#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 2.81 -0.21 1.61 0.15 -1.26 -5.13 113.70 111.68 2dnf s SER 2 Ca 0.00 -0.73 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 2dnf s SER 2 Cb 0.00 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.21 2dnf s SER 2 CO 0.00 0.08 0.04 -0.55 1.20 0.00 0.00 173.24 174.02 2dnf s SER 3 N -2.08 3.01 0.00 5.45 0.15 -1.26 -5.09 113.70 113.88 2dnf s SER 3 Ca 0.10 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2dnf s SER 3 Cb -0.09 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2dnf s SER 3 CO 0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dnf n GLY 4 N 5.04 1.60 3.60 9.45 0.00 -1.26 -4.97 105.19 118.66 2dnf n GLY 4 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.22 -3.83 1.61 7.64 -1.26 -4.99 113.62 109.58 2dnf n SER 5 Ca 0.00 -0.67 -0.28 0.00 1.01 0.00 0.00 58.87 58.92 2dnf n SER 5 Cb 0.00 -4.67 -0.16 0.00 -1.01 0.00 0.00 64.21 58.37 2dnf n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnf s SER 6 N -3.98 3.12 0.00 6.43 0.15 -1.26 -5.10 113.70 113.06 2dnf s SER 6 Ca 0.23 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2dnf s SER 6 Cb -0.11 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2dnf s SER 6 CO 0.76 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2dnf n GLY 7 N 4.91 0.68 3.73 9.45 0.00 -1.26 -5.02 105.19 117.68 2dnf n GLY 7 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2dnf n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dnf s ARG 8 N 3.04 4.12 0.07 1.61 3.52 -1.26 -4.98 118.95 125.06 2dnf s ARG 8 Ca 0.00 2.61 -0.12 0.00 -0.13 0.00 0.00 55.73 58.09 2dnf s ARG 8 Cb 0.00 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.28 2dnf s ARG 8 CO 0.00 -0.73 0.43 0.15 -0.81 0.00 0.00 175.30 174.35 2dnf s LYS 9 N 0.68 3.85 0.62 5.12 1.02 -1.26 -5.09 119.74 124.67 2dnf s LYS 9 Ca 0.72 0.30 -0.10 0.00 0.02 0.00 0.00 55.97 56.90 2dnf s LYS 9 Cb -0.49 -3.04 0.15 0.00 -0.52 0.00 0.00 37.83 33.93 2dnf s LYS 9 CO 0.37 0.58 0.55 -0.35 -0.92 0.00 0.00 175.35 175.58 2dnf n PRO 10 N 1.12 -2.10 -1.78 -1.68 -0.04 -1.26 -4.82 135.00 124.44 2dnf n PRO 10 Ca -0.09 -0.88 -0.33 0.00 -0.04 0.00 0.00 63.50 62.16 2dnf n PRO 10 Cb 0.52 -0.83 -0.06 0.00 -0.04 0.00 0.00 33.50 33.09 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 3.30 -3.66 1.53 4.77 -1.26 -4.78 117.00 116.89 2dnf n LEU 11 Ca 0.08 -3.07 -0.29 0.00 -0.03 0.00 0.00 56.01 52.70 2dnf n LEU 11 Cb 0.30 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 39.71 2dnf n LEU 11 CO 0.21 -1.45 -0.26 -1.10 -1.33 0.00 0.00 177.39 173.45 2dnf s GLN 12 N 6.09 1.12 0.03 3.23 1.11 -1.26 -5.10 119.66 124.88 2dnf s GLN 12 Ca 0.66 -1.83 -0.28 0.00 0.01 0.00 0.00 55.36 53.91 2dnf s GLN 12 Cb 0.04 -2.11 -0.04 0.00 -1.01 0.00 0.00 33.01 29.88 2dnf s GLN 12 CO 0.14 -1.16 0.89 -2.00 0.01 0.00 0.00 175.29 173.16 2dnf s GLU 13 N 0.55 4.57 0.89 2.91 2.56 -1.26 -4.60 118.70 124.31 2dnf s GLU 13 Ca 0.17 1.28 -0.11 0.00 0.00 0.00 0.00 54.97 56.30 2dnf s GLU 13 Cb -0.24 -3.41 0.12 0.00 2.00 0.00 0.00 34.13 32.60 2dnf s GLU 13 CO -0.00 0.11 1.09 -1.25 -0.56 0.00 0.00 175.26 174.65 2dnf s PRO 14 N 0.47 1.33 -0.38 4.30 0.04 -1.26 -4.12 135.00 135.39 2dnf s PRO 14 Ca 0.46 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2dnf s PRO 14 Cb -0.21 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.64 2dnf s PRO 14 CO 0.26 -2.19 0.20 0.00 0.04 0.00 0.00 177.00 175.31 2dnf s THR 16 N 0.92 3.09 0.14 0.00 2.01 -1.26 -3.57 115.64 116.96 2dnf s THR 16 Ca 0.16 0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.35 2dnf s THR 16 Cb -0.23 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2dnf s THR 16 CO -0.04 -0.11 -0.25 0.27 -0.69 0.00 0.00 174.62 173.79 2dnf s ILE 17 N 9.40 2.38 -0.01 1.82 -4.36 -0.77 -2.34 121.20 127.32 2dnf s ILE 17 Ca 0.95 -1.76 -0.02 0.00 -0.26 0.00 0.00 60.65 59.57 2dnf s ILE 17 Cb -0.25 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 2dnf s ILE 17 CO 0.31 0.06 0.13 -0.36 0.24 0.00 0.00 174.94 175.32 2dnf s PHE 18 N -1.17 3.41 0.18 1.37 0.40 -0.88 0.85 117.98 122.13 2dnf s PHE 18 Ca 0.16 0.28 0.11 0.00 -0.60 0.00 0.00 56.93 56.88 2dnf s PHE 18 Cb -0.10 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2dnf s PHE 18 CO 0.07 0.60 -0.24 -0.51 0.70 0.00 0.00 175.22 175.84 2dnf s LEU 19 N -1.82 2.43 0.00 -0.37 2.01 -1.19 -1.37 118.68 118.38 2dnf s LEU 19 Ca 0.25 -0.82 -0.03 0.00 0.01 0.00 0.00 54.13 53.53 2dnf s LEU 19 Cb -0.12 -1.21 -0.01 0.00 0.01 0.00 0.00 46.19 44.86 2dnf s LEU 19 CO 0.16 0.14 0.05 -0.63 1.01 0.00 0.00 176.35 177.08 2dnf s ILE 20 N -1.51 0.08 -0.21 -0.59 1.01 -0.76 -1.72 121.20 117.50 2dnf s ILE 20 Ca 0.19 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2dnf s ILE 20 Cb -0.08 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2dnf s ILE 20 CO 0.09 -0.37 1.00 0.00 0.00 0.00 0.00 174.94 175.67 2dnf s ALA 21 N -1.17 3.62 -0.06 9.38 0.00 -1.26 -0.42 121.76 131.86 2dnf s ALA 21 Ca -0.13 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2dnf s ALA 21 Cb -0.07 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2dnf s ALA 21 CO 0.00 -0.93 2.05 -1.71 0.00 0.00 0.00 175.76 175.16 2dnf n ASN 22 N 5.99 3.79 0.00 0.00 5.15 -1.10 -0.88 115.26 128.21 2dnf n ASN 22 Ca 0.10 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 2dnf n ASN 22 Cb 0.47 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 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 4.95 2.30 3.58 8.20 0.00 -1.26 -4.96 105.19 117.99 2dnf n GLY 23 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.41 6.52 -0.19 1.61 -1.08 -0.06 -4.89 116.67 117.16 2dnf s ASP 24 Ca 0.00 0.25 0.13 0.00 -0.52 0.00 0.00 52.55 52.40 2dnf s ASP 24 Cb 0.00 -2.39 0.40 0.00 -1.46 0.00 0.00 42.92 39.47 2dnf s ASP 24 CO 0.00 -0.77 1.21 0.18 0.52 0.00 0.00 175.17 176.30 2dnf n LEU 25 N 6.49 2.59 -0.01 -1.34 7.99 -1.26 -4.67 117.00 126.79 2dnf n LEU 25 Ca 0.03 -3.72 -0.01 0.00 -0.01 0.00 0.00 56.01 52.29 2dnf n LEU 25 Cb 0.48 -0.50 -0.01 0.00 -0.11 0.00 0.00 43.42 43.29 2dnf n LEU 25 CO 0.55 1.28 -0.57 -0.38 -1.51 0.00 0.00 177.39 176.76 2dnf n ILE 26 N -1.11 0.12 -3.98 -0.08 2.08 -1.26 -5.04 119.36 110.09 2dnf n ILE 26 Ca 0.18 -0.05 -0.33 0.00 0.56 0.00 0.00 62.75 63.11 2dnf n ILE 26 Cb 0.70 -0.62 -0.06 0.00 -0.75 0.00 0.00 39.64 38.91 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 -4.08 6.10 0.85 4.38 0.02 -1.26 -5.11 114.94 115.85 2dnf s ASN 27 Ca -0.03 0.27 0.00 0.00 -1.02 0.00 0.00 52.86 52.09 2dnf s ASN 27 Cb 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 41.25 39.42 2dnf s ASN 27 CO 0.05 0.27 0.00 -0.81 0.02 0.00 0.00 177.10 176.63 2dnf n PRO 28 N 1.09 -0.73 -2.56 -0.60 -0.04 -1.26 -4.94 135.00 125.96 2dnf n PRO 28 Ca -0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 2dnf n PRO 28 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 3.69 -0.37 0.55 0.00 -1.26 -4.86 121.76 116.54 2dnf s ALA 29 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.45 2dnf s ALA 29 Cb 0.00 -2.10 0.11 0.00 0.00 0.00 0.00 23.12 21.14 2dnf s ALA 29 CO 0.00 -1.24 0.14 -1.12 0.00 0.00 0.00 175.76 173.54 2dnf s SER 30 N -4.62 4.13 -0.53 0.00 0.01 -0.70 -4.93 113.70 107.07 2dnf s SER 30 Ca 0.63 -2.14 -0.33 0.00 1.31 0.00 0.00 55.95 55.41 2dnf s SER 30 Cb -0.07 -1.16 -0.13 0.00 0.21 0.00 0.00 66.02 64.86 2dnf s SER 30 CO 0.43 -0.35 2.34 -1.14 0.41 0.00 0.00 173.24 174.92 2dnf n ARG 31 N 4.21 0.74 -4.06 12.44 0.63 -1.26 -3.18 116.66 126.19 2dnf n ARG 31 Ca 0.03 0.15 -0.32 0.00 -0.92 0.00 0.00 57.85 56.79 2dnf n ARG 31 Cb 0.39 -2.36 -0.16 0.00 0.45 0.00 0.00 32.46 30.78 2dnf n ARG 31 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2dnf s LEU 32 N 8.50 2.21 0.22 6.15 2.96 0.25 -4.96 118.68 134.01 2dnf s LEU 32 Ca 1.14 -0.76 -0.13 0.00 -0.22 0.00 0.00 54.13 54.17 2dnf s LEU 32 Cb -0.87 -1.35 -0.08 0.00 0.50 0.00 0.00 46.19 44.39 2dnf s LEU 32 CO 0.46 -0.07 0.60 -0.22 -1.32 0.00 0.00 176.35 175.80 2dnf s LEU 33 N 1.34 4.21 -0.05 -0.68 0.20 -1.26 -1.84 118.68 120.60 2dnf s LEU 33 Ca 0.02 1.07 0.01 0.00 0.69 0.00 0.00 54.13 55.92 2dnf s LEU 33 Cb -0.15 -3.64 0.02 0.00 -0.43 0.00 0.00 46.19 41.99 2dnf s LEU 33 CO -0.10 -0.04 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.22 2dnf s ILE 34 N -1.73 0.68 0.09 6.68 1.01 -1.23 -4.94 121.20 121.76 2dnf s ILE 34 Ca 0.46 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 2dnf s ILE 34 Cb -0.12 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 2dnf s ILE 34 CO 0.20 0.25 1.38 -2.16 0.00 0.00 0.00 174.94 174.61 2dnf s PRO 35 N 0.77 4.32 0.33 2.79 0.04 -1.26 -2.67 135.00 139.33 2dnf s PRO 35 Ca -0.12 2.03 0.22 0.00 0.04 0.00 0.00 61.00 63.17 2dnf s PRO 35 Cb -0.14 -3.31 1.16 0.00 0.04 0.00 0.00 34.50 32.25 2dnf s PRO 35 CO 0.01 -0.44 1.28 -2.13 0.04 0.00 0.00 177.00 175.76 2dnf n ARG 36 N 4.17 -0.04 -0.17 4.56 3.00 -1.26 0.15 116.66 127.07 2dnf n ARG 36 Ca 0.11 1.07 -0.01 0.00 -0.00 0.00 0.00 57.85 59.03 2dnf n ARG 36 Cb 0.43 -2.02 0.08 0.00 0.00 0.00 0.00 32.46 30.95 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 0.16 -0.36 -0.14 3.11 -1.91 -1.72 116.57 115.71 2dnf h LYS 37 Ca 0.71 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 58.44 2dnf h LYS 37 Cb 2.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 33.25 2dnf h LYS 37 CO -0.51 0.11 -0.15 1.15 -2.81 0.00 0.00 179.45 177.24 2dnf h THR 38 N 0.17 1.28 -1.02 1.00 2.02 0.10 -3.05 112.91 113.41 2dnf h THR 38 Ca 0.28 -1.26 0.30 0.00 0.77 0.00 0.00 66.41 66.50 2dnf h THR 38 Cb 0.42 1.34 -0.14 0.00 -1.74 0.00 0.00 68.15 68.02 2dnf h THR 38 CO -0.42 0.41 0.59 -0.07 0.37 0.00 0.00 175.52 176.41 2dnf h LEU 39 N 0.53 0.55 -1.52 2.58 -0.00 -1.01 0.46 115.31 116.89 2dnf h LEU 39 Ca 0.08 0.17 0.34 0.00 -0.00 0.00 0.00 57.88 58.47 2dnf h LEU 39 Cb 0.68 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.36 2dnf h LEU 39 CO 0.05 -0.07 0.78 0.78 -0.00 0.00 0.00 178.44 179.98 2dnf h ASN 40 N 0.39 0.29 -1.73 -0.43 2.35 -1.36 -3.41 115.58 111.68 2dnf h ASN 40 Ca 0.71 0.08 -0.49 0.00 -0.55 0.00 0.00 56.30 56.05 2dnf h ASN 40 Cb 1.58 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.96 2dnf h ASN 40 CO -0.55 -0.01 -0.42 -1.10 -1.65 0.00 0.00 177.43 173.70 2dnf s GLN 41 N -5.31 2.68 -0.11 0.81 -1.52 0.16 -5.05 119.66 111.32 2dnf s GLN 41 Ca -0.08 -1.36 0.05 0.00 -1.95 0.00 0.00 55.36 52.02 2dnf s GLN 41 Cb 0.26 -2.46 -0.10 0.00 -0.22 0.00 0.00 33.01 30.49 2dnf s GLN 41 CO 0.81 -0.01 -0.04 1.87 -0.25 0.00 0.00 175.29 177.68 2dnf n TRP 42 N -1.45 0.00 0.02 0.91 -0.00 -1.26 -4.30 117.44 111.36 2dnf n TRP 42 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.42 2dnf n TRP 42 Cb 0.60 -0.46 0.07 0.00 -0.00 0.00 0.00 31.31 31.52 2dnf n TRP 42 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 2dnf h ASP 43 N 0.00 0.57 -0.42 5.87 5.19 -1.97 -2.99 116.42 122.68 2dnf h ASP 43 Ca -0.26 -0.30 -0.15 0.00 -0.62 0.00 0.00 57.03 55.70 2dnf h ASP 43 Cb 1.49 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 2dnf h ASP 43 CO -0.01 1.00 -0.32 0.45 -3.12 0.00 0.00 179.24 177.24 2dnf h HIS 44 N 0.39 1.12 0.72 4.55 3.86 -1.88 -2.91 115.15 121.01 2dnf h HIS 44 Ca 0.01 -0.31 -0.03 0.00 -1.16 0.00 0.00 60.37 58.87 2dnf h HIS 44 Cb 1.08 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2dnf h HIS 44 CO 0.04 1.14 -0.44 0.28 0.86 0.00 0.00 177.93 179.81 2dnf h VAL 45 N 0.78 0.11 -1.00 2.45 2.07 -1.73 -2.62 116.25 116.31 2dnf h VAL 45 Ca 0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.81 2dnf h VAL 45 Cb 0.91 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.68 2dnf h VAL 45 CO 0.08 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.22 2dnf h LEU 46 N -1.09 0.70 -1.99 2.57 3.38 -1.59 0.29 115.31 117.58 2dnf h LEU 46 Ca -0.09 0.10 0.26 0.00 0.09 0.00 0.00 57.88 58.24 2dnf h LEU 46 Cb 0.88 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2dnf h LEU 46 CO 0.09 0.22 0.66 -0.61 0.09 0.00 0.00 178.44 178.88 2dnf h GLN 47 N 0.66 0.01 0.04 1.13 5.75 -1.25 0.81 115.11 122.25 2dnf h GLN 47 Ca 0.58 -0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.75 2dnf h GLN 47 Cb 1.05 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2dnf h GLN 47 CO -0.37 0.00 -1.95 -1.33 -2.65 0.00 0.00 178.83 172.53 2dnf n MET 48 N -4.27 0.68 -0.24 1.69 2.81 0.95 -3.95 117.12 114.79 2dnf n MET 48 Ca 0.19 0.23 -0.01 0.00 -1.81 0.00 0.00 57.70 56.30 2dnf n MET 48 Cb 0.98 -1.71 0.20 0.00 -0.71 0.00 0.00 33.22 31.97 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 0.02 1.22 -0.45 2.03 2.07 -0.09 -2.37 116.25 118.68 2dnf h VAL 49 Ca -0.39 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 2dnf h VAL 49 Cb 2.04 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2dnf h VAL 49 CO 0.06 0.23 -0.14 0.74 0.02 0.00 0.00 177.57 178.48 2dnf h THR 50 N 1.07 1.26 -0.79 2.57 2.02 -1.27 0.93 112.91 118.71 2dnf h THR 50 Ca 0.28 -1.24 0.20 0.00 0.77 0.00 0.00 66.41 66.43 2dnf h THR 50 Cb -0.04 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2dnf h THR 50 CO -0.05 0.42 0.55 -0.33 0.37 0.00 0.00 175.52 176.48 2dnf h GLU 51 N 0.75 0.17 0.03 6.66 5.08 -1.55 -2.48 114.58 123.24 2dnf h GLU 51 Ca 0.12 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.09 2dnf h GLU 51 Cb 0.65 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 2dnf h GLU 51 CO 0.05 0.11 -2.21 1.63 -1.00 0.00 0.00 179.01 177.59 2dnf n LYS 52 N -4.39 0.65 -3.87 2.33 4.76 -1.05 -4.81 118.16 111.79 2dnf n LYS 52 Ca 0.16 0.26 -0.34 0.00 -2.87 0.00 0.00 58.31 55.52 2dnf n LYS 52 Cb 0.74 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.51 2.94 -0.53 -0.18 -1.09 0.30 -4.99 121.20 115.13 2dnf s ILE 53 Ca -0.32 -2.39 -0.17 0.00 -2.23 0.00 0.00 60.65 55.54 2dnf s ILE 53 Cb 0.09 -3.05 0.10 0.00 -1.58 0.00 0.00 42.46 38.03 2dnf s ILE 53 CO 0.62 -0.70 0.53 -0.89 -1.23 0.00 0.00 174.94 173.27 2dnf s THR 54 N 0.77 5.11 0.29 2.92 2.01 -1.14 -4.16 115.64 121.44 2dnf s THR 54 Ca 0.11 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 2dnf s THR 54 Cb -0.22 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 67.88 2dnf s THR 54 CO -0.05 -0.85 1.25 -0.76 -0.69 0.00 0.00 174.62 173.53 2dnf s LEU 55 N 1.92 4.46 0.32 4.42 1.43 -0.70 -4.90 118.68 125.62 2dnf s LEU 55 Ca 0.06 2.52 0.10 0.00 -1.03 0.00 0.00 54.13 55.78 2dnf s LEU 55 Cb -0.27 -3.64 0.93 0.00 0.03 0.00 0.00 46.19 43.24 2dnf s LEU 55 CO 0.05 -0.43 1.70 -0.09 0.23 0.00 0.00 176.35 177.81 2dnf h ARG 56 N 3.90 0.45 -0.08 1.70 9.65 -1.96 0.79 114.38 128.82 2dnf h ARG 56 Ca -0.47 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.31 2dnf h ARG 56 Cb 1.22 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 2dnf h ARG 56 CO 0.68 0.30 -0.24 1.03 2.80 0.00 0.00 179.97 184.54 2dnf h SER 57 N 0.46 0.13 0.00 -3.80 0.87 -2.01 -3.49 113.55 105.72 2dnf h SER 57 Ca 0.66 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 2dnf h SER 57 Cb 1.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2dnf h SER 57 CO -0.53 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 2dnf n GLY 58 N -0.69 -0.06 3.94 5.77 0.00 0.27 -4.99 105.19 109.42 2dnf n GLY 58 Ca -0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 2.35 -0.19 4.61 0.00 -1.26 -1.73 121.76 124.54 2dnf s ALA 59 Ca 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 2dnf s ALA 59 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2dnf s ALA 59 CO 0.00 -2.38 0.35 0.54 0.00 0.00 0.00 175.76 174.27 2dnf s VAL 60 N -3.84 5.25 -0.13 0.00 0.11 -1.26 -4.32 120.40 116.20 2dnf s VAL 60 Ca 0.74 0.62 0.13 0.00 -2.93 0.00 0.00 61.98 60.54 2dnf s VAL 60 Cb -0.04 -3.68 -0.18 0.00 -1.53 0.00 0.00 36.38 30.95 2dnf s VAL 60 CO 0.52 0.31 0.06 1.41 -3.33 0.00 0.00 175.10 174.07 2dnf n HIS 61 N 4.14 0.00 -4.15 1.54 8.25 -1.14 -4.84 115.22 119.02 2dnf n HIS 61 Ca -0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 2dnf n HIS 61 Cb 0.51 -0.68 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 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 -2.37 0.77 0.08 -0.41 0.52 -0.59 -5.06 118.95 111.90 2dnf s ARG 62 Ca -0.07 -1.25 0.08 0.00 -0.52 0.00 0.00 55.73 53.97 2dnf s ARG 62 Cb 0.04 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2dnf s ARG 62 CO 0.58 -0.02 -0.17 -0.51 0.02 0.00 0.00 175.30 175.20 2dnf s LEU 63 N -2.84 2.73 -0.03 2.53 2.01 -1.26 -1.11 118.68 120.70 2dnf s LEU 63 Ca 0.09 -0.48 -0.01 0.00 0.01 0.00 0.00 54.13 53.74 2dnf s LEU 63 Cb 0.04 -1.58 0.03 0.00 0.01 0.00 0.00 46.19 44.69 2dnf s LEU 63 CO -0.05 0.21 0.05 -0.31 1.01 0.00 0.00 176.35 177.26 2dnf s TYR 64 N -1.07 0.03 0.82 0.29 1.51 -0.52 -2.61 117.35 115.80 2dnf s TYR 64 Ca 0.17 0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 56.31 2dnf s TYR 64 Cb -0.11 -0.31 0.09 0.00 -0.11 0.00 0.00 41.96 41.52 2dnf s TYR 64 CO 0.09 -0.13 1.11 0.95 -1.11 0.00 0.00 175.55 176.46 2dnf s THR 65 N 1.46 2.74 0.55 -0.71 -4.23 0.31 -1.16 115.64 114.59 2dnf s THR 65 Ca -0.04 0.24 0.24 0.00 -1.18 0.00 0.00 61.69 60.94 2dnf s THR 65 Cb -0.13 -3.02 0.35 0.00 1.34 0.00 0.00 72.50 71.05 2dnf s THR 65 CO -0.03 -0.32 2.08 -0.07 -0.54 0.00 0.00 174.62 175.74 2dnf h LEU 66 N -1.18 0.00 -0.23 4.79 4.07 -1.90 0.29 115.31 121.15 2dnf h LEU 66 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 2dnf h LEU 66 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 2dnf h LEU 66 CO 0.61 0.00 0.00 -0.33 -1.08 0.00 0.00 178.44 177.64 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 5.08 -1.96 -3.47 114.58 115.36 2dnf h GLU 67 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dnf h GLU 67 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dnf h GLU 67 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2dnf n GLY 68 N 0.96 0.82 3.80 -3.84 0.00 0.10 -5.09 105.19 101.94 2dnf n GLY 68 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 3.98 -0.02 1.61 2.47 -1.26 -4.72 119.74 120.97 2dnf s LYS 69 Ca 0.00 1.31 -0.06 0.00 -1.56 0.00 0.00 55.97 55.66 2dnf s LYS 69 Cb 0.00 -2.18 -0.04 0.00 -1.46 0.00 0.00 37.83 34.14 2dnf s LYS 69 CO 0.00 -0.27 0.23 -1.17 0.16 0.00 0.00 175.35 174.30 2dnf s LEU 70 N -3.27 4.38 -0.69 5.43 2.96 -1.26 -0.53 118.68 125.69 2dnf s LEU 70 Ca 0.64 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 2dnf s LEU 70 Cb -0.15 -2.55 0.17 0.00 0.50 0.00 0.00 46.19 44.16 2dnf s LEU 70 CO 0.19 0.28 0.49 -0.69 -1.32 0.00 0.00 176.35 175.30 2dnf s VAL 71 N -1.25 3.28 0.62 1.68 1.01 -1.07 -4.91 120.40 119.76 2dnf s VAL 71 Ca 0.25 -3.73 0.33 0.00 0.00 0.00 0.00 61.98 58.83 2dnf s VAL 71 Cb -0.13 -3.14 0.37 0.00 0.00 0.00 0.00 36.38 33.47 2dnf s VAL 71 CO 0.15 -0.95 2.13 -0.33 0.00 0.00 0.00 175.10 176.09 2dnf h GLU 72 N 6.08 0.00 -2.61 2.72 5.08 -1.97 -3.41 114.58 120.48 2dnf h GLU 72 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2dnf h GLU 72 Cb 0.83 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.86 2dnf h GLU 72 CO 0.74 0.00 -0.15 -1.12 -1.00 0.00 0.00 179.01 177.48 2dnf s SER 73 N -5.39 -0.47 0.64 1.42 0.01 -1.26 -4.98 113.70 103.67 2dnf s SER 73 Ca -0.04 0.82 0.14 0.00 1.31 0.00 0.00 55.95 58.18 2dnf s SER 73 Cb 0.13 0.85 0.61 0.00 0.21 0.00 0.00 66.02 67.82 2dnf s SER 73 CO 0.46 -0.24 1.28 1.23 0.41 0.00 0.00 173.24 176.39 2dnf h GLY 74 N 5.01 0.00 -0.13 3.44 0.00 -1.82 -0.61 103.07 108.97 2dnf h GLY 74 Ca -0.28 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.19 2dnf h GLY 74 CO 0.25 0.00 0.93 0.00 0.00 0.00 0.00 176.54 177.72 2dnf h ALA 75 N 0.45 2.32 0.03 3.60 0.00 -1.95 1.77 119.26 125.48 2dnf h ALA 75 Ca 0.16 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 2dnf h ALA 75 Cb 2.04 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 2dnf h ALA 75 CO -0.00 -1.17 -1.75 0.93 0.00 0.00 0.00 179.25 177.25 2dnf h GLU 76 N 0.00 0.07 -6.39 0.00 5.08 -1.49 -3.48 114.58 108.38 2dnf h GLU 76 Ca 0.22 -0.12 -0.51 0.00 -1.00 0.00 0.00 59.36 57.94 2dnf h GLU 76 Cb 2.08 0.05 0.24 0.00 0.50 0.00 0.00 28.75 31.62 2dnf h GLU 76 CO -0.00 0.70 -1.49 1.28 -1.00 0.00 0.00 179.01 178.49 2dnf n LEU 77 N -3.17 -2.85 -3.85 1.33 4.77 0.60 -5.03 117.00 108.81 2dnf n LEU 77 Ca -0.20 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2dnf n LEU 77 Cb 1.05 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2dnf n LEU 77 CO 0.45 -3.90 -0.08 -0.70 -1.33 0.00 0.00 177.39 171.83 2dnf s GLU 78 N -2.82 0.87 -0.19 3.23 2.12 -1.26 -5.07 118.70 115.57 2dnf s GLU 78 Ca 0.48 -0.95 -0.29 0.00 0.36 0.00 0.00 54.97 54.56 2dnf s GLU 78 Cb -0.11 0.35 -0.00 0.00 0.26 0.00 0.00 34.13 34.63 2dnf s GLU 78 CO 0.71 -0.28 1.10 1.21 -0.54 0.00 0.00 175.26 177.46 2dnf s ASN 79 N -2.86 7.08 -0.17 -1.70 2.47 -1.26 -3.50 114.94 114.99 2dnf s ASN 79 Ca 0.05 1.50 -0.01 0.00 0.42 0.00 0.00 52.86 54.82 2dnf s ASN 79 Cb 0.05 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 2dnf s ASN 79 CO -0.11 -0.66 0.14 0.61 -3.72 0.00 0.00 177.10 173.36 2dnf n GLY 80 N 3.36 0.74 3.54 1.21 0.00 -0.99 -5.02 105.19 108.04 2dnf n GLY 80 Ca 0.12 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.09 1.81 0.01 1.61 -1.52 -1.23 -5.04 119.66 110.22 2dnf s GLN 81 Ca 0.07 -1.99 0.04 0.00 -1.95 0.00 0.00 55.36 51.53 2dnf s GLN 81 Cb -0.03 -1.42 -0.03 0.00 -0.22 0.00 0.00 33.01 31.31 2dnf s GLN 81 CO 0.08 -0.03 -0.10 -0.06 -0.25 0.00 0.00 175.29 174.93 2dnf s PHE 82 N -2.86 2.79 -0.08 0.91 0.40 -1.26 -2.08 117.98 115.80 2dnf s PHE 82 Ca 0.34 -0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.50 2dnf s PHE 82 Cb 0.07 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 42.06 2dnf s PHE 82 CO 0.16 0.34 0.20 0.71 0.70 0.00 0.00 175.22 177.33 2dnf s TYR 83 N -0.98 -0.23 -0.09 0.36 1.51 -0.47 -4.48 117.35 112.97 2dnf s TYR 83 Ca 0.16 0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 56.70 2dnf s TYR 83 Cb -0.11 0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 2dnf s TYR 83 CO 0.07 -0.12 0.19 0.08 -1.11 0.00 0.00 175.55 174.66 2dnf s VAL 84 N 0.20 5.42 -0.12 0.71 1.01 -0.31 -1.83 120.40 125.49 2dnf s VAL 84 Ca -0.01 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2dnf s VAL 84 Cb -0.02 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2dnf s VAL 84 CO -0.00 0.59 0.58 0.00 0.00 0.00 0.00 175.10 176.28 2dnf s ALA 85 N -1.06 3.44 -0.21 5.51 0.00 0.44 -1.44 121.76 128.44 2dnf s ALA 85 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2dnf s ALA 85 Cb -0.13 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.21 2dnf s ALA 85 CO 0.06 -0.15 -0.15 0.08 0.00 0.00 0.00 175.76 175.60 2dnf s VAL 86 N 0.96 1.98 0.00 0.00 1.01 -0.26 -2.71 120.40 121.37 2dnf s VAL 86 Ca 0.30 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2dnf s VAL 86 Cb -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2dnf s VAL 86 CO 0.13 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2dnf n GLY 87 N 4.58 -0.25 1.86 4.51 0.00 -1.26 -1.54 105.19 113.09 2dnf n GLY 87 Ca -0.17 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 1.64 -3.83 1.61 1.74 -1.26 -4.53 116.66 112.04 2dnf n ARG 88 Ca 0.00 -0.95 -0.11 0.00 -0.77 0.00 0.00 57.85 56.03 2dnf n ARG 88 Cb 0.00 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 2dnf n ARG 88 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dnf s ASP 89 N 1.36 -0.01 0.87 0.55 2.15 -1.26 -5.15 116.67 115.18 2dnf s ASP 89 Ca 0.33 -0.28 -0.15 0.00 0.43 0.00 0.00 52.55 52.88 2dnf s ASP 89 Cb 0.19 0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 43.07 2dnf s ASP 89 CO -0.03 -0.54 0.18 2.29 -0.17 0.00 0.00 175.17 176.90 2dnf n LYS 90 N 0.80 -0.05 -3.00 4.34 0.00 -1.26 -4.91 118.16 114.09 2dnf n LYS 90 Ca -0.19 0.02 -0.40 0.00 -0.00 0.00 0.00 58.31 57.73 2dnf n LYS 90 Cb 0.58 -1.64 -0.05 0.00 -0.00 0.00 0.00 35.03 33.92 2dnf n LYS 90 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2dnf s PHE 91 N -2.16 3.46 -0.99 5.58 5.36 -1.26 -4.94 117.98 123.03 2dnf s PHE 91 Ca 0.56 1.17 -0.17 0.00 -0.96 0.00 0.00 56.93 57.54 2dnf s PHE 91 Cb -0.26 -2.89 0.15 0.00 -0.34 0.00 0.00 43.02 39.68 2dnf s PHE 91 CO 0.68 -0.11 1.16 0.15 -1.46 0.00 0.00 175.22 175.64 2dnf s LYS 92 N 1.64 3.73 -0.47 10.12 1.02 -1.26 -4.98 119.74 129.54 2dnf s LYS 92 Ca 0.36 -2.06 -0.32 0.00 0.02 0.00 0.00 55.97 53.97 2dnf s LYS 92 Cb -0.17 -4.90 -0.12 0.00 -0.52 0.00 0.00 37.83 32.13 2dnf s LYS 92 CO 0.14 -1.71 2.32 1.17 -0.92 0.00 0.00 175.35 176.34 2dnf n LYS 93 N 5.99 0.97 -4.14 1.68 0.00 -1.26 -4.58 118.16 116.82 2dnf n LYS 93 Ca 0.26 0.20 -0.14 0.00 0.00 0.00 0.00 58.31 58.63 2dnf n LYS 93 Cb 0.47 -2.59 -0.11 0.00 0.00 0.00 0.00 35.03 32.81 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 8.71 2.35 -0.51 3.14 1.43 -1.26 -5.10 118.68 127.44 2dnf s LEU 94 Ca 1.10 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 53.21 2dnf s LEU 94 Cb -0.73 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2dnf s LEU 94 CO 0.43 -0.24 1.80 -2.16 0.23 0.00 0.00 176.35 176.41 2dnf s PRO 95 N -2.36 2.93 -0.21 1.29 0.04 -1.26 -4.80 135.00 130.63 2dnf s PRO 95 Ca -0.00 0.88 0.14 0.00 0.04 0.00 0.00 61.00 62.06 2dnf s PRO 95 Cb -0.05 -4.30 -0.23 0.00 0.04 0.00 0.00 34.50 29.96 2dnf s PRO 95 CO -0.00 -2.36 0.01 0.66 0.04 0.00 0.00 177.00 175.35 2dnf n TYR 96 N 11.63 0.03 0.04 0.56 4.01 -1.26 -4.32 117.16 127.85 2dnf n TYR 96 Ca 0.21 0.01 0.22 0.00 -0.16 0.00 0.00 57.90 58.18 2dnf n TYR 96 Cb 0.50 -1.01 0.72 0.00 -0.31 0.00 0.00 39.34 39.25 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 3.47 0.00 1.43 2.72 0.00 -1.97 0.18 103.07 108.89 2dnf h GLY 97 Ca -0.55 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.53 2dnf h GLY 97 CO 0.00 0.00 -1.02 0.83 0.00 0.00 0.00 176.54 176.35 2dnf h GLU 98 N 0.00 0.50 0.00 4.80 4.39 -1.84 -3.20 114.58 119.24 2dnf h GLU 98 Ca 0.24 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 2dnf h GLU 98 Cb 1.29 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2dnf h GLU 98 CO -0.00 1.20 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.69 2dnf h LEU 99 N 0.27 0.00 0.43 1.33 3.38 -0.88 -3.16 115.31 116.68 2dnf h LEU 99 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2dnf h LEU 99 Cb 1.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2dnf h LEU 99 CO 0.19 0.29 -0.45 -0.07 0.09 0.00 0.00 178.44 178.48 2dnf h LEU 100 N 0.00 -1.23 0.00 1.67 3.38 -1.44 -3.46 115.31 114.22 2dnf h LEU 100 Ca -0.00 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2dnf h LEU 100 Cb 0.54 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2dnf h LEU 100 CO 0.04 -0.60 -0.11 2.22 0.09 0.00 0.00 178.44 180.08 2dnf n PHE 101 N -5.53 -0.88 -4.16 1.13 -1.74 -1.20 -5.03 117.46 100.06 2dnf n PHE 101 Ca -0.11 -1.30 -0.11 0.00 -0.56 0.00 0.00 57.45 55.38 2dnf n PHE 101 Cb 0.43 0.27 -0.10 0.00 1.52 0.00 0.00 39.48 41.60 2dnf n PHE 101 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2dnf s ASP 102 N -2.17 1.11 0.28 5.98 2.15 -1.26 -4.69 116.67 118.07 2dnf s ASP 102 Ca 0.17 -0.97 0.01 0.00 0.43 0.00 0.00 52.55 52.18 2dnf s ASP 102 Cb -0.00 0.09 0.64 0.00 -0.30 0.00 0.00 42.92 43.35 2dnf s ASP 102 CO 0.12 -0.44 1.67 -1.28 -0.17 0.00 0.00 175.17 175.07 2dnf h SER 103 N 3.09 0.11 -0.20 -0.34 0.87 -2.01 -3.40 113.55 111.68 2dnf h SER 103 Ca -0.35 0.17 -0.56 0.00 -1.23 0.00 0.00 61.79 59.81 2dnf h SER 103 Cb 1.17 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 63.26 2dnf h SER 103 CO 0.63 -0.07 1.64 0.61 -0.53 0.00 0.00 176.83 179.11 2dnf n GLY 104 N -1.36 -0.31 3.56 5.77 0.00 -1.26 -4.77 105.19 106.83 2dnf n GLY 104 Ca 0.19 1.10 -0.27 0.00 0.00 0.00 0.00 46.02 47.04 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 8.18 2.54 0.37 1.61 0.04 -1.26 -4.95 135.00 141.52 2dnf s PRO 105 Ca 1.28 -0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.61 2dnf s PRO 105 Cb -1.19 -5.09 -0.09 0.00 0.04 0.00 0.00 34.50 28.16 2dnf s PRO 105 CO 0.51 -3.49 1.16 -1.54 0.04 0.00 0.00 177.00 173.68 2dnf s SER 106 N 7.77 6.71 -0.94 6.66 1.04 -1.26 -4.97 113.70 128.71 2dnf s SER 106 Ca 0.70 2.34 -0.15 0.00 0.48 0.00 0.00 55.95 59.32 2dnf s SER 106 Cb -0.06 -2.62 0.19 0.00 0.10 0.00 0.00 66.02 63.64 2dnf s SER 106 CO 0.02 -0.54 1.00 -0.94 0.98 0.00 0.00 173.24 173.76 2dnf s SER 107 N -1.06 6.82 0.00 7.02 1.04 -1.26 -5.25 113.70 121.01 2dnf s SER 107 Ca 0.54 -2.62 0.15 0.00 0.48 0.00 0.00 55.95 54.50 2dnf s SER 107 Cb -0.31 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.63 2dnf s SER 107 CO 0.39 -0.72 0.97 0.61 0.98 0.00 0.00 173.24 175.48