Cb 1.05 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 31.23 2kdf n ARG 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2kdf n THR 55 N -4.48 0.00 -0.05 0.55 -2.24 -1.26 -1.20 114.28 105.61 2kdf n THR 55 Ca 0.09 -1.13 -0.13 0.00 -2.27 0.00 0.00 64.05 60.60 2kdf n THR 55 Cb 0.53 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.33 -2.03 3.22 3.38 -1.18 -3.06 115.31 115.96 2kdf h LEU 56 Ca -0.18 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 2kdf h LEU 56 Cb 0.66 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kdf h LEU 56 CO 0.28 0.76 -0.05 -1.28 0.09 0.00 0.00 178.44 178.25 2kdf h SER 57 N -0.10 0.00 -0.00 -0.43 0.87 -1.40 -1.42 113.55 111.08 2kdf h SER 57 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2kdf h SER 57 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2kdf h SER 57 CO 0.03 0.05 0.00 0.44 -0.53 0.00 0.00 176.83 176.82 2kdf h ASP 58 N 0.00 0.00 -0.60 6.23 5.19 -1.78 -1.26 116.42 124.20 2kdf h ASP 58 Ca -0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 2kdf h ASP 58 Cb 0.10 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.42 2kdf h ASP 58 CO 0.01 0.00 0.20 -1.22 -3.12 0.00 0.00 179.24 175.11 2kdf n TYR 59 N -4.06 1.87 -3.16 4.55 4.01 -0.59 -4.92 117.16 114.87 2kdf n TYR 59 Ca -0.03 -1.68 -0.22 0.00 -0.16 0.00 0.00 57.90 55.81 2kdf n TYR 59 Cb 0.08 -0.67 0.01 0.00 -0.31 0.00 0.00 39.34 38.46 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 -1.10 -4.60 -4.74 7.72 5.15 -0.47 -4.93 115.26 112.29 2kdf n ASN 60 Ca 0.43 -0.30 -0.40 0.00 -0.60 0.00 0.00 54.58 53.72 2kdf n ASN 60 Cb 1.29 -3.77 -0.05 0.00 -0.53 0.00 0.00 39.78 36.71 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 -2.99 4.90 0.00 -1.44 1.01 -0.89 -5.01 121.20 116.78 2kdf s ILE 61 Ca 0.33 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.45 2kdf s ILE 61 Cb -0.16 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2kdf s ILE 61 CO 0.40 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.68 2kdf n GLN 62 N 3.18 2.40 -1.42 2.79 6.02 -1.26 -4.38 117.38 124.71 2kdf n GLN 62 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 2kdf n GLN 62 Cb 0.51 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.84 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 -1.28 2.55 -1.33 -1.09 -2.85 -1.26 -3.29 119.74 111.19 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 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 2kdf s LYS 63 CO 0.00 -1.41 0.00 0.39 0.10 0.00 0.00 175.35 174.43 2kdf n GLU 64 N -3.28 -1.76 -2.89 1.78 1.02 0.32 -4.92 120.64 110.91 2kdf n GLU 64 Ca 0.09 0.75 -0.38 0.00 -0.02 0.00 0.00 57.16 57.59 2kdf n GLU 64 Cb 0.53 -5.20 -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 7.40 -0.37 1.62 0.01 -1.21 -4.62 113.70 114.43 2kdf s SER 65 Ca 0.00 1.74 -0.19 0.00 1.31 0.00 0.00 55.95 58.81 2kdf s SER 65 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kdf s SER 65 CO 0.00 0.11 0.55 -0.89 0.41 0.00 0.00 173.24 173.41 2kdf s THR 66 N -1.32 4.98 -0.19 1.44 2.01 -1.25 -1.03 115.64 120.27 2kdf s THR 66 Ca 0.42 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 2kdf s THR 66 Cb -0.22 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2kdf s THR 66 CO 0.26 -0.29 0.07 -0.76 -0.69 0.00 0.00 174.62 173.21 2kdf s LEU 67 N 2.48 3.77 -0.59 4.42 1.43 -0.00 -4.89 118.68 125.31 2kdf s LEU 67 Ca 0.20 0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 2kdf s LEU 67 Cb -0.15 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.14 2kdf s LEU 67 CO 0.14 0.14 1.16 -1.00 0.23 0.00 0.00 176.35 177.03 2kdf s HIS 68 N 0.55 2.61 -0.16 0.29 3.76 -0.11 -0.94 115.29 121.29 2kdf s HIS 68 Ca 0.03 0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 55.03 2kdf s HIS 68 Cb -0.13 -4.46 -0.03 0.00 1.11 0.00 0.00 32.58 29.08 2kdf s HIS 68 CO 0.01 -1.59 0.67 -1.17 -0.85 0.00 0.00 174.74 171.81 2kdf s LEU 69 N 4.86 4.19 0.29 0.89 2.96 -0.20 -0.89 118.68 130.78 2kdf s LEU 69 Ca 0.40 0.96 0.09 0.00 -0.22 0.00 0.00 54.13 55.36 2kdf s LEU 69 Cb -0.08 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2kdf s LEU 69 CO 0.24 -0.25 0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 2kdf s VAL 70 N 1.64 3.39 -0.06 1.68 1.01 -0.06 -4.26 120.40 123.74 2kdf s VAL 70 Ca 0.32 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.49 2kdf s VAL 70 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2kdf s VAL 70 CO 0.12 -0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 174.08 2kdf s LEU 71 N -3.74 3.20 -0.17 3.92 1.43 -1.26 -1.09 118.68 120.97 2kdf s LEU 71 Ca 0.33 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2kdf s LEU 71 Cb -0.05 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2kdf s LEU 71 CO 0.21 0.36 -0.10 -0.60 0.23 0.00 0.00 176.35 176.45 2kdf s ARG 72 N -0.88 3.38 0.07 1.70 3.52 -0.95 -4.96 118.95 120.83 2kdf s ARG 72 Ca 0.13 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 2kdf s ARG 72 Cb -0.11 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 2kdf s ARG 72 CO 0.02 0.04 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.94 2kdf s LEU 73 N 0.82 2.32 -0.12 -0.88 1.43 -1.26 -4.71 118.68 116.28 2kdf s LEU 73 Ca -0.03 -0.67 0.17 0.00 -1.03 0.00 0.00 54.13 52.56 2kdf s LEU 73 Cb -0.15 -0.31 0.41 0.00 0.03 0.00 0.00 46.19 46.17 2kdf s LEU 73 CO 0.01 -0.19 1.19 -1.14 0.23 0.00 0.00 176.35 176.45 2kdf n ARG 74 N 1.06 0.93 0.00 1.70 3.00 -1.26 -5.00 116.66 117.09 2kdf n ARG 74 Ca -0.20 -2.73 0.00 0.00 -0.00 0.00 0.00 57.85 54.92 2kdf n ARG 74 Cb 0.56 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 32.05 2kdf n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kdf n GLY 75 N -0.48 1.99 0.00 5.14 0.00 -1.26 -5.36 105.19 105.22 2kdf n GLY 75 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2kdf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93