#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 -0.78 -0.90 1.61 0.01 -1.26 -5.10 113.70 107.28 2dnf s SER 2 Ca 0.00 1.30 -0.09 0.00 1.31 0.00 0.00 55.95 58.47 2dnf s SER 2 Cb 0.00 1.49 0.23 0.00 0.21 0.00 0.00 66.02 67.95 2dnf s SER 2 CO 0.00 -0.22 0.84 -0.55 0.41 0.00 0.00 173.24 173.71 2dnf s SER 3 N 2.10 6.60 0.00 2.44 0.15 -1.26 -4.66 113.70 119.07 2dnf s SER 3 Ca -0.07 -3.18 0.00 0.00 0.70 0.00 0.00 55.95 53.40 2dnf s SER 3 Cb -0.09 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dnf s SER 3 CO -0.17 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2dnf n GLY 4 N 3.22 0.41 3.58 9.45 0.00 -1.26 -5.07 105.19 115.52 2dnf n GLY 4 Ca 0.18 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2dnf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnf s SER 5 N 0.00 5.56 -0.17 1.61 0.01 -1.26 -4.91 113.70 114.54 2dnf s SER 5 Ca 0.00 0.95 -0.29 0.00 1.31 0.00 0.00 55.95 57.92 2dnf s SER 5 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.82 2dnf s SER 5 CO 0.00 -2.04 0.95 -0.94 0.41 0.00 0.00 173.24 171.62 2dnf s SER 6 N 7.27 -0.44 -0.38 2.44 1.04 -1.26 -5.13 113.70 117.24 2dnf s SER 6 Ca 0.77 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 2dnf s SER 6 Cb -0.19 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.52 2dnf s SER 6 CO 0.28 -0.34 0.16 -0.83 0.98 0.00 0.00 173.24 173.50 2dnf s GLY 7 N -0.80 1.93 -0.64 7.32 0.00 -1.26 -4.96 107.32 108.92 2dnf s GLY 7 Ca -0.02 -2.31 -0.01 0.00 0.00 0.00 0.00 44.72 42.39 2dnf s GLY 7 CO 0.01 0.94 1.92 0.54 0.00 0.00 0.00 173.10 176.51 2dnf n ARG 8 N 4.63 2.83 -4.05 2.90 3.00 -1.26 -4.98 116.66 119.73 2dnf n ARG 8 Ca -0.06 -3.45 -0.33 0.00 -0.01 0.00 0.00 57.85 54.00 2dnf n ARG 8 Cb 0.42 -2.29 -0.07 0.00 0.00 0.00 0.00 32.46 30.53 2dnf n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dnf s LYS 9 N -3.83 3.18 1.09 5.56 3.01 -1.26 -5.11 119.74 122.38 2dnf s LYS 9 Ca 0.61 -0.41 -0.15 0.00 -1.01 0.00 0.00 55.97 55.01 2dnf s LYS 9 Cb 0.49 -2.94 0.23 0.00 -1.01 0.00 0.00 37.83 34.60 2dnf s LYS 9 CO -0.06 0.67 1.10 -1.25 0.51 0.00 0.00 175.35 176.32 2dnf s PRO 10 N -1.68 -0.28 -0.04 -1.68 0.04 -1.26 -4.90 135.00 125.20 2dnf s PRO 10 Ca 0.23 0.28 -0.37 0.00 0.04 0.00 0.00 61.00 61.18 2dnf s PRO 10 Cb -0.12 -1.68 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 2dnf s PRO 10 CO 0.14 -3.16 1.61 1.28 0.04 0.00 0.00 177.00 176.91 2dnf n LEU 11 N -4.43 2.48 -4.16 -3.56 4.32 -1.26 -4.91 117.00 105.48 2dnf n LEU 11 Ca 0.08 1.07 -0.38 0.00 -0.02 0.00 0.00 56.01 56.76 2dnf n LEU 11 Cb 0.58 -1.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.07 2dnf n LEU 11 CO 0.53 -0.53 0.36 -1.10 -1.22 0.00 0.00 177.39 175.42 2dnf s GLN 12 N 2.18 3.30 0.52 3.23 -1.52 -1.26 -5.07 119.66 121.04 2dnf s GLN 12 Ca 0.89 -3.05 -0.14 0.00 -1.95 0.00 0.00 55.36 51.11 2dnf s GLN 12 Cb -0.89 -4.04 -0.07 0.00 -0.22 0.00 0.00 33.01 27.79 2dnf s GLN 12 CO 0.52 -1.25 0.96 -1.21 -0.25 0.00 0.00 175.29 174.06 2dnf s GLU 13 N -0.96 3.83 1.12 2.91 2.02 -1.26 -4.69 118.70 121.67 2dnf s GLU 13 Ca 0.25 0.81 -0.16 0.00 0.02 0.00 0.00 54.97 55.89 2dnf s GLU 13 Cb -0.10 -2.17 0.25 0.00 0.10 0.00 0.00 34.13 32.20 2dnf s GLU 13 CO -0.10 -0.30 1.10 -1.25 0.02 0.00 0.00 175.26 174.74 2dnf s PRO 14 N -4.31 -0.54 -0.01 0.39 0.04 -1.26 -4.44 135.00 124.87 2dnf s PRO 14 Ca 0.56 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.79 2dnf s PRO 14 Cb -0.10 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2dnf s PRO 14 CO 0.37 -3.31 -0.03 0.00 0.04 0.00 0.00 177.00 174.07 2dnf s THR 16 N 0.17 5.24 0.05 0.00 2.01 -1.26 -1.34 115.64 120.51 2dnf s THR 16 Ca -0.01 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.79 2dnf s THR 16 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2dnf s THR 16 CO -0.00 -0.03 -0.18 0.27 -0.69 0.00 0.00 174.62 173.99 2dnf s ILE 17 N 1.71 1.46 -0.12 1.82 -4.36 -1.02 -0.06 121.20 120.62 2dnf s ILE 17 Ca 0.06 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.14 2dnf s ILE 17 Cb -0.17 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 2dnf s ILE 17 CO 0.10 0.08 0.31 -0.36 0.24 0.00 0.00 174.94 175.31 2dnf s PHE 18 N -0.88 3.54 0.01 1.37 0.40 -0.32 -1.40 117.98 120.70 2dnf s PHE 18 Ca 0.05 0.69 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 2dnf s PHE 18 Cb -0.09 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 2dnf s PHE 18 CO 0.02 0.38 -0.02 -0.51 0.70 0.00 0.00 175.22 175.79 2dnf s LEU 19 N -0.03 3.41 -0.04 -0.37 2.01 -0.98 -0.67 118.68 122.00 2dnf s LEU 19 Ca 0.18 -0.07 0.02 0.00 0.01 0.00 0.00 54.13 54.27 2dnf s LEU 19 Cb -0.14 -1.99 0.02 0.00 0.01 0.00 0.00 46.19 44.09 2dnf s LEU 19 CO 0.06 0.26 -0.06 -0.63 1.01 0.00 0.00 176.35 177.00 2dnf s ILE 20 N -1.10 0.62 -0.11 -0.59 1.01 -0.42 -1.05 121.20 119.57 2dnf s ILE 20 Ca 0.20 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2dnf s ILE 20 Cb -0.11 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 2dnf s ILE 20 CO 0.11 0.23 1.68 0.00 0.00 0.00 0.00 174.94 176.96 2dnf s ALA 21 N 0.65 3.47 0.16 9.38 0.00 -1.26 -0.18 121.76 133.98 2dnf s ALA 21 Ca -0.09 0.80 -0.34 0.00 0.00 0.00 0.00 51.96 52.33 2dnf s ALA 21 Cb -0.12 -3.80 -0.15 0.00 0.00 0.00 0.00 23.12 19.05 2dnf s ALA 21 CO 0.01 -1.64 1.32 -1.71 0.00 0.00 0.00 175.76 173.73 2dnf n ASN 22 N 7.78 1.95 -0.01 0.00 5.15 -1.13 -0.52 115.26 128.48 2dnf n ASN 22 Ca 0.18 1.13 -0.00 0.00 -0.60 0.00 0.00 54.58 55.29 2dnf n ASN 22 Cb 0.44 -1.28 -0.00 0.00 -0.53 0.00 0.00 39.78 38.40 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 2.37 0.47 3.35 8.20 0.00 -1.26 -5.00 105.19 113.32 2dnf n GLY 23 Ca 0.15 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.11 4.57 0.00 1.61 -1.08 0.32 -4.92 116.67 115.05 2dnf s ASP 24 Ca 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 2dnf s ASP 24 Cb 0.00 -1.80 0.00 0.00 -1.46 0.00 0.00 42.92 39.66 2dnf s ASP 24 CO 0.00 -0.02 0.20 0.18 0.52 0.00 0.00 175.17 176.04 2dnf n LEU 25 N 4.83 0.39 -0.04 -1.34 4.77 -1.26 -4.70 117.00 119.64 2dnf n LEU 25 Ca -0.18 -0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 55.17 2dnf n LEU 25 Cb 0.51 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 2dnf n LEU 25 CO 0.29 0.10 -0.77 -0.38 -1.33 0.00 0.00 177.39 175.31 2dnf n ILE 26 N -0.35 1.34 -4.09 -0.08 -0.00 -1.26 -4.91 119.36 110.00 2dnf n ILE 26 Ca 0.00 -0.78 -0.36 0.00 -0.00 0.00 0.00 62.75 61.60 2dnf n ILE 26 Cb 0.03 -0.68 -0.08 0.00 -0.00 0.00 0.00 39.64 38.92 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 -5.68 5.87 1.14 4.38 0.01 -1.26 -5.11 114.94 114.29 2dnf s ASN 27 Ca -0.07 0.32 -0.11 0.00 -0.71 0.00 0.00 52.86 52.28 2dnf s ASN 27 Cb 0.08 -1.81 0.17 0.00 0.41 0.00 0.00 41.25 40.10 2dnf s ASN 27 CO 0.83 0.39 0.60 -0.81 -1.51 0.00 0.00 177.10 176.60 2dnf n PRO 28 N 2.11 -2.21 -2.11 -0.60 -0.04 -1.26 -4.92 135.00 125.96 2dnf n PRO 28 Ca -0.19 -0.97 -0.25 0.00 -0.04 0.00 0.00 63.50 62.06 2dnf n PRO 28 Cb 0.54 -0.91 0.15 0.00 -0.04 0.00 0.00 33.50 33.25 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 -4.04 -0.62 -3.68 0.55 0.00 -1.26 -4.81 120.51 106.64 2dnf n ALA 29 Ca -0.11 -1.73 -0.29 0.00 0.00 0.00 0.00 53.44 51.30 2dnf n ALA 29 Cb 0.33 0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.18 3.60 -0.57 0.00 0.01 -0.21 -4.91 113.70 106.43 2dnf s SER 30 Ca 0.66 -1.33 -0.26 0.00 1.31 0.00 0.00 55.95 56.33 2dnf s SER 30 Cb -0.03 -0.66 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 2dnf s SER 30 CO 0.45 -0.39 2.14 -0.60 0.41 0.00 0.00 173.24 175.26 2dnf s ARG 31 N 1.81 2.33 -0.11 12.44 3.52 -1.26 -2.33 118.95 135.34 2dnf s ARG 31 Ca 0.07 0.95 0.03 0.00 -0.13 0.00 0.00 55.73 56.65 2dnf s ARG 31 Cb -0.17 -4.52 -0.00 0.00 -1.56 0.00 0.00 34.95 28.70 2dnf s ARG 31 CO -0.24 -3.08 -0.21 -1.17 -0.81 0.00 0.00 175.30 169.79 2dnf s LEU 32 N 10.82 2.28 0.24 -0.88 2.96 -0.49 -4.96 118.68 128.65 2dnf s LEU 32 Ca 0.83 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.10 2dnf s LEU 32 Cb -0.14 -1.47 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 2dnf s LEU 32 CO 0.22 0.16 0.65 -0.22 -1.32 0.00 0.00 176.35 175.84 2dnf s LEU 33 N 0.36 4.21 -0.07 -0.68 2.96 -1.26 -2.45 118.68 121.75 2dnf s LEU 33 Ca -0.16 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2dnf s LEU 33 Cb -0.17 -3.69 0.03 0.00 0.50 0.00 0.00 46.19 42.85 2dnf s LEU 33 CO 0.08 -0.05 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.41 2dnf s ILE 34 N -1.72 0.52 0.05 6.68 1.01 -0.45 -4.99 121.20 122.30 2dnf s ILE 34 Ca 0.46 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.81 2dnf s ILE 34 Cb -0.13 -0.63 -0.07 0.00 0.01 0.00 0.00 42.46 41.64 2dnf s ILE 34 CO 0.19 0.27 1.41 -2.16 0.00 0.00 0.00 174.94 174.66 2dnf s PRO 35 N 1.75 4.30 0.15 2.79 0.04 -1.26 -2.50 135.00 140.27 2dnf s PRO 35 Ca 0.02 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 2dnf s PRO 35 Cb -0.13 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.00 2dnf s PRO 35 CO -0.05 -0.52 1.27 -2.13 0.04 0.00 0.00 177.00 175.61 2dnf n ARG 36 N 4.80 -0.31 -0.25 4.56 0.00 -1.26 0.12 116.66 124.32 2dnf n ARG 36 Ca 0.13 1.25 0.21 0.00 -0.00 0.00 0.00 57.85 59.44 2dnf n ARG 36 Cb 0.43 -1.84 0.40 0.00 0.00 0.00 0.00 32.46 31.44 2dnf n ARG 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2dnf n LYS 37 N -5.09 -0.05 0.06 -0.14 -0.00 -1.26 0.19 118.16 111.87 2dnf n LYS 37 Ca 0.04 1.07 -0.21 0.00 -0.00 0.00 0.00 58.31 59.21 2dnf n LYS 37 Cb 0.25 -1.86 -0.13 0.00 -0.00 0.00 0.00 35.03 33.29 2dnf n LYS 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2dnf h THR 38 N 0.00 1.38 -0.57 0.58 2.02 0.53 -3.23 112.91 113.62 2dnf h THR 38 Ca 0.60 -2.38 0.17 0.00 0.77 0.00 0.00 66.41 65.57 2dnf h THR 38 Cb 1.54 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 2dnf h THR 38 CO -0.61 0.70 0.84 -0.07 0.37 0.00 0.00 175.52 176.75 2dnf h LEU 39 N 0.00 0.00 -0.69 2.58 4.07 0.27 0.71 115.31 122.25 2dnf h LEU 39 Ca -0.15 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 2dnf h LEU 39 Cb 1.69 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.41 2dnf h LEU 39 CO 0.19 0.00 0.14 0.78 -1.08 0.00 0.00 178.44 178.46 2dnf h ASN 40 N 0.00 1.07 -3.80 -0.43 2.35 -1.48 -3.39 115.58 109.90 2dnf h ASN 40 Ca 0.27 -0.25 -0.64 0.00 -0.55 0.00 0.00 56.30 55.14 2dnf h ASN 40 Cb 1.95 -0.28 -0.17 0.00 0.05 0.00 0.00 38.32 39.87 2dnf h ASN 40 CO -0.00 1.04 -0.52 -1.10 -1.65 0.00 0.00 177.43 175.19 2dnf s GLN 41 N -5.26 3.96 0.25 0.81 -1.52 0.25 -4.97 119.66 113.18 2dnf s GLN 41 Ca -0.12 -0.32 0.05 0.00 -1.95 0.00 0.00 55.36 53.02 2dnf s GLN 41 Cb 0.14 -3.60 0.28 0.00 -0.22 0.00 0.00 33.01 29.61 2dnf s GLN 41 CO 0.85 -0.12 1.58 2.35 -0.25 0.00 0.00 175.29 179.70 2dnf h TRP 42 N 8.14 0.27 -0.25 0.91 -0.00 -1.79 -2.30 115.95 120.94 2dnf h TRP 42 Ca -0.36 -0.10 -0.14 0.00 -0.00 0.00 0.00 58.89 58.29 2dnf h TRP 42 Cb 1.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 30.29 2dnf h TRP 42 CO 0.73 0.75 -0.42 -0.44 -0.00 0.00 0.00 178.44 179.05 2dnf h ASP 43 N 0.16 0.64 -0.19 2.65 3.32 -1.93 -2.81 116.42 118.25 2dnf h ASP 43 Ca -0.00 -0.29 -0.18 0.00 0.02 0.00 0.00 57.03 56.57 2dnf h ASP 43 Cb 1.07 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.45 2dnf h ASP 43 CO 0.09 0.98 -0.59 0.45 -1.72 0.00 0.00 179.24 178.45 2dnf h HIS 44 N 0.49 0.97 0.42 4.55 3.86 -1.85 -3.01 115.15 120.57 2dnf h HIS 44 Ca 0.04 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 58.85 2dnf h HIS 44 Cb 0.94 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 2dnf h HIS 44 CO 0.04 1.20 -0.36 0.28 0.86 0.00 0.00 177.93 179.95 2dnf h VAL 45 N 0.46 0.26 -0.94 2.45 2.07 -1.38 -2.49 116.25 116.68 2dnf h VAL 45 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 2dnf h VAL 45 Cb 1.21 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.15 2dnf h VAL 45 CO 0.13 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.19 2dnf h LEU 46 N -0.78 0.71 -1.96 2.57 3.38 -1.59 0.15 115.31 117.79 2dnf h LEU 46 Ca -0.04 0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.33 2dnf h LEU 46 Cb 0.68 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2dnf h LEU 46 CO -0.03 0.29 0.81 -0.61 0.09 0.00 0.00 178.44 178.99 2dnf h GLN 47 N 0.75 0.00 0.01 1.13 5.75 -1.30 0.29 115.11 121.74 2dnf h GLN 47 Ca 0.52 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.68 2dnf h GLN 47 Cb 0.73 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 2dnf h GLN 47 CO -0.35 0.00 -2.06 -1.33 -2.65 0.00 0.00 178.83 172.44 2dnf n MET 48 N -4.12 0.67 -0.16 1.69 2.81 0.45 -4.04 117.12 114.42 2dnf n MET 48 Ca 0.23 0.16 -0.03 0.00 -1.81 0.00 0.00 57.70 56.25 2dnf n MET 48 Cb 1.17 -1.66 0.18 0.00 -0.71 0.00 0.00 33.22 32.19 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 0.01 1.23 -0.39 2.03 2.07 0.41 -2.65 116.25 118.95 2dnf h VAL 49 Ca -0.42 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 2dnf h VAL 49 Cb 2.11 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2dnf h VAL 49 CO 0.05 0.30 -0.18 0.74 0.02 0.00 0.00 177.57 178.50 2dnf h THR 50 N 0.87 1.27 -0.24 2.57 2.02 -1.19 0.22 112.91 118.43 2dnf h THR 50 Ca 0.20 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 66.18 2dnf h THR 50 Cb 0.25 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2dnf h THR 50 CO -0.01 0.43 0.17 -0.33 0.37 0.00 0.00 175.52 176.15 2dnf h GLU 51 N 0.67 0.00 0.05 6.66 5.08 -1.61 -2.67 114.58 122.76 2dnf h GLU 51 Ca 0.10 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 2dnf h GLU 51 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2dnf h GLU 51 CO 0.05 0.00 -2.27 1.63 -1.00 0.00 0.00 179.01 177.42 2dnf n LYS 52 N -4.46 0.69 -3.90 2.33 4.76 -1.02 -4.75 118.16 111.81 2dnf n LYS 52 Ca 0.03 0.20 -0.31 0.00 -2.87 0.00 0.00 58.31 55.36 2dnf n LYS 52 Cb 0.32 -1.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 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 2.83 -0.67 -0.18 -1.09 0.74 -4.98 121.20 115.32 2dnf s ILE 53 Ca -0.30 -3.44 -0.24 0.00 -2.23 0.00 0.00 60.65 54.45 2dnf s ILE 53 Cb 0.08 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 38.10 2dnf s ILE 53 CO 0.67 -0.85 1.04 -0.89 -1.23 0.00 0.00 174.94 173.68 2dnf s THR 54 N -0.47 4.19 0.36 2.92 2.01 -1.04 -4.33 115.64 119.28 2dnf s THR 54 Ca 0.18 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 2dnf s THR 54 Cb -0.22 -4.73 -0.10 0.00 0.01 0.00 0.00 72.50 67.47 2dnf s THR 54 CO -0.03 -1.52 1.34 -0.76 -0.69 0.00 0.00 174.62 172.96 2dnf s LEU 55 N 4.44 4.34 0.28 4.42 1.02 -0.78 -4.91 118.68 127.49 2dnf s LEU 55 Ca 0.26 2.75 0.01 0.00 0.02 0.00 0.00 54.13 57.17 2dnf s LEU 55 Cb -0.14 -3.73 0.55 0.00 0.02 0.00 0.00 46.19 42.89 2dnf s LEU 55 CO 0.12 -0.69 1.81 -0.09 0.02 0.00 0.00 176.35 177.52 2dnf h ARG 56 N 3.10 0.83 -0.13 1.70 2.43 -1.95 0.53 114.38 120.89 2dnf h ARG 56 Ca -0.49 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 2dnf h ARG 56 Cb 1.23 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2dnf h ARG 56 CO 0.64 0.55 -0.26 0.66 -1.51 0.00 0.00 179.97 180.06 2dnf h SER 57 N 0.86 0.23 0.00 -3.80 4.64 -2.00 -3.48 113.55 109.99 2dnf h SER 57 Ca 0.49 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2dnf h SER 57 Cb 0.57 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dnf h SER 57 CO -0.30 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 2dnf n GLY 58 N -0.56 -0.52 4.00 -0.77 0.00 0.18 -5.12 105.19 102.40 2dnf n GLY 58 Ca -0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 3.92 0.34 4.61 0.00 -1.26 -1.87 121.76 126.50 2dnf s ALA 59 Ca 0.00 -1.83 -0.18 0.00 0.00 0.00 0.00 51.96 49.95 2dnf s ALA 59 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 23.12 21.14 2dnf s ALA 59 CO 0.00 -1.34 0.81 0.08 0.00 0.00 0.00 175.76 175.31 2dnf s VAL 60 N -3.05 4.54 0.00 0.00 1.01 -1.26 -4.57 120.40 117.08 2dnf s VAL 60 Ca 0.65 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2dnf s VAL 60 Cb -0.05 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2dnf s VAL 60 CO 0.43 -0.14 0.00 1.41 0.00 0.00 0.00 175.10 176.80 2dnf n HIS 61 N -0.20 0.00 -3.95 5.22 8.25 -1.20 -4.92 115.22 118.41 2dnf n HIS 61 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 2dnf n HIS 61 Cb 0.53 0.00 -0.06 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 -1.63 1.28 0.11 -0.41 0.52 0.23 -4.97 118.95 114.08 2dnf s ARG 62 Ca 0.00 -1.18 0.10 0.00 -0.52 0.00 0.00 55.73 54.14 2dnf s ARG 62 Cb 0.00 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.85 2dnf s ARG 62 CO 0.00 -0.50 -0.26 -0.51 0.02 0.00 0.00 175.30 174.05 2dnf s LEU 63 N -2.98 2.32 -0.04 2.53 2.01 -1.26 -0.59 118.68 120.67 2dnf s LEU 63 Ca 0.19 -0.70 -0.03 0.00 0.01 0.00 0.00 54.13 53.60 2dnf s LEU 63 Cb 0.02 -1.26 0.02 0.00 0.01 0.00 0.00 46.19 44.98 2dnf s LEU 63 CO 0.02 0.20 0.11 -0.31 1.01 0.00 0.00 176.35 177.38 2dnf s TYR 64 N -1.01 -0.11 0.68 0.29 1.51 -0.57 -2.43 117.35 115.70 2dnf s TYR 64 Ca 0.14 0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 56.41 2dnf s TYR 64 Cb -0.10 -0.02 0.02 0.00 -0.11 0.00 0.00 41.96 41.75 2dnf s TYR 64 CO 0.05 -0.08 1.04 0.95 -1.11 0.00 0.00 175.55 176.40 2dnf s THR 65 N 0.42 3.37 0.62 -0.71 -4.23 0.60 -0.75 115.64 114.95 2dnf s THR 65 Ca -0.03 0.25 0.33 0.00 -1.18 0.00 0.00 61.69 61.06 2dnf s THR 65 Cb -0.04 -3.41 0.37 0.00 1.34 0.00 0.00 72.50 70.76 2dnf s THR 65 CO -0.02 -0.50 2.19 -0.07 -0.54 0.00 0.00 174.62 175.69 2dnf h LEU 66 N -0.53 0.00 0.00 4.79 4.07 -1.90 0.33 115.31 122.07 2dnf h LEU 66 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2dnf h LEU 66 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 2dnf h LEU 66 CO 0.63 0.00 -0.20 -0.62 -1.08 0.00 0.00 178.44 177.16 2dnf n GLU 67 N -3.56 0.12 0.00 1.13 1.02 -1.26 -4.91 120.64 113.19 2dnf n GLU 67 Ca -0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2dnf n GLU 67 Cb 0.20 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2dnf n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dnf n GLY 68 N 1.42 0.57 3.78 0.62 0.00 0.11 -5.08 105.19 106.62 2dnf n GLY 68 Ca 0.06 0.00 -0.34 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 -0.95 3.21 -0.03 1.61 2.47 -1.25 -4.70 119.74 120.09 2dnf s LYS 69 Ca 0.00 1.40 -0.01 0.00 -1.56 0.00 0.00 55.97 55.79 2dnf s LYS 69 Cb 0.00 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 2dnf s LYS 69 CO 0.00 -0.93 0.09 -1.17 0.16 0.00 0.00 175.35 173.50 2dnf s LEU 70 N -4.31 3.95 -0.74 5.43 2.96 -1.26 -0.29 118.68 124.41 2dnf s LEU 70 Ca 0.68 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2dnf s LEU 70 Cb -0.20 -2.22 0.18 0.00 0.50 0.00 0.00 46.19 44.45 2dnf s LEU 70 CO 0.34 0.30 0.55 -0.69 -1.32 0.00 0.00 176.35 175.53 2dnf s VAL 71 N -1.15 3.28 0.66 1.68 1.01 -1.02 -4.91 120.40 119.95 2dnf s VAL 71 Ca 0.21 -4.10 0.31 0.00 0.00 0.00 0.00 61.98 58.40 2dnf s VAL 71 Cb -0.12 -3.12 0.32 0.00 0.00 0.00 0.00 36.38 33.46 2dnf s VAL 71 CO 0.12 -1.01 1.95 -0.33 0.00 0.00 0.00 175.10 175.83 2dnf h GLU 72 N 5.65 0.00 -1.93 2.72 5.08 -1.98 -3.41 114.58 120.71 2dnf h GLU 72 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2dnf h GLU 72 Cb 0.78 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.82 2dnf h GLU 72 CO 0.75 0.00 0.20 0.45 -1.00 0.00 0.00 179.01 179.42 2dnf s SER 73 N -4.60 -0.67 0.59 1.42 0.15 -1.26 -4.90 113.70 104.42 2dnf s SER 73 Ca -0.04 1.11 0.22 0.00 0.70 0.00 0.00 55.95 57.95 2dnf s SER 73 Cb 0.10 1.06 0.77 0.00 -1.71 0.00 0.00 66.02 66.24 2dnf s SER 73 CO 0.32 -0.36 1.21 0.61 1.20 0.00 0.00 173.24 176.23 2dnf n GLY 74 N 1.98 -0.70 0.63 9.45 0.00 -1.26 -0.61 105.19 114.67 2dnf n GLY 74 Ca -0.15 0.31 0.46 0.00 0.00 0.00 0.00 46.02 46.64 2dnf n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnf h ALA 75 N 0.44 3.48 0.00 4.61 0.00 -1.94 1.77 119.26 127.62 2dnf h ALA 75 Ca 0.42 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.05 2dnf h ALA 75 Cb 2.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 20.62 2dnf h ALA 75 CO -0.00 -2.01 -1.44 0.93 0.00 0.00 0.00 179.25 176.72 2dnf h GLU 76 N 0.02 0.00 -6.92 0.00 5.08 -1.24 -3.47 114.58 108.05 2dnf h GLU 76 Ca 0.84 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.71 2dnf h GLU 76 Cb 3.21 0.00 0.22 0.00 0.50 0.00 0.00 28.75 32.68 2dnf h GLU 76 CO -0.09 0.60 -0.46 1.28 -1.00 0.00 0.00 179.01 179.33 2dnf n LEU 77 N -3.11 -0.62 -4.24 1.33 4.77 0.60 -5.04 117.00 110.69 2dnf n LEU 77 Ca -0.11 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 2dnf n LEU 77 Cb 0.99 -1.19 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2dnf n LEU 77 CO 0.45 -3.13 -0.39 -0.70 -1.33 0.00 0.00 177.39 172.28 2dnf s GLU 78 N -3.93 1.04 -0.78 3.23 2.12 -1.26 -5.04 118.70 114.07 2dnf s GLU 78 Ca 0.61 -1.45 -0.25 0.00 0.36 0.00 0.00 54.97 54.24 2dnf s GLU 78 Cb -0.20 -0.52 0.05 0.00 0.26 0.00 0.00 34.13 33.72 2dnf s GLU 78 CO 0.65 0.03 1.23 0.54 -0.54 0.00 0.00 175.26 177.17 2dnf s ASN 79 N -3.16 6.25 0.00 -1.70 4.22 -1.26 -3.51 114.94 115.79 2dnf s ASN 79 Ca 0.17 -0.86 0.00 0.00 -2.14 0.00 0.00 52.86 50.04 2dnf s ASN 79 Cb 0.04 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 40.05 2dnf s ASN 79 CO 0.00 -1.64 0.00 0.61 -2.04 0.00 0.00 177.10 174.03 2dnf n GLY 80 N 5.65 1.59 3.69 0.45 0.00 0.91 -4.89 105.19 112.58 2dnf n GLY 80 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.58 2.08 0.10 1.61 -0.21 -1.23 -4.96 119.66 116.47 2dnf s GLN 81 Ca 0.00 -2.07 0.04 0.00 0.02 0.00 0.00 55.36 53.34 2dnf s GLN 81 Cb 0.00 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 2dnf s GLN 81 CO 0.00 -0.14 0.09 -0.06 -2.12 0.00 0.00 175.29 173.06 2dnf s PHE 82 N -2.70 3.17 -0.23 0.91 0.40 -1.26 -1.17 117.98 117.09 2dnf s PHE 82 Ca 0.33 0.05 -0.19 0.00 -0.60 0.00 0.00 56.93 56.52 2dnf s PHE 82 Cb 0.07 -1.59 0.06 0.00 0.51 0.00 0.00 43.02 42.07 2dnf s PHE 82 CO 0.17 0.52 0.60 0.71 0.70 0.00 0.00 175.22 177.92 2dnf s TYR 83 N -1.46 -0.73 -0.01 0.36 1.51 0.15 -4.63 117.35 112.54 2dnf s TYR 83 Ca 0.29 1.68 -0.15 0.00 -1.01 0.00 0.00 57.07 57.88 2dnf s TYR 83 Cb -0.12 0.30 -0.06 0.00 -0.11 0.00 0.00 41.96 41.98 2dnf s TYR 83 CO 0.22 -0.36 0.40 0.08 -1.11 0.00 0.00 175.55 174.79 2dnf s VAL 84 N 0.65 5.04 -0.45 0.71 1.01 0.07 -1.30 120.40 126.13 2dnf s VAL 84 Ca -0.03 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 2dnf s VAL 84 Cb -0.05 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2dnf s VAL 84 CO -0.04 0.57 0.74 0.00 0.00 0.00 0.00 175.10 176.37 2dnf s ALA 85 N -1.02 3.31 -0.22 5.51 0.00 0.75 -1.52 121.76 128.57 2dnf s ALA 85 Ca 0.24 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2dnf s ALA 85 Cb -0.17 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2dnf s ALA 85 CO 0.13 -1.89 -0.05 0.08 0.00 0.00 0.00 175.76 174.04 2dnf s VAL 86 N 3.13 3.36 0.00 0.00 1.01 0.24 -2.82 120.40 125.33 2dnf s VAL 86 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2dnf s VAL 86 Cb -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2dnf s VAL 86 CO 0.21 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2dnf n GLY 87 N 4.73 1.60 0.57 4.51 0.00 -1.26 0.74 105.19 116.08 2dnf n GLY 87 Ca -0.18 -1.99 0.39 0.00 0.00 0.00 0.00 46.02 44.24 2dnf n GLY 87 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dnf n ARG 88 N 0.00 0.00 -2.58 1.61 1.85 -1.26 -4.31 116.66 111.97 2dnf n ARG 88 Ca 0.00 0.92 -0.34 0.00 -1.00 0.00 0.00 57.85 57.43 2dnf n ARG 88 Cb 0.00 -2.18 -0.04 0.00 -1.05 0.00 0.00 32.46 29.19 2dnf n ARG 88 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2dnf s ASP 89 N -3.72 6.46 0.73 2.89 1.47 -1.26 -5.03 116.67 118.21 2dnf s ASP 89 Ca -0.04 1.91 -0.12 0.00 1.18 0.00 0.00 52.55 55.48 2dnf s ASP 89 Cb 0.20 -2.56 0.04 0.00 -0.34 0.00 0.00 42.92 40.26 2dnf s ASP 89 CO 0.66 -0.70 1.10 -1.59 0.68 0.00 0.00 175.17 175.32 2dnf s LYS 90 N -3.15 2.40 0.58 2.11 -2.85 -1.26 -4.93 119.74 112.64 2dnf s LYS 90 Ca 0.66 1.29 -0.19 0.00 -1.00 0.00 0.00 55.97 56.73 2dnf s LYS 90 Cb -0.16 -1.91 -0.04 0.00 -2.06 0.00 0.00 37.83 33.66 2dnf s LYS 90 CO 0.20 -1.54 1.17 0.12 0.10 0.00 0.00 175.35 175.39 2dnf s PHE 91 N -2.65 2.51 -0.27 1.78 5.36 -1.26 -4.94 117.98 118.51 2dnf s PHE 91 Ca 0.64 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 58.17 2dnf s PHE 91 Cb -0.19 -3.38 0.07 0.00 -0.34 0.00 0.00 43.02 39.18 2dnf s PHE 91 CO 0.50 -1.92 -0.07 0.15 -1.46 0.00 0.00 175.22 172.42 2dnf s LYS 92 N -3.39 2.00 -0.54 10.12 1.02 -1.26 -5.06 119.74 122.64 2dnf s LYS 92 Ca 0.75 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 2dnf s LYS 92 Cb -0.27 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 2dnf s LYS 92 CO 0.31 -0.65 2.34 0.15 -0.92 0.00 0.00 175.35 176.58 2dnf s LYS 93 N 1.10 2.12 0.03 1.68 -0.14 -1.26 -4.72 119.74 118.56 2dnf s LYS 93 Ca -0.04 1.21 0.02 0.00 -1.36 0.00 0.00 55.97 55.80 2dnf s LYS 93 Cb -0.20 -4.58 -0.02 0.00 -1.68 0.00 0.00 37.83 31.35 2dnf s LYS 93 CO -0.06 -3.31 -0.07 -0.51 -0.76 0.00 0.00 175.35 170.63 2dnf s LEU 94 N 12.02 2.19 -0.51 3.17 1.43 -1.26 -5.10 118.68 130.62 2dnf s LEU 94 Ca 0.93 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 2dnf s LEU 94 Cb -0.16 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 2dnf s LEU 94 CO 0.23 -0.14 1.80 -2.16 0.23 0.00 0.00 176.35 176.32 2dnf s PRO 95 N -1.22 2.91 -0.17 1.29 0.04 -1.26 -4.79 135.00 131.80 2dnf s PRO 95 Ca -0.07 0.87 0.14 0.00 0.04 0.00 0.00 61.00 61.98 2dnf s PRO 95 Cb -0.08 -4.30 -0.21 0.00 0.04 0.00 0.00 34.50 29.95 2dnf s PRO 95 CO 0.00 -2.38 0.04 0.66 0.04 0.00 0.00 177.00 175.36 2dnf n TYR 96 N 11.70 0.00 0.26 0.56 4.01 -1.26 -4.36 117.16 128.06 2dnf n TYR 96 Ca 0.21 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.06 2dnf n TYR 96 Cb 0.50 -0.85 0.62 0.00 -0.31 0.00 0.00 39.34 39.30 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 3.25 0.00 1.58 2.72 0.00 -1.97 0.36 103.07 109.01 2dnf h GLY 97 Ca -0.47 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.62 2dnf h GLY 97 CO 0.02 0.00 -1.29 0.83 0.00 0.00 0.00 176.54 176.10 2dnf h GLU 98 N 0.00 0.02 0.00 4.80 5.08 -1.85 -3.28 114.58 119.34 2dnf h GLU 98 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2dnf h GLU 98 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dnf h GLU 98 CO 0.00 0.82 0.00 -0.07 -1.00 0.00 0.00 179.01 178.76 2dnf h LEU 99 N 0.00 0.00 0.51 1.33 3.38 -0.53 -3.30 115.31 116.70 2dnf h LEU 99 Ca -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2dnf h LEU 99 Cb 1.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.63 2dnf h LEU 99 CO 0.11 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 178.33 2dnf h LEU 100 N 0.00 -0.58 -7.09 1.67 3.38 -1.56 -3.45 115.31 107.67 2dnf h LEU 100 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2dnf h LEU 100 Cb 0.69 0.15 -0.20 0.00 0.09 0.00 0.00 40.66 41.39 2dnf h LEU 100 CO 0.00 -0.18 0.08 -0.36 0.09 0.00 0.00 178.44 178.07 2dnf s PHE 101 N -4.17 -0.61 -0.31 1.13 0.08 -1.24 -5.09 117.98 107.77 2dnf s PHE 101 Ca -0.12 1.19 -0.33 0.00 0.12 0.00 0.00 56.93 57.79 2dnf s PHE 101 Cb 0.01 0.32 -0.14 0.00 -0.57 0.00 0.00 43.02 42.63 2dnf s PHE 101 CO 0.39 -0.50 1.10 -3.47 -0.10 0.00 0.00 175.22 172.65 2dnf n ASP 102 N 1.51 0.76 -4.03 1.36 -0.08 -1.26 -4.74 116.55 110.06 2dnf n ASP 102 Ca -0.18 0.86 -0.31 0.00 -1.51 0.00 0.00 54.79 53.65 2dnf n ASP 102 Cb 0.56 -0.64 -0.15 0.00 2.34 0.00 0.00 41.12 43.23 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2dnf s SER 103 N 1.88 4.62 0.00 1.67 0.01 -1.26 -4.99 113.70 115.63 2dnf s SER 103 Ca 0.74 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dnf s SER 103 Cb -1.06 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dnf s SER 103 CO 0.57 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dnf n GLY 104 N 4.34 1.16 3.58 3.44 0.00 -1.26 -4.99 105.19 111.46 2dnf n GLY 104 Ca -0.03 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 0.60 2.50 0.20 1.61 0.04 -1.26 -4.80 135.00 133.90 2dnf s PRO 105 Ca 0.00 -1.07 -0.14 0.00 0.04 0.00 0.00 61.00 59.82 2dnf s PRO 105 Cb 0.00 -5.22 0.21 0.00 0.04 0.00 0.00 34.50 29.52 2dnf s PRO 105 CO 0.00 -3.92 1.64 1.03 0.04 0.00 0.00 177.00 175.78 2dnf h SER 106 N 9.89 -0.54 0.03 6.66 0.87 -2.00 -1.53 113.55 126.93 2dnf h SER 106 Ca 0.20 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.96 2dnf h SER 106 Cb 0.95 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2dnf h SER 106 CO 1.22 -0.19 -0.19 0.77 -0.53 0.00 0.00 176.83 177.91 2dnf h SER 107 N -0.00 -0.54 0.00 6.23 4.64 -2.06 -3.55 113.55 118.27 2dnf h SER 107 Ca 0.28 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2dnf h SER 107 Cb 0.43 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2dnf h SER 107 CO -0.60 -0.26 0.00 0.61 -0.87 0.00 0.00 176.83 175.71