#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 3.87 -0.17 6.55 2.04 -1.26 -4.11 115.26 122.17 1kdn n ASN 7 Ca 0.00 -2.19 0.07 0.00 -0.44 0.00 0.00 54.58 52.02 1kdn n ASN 7 Cb 0.00 -0.93 0.11 0.00 -2.53 0.00 0.00 39.78 36.43 1kdn n ASN 7 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1kdn n LYS 8 N 3.73 2.04 -1.69 -3.83 5.02 -1.26 -3.76 118.16 118.41 1kdn n LYS 8 Ca 0.34 -2.28 -0.39 0.00 -2.02 0.00 0.00 58.31 53.96 1kdn n LYS 8 Cb 0.24 -1.39 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1kdn n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1kdn n GLU 9 N -0.97 1.54 -4.24 1.97 2.13 -1.24 -4.68 120.64 115.16 1kdn n GLU 9 Ca 0.12 0.56 -0.19 0.00 0.66 0.00 0.00 57.16 58.31 1kdn n GLU 9 Cb 0.55 -2.38 -0.12 0.00 0.27 0.00 0.00 31.44 29.75 1kdn n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1kdn s ARG 10 N -2.60 0.87 0.08 5.31 0.52 -1.26 -1.38 118.95 120.48 1kdn s ARG 10 Ca 0.69 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 1kdn s ARG 10 Cb -0.45 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 1kdn s ARG 10 CO 0.52 0.21 -0.11 -0.08 0.02 0.00 0.00 175.30 175.85 1kdn s THR 11 N -1.13 0.92 -0.15 0.02 -1.32 -0.72 -4.71 115.64 108.55 1kdn s THR 11 Ca -0.00 -1.42 -0.06 0.00 -1.21 0.00 0.00 61.69 59.00 1kdn s THR 11 Cb -0.09 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1kdn s THR 11 CO 0.02 -0.41 0.08 0.12 -2.21 0.00 0.00 174.62 172.22 1kdn s PHE 12 N -1.84 3.34 0.05 9.09 5.36 -1.26 -2.07 117.98 130.65 1kdn s PHE 12 Ca -0.00 0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.25 1kdn s PHE 12 Cb -0.07 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1kdn s PHE 12 CO 0.01 0.39 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.56 1kdn s LEU 13 N -0.28 2.24 -0.03 6.12 1.43 0.64 -2.05 118.68 126.74 1kdn s LEU 13 Ca 0.09 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1kdn s LEU 13 Cb -0.12 -0.29 0.03 0.00 0.03 0.00 0.00 46.19 45.84 1kdn s LEU 13 CO 0.01 -0.13 0.03 0.00 0.23 0.00 0.00 176.35 176.49 1kdn s ALA 14 N -1.22 0.21 -0.25 4.21 0.00 -0.66 -0.76 121.76 123.28 1kdn s ALA 14 Ca -0.06 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 1kdn s ALA 14 Cb -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1kdn s ALA 14 CO 0.01 -0.21 0.89 0.08 0.00 0.00 0.00 175.76 176.53 1kdn s VAL 15 N 1.36 4.77 0.90 0.00 1.01 0.37 -0.97 120.40 127.85 1kdn s VAL 15 Ca -0.05 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 1kdn s VAL 15 Cb -0.13 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.20 1kdn s VAL 15 CO -0.03 -0.15 1.10 -0.54 0.00 0.00 0.00 175.10 175.48 1kdn s LYS 16 N 3.00 1.22 0.44 2.72 1.02 0.21 -2.30 119.74 126.04 1kdn s LYS 16 Ca 0.37 0.65 0.21 0.00 0.02 0.00 0.00 55.97 57.22 1kdn s LYS 16 Cb -0.15 -1.82 1.17 0.00 -0.52 0.00 0.00 37.83 36.51 1kdn s LYS 16 CO 0.08 -2.23 1.85 -1.35 -0.92 0.00 0.00 175.35 172.79 1kdn h PRO 17 N -1.53 0.31 -0.32 -1.68 0.11 -1.86 0.14 132.00 127.18 1kdn h PRO 17 Ca -0.50 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1kdn h PRO 17 Cb 1.30 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kdn h PRO 17 CO 0.57 0.21 -0.50 0.38 -0.21 0.00 0.00 178.00 178.45 1kdn h ASP 18 N 0.32 0.99 -0.46 -2.05 2.03 -1.88 0.20 116.42 115.57 1kdn h ASP 18 Ca 0.48 -0.51 -0.02 0.00 -0.73 0.00 0.00 57.03 56.24 1kdn h ASP 18 Cb 1.33 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.53 1kdn h ASP 18 CO -0.16 1.31 0.19 1.23 -1.03 0.00 0.00 179.24 180.78 1kdn h GLY 19 N 0.70 0.73 0.97 7.15 0.00 -0.94 -0.64 103.07 111.03 1kdn h GLY 19 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1kdn h GLY 19 CO 0.11 0.37 0.10 -2.08 0.00 0.00 0.00 176.54 175.05 1kdn h VAL 20 N 0.59 1.24 -0.18 4.60 2.07 -1.07 -2.42 116.25 121.09 1kdn h VAL 20 Ca 0.15 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1kdn h VAL 20 Cb 0.18 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1kdn h VAL 20 CO -0.01 0.31 -0.18 0.00 0.02 0.00 0.00 177.57 177.70 1kdn h ALA 21 N 0.98 1.37 -0.03 1.67 0.00 -0.78 -2.46 119.26 120.00 1kdn h ALA 21 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kdn h ALA 21 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kdn h ALA 21 CO 0.00 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1kdn n ARG 22 N -4.21 1.37 -2.69 0.00 1.74 -0.26 -4.94 116.66 107.66 1kdn n ARG 22 Ca -0.00 -0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 56.46 1kdn n ARG 22 Cb 0.32 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.06 0.15 0.27 -0.13 0.00 -0.93 -4.98 105.19 100.63 1kdn n GLY 23 Ca 0.20 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.35 1.92 0.03 0.99 4.77 -0.92 -4.70 117.00 116.74 1kdn n LEU 24 Ca -0.10 -1.46 -0.11 0.00 -0.03 0.00 0.00 56.01 54.32 1kdn n LEU 24 Cb 0.56 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1kdn n LEU 24 CO 0.26 0.45 0.85 0.58 -1.33 0.00 0.00 177.39 178.21 1kdn h VAL 25 N 1.06 0.94 -0.32 4.08 2.07 -1.88 -1.04 116.25 121.15 1kdn h VAL 25 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1kdn h VAL 25 Cb 0.41 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1kdn h VAL 25 CO 0.00 0.00 0.10 1.23 0.02 0.00 0.00 177.57 178.92 1kdn h GLY 26 N -0.02 0.54 0.71 2.17 0.00 -1.97 -1.16 103.07 103.34 1kdn h GLY 26 Ca 0.02 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.08 1kdn h GLY 26 CO -0.04 0.30 0.48 -2.09 0.00 0.00 0.00 176.54 175.18 1kdn h GLU 27 N 0.36 0.85 -0.22 4.80 4.57 -1.83 -1.04 114.58 122.08 1kdn h GLU 27 Ca 0.10 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1kdn h GLU 27 Cb 0.26 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1kdn h GLU 27 CO -0.00 0.56 -0.06 0.82 -1.18 0.00 0.00 179.01 179.15 1kdn h ILE 28 N 0.87 1.29 -0.81 2.32 2.04 -0.92 -2.89 117.51 119.41 1kdn h ILE 28 Ca 0.35 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1kdn h ILE 28 Cb 0.17 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1kdn h ILE 28 CO -0.17 0.32 0.53 0.40 0.00 0.00 0.00 178.15 179.23 1kdn h ILE 29 N 0.15 1.18 -0.74 -0.67 2.04 -1.01 -2.75 117.51 115.70 1kdn h ILE 29 Ca 0.05 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1kdn h ILE 29 Cb 0.52 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1kdn h ILE 29 CO 0.02 0.20 0.49 0.00 0.00 0.00 0.00 178.15 178.86 1kdn h ALA 30 N 1.31 1.51 -0.83 1.87 0.00 -1.15 -0.64 119.26 121.32 1kdn h ALA 30 Ca 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1kdn h ALA 30 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1kdn h ALA 30 CO -0.08 0.44 0.41 0.00 0.00 0.00 0.00 179.25 180.03 1kdn h ARG 31 N 0.97 1.19 -0.02 0.00 3.08 -1.27 -0.97 114.38 117.35 1kdn h ARG 31 Ca 0.28 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 1kdn h ARG 31 Cb -0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 1kdn h ARG 31 CO -0.07 0.91 -0.74 1.88 -1.07 0.00 0.00 179.97 180.88 1kdn h TYR 32 N 1.18 0.24 -0.46 3.04 0.05 -1.35 -2.90 116.97 116.76 1kdn h TYR 32 Ca 0.29 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.82 1kdn h TYR 32 Cb 0.10 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1kdn h TYR 32 CO 0.01 0.85 -0.23 0.93 -1.05 0.00 0.00 178.16 178.67 1kdn h GLU 33 N 0.11 0.97 -0.35 4.88 5.08 -0.92 -2.69 114.58 121.66 1kdn h GLU 33 Ca -0.02 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1kdn h GLU 33 Cb 1.31 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1kdn h GLU 33 CO 0.11 1.10 -0.01 0.87 -1.00 0.00 0.00 179.01 180.08 1kdn h LYS 34 N 0.81 0.55 0.00 2.33 1.57 -1.21 -2.43 116.57 118.20 1kdn h LYS 34 Ca 0.10 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1kdn h LYS 34 Cb 0.81 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1kdn h LYS 34 CO 0.07 0.59 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.01 1kdn h LYS 35 N 0.53 0.00 0.00 3.15 1.63 -1.43 -3.47 116.57 116.98 1kdn h LYS 35 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1kdn h LYS 35 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1kdn h LYS 35 CO 0.01 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.73 1kdn n GLY 36 N -0.43 0.78 3.80 5.01 0.00 -0.91 -5.10 105.19 108.33 1kdn n GLY 36 Ca -0.02 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 3.07 -0.17 1.61 0.08 -1.03 -4.77 117.98 114.77 1kdn s PHE 37 Ca 0.00 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 58.58 1kdn s PHE 37 Cb 0.00 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1kdn s PHE 37 CO 0.00 -0.70 -0.01 0.08 -0.10 0.00 0.00 175.22 174.49 1kdn s VAL 38 N -2.06 4.11 -0.17 -0.44 1.01 -0.73 -4.45 120.40 117.67 1kdn s VAL 38 Ca 0.66 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1kdn s VAL 38 Cb -0.15 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1kdn s VAL 38 CO 0.20 0.48 1.41 -0.22 0.00 0.00 0.00 175.10 176.97 1kdn s LEU 39 N 0.42 4.12 0.00 3.92 2.96 -1.26 -1.26 118.68 127.58 1kdn s LEU 39 Ca -0.02 1.72 0.10 0.00 -0.22 0.00 0.00 54.13 55.71 1kdn s LEU 39 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1kdn s LEU 39 CO 0.02 -0.93 0.51 1.33 -1.32 0.00 0.00 176.35 175.96 1kdn n VAL 40 N 5.70 0.00 -3.64 1.68 0.24 0.24 -4.93 118.33 117.62 1kdn n VAL 40 Ca 0.16 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 1kdn n VAL 40 Cb 0.45 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.63 -0.45 -0.28 7.63 0.00 -1.18 -0.92 107.32 110.49 1kdn s GLY 41 Ca 0.06 1.46 -0.17 0.00 0.00 0.00 0.00 44.72 46.07 1kdn s GLY 41 CO 0.32 1.20 0.75 -2.27 0.00 0.00 0.00 173.10 173.10 1kdn s LEU 42 N -0.24 -0.84 -0.04 0.66 2.96 -1.26 -1.92 118.68 117.99 1kdn s LEU 42 Ca -0.04 1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 54.96 1kdn s LEU 42 Cb -0.03 2.29 0.09 0.00 0.50 0.00 0.00 46.19 49.04 1kdn s LEU 42 CO 0.04 -0.22 0.80 -1.59 -1.32 0.00 0.00 176.35 174.05 1kdn s LYS 43 N 1.38 0.91 -0.08 1.98 -2.85 0.21 -5.00 119.74 116.29 1kdn s LYS 43 Ca -0.08 0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 54.90 1kdn s LYS 43 Cb -0.05 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1kdn s LYS 43 CO -0.16 -0.33 -0.05 -1.14 0.10 0.00 0.00 175.35 173.78 1kdn s GLN 44 N -1.89 2.94 0.25 1.78 0.74 -1.26 0.20 119.66 122.41 1kdn s GLN 44 Ca -0.04 -0.51 -0.19 0.00 0.05 0.00 0.00 55.36 54.67 1kdn s GLN 44 Cb -0.00 -2.69 0.02 0.00 1.10 0.00 0.00 33.01 31.44 1kdn s GLN 44 CO 0.01 0.62 0.63 -0.48 -0.55 0.00 0.00 175.29 175.51 1kdn s LEU 45 N -0.67 -0.14 -0.38 3.68 2.34 -0.79 -4.98 118.68 117.75 1kdn s LEU 45 Ca 0.10 -0.57 -0.11 0.00 0.06 0.00 0.00 54.13 53.61 1kdn s LEU 45 Cb -0.12 2.45 0.03 0.00 -0.56 0.00 0.00 46.19 48.00 1kdn s LEU 45 CO 0.02 -1.22 0.22 -0.69 -1.06 0.00 0.00 176.35 173.61 1kdn s VAL 46 N -3.91 4.57 0.46 1.48 1.01 -1.26 -0.49 120.40 122.27 1kdn s VAL 46 Ca 0.11 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1kdn s VAL 46 Cb -0.04 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1kdn s VAL 46 CO 0.03 -0.27 1.15 -2.65 0.00 0.00 0.00 175.10 173.36 1kdn n PRO 47 N 5.00 1.55 -3.24 2.72 -0.02 -1.26 -5.01 135.00 134.75 1kdn n PRO 47 Ca -0.12 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 1kdn n PRO 47 Cb 0.46 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1kdn n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1kdn s THR 48 N -1.28 4.89 0.28 3.45 2.01 -1.26 -4.52 115.64 119.21 1kdn s THR 48 Ca 0.65 0.46 0.01 0.00 0.31 0.00 0.00 61.69 63.11 1kdn s THR 48 Cb -0.50 -3.67 0.28 0.00 0.01 0.00 0.00 72.50 68.62 1kdn s THR 48 CO 0.55 -0.25 1.84 0.50 -0.69 0.00 0.00 174.62 176.57 1kdn h LYS 49 N 2.00 0.98 -0.25 4.92 3.64 -1.94 0.11 116.57 126.02 1kdn h LYS 49 Ca -0.47 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1kdn h LYS 49 Cb 1.18 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1kdn h LYS 49 CO 0.67 0.65 0.09 -0.44 -2.27 0.00 0.00 179.45 178.14 1kdn h ASP 50 N 1.00 0.11 -0.15 4.20 3.32 -1.98 0.12 116.42 123.04 1kdn h ASP 50 Ca 0.49 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.54 1kdn h ASP 50 Cb 0.45 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1kdn h ASP 50 CO -0.26 0.09 0.01 0.25 -1.72 0.00 0.00 179.24 177.61 1kdn h LEU 51 N 0.21 0.25 -0.75 1.55 5.85 -1.61 -2.06 115.31 118.75 1kdn h LEU 51 Ca 0.11 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1kdn h LEU 51 Cb 0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1kdn h LEU 51 CO -0.11 0.48 0.49 0.00 -0.34 0.00 0.00 178.44 178.97 1kdn h ALA 52 N 0.77 0.96 -0.39 1.25 0.00 -0.65 0.77 119.26 121.97 1kdn h ALA 52 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1kdn h ALA 52 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1kdn h ALA 52 CO 0.01 0.38 -0.06 0.93 0.00 0.00 0.00 179.25 180.51 1kdn h GLU 53 N 1.02 0.65 0.09 0.00 5.08 -0.69 -1.88 114.58 118.86 1kdn h GLU 53 Ca 0.27 -0.18 -0.26 0.00 -1.00 0.00 0.00 59.36 58.20 1kdn h GLU 53 Cb -0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1kdn h GLU 53 CO -0.06 0.71 -1.14 0.77 -1.00 0.00 0.00 179.01 178.30 1kdn h SER 54 N 0.61 0.43 0.20 1.42 0.02 -0.99 -2.71 113.55 112.54 1kdn h SER 54 Ca 0.12 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1kdn h SER 54 Cb 0.47 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1kdn h SER 54 CO 0.02 1.29 -0.27 -0.74 -1.14 0.00 0.00 176.83 176.00 1kdn h HIS 55 N 0.11 -0.71 -0.74 3.45 -0.00 -0.72 -2.65 115.15 113.89 1kdn h HIS 55 Ca -0.11 0.01 -0.42 0.00 -0.00 0.00 0.00 60.37 59.85 1kdn h HIS 55 Cb 1.84 0.29 -0.22 0.00 -0.00 0.00 0.00 27.41 29.31 1kdn h HIS 55 CO 0.06 -0.38 0.54 0.66 -0.00 0.00 0.00 177.93 178.81 1kdn n TYR 56 N -5.39 2.31 -0.32 5.26 4.01 -0.72 -4.70 117.16 117.61 1kdn n TYR 56 Ca -0.08 -1.82 0.13 0.00 -0.16 0.00 0.00 57.90 55.97 1kdn n TYR 56 Cb 0.29 -0.91 0.35 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.42 1.78 0.00 -0.72 0.00 -1.12 -0.67 119.26 119.94 1kdn h ALA 57 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1kdn h ALA 57 Cb 1.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1kdn h ALA 57 CO 0.94 -0.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.24 1kdn n GLU 58 N -4.66 0.19 -0.12 0.00 0.28 -1.26 -2.67 120.64 112.40 1kdn n GLU 58 Ca 0.21 0.16 0.05 0.00 -0.16 0.00 0.00 57.16 57.42 1kdn n GLU 58 Cb 0.55 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 32.03 1kdn n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1kdn n HIS 59 N -1.27 0.30 -0.05 -1.84 8.25 -0.26 -4.75 115.22 115.60 1kdn n HIS 59 Ca 0.06 -0.34 0.19 0.00 -0.26 0.00 0.00 57.72 57.37 1kdn n HIS 59 Cb 0.10 -0.02 0.63 0.00 1.12 0.00 0.00 29.99 31.82 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 2.00 0.13 -0.00 -0.41 2.10 -1.62 -1.31 116.57 117.45 1kdn h LYS 60 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1kdn h LYS 60 Cb 0.63 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1kdn h LYS 60 CO 0.00 0.08 -0.07 0.39 -2.00 0.00 0.00 179.45 177.85 1kdn n GLU 61 N -4.41 0.71 -3.13 0.07 4.71 -1.26 -4.86 120.64 112.48 1kdn n GLU 61 Ca 0.11 -0.20 -0.34 0.00 -0.01 0.00 0.00 57.16 56.73 1kdn n GLU 61 Cb 0.58 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.46 1kdn n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1kdn s ARG 62 N -2.42 4.10 0.56 3.49 1.81 -0.49 -4.99 118.95 121.00 1kdn s ARG 62 Ca 0.31 0.74 0.27 0.00 -1.72 0.00 0.00 55.73 55.33 1kdn s ARG 62 Cb 0.20 -2.63 1.63 0.00 -0.45 0.00 0.00 34.95 33.70 1kdn s ARG 62 CO 0.46 0.26 2.18 -1.00 -0.68 0.00 0.00 175.30 176.52 1kdn h PRO 63 N 2.76 0.00 0.00 3.54 0.13 -1.89 -2.83 132.00 133.71 1kdn h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1kdn h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1kdn h PRO 63 CO 0.65 0.04 -0.32 1.97 -0.23 0.00 0.00 178.00 180.12 1kdn n PHE 64 N -3.88 0.05 -0.18 1.56 1.16 -1.26 -4.37 117.46 110.54 1kdn n PHE 64 Ca -0.03 0.02 -0.01 0.00 -1.87 0.00 0.00 57.45 55.56 1kdn n PHE 64 Cb 0.13 -0.38 0.09 0.00 -1.61 0.00 0.00 39.48 37.71 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 0.00 0.15 -0.31 2.97 3.57 -1.71 0.31 116.94 121.92 1kdn h PHE 65 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1kdn h PHE 65 Cb 0.52 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1kdn h PHE 65 CO 0.00 -0.03 0.17 0.78 -2.23 0.00 0.00 178.31 177.00 1kdn h GLY 66 N 0.23 0.42 1.42 2.40 0.00 -1.81 -1.55 103.07 104.18 1kdn h GLY 66 Ca 0.28 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1kdn h GLY 66 CO -0.38 0.11 -0.23 -1.33 0.00 0.00 0.00 176.54 174.71 1kdn h GLY 67 N 0.35 0.73 0.95 4.60 0.00 -1.61 -2.64 103.07 105.45 1kdn h GLY 67 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1kdn h GLY 67 CO -0.07 0.56 -0.16 -2.00 0.00 0.00 0.00 176.54 174.87 1kdn h LEU 68 N 0.59 -0.38 -0.63 3.11 5.85 -0.06 -1.71 115.31 122.07 1kdn h LEU 68 Ca 0.08 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1kdn h LEU 68 Cb 0.71 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1kdn h LEU 68 CO 0.05 -0.26 0.42 0.58 -0.34 0.00 0.00 178.44 178.89 1kdn h VAL 69 N -0.41 1.15 -0.24 1.05 2.07 -1.28 -1.44 116.25 117.15 1kdn h VAL 69 Ca -0.03 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1kdn h VAL 69 Cb 0.33 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1kdn h VAL 69 CO 0.04 0.15 -0.13 0.28 0.02 0.00 0.00 177.57 177.94 1kdn h SER 70 N 0.85 0.38 -0.03 0.57 0.02 -1.39 -2.42 113.55 111.54 1kdn h SER 70 Ca 0.24 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1kdn h SER 70 Cb -0.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1kdn h SER 70 CO -0.06 0.54 -0.19 0.15 -1.14 0.00 0.00 176.83 176.13 1kdn h PHE 71 N 0.37 0.25 0.00 3.45 3.57 -0.87 -2.94 116.94 120.76 1kdn h PHE 71 Ca 0.07 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1kdn h PHE 71 Cb 0.45 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1kdn h PHE 71 CO 0.01 0.85 -0.08 0.97 -2.23 0.00 0.00 178.31 177.84 1kdn h ILE 72 N -0.43 0.46 -0.46 1.41 6.09 -1.22 -1.43 117.51 121.93 1kdn h ILE 72 Ca -0.02 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1kdn h ILE 72 Cb 0.88 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1kdn h ILE 72 CO 0.04 0.07 0.00 0.35 -3.07 0.00 0.00 178.15 175.54 1kdn n THR 73 N -3.58 0.60 1.05 2.19 -2.24 -0.92 -4.22 114.28 107.17 1kdn n THR 73 Ca -0.02 -0.76 0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1kdn n THR 73 Cb 0.20 0.77 0.45 0.00 -2.10 0.00 0.00 70.33 69.65 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 1.40 0.30 -2.91 3.42 3.41 -0.54 -4.76 113.62 113.95 1kdn n SER 74 Ca 0.20 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1kdn n SER 74 Cb 0.58 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1kdn n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kdn n GLY 75 N 1.47 0.50 3.68 5.00 0.00 -1.26 -5.10 105.19 109.49 1kdn n GLY 75 Ca 0.07 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1kdn n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kdn n PRO 76 N -0.61 0.98 -3.89 1.61 -0.02 -1.26 -4.34 135.00 127.47 1kdn n PRO 76 Ca 0.01 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1kdn n PRO 76 Cb 0.42 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1kdn n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kdn s VAL 77 N -1.47 0.07 -0.27 -1.45 1.01 0.36 -3.54 120.40 115.12 1kdn s VAL 77 Ca 0.80 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 1kdn s VAL 77 Cb -0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1kdn s VAL 77 CO 0.43 0.06 0.13 0.68 0.00 0.00 0.00 175.10 176.40 1kdn s VAL 78 N 0.44 4.73 -0.07 2.92 -7.23 -0.98 -1.88 120.40 118.34 1kdn s VAL 78 Ca -0.04 -0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1kdn s VAL 78 Cb -0.06 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1kdn s VAL 78 CO -0.01 0.28 0.20 0.00 -0.31 0.00 0.00 175.10 175.25 1kdn s ALA 79 N 1.67 3.87 0.04 1.32 0.00 0.13 -0.47 121.76 128.32 1kdn s ALA 79 Ca 0.06 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1kdn s ALA 79 Cb -0.16 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.00 1kdn s ALA 79 CO 0.07 0.63 0.51 0.00 0.00 0.00 0.00 175.76 176.97 1kdn s MET 80 N -1.27 1.02 -0.09 0.00 0.23 0.06 -0.62 119.30 118.63 1kdn s MET 80 Ca 0.20 -0.23 0.01 0.00 -1.03 0.00 0.00 55.69 54.63 1kdn s MET 80 Cb -0.13 0.47 0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1kdn s MET 80 CO 0.09 -0.37 -0.11 0.54 -2.03 0.00 0.00 175.02 173.15 1kdn s VAL 81 N -2.41 1.14 0.07 5.16 0.11 -0.81 -0.26 120.40 123.39 1kdn s VAL 81 Ca -0.05 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1kdn s VAL 81 Cb -0.01 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1kdn s VAL 81 CO -0.01 0.37 0.06 -0.36 -3.33 0.00 0.00 175.10 171.83 1kdn s PHE 82 N 1.13 3.17 -0.02 1.54 0.08 -0.88 -0.59 117.98 122.40 1kdn s PHE 82 Ca -0.06 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.12 1kdn s PHE 82 Cb -0.14 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1kdn s PHE 82 CO -0.02 0.51 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.46 1kdn s GLU 83 N -2.25 1.36 0.00 0.44 2.12 -0.39 -1.76 118.70 118.22 1kdn s GLU 83 Ca 0.27 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1kdn s GLU 83 Cb -0.12 -1.28 0.00 0.00 0.26 0.00 0.00 34.13 32.99 1kdn s GLU 83 CO 0.20 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1kdn n GLY 84 N 2.82 1.47 3.68 -1.50 0.00 -0.48 -1.77 105.19 109.41 1kdn n GLY 84 Ca -0.15 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1kdn n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kdn n LYS 85 N -0.59 2.67 -2.68 1.61 4.81 -1.25 -2.71 118.16 120.02 1kdn n LYS 85 Ca 0.00 0.97 -0.18 0.00 -0.87 0.00 0.00 58.31 58.23 1kdn n LYS 85 Cb 0.00 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.19 1kdn n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kdn n GLY 86 N 4.23 -0.50 0.36 3.14 0.00 -1.26 -4.87 105.19 106.27 1kdn n GLY 86 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.40 1.23 0.41 1.61 3.04 -1.81 -1.77 116.25 118.56 1kdn h VAL 87 Ca -0.41 -0.47 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1kdn h VAL 87 Cb 1.29 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 1kdn h VAL 87 CO 0.47 0.23 -0.39 0.58 -1.01 0.00 0.00 177.57 177.46 1kdn h VAL 88 N 1.14 0.21 -0.40 1.51 2.07 -1.87 0.12 116.25 119.03 1kdn h VAL 88 Ca 0.30 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.69 1kdn h VAL 88 Cb -0.07 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1kdn h VAL 88 CO -0.06 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.27 1kdn h ALA 89 N -0.43 0.77 -0.27 1.67 0.00 -1.88 -2.73 119.26 116.39 1kdn h ALA 89 Ca -0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1kdn h ALA 89 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1kdn h ALA 89 CO -0.05 0.65 0.12 1.03 0.00 0.00 0.00 179.25 181.00 1kdn h SER 90 N 0.72 0.36 0.17 0.00 0.87 -1.21 -1.92 113.55 112.55 1kdn h SER 90 Ca 0.09 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1kdn h SER 90 Cb 0.81 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1kdn h SER 90 CO 0.07 0.40 -0.11 0.00 -0.53 0.00 0.00 176.83 176.66 1kdn h ALA 91 N 0.97 1.60 -0.30 6.23 0.00 -0.70 -0.17 119.26 126.90 1kdn h ALA 91 Ca 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1kdn h ALA 91 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kdn h ALA 91 CO -0.01 0.14 -0.42 0.00 0.00 0.00 0.00 179.25 178.97 1kdn h ARG 92 N 0.00 0.81 -0.70 0.00 2.47 -1.15 -1.58 114.38 114.22 1kdn h ARG 92 Ca -0.00 -0.47 -0.06 0.00 -1.26 0.00 0.00 59.98 58.19 1kdn h ARG 92 Cb 0.23 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1kdn h ARG 92 CO 0.01 1.10 0.22 1.25 0.56 0.00 0.00 179.97 183.12 1kdn h LEU 93 N 0.58 1.01 -1.02 3.04 5.85 -0.43 -1.52 115.31 122.82 1kdn h LEU 93 Ca 0.03 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1kdn h LEU 93 Cb 1.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1kdn h LEU 93 CO 0.10 0.94 -0.38 0.24 -0.34 0.00 0.00 178.44 179.00 1kdn h MET 94 N 1.04 0.00 0.00 1.25 2.86 -0.98 -3.14 114.93 115.96 1kdn h MET 94 Ca 0.23 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1kdn h MET 94 Cb 0.29 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1kdn h MET 94 CO -0.01 0.38 -0.56 0.82 1.06 0.00 0.00 176.91 178.60 1kdn h ILE 95 N 0.00 1.45 0.00 -1.22 2.04 -0.71 0.11 117.51 119.18 1kdn h ILE 95 Ca -0.00 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1kdn h ILE 95 Cb 0.85 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1kdn h ILE 95 CO 0.05 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.41 1kdn n GLY 96 N 1.08 0.19 3.65 5.37 0.00 -0.62 -0.42 105.19 114.43 1kdn n GLY 96 Ca -0.10 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 1.07 0.15 1.61 -7.23 -1.26 -4.70 120.40 110.04 1kdn s VAL 97 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1kdn s VAL 97 Cb 0.00 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1kdn s VAL 97 CO 0.00 0.00 1.75 0.74 -0.31 0.00 0.00 175.10 177.28 1kdn h THR 98 N 1.57 0.90 -3.48 5.32 2.02 -1.98 -3.37 112.91 113.89 1kdn h THR 98 Ca -0.41 -0.09 -0.60 0.00 0.77 0.00 0.00 66.41 66.09 1kdn h THR 98 Cb 1.29 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 1kdn h THR 98 CO 0.69 0.05 0.55 0.21 0.37 0.00 0.00 175.52 177.39 1kdn s ASN 99 N -5.35 6.67 0.39 4.18 3.04 -1.26 -4.67 114.94 117.93 1kdn s ASN 99 Ca -0.13 0.57 0.06 0.00 0.04 0.00 0.00 52.86 53.39 1kdn s ASN 99 Cb 0.12 -2.45 0.78 0.00 -1.54 0.00 0.00 41.25 38.16 1kdn s ASN 99 CO 0.71 -0.81 2.03 -0.65 -3.04 0.00 0.00 177.10 175.33 1kdn h PRO 100 N 8.43 0.65 0.00 0.43 0.11 -1.83 -1.26 132.00 138.53 1kdn h PRO 100 Ca -0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1kdn h PRO 100 Cb 1.08 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1kdn h PRO 100 CO 0.96 0.43 -0.04 -0.07 -0.21 0.00 0.00 178.00 179.07 1kdn h LEU 101 N 0.67 0.00 -1.10 2.35 3.38 -1.76 -1.24 115.31 117.61 1kdn h LEU 101 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1kdn h LEU 101 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1kdn h LEU 101 CO -0.05 0.04 -0.31 0.00 0.09 0.00 0.00 178.44 178.21 1kdn n ALA 102 N -2.25 3.19 -1.77 1.53 0.00 -0.50 -4.91 120.51 115.80 1kdn n ALA 102 Ca -0.02 -0.60 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 1kdn n ALA 102 Cb 0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.35 7.53 0.44 0.00 0.01 -0.47 -4.88 113.70 113.97 1kdn s SER 103 Ca 0.23 2.04 -0.23 0.00 1.31 0.00 0.00 55.95 59.30 1kdn s SER 103 Cb 0.19 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1kdn s SER 103 CO 0.49 0.06 1.10 0.00 0.41 0.00 0.00 173.24 175.30 1kdn s ALA 104 N -1.12 3.01 0.29 1.44 0.00 -1.26 -4.34 121.76 119.78 1kdn s ALA 104 Ca 0.42 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1kdn s ALA 104 Cb -0.28 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 1kdn s ALA 104 CO 0.35 -0.43 1.61 -1.25 0.00 0.00 0.00 175.76 176.04 1kdn s PRO 105 N -2.67 4.11 0.00 0.00 0.04 -1.26 -2.11 135.00 133.10 1kdn s PRO 105 Ca 0.62 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.26 1kdn s PRO 105 Cb -0.24 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1kdn s PRO 105 CO 0.30 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1kdn n GLY 106 N 2.24 1.91 3.92 0.56 0.00 -1.26 -5.00 105.19 107.56 1kdn n GLY 106 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.14 6.10 0.05 1.61 1.04 -0.90 -4.94 113.70 115.54 1kdn s SER 107 Ca 0.00 0.70 -0.23 0.00 0.48 0.00 0.00 55.95 56.89 1kdn s SER 107 Cb 0.00 -2.01 -0.16 0.00 0.10 0.00 0.00 66.02 63.95 1kdn s SER 107 CO 0.00 -0.61 1.57 0.40 0.98 0.00 0.00 173.24 175.57 1kdn h ILE 108 N 0.30 1.16 -0.09 -1.02 2.04 -0.65 -1.12 117.51 118.13 1kdn h ILE 108 Ca -0.47 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 1kdn h ILE 108 Cb 1.22 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1kdn h ILE 108 CO 0.61 0.13 -0.42 0.03 0.00 0.00 0.00 178.15 178.50 1kdn h ARG 109 N -0.13 0.20 -0.22 2.37 3.08 -0.99 -2.17 114.38 116.52 1kdn h ARG 109 Ca 0.01 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1kdn h ARG 109 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1kdn h ARG 109 CO -0.00 0.59 -0.32 0.78 -1.07 0.00 0.00 179.97 179.95 1kdn h GLY 110 N 1.24 0.48 1.89 0.04 0.00 -1.68 -1.44 103.07 103.61 1kdn h GLY 110 Ca 0.01 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 46.73 1kdn h GLY 110 CO 0.06 0.39 -0.96 -0.55 0.00 0.00 0.00 176.54 175.48 1kdn h ASP 111 N 0.38 0.00 0.00 0.19 3.32 -1.01 -3.42 116.42 115.89 1kdn h ASP 111 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1kdn h ASP 111 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1kdn h ASP 111 CO 0.06 0.88 0.00 0.49 -1.72 0.00 0.00 179.24 178.95 1kdn n PHE 112 N -3.29 0.00 -4.43 4.55 3.72 -0.84 -5.08 117.46 112.10 1kdn n PHE 112 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 1kdn n PHE 112 Cb 0.90 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.69 1.81 0.00 1.37 0.00 -0.55 -5.02 107.32 104.25 1kdn s GLY 113 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1kdn s GLY 113 CO 0.00 -1.83 0.00 -0.62 0.00 0.00 0.00 173.10 170.65 1kdn n VAL 114 N -0.37 0.00 -4.79 1.40 0.31 -1.26 -4.27 118.33 109.35 1kdn n VAL 114 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.99 1kdn n VAL 114 Cb 0.59 0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.51 1kdn n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kdn s ASP 115 N -1.00 2.52 0.31 4.52 2.15 -1.26 -4.38 116.67 119.52 1kdn s ASP 115 Ca 0.00 -0.48 -0.01 0.00 0.43 0.00 0.00 52.55 52.49 1kdn s ASP 115 Cb 0.00 -0.23 0.48 0.00 -0.30 0.00 0.00 42.92 42.86 1kdn s ASP 115 CO 0.00 0.20 1.94 0.58 -0.17 0.00 0.00 175.17 177.72 1kdn h VAL 116 N 4.44 1.20 0.00 1.11 2.07 -1.96 -2.09 116.25 121.01 1kdn h VAL 116 Ca -0.42 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1kdn h VAL 116 Cb 1.15 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1kdn h VAL 116 CO 0.45 0.22 -0.11 0.61 0.02 0.00 0.00 177.57 178.75 1kdn n GLY 117 N -1.27 -1.59 2.52 2.17 0.00 -1.26 -3.98 105.19 101.78 1kdn n GLY 117 Ca 0.07 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.47 -1.08 1.61 5.12 -0.79 -4.91 116.66 117.08 1kdn n ARG 118 Ca 0.06 -4.53 -0.17 0.00 -1.93 0.00 0.00 57.85 51.28 1kdn n ARG 118 Cb 0.40 -2.13 0.18 0.00 -1.16 0.00 0.00 32.46 29.76 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 0.59 3.36 0.00 0.55 0.23 -1.20 -4.34 115.26 114.45 1kdn n ASN 119 Ca 0.29 -3.69 0.00 0.00 -0.53 0.00 0.00 54.58 50.65 1kdn n ASN 119 Cb 0.43 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 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 -1.13 0.00 -3.83 1.53 -0.00 -1.26 -4.80 119.36 109.86 1kdn n ILE 120 Ca 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 63.14 1kdn n ILE 120 Cb 1.39 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.95 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 0.10 0.06 1.39 2.07 -1.26 -0.62 121.20 122.94 1kdn s ILE 121 Ca 0.00 -0.84 0.09 0.00 -1.41 0.00 0.00 60.65 58.49 1kdn s ILE 121 Cb 0.00 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1kdn s ILE 121 CO 0.00 -0.46 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.05 1kdn s HIS 122 N -2.47 2.39 -0.03 3.50 5.65 -0.14 -4.89 115.29 119.30 1kdn s HIS 122 Ca -0.06 -0.36 -0.03 0.00 0.25 0.00 0.00 55.06 54.86 1kdn s HIS 122 Cb -0.01 -1.39 0.01 0.00 -1.18 0.00 0.00 32.58 30.01 1kdn s HIS 122 CO -0.03 0.20 0.09 0.20 -0.65 0.00 0.00 174.74 174.55 1kdn s GLY 123 N -1.46 -0.06 0.46 1.59 0.00 -1.26 -1.66 107.32 104.93 1kdn s GLY 123 Ca 0.13 0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.86 1kdn s GLY 123 CO 0.04 0.23 1.34 1.44 0.00 0.00 0.00 173.10 176.15 1kdn n SER 124 N 3.08 2.85 -0.59 1.64 7.64 -0.87 -4.93 113.62 122.44 1kdn n SER 124 Ca -0.13 1.09 0.12 0.00 1.01 0.00 0.00 58.87 60.96 1kdn n SER 124 Cb 0.59 -1.55 0.22 0.00 -1.01 0.00 0.00 64.21 62.46 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 -0.16 2.02 -3.57 6.43 5.68 -1.26 -4.82 116.55 120.87 1kdn n ASP 125 Ca 0.07 -1.54 -0.09 0.00 -0.50 0.00 0.00 54.79 52.73 1kdn n ASP 125 Cb 0.41 0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.53 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 -2.23 -0.41 0.36 -1.12 1.04 -1.26 -4.94 113.70 105.14 1kdn s SER 126 Ca 0.27 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.59 1kdn s SER 126 Cb 0.20 0.56 0.70 0.00 0.10 0.00 0.00 66.02 67.57 1kdn s SER 126 CO 0.43 -0.95 1.92 0.58 0.98 0.00 0.00 173.24 176.20 1kdn h VAL 127 N 2.00 1.17 -0.24 5.02 2.07 -1.93 0.77 116.25 125.12 1kdn h VAL 127 Ca -0.27 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1kdn h VAL 127 Cb 1.27 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1kdn h VAL 127 CO 0.32 0.23 0.03 -0.33 0.02 0.00 0.00 177.57 177.84 1kdn h GLU 128 N 0.44 0.39 -0.56 1.57 3.07 -1.97 -0.21 114.58 117.31 1kdn h GLU 128 Ca 0.10 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1kdn h GLU 128 Cb 0.27 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1kdn h GLU 128 CO 0.01 0.53 -0.08 0.77 -1.40 0.00 0.00 179.01 178.84 1kdn h SER 129 N 0.19 1.05 -0.11 1.42 0.02 -1.86 -2.51 113.55 111.74 1kdn h SER 129 Ca 0.07 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1kdn h SER 129 Cb 0.34 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1kdn h SER 129 CO 0.01 1.14 0.07 0.00 -1.14 0.00 0.00 176.83 176.90 1kdn h ALA 130 N 0.95 0.14 -0.67 3.77 0.00 -0.61 0.44 119.26 123.28 1kdn h ALA 130 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1kdn h ALA 130 Cb 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1kdn h ALA 130 CO 0.04 -0.34 0.33 -0.91 0.00 0.00 0.00 179.25 178.37 1kdn h ASN 131 N 0.12 0.85 -0.05 0.00 2.35 -1.06 0.34 115.58 118.14 1kdn h ASN 131 Ca 0.04 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1kdn h ASN 131 Cb 0.03 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1kdn h ASN 131 CO -0.01 0.72 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.38 1kdn h ARG 132 N 0.95 0.10 -0.33 0.81 2.43 -1.16 -2.74 114.38 114.43 1kdn h ARG 132 Ca 0.23 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1kdn h ARG 132 Cb 0.08 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1kdn h ARG 132 CO -0.03 0.49 -0.26 0.93 -1.51 0.00 0.00 179.97 179.59 1kdn h GLU 133 N -0.30 0.68 -0.30 0.20 5.08 0.34 -2.56 114.58 117.72 1kdn h GLU 133 Ca 0.01 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1kdn h GLU 133 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1kdn h GLU 133 CO 0.01 0.87 0.18 0.82 -1.00 0.00 0.00 179.01 179.89 1kdn h ILE 134 N 0.59 1.11 0.00 3.13 2.04 -0.37 -1.88 117.51 122.12 1kdn h ILE 134 Ca 0.08 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1kdn h ILE 134 Cb 0.75 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1kdn h ILE 134 CO 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1kdn h ALA 135 N 1.07 1.02 0.00 1.87 0.00 -1.39 -1.53 119.26 120.31 1kdn h ALA 135 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1kdn h ALA 135 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1kdn h ALA 135 CO -0.02 0.02 -0.00 1.25 0.00 0.00 0.00 179.25 180.50 1kdn h LEU 136 N 0.00 -0.00 0.00 0.00 6.46 -0.94 -3.39 115.31 117.44 1kdn h LEU 136 Ca -0.00 -0.77 -0.17 0.00 -0.12 0.00 0.00 57.88 56.82 1kdn h LEU 136 Cb 0.35 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1kdn h LEU 136 CO 0.00 0.78 -1.14 -0.50 -0.62 0.00 0.00 178.44 176.96 1kdn h TRP 137 N -0.79 0.00 -4.54 1.25 4.06 -1.26 -3.48 115.95 111.20 1kdn h TRP 137 Ca -0.00 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.29 1kdn h TRP 137 Cb 0.78 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.64 1kdn h TRP 137 CO 0.20 0.65 -0.88 -0.06 -3.56 0.00 0.00 178.44 174.79 1kdn s PHE 138 N -2.87 2.14 0.45 0.49 0.40 -0.59 -5.12 117.98 112.87 1kdn s PHE 138 Ca -0.01 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1kdn s PHE 138 Cb 0.08 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 42.16 1kdn s PHE 138 CO 0.80 -0.04 0.88 0.15 0.70 0.00 0.00 175.22 177.71 1kdn s LYS 139 N -0.56 3.92 0.31 0.44 3.01 -1.26 -4.55 119.74 121.05 1kdn s LYS 139 Ca 0.09 0.77 0.07 0.00 -1.01 0.00 0.00 55.97 55.89 1kdn s LYS 139 Cb -0.09 -2.26 0.75 0.00 -1.01 0.00 0.00 37.83 35.22 1kdn s LYS 139 CO -0.01 -0.12 1.79 -1.35 0.51 0.00 0.00 175.35 176.18 1kdn h PRO 140 N 1.29 0.74 0.00 -1.68 0.11 -1.96 -2.24 132.00 128.25 1kdn h PRO 140 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1kdn h PRO 140 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1kdn h PRO 140 CO 0.63 0.49 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 1kdn n GLU 141 N -4.71 0.50 0.00 1.05 0.00 -1.26 -2.65 120.64 113.56 1kdn n GLU 141 Ca 0.22 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.55 1kdn n GLU 141 Cb 0.56 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.74 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 -1.18 0.87 -4.48 3.44 1.02 -0.84 -4.89 120.64 114.59 1kdn n GLU 142 Ca 0.14 -0.59 -0.34 0.00 -0.02 0.00 0.00 57.16 56.34 1kdn n GLU 142 Cb 0.15 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.54 3.38 0.48 -4.62 1.43 -1.09 -4.54 118.68 111.20 1kdn s LEU 143 Ca 0.21 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.12 1kdn s LEU 143 Cb 0.19 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 1kdn s LEU 143 CO 0.56 0.35 1.40 0.18 0.23 0.00 0.00 176.35 179.07 1kdn n LEU 144 N 2.33 5.23 -0.08 1.79 4.77 -0.09 -4.95 117.00 125.99 1kdn n LEU 144 Ca -0.18 1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.77 1kdn n LEU 144 Cb 0.53 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.93 1kdn n LEU 144 CO 0.28 -0.32 -1.03 0.41 -1.33 0.00 0.00 177.39 175.40 1kdn n THR 145 N -0.50 1.04 -3.47 -5.08 -1.04 -1.26 -4.86 114.28 99.11 1kdn n THR 145 Ca 0.07 -0.54 -0.43 0.00 -2.04 0.00 0.00 64.05 61.11 1kdn n THR 145 Cb 0.42 -0.83 -0.09 0.00 -1.82 0.00 0.00 70.33 68.02 1kdn n THR 145 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1kdn s GLU 146 N -2.36 2.86 -0.30 -2.82 -6.30 -1.26 -5.05 118.70 103.47 1kdn s GLU 146 Ca -0.15 -1.36 -0.09 0.00 -2.50 0.00 0.00 54.97 50.87 1kdn s GLU 146 Cb 0.05 -4.00 -0.01 0.00 0.00 0.00 0.00 34.13 30.17 1kdn s GLU 146 CO 0.53 -0.98 0.14 0.08 0.02 0.00 0.00 175.26 175.05 1kdn s VAL 147 N 1.57 4.57 -0.52 3.70 1.01 -1.26 -5.03 120.40 124.44 1kdn s VAL 147 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1kdn s VAL 147 Cb -0.23 -3.28 0.13 0.00 0.00 0.00 0.00 36.38 33.00 1kdn s VAL 147 CO 0.05 0.13 0.27 -0.54 0.00 0.00 0.00 175.10 175.02 1kdn s LYS 148 N 1.62 2.05 0.68 2.72 3.01 -1.26 -5.11 119.74 123.45 1kdn s LYS 148 Ca 0.05 -2.49 -0.11 0.00 -1.01 0.00 0.00 55.97 52.41 1kdn s LYS 148 Cb -0.17 -3.41 -0.00 0.00 -1.01 0.00 0.00 37.83 33.25 1kdn s LYS 148 CO 0.06 -1.10 1.07 -1.25 0.51 0.00 0.00 175.35 174.64 1kdn s PRO 149 N -0.06 3.09 0.05 -1.68 0.04 -1.26 -4.97 135.00 130.21 1kdn s PRO 149 Ca 0.16 0.59 -0.35 0.00 0.04 0.00 0.00 61.00 61.44 1kdn s PRO 149 Cb -0.24 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 1kdn s PRO 149 CO -0.02 -0.90 1.60 -1.71 0.04 0.00 0.00 177.00 176.01 1kdn n ASN 150 N -2.94 2.76 0.00 6.66 2.85 -1.26 -4.82 115.26 118.51 1kdn n ASN 150 Ca 0.07 1.07 0.05 0.00 -0.11 0.00 0.00 54.58 55.65 1kdn n ASN 150 Cb 0.56 -1.33 0.20 0.00 1.24 0.00 0.00 39.78 40.45 1kdn n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kdn n PRO 151 N 4.05 0.00 0.00 1.20 -0.04 -1.26 -1.02 135.00 137.94 1kdn n PRO 151 Ca 0.19 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 1kdn n PRO 151 Cb 0.25 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.50 1.20 0.07 3.54 3.02 -1.26 -4.23 115.26 116.10 1kdn n ASN 152 Ca 0.02 -1.07 -0.15 0.00 -0.03 0.00 0.00 54.58 53.36 1kdn n ASN 152 Cb 0.11 0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 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 1.57 0.33 -8.82 3.41 3.38 -1.44 -3.47 115.31 110.27 1kdn h LEU 153 Ca 0.00 -0.41 -0.64 0.00 0.09 0.00 0.00 57.88 56.92 1kdn h LEU 153 Cb 0.52 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 40.94 1kdn h LEU 153 CO 0.00 1.33 -0.86 -0.31 0.09 0.00 0.00 178.44 178.70 1kdn s TYR 154 N -2.64 2.13 -2.17 1.13 2.02 -1.26 -5.12 117.35 111.43 1kdn s TYR 154 Ca -0.06 -0.39 0.31 0.00 -0.37 0.00 0.00 57.07 56.56 1kdn s TYR 154 Cb 0.07 -1.16 1.62 0.00 -0.40 0.00 0.00 41.96 42.09 1kdn s TYR 154 CO 0.86 0.28 2.06 -1.91 -1.57 0.00 0.00 175.55 175.27