#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjh s GLN 2 N 0.00 4.43 0.35 3.17 0.74 -1.26 -1.17 119.66 125.91 2kjh s GLN 2 Ca 0.00 0.94 0.05 0.00 0.05 0.00 0.00 55.36 56.40 2kjh s GLN 2 Cb 0.00 -3.47 -0.07 0.00 1.10 0.00 0.00 33.01 30.57 2kjh s GLN 2 CO 0.00 -0.00 0.03 0.96 -0.55 0.00 0.00 175.29 175.73 2kjh s ILE 3 N 1.01 1.47 -0.15 -2.34 -4.36 0.64 -0.32 121.20 117.15 2kjh s ILE 3 Ca 0.39 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2kjh s ILE 3 Cb -0.18 -2.82 0.01 0.00 1.25 0.00 0.00 42.46 40.72 2kjh s ILE 3 CO 0.18 -0.03 -0.21 -0.36 0.24 0.00 0.00 174.94 174.77 2kjh s PHE 4 N -3.10 2.66 -0.38 1.37 0.08 -0.18 -1.51 117.98 116.92 2kjh s PHE 4 Ca 0.35 -1.44 -0.09 0.00 0.12 0.00 0.00 56.93 55.88 2kjh s PHE 4 Cb 0.09 -1.83 0.05 0.00 -0.57 0.00 0.00 43.02 40.76 2kjh s PHE 4 CO 0.16 -0.68 0.20 0.08 -0.10 0.00 0.00 175.22 174.88 2kjh s VAL 5 N 1.02 4.21 -0.20 -0.44 1.01 0.52 -0.06 120.40 126.46 2kjh s VAL 5 Ca -0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 2kjh s VAL 5 Cb -0.14 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2kjh s VAL 5 CO -0.06 -0.33 0.10 -0.75 0.00 0.00 0.00 175.10 174.06 2kjh s LYS 6 N 1.46 4.08 0.46 2.72 2.20 0.24 -0.55 119.74 130.34 2kjh s LYS 6 Ca 0.01 -0.28 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 2kjh s LYS 6 Cb -0.21 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2kjh s LYS 6 CO 0.04 0.25 0.64 0.95 -0.36 0.00 0.00 175.35 176.86 2kjh s THR 7 N 0.47 2.89 -0.05 3.43 -4.23 -1.21 -0.03 115.64 116.91 2kjh s THR 7 Ca 0.06 -0.90 0.30 0.00 -1.18 0.00 0.00 61.69 59.97 2kjh s THR 7 Cb -0.12 -2.99 0.32 0.00 1.34 0.00 0.00 72.50 71.05 2kjh s THR 7 CO -0.00 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 175.91 2kjh h LEU 8 N 0.46 0.00 -1.11 4.79 3.38 -1.92 -1.42 115.31 119.49 2kjh h LEU 8 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2kjh h LEU 8 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2kjh h LEU 8 CO 0.47 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.35 2kjh n THR 9 N -2.66 0.20 -1.01 0.22 -2.24 -1.26 -4.90 114.28 102.64 2kjh n THR 9 Ca 0.00 -0.34 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2kjh n THR 9 Cb 0.19 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2kjh n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kjh n GLY 10 N 1.13 0.47 3.50 3.38 0.00 -0.53 -4.96 105.19 108.18 2kjh n GLY 10 Ca 0.16 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2kjh n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjh s LYS 11 N -0.41 3.92 -0.37 1.61 2.20 -1.26 -4.85 119.74 120.59 2kjh s LYS 11 Ca 0.00 -2.13 -0.29 0.00 -0.36 0.00 0.00 55.97 53.19 2kjh s LYS 11 Cb 0.00 -5.20 0.02 0.00 -1.51 0.00 0.00 37.83 31.14 2kjh s LYS 11 CO 0.00 -1.95 1.14 0.99 -0.36 0.00 0.00 175.35 175.17 2kjh s THR 12 N 2.84 4.34 0.12 3.43 2.01 -1.26 -3.31 115.64 123.81 2kjh s THR 12 Ca 0.44 1.48 0.07 0.00 0.31 0.00 0.00 61.69 63.99 2kjh s THR 12 Cb -0.01 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2kjh s THR 12 CO -0.01 -0.66 -0.05 0.27 -0.69 0.00 0.00 174.62 173.48 2kjh s ILE 13 N 4.08 3.62 0.08 1.82 -4.36 0.29 -4.92 121.20 121.81 2kjh s ILE 13 Ca 0.48 -1.24 -0.15 0.00 -0.26 0.00 0.00 60.65 59.49 2kjh s ILE 13 Cb -0.11 -2.74 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 2kjh s ILE 13 CO 0.22 0.06 0.49 -0.89 0.24 0.00 0.00 174.94 175.06 2kjh s THR 14 N -1.37 4.92 -0.00 8.37 2.01 -1.26 -0.35 115.64 127.95 2kjh s THR 14 Ca 0.24 0.84 0.01 0.00 0.31 0.00 0.00 61.69 63.09 2kjh s THR 14 Cb -0.11 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 2kjh s THR 14 CO 0.16 0.40 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.25 2kjh s LEU 15 N -1.56 2.01 -0.40 4.42 2.96 -0.57 -4.93 118.68 120.60 2kjh s LEU 15 Ca 0.32 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.09 2kjh s LEU 15 Cb -0.16 -0.09 0.07 0.00 0.50 0.00 0.00 46.19 46.50 2kjh s LEU 15 CO 0.17 0.01 0.23 -0.70 -1.32 0.00 0.00 176.35 174.75 2kjh s GLU 16 N -0.09 2.60 0.26 1.98 -6.30 -1.26 -0.26 118.70 115.63 2kjh s GLU 16 Ca 0.00 -1.40 0.03 0.00 -2.50 0.00 0.00 54.97 51.10 2kjh s GLU 16 Cb -0.01 -3.73 -0.05 0.00 0.00 0.00 0.00 34.13 30.34 2kjh s GLU 16 CO -0.00 -0.90 0.04 0.14 0.02 0.00 0.00 175.26 174.56 2kjh s VAL 17 N 1.42 0.92 0.24 3.70 -7.23 -0.32 -4.87 120.40 114.27 2kjh s VAL 17 Ca 0.02 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 2kjh s VAL 17 Cb -0.22 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2kjh s VAL 17 CO 0.02 -0.16 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.03 2kjh s GLU 18 N -3.92 2.28 0.62 4.82 0.41 -1.26 0.62 118.70 122.27 2kjh s GLU 18 Ca 0.33 -1.36 0.34 0.00 -0.41 0.00 0.00 54.97 53.88 2kjh s GLU 18 Cb 0.07 -2.19 1.97 0.00 -1.78 0.00 0.00 34.13 32.20 2kjh s GLU 18 CO 0.12 0.39 2.24 -1.35 -0.49 0.00 0.00 175.26 176.16 2kjh h PRO 19 N 2.12 0.00 -0.34 0.39 0.11 -1.96 0.10 132.00 132.42 2kjh h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kjh h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kjh h PRO 19 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 2kjh n SER 20 N -3.53 1.98 -4.72 -2.05 3.41 -1.26 -2.98 113.62 104.47 2kjh n SER 20 Ca -0.02 -1.94 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 2kjh n SER 20 Cb 0.15 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2kjh n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kjh s ASP 21 N -1.13 7.38 0.34 4.04 1.01 0.36 -4.90 116.67 123.77 2kjh s ASP 21 Ca 0.27 1.66 -0.17 0.00 0.71 0.00 0.00 52.55 55.03 2kjh s ASP 21 Cb 0.14 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 2kjh s ASP 21 CO 0.19 -0.18 0.78 0.42 0.21 0.00 0.00 175.17 176.60 2kjh s THR 22 N 0.65 4.61 0.26 -1.27 -4.23 -1.26 -2.01 115.64 112.39 2kjh s THR 22 Ca 0.49 1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 62.07 2kjh s THR 22 Cb -0.21 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.25 2kjh s THR 22 CO 0.28 -0.19 1.84 0.40 -0.54 0.00 0.00 174.62 176.40 2kjh h ILE 23 N 1.99 0.97 -0.57 2.99 1.08 -0.94 -0.10 117.51 122.93 2kjh h ILE 23 Ca -0.48 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2kjh h ILE 23 Cb 1.18 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2kjh h ILE 23 CO 0.64 0.18 0.31 -0.08 -0.69 0.00 0.00 178.15 178.51 2kjh h GLU 24 N 0.98 0.78 -0.25 2.37 4.81 -1.60 -0.03 114.58 121.63 2kjh h GLU 24 Ca 0.44 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.40 2kjh h GLU 24 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kjh h GLU 24 CO -0.23 0.57 -0.59 -0.97 -0.73 0.00 0.00 179.01 177.06 2kjh h ASN 25 N 0.78 0.92 -0.88 1.04 -1.24 -1.39 -2.78 115.58 112.03 2kjh h ASN 25 Ca 0.20 -0.51 -0.01 0.00 0.71 0.00 0.00 56.30 56.68 2kjh h ASN 25 Cb 0.02 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 2kjh h ASN 25 CO -0.03 1.30 0.49 0.58 -1.29 0.00 0.00 177.43 178.48 2kjh h VAL 26 N 0.61 1.25 -0.80 2.57 2.07 -0.32 -1.94 116.25 119.69 2kjh h VAL 26 Ca 0.00 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kjh h VAL 26 Cb 1.20 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2kjh h VAL 26 CO 0.13 0.28 0.52 0.11 0.02 0.00 0.00 177.57 178.63 2kjh h LYS 27 N 1.23 1.02 -0.52 1.57 1.57 -0.92 -1.15 116.57 119.36 2kjh h LYS 27 Ca 0.31 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2kjh h LYS 27 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2kjh h LYS 27 CO -0.05 0.67 0.09 0.00 -0.57 0.00 0.00 179.45 179.59 2kjh h ALA 28 N 1.31 1.19 -0.49 3.86 0.00 -1.14 -0.50 119.26 123.49 2kjh h ALA 28 Ca 0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2kjh h ALA 28 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2kjh h ALA 28 CO -0.08 0.55 -0.08 0.87 0.00 0.00 0.00 179.25 180.50 2kjh h LYS 29 N 0.77 0.88 -0.33 0.00 1.57 -0.59 0.13 116.57 119.00 2kjh h LYS 29 Ca 0.17 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 2kjh h LYS 29 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kjh h LYS 29 CO 0.00 0.92 -0.35 0.82 -0.57 0.00 0.00 179.45 180.27 2kjh h ILE 30 N 0.79 1.28 -0.41 1.86 2.04 -0.79 -2.57 117.51 119.72 2kjh h ILE 30 Ca 0.14 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.39 2kjh h ILE 30 Cb 0.58 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2kjh h ILE 30 CO 0.04 0.49 -0.14 -0.61 0.00 0.00 0.00 178.15 177.93 2kjh h GLN 31 N 0.62 0.76 -0.50 2.37 4.15 -0.72 0.64 115.11 122.44 2kjh h GLN 31 Ca 0.06 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 2kjh h GLN 31 Cb 0.89 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 2kjh h GLN 31 CO 0.08 0.86 0.17 0.22 -1.93 0.00 0.00 178.83 178.24 2kjh h ASP 32 N 0.68 0.67 0.00 -0.69 3.58 -0.52 -0.64 116.42 119.50 2kjh h ASP 32 Ca 0.11 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kjh h ASP 32 Cb 0.62 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kjh h ASP 32 CO 0.04 0.62 -0.21 0.11 -2.88 0.00 0.00 179.24 176.93 2kjh h LYS 33 N 0.72 0.00 0.07 0.28 1.57 -1.15 -3.43 116.57 114.63 2kjh h LYS 33 Ca 0.17 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 2kjh h LYS 33 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kjh h LYS 33 CO -0.01 0.00 -0.43 0.93 -0.57 0.00 0.00 179.45 179.36 2kjh h GLU 34 N -0.64 0.14 0.00 3.15 4.39 -1.00 -3.49 114.58 117.14 2kjh h GLU 34 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2kjh h GLU 34 Cb 0.21 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kjh h GLU 34 CO 0.00 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.38 2kjh n GLY 35 N 1.64 1.27 3.69 -3.84 0.00 -0.25 -5.02 105.19 102.68 2kjh n GLY 35 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2kjh n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kjh s ILE 36 N -2.00 4.47 0.22 -0.61 1.01 -1.26 -4.96 121.20 118.06 2kjh s ILE 36 Ca 0.00 1.77 -0.32 0.00 0.00 0.00 0.00 60.65 62.10 2kjh s ILE 36 Cb 0.00 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.19 2kjh s ILE 36 CO 0.00 0.01 1.36 -2.65 0.00 0.00 0.00 174.94 173.66 2kjh n PRO 37 N 5.08 1.83 0.03 2.79 -0.02 -1.26 -4.26 135.00 139.19 2kjh n PRO 37 Ca 0.10 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 2kjh n PRO 37 Cb 0.47 -2.28 0.66 0.00 -0.02 0.00 0.00 33.50 32.33 2kjh n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kjh h PRO 38 N 4.13 0.04 0.00 0.52 0.11 -1.94 -0.72 132.00 134.15 2kjh h PRO 38 Ca -0.45 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2kjh h PRO 38 Cb 1.29 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2kjh h PRO 38 CO 0.75 0.03 -0.41 0.38 -0.21 0.00 0.00 178.00 178.54 2kjh h ASP 39 N 0.05 0.00 -0.21 -2.05 2.03 -1.99 -2.95 116.42 111.29 2kjh h ASP 39 Ca 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 2kjh h ASP 39 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 2kjh h ASP 39 CO -0.01 0.41 0.00 0.00 -1.03 0.00 0.00 179.24 178.61 2kjh n GLN 40 N -3.43 1.98 -3.01 4.15 6.02 -0.29 -4.80 117.38 117.99 2kjh n GLN 40 Ca 0.00 -1.47 -0.43 0.00 -0.01 0.00 0.00 57.00 55.09 2kjh n GLN 40 Cb 0.57 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.35 2kjh n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kjh s GLN 41 N -1.73 3.17 -0.74 -1.09 -0.21 -1.11 -2.46 119.66 115.49 2kjh s GLN 41 Ca 0.34 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.88 2kjh s GLN 41 Cb 0.19 -4.13 0.19 0.00 1.00 0.00 0.00 33.01 30.27 2kjh s GLN 41 CO 0.28 -1.43 0.62 0.50 -2.12 0.00 0.00 175.29 173.15 2kjh s ARG 42 N 3.24 3.14 -0.23 2.91 3.52 0.10 -4.98 118.95 126.66 2kjh s ARG 42 Ca 0.20 -2.49 -0.25 0.00 -0.13 0.00 0.00 55.73 53.06 2kjh s ARG 42 Cb -0.18 -4.12 -0.01 0.00 -1.56 0.00 0.00 34.95 29.09 2kjh s ARG 42 CO 0.13 -1.24 0.84 -0.51 -0.81 0.00 0.00 175.30 173.71 2kjh s LEU 43 N 0.07 4.09 -0.10 -0.88 1.43 -1.26 -0.25 118.68 121.78 2kjh s LEU 43 Ca 0.17 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.38 2kjh s LEU 43 Cb -0.15 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 2kjh s LEU 43 CO -0.06 -0.50 -0.23 -0.63 0.23 0.00 0.00 176.35 175.16 2kjh s ILE 44 N 2.75 2.18 -0.03 -0.59 -1.09 0.43 -1.12 121.20 123.73 2kjh s ILE 44 Ca 0.36 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 2kjh s ILE 44 Cb -0.15 -1.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2kjh s ILE 44 CO 0.08 0.56 0.04 0.12 -1.23 0.00 0.00 174.94 174.50 2kjh s PHE 45 N 0.30 0.06 -1.52 3.97 5.36 0.83 -1.22 117.98 125.76 2kjh s PHE 45 Ca -0.17 0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.92 2kjh s PHE 45 Cb -0.17 -0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.19 2kjh s PHE 45 CO 0.08 -0.12 0.41 0.00 -1.46 0.00 0.00 175.22 174.12 2kjh n ALA 46 N 4.51 -0.90 -0.98 11.12 0.00 -1.26 -0.78 120.51 132.22 2kjh n ALA 46 Ca -0.21 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kjh n ALA 46 Cb 0.50 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.80 2kjh n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjh n GLY 47 N -1.30 0.51 3.38 0.00 0.00 -1.26 -5.01 105.19 101.52 2kjh n GLY 47 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2kjh n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjh s LYS 48 N -0.33 2.08 0.00 1.61 1.02 0.04 -5.11 119.74 119.04 2kjh s LYS 48 Ca 0.00 -0.96 -0.24 0.00 0.02 0.00 0.00 55.97 54.79 2kjh s LYS 48 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2kjh s LYS 48 CO 0.00 0.55 0.74 -1.14 -0.92 0.00 0.00 175.35 174.58 2kjh s GLN 49 N -1.02 4.46 -0.48 1.68 0.74 -1.26 -0.12 119.66 123.65 2kjh s GLN 49 Ca 0.12 1.00 -0.28 0.00 0.05 0.00 0.00 55.36 56.24 2kjh s GLN 49 Cb -0.10 -3.40 0.03 0.00 1.10 0.00 0.00 33.01 30.64 2kjh s GLN 49 CO 0.02 0.20 1.11 -0.51 -0.55 0.00 0.00 175.29 175.56 2kjh s LEU 50 N 0.29 3.67 0.18 3.68 1.43 -0.27 -4.95 118.68 122.70 2kjh s LEU 50 Ca 0.38 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 2kjh s LEU 50 Cb -0.19 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 2kjh s LEU 50 CO 0.21 -1.25 1.11 -0.70 0.23 0.00 0.00 176.35 175.95 2kjh s GLU 51 N 4.40 4.59 0.26 1.70 2.12 -1.26 -4.75 118.70 125.76 2kjh s GLU 51 Ca 0.46 1.73 -0.01 0.00 0.36 0.00 0.00 54.97 57.51 2kjh s GLU 51 Cb -0.07 -3.27 0.56 0.00 0.26 0.00 0.00 34.13 31.61 2kjh s GLU 51 CO 0.31 0.07 1.70 -0.44 -0.54 0.00 0.00 175.26 176.35 2kjh h ASP 52 N 5.07 0.18 -0.42 -1.70 5.19 -1.94 -1.60 116.42 121.19 2kjh h ASP 52 Ca -0.44 0.14 -0.26 0.00 -0.62 0.00 0.00 57.03 55.85 2kjh h ASP 52 Cb 1.21 0.16 -0.13 0.00 0.18 0.00 0.00 39.33 40.75 2kjh h ASP 52 CO 0.72 0.00 0.33 0.61 -3.12 0.00 0.00 179.24 177.78 2kjh n GLY 53 N -1.34 3.55 3.31 2.75 0.00 -1.26 -1.76 105.19 110.42 2kjh n GLY 53 Ca 0.17 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2kjh n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kjh s ARG 54 N -1.51 1.23 0.24 1.61 1.81 -0.60 -5.01 118.95 116.72 2kjh s ARG 54 Ca 0.26 -1.55 0.06 0.00 -1.72 0.00 0.00 55.73 52.78 2kjh s ARG 54 Cb 0.21 -0.86 -0.03 0.00 -0.45 0.00 0.00 34.95 33.81 2kjh s ARG 54 CO 0.02 0.10 0.26 0.95 -0.68 0.00 0.00 175.30 175.95 2kjh s THR 55 N -3.17 4.78 0.51 0.02 -4.23 -1.26 -0.65 115.64 111.65 2kjh s THR 55 Ca 0.21 -1.23 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 2kjh s THR 55 Cb 0.02 -3.59 0.26 0.00 1.34 0.00 0.00 72.50 70.53 2kjh s THR 55 CO 0.05 -0.33 2.13 -0.07 -0.54 0.00 0.00 174.62 175.86 2kjh h LEU 56 N 1.39 0.00 -1.60 4.79 3.38 -1.47 -1.34 115.31 120.46 2kjh h LEU 56 Ca -0.50 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2kjh h LEU 56 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2kjh h LEU 56 CO 0.61 0.03 -0.22 0.77 0.09 0.00 0.00 178.44 179.72 2kjh h SER 57 N 0.00 0.00 -0.54 -0.43 4.64 -1.81 -0.14 113.55 115.28 2kjh h SER 57 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2kjh h SER 57 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2kjh h SER 57 CO 0.00 0.22 0.10 0.44 -0.87 0.00 0.00 176.83 176.72 2kjh h ASP 58 N 0.00 0.88 -0.44 4.97 3.32 -1.58 -2.28 116.42 121.30 2kjh h ASP 58 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2kjh h ASP 58 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2kjh h ASP 58 CO 0.03 0.89 0.00 -1.22 -1.72 0.00 0.00 179.24 177.21 2kjh n TYR 59 N -4.24 0.57 -3.06 4.55 4.02 -1.05 -4.93 117.16 113.03 2kjh n TYR 59 Ca 0.04 -0.29 -0.22 0.00 -0.01 0.00 0.00 57.90 57.42 2kjh n TYR 59 Cb 0.27 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.63 2kjh n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kjh n ASN 60 N 1.23 -6.13 -4.64 7.72 4.05 -0.86 -4.93 115.26 111.71 2kjh n ASN 60 Ca 0.19 -0.31 -0.43 0.00 0.45 0.00 0.00 54.58 54.49 2kjh n ASN 60 Cb 0.53 -4.92 -0.02 0.00 1.23 0.00 0.00 39.78 36.60 2kjh n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2kjh s ILE 61 N -3.19 4.15 0.00 -1.44 1.01 -0.11 -5.00 121.20 116.62 2kjh s ILE 61 Ca 0.33 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2kjh s ILE 61 Cb -0.14 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2kjh s ILE 61 CO 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 174.94 174.99 2kjh n GLN 62 N 7.12 2.15 -2.27 2.79 6.02 -1.26 -4.69 117.38 127.24 2kjh n GLN 62 Ca 0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.81 2kjh n GLN 62 Cb 0.46 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.70 2kjh n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kjh s LYS 63 N -0.04 3.64 -0.97 -1.09 -2.85 -1.26 -3.62 119.74 113.55 2kjh s LYS 63 Ca 0.00 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 2kjh s LYS 63 Cb 0.00 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 2kjh s LYS 63 CO 0.00 -0.54 0.00 0.39 0.10 0.00 0.00 175.35 175.30 2kjh n GLU 64 N -1.67 -1.15 -2.59 1.78 4.71 0.56 -4.98 120.64 117.30 2kjh n GLU 64 Ca 0.08 0.77 -0.39 0.00 -0.01 0.00 0.00 57.16 57.61 2kjh n GLU 64 Cb 0.53 -4.85 -0.05 0.00 -1.01 0.00 0.00 31.44 26.06 2kjh n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2kjh s SER 65 N -2.53 7.22 -0.48 1.62 0.01 -1.24 -4.74 113.70 113.56 2kjh s SER 65 Ca 0.00 2.08 -0.15 0.00 1.31 0.00 0.00 55.95 59.19 2kjh s SER 65 Cb 0.00 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.70 2kjh s SER 65 CO 0.00 -0.16 0.40 -0.89 0.41 0.00 0.00 173.24 173.00 2kjh s THR 66 N -1.36 5.20 0.11 1.44 2.01 -1.26 -1.02 115.64 120.76 2kjh s THR 66 Ca 0.48 -1.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 2kjh s THR 66 Cb -0.26 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.05 2kjh s THR 66 CO 0.33 -0.61 0.65 -0.76 -0.69 0.00 0.00 174.62 173.54 2kjh s LEU 67 N 1.63 4.55 -0.42 4.42 1.43 0.91 -4.87 118.68 126.33 2kjh s LEU 67 Ca 0.04 1.41 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 2kjh s LEU 67 Cb -0.25 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 42.96 2kjh s LEU 67 CO 0.06 0.24 0.31 -1.00 0.23 0.00 0.00 176.35 176.20 2kjh s HIS 68 N -1.09 3.25 -0.59 0.29 3.76 -0.35 -0.60 115.29 119.96 2kjh s HIS 68 Ca 0.32 -0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 54.27 2kjh s HIS 68 Cb -0.21 -2.74 0.09 0.00 1.11 0.00 0.00 32.58 30.83 2kjh s HIS 68 CO 0.22 -0.66 0.74 -1.17 -0.85 0.00 0.00 174.74 173.01 2kjh s LEU 69 N 1.65 5.17 -0.05 0.89 2.96 0.95 -0.43 118.68 129.81 2kjh s LEU 69 Ca 0.04 -1.28 -0.18 0.00 -0.22 0.00 0.00 54.13 52.49 2kjh s LEU 69 Cb -0.21 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2kjh s LEU 69 CO 0.08 -1.14 0.48 -0.69 -1.32 0.00 0.00 176.35 173.77 2kjh s VAL 70 N 2.90 5.06 -0.17 1.68 1.01 0.65 -3.32 120.40 128.21 2kjh s VAL 70 Ca 0.14 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 2kjh s VAL 70 Cb -0.22 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2kjh s VAL 70 CO 0.08 0.43 0.15 -0.76 0.00 0.00 0.00 175.10 175.00 2kjh s LEU 71 N -0.12 4.26 -0.12 3.92 1.02 -1.26 -0.72 118.68 125.66 2kjh s LEU 71 Ca 0.26 0.32 -0.01 0.00 0.02 0.00 0.00 54.13 54.72 2kjh s LEU 71 Cb -0.16 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 2kjh s LEU 71 CO 0.13 0.24 -0.08 -0.60 0.02 0.00 0.00 176.35 176.05 2kjh s ARG 72 N -0.01 3.30 -0.06 1.70 3.52 -1.03 -5.00 118.95 121.37 2kjh s ARG 72 Ca 0.11 -0.59 -0.28 0.00 -0.13 0.00 0.00 55.73 54.84 2kjh s ARG 72 Cb -0.11 -2.72 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2kjh s ARG 72 CO 0.00 0.35 0.91 -1.17 -0.81 0.00 0.00 175.30 174.59 2kjh s LEU 73 N 0.02 4.31 -0.81 -0.88 2.96 -1.26 -4.71 118.68 118.31 2kjh s LEU 73 Ca -0.02 1.48 -0.04 0.00 -0.22 0.00 0.00 54.13 55.34 2kjh s LEU 73 Cb -0.14 -3.43 0.20 0.00 0.50 0.00 0.00 46.19 43.32 2kjh s LEU 73 CO 0.03 -0.29 0.68 -0.60 -1.32 0.00 0.00 176.35 174.85 2kjh s ARG 74 N 1.35 3.11 0.00 1.98 3.52 -1.26 -4.71 118.95 122.93 2kjh s ARG 74 Ca 0.47 -2.95 0.00 0.00 -0.13 0.00 0.00 55.73 53.12 2kjh s ARG 74 Cb -0.19 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 2kjh s ARG 74 CO 0.22 -1.24 0.00 0.41 -0.81 0.00 0.00 175.30 173.88 2kjh n GLY 75 N 2.89 -0.69 0.00 8.12 0.00 -1.26 -5.21 105.19 109.04 2kjh n GLY 75 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kjh n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32