#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kdn n ASN 7 N 0.00 0.31 -0.32 6.55 5.03 -1.26 -3.30 115.26 122.27 1kdn n ASN 7 Ca 0.00 -0.82 0.04 0.00 0.87 0.00 0.00 54.58 54.67 1kdn n ASN 7 Cb 0.00 -0.16 0.04 0.00 -1.02 0.00 0.00 39.78 38.64 1kdn n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1kdn n LYS 8 N 0.11 0.42 -1.74 3.52 4.76 -1.26 -3.98 118.16 119.99 1kdn n LYS 8 Ca 0.00 -1.07 -0.36 0.00 -2.87 0.00 0.00 58.31 54.01 1kdn n LYS 8 Cb 0.08 -1.15 0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1kdn n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1kdn s GLU 9 N -0.68 2.56 0.04 1.97 2.12 -1.21 -4.73 118.70 118.76 1kdn s GLU 9 Ca 0.10 1.95 0.02 0.00 0.36 0.00 0.00 54.97 57.40 1kdn s GLU 9 Cb 0.07 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1kdn s GLU 9 CO 0.10 -1.56 -0.07 1.03 -0.54 0.00 0.00 175.26 174.21 1kdn s ARG 10 N -3.48 0.50 0.10 4.30 0.52 -1.26 -0.90 118.95 118.73 1kdn s ARG 10 Ca 0.80 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1kdn s ARG 10 Cb -0.34 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 1kdn s ARG 10 CO 0.39 0.04 -0.07 -0.08 0.02 0.00 0.00 175.30 175.60 1kdn s THR 11 N -1.37 0.74 -0.18 0.02 -1.32 -0.53 -4.72 115.64 108.28 1kdn s THR 11 Ca -0.11 -1.84 -0.05 0.00 -1.21 0.00 0.00 61.69 58.48 1kdn s THR 11 Cb -0.10 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1kdn s THR 11 CO 0.00 -0.79 -0.00 0.12 -2.21 0.00 0.00 174.62 171.74 1kdn s PHE 12 N -3.29 3.08 0.05 9.09 5.36 -1.26 -2.11 117.98 128.89 1kdn s PHE 12 Ca 0.10 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 55.86 1kdn s PHE 12 Cb 0.03 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 1kdn s PHE 12 CO -0.03 -0.05 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.01 1kdn s LEU 13 N 0.57 2.19 -0.03 6.12 1.43 -0.04 -1.73 118.68 127.19 1kdn s LEU 13 Ca -0.01 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1kdn s LEU 13 Cb -0.14 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1kdn s LEU 13 CO 0.02 0.04 0.04 0.00 0.23 0.00 0.00 176.35 176.68 1kdn s ALA 14 N -0.91 0.15 -0.31 4.21 0.00 -0.78 -0.23 121.76 123.88 1kdn s ALA 14 Ca 0.02 0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 1kdn s ALA 14 Cb -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1kdn s ALA 14 CO 0.02 -0.22 1.01 0.08 0.00 0.00 0.00 175.76 176.65 1kdn s VAL 15 N 1.40 4.57 1.06 0.00 1.01 0.14 -1.75 120.40 126.83 1kdn s VAL 15 Ca -0.05 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 1kdn s VAL 15 Cb -0.13 -4.36 0.22 0.00 0.00 0.00 0.00 36.38 32.12 1kdn s VAL 15 CO -0.03 -0.42 1.07 -0.54 0.00 0.00 0.00 175.10 175.18 1kdn s LYS 16 N 3.49 -0.06 0.26 2.72 1.02 0.08 -1.98 119.74 125.27 1kdn s LYS 16 Ca 0.43 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 57.03 1kdn s LYS 16 Cb -0.13 -1.67 0.54 0.00 -0.52 0.00 0.00 37.83 36.05 1kdn s LYS 16 CO 0.14 -3.09 1.74 -1.35 -0.92 0.00 0.00 175.35 171.87 1kdn h PRO 17 N -2.16 0.50 -0.67 -1.68 0.11 -1.85 -0.50 132.00 125.75 1kdn h PRO 17 Ca -0.57 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.47 1kdn h PRO 17 Cb 1.33 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1kdn h PRO 17 CO 0.55 0.33 0.24 0.38 -0.21 0.00 0.00 178.00 179.29 1kdn h ASP 18 N 0.51 0.93 -0.53 -2.05 2.03 -1.88 -0.05 116.42 115.38 1kdn h ASP 18 Ca 0.46 -0.15 -0.10 0.00 -0.73 0.00 0.00 57.03 56.52 1kdn h ASP 18 Cb 0.71 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.95 1kdn h ASP 18 CO -0.41 0.85 -0.04 1.23 -1.03 0.00 0.00 179.24 179.84 1kdn h GLY 19 N 1.06 1.06 0.92 7.15 0.00 -1.29 -1.95 103.07 110.02 1kdn h GLY 19 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 1kdn h GLY 19 CO -0.01 0.73 -0.29 -2.08 0.00 0.00 0.00 176.54 174.88 1kdn h VAL 20 N 0.90 1.32 0.00 4.60 2.07 -0.80 -2.06 116.25 122.27 1kdn h VAL 20 Ca 0.16 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1kdn h VAL 20 Cb 0.58 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1kdn h VAL 20 CO 0.03 0.46 -0.18 0.00 0.02 0.00 0.00 177.57 177.91 1kdn h ALA 21 N 0.66 1.20 -0.01 1.67 0.00 -0.88 -2.36 119.26 119.54 1kdn h ALA 21 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kdn h ALA 21 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1kdn h ALA 21 CO 0.07 0.23 -0.02 0.54 0.00 0.00 0.00 179.25 180.07 1kdn n ARG 22 N -3.60 1.45 -2.81 0.00 1.74 -0.75 -4.95 116.66 107.74 1kdn n ARG 22 Ca -0.01 -0.72 -0.08 0.00 -0.77 0.00 0.00 57.85 56.27 1kdn n ARG 22 Cb 0.32 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1kdn n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kdn n GLY 23 N 1.15 0.30 0.43 -0.13 0.00 -0.89 -4.97 105.19 101.09 1kdn n GLY 23 Ca 0.19 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1kdn n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kdn n LEU 24 N -2.22 2.14 0.17 0.99 4.77 -0.78 -4.72 117.00 117.35 1kdn n LEU 24 Ca -0.03 -1.37 -0.14 0.00 -0.03 0.00 0.00 56.01 54.44 1kdn n LEU 24 Cb 0.54 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1kdn n LEU 24 CO 0.24 0.47 0.71 0.58 -1.33 0.00 0.00 177.39 178.07 1kdn h VAL 25 N 1.78 0.51 -0.67 4.08 2.07 -1.88 -1.87 116.25 120.27 1kdn h VAL 25 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1kdn h VAL 25 Cb 0.50 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1kdn h VAL 25 CO 0.00 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.10 1kdn h GLY 26 N -0.50 1.07 0.97 2.17 0.00 -1.97 -1.26 103.07 103.56 1kdn h GLY 26 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.76 1kdn h GLY 26 CO -0.04 0.54 0.41 -2.09 0.00 0.00 0.00 176.54 175.36 1kdn h GLU 27 N 0.95 0.80 -0.13 4.80 4.57 -1.85 -0.61 114.58 123.11 1kdn h GLU 27 Ca 0.22 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1kdn h GLU 27 Cb 0.20 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1kdn h GLU 27 CO -0.02 0.53 -0.02 0.82 -1.18 0.00 0.00 179.01 179.14 1kdn h ILE 28 N 0.83 1.28 -0.93 2.32 2.04 -1.06 -2.93 117.51 119.06 1kdn h ILE 28 Ca 0.23 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1kdn h ILE 28 Cb -0.07 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1kdn h ILE 28 CO -0.06 0.27 0.54 0.40 0.00 0.00 0.00 178.15 179.30 1kdn h ILE 29 N -0.07 1.26 -0.62 -0.67 2.04 -1.09 -2.60 117.51 115.77 1kdn h ILE 29 Ca 0.03 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1kdn h ILE 29 Cb 0.43 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1kdn h ILE 29 CO 0.01 0.28 0.39 0.00 0.00 0.00 0.00 178.15 178.84 1kdn h ALA 30 N 1.30 1.53 -0.82 1.87 0.00 -1.09 -1.38 119.26 120.66 1kdn h ALA 30 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1kdn h ALA 30 Cb -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1kdn h ALA 30 CO -0.06 0.43 0.42 0.00 0.00 0.00 0.00 179.25 180.04 1kdn h ARG 31 N 0.84 1.16 -0.13 0.00 3.08 -1.27 0.27 114.38 118.34 1kdn h ARG 31 Ca 0.23 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 59.91 1kdn h ARG 31 Cb -0.07 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 29.77 1kdn h ARG 31 CO -0.05 0.88 -0.77 1.88 -1.07 0.00 0.00 179.97 180.84 1kdn h TYR 32 N 1.15 0.90 -0.44 3.04 0.05 -1.42 -2.45 116.97 117.80 1kdn h TYR 32 Ca 0.29 -0.40 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 1kdn h TYR 32 Cb 0.08 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1kdn h TYR 32 CO 0.01 1.21 0.05 0.93 -1.05 0.00 0.00 178.16 179.30 1kdn h GLU 33 N 0.45 0.74 -0.09 4.88 5.08 -1.02 -2.02 114.58 122.60 1kdn h GLU 33 Ca -0.05 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1kdn h GLU 33 Cb 1.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1kdn h GLU 33 CO 0.15 0.78 -0.18 0.87 -1.00 0.00 0.00 179.01 179.63 1kdn h LYS 34 N 0.59 0.15 0.00 2.33 1.57 -0.95 -1.92 116.57 118.34 1kdn h LYS 34 Ca 0.13 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1kdn h LYS 34 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1kdn h LYS 34 CO 0.01 0.34 -0.27 -0.22 -0.57 0.00 0.00 179.45 178.74 1kdn h LYS 35 N 0.14 0.00 0.00 3.15 1.63 -1.19 -3.47 116.57 116.84 1kdn h LYS 35 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1kdn h LYS 35 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1kdn h LYS 35 CO 0.03 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.70 1kdn n GLY 36 N -0.16 0.80 3.79 5.01 0.00 -0.72 -5.09 105.19 108.80 1kdn n GLY 36 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1kdn n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kdn s PHE 37 N -2.00 2.88 -0.15 1.61 0.08 -0.79 -4.82 117.98 114.78 1kdn s PHE 37 Ca 0.00 1.56 -0.05 0.00 0.12 0.00 0.00 56.93 58.56 1kdn s PHE 37 Cb 0.00 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 1kdn s PHE 37 CO 0.00 -1.10 0.03 0.08 -0.10 0.00 0.00 175.22 174.14 1kdn s VAL 38 N -1.92 4.56 -0.20 -0.44 1.01 -0.72 -4.43 120.40 118.26 1kdn s VAL 38 Ca 0.69 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1kdn s VAL 38 Cb -0.19 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1kdn s VAL 38 CO 0.23 0.51 1.21 -0.22 0.00 0.00 0.00 175.10 176.83 1kdn s LEU 39 N -0.00 4.12 -0.00 3.92 2.96 -1.26 -0.74 118.68 127.67 1kdn s LEU 39 Ca 0.05 1.54 0.08 0.00 -0.22 0.00 0.00 54.13 55.58 1kdn s LEU 39 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1kdn s LEU 39 CO 0.01 -0.79 0.33 1.33 -1.32 0.00 0.00 176.35 175.91 1kdn n VAL 40 N 5.49 0.00 -3.71 1.68 0.24 -0.24 -4.94 118.33 116.85 1kdn n VAL 40 Ca 0.14 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1kdn n VAL 40 Cb 0.45 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.68 1kdn n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1kdn s GLY 41 N -1.85 -0.37 -0.28 7.63 0.00 -1.09 -1.63 107.32 109.73 1kdn s GLY 41 Ca 0.03 1.39 -0.19 0.00 0.00 0.00 0.00 44.72 45.95 1kdn s GLY 41 CO 0.33 1.20 0.70 -2.27 0.00 0.00 0.00 173.10 173.06 1kdn s LEU 42 N 0.26 -0.88 -0.09 0.66 2.96 -1.26 -1.69 118.68 118.65 1kdn s LEU 42 Ca -0.00 1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 55.10 1kdn s LEU 42 Cb -0.03 2.41 0.12 0.00 0.50 0.00 0.00 46.19 49.18 1kdn s LEU 42 CO 0.01 -0.24 0.97 -1.59 -1.32 0.00 0.00 176.35 174.17 1kdn s LYS 43 N 1.21 0.67 -0.10 1.98 -2.85 -0.32 -5.01 119.74 115.32 1kdn s LYS 43 Ca -0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 54.81 1kdn s LYS 43 Cb -0.05 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 1kdn s LYS 43 CO -0.13 -0.26 -0.05 -1.14 0.10 0.00 0.00 175.35 173.87 1kdn s GLN 44 N -2.17 3.12 0.13 1.78 0.74 -1.26 -0.21 119.66 121.79 1kdn s GLN 44 Ca 0.02 -0.53 -0.18 0.00 0.05 0.00 0.00 55.36 54.73 1kdn s GLN 44 Cb -0.01 -2.73 0.04 0.00 1.10 0.00 0.00 33.01 31.42 1kdn s GLN 44 CO -0.04 0.50 0.45 -0.48 -0.55 0.00 0.00 175.29 175.18 1kdn s LEU 45 N -0.37 0.14 -0.29 3.68 2.34 -0.54 -4.97 118.68 118.67 1kdn s LEU 45 Ca 0.06 -0.22 -0.13 0.00 0.06 0.00 0.00 54.13 53.90 1kdn s LEU 45 Cb -0.12 2.04 -0.04 0.00 -0.56 0.00 0.00 46.19 47.51 1kdn s LEU 45 CO 0.02 -0.87 0.30 -0.69 -1.06 0.00 0.00 176.35 174.05 1kdn s VAL 46 N -3.72 5.23 0.64 1.48 1.01 -1.26 -0.43 120.40 123.34 1kdn s VAL 46 Ca 0.02 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1kdn s VAL 46 Cb 0.01 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1kdn s VAL 46 CO -0.12 0.13 1.28 -2.84 0.00 0.00 0.00 175.10 173.55 1kdn s PRO 47 N 1.93 2.59 0.11 2.72 0.02 -1.26 -5.00 135.00 136.10 1kdn s PRO 47 Ca 0.11 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 63.02 1kdn s PRO 47 Cb -0.16 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1kdn s PRO 47 CO 0.11 -1.56 0.49 -0.08 -0.33 0.00 0.00 177.00 175.62 1kdn s THR 48 N -1.44 4.95 0.45 0.99 -1.32 -1.26 -4.65 115.64 113.36 1kdn s THR 48 Ca 0.82 0.72 0.22 0.00 -1.21 0.00 0.00 61.69 62.24 1kdn s THR 48 Cb -0.36 -3.71 0.42 0.00 -1.51 0.00 0.00 72.50 67.33 1kdn s THR 48 CO 0.39 0.31 1.84 0.50 -2.21 0.00 0.00 174.62 175.45 1kdn h LYS 49 N 3.78 0.28 -0.18 7.08 3.64 -1.94 -1.39 116.57 127.83 1kdn h LYS 49 Ca -0.49 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1kdn h LYS 49 Cb 1.20 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1kdn h LYS 49 CO 0.65 0.18 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.50 1kdn h ASP 50 N 0.28 0.39 -0.32 4.20 3.32 -1.99 -2.19 116.42 120.11 1kdn h ASP 50 Ca 0.50 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1kdn h ASP 50 Cb 1.46 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 1kdn h ASP 50 CO -0.16 0.70 0.13 0.25 -1.72 0.00 0.00 179.24 178.44 1kdn h LEU 51 N 0.07 0.17 -0.83 1.55 5.85 -1.69 -2.02 115.31 118.41 1kdn h LEU 51 Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1kdn h LEU 51 Cb 0.55 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1kdn h LEU 51 CO 0.02 0.13 0.53 0.00 -0.34 0.00 0.00 178.44 178.79 1kdn h ALA 52 N 1.19 1.08 -0.27 1.25 0.00 -1.24 0.14 119.26 121.41 1kdn h ALA 52 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1kdn h ALA 52 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1kdn h ALA 52 CO -0.12 0.37 -0.41 0.93 0.00 0.00 0.00 179.25 180.02 1kdn h GLU 53 N 1.05 0.75 -0.04 0.00 5.08 -1.14 -1.63 114.58 118.64 1kdn h GLU 53 Ca 0.33 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1kdn h GLU 53 Cb -0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1kdn h GLU 53 CO -0.11 1.08 -0.72 0.66 -1.00 0.00 0.00 179.01 178.92 1kdn h SER 54 N 0.49 0.30 -0.22 1.42 4.64 -1.22 -0.35 113.55 118.63 1kdn h SER 54 Ca 0.02 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1kdn h SER 54 Cb 1.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1kdn h SER 54 CO 0.10 0.92 0.14 -0.74 -0.87 0.00 0.00 176.83 176.38 1kdn h HIS 55 N 0.17 0.27 -0.77 4.77 -0.00 -0.64 -2.54 115.15 116.42 1kdn h HIS 55 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.09 1kdn h HIS 55 Cb 1.28 -0.09 -0.16 0.00 -0.00 0.00 0.00 27.41 28.44 1kdn h HIS 55 CO 0.03 0.18 0.34 0.66 -0.00 0.00 0.00 177.93 179.14 1kdn n TYR 56 N -4.93 2.51 -0.33 5.26 4.01 -0.62 -4.69 117.16 118.36 1kdn n TYR 56 Ca -0.03 -1.28 0.23 0.00 -0.16 0.00 0.00 57.90 56.65 1kdn n TYR 56 Cb 0.03 -0.72 0.49 0.00 -0.31 0.00 0.00 39.34 38.83 1kdn n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kdn h ALA 57 N 2.40 2.18 0.00 -0.72 0.00 -0.60 -0.26 119.26 122.26 1kdn h ALA 57 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1kdn h ALA 57 Cb 2.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1kdn h ALA 57 CO 0.79 -0.61 0.00 1.05 0.00 0.00 0.00 179.25 180.48 1kdn h GLU 58 N 0.41 0.00 -0.33 0.00 4.11 -1.85 -2.04 114.58 114.88 1kdn h GLU 58 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1kdn h GLU 58 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1kdn h GLU 58 CO -0.34 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.46 1kdn n HIS 59 N -2.44 0.42 -0.07 2.06 8.25 -0.11 -4.67 115.22 118.67 1kdn n HIS 59 Ca -0.00 -0.24 0.25 0.00 -0.26 0.00 0.00 57.72 57.47 1kdn n HIS 59 Cb 0.14 -0.00 0.69 0.00 1.12 0.00 0.00 29.99 31.94 1kdn n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1kdn h LYS 60 N 3.94 0.00 -0.71 -0.41 2.10 -1.44 0.31 116.57 120.35 1kdn h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kdn h LYS 60 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1kdn h LYS 60 CO 0.00 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 176.60 1kdn n GLU 61 N -3.76 2.85 -3.64 0.07 -0.00 -1.26 -4.94 120.64 109.96 1kdn n GLU 61 Ca 0.15 -2.67 -0.32 0.00 -0.00 0.00 0.00 57.16 54.32 1kdn n GLU 61 Cb 0.94 -1.59 -0.05 0.00 -0.00 0.00 0.00 31.44 30.74 1kdn n GLU 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1kdn s ARG 62 N -1.10 3.64 0.33 3.44 1.81 0.11 -5.03 118.95 122.15 1kdn s ARG 62 Ca 0.48 -0.04 0.05 0.00 -1.72 0.00 0.00 55.73 54.51 1kdn s ARG 62 Cb 0.26 -2.83 0.70 0.00 -0.45 0.00 0.00 34.95 32.62 1kdn s ARG 62 CO 0.32 0.45 1.87 -1.00 -0.68 0.00 0.00 175.30 176.26 1kdn h PRO 63 N 2.83 0.81 -0.00 3.54 0.13 -1.93 -2.77 132.00 134.61 1kdn h PRO 63 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1kdn h PRO 63 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1kdn h PRO 63 CO 0.72 0.53 -0.09 1.97 -0.23 0.00 0.00 178.00 180.91 1kdn n PHE 64 N -4.57 0.00 -0.16 1.56 1.16 -1.26 -4.38 117.46 109.81 1kdn n PHE 64 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.73 1kdn n PHE 64 Cb 0.39 -0.30 0.05 0.00 -1.61 0.00 0.00 39.48 38.01 1kdn n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1kdn h PHE 65 N 0.19 -0.08 -0.23 2.97 3.57 -1.74 -2.13 116.94 119.49 1kdn h PHE 65 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1kdn h PHE 65 Cb 0.38 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1kdn h PHE 65 CO 0.00 -0.14 0.06 0.78 -2.23 0.00 0.00 178.31 176.79 1kdn h GLY 66 N 0.09 0.27 1.68 2.40 0.00 -1.82 -1.77 103.07 103.92 1kdn h GLY 66 Ca 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 1kdn h GLY 66 CO -0.44 0.01 -0.20 -1.33 0.00 0.00 0.00 176.54 174.59 1kdn h GLY 67 N 0.16 0.41 0.71 4.60 0.00 -1.81 -1.47 103.07 105.67 1kdn h GLY 67 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1kdn h GLY 67 CO -0.12 0.28 -0.05 -2.00 0.00 0.00 0.00 176.54 174.65 1kdn h LEU 68 N 0.35 -0.13 -1.02 3.11 5.85 -1.13 0.38 115.31 122.72 1kdn h LEU 68 Ca 0.06 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1kdn h LEU 68 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1kdn h LEU 68 CO 0.04 0.18 0.03 0.58 -0.34 0.00 0.00 178.44 178.92 1kdn h VAL 69 N -0.44 1.23 -0.08 1.05 2.07 -1.29 0.13 116.25 118.91 1kdn h VAL 69 Ca -0.02 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1kdn h VAL 69 Cb 0.36 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1kdn h VAL 69 CO 0.03 0.32 0.03 -1.28 0.02 0.00 0.00 177.57 176.69 1kdn h SER 70 N 0.69 0.11 0.12 0.57 0.87 -1.03 -2.57 113.55 112.32 1kdn h SER 70 Ca 0.14 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1kdn h SER 70 Cb 0.39 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1kdn h SER 70 CO 0.01 0.25 -0.06 0.15 -0.53 0.00 0.00 176.83 176.65 1kdn h PHE 71 N -0.03 -0.15 -0.21 2.24 3.57 0.23 -2.77 116.94 119.82 1kdn h PHE 71 Ca 0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1kdn h PHE 71 Cb 0.17 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1kdn h PHE 71 CO -0.02 0.12 0.17 0.97 -2.23 0.00 0.00 178.31 177.33 1kdn h ILE 72 N -0.42 0.73 -0.02 1.41 6.09 -0.77 0.13 117.51 124.66 1kdn h ILE 72 Ca -0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1kdn h ILE 72 Cb 0.34 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1kdn h ILE 72 CO 0.03 0.00 -0.01 0.35 -3.07 0.00 0.00 178.15 175.45 1kdn n THR 73 N -4.22 0.00 1.22 2.19 -2.24 -0.97 -4.32 114.28 105.94 1kdn n THR 73 Ca 0.02 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1kdn n THR 73 Cb 0.31 0.79 0.65 0.00 -2.10 0.00 0.00 70.33 69.99 1kdn n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kdn n SER 74 N 0.49 0.08 -3.50 3.42 3.41 0.03 -4.74 113.62 112.81 1kdn n SER 74 Ca 0.17 0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1kdn n SER 74 Cb 0.43 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1kdn n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1kdn s GLY 75 N -2.77 -0.03 0.61 5.00 0.00 -1.26 -5.12 107.32 103.76 1kdn s GLY 75 Ca 0.21 -0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 1kdn s GLY 75 CO 0.51 1.73 1.24 2.56 0.00 0.00 0.00 173.10 179.14 1kdn s PRO 76 N -2.48 2.81 -0.01 2.90 0.04 -1.26 -4.41 135.00 132.59 1kdn s PRO 76 Ca 0.19 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.19 1kdn s PRO 76 Cb -0.02 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1kdn s PRO 76 CO 0.04 -1.35 -0.14 0.08 0.04 0.00 0.00 177.00 175.66 1kdn s VAL 77 N -1.52 1.07 -0.28 -0.36 1.01 0.42 -3.71 120.40 117.04 1kdn s VAL 77 Ca 0.79 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1kdn s VAL 77 Cb -0.33 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1kdn s VAL 77 CO 0.36 0.30 0.12 0.68 0.00 0.00 0.00 175.10 176.55 1kdn s VAL 78 N -0.32 4.54 -0.13 2.92 -7.23 -0.84 -1.47 120.40 117.87 1kdn s VAL 78 Ca 0.05 -0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.91 1kdn s VAL 78 Cb -0.05 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1kdn s VAL 78 CO -0.01 0.22 0.15 0.00 -0.31 0.00 0.00 175.10 175.15 1kdn s ALA 79 N 1.63 3.84 0.05 1.32 0.00 0.70 0.27 121.76 129.56 1kdn s ALA 79 Ca 0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1kdn s ALA 79 Cb -0.16 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1kdn s ALA 79 CO 0.06 0.53 0.28 0.00 0.00 0.00 0.00 175.76 176.62 1kdn s MET 80 N -0.78 0.80 -0.08 0.00 0.23 0.67 -1.17 119.30 118.97 1kdn s MET 80 Ca 0.14 -0.57 0.01 0.00 -1.03 0.00 0.00 55.69 54.24 1kdn s MET 80 Cb -0.12 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1kdn s MET 80 CO 0.03 -0.25 -0.09 0.54 -2.03 0.00 0.00 175.02 173.22 1kdn s VAL 81 N -2.69 1.00 -0.03 5.16 0.11 -0.68 -0.86 120.40 122.42 1kdn s VAL 81 Ca -0.04 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1kdn s VAL 81 Cb -0.00 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1kdn s VAL 81 CO -0.04 0.34 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.66 1kdn s PHE 82 N 1.12 2.95 -0.09 1.54 0.08 -0.90 -1.08 117.98 121.60 1kdn s PHE 82 Ca -0.06 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.03 1kdn s PHE 82 Cb -0.14 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1kdn s PHE 82 CO -0.01 0.38 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.29 1kdn s GLU 83 N -1.19 2.97 0.00 0.44 2.12 0.08 -1.45 118.70 121.68 1kdn s GLU 83 Ca 0.15 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1kdn s GLU 83 Cb -0.11 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1kdn s GLU 83 CO 0.05 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 1kdn n GLY 84 N 3.21 -0.04 3.69 -1.50 0.00 -0.08 -1.76 105.19 108.72 1kdn n GLY 84 Ca -0.18 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1kdn n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kdn s LYS 85 N -2.00 4.26 -1.49 1.61 2.20 -1.26 -2.74 119.74 120.33 1kdn s LYS 85 Ca 0.00 2.10 -0.01 0.00 -0.36 0.00 0.00 55.97 57.70 1kdn s LYS 85 Cb 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1kdn s LYS 85 CO 0.00 -0.60 0.05 0.41 -0.36 0.00 0.00 175.35 174.86 1kdn n GLY 86 N 3.72 -0.50 0.26 5.54 0.00 -1.26 -4.90 105.19 108.05 1kdn n GLY 86 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1kdn n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kdn h VAL 87 N -0.12 1.16 0.43 1.61 3.04 -1.81 -1.92 116.25 118.63 1kdn h VAL 87 Ca -0.42 -0.64 -0.02 0.00 -1.01 0.00 0.00 66.70 64.60 1kdn h VAL 87 Cb 1.31 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1kdn h VAL 87 CO 0.49 0.21 -0.21 0.58 -1.01 0.00 0.00 177.57 177.64 1kdn h VAL 88 N 0.34 0.57 -0.15 1.51 2.07 -1.88 0.10 116.25 118.81 1kdn h VAL 88 Ca 0.08 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1kdn h VAL 88 Cb 0.27 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1kdn h VAL 88 CO 0.01 0.04 -0.45 0.00 0.02 0.00 0.00 177.57 177.19 1kdn h ALA 89 N -0.18 0.94 -0.15 1.67 0.00 -1.87 -2.88 119.26 116.79 1kdn h ALA 89 Ca -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1kdn h ALA 89 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kdn h ALA 89 CO 0.10 0.64 -0.04 1.03 0.00 0.00 0.00 179.25 180.98 1kdn h SER 90 N 0.31 0.28 -0.50 0.00 0.87 -1.24 -2.18 113.55 111.09 1kdn h SER 90 Ca 0.02 -0.37 0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1kdn h SER 90 Cb 0.92 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1kdn h SER 90 CO 0.08 0.59 0.33 0.00 -0.53 0.00 0.00 176.83 177.30 1kdn h ALA 91 N 0.71 1.69 -0.44 6.23 0.00 -0.79 -0.41 119.26 126.24 1kdn h ALA 91 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1kdn h ALA 91 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1kdn h ALA 91 CO 0.01 0.28 0.06 0.00 0.00 0.00 0.00 179.25 179.60 1kdn h ARG 92 N 0.64 0.73 -0.89 0.00 2.47 -1.40 -0.63 114.38 115.30 1kdn h ARG 92 Ca 0.19 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1kdn h ARG 92 Cb -0.01 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.18 1kdn h ARG 92 CO -0.04 0.76 0.53 1.25 0.56 0.00 0.00 179.97 183.03 1kdn h LEU 93 N 0.59 1.08 -1.24 3.04 5.85 -0.67 -1.09 115.31 122.87 1kdn h LEU 93 Ca 0.13 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1kdn h LEU 93 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1kdn h LEU 93 CO 0.01 0.83 -0.30 0.24 -0.34 0.00 0.00 178.44 178.88 1kdn h MET 94 N 1.23 0.00 0.07 1.25 2.86 -0.84 -3.18 114.93 116.32 1kdn h MET 94 Ca 0.32 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1kdn h MET 94 Cb -0.04 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.64 1kdn h MET 94 CO -0.06 0.30 -0.68 0.82 1.06 0.00 0.00 176.91 178.35 1kdn h ILE 95 N 0.00 1.49 0.00 -1.22 2.04 -0.32 0.06 117.51 119.55 1kdn h ILE 95 Ca -0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1kdn h ILE 95 Cb 0.71 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1kdn h ILE 95 CO 0.04 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.46 1kdn n GLY 96 N 1.40 -0.09 3.87 5.37 0.00 -0.49 -1.38 105.19 113.86 1kdn n GLY 96 Ca -0.12 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 1kdn n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kdn s VAL 97 N 0.00 2.20 0.21 1.61 -7.23 -1.26 -4.77 120.40 111.16 1kdn s VAL 97 Ca 0.00 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 1kdn s VAL 97 Cb 0.00 -2.65 0.18 0.00 0.56 0.00 0.00 36.38 34.47 1kdn s VAL 97 CO 0.00 0.00 1.68 0.74 -0.31 0.00 0.00 175.10 177.21 1kdn h THR 98 N 0.97 0.54 -3.52 5.32 2.02 -1.99 -3.37 112.91 112.89 1kdn h THR 98 Ca -0.40 -0.05 -0.61 0.00 0.77 0.00 0.00 66.41 66.12 1kdn h THR 98 Cb 1.28 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 67.95 1kdn h THR 98 CO 0.59 0.03 0.32 0.21 0.37 0.00 0.00 175.52 177.04 1kdn s ASN 99 N -5.25 6.55 0.55 4.18 3.04 -1.26 -4.69 114.94 118.06 1kdn s ASN 99 Ca -0.13 0.38 0.23 0.00 0.04 0.00 0.00 52.86 53.38 1kdn s ASN 99 Cb 0.18 -2.38 1.51 0.00 -1.54 0.00 0.00 41.25 39.02 1kdn s ASN 99 CO 0.74 -0.66 2.17 -0.65 -3.04 0.00 0.00 177.10 175.66 1kdn h PRO 100 N 8.38 0.00 0.00 0.43 0.11 -1.82 -1.96 132.00 137.13 1kdn h PRO 100 Ca -0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 1kdn h PRO 100 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1kdn h PRO 100 CO 0.88 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.44 1kdn h LEU 101 N 0.00 0.00 -0.00 2.35 3.38 -1.79 -2.38 115.31 116.86 1kdn h LEU 101 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kdn h LEU 101 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1kdn h LEU 101 CO -0.00 0.16 -0.62 0.00 0.09 0.00 0.00 178.44 178.06 1kdn n ALA 102 N -2.45 3.85 -2.06 1.53 0.00 -0.75 -4.92 120.51 115.71 1kdn n ALA 102 Ca -0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1kdn n ALA 102 Cb 0.23 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1kdn n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1kdn s SER 103 N -3.00 7.21 0.46 0.00 0.01 -0.90 -4.86 113.70 112.64 1kdn s SER 103 Ca 0.10 2.13 -0.22 0.00 1.31 0.00 0.00 55.95 59.27 1kdn s SER 103 Cb 0.17 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1kdn s SER 103 CO 0.74 -0.26 1.14 0.00 0.41 0.00 0.00 173.24 175.27 1kdn s ALA 104 N -0.20 2.95 0.49 1.44 0.00 -1.26 -4.32 121.76 120.84 1kdn s ALA 104 Ca 0.50 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 53.10 1kdn s ALA 104 Cb -0.30 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1kdn s ALA 104 CO 0.36 -0.60 1.37 -1.25 0.00 0.00 0.00 175.76 175.63 1kdn s PRO 105 N -2.77 3.49 0.00 0.00 0.04 -1.26 -2.01 135.00 132.49 1kdn s PRO 105 Ca 0.64 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1kdn s PRO 105 Cb -0.27 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1kdn s PRO 105 CO 0.32 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1kdn n GLY 106 N 0.64 1.84 3.92 0.56 0.00 -1.26 -4.98 105.19 105.90 1kdn n GLY 106 Ca 0.07 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1kdn n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kdn s SER 107 N 0.03 5.51 0.02 1.61 1.04 -0.85 -4.95 113.70 116.12 1kdn s SER 107 Ca 0.00 0.67 -0.25 0.00 0.48 0.00 0.00 55.95 56.85 1kdn s SER 107 Cb 0.00 -1.63 -0.18 0.00 0.10 0.00 0.00 66.02 64.31 1kdn s SER 107 CO 0.00 -1.12 1.42 0.40 0.98 0.00 0.00 173.24 174.93 1kdn h ILE 108 N -0.21 1.08 -0.35 -1.02 2.04 -0.92 -1.06 117.51 117.07 1kdn h ILE 108 Ca -0.45 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1kdn h ILE 108 Cb 1.26 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1kdn h ILE 108 CO 0.60 0.15 -0.14 0.03 0.00 0.00 0.00 178.15 178.80 1kdn h ARG 109 N -0.40 0.62 -0.30 2.37 3.08 -1.49 -1.62 114.38 116.63 1kdn h ARG 109 Ca -0.01 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 1kdn h ARG 109 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1kdn h ARG 109 CO 0.02 0.74 -0.14 0.78 -1.07 0.00 0.00 179.97 180.30 1kdn h GLY 110 N 0.97 0.57 1.69 0.04 0.00 -1.69 0.48 103.07 105.13 1kdn h GLY 110 Ca 0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 1kdn h GLY 110 CO 0.04 0.38 -1.09 -0.55 0.00 0.00 0.00 176.54 175.31 1kdn h ASP 111 N 0.49 0.00 0.00 0.19 3.32 -0.99 -3.41 116.42 116.02 1kdn h ASP 111 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1kdn h ASP 111 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1kdn h ASP 111 CO 0.03 0.87 -0.01 0.49 -1.72 0.00 0.00 179.24 178.90 1kdn n PHE 112 N -3.22 0.00 -4.19 4.55 3.72 -0.63 -5.07 117.46 112.62 1kdn n PHE 112 Ca -0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 1kdn n PHE 112 Cb 0.92 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.39 1kdn n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1kdn s GLY 113 N -0.87 1.64 0.00 1.37 0.00 0.15 -5.02 107.32 104.59 1kdn s GLY 113 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1kdn s GLY 113 CO 0.00 -1.65 0.00 1.55 0.00 0.00 0.00 173.10 173.00 1kdn n VAL 114 N -1.04 0.00 -4.30 1.40 3.14 -1.26 -4.30 118.33 111.97 1kdn n VAL 114 Ca -0.06 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.14 1kdn n VAL 114 Cb 0.59 0.43 -0.14 0.00 -1.06 0.00 0.00 33.84 33.66 1kdn n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1kdn s ASP 115 N 0.00 1.01 0.42 6.55 -1.08 -1.26 -4.52 116.67 117.78 1kdn s ASP 115 Ca 0.00 -0.21 0.08 0.00 -0.52 0.00 0.00 52.55 51.91 1kdn s ASP 115 Cb 0.00 -0.09 0.90 0.00 -1.46 0.00 0.00 42.92 42.27 1kdn s ASP 115 CO 0.00 0.07 2.06 0.58 0.52 0.00 0.00 175.17 178.40 1kdn h VAL 116 N 4.87 1.08 0.00 1.11 2.07 -1.96 -2.26 116.25 121.17 1kdn h VAL 116 Ca -0.31 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1kdn h VAL 116 Cb 1.18 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1kdn h VAL 116 CO 0.49 0.09 -0.23 0.61 0.02 0.00 0.00 177.57 178.55 1kdn n GLY 117 N -1.48 -1.44 2.41 2.17 0.00 -1.26 -4.01 105.19 101.57 1kdn n GLY 117 Ca 0.03 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1kdn n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kdn n ARG 118 N -1.68 1.99 -1.16 1.61 5.12 -0.85 -4.94 116.66 116.75 1kdn n ARG 118 Ca 0.06 -4.18 -0.19 0.00 -1.93 0.00 0.00 57.85 51.61 1kdn n ARG 118 Cb 0.36 -1.91 0.16 0.00 -1.16 0.00 0.00 32.46 29.91 1kdn n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1kdn n ASN 119 N 0.79 4.01 0.00 0.55 0.23 -1.20 -4.18 115.26 115.45 1kdn n ASN 119 Ca 0.27 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.60 1kdn n ASN 119 Cb 0.46 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1kdn n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1kdn n ILE 120 N -1.07 0.00 -3.78 1.53 5.41 -1.26 -4.77 119.36 115.41 1kdn n ILE 120 Ca 0.49 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 64.12 1kdn n ILE 120 Cb 1.21 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 40.06 1kdn n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1kdn s ILE 121 N 0.00 0.07 0.02 1.39 2.07 -1.26 -0.74 121.20 122.74 1kdn s ILE 121 Ca 0.00 -0.57 0.04 0.00 -1.41 0.00 0.00 60.65 58.71 1kdn s ILE 121 Cb 0.00 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1kdn s ILE 121 CO 0.00 -0.31 -0.09 -2.28 -1.91 0.00 0.00 174.94 170.35 1kdn s HIS 122 N -1.62 2.82 -0.01 3.50 5.65 -0.72 -4.92 115.29 119.99 1kdn s HIS 122 Ca -0.12 -0.09 -0.01 0.00 0.25 0.00 0.00 55.06 55.10 1kdn s HIS 122 Cb -0.05 -1.57 0.00 0.00 -1.18 0.00 0.00 32.58 29.79 1kdn s HIS 122 CO 0.02 0.36 0.03 0.20 -0.65 0.00 0.00 174.74 174.70 1kdn s GLY 123 N -1.49 -0.02 0.31 1.59 0.00 -1.26 -1.87 107.32 104.58 1kdn s GLY 123 Ca 0.17 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1kdn s GLY 123 CO 0.08 0.10 1.49 1.44 0.00 0.00 0.00 173.10 176.21 1kdn n SER 124 N 3.12 3.48 -0.75 1.64 7.64 -0.71 -4.93 113.62 123.11 1kdn n SER 124 Ca -0.13 1.18 0.13 0.00 1.01 0.00 0.00 58.87 61.05 1kdn n SER 124 Cb 0.59 -1.55 0.31 0.00 -1.01 0.00 0.00 64.21 62.55 1kdn n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1kdn n ASP 125 N 1.54 2.32 -3.67 6.43 5.68 -1.26 -4.80 116.55 122.79 1kdn n ASP 125 Ca 0.07 -1.77 -0.06 0.00 -0.50 0.00 0.00 54.79 52.53 1kdn n ASP 125 Cb 0.36 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.28 1kdn n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1kdn s SER 126 N -1.88 -0.26 0.33 -1.12 1.04 -1.26 -4.93 113.70 105.61 1kdn s SER 126 Ca 0.34 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.54 1kdn s SER 126 Cb 0.20 0.48 0.57 0.00 0.10 0.00 0.00 66.02 67.38 1kdn s SER 126 CO 0.31 -0.86 1.82 0.58 0.98 0.00 0.00 173.24 176.08 1kdn h VAL 127 N 2.00 1.22 0.10 5.02 2.07 -1.92 -0.01 116.25 124.73 1kdn h VAL 127 Ca -0.24 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1kdn h VAL 127 Cb 1.24 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1kdn h VAL 127 CO 0.28 0.32 -0.05 -0.33 0.02 0.00 0.00 177.57 177.81 1kdn h GLU 128 N 0.40 -0.13 -0.81 1.57 3.07 -1.97 -0.50 114.58 116.21 1kdn h GLU 128 Ca 0.07 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1kdn h GLU 128 Cb 0.48 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1kdn h GLU 128 CO 0.03 0.00 0.52 0.77 -1.40 0.00 0.00 179.01 178.93 1kdn h SER 129 N -0.23 0.94 -0.14 1.42 0.02 -1.88 -1.53 113.55 112.14 1kdn h SER 129 Ca -0.01 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1kdn h SER 129 Cb 0.19 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1kdn h SER 129 CO 0.02 0.69 0.08 0.00 -1.14 0.00 0.00 176.83 176.48 1kdn h ALA 130 N 1.29 0.18 -0.71 3.77 0.00 -0.75 0.64 119.26 123.68 1kdn h ALA 130 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kdn h ALA 130 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1kdn h ALA 130 CO -0.06 -0.28 0.40 -0.91 0.00 0.00 0.00 179.25 178.41 1kdn h ASN 131 N 0.13 0.86 0.06 0.00 2.35 -0.91 0.29 115.58 118.36 1kdn h ASN 131 Ca 0.05 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1kdn h ASN 131 Cb 0.08 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1kdn h ASN 131 CO -0.01 0.68 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.34 1kdn h ARG 132 N 0.98 -0.07 -0.33 0.81 2.43 -1.00 -2.95 114.38 114.25 1kdn h ARG 132 Ca 0.25 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1kdn h ARG 132 Cb -0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1kdn h ARG 132 CO -0.04 0.33 -0.26 0.93 -1.51 0.00 0.00 179.97 179.41 1kdn h GLU 133 N -0.49 0.67 -0.38 0.20 5.08 0.76 -2.25 114.58 118.17 1kdn h GLU 133 Ca -0.01 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1kdn h GLU 133 Cb 0.43 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1kdn h GLU 133 CO 0.01 0.87 0.20 0.82 -1.00 0.00 0.00 179.01 179.91 1kdn h ILE 134 N 0.58 1.16 -0.24 3.13 2.04 -0.52 -2.17 117.51 121.49 1kdn h ILE 134 Ca 0.08 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1kdn h ILE 134 Cb 0.75 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1kdn h ILE 134 CO 0.06 0.17 0.08 0.00 0.00 0.00 0.00 178.15 178.45 1kdn h ALA 135 N 1.05 1.69 -0.22 1.87 0.00 -1.37 -0.02 119.26 122.26 1kdn h ALA 135 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1kdn h ALA 135 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1kdn h ALA 135 CO -0.02 0.25 -0.17 1.25 0.00 0.00 0.00 179.25 180.56 1kdn h LEU 136 N 0.33 0.53 0.00 0.00 6.46 -0.88 -3.37 115.31 118.39 1kdn h LEU 136 Ca 0.08 -0.45 -0.07 0.00 -0.12 0.00 0.00 57.88 57.32 1kdn h LEU 136 Cb 0.11 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1kdn h LEU 136 CO -0.01 0.87 -1.67 0.79 -0.62 0.00 0.00 178.44 177.81 1kdn n TRP 137 N -4.45 0.43 -4.91 1.25 7.02 -0.87 -4.98 117.44 110.93 1kdn n TRP 137 Ca -0.05 0.13 -0.27 0.00 -1.02 0.00 0.00 57.50 56.30 1kdn n TRP 137 Cb 0.39 -0.78 -0.15 0.00 -2.42 0.00 0.00 31.31 28.34 1kdn n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1kdn s PHE 138 N -3.26 1.89 0.36 -5.99 0.40 -0.04 -5.11 117.98 106.22 1kdn s PHE 138 Ca -0.05 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1kdn s PHE 138 Cb 0.11 -1.18 -0.08 0.00 0.51 0.00 0.00 43.02 42.38 1kdn s PHE 138 CO 0.85 0.01 0.74 0.15 0.70 0.00 0.00 175.22 177.68 1kdn s LYS 139 N -0.74 3.89 0.54 0.44 1.02 -1.26 -4.53 119.74 119.10 1kdn s LYS 139 Ca 0.08 0.56 0.24 0.00 0.02 0.00 0.00 55.97 56.87 1kdn s LYS 139 Cb -0.08 -2.42 1.42 0.00 -0.52 0.00 0.00 37.83 36.23 1kdn s LYS 139 CO 0.00 0.07 2.04 -1.35 -0.92 0.00 0.00 175.35 175.19 1kdn h PRO 140 N 1.79 0.00 0.00 -1.68 0.11 -1.95 -1.91 132.00 128.36 1kdn h PRO 140 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kdn h PRO 140 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1kdn h PRO 140 CO 0.65 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 1kdn n GLU 141 N -4.28 0.02 0.00 1.05 0.00 -1.26 -2.91 120.64 113.26 1kdn n GLU 141 Ca 0.06 0.05 0.13 0.00 0.00 0.00 0.00 57.16 57.40 1kdn n GLU 141 Cb 0.47 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.78 1kdn n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1kdn n GLU 142 N -1.49 1.70 -4.60 3.44 1.02 -0.72 -4.89 120.64 115.09 1kdn n GLU 142 Ca 0.07 -1.15 -0.34 0.00 -0.02 0.00 0.00 57.16 55.72 1kdn n GLU 142 Cb 0.30 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 1kdn n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kdn s LEU 143 N -2.09 3.09 0.33 -4.62 1.43 -1.15 -4.52 118.68 111.14 1kdn s LEU 143 Ca 0.32 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1kdn s LEU 143 Cb 0.20 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 1kdn s LEU 143 CO 0.36 0.27 1.38 -0.76 0.23 0.00 0.00 176.35 177.84 1kdn s LEU 144 N -0.25 4.39 -0.18 1.79 1.43 -0.65 -4.94 118.68 120.27 1kdn s LEU 144 Ca 0.03 2.79 -0.17 0.00 -1.03 0.00 0.00 54.13 55.75 1kdn s LEU 144 Cb -0.13 -3.65 -0.14 0.00 0.03 0.00 0.00 46.19 42.30 1kdn s LEU 144 CO 0.03 -0.66 0.12 0.71 0.23 0.00 0.00 176.35 176.77 1kdn h THR 145 N 3.11 0.65 -3.65 5.49 1.35 -1.92 -3.45 112.91 114.49 1kdn h THR 145 Ca -0.49 -1.79 -0.68 0.00 -0.55 0.00 0.00 66.41 62.90 1kdn h THR 145 Cb 1.23 1.53 -0.19 0.00 -1.73 0.00 0.00 68.15 68.99 1kdn h THR 145 CO 0.68 0.22 -0.39 -1.61 -0.25 0.00 0.00 175.52 174.17 1kdn s GLU 146 N -2.29 3.41 -0.11 4.72 0.41 -1.26 -5.07 118.70 118.51 1kdn s GLU 146 Ca -0.23 -0.64 -0.05 0.00 -0.41 0.00 0.00 54.97 53.64 1kdn s GLU 146 Cb 0.04 -3.85 -0.04 0.00 -1.78 0.00 0.00 34.13 28.51 1kdn s GLU 146 CO 0.46 -0.55 0.08 0.08 -0.49 0.00 0.00 175.26 174.84 1kdn s VAL 147 N 1.84 4.99 -0.34 2.63 1.01 -1.26 -5.07 120.40 124.20 1kdn s VAL 147 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1kdn s VAL 147 Cb -0.17 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.16 1kdn s VAL 147 CO 0.11 0.61 0.11 -0.54 0.00 0.00 0.00 175.10 175.39 1kdn s LYS 148 N -0.92 0.98 0.99 2.72 3.01 -1.26 -5.14 119.74 120.13 1kdn s LYS 148 Ca 0.14 -1.42 -0.17 0.00 -1.01 0.00 0.00 55.97 53.52 1kdn s LYS 148 Cb -0.12 -2.31 0.24 0.00 -1.01 0.00 0.00 37.83 34.63 1kdn s LYS 148 CO 0.03 -1.01 1.10 -0.35 0.51 0.00 0.00 175.35 175.63 1kdn n PRO 149 N 4.48 -2.03 -2.09 -1.68 -0.04 -1.26 -4.97 135.00 127.41 1kdn n PRO 149 Ca 0.01 -1.72 -0.42 0.00 -0.04 0.00 0.00 63.50 61.33 1kdn n PRO 149 Cb 0.41 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1kdn n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1kdn s ASN 150 N -4.80 6.74 0.25 3.54 3.84 -1.26 -4.86 114.94 118.39 1kdn s ASN 150 Ca 0.66 2.34 0.20 0.00 0.21 0.00 0.00 52.86 56.26 1kdn s ASN 150 Cb -0.04 -2.57 0.96 0.00 -0.55 0.00 0.00 41.25 39.05 1kdn s ASN 150 CO 0.48 -0.76 1.60 -0.81 -2.79 0.00 0.00 177.10 174.82 1kdn n PRO 151 N 4.88 0.14 -0.07 0.43 -0.04 -1.26 -1.43 135.00 137.64 1kdn n PRO 151 Ca 0.14 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1kdn n PRO 151 Cb 0.42 -1.86 0.40 0.00 -0.04 0.00 0.00 33.50 32.42 1kdn n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kdn n ASN 152 N -2.14 1.63 0.01 3.54 3.02 -1.26 -4.20 115.26 115.86 1kdn n ASN 152 Ca 0.00 -1.67 -0.15 0.00 -0.03 0.00 0.00 54.58 52.73 1kdn n ASN 152 Cb 0.10 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1kdn n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1kdn h LEU 153 N 2.23 0.25 -8.55 3.41 3.38 -1.62 -3.48 115.31 110.93 1kdn h LEU 153 Ca 0.00 -0.47 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 1kdn h LEU 153 Cb 0.49 -0.08 -0.28 0.00 0.09 0.00 0.00 40.66 40.88 1kdn h LEU 153 CO 0.00 1.41 -0.86 -0.31 0.09 0.00 0.00 178.44 178.77 1kdn s TYR 154 N -2.59 2.01 -2.15 1.13 2.02 -1.26 -5.12 117.35 111.39 1kdn s TYR 154 Ca -0.12 -0.38 0.31 0.00 -0.37 0.00 0.00 57.07 56.51 1kdn s TYR 154 Cb 0.07 -1.25 1.66 0.00 -0.40 0.00 0.00 41.96 42.04 1kdn s TYR 154 CO 0.81 0.03 2.09 -1.91 -1.57 0.00 0.00 175.55 175.00