#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf s SER 2 N 0.00 1.20 -1.72 1.61 0.15 -1.26 -4.81 113.70 108.87 2dnf s SER 2 Ca 0.00 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 2dnf s SER 2 Cb 0.00 -0.05 0.15 0.00 -1.71 0.00 0.00 66.02 64.41 2dnf s SER 2 CO 0.00 -0.05 0.58 -1.54 1.20 0.00 0.00 173.24 173.43 2dnf n SER 3 N 1.88 -1.94 -0.10 5.45 3.41 -1.26 -4.84 113.62 116.22 2dnf n SER 3 Ca -0.19 -1.13 -0.23 0.00 -0.26 0.00 0.00 58.87 57.06 2dnf n SER 3 Cb 0.55 -2.24 -0.12 0.00 -0.26 0.00 0.00 64.21 62.15 2dnf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnf n GLY 4 N -1.50 -0.73 4.18 5.00 0.00 -1.26 -4.97 105.19 105.91 2dnf n GLY 4 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2dnf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dnf n SER 5 N -4.27 -2.43 -4.43 1.61 7.64 -1.26 -4.90 113.62 105.58 2dnf n SER 5 Ca -0.36 -1.03 -0.44 0.00 1.01 0.00 0.00 58.87 58.05 2dnf n SER 5 Cb 0.76 -2.73 -0.09 0.00 -1.01 0.00 0.00 64.21 61.15 2dnf n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dnf s SER 6 N -3.57 6.14 0.00 6.43 0.01 -1.26 -4.98 113.70 116.47 2dnf s SER 6 Ca 0.55 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2dnf s SER 6 Cb -0.30 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2dnf s SER 6 CO 0.93 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2dnf n GLY 7 N 5.18 1.58 3.56 3.44 0.00 -1.26 -4.97 105.19 112.71 2dnf n GLY 7 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2dnf n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dnf s ARG 8 N 0.00 2.50 0.11 1.61 1.70 -1.26 -5.11 118.95 118.51 2dnf s ARG 8 Ca 0.00 -0.73 -0.26 0.00 -0.47 0.00 0.00 55.73 54.27 2dnf s ARG 8 Cb 0.00 -2.45 -0.07 0.00 -0.57 0.00 0.00 34.95 31.86 2dnf s ARG 8 CO 0.00 0.60 0.79 0.21 -1.08 0.00 0.00 175.30 175.82 2dnf s LYS 9 N -1.25 4.55 0.00 3.89 2.47 -1.26 -5.07 119.74 123.07 2dnf s LYS 9 Ca 0.15 1.15 0.00 0.00 -1.56 0.00 0.00 55.97 55.71 2dnf s LYS 9 Cb -0.11 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2dnf s LYS 9 CO 0.05 0.43 0.00 -0.35 0.16 0.00 0.00 175.35 175.64 2dnf n PRO 10 N 2.17 -0.94 -2.03 4.03 -0.04 -1.26 -4.81 135.00 132.11 2dnf n PRO 10 Ca -0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 2dnf n PRO 10 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 2dnf n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dnf s LEU 11 N 0.00 3.02 -0.48 1.53 1.43 -1.26 -4.88 118.68 118.04 2dnf s LEU 11 Ca 0.00 -1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 51.50 2dnf s LEU 11 Cb 0.00 -2.59 0.11 0.00 0.03 0.00 0.00 46.19 43.75 2dnf s LEU 11 CO 0.00 -3.16 0.37 -1.58 0.23 0.00 0.00 176.35 172.21 2dnf s GLN 12 N 6.69 2.64 -0.11 1.70 0.74 -1.26 -5.03 119.66 125.03 2dnf s GLN 12 Ca 0.70 -1.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.12 2dnf s GLN 12 Cb -0.02 -4.01 0.09 0.00 1.10 0.00 0.00 33.01 30.17 2dnf s GLN 12 CO 0.12 -1.19 0.79 -1.83 -0.55 0.00 0.00 175.29 172.63 2dnf s GLU 13 N 1.44 0.89 1.14 1.67 -1.05 -1.26 -5.04 118.70 116.48 2dnf s GLU 13 Ca 0.05 0.31 -0.17 0.00 -0.15 0.00 0.00 54.97 55.01 2dnf s GLU 13 Cb -0.27 0.42 0.26 0.00 -0.44 0.00 0.00 34.13 34.10 2dnf s GLU 13 CO 0.01 -0.26 1.10 -1.25 0.95 0.00 0.00 175.26 175.82 2dnf s PRO 14 N -0.96 -0.73 -0.25 -4.83 0.04 -1.26 -4.33 135.00 122.68 2dnf s PRO 14 Ca -0.07 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.06 2dnf s PRO 14 Cb -0.01 -1.64 0.14 0.00 0.04 0.00 0.00 34.50 33.03 2dnf s PRO 14 CO 0.06 -3.42 0.41 0.00 0.04 0.00 0.00 177.00 174.09 2dnf s THR 16 N 2.59 4.21 0.21 0.00 2.01 -1.26 -2.42 115.64 120.97 2dnf s THR 16 Ca 0.13 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.67 2dnf s THR 16 Cb -0.15 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2dnf s THR 16 CO -0.16 -0.11 -0.13 0.27 -0.69 0.00 0.00 174.62 173.80 2dnf s ILE 17 N 3.37 1.65 -0.08 1.82 -4.36 0.22 0.14 121.20 123.97 2dnf s ILE 17 Ca 0.57 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2dnf s ILE 17 Cb -0.23 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 2dnf s ILE 17 CO 0.17 -0.58 -0.07 -0.36 0.24 0.00 0.00 174.94 174.34 2dnf s PHE 18 N -3.03 2.94 0.13 1.37 0.40 0.18 0.17 117.98 120.14 2dnf s PHE 18 Ca 0.23 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.60 2dnf s PHE 18 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2dnf s PHE 18 CO 0.07 0.27 -0.12 -0.51 0.70 0.00 0.00 175.22 175.63 2dnf s LEU 19 N -0.63 2.94 -0.03 -0.37 2.01 -0.34 -0.09 118.68 122.17 2dnf s LEU 19 Ca 0.10 -0.47 -0.05 0.00 0.01 0.00 0.00 54.13 53.71 2dnf s LEU 19 Cb -0.12 -1.72 0.01 0.00 0.01 0.00 0.00 46.19 44.37 2dnf s LEU 19 CO 0.02 0.16 0.12 -0.63 1.01 0.00 0.00 176.35 177.02 2dnf s ILE 20 N -1.32 0.02 0.00 -0.59 1.01 -1.11 -0.81 121.20 118.40 2dnf s ILE 20 Ca 0.21 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2dnf s ILE 20 Cb -0.10 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 2dnf s ILE 20 CO 0.13 -0.10 1.36 0.00 0.00 0.00 0.00 174.94 176.34 2dnf s ALA 21 N -0.29 3.56 0.29 9.38 0.00 -1.26 -1.03 121.76 132.40 2dnf s ALA 21 Ca -0.04 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 2dnf s ALA 21 Cb -0.03 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 2dnf s ALA 21 CO 0.00 -0.86 1.50 -1.71 0.00 0.00 0.00 175.76 174.69 2dnf n ASN 22 N 5.21 3.38 -0.91 0.00 5.15 -1.16 -1.61 115.26 125.32 2dnf n ASN 22 Ca 0.13 1.16 -0.10 0.00 -0.60 0.00 0.00 54.58 55.16 2dnf n ASN 22 Cb 0.44 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.13 2dnf n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dnf n GLY 23 N 1.92 0.80 3.17 8.20 0.00 -1.26 -5.00 105.19 113.01 2dnf n GLY 23 Ca 0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 2dnf n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dnf s ASP 24 N -2.78 3.65 -0.13 1.61 2.15 -0.63 -4.97 116.67 115.58 2dnf s ASP 24 Ca 0.00 -0.68 0.15 0.00 0.43 0.00 0.00 52.55 52.44 2dnf s ASP 24 Cb 0.00 -1.57 0.30 0.00 -0.30 0.00 0.00 42.92 41.36 2dnf s ASP 24 CO 0.00 -0.04 1.15 0.18 -0.17 0.00 0.00 175.17 176.30 2dnf n LEU 25 N 4.65 2.03 -0.03 -1.34 7.99 -1.26 -4.75 117.00 124.29 2dnf n LEU 25 Ca -0.19 -2.97 -0.05 0.00 -0.01 0.00 0.00 56.01 52.79 2dnf n LEU 25 Cb 0.49 -0.36 -0.02 0.00 -0.11 0.00 0.00 43.42 43.42 2dnf n LEU 25 CO 0.26 0.85 -0.68 -0.38 -1.51 0.00 0.00 177.39 175.93 2dnf n ILE 26 N -0.97 0.30 -3.31 -0.08 2.08 -1.26 -5.04 119.36 111.07 2dnf n ILE 26 Ca 0.14 -0.09 -0.35 0.00 0.56 0.00 0.00 62.75 63.01 2dnf n ILE 26 Cb 0.71 -1.27 -0.06 0.00 -0.75 0.00 0.00 39.64 38.28 2dnf n ILE 26 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2dnf s ASN 27 N -5.15 6.82 0.54 4.38 0.01 -1.26 -5.09 114.94 115.19 2dnf s ASN 27 Ca -0.07 1.12 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 2dnf s ASN 27 Cb 0.03 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2dnf s ASN 27 CO 0.10 0.04 0.00 -0.81 -1.51 0.00 0.00 177.10 174.93 2dnf n PRO 28 N 0.56 -0.09 -2.67 -0.60 -0.04 -1.26 -4.94 135.00 125.97 2dnf n PRO 28 Ca -0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 2dnf n PRO 28 Cb 0.52 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.06 2dnf n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dnf n ALA 29 N -3.00 0.72 -3.80 0.55 0.00 -1.26 -4.79 120.51 108.93 2dnf n ALA 29 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 53.44 51.26 2dnf n ALA 29 Cb 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 2dnf n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dnf s SER 30 N -4.58 2.84 -0.83 0.00 0.01 0.01 -4.91 113.70 106.23 2dnf s SER 30 Ca 0.59 -0.74 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 2dnf s SER 30 Cb -0.04 -0.71 -0.07 0.00 0.21 0.00 0.00 66.02 65.41 2dnf s SER 30 CO 0.39 -0.26 2.09 -0.60 0.41 0.00 0.00 173.24 175.26 2dnf s ARG 31 N 1.77 2.28 -0.18 12.44 3.52 -1.26 -1.20 118.95 136.31 2dnf s ARG 31 Ca -0.00 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 55.64 2dnf s ARG 31 Cb -0.16 -4.92 -0.01 0.00 -1.56 0.00 0.00 34.95 28.31 2dnf s ARG 31 CO -0.07 -3.63 -0.10 -1.17 -0.81 0.00 0.00 175.30 169.52 2dnf s LEU 32 N 11.40 2.68 0.08 -0.88 2.96 0.46 -4.91 118.68 130.48 2dnf s LEU 32 Ca 0.77 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2dnf s LEU 32 Cb -0.09 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2dnf s LEU 32 CO 0.04 0.05 0.18 -0.22 -1.32 0.00 0.00 176.35 175.09 2dnf s LEU 33 N 1.04 4.19 -0.13 -0.68 0.20 -1.26 -0.61 118.68 121.42 2dnf s LEU 33 Ca -0.00 0.16 0.03 0.00 0.69 0.00 0.00 54.13 55.01 2dnf s LEU 33 Cb -0.15 -2.81 0.01 0.00 -0.43 0.00 0.00 46.19 42.82 2dnf s LEU 33 CO -0.02 0.15 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.34 2dnf s ILE 34 N -1.53 2.08 0.27 6.68 1.01 -1.02 -4.92 121.20 123.78 2dnf s ILE 34 Ca 0.33 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 2dnf s ILE 34 Cb -0.12 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.43 2dnf s ILE 34 CO 0.26 0.55 1.25 -2.16 0.00 0.00 0.00 174.94 174.84 2dnf s PRO 35 N 0.75 4.44 0.13 2.79 0.04 -1.26 -2.76 135.00 139.13 2dnf s PRO 35 Ca -0.09 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 2dnf s PRO 35 Cb -0.16 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2dnf s PRO 35 CO -0.00 -0.10 1.11 -2.13 0.04 0.00 0.00 177.00 175.92 2dnf n ARG 36 N 1.53 -0.27 -0.33 4.56 0.00 -1.26 0.12 116.66 121.00 2dnf n ARG 36 Ca 0.02 1.10 0.06 0.00 -0.00 0.00 0.00 57.85 59.02 2dnf n ARG 36 Cb 0.43 -1.62 0.15 0.00 0.00 0.00 0.00 32.46 31.42 2dnf n ARG 36 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2dnf h LYS 37 N 0.00 0.01 -0.22 -0.14 3.11 -1.94 0.24 116.57 117.62 2dnf h LYS 37 Ca 0.16 -0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.86 2dnf h LYS 37 Cb 0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2dnf h LYS 37 CO -0.69 0.00 -0.40 1.15 -2.81 0.00 0.00 179.45 176.71 2dnf h THR 38 N 0.01 1.32 -0.50 1.00 2.02 0.56 -3.03 112.91 114.29 2dnf h THR 38 Ca 0.46 -1.61 0.14 0.00 0.77 0.00 0.00 66.41 66.18 2dnf h THR 38 Cb 0.76 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2dnf h THR 38 CO -0.93 0.50 0.80 -0.07 0.37 0.00 0.00 175.52 176.19 2dnf h LEU 39 N 0.36 0.00 -0.05 2.58 3.38 0.22 1.16 115.31 122.97 2dnf h LEU 39 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 2dnf h LEU 39 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2dnf h LEU 39 CO 0.09 0.00 -1.07 0.78 0.09 0.00 0.00 178.44 178.33 2dnf h ASN 40 N 0.00 0.52 -3.56 -0.43 2.35 -1.30 -3.43 115.58 109.73 2dnf h ASN 40 Ca 0.24 -0.46 -0.70 0.00 -0.55 0.00 0.00 56.30 54.82 2dnf h ASN 40 Cb 1.84 -0.16 -0.20 0.00 0.05 0.00 0.00 38.32 39.85 2dnf h ASN 40 CO -0.00 1.30 -0.35 -1.10 -1.65 0.00 0.00 177.43 175.63 2dnf s GLN 41 N -3.03 3.14 0.27 0.81 1.11 0.40 -4.94 119.66 117.43 2dnf s GLN 41 Ca -0.05 -0.82 0.01 0.00 0.01 0.00 0.00 55.36 54.50 2dnf s GLN 41 Cb 0.08 -3.94 0.39 0.00 -1.01 0.00 0.00 33.01 28.53 2dnf s GLN 41 CO 0.88 -0.72 1.74 2.35 0.01 0.00 0.00 175.29 179.55 2dnf h TRP 42 N 8.63 0.65 -0.66 0.91 -0.00 -1.82 -2.87 115.95 120.78 2dnf h TRP 42 Ca -0.28 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.89 58.44 2dnf h TRP 42 Cb 1.12 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 2dnf h TRP 42 CO 0.60 0.72 0.21 -0.44 -0.00 0.00 0.00 178.44 179.53 2dnf h ASP 43 N 0.54 0.96 -0.14 2.65 5.19 -1.92 -2.53 116.42 121.18 2dnf h ASP 43 Ca 0.09 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 2dnf h ASP 43 Cb 0.58 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2dnf h ASP 43 CO 0.04 0.92 -0.00 0.45 -3.12 0.00 0.00 179.24 177.52 2dnf h HIS 44 N 0.96 0.36 -0.64 4.55 3.86 -1.83 -2.28 115.15 120.14 2dnf h HIS 44 Ca 0.21 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2dnf h HIS 44 Cb 0.29 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2dnf h HIS 44 CO 0.02 0.38 0.22 0.28 0.86 0.00 0.00 177.93 179.69 2dnf h VAL 45 N 0.35 1.24 -0.16 2.45 2.07 -1.25 -2.65 116.25 118.30 2dnf h VAL 45 Ca 0.08 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.67 2dnf h VAL 45 Cb 0.24 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2dnf h VAL 45 CO 0.01 0.31 -0.43 -0.07 0.02 0.00 0.00 177.57 177.41 2dnf h LEU 46 N 0.91 0.40 -1.30 2.57 3.38 -1.29 0.19 115.31 120.16 2dnf h LEU 46 Ca 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2dnf h LEU 46 Cb 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2dnf h LEU 46 CO -0.01 0.78 0.15 -0.61 0.09 0.00 0.00 178.44 178.84 2dnf h GLN 47 N 0.31 0.63 0.12 1.13 5.75 -1.11 -2.22 115.11 119.72 2dnf h GLN 47 Ca 0.02 -0.09 -0.35 0.00 -0.15 0.00 0.00 58.65 58.08 2dnf h GLN 47 Cb 0.88 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 2dnf h GLN 47 CO 0.07 0.54 -1.92 0.00 -2.65 0.00 0.00 178.83 174.87 2dnf h MET 48 N 0.62 0.26 -0.92 1.69 -0.00 -1.29 -3.35 114.93 111.95 2dnf h MET 48 Ca 0.15 -0.44 0.14 0.00 -0.00 0.00 0.00 59.70 59.55 2dnf h MET 48 Cb 0.16 0.16 -0.07 0.00 -0.00 0.00 0.00 31.60 31.85 2dnf h MET 48 CO -0.01 1.16 0.59 0.28 -0.00 0.00 0.00 176.91 178.92 2dnf h VAL 49 N 0.07 0.84 -0.38 -0.10 2.07 -0.51 -0.24 116.25 118.01 2dnf h VAL 49 Ca -0.39 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 2dnf h VAL 49 Cb 2.04 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2dnf h VAL 49 CO 0.10 0.14 -0.16 0.74 0.02 0.00 0.00 177.57 178.41 2dnf h THR 50 N 0.74 1.26 -0.91 2.57 2.02 -1.55 -0.94 112.91 116.09 2dnf h THR 50 Ca 0.46 -1.21 0.20 0.00 0.77 0.00 0.00 66.41 66.64 2dnf h THR 50 Cb 0.70 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 2dnf h THR 50 CO -0.22 0.40 0.60 -0.33 0.37 0.00 0.00 175.52 176.34 2dnf h GLU 51 N 0.62 0.44 0.12 6.66 5.08 -1.16 -1.97 114.58 124.37 2dnf h GLU 51 Ca 0.10 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 58.07 2dnf h GLU 51 Cb 0.62 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2dnf h GLU 51 CO 0.04 0.29 -2.02 1.63 -1.00 0.00 0.00 179.01 177.96 2dnf n LYS 52 N -4.54 0.76 -3.87 2.33 4.76 -1.07 -4.72 118.16 111.81 2dnf n LYS 52 Ca 0.20 0.26 -0.33 0.00 -2.87 0.00 0.00 58.31 55.56 2dnf n LYS 52 Cb 0.68 -1.70 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 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 -2.56 2.96 -0.65 -0.18 -1.09 -0.38 -5.02 121.20 114.28 2dnf s ILE 53 Ca -0.23 -2.76 -0.22 0.00 -2.23 0.00 0.00 60.65 55.22 2dnf s ILE 53 Cb 0.07 -3.03 0.07 0.00 -1.58 0.00 0.00 42.46 37.99 2dnf s ILE 53 CO 0.76 -0.75 0.93 -0.89 -1.23 0.00 0.00 174.94 173.76 2dnf s THR 54 N 0.32 4.38 0.36 2.92 2.01 -1.08 -4.30 115.64 120.25 2dnf s THR 54 Ca 0.14 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 2dnf s THR 54 Cb -0.22 -4.66 -0.10 0.00 0.01 0.00 0.00 72.50 67.53 2dnf s THR 54 CO -0.04 -1.42 1.31 -0.76 -0.69 0.00 0.00 174.62 173.03 2dnf s LEU 55 N 3.90 4.34 0.29 4.42 1.43 -1.05 -4.91 118.68 127.11 2dnf s LEU 55 Ca 0.21 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 56.02 2dnf s LEU 55 Cb -0.18 -3.75 0.58 0.00 0.03 0.00 0.00 46.19 42.88 2dnf s LEU 55 CO 0.10 -0.66 1.83 0.03 0.23 0.00 0.00 176.35 177.88 2dnf h ARG 56 N 3.10 0.94 -0.22 1.70 3.08 -1.96 -0.09 114.38 120.93 2dnf h ARG 56 Ca -0.49 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 2dnf h ARG 56 Cb 1.23 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2dnf h ARG 56 CO 0.64 0.62 -0.26 0.77 -1.07 0.00 0.00 179.97 180.68 2dnf h SER 57 N 0.97 0.43 0.00 7.04 0.02 -2.02 -3.48 113.55 116.50 2dnf h SER 57 Ca 0.50 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2dnf h SER 57 Cb 0.53 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dnf h SER 57 CO -0.27 0.69 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 2dnf n GLY 58 N -0.40 -0.84 3.80 -3.77 0.00 -0.05 -5.06 105.19 98.87 2dnf n GLY 58 Ca -0.01 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 4.12 0.11 4.61 0.00 -1.26 -2.53 121.76 125.82 2dnf s ALA 59 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 2dnf s ALA 59 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 2dnf s ALA 59 CO 0.00 -0.19 0.51 0.08 0.00 0.00 0.00 175.76 176.16 2dnf s VAL 60 N -2.80 4.90 0.00 0.00 1.01 -1.26 -4.22 120.40 118.03 2dnf s VAL 60 Ca 0.21 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2dnf s VAL 60 Cb 0.01 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2dnf s VAL 60 CO 0.12 0.31 0.00 1.41 0.00 0.00 0.00 175.10 176.95 2dnf n HIS 61 N 1.01 0.00 -3.96 5.22 8.25 -0.81 -4.85 115.22 120.08 2dnf n HIS 61 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 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 1.03 0.64 0.00 0.00 176.34 178.01 2dnf s ARG 62 N -1.62 1.07 0.07 -0.41 0.52 0.18 -5.03 118.95 113.74 2dnf s ARG 62 Ca 0.00 -1.15 0.09 0.00 -0.52 0.00 0.00 55.73 54.15 2dnf s ARG 62 Cb 0.00 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 2dnf s ARG 62 CO 0.00 -0.38 -0.25 -0.51 0.02 0.00 0.00 175.30 174.19 2dnf s LEU 63 N -2.95 2.32 -0.04 2.53 2.01 -1.26 -0.85 118.68 120.43 2dnf s LEU 63 Ca 0.15 -0.61 -0.01 0.00 0.01 0.00 0.00 54.13 53.67 2dnf s LEU 63 Cb 0.04 -1.32 0.03 0.00 0.01 0.00 0.00 46.19 44.95 2dnf s LEU 63 CO -0.02 0.23 0.06 -0.31 1.01 0.00 0.00 176.35 177.32 2dnf s TYR 64 N -0.92 -0.00 0.91 0.29 2.02 0.49 -2.65 117.35 117.50 2dnf s TYR 64 Ca 0.13 0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.96 2dnf s TYR 64 Cb -0.10 -0.29 0.14 0.00 -0.40 0.00 0.00 41.96 41.31 2dnf s TYR 64 CO 0.04 -0.14 1.12 0.95 -1.57 0.00 0.00 175.55 175.95 2dnf s THR 65 N 1.48 2.21 0.56 -0.71 -4.23 -0.30 0.45 115.64 115.10 2dnf s THR 65 Ca -0.04 0.07 0.43 0.00 -1.18 0.00 0.00 61.69 60.96 2dnf s THR 65 Cb -0.12 -2.75 0.44 0.00 1.34 0.00 0.00 72.50 71.40 2dnf s THR 65 CO -0.04 -0.09 2.30 -0.07 -0.54 0.00 0.00 174.62 176.19 2dnf h LEU 66 N -1.53 0.00 0.00 4.79 3.38 -1.91 -0.56 115.31 119.49 2dnf h LEU 66 Ca -0.51 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 2dnf h LEU 66 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2dnf h LEU 66 CO 0.60 0.00 -0.80 -0.33 0.09 0.00 0.00 178.44 178.01 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 5.08 -1.92 -3.45 114.58 115.42 2dnf h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dnf h GLU 67 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dnf h GLU 67 CO 0.00 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 2dnf n GLY 68 N 1.26 0.88 3.77 -3.84 0.00 -0.22 -5.08 105.19 101.97 2dnf n GLY 68 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2dnf n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnf s LYS 69 N -0.32 3.09 -0.11 1.61 2.36 -1.26 -4.72 119.74 120.39 2dnf s LYS 69 Ca 0.00 1.49 -0.02 0.00 -2.55 0.00 0.00 55.97 54.89 2dnf s LYS 69 Cb 0.00 -1.98 -0.03 0.00 -1.05 0.00 0.00 37.83 34.77 2dnf s LYS 69 CO 0.00 -1.04 -0.04 -1.17 1.55 0.00 0.00 175.35 174.66 2dnf s LEU 70 N -4.33 3.31 -0.89 5.43 2.96 -1.26 -1.15 118.68 122.75 2dnf s LEU 70 Ca 0.70 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2dnf s LEU 70 Cb -0.22 -1.77 0.23 0.00 0.50 0.00 0.00 46.19 44.93 2dnf s LEU 70 CO 0.34 0.28 0.81 -0.69 -1.32 0.00 0.00 176.35 175.77 2dnf s VAL 71 N -0.29 4.93 0.58 1.68 1.01 -1.08 -4.89 120.40 122.33 2dnf s VAL 71 Ca 0.05 -3.34 0.28 0.00 0.00 0.00 0.00 61.98 58.97 2dnf s VAL 71 Cb -0.12 -4.04 0.38 0.00 0.00 0.00 0.00 36.38 32.59 2dnf s VAL 71 CO 0.02 -1.07 1.98 -0.33 0.00 0.00 0.00 175.10 175.71 2dnf h GLU 72 N 6.69 0.00 -2.85 2.72 5.08 -1.97 -3.41 114.58 120.83 2dnf h GLU 72 Ca 0.13 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2dnf h GLU 72 Cb 0.90 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.90 2dnf h GLU 72 CO 0.85 0.00 -0.28 -1.54 -1.00 0.00 0.00 179.01 177.04 2dnf s SER 73 N -5.62 -0.38 0.66 1.42 1.04 -1.26 -5.01 113.70 104.55 2dnf s SER 73 Ca -0.05 0.72 0.13 0.00 0.48 0.00 0.00 55.95 57.23 2dnf s SER 73 Cb 0.16 0.74 0.64 0.00 0.10 0.00 0.00 66.02 67.66 2dnf s SER 73 CO 0.59 -0.14 1.35 1.23 0.98 0.00 0.00 173.24 177.25 2dnf h GLY 74 N 5.51 0.00 -0.03 7.32 0.00 -1.84 -0.61 103.07 113.42 2dnf h GLY 74 Ca -0.27 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.23 2dnf h GLY 74 CO 0.28 0.00 0.86 0.00 0.00 0.00 0.00 176.54 177.68 2dnf h ALA 75 N 0.52 2.38 0.00 3.60 0.00 -1.95 1.53 119.26 125.34 2dnf h ALA 75 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 2dnf h ALA 75 Cb 1.62 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2dnf h ALA 75 CO -0.00 -1.15 -1.63 0.39 0.00 0.00 0.00 179.25 176.86 2dnf n GLU 76 N -3.22 0.63 -0.72 0.00 1.02 -0.24 -4.95 120.64 113.16 2dnf n GLU 76 Ca 0.12 0.26 -0.25 0.00 -0.02 0.00 0.00 57.16 57.27 2dnf n GLU 76 Cb 1.05 -1.79 0.11 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.98 -2.15 -3.62 -4.62 4.77 0.52 -5.04 117.00 103.87 2dnf n LEU 77 Ca -0.15 -0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.55 2dnf n LEU 77 Cb 0.98 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2dnf n LEU 77 CO 0.44 -2.84 0.18 -0.70 -1.33 0.00 0.00 177.39 173.14 2dnf s GLU 78 N -2.89 1.05 -0.51 3.23 2.12 -1.26 -5.08 118.70 115.35 2dnf s GLU 78 Ca 0.37 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 2dnf s GLU 78 Cb -0.02 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2dnf s GLU 78 CO 0.47 -0.40 1.15 0.54 -0.54 0.00 0.00 175.26 176.48 2dnf s ASN 79 N -2.59 6.56 0.00 -1.70 4.22 -1.26 -3.47 114.94 116.70 2dnf s ASN 79 Ca 0.01 0.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.05 2dnf s ASN 79 Cb 0.01 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.99 2dnf s ASN 79 CO -0.10 -1.33 0.00 0.61 -2.04 0.00 0.00 177.10 174.25 2dnf n GLY 80 N 4.93 1.17 3.60 0.45 0.00 0.12 -4.91 105.19 110.55 2dnf n GLY 80 Ca 0.11 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.81 1.93 0.19 1.61 -1.52 -1.23 -5.01 119.66 113.82 2dnf s GLN 81 Ca 0.00 -2.12 0.09 0.00 -1.95 0.00 0.00 55.36 51.38 2dnf s GLN 81 Cb 0.00 -1.41 -0.04 0.00 -0.22 0.00 0.00 33.01 31.34 2dnf s GLN 81 CO 0.00 -0.15 -0.09 -0.06 -0.25 0.00 0.00 175.29 174.75 2dnf s PHE 82 N -2.88 2.64 -0.25 0.91 0.40 -1.26 -0.65 117.98 116.88 2dnf s PHE 82 Ca 0.30 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.27 2dnf s PHE 82 Cb 0.08 -1.28 0.08 0.00 0.51 0.00 0.00 43.02 42.41 2dnf s PHE 82 CO 0.15 0.52 0.62 0.71 0.70 0.00 0.00 175.22 177.92 2dnf s TYR 83 N -1.76 -0.96 0.09 0.36 1.51 0.88 -4.65 117.35 112.81 2dnf s TYR 83 Ca 0.25 1.93 -0.25 0.00 -1.01 0.00 0.00 57.07 58.00 2dnf s TYR 83 Cb -0.09 0.55 -0.07 0.00 -0.11 0.00 0.00 41.96 42.25 2dnf s TYR 83 CO 0.16 -0.49 0.75 0.08 -1.11 0.00 0.00 175.55 174.94 2dnf s VAL 84 N 1.63 4.59 -0.24 0.71 1.01 0.17 -2.76 120.40 125.52 2dnf s VAL 84 Ca -0.10 1.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 2dnf s VAL 84 Cb -0.06 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2dnf s VAL 84 CO -0.18 0.44 0.60 0.00 0.00 0.00 0.00 175.10 175.96 2dnf s ALA 85 N -0.56 3.59 -0.15 5.51 0.00 -0.20 -0.38 121.76 129.57 2dnf s ALA 85 Ca 0.37 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2dnf s ALA 85 Cb -0.21 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2dnf s ALA 85 CO 0.24 -0.71 -0.20 0.08 0.00 0.00 0.00 175.76 175.17 2dnf s VAL 86 N 2.27 2.20 0.00 0.00 1.01 -0.03 -3.00 120.40 122.84 2dnf s VAL 86 Ca 0.26 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2dnf s VAL 86 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2dnf s VAL 86 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.34 2dnf n GLY 87 N 4.09 1.56 0.34 4.51 0.00 -1.26 -0.64 105.19 113.79 2dnf n GLY 87 Ca -0.20 -1.69 0.17 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 -7.05 1.61 3.08 -1.95 -3.42 114.38 106.65 2dnf h ARG 88 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 2dnf h ARG 88 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2dnf h ARG 88 CO 0.00 0.00 0.36 -0.51 -1.07 0.00 0.00 179.97 178.75 2dnf s ASP 89 N -5.65 6.79 1.13 7.04 1.01 -1.26 -5.03 116.67 120.71 2dnf s ASP 89 Ca -0.05 1.78 -0.15 0.00 0.71 0.00 0.00 52.55 54.84 2dnf s ASP 89 Cb 0.15 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.73 2dnf s ASP 89 CO 0.53 -0.46 0.58 2.29 0.21 0.00 0.00 175.17 178.32 2dnf n LYS 90 N -0.64 -1.93 -3.29 8.23 2.85 -1.26 -4.94 118.16 117.18 2dnf n LYS 90 Ca 0.07 -0.54 -0.39 0.00 -1.05 0.00 0.00 58.31 56.40 2dnf n LYS 90 Cb 0.53 -1.97 -0.08 0.00 -0.65 0.00 0.00 35.03 32.86 2dnf n LYS 90 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2dnf s PHE 91 N -2.35 3.31 -0.95 5.58 5.36 -1.26 -4.86 117.98 122.81 2dnf s PHE 91 Ca 0.63 0.63 -0.16 0.00 -0.96 0.00 0.00 56.93 57.07 2dnf s PHE 91 Cb -0.20 -2.65 0.18 0.00 -0.34 0.00 0.00 43.02 40.01 2dnf s PHE 91 CO 0.65 -0.18 1.05 0.15 -1.46 0.00 0.00 175.22 175.43 2dnf s LYS 92 N 1.93 3.72 -0.82 10.12 1.02 -1.26 -4.97 119.74 129.49 2dnf s LYS 92 Ca 0.20 -2.24 -0.22 0.00 0.02 0.00 0.00 55.97 53.73 2dnf s LYS 92 Cb -0.15 -4.74 -0.19 0.00 -0.52 0.00 0.00 37.83 32.22 2dnf s LYS 92 CO 0.09 -1.56 2.38 1.17 -0.92 0.00 0.00 175.35 176.51 2dnf n LYS 93 N 5.21 0.43 -4.41 1.68 0.00 -1.26 -4.58 118.16 115.23 2dnf n LYS 93 Ca 0.22 -0.38 -0.26 0.00 0.00 0.00 0.00 58.31 57.90 2dnf n LYS 93 Cb 0.47 -2.69 -0.12 0.00 0.00 0.00 0.00 35.03 32.69 2dnf n LYS 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dnf s LEU 94 N 9.77 2.45 -0.48 3.14 1.43 -1.26 -5.08 118.68 128.65 2dnf s LEU 94 Ca 1.09 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 2dnf s LEU 94 Cb -0.46 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2dnf s LEU 94 CO 0.29 0.09 1.78 -2.16 0.23 0.00 0.00 176.35 176.58 2dnf s PRO 95 N -2.75 3.01 -0.11 1.29 0.04 -1.26 -4.78 135.00 130.43 2dnf s PRO 95 Ca 0.21 0.96 0.11 0.00 0.04 0.00 0.00 61.00 62.32 2dnf s PRO 95 Cb -0.07 -4.27 -0.16 0.00 0.04 0.00 0.00 34.50 30.03 2dnf s PRO 95 CO 0.10 -2.26 0.07 0.66 0.04 0.00 0.00 177.00 175.61 2dnf n TYR 96 N 11.33 0.00 0.32 0.56 4.01 -1.26 -4.45 117.16 127.67 2dnf n TYR 96 Ca 0.21 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.14 2dnf n TYR 96 Cb 0.50 -0.59 1.01 0.00 -0.31 0.00 0.00 39.34 39.94 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 2.49 0.00 1.70 2.72 0.00 -1.93 0.17 103.07 108.22 2dnf h GLY 97 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 2dnf h GLY 97 CO 0.02 0.00 -1.20 0.83 0.00 0.00 0.00 176.54 176.18 2dnf h GLU 98 N 0.00 0.12 0.00 4.80 4.39 -1.89 -3.26 114.58 118.74 2dnf h GLU 98 Ca 0.00 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 2dnf h GLU 98 Cb 0.26 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2dnf h GLU 98 CO 0.00 1.04 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.63 2dnf h LEU 99 N 0.03 0.00 0.45 1.33 3.38 -1.21 -3.30 115.31 115.99 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 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2dnf h LEU 99 CO 0.15 0.19 -0.22 -0.07 0.09 0.00 0.00 178.44 178.59 2dnf h LEU 100 N 0.00 -0.52 -8.07 1.67 3.38 -1.55 -3.41 115.31 106.82 2dnf h LEU 100 Ca -0.00 0.02 -0.71 0.00 0.09 0.00 0.00 57.88 57.28 2dnf h LEU 100 Cb 0.76 0.13 -0.29 0.00 0.09 0.00 0.00 40.66 41.35 2dnf h LEU 100 CO 0.03 -0.29 -0.50 -0.36 0.09 0.00 0.00 178.44 177.41 2dnf s PHE 101 N -3.87 3.37 1.07 1.13 0.08 -1.24 -5.06 117.98 113.45 2dnf s PHE 101 Ca -0.09 -1.68 -0.19 0.00 0.12 0.00 0.00 56.93 55.09 2dnf s PHE 101 Cb 0.01 -2.90 0.08 0.00 -0.57 0.00 0.00 43.02 39.64 2dnf s PHE 101 CO 0.27 -0.86 -0.14 -0.40 -0.10 0.00 0.00 175.22 173.99 2dnf n ASP 102 N 4.84 -2.65 -4.41 1.36 5.68 -1.26 -4.85 116.55 115.26 2dnf n ASP 102 Ca -0.09 -0.19 -0.44 0.00 -0.50 0.00 0.00 54.79 53.57 2dnf n ASP 102 Cb 0.43 -0.83 -0.04 0.00 -1.14 0.00 0.00 41.12 39.54 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2dnf s SER 103 N -1.75 6.22 0.00 -1.12 0.01 -1.26 -4.96 113.70 110.84 2dnf s SER 103 Ca 0.47 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2dnf s SER 103 Cb -0.06 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2dnf s SER 103 CO 0.56 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2dnf n GLY 104 N 5.30 1.80 0.00 3.44 0.00 -1.26 -4.56 105.19 109.90 2dnf n GLY 104 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.05 2dnf n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnf n PRO 105 N 0.00 0.04 -2.22 1.61 -0.04 -1.26 -4.67 135.00 128.47 2dnf n PRO 105 Ca 0.00 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 2dnf n PRO 105 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dnf n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnf s SER 106 N -2.91 6.04 -0.40 3.54 0.15 -1.26 -4.91 113.70 113.94 2dnf s SER 106 Ca 0.08 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 2dnf s SER 106 Cb 0.09 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.78 2dnf s SER 106 CO 0.25 -1.68 2.31 -0.24 1.20 0.00 0.00 173.24 175.08 2dnf n SER 107 N 9.86 2.36 0.00 5.45 2.88 -1.26 -4.94 113.62 127.97 2dnf n SER 107 Ca 0.18 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dnf n SER 107 Cb 0.48 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2dnf n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42