#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 4.93 -0.90 1.61 0.15 -1.26 -4.90 113.70 113.33 2dnf s SER 2 Ca 0.00 0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.52 2dnf s SER 2 Cb 0.00 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 2dnf s SER 2 CO 0.00 -2.76 1.24 -0.44 1.20 0.00 0.00 173.24 172.49 2dnf s SER 3 N 9.04 6.46 0.00 5.45 0.01 -1.26 -5.00 113.70 128.40 2dnf s SER 3 Ca 0.76 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2dnf s SER 3 Cb -0.11 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dnf s SER 3 CO 0.13 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 173.01 2dnf n GLY 4 N 5.99 -1.12 2.08 3.44 0.00 -1.26 -4.89 105.19 109.43 2dnf n GLY 4 Ca 0.21 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 5.88 -4.86 1.61 7.64 -1.26 -4.95 113.62 117.68 2dnf n SER 5 Ca 0.00 -3.41 -0.34 0.00 1.01 0.00 0.00 58.87 56.13 2dnf n SER 5 Cb 0.00 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 2dnf n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dnf s SER 6 N -0.93 6.74 0.00 6.43 1.04 -1.26 -5.07 113.70 120.65 2dnf s SER 6 Ca 0.49 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2dnf s SER 6 Cb 0.39 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2dnf s SER 6 CO 0.03 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2dnf n GLY 7 N 0.64 -0.35 3.65 7.32 0.00 -1.26 -4.76 105.19 110.42 2dnf n GLY 7 Ca -0.05 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 2dnf n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dnf n ARG 8 N 0.00 1.55 -2.92 1.61 1.85 -1.26 -4.95 116.66 112.54 2dnf n ARG 8 Ca 0.00 0.56 -0.29 0.00 -1.00 0.00 0.00 57.85 57.12 2dnf n ARG 8 Cb 0.00 -2.28 -0.02 0.00 -1.05 0.00 0.00 32.46 29.11 2dnf n ARG 8 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2dnf s LYS 9 N 1.87 3.69 1.03 2.89 -0.14 -1.26 -5.09 119.74 122.73 2dnf s LYS 9 Ca 0.88 0.29 -0.17 0.00 -1.36 0.00 0.00 55.97 55.61 2dnf s LYS 9 Cb -0.88 -2.45 0.26 0.00 -1.68 0.00 0.00 37.83 33.09 2dnf s LYS 9 CO 0.50 -0.02 0.91 -0.35 -0.76 0.00 0.00 175.35 175.63 2dnf n PRO 10 N -1.46 -2.81 -1.56 -1.68 -0.04 -1.26 -4.85 135.00 121.34 2dnf n PRO 10 Ca 0.01 -1.46 -0.40 0.00 -0.04 0.00 0.00 63.50 61.60 2dnf n PRO 10 Cb 0.54 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 2dnf n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dnf n LEU 11 N 0.00 2.67 -3.50 1.53 4.77 -1.26 -4.87 117.00 116.34 2dnf n LEU 11 Ca 0.13 -0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.73 2dnf n LEU 11 Cb 0.49 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 39.95 2dnf n LEU 11 CO 0.34 -1.10 -0.12 0.00 -1.33 0.00 0.00 177.39 175.17 2dnf n GLN 12 N 8.84 1.42 -2.21 3.23 1.13 -1.26 -5.10 117.38 123.43 2dnf n GLN 12 Ca 0.35 -3.98 -0.41 0.00 -1.94 0.00 0.00 57.00 51.03 2dnf n GLN 12 Cb 0.47 -1.91 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 2dnf n GLN 12 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2dnf s GLU 13 N -1.36 4.42 1.02 -1.09 2.56 -1.26 -4.72 118.70 118.27 2dnf s GLU 13 Ca 0.33 2.10 -0.13 0.00 0.00 0.00 0.00 54.97 57.27 2dnf s GLU 13 Cb 0.08 -3.13 0.20 0.00 2.00 0.00 0.00 34.13 33.28 2dnf s GLU 13 CO -0.12 -0.14 1.09 -1.25 -0.56 0.00 0.00 175.26 174.29 2dnf s PRO 14 N -1.20 0.28 -0.08 4.30 0.04 -1.26 -4.82 135.00 132.26 2dnf s PRO 14 Ca 0.51 0.47 0.02 0.00 0.04 0.00 0.00 61.00 62.04 2dnf s PRO 14 Cb -0.37 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2dnf s PRO 14 CO 0.46 -2.82 -0.15 0.00 0.04 0.00 0.00 177.00 174.53 2dnf s THR 16 N 0.72 5.09 0.13 0.00 2.01 -1.26 -1.42 115.64 120.92 2dnf s THR 16 Ca -0.13 -1.34 0.07 0.00 0.31 0.00 0.00 61.69 60.61 2dnf s THR 16 Cb -0.16 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2dnf s THR 16 CO 0.03 -0.72 -0.07 0.27 -0.69 0.00 0.00 174.62 173.43 2dnf s ILE 17 N 1.59 3.44 -0.10 1.82 -4.36 0.25 -1.48 121.20 122.36 2dnf s ILE 17 Ca 0.04 -1.36 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 2dnf s ILE 17 Cb -0.27 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2dnf s ILE 17 CO 0.04 0.03 0.15 -0.36 0.24 0.00 0.00 174.94 175.04 2dnf s PHE 18 N -1.42 3.60 0.19 1.37 0.40 -0.04 -0.23 117.98 121.86 2dnf s PHE 18 Ca 0.24 0.53 0.09 0.00 -0.60 0.00 0.00 56.93 57.18 2dnf s PHE 18 Cb -0.10 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 2dnf s PHE 18 CO 0.15 0.73 -0.06 -0.51 0.70 0.00 0.00 175.22 176.23 2dnf s LEU 19 N -1.13 3.08 -0.10 -0.37 2.01 -0.21 -0.74 118.68 121.21 2dnf s LEU 19 Ca 0.17 -0.54 -0.07 0.00 0.01 0.00 0.00 54.13 53.69 2dnf s LEU 19 Cb -0.12 -1.73 0.04 0.00 0.01 0.00 0.00 46.19 44.38 2dnf s LEU 19 CO 0.06 0.09 0.26 -0.63 1.01 0.00 0.00 176.35 177.13 2dnf s ILE 20 N -1.79 -0.02 0.07 -0.59 1.01 -0.44 -0.43 121.20 119.01 2dnf s ILE 20 Ca 0.26 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 2dnf s ILE 20 Cb -0.09 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.92 2dnf s ILE 20 CO 0.17 0.04 1.64 0.00 0.00 0.00 0.00 174.94 176.78 2dnf s ALA 21 N 0.82 3.68 0.14 9.38 0.00 -1.26 -0.56 121.76 133.96 2dnf s ALA 21 Ca -0.06 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 2dnf s ALA 21 Cb -0.07 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 2dnf s ALA 21 CO -0.05 -1.08 1.55 1.21 0.00 0.00 0.00 175.76 177.39 2dnf s ASN 22 N 2.32 6.63 0.00 0.00 2.47 -1.15 -1.95 114.94 123.25 2dnf s ASN 22 Ca 0.73 2.54 0.00 0.00 0.42 0.00 0.00 52.86 56.55 2dnf s ASN 22 Cb -0.40 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 36.82 2dnf s ASN 22 CO 0.32 -0.80 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 2dnf n GLY 23 N 3.75 0.67 3.31 1.21 0.00 -1.26 -5.03 105.19 107.84 2dnf n GLY 23 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.21 4.73 -0.21 1.61 2.15 -0.82 -4.96 116.67 116.96 2dnf s ASP 24 Ca 0.00 -0.62 0.12 0.00 0.43 0.00 0.00 52.55 52.47 2dnf s ASP 24 Cb 0.00 -1.80 0.41 0.00 -0.30 0.00 0.00 42.92 41.24 2dnf s ASP 24 CO 0.00 -0.12 1.23 0.18 -0.17 0.00 0.00 175.17 176.29 2dnf n LEU 25 N 4.81 2.78 0.00 -1.34 7.99 -1.26 -4.64 117.00 125.33 2dnf n LEU 25 Ca -0.16 -3.82 0.00 0.00 -0.01 0.00 0.00 56.01 52.02 2dnf n LEU 25 Cb 0.49 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2dnf n LEU 25 CO 0.30 1.33 -0.46 -0.38 -1.51 0.00 0.00 177.39 176.67 2dnf n ILE 26 N -1.15 0.00 -3.73 -0.08 -0.00 -1.26 -5.05 119.36 108.10 2dnf n ILE 26 Ca 0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.59 2dnf n ILE 26 Cb 0.71 -0.60 -0.06 0.00 -0.00 0.00 0.00 39.64 39.69 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 -3.59 6.54 0.58 4.38 0.01 -1.26 -5.10 114.94 116.50 2dnf s ASN 27 Ca 0.00 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 2dnf s ASN 27 Cb 0.00 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2dnf s ASN 27 CO 0.00 0.29 0.00 -0.81 -1.51 0.00 0.00 177.10 175.07 2dnf n PRO 28 N 1.40 -0.18 -2.50 -0.60 -0.04 -1.26 -4.91 135.00 126.91 2dnf n PRO 28 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 2dnf n PRO 28 Cb 0.53 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.13 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 3.47 -0.20 0.55 0.00 -1.26 -4.77 121.76 116.58 2dnf s ALA 29 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.13 2dnf s ALA 29 Cb 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.12 2dnf s ALA 29 CO 0.00 -1.77 0.06 -1.12 0.00 0.00 0.00 175.76 172.93 2dnf s SER 30 N -4.84 2.80 -0.38 0.00 0.01 0.43 -4.90 113.70 106.82 2dnf s SER 30 Ca 0.70 -0.81 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 2dnf s SER 30 Cb -0.04 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 2dnf s SER 30 CO 0.47 -0.33 1.74 -0.60 0.41 0.00 0.00 173.24 174.93 2dnf s ARG 31 N 1.96 3.28 0.05 12.44 3.52 -1.26 -1.04 118.95 137.89 2dnf s ARG 31 Ca 0.01 1.23 0.08 0.00 -0.13 0.00 0.00 55.73 56.92 2dnf s ARG 31 Cb -0.17 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.00 2dnf s ARG 31 CO -0.11 -1.93 -0.23 -1.17 -0.81 0.00 0.00 175.30 171.05 2dnf s LEU 32 N 6.95 2.17 -0.09 -0.88 2.96 0.69 -4.98 118.68 125.50 2dnf s LEU 32 Ca 0.75 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2dnf s LEU 32 Cb -0.20 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 2dnf s LEU 32 CO 0.32 0.20 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.32 2dnf s LEU 33 N -1.23 3.53 -0.18 -0.68 2.96 -1.26 -0.58 118.68 121.23 2dnf s LEU 33 Ca 0.09 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2dnf s LEU 33 Cb -0.09 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2dnf s LEU 33 CO 0.02 0.37 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.60 2dnf s ILE 34 N -0.81 1.98 0.55 6.68 1.01 -0.50 -4.99 121.20 125.12 2dnf s ILE 34 Ca 0.12 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 2dnf s ILE 34 Cb -0.11 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 2dnf s ILE 34 CO 0.02 0.51 1.13 -2.16 0.00 0.00 0.00 174.94 174.44 2dnf s PRO 35 N 1.32 3.32 0.45 2.79 0.04 -1.26 -3.06 135.00 138.60 2dnf s PRO 35 Ca 0.05 1.60 0.13 0.00 0.04 0.00 0.00 61.00 62.81 2dnf s PRO 35 Cb -0.13 -2.00 1.04 0.00 0.04 0.00 0.00 34.50 33.45 2dnf s PRO 35 CO -0.12 -0.88 2.04 -0.09 0.04 0.00 0.00 177.00 177.99 2dnf h ARG 36 N 1.12 0.34 0.00 4.56 9.65 -1.87 0.35 114.38 128.53 2dnf h ARG 36 Ca -0.50 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.34 2dnf h ARG 36 Cb 1.26 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2dnf h ARG 36 CO 0.57 0.23 -0.12 1.57 2.80 0.00 0.00 179.97 185.01 2dnf h LYS 37 N 0.35 0.00 0.01 0.20 2.10 -1.96 -2.92 116.57 114.36 2dnf h LYS 37 Ca 0.17 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.46 2dnf h LYS 37 Cb 0.25 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.52 2dnf h LYS 37 CO -0.04 0.12 -2.26 2.41 -2.00 0.00 0.00 179.45 177.69 2dnf n THR 38 N -4.26 1.49 -0.28 0.07 -1.04 -0.14 -4.37 114.28 105.74 2dnf n THR 38 Ca -0.03 -0.76 0.10 0.00 -2.04 0.00 0.00 64.05 61.33 2dnf n THR 38 Cb 0.20 -0.91 0.26 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.01 0.15 -0.92 -4.42 3.38 -0.19 0.23 115.31 113.54 2dnf h LEU 39 Ca -0.50 0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.67 2dnf h LEU 39 Cb 2.10 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.98 2dnf h LEU 39 CO 0.01 -0.04 0.59 -0.55 0.09 0.00 0.00 178.44 178.54 2dnf h ASN 40 N 0.32 0.99 -2.87 -0.43 7.08 -1.74 -3.35 115.58 115.58 2dnf h ASN 40 Ca 0.51 -0.01 -0.70 0.00 -3.08 0.00 0.00 56.30 53.01 2dnf h ASN 40 Cb 0.94 -0.22 -0.19 0.00 -2.08 0.00 0.00 38.32 36.76 2dnf h ASN 40 CO -0.55 0.68 0.40 -1.10 -2.08 0.00 0.00 177.43 174.77 2dnf s GLN 41 N -6.09 3.32 0.27 4.14 -1.52 0.79 -4.84 119.66 115.73 2dnf s GLN 41 Ca -0.13 -1.59 -0.00 0.00 -1.95 0.00 0.00 55.36 51.69 2dnf s GLN 41 Cb 0.18 -4.50 0.56 0.00 -0.22 0.00 0.00 33.01 29.04 2dnf s GLN 41 CO 0.80 -1.61 1.76 2.35 -0.25 0.00 0.00 175.29 178.34 2dnf h TRP 42 N 8.89 0.78 -0.98 0.91 -0.00 -1.72 0.37 115.95 124.20 2dnf h TRP 42 Ca -0.08 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 58.94 2dnf h TRP 42 Cb 1.06 -0.22 -0.08 0.00 -0.00 0.00 0.00 29.16 29.92 2dnf h TRP 42 CO 0.99 0.17 0.62 0.22 -0.00 0.00 0.00 178.44 180.44 2dnf h ASP 43 N 0.62 0.93 -0.01 2.65 1.82 -1.90 -0.19 116.42 120.33 2dnf h ASP 43 Ca 0.48 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 57.10 2dnf h ASP 43 Cb 0.70 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 2dnf h ASP 43 CO -0.38 0.53 -0.14 0.45 -1.61 0.00 0.00 179.24 178.09 2dnf h HIS 44 N 1.02 0.32 0.20 0.28 3.86 -1.20 -2.71 115.15 116.93 2dnf h HIS 44 Ca 0.47 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 2dnf h HIS 44 Cb 0.38 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2dnf h HIS 44 CO -0.01 0.44 -0.10 0.28 0.86 0.00 0.00 177.93 179.41 2dnf h VAL 45 N 0.29 0.87 -0.71 2.45 2.07 -0.70 -2.85 116.25 117.67 2dnf h VAL 45 Ca 0.06 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2dnf h VAL 45 Cb 0.43 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2dnf h VAL 45 CO 0.03 0.08 0.46 -0.07 0.02 0.00 0.00 177.57 178.09 2dnf h LEU 46 N -0.44 0.63 -2.00 2.57 -0.00 -1.36 0.27 115.31 114.98 2dnf h LEU 46 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2dnf h LEU 46 Cb 0.34 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2dnf h LEU 46 CO 0.04 0.40 -0.09 -0.61 -0.00 0.00 0.00 178.44 178.19 2dnf h GLN 47 N 0.71 0.00 0.06 1.13 5.75 -1.27 -2.20 115.11 119.29 2dnf h GLN 47 Ca 0.31 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.44 2dnf h GLN 47 Cb 0.29 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 2dnf h GLN 47 CO -0.10 0.09 -2.14 -1.33 -2.65 0.00 0.00 178.83 172.70 2dnf n MET 48 N -4.02 0.70 -0.24 1.69 2.81 0.01 -4.16 117.12 113.92 2dnf n MET 48 Ca -0.02 0.21 0.06 0.00 -1.81 0.00 0.00 57.70 56.14 2dnf n MET 48 Cb 0.18 -1.65 0.31 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.03 1.01 -0.77 2.03 2.07 -0.32 -1.65 116.25 118.66 2dnf h VAL 49 Ca -0.46 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2dnf h VAL 49 Cb 2.01 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2dnf h VAL 49 CO 0.03 0.15 0.33 0.74 0.02 0.00 0.00 177.57 178.85 2dnf h THR 50 N 0.85 1.25 -0.81 2.57 2.02 -1.58 0.20 112.91 117.42 2dnf h THR 50 Ca 0.36 -0.76 0.23 0.00 0.77 0.00 0.00 66.41 67.01 2dnf h THR 50 Cb 0.30 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2dnf h THR 50 CO -0.13 0.31 0.58 -0.33 0.37 0.00 0.00 175.52 176.32 2dnf h GLU 51 N 1.10 0.04 0.04 6.66 5.08 -1.46 -1.86 114.58 124.19 2dnf h GLU 51 Ca 0.26 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.24 2dnf h GLU 51 Cb 0.17 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2dnf h GLU 51 CO -0.03 0.03 -2.31 1.63 -1.00 0.00 0.00 179.01 177.33 2dnf n LYS 52 N -4.32 0.69 -3.89 2.33 4.76 -0.86 -4.77 118.16 112.10 2dnf n LYS 52 Ca 0.16 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.50 2dnf n LYS 52 Cb 0.85 -1.59 -0.14 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.53 2.29 -0.62 -0.18 -1.09 0.66 -5.01 121.20 114.71 2dnf s ILE 53 Ca -0.31 -3.15 -0.22 0.00 -2.23 0.00 0.00 60.65 54.75 2dnf s ILE 53 Cb 0.08 -2.59 0.07 0.00 -1.58 0.00 0.00 42.46 38.44 2dnf s ILE 53 CO 0.66 -0.83 0.90 -0.89 -1.23 0.00 0.00 174.94 173.55 2dnf s THR 54 N -0.15 4.45 0.42 2.92 2.01 -0.93 -4.26 115.64 120.11 2dnf s THR 54 Ca 0.17 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 2dnf s THR 54 Cb -0.25 -4.61 -0.08 0.00 0.01 0.00 0.00 72.50 67.57 2dnf s THR 54 CO -0.00 -1.32 1.31 -0.76 -0.69 0.00 0.00 174.62 173.16 2dnf s LEU 55 N 3.73 4.18 0.55 4.42 1.43 -1.17 -4.89 118.68 126.93 2dnf s LEU 55 Ca 0.21 2.66 0.23 0.00 -1.03 0.00 0.00 54.13 56.20 2dnf s LEU 55 Cb -0.18 -3.95 1.48 0.00 0.03 0.00 0.00 46.19 43.58 2dnf s LEU 55 CO 0.11 -0.91 2.12 0.08 0.23 0.00 0.00 176.35 177.97 2dnf h ARG 56 N 2.55 0.00 0.00 1.70 0.11 -1.96 0.17 114.38 116.95 2dnf h ARG 56 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2dnf h ARG 56 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2dnf h ARG 56 CO 0.62 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.35 2dnf h SER 57 N 0.00 0.00 0.00 0.08 4.64 -2.01 -3.49 113.55 112.77 2dnf h SER 57 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2dnf h SER 57 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2dnf h SER 57 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dnf n GLY 58 N 0.50 0.25 3.81 -0.77 0.00 0.59 -5.02 105.19 104.55 2dnf n GLY 58 Ca 0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 4.24 0.11 4.61 0.00 -1.26 -3.02 121.76 125.43 2dnf s ALA 59 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 2dnf s ALA 59 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 2dnf s ALA 59 CO 0.00 -0.17 0.54 0.08 0.00 0.00 0.00 175.76 176.21 2dnf s VAL 60 N -2.84 4.85 0.00 0.00 1.01 -1.26 -4.47 120.40 117.68 2dnf s VAL 60 Ca 0.15 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2dnf s VAL 60 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2dnf s VAL 60 CO 0.09 0.38 0.00 1.41 0.00 0.00 0.00 175.10 176.98 2dnf n HIS 61 N 1.20 0.00 -3.58 5.22 8.25 -1.12 -4.81 115.22 120.37 2dnf n HIS 61 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 2dnf n HIS 61 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.66 1.08 0.20 -0.41 0.52 -0.65 -5.05 118.95 112.98 2dnf s ARG 62 Ca 0.00 -0.50 0.09 0.00 -0.52 0.00 0.00 55.73 54.80 2dnf s ARG 62 Cb 0.00 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 2dnf s ARG 62 CO 0.00 -0.42 -0.08 -0.51 0.02 0.00 0.00 175.30 174.31 2dnf s LEU 63 N -2.47 2.99 -0.07 2.53 2.01 -1.25 -0.59 118.68 121.83 2dnf s LEU 63 Ca -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 54.13 53.49 2dnf s LEU 63 Cb 0.00 -1.64 0.04 0.00 0.01 0.00 0.00 46.19 44.60 2dnf s LEU 63 CO -0.08 0.09 0.16 -0.31 1.01 0.00 0.00 176.35 177.21 2dnf s TYR 64 N -1.83 -0.19 0.92 0.29 1.51 0.27 -2.52 117.35 115.80 2dnf s TYR 64 Ca 0.26 0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 56.70 2dnf s TYR 64 Cb -0.08 -0.05 0.15 0.00 -0.11 0.00 0.00 41.96 41.86 2dnf s TYR 64 CO 0.16 -0.17 1.19 0.95 -1.11 0.00 0.00 175.55 176.57 2dnf s THR 65 N 1.09 1.97 -0.29 -0.71 -4.23 -0.99 0.93 115.64 113.40 2dnf s THR 65 Ca -0.08 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.69 2dnf s THR 65 Cb -0.10 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 71.17 2dnf s THR 65 CO -0.06 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.75 2dnf h LEU 66 N -1.49 0.00 0.00 4.79 4.07 -1.93 -2.11 115.31 118.64 2dnf h LEU 66 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2dnf h LEU 66 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 2dnf h LEU 66 CO 0.56 0.00 -0.70 -0.33 -1.08 0.00 0.00 178.44 176.89 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 4.39 -1.94 -3.48 114.58 114.68 2dnf h GLU 67 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dnf h GLU 67 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2dnf h GLU 67 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2dnf n GLY 68 N 1.26 1.20 3.88 -3.84 0.00 -0.79 -5.11 105.19 101.79 2dnf n GLY 68 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 3.53 -0.18 1.61 2.47 -1.26 -4.84 119.74 121.04 2dnf s LYS 69 Ca 0.00 0.59 0.01 0.00 -1.56 0.00 0.00 55.97 55.01 2dnf s LYS 69 Cb 0.00 -2.15 0.01 0.00 -1.46 0.00 0.00 37.83 34.24 2dnf s LYS 69 CO 0.00 -0.52 -0.18 -1.17 0.16 0.00 0.00 175.35 173.65 2dnf s LEU 70 N -5.09 2.26 -0.54 5.43 2.96 -1.26 -2.35 118.68 120.09 2dnf s LEU 70 Ca 0.53 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 2dnf s LEU 70 Cb -0.11 -1.52 0.14 0.00 0.50 0.00 0.00 46.19 45.20 2dnf s LEU 70 CO 0.52 0.02 0.45 -0.69 -1.32 0.00 0.00 176.35 175.33 2dnf s VAL 71 N 1.19 4.72 -0.42 1.68 1.01 -1.05 -4.89 120.40 122.64 2dnf s VAL 71 Ca 0.02 -1.80 0.23 0.00 0.00 0.00 0.00 61.98 60.43 2dnf s VAL 71 Cb -0.14 -4.05 0.24 0.00 0.00 0.00 0.00 36.38 32.44 2dnf s VAL 71 CO -0.09 -0.84 1.48 -0.33 0.00 0.00 0.00 175.10 175.32 2dnf h GLU 72 N 8.49 0.00 -4.60 2.72 5.08 -1.98 -3.34 114.58 120.95 2dnf h GLU 72 Ca -0.20 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.75 2dnf h GLU 72 Cb 1.07 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.22 2dnf h GLU 72 CO 0.91 0.00 -0.36 -1.54 -1.00 0.00 0.00 179.01 177.02 2dnf s SER 73 N -5.81 1.45 -0.04 1.42 1.04 -1.26 -4.88 113.70 105.62 2dnf s SER 73 Ca 0.05 -1.68 0.01 0.00 0.48 0.00 0.00 55.95 54.82 2dnf s SER 73 Cb 0.07 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.87 2dnf s SER 73 CO 0.69 -1.18 0.93 0.61 0.98 0.00 0.00 173.24 175.28 2dnf n GLY 74 N -0.62 2.04 0.08 7.32 0.00 -1.26 -3.51 105.19 109.24 2dnf n GLY 74 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 2dnf n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf n ALA 75 N 0.24 1.87 1.08 4.61 0.00 -1.26 -4.20 120.51 122.85 2dnf n ALA 75 Ca 0.05 -0.99 0.12 0.00 0.00 0.00 0.00 53.44 52.62 2dnf n ALA 75 Cb 0.52 -0.48 0.30 0.00 0.00 0.00 0.00 19.45 19.79 2dnf n ALA 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dnf n GLU 76 N -2.68 0.25 -0.75 0.00 1.02 -1.23 -4.93 120.64 112.32 2dnf n GLU 76 Ca -0.22 -0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.49 2dnf n GLU 76 Cb 0.97 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 31.13 2dnf n GLU 76 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dnf s LEU 77 N -2.85 0.60 0.29 -4.62 1.43 -1.26 -5.03 118.68 107.25 2dnf s LEU 77 Ca 0.15 1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 2dnf s LEU 77 Cb 0.18 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.39 2dnf s LEU 77 CO 0.64 -4.16 0.53 -0.70 0.23 0.00 0.00 176.35 172.89 2dnf s GLU 78 N -4.83 1.75 -0.47 1.70 2.12 -1.26 -5.12 118.70 112.59 2dnf s GLU 78 Ca 0.68 -1.42 -0.16 0.00 0.36 0.00 0.00 54.97 54.43 2dnf s GLU 78 Cb -0.19 0.49 0.06 0.00 0.26 0.00 0.00 34.13 34.75 2dnf s GLU 78 CO 0.61 -0.75 0.42 1.21 -0.54 0.00 0.00 175.26 176.21 2dnf s ASN 79 N -3.09 6.16 0.00 -1.70 3.04 -1.26 -4.34 114.94 113.75 2dnf s ASN 79 Ca 0.24 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 51.93 2dnf s ASN 79 Cb -0.01 -2.20 0.00 0.00 -1.54 0.00 0.00 41.25 37.50 2dnf s ASN 79 CO 0.13 -0.66 0.00 0.61 -3.04 0.00 0.00 177.10 174.13 2dnf n GLY 80 N 5.19 0.79 3.56 1.21 0.00 -0.55 -4.97 105.19 110.42 2dnf n GLY 80 Ca -0.11 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.61 1.87 -0.06 1.61 1.11 -1.26 -4.98 119.66 114.34 2dnf s GLN 81 Ca 0.00 -1.93 -0.02 0.00 0.01 0.00 0.00 55.36 53.42 2dnf s GLN 81 Cb 0.00 -1.73 -0.04 0.00 -1.01 0.00 0.00 33.01 30.24 2dnf s GLN 81 CO 0.00 0.12 0.04 -0.06 0.01 0.00 0.00 175.29 175.39 2dnf s PHE 82 N -2.61 3.23 0.16 0.91 0.40 -1.26 -0.86 117.98 117.94 2dnf s PHE 82 Ca 0.33 0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 2dnf s PHE 82 Cb 0.03 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2dnf s PHE 82 CO 0.17 0.52 0.16 0.71 0.70 0.00 0.00 175.22 177.48 2dnf s TYR 83 N -1.00 0.73 -0.02 0.36 1.51 0.08 -4.25 117.35 114.76 2dnf s TYR 83 Ca 0.16 -1.08 0.07 0.00 -1.01 0.00 0.00 57.07 55.22 2dnf s TYR 83 Cb -0.12 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 2dnf s TYR 83 CO 0.06 -0.62 -0.24 0.08 -1.11 0.00 0.00 175.55 173.73 2dnf s VAL 84 N -4.03 1.86 -0.46 0.71 1.01 0.27 -1.33 120.40 118.42 2dnf s VAL 84 Ca 0.24 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2dnf s VAL 84 Cb 0.06 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2dnf s VAL 84 CO 0.03 0.53 0.70 0.00 0.00 0.00 0.00 175.10 176.36 2dnf s ALA 85 N -0.55 3.32 -0.22 5.51 0.00 0.28 -0.56 121.76 129.54 2dnf s ALA 85 Ca 0.09 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2dnf s ALA 85 Cb -0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2dnf s ALA 85 CO -0.01 -1.90 0.03 0.08 0.00 0.00 0.00 175.76 173.96 2dnf s VAL 86 N 3.01 4.15 0.00 0.00 1.01 0.25 -2.96 120.40 125.86 2dnf s VAL 86 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2dnf s VAL 86 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2dnf s VAL 86 CO 0.19 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2dnf n GLY 87 N 4.41 1.01 1.69 4.51 0.00 -1.26 -1.64 105.19 113.91 2dnf n GLY 87 Ca -0.17 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 2dnf n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnf n ARG 88 N 0.00 1.38 -4.42 1.61 1.74 -1.26 -4.61 116.66 111.09 2dnf n ARG 88 Ca 0.00 -0.68 -0.24 0.00 -0.77 0.00 0.00 57.85 56.16 2dnf n ARG 88 Cb 0.00 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.06 2dnf n ARG 88 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2dnf s ASP 89 N 1.28 2.40 0.46 0.55 1.47 -1.26 -5.16 116.67 116.42 2dnf s ASP 89 Ca 0.16 -1.76 -0.13 0.00 1.18 0.00 0.00 52.55 52.00 2dnf s ASP 89 Cb 0.11 0.60 -0.07 0.00 -0.34 0.00 0.00 42.92 43.22 2dnf s ASP 89 CO -0.01 -1.03 0.87 -0.54 0.68 0.00 0.00 175.17 175.14 2dnf s LYS 90 N -3.54 3.83 -0.33 2.11 3.01 -1.26 -5.00 119.74 118.56 2dnf s LYS 90 Ca 0.30 0.67 -0.29 0.00 -1.01 0.00 0.00 55.97 55.64 2dnf s LYS 90 Cb 0.02 -2.27 -0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2dnf s LYS 90 CO 0.21 -0.16 1.44 0.12 0.51 0.00 0.00 175.35 177.47 2dnf s PHE 91 N -2.53 2.40 -1.29 3.18 5.36 -1.26 -4.93 117.98 118.91 2dnf s PHE 91 Ca 0.54 0.71 -0.13 0.00 -0.96 0.00 0.00 56.93 57.10 2dnf s PHE 91 Cb -0.10 -4.10 0.13 0.00 -0.34 0.00 0.00 43.02 38.61 2dnf s PHE 91 CO 0.33 -2.14 1.78 1.63 -1.46 0.00 0.00 175.22 175.36 2dnf n LYS 92 N 7.77 3.35 -1.47 10.12 5.02 -1.26 -4.94 118.16 136.76 2dnf n LYS 92 Ca 0.17 -3.44 -0.33 0.00 -2.02 0.00 0.00 58.31 52.68 2dnf n LYS 92 Cb 0.47 -3.11 -0.18 0.00 -0.02 0.00 0.00 35.03 32.20 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 5.46 0.00 -4.40 1.97 3.00 -1.26 -4.68 118.16 118.26 2dnf n LYS 93 Ca 0.42 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.48 2dnf n LYS 93 Cb 0.40 -1.29 -0.11 0.00 0.00 0.00 0.00 35.03 34.03 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 5.55 2.44 -0.50 3.14 1.43 -1.26 -5.08 118.68 124.41 2dnf s LEU 94 Ca 1.32 -0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 2dnf s LEU 94 Cb -1.08 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2dnf s LEU 94 CO 0.51 0.07 1.79 -2.16 0.23 0.00 0.00 176.35 176.79 2dnf s PRO 95 N -2.75 2.96 -0.18 1.29 0.04 -1.26 -4.79 135.00 130.31 2dnf s PRO 95 Ca 0.20 0.92 0.13 0.00 0.04 0.00 0.00 61.00 62.29 2dnf s PRO 95 Cb -0.07 -4.29 -0.20 0.00 0.04 0.00 0.00 34.50 29.98 2dnf s PRO 95 CO 0.09 -2.32 0.02 0.66 0.04 0.00 0.00 177.00 175.49 2dnf n TYR 96 N 11.51 0.00 0.29 0.56 4.01 -1.26 -4.36 117.16 127.91 2dnf n TYR 96 Ca 0.21 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.07 2dnf n TYR 96 Cb 0.50 -0.86 0.67 0.00 -0.31 0.00 0.00 39.34 39.33 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 3.18 0.00 1.06 2.72 0.00 -1.97 0.16 103.07 108.22 2dnf h GLY 97 Ca -0.48 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.52 2dnf h GLY 97 CO 0.01 0.00 -1.66 0.83 0.00 0.00 0.00 176.54 175.72 2dnf h GLU 98 N 0.00 0.29 0.00 4.80 5.08 -1.91 -3.32 114.58 119.52 2dnf h GLU 98 Ca 0.00 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2dnf h GLU 98 Cb 0.66 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2dnf h GLU 98 CO 0.00 1.16 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.95 2dnf h LEU 99 N 0.08 0.00 0.64 1.33 3.38 -0.91 -3.16 115.31 116.67 2dnf h LEU 99 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2dnf h LEU 99 Cb 2.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 2dnf h LEU 99 CO 0.16 0.15 -0.31 -0.07 0.09 0.00 0.00 178.44 178.46 2dnf h LEU 100 N 0.00 -0.73 -8.15 1.67 3.38 -1.59 -3.38 115.31 106.51 2dnf h LEU 100 Ca -0.00 0.03 -0.72 0.00 0.09 0.00 0.00 57.88 57.28 2dnf h LEU 100 Cb 0.32 0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.05 2dnf h LEU 100 CO 0.02 -0.52 0.02 -0.36 0.09 0.00 0.00 178.44 177.69 2dnf s PHE 101 N -4.87 3.07 0.40 1.13 0.08 -1.19 -5.00 117.98 111.59 2dnf s PHE 101 Ca -0.13 -1.04 -0.18 0.00 0.12 0.00 0.00 56.93 55.70 2dnf s PHE 101 Cb 0.01 -3.94 -0.14 0.00 -0.57 0.00 0.00 43.02 38.39 2dnf s PHE 101 CO 0.38 -1.21 -0.01 -0.40 -0.10 0.00 0.00 175.22 173.88 2dnf n ASP 102 N 6.02 -2.90 -3.72 1.36 5.68 -1.26 -4.90 116.55 116.83 2dnf n ASP 102 Ca -0.11 0.67 -0.13 0.00 -0.50 0.00 0.00 54.79 54.72 2dnf n ASP 102 Cb 0.42 -0.78 -0.13 0.00 -1.14 0.00 0.00 41.12 39.49 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2dnf s SER 103 N -0.90 -0.12 -0.19 -1.12 0.15 -1.26 -5.10 113.70 105.16 2dnf s SER 103 Ca 0.52 0.50 -0.41 0.00 0.70 0.00 0.00 55.95 57.27 2dnf s SER 103 Cb -0.52 0.42 -0.19 0.00 -1.71 0.00 0.00 66.02 64.02 2dnf s SER 103 CO 0.58 -0.18 1.22 0.61 1.20 0.00 0.00 173.24 176.67 2dnf n GLY 104 N 4.42 -0.09 3.77 9.45 0.00 -1.26 -4.88 105.19 116.60 2dnf n GLY 104 Ca -0.22 0.82 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 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 1.13 2.71 -0.14 1.61 0.04 -1.26 -5.01 135.00 134.08 2dnf s PRO 105 Ca 0.92 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2dnf s PRO 105 Cb -1.30 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2dnf s PRO 105 CO 0.64 -1.31 0.02 1.03 0.04 0.00 0.00 177.00 177.42 2dnf h SER 106 N -0.16 0.00 -2.22 6.66 0.87 -2.09 -3.43 113.55 113.18 2dnf h SER 106 Ca -0.46 -0.18 -0.54 0.00 -1.23 0.00 0.00 61.79 59.38 2dnf h SER 106 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2dnf h SER 106 CO 0.54 0.83 1.39 -0.55 -0.53 0.00 0.00 176.83 178.50 2dnf s SER 107 N -5.92 5.43 0.00 6.23 0.15 -1.26 -5.35 113.70 112.98 2dnf s SER 107 Ca -0.13 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2dnf s SER 107 Cb 0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2dnf s SER 107 CO 0.26 -2.11 0.00 0.61 1.20 0.00 0.00 173.24 173.20