#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf n SER 2 N 0.00 -1.61 -4.67 1.61 2.88 -1.26 -4.75 113.62 105.82 2dnf n SER 2 Ca 0.00 -1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 56.01 2dnf n SER 2 Cb 0.00 -1.43 -0.03 0.00 -0.75 0.00 0.00 64.21 62.00 2dnf n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnf s SER 3 N -3.02 6.44 -0.42 -3.46 0.15 -1.26 -4.92 113.70 107.21 2dnf s SER 3 Ca 0.74 2.70 0.07 0.00 0.70 0.00 0.00 55.95 60.16 2dnf s SER 3 Cb -0.43 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.57 2dnf s SER 3 CO 0.92 -1.04 0.58 0.61 1.20 0.00 0.00 173.24 175.51 2dnf n GLY 4 N 4.44 1.90 2.07 9.45 0.00 -1.26 -4.97 105.19 116.82 2dnf n GLY 4 Ca 0.19 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2dnf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnf n SER 5 N 1.79 6.90 -4.14 1.61 2.88 -1.26 -4.85 113.62 116.55 2dnf n SER 5 Ca 0.20 -3.32 -0.34 0.00 -1.33 0.00 0.00 58.87 54.07 2dnf n SER 5 Cb 0.55 -1.04 -0.14 0.00 -0.75 0.00 0.00 64.21 62.83 2dnf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnf s SER 6 N -0.50 4.74 0.00 -3.46 0.15 -1.26 -5.04 113.70 108.34 2dnf s SER 6 Ca 0.44 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2dnf s SER 6 Cb 0.34 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2dnf s SER 6 CO -0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dnf n GLY 7 N 4.57 3.59 2.73 9.45 0.00 -1.26 -5.15 105.19 119.13 2dnf n GLY 7 Ca -0.14 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 2dnf n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dnf s ARG 8 N 4.48 0.59 -0.04 1.61 0.52 -1.26 -5.14 118.95 119.71 2dnf s ARG 8 Ca 0.00 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 54.89 2dnf s ARG 8 Cb 0.00 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 2dnf s ARG 8 CO 0.00 -0.57 0.18 0.15 0.02 0.00 0.00 175.30 175.08 2dnf s LYS 9 N 1.91 3.46 0.97 3.54 1.02 -1.26 -5.10 119.74 124.28 2dnf s LYS 9 Ca 0.01 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2dnf s LYS 9 Cb -0.16 -3.12 0.17 0.00 -0.52 0.00 0.00 37.83 34.20 2dnf s LYS 9 CO -0.07 0.70 1.09 -1.25 -0.92 0.00 0.00 175.35 174.90 2dnf s PRO 10 N -1.68 0.67 0.22 -1.68 0.04 -1.26 -4.94 135.00 126.38 2dnf s PRO 10 Ca 0.24 0.61 -0.32 0.00 0.04 0.00 0.00 61.00 61.58 2dnf s PRO 10 Cb -0.13 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 2dnf s PRO 10 CO 0.15 -2.59 1.60 1.47 0.04 0.00 0.00 177.00 177.67 2dnf n LEU 11 N -4.09 3.69 -3.27 -3.56 -0.00 -1.26 -4.95 117.00 103.56 2dnf n LEU 11 Ca 0.06 1.10 -0.25 0.00 -0.00 0.00 0.00 56.01 56.92 2dnf n LEU 11 Cb 0.57 -1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 42.40 2dnf n LEU 11 CO 0.57 -0.07 -0.19 0.00 -0.00 0.00 0.00 177.39 177.70 2dnf n GLN 12 N 3.06 1.25 -2.51 1.47 6.02 -1.26 -5.11 117.38 120.29 2dnf n GLN 12 Ca 0.14 -3.66 -0.35 0.00 -0.01 0.00 0.00 57.00 53.12 2dnf n GLN 12 Cb 0.33 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 2dnf n GLN 12 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2dnf s GLU 13 N -1.55 3.94 0.93 -1.09 2.02 -1.26 -4.63 118.70 117.06 2dnf s GLU 13 Ca 0.36 1.47 -0.12 0.00 0.02 0.00 0.00 54.97 56.70 2dnf s GLU 13 Cb 0.16 -2.31 0.15 0.00 0.10 0.00 0.00 34.13 32.23 2dnf s GLU 13 CO -0.08 -0.33 1.09 -1.25 0.02 0.00 0.00 175.26 174.71 2dnf s PRO 14 N -2.88 0.97 -0.03 0.39 0.04 -1.26 -4.65 135.00 127.59 2dnf s PRO 14 Ca 0.63 0.73 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2dnf s PRO 14 Cb -0.20 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2dnf s PRO 14 CO 0.25 -2.41 -0.20 0.00 0.04 0.00 0.00 177.00 174.68 2dnf s THR 16 N -0.32 4.37 0.19 0.00 2.01 -1.26 -0.66 115.64 119.96 2dnf s THR 16 Ca 0.04 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 61.14 2dnf s THR 16 Cb -0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2dnf s THR 16 CO 0.00 -0.28 -0.23 0.27 -0.69 0.00 0.00 174.62 173.69 2dnf s ILE 17 N 1.50 2.27 -0.17 1.82 -4.36 -0.47 -0.65 121.20 121.14 2dnf s ILE 17 Ca 0.01 -2.01 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2dnf s ILE 17 Cb -0.20 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 2dnf s ILE 17 CO 0.05 -0.14 0.04 -0.36 0.24 0.00 0.00 174.94 174.76 2dnf s PHE 18 N -1.72 3.20 0.21 1.37 0.40 -0.20 -0.39 117.98 120.85 2dnf s PHE 18 Ca 0.20 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 2dnf s PHE 18 Cb -0.08 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 2dnf s PHE 18 CO 0.09 0.14 0.17 -0.51 0.70 0.00 0.00 175.22 175.81 2dnf s LEU 19 N 0.25 3.80 -0.05 -0.37 2.01 -0.81 0.19 118.68 123.69 2dnf s LEU 19 Ca 0.02 -0.20 -0.05 0.00 0.01 0.00 0.00 54.13 53.91 2dnf s LEU 19 Cb -0.13 -2.37 0.01 0.00 0.01 0.00 0.00 46.19 43.71 2dnf s LEU 19 CO 0.01 0.01 0.14 -0.63 1.01 0.00 0.00 176.35 176.89 2dnf s ILE 20 N -1.96 0.00 0.04 -0.59 1.01 -0.18 -0.77 121.20 118.77 2dnf s ILE 20 Ca 0.32 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 2dnf s ILE 20 Cb -0.09 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.09 2dnf s ILE 20 CO 0.24 -0.02 1.54 0.00 0.00 0.00 0.00 174.94 176.70 2dnf s ALA 21 N -0.00 3.64 0.11 9.38 0.00 -1.26 -0.64 121.76 132.99 2dnf s ALA 21 Ca -0.01 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 2dnf s ALA 21 Cb -0.01 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 2dnf s ALA 21 CO 0.00 -1.00 1.61 1.21 0.00 0.00 0.00 175.76 177.58 2dnf s ASN 22 N 2.12 6.61 0.00 0.00 2.47 -1.17 -1.66 114.94 123.31 2dnf s ASN 22 Ca 0.69 2.53 0.00 0.00 0.42 0.00 0.00 52.86 56.50 2dnf s ASN 22 Cb -0.36 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.86 2dnf s ASN 22 CO 0.30 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 2dnf n GLY 23 N 3.88 0.89 3.48 1.21 0.00 -1.26 -5.01 105.19 108.37 2dnf n GLY 23 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2dnf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnf s ASP 24 N -3.00 5.76 -0.19 1.61 1.11 -0.66 -4.94 116.67 116.36 2dnf s ASP 24 Ca 0.00 -0.45 0.15 0.00 0.18 0.00 0.00 52.55 52.43 2dnf s ASP 24 Cb 0.00 -2.06 0.44 0.00 1.07 0.00 0.00 42.92 42.38 2dnf s ASP 24 CO 0.00 -0.20 1.33 0.18 1.18 0.00 0.00 175.17 177.66 2dnf n LEU 25 N 5.03 3.37 -0.01 1.23 7.99 -1.26 -4.61 117.00 128.74 2dnf n LEU 25 Ca -0.13 -3.29 -0.02 0.00 -0.01 0.00 0.00 56.01 52.56 2dnf n LEU 25 Cb 0.50 -0.53 -0.01 0.00 -0.11 0.00 0.00 43.42 43.27 2dnf n LEU 25 CO 0.35 0.88 -0.56 -0.38 -1.51 0.00 0.00 177.39 176.16 2dnf n ILE 26 N -0.98 0.11 -3.11 -0.08 -0.00 -1.26 -4.94 119.36 109.10 2dnf n ILE 26 Ca 0.22 -0.04 -0.39 0.00 -0.00 0.00 0.00 62.75 62.54 2dnf n ILE 26 Cb 0.83 -0.84 -0.06 0.00 -0.00 0.00 0.00 39.64 39.57 2dnf n ILE 26 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2dnf s ASN 27 N -4.47 7.16 0.90 4.38 0.01 -1.26 -5.06 114.94 116.60 2dnf s ASN 27 Ca -0.03 1.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 2dnf s ASN 27 Cb 0.01 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.24 2dnf s ASN 27 CO 0.04 0.16 0.00 -0.81 -1.51 0.00 0.00 177.10 174.98 2dnf n PRO 28 N 2.18 -0.82 -2.41 -0.60 -0.04 -1.26 -4.82 135.00 127.23 2dnf n PRO 28 Ca -0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 2dnf n PRO 28 Cb 0.50 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.10 2dnf n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dnf s ALA 29 N -2.98 3.28 -0.19 0.55 0.00 -1.26 -4.71 121.76 116.46 2dnf s ALA 29 Ca 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.29 2dnf s ALA 29 Cb 0.00 -2.20 0.06 0.00 0.00 0.00 0.00 23.12 20.98 2dnf s ALA 29 CO 0.00 -1.80 0.05 -1.12 0.00 0.00 0.00 175.76 172.90 2dnf s SER 30 N -4.81 2.78 -0.46 0.00 0.01 0.05 -4.90 113.70 106.38 2dnf s SER 30 Ca 0.69 -0.79 -0.27 0.00 1.31 0.00 0.00 55.95 56.89 2dnf s SER 30 Cb -0.04 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 2dnf s SER 30 CO 0.47 -0.32 1.90 -0.60 0.41 0.00 0.00 173.24 175.10 2dnf s ARG 31 N 1.94 2.91 -0.04 12.44 3.52 -1.26 -1.93 118.95 136.53 2dnf s ARG 31 Ca 0.00 1.11 0.06 0.00 -0.13 0.00 0.00 55.73 56.77 2dnf s ARG 31 Cb -0.17 -4.32 -0.01 0.00 -1.56 0.00 0.00 34.95 28.89 2dnf s ARG 31 CO -0.09 -2.37 -0.23 -1.17 -0.81 0.00 0.00 175.30 170.63 2dnf s LEU 32 N 8.37 2.03 -0.07 -0.88 2.96 0.47 -4.96 118.68 126.60 2dnf s LEU 32 Ca 0.77 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 54.13 2dnf s LEU 32 Cb -0.18 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 2dnf s LEU 32 CO 0.28 0.24 0.26 -0.22 -1.32 0.00 0.00 176.35 175.59 2dnf s LEU 33 N -0.26 4.42 -0.20 -0.68 2.96 -1.26 -1.37 118.68 122.29 2dnf s LEU 33 Ca 0.01 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2dnf s LEU 33 Cb -0.11 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.31 2dnf s LEU 33 CO 0.02 0.36 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.66 2dnf s ILE 34 N -0.97 1.73 0.44 6.68 1.01 0.16 -4.96 121.20 125.29 2dnf s ILE 34 Ca 0.19 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 2dnf s ILE 34 Cb -0.14 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 2dnf s ILE 34 CO 0.08 0.19 1.17 -2.16 0.00 0.00 0.00 174.94 174.22 2dnf s PRO 35 N 1.36 3.87 0.18 2.79 0.04 -1.26 -2.63 135.00 139.34 2dnf s PRO 35 Ca -0.01 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 2dnf s PRO 35 Cb -0.16 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 31.97 2dnf s PRO 35 CO -0.08 -0.47 1.60 -0.09 0.04 0.00 0.00 177.00 177.99 2dnf h ARG 36 N 2.27 -0.18 -0.66 4.56 9.65 -1.82 0.66 114.38 128.86 2dnf h ARG 36 Ca -0.49 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 58.59 2dnf h ARG 36 Cb 1.24 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.84 2dnf h ARG 36 CO 0.61 -0.12 0.88 1.57 2.80 0.00 0.00 179.97 185.71 2dnf h LYS 37 N -0.19 0.00 0.01 0.20 2.10 -1.93 0.18 116.57 116.94 2dnf h LYS 37 Ca 0.21 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.47 2dnf h LYS 37 Cb 0.54 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 2dnf h LYS 37 CO -0.61 0.00 -2.45 2.41 -2.00 0.00 0.00 179.45 176.80 2dnf n THR 38 N -3.31 1.51 -0.31 0.07 -1.04 0.19 -4.37 114.28 107.03 2dnf n THR 38 Ca 0.14 -0.56 0.15 0.00 -2.04 0.00 0.00 64.05 61.75 2dnf n THR 38 Cb 1.09 -1.49 0.33 0.00 -1.82 0.00 0.00 70.33 68.44 2dnf n THR 38 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dnf h LEU 39 N -0.10 0.19 -0.94 -4.42 3.38 0.26 0.42 115.31 114.12 2dnf h LEU 39 Ca -0.58 0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2dnf h LEU 39 Cb 1.88 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.78 2dnf h LEU 39 CO -0.11 -0.11 0.62 -0.55 0.09 0.00 0.00 178.44 178.38 2dnf h ASN 40 N 0.29 1.06 -2.52 -0.43 7.08 -1.63 -3.36 115.58 116.06 2dnf h ASN 40 Ca 0.59 -0.02 -0.66 0.00 -3.08 0.00 0.00 56.30 53.13 2dnf h ASN 40 Cb 1.20 -0.26 -0.16 0.00 -2.08 0.00 0.00 38.32 37.02 2dnf h ASN 40 CO -0.61 0.76 0.66 -1.10 -2.08 0.00 0.00 177.43 175.06 2dnf s GLN 41 N -6.12 3.31 0.50 4.14 -1.52 0.15 -4.87 119.66 115.25 2dnf s GLN 41 Ca -0.13 -1.22 0.17 0.00 -1.95 0.00 0.00 55.36 52.22 2dnf s GLN 41 Cb 0.17 -4.53 1.22 0.00 -0.22 0.00 0.00 33.01 29.65 2dnf s GLN 41 CO 0.81 -1.80 2.09 2.35 -0.25 0.00 0.00 175.29 178.48 2dnf h TRP 42 N 9.28 0.12 0.00 0.91 -0.00 -1.73 1.00 115.95 125.52 2dnf h TRP 42 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 2dnf h TRP 42 Cb 1.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 30.17 2dnf h TRP 42 CO 1.05 0.07 -0.08 -0.44 -0.00 0.00 0.00 178.44 179.04 2dnf h ASP 43 N 0.12 0.00 0.56 2.65 3.32 -1.90 -2.97 116.42 118.21 2dnf h ASP 43 Ca 0.11 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.87 2dnf h ASP 43 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2dnf h ASP 43 CO -0.01 0.08 -1.49 0.45 -1.72 0.00 0.00 179.24 176.54 2dnf h HIS 44 N 0.00 0.23 -0.66 4.55 3.86 -1.10 -3.20 115.15 118.83 2dnf h HIS 44 Ca -0.00 -0.17 -0.08 0.00 -1.16 0.00 0.00 60.37 58.96 2dnf h HIS 44 Cb 0.65 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 2dnf h HIS 44 CO 0.00 1.22 0.10 0.28 0.86 0.00 0.00 177.93 180.39 2dnf h VAL 45 N 0.03 1.26 -0.47 2.45 2.07 -1.27 -2.82 116.25 117.52 2dnf h VAL 45 Ca -0.21 -1.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.13 2dnf h VAL 45 Cb 1.96 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2dnf h VAL 45 CO 0.13 0.39 -0.23 -0.07 0.02 0.00 0.00 177.57 177.81 2dnf h LEU 46 N 1.02 1.00 -1.97 2.57 3.38 -1.66 0.16 115.31 119.80 2dnf h LEU 46 Ca 0.20 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2dnf h LEU 46 Cb 0.45 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dnf h LEU 46 CO 0.01 1.17 0.06 -0.61 0.09 0.00 0.00 178.44 179.17 2dnf h GLN 47 N 0.83 0.04 0.08 1.13 5.75 -1.51 -1.37 115.11 120.05 2dnf h GLN 47 Ca 0.11 -0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.26 2dnf h GLN 47 Cb 0.80 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2dnf h GLN 47 CO 0.07 0.02 -1.96 -1.33 -2.65 0.00 0.00 178.83 172.98 2dnf n MET 48 N -4.52 0.71 -0.23 1.69 2.81 -1.07 -4.05 117.12 112.46 2dnf n MET 48 Ca -0.01 0.26 0.02 0.00 -1.81 0.00 0.00 57.70 56.15 2dnf n MET 48 Cb 0.15 -1.71 0.25 0.00 -0.71 0.00 0.00 33.22 31.20 2dnf n MET 48 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2dnf h VAL 49 N 0.04 1.15 -0.28 2.03 2.07 -0.25 -1.66 116.25 119.36 2dnf h VAL 49 Ca -0.40 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2dnf h VAL 49 Cb 2.03 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2dnf h VAL 49 CO 0.07 0.18 -0.07 0.74 0.02 0.00 0.00 177.57 178.52 2dnf h THR 50 N 1.01 1.20 -0.18 2.57 2.02 -1.43 0.32 112.91 118.42 2dnf h THR 50 Ca 0.30 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.69 2dnf h THR 50 Cb -0.02 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2dnf h THR 50 CO -0.08 0.28 0.21 -0.33 0.37 0.00 0.00 175.52 175.97 2dnf h GLU 51 N 0.42 0.00 0.00 6.66 5.08 -1.44 -2.66 114.58 122.63 2dnf h GLU 51 Ca 0.09 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.10 2dnf h GLU 51 Cb 0.38 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2dnf h GLU 51 CO 0.02 0.00 -2.28 1.63 -1.00 0.00 0.00 179.01 177.38 2dnf n LYS 52 N -3.75 0.56 -3.67 2.33 4.76 -0.82 -4.80 118.16 112.76 2dnf n LYS 52 Ca 0.02 0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 55.23 2dnf n LYS 52 Cb 0.33 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 32.00 2dnf n LYS 52 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dnf s ILE 53 N -2.45 4.03 -0.70 -0.18 -1.09 0.04 -5.03 121.20 115.82 2dnf s ILE 53 Ca -0.31 -3.26 -0.26 0.00 -2.23 0.00 0.00 60.65 54.60 2dnf s ILE 53 Cb 0.08 -3.57 0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2dnf s ILE 53 CO 0.51 -0.96 1.17 -0.89 -1.23 0.00 0.00 174.94 173.54 2dnf s THR 54 N -0.50 3.94 0.18 2.92 2.01 -1.14 -4.43 115.64 118.62 2dnf s THR 54 Ca 0.21 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2dnf s THR 54 Cb -0.15 -4.83 -0.08 0.00 0.01 0.00 0.00 72.50 67.45 2dnf s THR 54 CO -0.07 -1.69 1.18 -0.76 -0.69 0.00 0.00 174.62 172.59 2dnf s LEU 55 N 5.14 4.46 0.32 4.42 1.43 -0.78 -4.91 118.68 128.76 2dnf s LEU 55 Ca 0.31 2.21 0.10 0.00 -1.03 0.00 0.00 54.13 55.72 2dnf s LEU 55 Cb -0.11 -3.61 0.93 0.00 0.03 0.00 0.00 46.19 43.43 2dnf s LEU 55 CO 0.14 -0.35 1.71 -0.09 0.23 0.00 0.00 176.35 177.99 2dnf h ARG 56 N 5.21 0.48 -0.05 1.70 9.65 -1.95 0.72 114.38 130.15 2dnf h ARG 56 Ca -0.44 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.32 2dnf h ARG 56 Cb 1.21 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 2dnf h ARG 56 CO 0.74 0.32 -0.37 0.77 2.80 0.00 0.00 179.97 184.22 2dnf h SER 57 N 0.50 0.10 0.00 -3.80 0.02 -2.01 -3.49 113.55 104.87 2dnf h SER 57 Ca 0.66 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 2dnf h SER 57 Cb 1.33 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2dnf h SER 57 CO -0.52 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.25 2dnf n GLY 58 N -0.38 -0.26 3.94 -3.77 0.00 0.25 -5.07 105.19 99.91 2dnf n GLY 58 Ca -0.02 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 2dnf n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf s ALA 59 N -1.00 4.42 0.07 4.61 0.00 -1.26 -1.86 121.76 126.74 2dnf s ALA 59 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.06 2dnf s ALA 59 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 2dnf s ALA 59 CO 0.00 -0.50 0.51 0.54 0.00 0.00 0.00 175.76 176.31 2dnf s VAL 60 N -2.62 4.87 -0.00 0.00 0.11 -1.26 -4.39 120.40 117.10 2dnf s VAL 60 Ca 0.48 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2dnf s VAL 60 Cb -0.04 -3.79 -0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2dnf s VAL 60 CO 0.29 0.48 0.01 1.41 -3.33 0.00 0.00 175.10 173.96 2dnf n HIS 61 N 1.50 0.00 -4.05 1.54 8.25 -0.83 -4.80 115.22 116.83 2dnf n HIS 61 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.26 2dnf n HIS 61 Cb 0.52 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 2dnf n HIS 61 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2dnf s ARG 62 N -1.89 1.32 0.20 -0.41 1.70 -0.18 -5.04 118.95 114.65 2dnf s ARG 62 Ca -0.00 -1.34 0.10 0.00 -0.47 0.00 0.00 55.73 54.02 2dnf s ARG 62 Cb 0.00 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2dnf s ARG 62 CO 0.01 -0.50 -0.19 -0.51 -1.08 0.00 0.00 175.30 173.03 2dnf s LEU 63 N -3.04 2.49 -0.16 -1.89 2.01 -1.26 -1.31 118.68 115.52 2dnf s LEU 63 Ca 0.25 -0.92 -0.09 0.00 0.01 0.00 0.00 54.13 53.38 2dnf s LEU 63 Cb 0.03 -0.91 0.05 0.00 0.01 0.00 0.00 46.19 45.37 2dnf s LEU 63 CO 0.07 -0.02 0.38 -0.31 1.01 0.00 0.00 176.35 177.48 2dnf s TYR 64 N -2.23 -0.53 1.05 0.29 1.51 -0.48 -2.88 117.35 114.07 2dnf s TYR 64 Ca 0.20 1.17 -0.16 0.00 -1.01 0.00 0.00 57.07 57.27 2dnf s TYR 64 Cb -0.05 0.21 0.22 0.00 -0.11 0.00 0.00 41.96 42.24 2dnf s TYR 64 CO 0.09 -0.31 1.20 0.95 -1.11 0.00 0.00 175.55 176.37 2dnf s THR 65 N 1.23 1.84 -0.76 -0.71 -4.23 0.92 0.06 115.64 113.99 2dnf s THR 65 Ca -0.08 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.64 2dnf s THR 65 Cb -0.08 -2.75 0.21 0.00 1.34 0.00 0.00 72.50 71.23 2dnf s THR 65 CO -0.10 0.00 1.67 0.18 -0.54 0.00 0.00 174.62 175.83 2dnf n LEU 66 N -4.16 0.38 0.01 4.79 4.32 -1.26 -2.26 117.00 118.81 2dnf n LEU 66 Ca 0.13 0.57 0.11 0.00 -0.02 0.00 0.00 56.01 56.80 2dnf n LEU 66 Cb 0.59 -0.50 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 2dnf n LEU 66 CO 0.48 -0.32 0.01 -1.84 -1.22 0.00 0.00 177.39 174.50 2dnf n GLU 67 N -1.90 0.12 0.00 3.23 0.28 -1.26 -4.92 120.64 116.19 2dnf n GLU 67 Ca 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2dnf n GLU 67 Cb 0.26 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.60 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnf n GLY 68 N 1.45 1.15 3.71 -1.84 0.00 -0.96 -5.09 105.19 103.61 2dnf n GLY 68 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2dnf n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dnf n LYS 69 N -0.96 0.99 -4.87 1.61 3.00 -1.26 -4.63 118.16 112.04 2dnf n LYS 69 Ca 0.00 0.39 -0.33 0.00 -0.00 0.00 0.00 58.31 58.38 2dnf n LYS 69 Cb 0.00 -2.47 -0.13 0.00 0.00 0.00 0.00 35.03 32.43 2dnf n LYS 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2dnf s LEU 70 N -4.10 2.74 -0.48 3.14 2.96 -1.26 -0.06 118.68 121.63 2dnf s LEU 70 Ca 0.81 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 2dnf s LEU 70 Cb -0.38 -1.56 0.13 0.00 0.50 0.00 0.00 46.19 44.88 2dnf s LEU 70 CO 0.42 0.34 0.29 -0.69 -1.32 0.00 0.00 176.35 175.39 2dnf s VAL 71 N -0.74 3.54 -1.16 1.68 1.01 -1.14 -4.92 120.40 118.66 2dnf s VAL 71 Ca 0.12 -2.26 0.17 0.00 0.00 0.00 0.00 61.98 60.01 2dnf s VAL 71 Cb -0.11 -3.38 0.21 0.00 0.00 0.00 0.00 36.38 33.10 2dnf s VAL 71 CO 0.01 -0.75 1.54 -0.62 0.00 0.00 0.00 175.10 175.27 2dnf n GLU 72 N 4.34 0.10 -3.58 2.72 1.02 -1.26 -4.22 120.64 119.75 2dnf n GLU 72 Ca -0.00 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 2dnf n GLU 72 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 2dnf n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dnf s SER 73 N -2.84 -0.58 0.36 1.62 0.15 -1.26 -4.95 113.70 106.19 2dnf s SER 73 Ca 0.11 0.85 0.14 0.00 0.70 0.00 0.00 55.95 57.75 2dnf s SER 73 Cb 0.11 0.76 0.76 0.00 -1.71 0.00 0.00 66.02 65.95 2dnf s SER 73 CO 0.30 -0.39 1.33 1.23 1.20 0.00 0.00 173.24 176.91 2dnf h GLY 74 N 3.57 0.00 0.50 9.45 0.00 -1.86 -1.70 103.07 113.02 2dnf h GLY 74 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.20 2dnf h GLY 74 CO 0.25 0.00 0.63 0.00 0.00 0.00 0.00 176.54 177.41 2dnf h ALA 75 N 1.17 2.16 0.03 3.60 0.00 -1.95 0.39 119.26 124.66 2dnf h ALA 75 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2dnf h ALA 75 Cb 0.64 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2dnf h ALA 75 CO 0.00 -0.86 -1.92 0.39 0.00 0.00 0.00 179.25 176.87 2dnf n GLU 76 N -3.39 0.67 -1.49 0.00 1.02 -0.64 -4.95 120.64 111.86 2dnf n GLU 76 Ca 0.09 0.24 -0.54 0.00 -0.02 0.00 0.00 57.16 56.93 2dnf n GLU 76 Cb 0.80 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 2dnf n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2dnf n LEU 77 N -3.13 -0.07 -4.81 -4.62 4.77 0.14 -4.95 117.00 104.32 2dnf n LEU 77 Ca -0.24 1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 56.66 2dnf n LEU 77 Cb 1.06 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2dnf n LEU 77 CO 0.43 -2.11 -0.18 -0.70 -1.33 0.00 0.00 177.39 173.50 2dnf s GLU 78 N -0.36 2.90 -0.91 3.23 2.56 -1.26 -5.05 118.70 119.80 2dnf s GLU 78 Ca 0.79 -1.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.51 2dnf s GLU 78 Cb -1.08 -2.56 0.10 0.00 2.00 0.00 0.00 34.13 32.58 2dnf s GLU 78 CO 0.56 0.41 1.20 1.21 -0.56 0.00 0.00 175.26 178.08 2dnf s ASN 79 N -3.74 6.52 0.00 -1.70 3.84 -1.26 -3.77 114.94 114.82 2dnf s ASN 79 Ca 0.33 -1.69 0.00 0.00 0.21 0.00 0.00 52.86 51.71 2dnf s ASN 79 Cb -0.08 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 2dnf s ASN 79 CO 0.25 -1.27 0.00 0.61 -2.79 0.00 0.00 177.10 173.90 2dnf n GLY 80 N 5.87 1.30 3.69 1.21 0.00 0.18 -4.88 105.19 112.56 2dnf n GLY 80 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2dnf n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dnf s GLN 81 N -0.22 2.08 0.01 1.61 -0.21 -1.25 -4.99 119.66 116.70 2dnf s GLN 81 Ca 0.00 -2.24 0.04 0.00 0.02 0.00 0.00 55.36 53.18 2dnf s GLN 81 Cb 0.00 -1.61 -0.03 0.00 1.00 0.00 0.00 33.01 32.37 2dnf s GLN 81 CO 0.00 -0.20 -0.07 -0.06 -2.12 0.00 0.00 175.29 172.83 2dnf s PHE 82 N -2.78 2.86 0.09 0.91 0.40 -1.26 -1.03 117.98 117.17 2dnf s PHE 82 Ca 0.22 -0.06 -0.10 0.00 -0.60 0.00 0.00 56.93 56.39 2dnf s PHE 82 Cb 0.06 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2dnf s PHE 82 CO 0.11 0.37 0.23 0.71 0.70 0.00 0.00 175.22 177.34 2dnf s TYR 83 N -1.01 0.09 -0.06 0.36 1.51 0.13 -4.43 117.35 113.94 2dnf s TYR 83 Ca 0.17 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2dnf s TYR 83 Cb -0.11 -0.01 -0.02 0.00 -0.11 0.00 0.00 41.96 41.71 2dnf s TYR 83 CO 0.08 -0.57 -0.16 0.08 -1.11 0.00 0.00 175.55 173.87 2dnf s VAL 84 N -3.84 2.91 -0.45 0.71 1.01 0.11 -1.01 120.40 119.85 2dnf s VAL 84 Ca 0.04 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 2dnf s VAL 84 Cb 0.04 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2dnf s VAL 84 CO -0.11 0.58 0.69 0.00 0.00 0.00 0.00 175.10 176.26 2dnf s ALA 85 N -0.49 3.32 -0.19 5.51 0.00 0.19 -1.38 121.76 128.73 2dnf s ALA 85 Ca 0.06 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 2dnf s ALA 85 Cb -0.12 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2dnf s ALA 85 CO 0.02 -1.86 0.04 0.08 0.00 0.00 0.00 175.76 174.04 2dnf s VAL 86 N 2.98 4.54 0.00 0.00 1.01 -0.43 -3.02 120.40 125.49 2dnf s VAL 86 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2dnf s VAL 86 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2dnf s VAL 86 CO 0.20 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2dnf n GLY 87 N 3.75 0.65 0.52 4.51 0.00 -1.26 -1.01 105.19 112.34 2dnf n GLY 87 Ca -0.17 -1.84 0.28 0.00 0.00 0.00 0.00 46.02 44.30 2dnf n GLY 87 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dnf h ARG 88 N 0.00 0.00 -7.56 1.61 2.47 -1.95 -3.40 114.38 105.55 2dnf h ARG 88 Ca 0.00 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.27 2dnf h ARG 88 Cb 0.00 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.47 2dnf h ARG 88 CO 0.00 0.00 0.31 -0.51 0.56 0.00 0.00 179.97 180.33 2dnf s ASP 89 N -3.74 2.96 0.87 7.04 1.11 -1.26 -5.07 116.67 118.57 2dnf s ASP 89 Ca -0.03 0.71 -0.08 0.00 0.18 0.00 0.00 52.55 53.33 2dnf s ASP 89 Cb 0.15 -1.08 0.16 0.00 1.07 0.00 0.00 42.92 43.22 2dnf s ASP 89 CO 0.50 -2.87 1.01 0.29 1.18 0.00 0.00 175.17 175.29 2dnf n LYS 90 N -3.93 -0.64 -2.92 8.23 4.01 -1.26 -4.97 118.16 116.67 2dnf n LYS 90 Ca 0.10 -1.99 -0.42 0.00 -0.51 0.00 0.00 58.31 55.49 2dnf n LYS 90 Cb 0.59 -0.91 -0.05 0.00 -0.51 0.00 0.00 35.03 34.16 2dnf n LYS 90 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2dnf s PHE 91 N -3.10 3.08 -1.21 2.13 5.36 -1.26 -4.82 117.98 118.15 2dnf s PHE 91 Ca 0.61 0.53 -0.13 0.00 -0.96 0.00 0.00 56.93 56.98 2dnf s PHE 91 Cb -0.02 -3.52 0.17 0.00 -0.34 0.00 0.00 43.02 39.31 2dnf s PHE 91 CO 0.42 -0.81 1.45 1.63 -1.46 0.00 0.00 175.22 176.45 2dnf n LYS 92 N 6.57 3.39 -1.32 10.12 5.02 -1.26 -4.98 118.16 135.70 2dnf n LYS 92 Ca 0.04 -3.85 -0.56 0.00 -2.02 0.00 0.00 58.31 51.92 2dnf n LYS 92 Cb 0.48 -3.03 -0.10 0.00 -0.02 0.00 0.00 35.03 32.37 2dnf n LYS 92 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2dnf n LYS 93 N 5.49 0.00 -3.76 1.97 4.81 -1.26 -4.63 118.16 120.78 2dnf n LYS 93 Ca 0.37 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.69 2dnf n LYS 93 Cb 0.42 -1.32 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 2dnf n LYS 93 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dnf s LEU 94 N 3.94 0.93 -0.50 3.14 1.43 -1.26 -5.11 118.68 121.25 2dnf s LEU 94 Ca 0.99 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.61 2dnf s LEU 94 Cb -1.32 1.31 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 2dnf s LEU 94 CO 0.65 -0.61 1.79 -2.16 0.23 0.00 0.00 176.35 176.26 2dnf s PRO 95 N -2.54 2.95 -0.19 1.29 0.04 -1.26 -4.79 135.00 130.50 2dnf s PRO 95 Ca -0.05 0.90 0.14 0.00 0.04 0.00 0.00 61.00 62.03 2dnf s PRO 95 Cb -0.01 -4.29 -0.21 0.00 0.04 0.00 0.00 34.50 30.03 2dnf s PRO 95 CO -0.03 -2.33 0.02 0.66 0.04 0.00 0.00 177.00 175.36 2dnf n TYR 96 N 11.54 0.00 -0.23 0.56 4.01 -1.26 -4.40 117.16 127.38 2dnf n TYR 96 Ca 0.21 0.00 0.32 0.00 -0.16 0.00 0.00 57.90 58.26 2dnf n TYR 96 Cb 0.50 -0.89 0.73 0.00 -0.31 0.00 0.00 39.34 39.37 2dnf n TYR 96 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2dnf h GLY 97 N 3.30 0.00 1.03 2.72 0.00 -1.95 0.22 103.07 108.38 2dnf h GLY 97 Ca -0.49 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.62 2dnf h GLY 97 CO 0.01 0.00 -0.85 1.05 0.00 0.00 0.00 176.54 176.75 2dnf h GLU 98 N 0.00 0.58 -0.12 4.80 4.11 -1.83 -3.18 114.58 118.95 2dnf h GLU 98 Ca 0.48 -0.62 0.03 0.00 0.07 0.00 0.00 59.36 59.32 2dnf h GLU 98 Cb 2.06 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.48 2dnf h GLU 98 CO -0.01 1.23 0.10 -0.07 0.07 0.00 0.00 179.01 180.34 2dnf h LEU 99 N 0.19 0.00 0.32 3.06 3.38 -0.80 -2.69 115.31 118.78 2dnf h LEU 99 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2dnf h LEU 99 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2dnf h LEU 99 CO 0.17 0.00 -0.16 -0.07 0.09 0.00 0.00 178.44 178.47 2dnf h LEU 100 N 0.00 -0.37 -7.31 1.67 3.38 -1.46 -3.41 115.31 107.82 2dnf h LEU 100 Ca 0.05 -0.17 -0.45 0.00 0.09 0.00 0.00 57.88 57.41 2dnf h LEU 100 Cb 0.26 0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.71 2dnf h LEU 100 CO -0.00 0.08 -0.76 0.72 0.09 0.00 0.00 178.44 178.57 2dnf s PHE 101 N -3.88 0.53 -0.13 1.13 -0.71 -1.02 -4.92 117.98 108.98 2dnf s PHE 101 Ca -0.12 -0.27 -0.20 0.00 -1.04 0.00 0.00 56.93 55.30 2dnf s PHE 101 Cb 0.01 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 2dnf s PHE 101 CO 0.43 -0.40 0.57 0.16 -1.34 0.00 0.00 175.22 174.63 2dnf s ASP 102 N 2.02 6.74 0.00 1.98 -4.77 -1.22 -4.65 116.67 116.78 2dnf s ASP 102 Ca 0.03 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 2dnf s ASP 102 Cb -0.14 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2dnf s ASP 102 CO -0.06 -0.10 0.00 -0.24 0.70 0.00 0.00 175.17 175.46 2dnf n SER 103 N 4.11 2.84 -3.30 2.11 2.88 -1.26 -5.02 113.62 115.98 2dnf n SER 103 Ca -0.04 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.23 2dnf n SER 103 Cb 0.51 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 2dnf n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnf n GLY 104 N 2.73 -0.36 3.71 0.46 0.00 -1.26 -4.79 105.19 105.68 2dnf n GLY 104 Ca 0.00 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 2dnf n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnf s PRO 105 N 6.27 4.33 0.61 1.61 0.04 -1.26 -5.02 135.00 141.59 2dnf s PRO 105 Ca 0.99 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.95 2dnf s PRO 105 Cb -0.86 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 2dnf s PRO 105 CO 0.37 -0.42 1.03 -1.54 0.04 0.00 0.00 177.00 176.48 2dnf s SER 106 N 1.13 6.16 -0.17 6.66 1.04 -1.26 -5.08 113.70 122.19 2dnf s SER 106 Ca 0.64 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 58.24 2dnf s SER 106 Cb -0.36 -2.48 0.14 0.00 0.10 0.00 0.00 66.02 63.42 2dnf s SER 106 CO 0.30 -0.91 1.06 -0.94 0.98 0.00 0.00 173.24 173.73 2dnf s SER 107 N -3.94 -0.30 0.00 7.02 1.04 -1.26 -5.30 113.70 110.96 2dnf s SER 107 Ca 0.56 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2dnf s SER 107 Cb -0.11 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2dnf s SER 107 CO 0.51 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.02