#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnf n SER 2 N 0.00 -0.14 -0.12 1.61 2.88 -1.26 -4.84 113.62 111.75 2dnf n SER 2 Ca 0.00 -1.18 -0.25 0.00 -1.33 0.00 0.00 58.87 56.11 2dnf n SER 2 Cb 0.00 -1.45 -0.11 0.00 -0.75 0.00 0.00 64.21 61.90 2dnf n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnf n SER 3 N -2.45 1.96 -3.72 -3.46 2.88 -1.26 -5.00 113.62 102.58 2dnf n SER 3 Ca -0.26 0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.21 2dnf n SER 3 Cb 0.61 -0.75 0.27 0.00 -0.75 0.00 0.00 64.21 63.59 2dnf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnf s GLY 4 N -5.66 1.48 -0.77 0.46 0.00 -1.26 -4.92 107.32 96.65 2dnf s GLY 4 Ca -0.35 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 2dnf s GLY 4 CO 0.55 0.18 2.04 1.44 0.00 0.00 0.00 173.10 177.31 2dnf n SER 5 N -5.28 7.59 -3.62 1.64 7.64 -1.26 -4.82 113.62 115.52 2dnf n SER 5 Ca 0.11 -3.81 -0.23 0.00 1.01 0.00 0.00 58.87 55.95 2dnf n SER 5 Cb 0.59 -1.04 0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2dnf n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dnf n SER 6 N -0.67 -4.44 0.00 6.43 7.64 -1.26 -4.79 113.62 116.53 2dnf n SER 6 Ca 0.57 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2dnf n SER 6 Cb 0.40 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 2dnf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnf n GLY 7 N -1.68 -0.66 4.13 0.23 0.00 -1.26 -5.03 105.19 100.92 2dnf n GLY 7 Ca -0.10 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 2dnf n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dnf n ARG 8 N 0.00 -3.03 -3.85 1.61 3.00 -1.26 -4.94 116.66 108.19 2dnf n ARG 8 Ca 0.00 0.36 -0.25 0.00 -0.00 0.00 0.00 57.85 57.96 2dnf n ARG 8 Cb 0.00 -4.74 -0.03 0.00 0.00 0.00 0.00 32.46 27.69 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 -6.82 3.46 0.98 -0.14 1.02 -1.26 -5.10 119.74 111.88 2dnf s LYS 9 Ca 0.38 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.71 2dnf s LYS 9 Cb -0.21 -2.90 0.18 0.00 -0.52 0.00 0.00 37.83 34.38 2dnf s LYS 9 CO 0.92 0.45 1.09 -1.25 -0.92 0.00 0.00 175.35 175.64 2dnf s PRO 10 N -3.44 0.56 0.42 -1.68 0.04 -1.26 -4.94 135.00 124.70 2dnf s PRO 10 Ca 0.36 0.57 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 2dnf s PRO 10 Cb -0.11 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 2dnf s PRO 10 CO 0.29 -2.66 0.17 1.28 0.04 0.00 0.00 177.00 176.13 2dnf n LEU 11 N -4.13 -2.29 -2.07 -3.56 4.32 -1.26 -4.90 117.00 103.11 2dnf n LEU 11 Ca 0.05 0.82 -0.24 0.00 -0.02 0.00 0.00 56.01 56.62 2dnf n LEU 11 Cb 0.57 -0.93 0.02 0.00 -1.62 0.00 0.00 43.42 41.45 2dnf n LEU 11 CO 0.57 -3.97 0.18 0.00 -1.22 0.00 0.00 177.39 172.95 2dnf n GLN 12 N 1.16 3.59 -2.02 3.23 3.00 -1.26 -5.07 117.38 120.01 2dnf n GLN 12 Ca 0.11 -4.20 -0.38 0.00 -0.01 0.00 0.00 57.00 52.52 2dnf n GLN 12 Cb 0.41 -2.27 0.02 0.00 0.00 0.00 0.00 30.24 28.39 2dnf n GLN 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2dnf s GLU 13 N -3.59 3.46 0.98 -1.09 0.41 -1.26 -4.43 118.70 113.18 2dnf s GLU 13 Ca 0.51 2.01 -0.12 0.00 -0.41 0.00 0.00 54.97 56.96 2dnf s GLU 13 Cb 0.41 -2.34 0.18 0.00 -1.78 0.00 0.00 34.13 30.59 2dnf s GLU 13 CO 0.02 -0.86 1.09 -1.25 -0.49 0.00 0.00 175.26 173.76 2dnf s PRO 14 N -2.79 0.58 -0.21 0.39 0.04 -1.26 -4.58 135.00 127.17 2dnf s PRO 14 Ca 0.67 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 2dnf s PRO 14 Cb -0.35 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.51 2dnf s PRO 14 CO 0.42 -2.64 0.02 0.00 0.04 0.00 0.00 177.00 174.83 2dnf s THR 16 N 1.73 4.26 0.14 0.00 2.01 -1.26 -3.10 115.64 119.42 2dnf s THR 16 Ca -0.01 1.57 0.06 0.00 0.31 0.00 0.00 61.69 63.61 2dnf s THR 16 Cb -0.18 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2dnf s THR 16 CO -0.09 -0.05 -0.13 0.27 -0.69 0.00 0.00 174.62 173.94 2dnf s ILE 17 N 2.63 1.34 -0.17 1.82 -4.36 -1.02 -0.12 121.20 121.32 2dnf s ILE 17 Ca 0.55 -1.91 -0.07 0.00 -0.26 0.00 0.00 60.65 58.96 2dnf s ILE 17 Cb -0.24 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2dnf s ILE 17 CO 0.19 -0.56 0.06 -0.36 0.24 0.00 0.00 174.94 174.52 2dnf s PHE 18 N -2.67 3.26 0.07 1.37 0.40 0.93 -0.66 117.98 120.67 2dnf s PHE 18 Ca 0.14 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 2dnf s PHE 18 Cb -0.02 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2dnf s PHE 18 CO 0.03 0.20 -0.06 -0.51 0.70 0.00 0.00 175.22 175.58 2dnf s LEU 19 N 0.21 3.22 -0.01 -0.37 2.01 -0.32 -0.09 118.68 123.33 2dnf s LEU 19 Ca 0.04 -0.25 0.00 0.00 0.01 0.00 0.00 54.13 53.93 2dnf s LEU 19 Cb -0.12 -1.96 0.01 0.00 0.01 0.00 0.00 46.19 44.13 2dnf s LEU 19 CO 0.00 0.20 0.00 -0.63 1.01 0.00 0.00 176.35 176.94 2dnf s ILE 20 N -1.20 0.05 0.06 -0.59 1.01 -0.83 0.46 121.20 120.17 2dnf s ILE 20 Ca 0.22 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.61 2dnf s ILE 20 Cb -0.11 -0.11 -0.07 0.00 0.01 0.00 0.00 42.46 42.18 2dnf s ILE 20 CO 0.14 0.06 1.49 0.00 0.00 0.00 0.00 174.94 176.63 2dnf s ALA 21 N 0.44 3.63 0.31 9.38 0.00 -1.26 -0.70 121.76 133.56 2dnf s ALA 21 Ca -0.04 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2dnf s ALA 21 Cb -0.06 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 2dnf s ALA 21 CO -0.01 -0.89 1.56 1.21 0.00 0.00 0.00 175.76 177.63 2dnf s ASN 22 N 1.80 6.37 -0.28 0.00 2.47 -1.06 -1.87 114.94 122.37 2dnf s ASN 22 Ca 0.68 2.97 0.00 0.00 0.42 0.00 0.00 52.86 56.92 2dnf s ASN 22 Cb -0.36 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.79 2dnf s ASN 22 CO 0.30 -0.90 0.00 0.61 -3.72 0.00 0.00 177.10 173.39 2dnf n GLY 23 N 1.72 0.59 3.21 1.21 0.00 -1.26 -5.01 105.19 105.65 2dnf n GLY 23 Ca 0.06 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.58 3.74 -0.12 1.61 2.15 -0.78 -4.96 116.67 115.72 2dnf s ASP 24 Ca 0.00 -0.54 0.14 0.00 0.43 0.00 0.00 52.55 52.58 2dnf s ASP 24 Cb 0.00 -1.61 0.30 0.00 -0.30 0.00 0.00 42.92 41.31 2dnf s ASP 24 CO 0.00 -0.02 1.15 0.18 -0.17 0.00 0.00 175.17 176.31 2dnf n LEU 25 N 4.71 1.96 -0.03 -1.34 7.99 -1.26 -4.76 117.00 124.26 2dnf n LEU 25 Ca -0.19 -2.90 -0.06 0.00 -0.01 0.00 0.00 56.01 52.85 2dnf n LEU 25 Cb 0.50 -0.35 -0.02 0.00 -0.11 0.00 0.00 43.42 43.44 2dnf n LEU 25 CO 0.27 0.82 -0.70 -0.38 -1.51 0.00 0.00 177.39 175.90 2dnf n ILE 26 N -0.94 0.32 -3.21 -0.08 -0.00 -1.26 -5.04 119.36 109.14 2dnf n ILE 26 Ca 0.13 -0.08 -0.35 0.00 -0.00 0.00 0.00 62.75 62.45 2dnf n ILE 26 Cb 0.71 -1.49 -0.06 0.00 -0.00 0.00 0.00 39.64 38.80 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 -5.42 6.91 0.88 4.38 0.02 -1.26 -5.08 114.94 115.37 2dnf s ASN 27 Ca -0.08 1.25 0.00 0.00 -1.02 0.00 0.00 52.86 53.01 2dnf s ASN 27 Cb 0.03 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 38.94 2dnf s ASN 27 CO 0.10 0.02 0.00 -0.81 0.02 0.00 0.00 177.10 176.44 2dnf n PRO 28 N 0.57 -0.78 -1.16 -0.60 -0.04 -1.26 -4.94 135.00 126.79 2dnf n PRO 28 Ca -0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2dnf n PRO 28 Cb 0.52 0.00 0.09 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 n ALA 29 N -3.00 -0.51 -3.68 0.55 0.00 -1.26 -4.79 120.51 107.82 2dnf n ALA 29 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 53.44 52.26 2dnf n ALA 29 Cb 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.30 2dnf n ALA 29 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dnf s SER 30 N -3.34 2.64 -0.71 0.00 1.04 0.17 -4.88 113.70 108.63 2dnf s SER 30 Ca 0.37 -0.72 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 2dnf s SER 30 Cb -0.01 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 2dnf s SER 30 CO 0.25 -0.33 1.98 -0.60 0.98 0.00 0.00 173.24 175.53 2dnf s ARG 31 N 1.99 2.48 -0.20 4.02 3.52 -1.26 -1.18 118.95 128.32 2dnf s ARG 31 Ca 0.00 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2dnf s ARG 31 Cb -0.17 -4.65 -0.00 0.00 -1.56 0.00 0.00 34.95 28.57 2dnf s ARG 31 CO -0.08 -3.11 -0.09 -1.17 -0.81 0.00 0.00 175.30 170.04 2dnf s LEU 32 N 10.11 2.71 0.05 -0.88 1.98 0.16 -4.95 118.68 127.86 2dnf s LEU 32 Ca 0.73 -0.44 -0.21 0.00 -2.89 0.00 0.00 54.13 51.32 2dnf s LEU 32 Cb -0.11 -1.67 -0.06 0.00 0.66 0.00 0.00 46.19 45.01 2dnf s LEU 32 CO 0.13 0.01 0.64 -0.22 -1.89 0.00 0.00 176.35 175.02 2dnf s LEU 33 N 1.28 4.48 -0.13 -0.68 2.96 -1.26 -2.42 118.68 122.91 2dnf s LEU 33 Ca 0.03 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 2dnf s LEU 33 Cb -0.14 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.55 2dnf s LEU 33 CO -0.04 0.16 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 2dnf s ILE 34 N -0.62 1.79 0.45 6.68 1.01 -1.18 -5.00 121.20 124.33 2dnf s ILE 34 Ca 0.32 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 2dnf s ILE 34 Cb -0.20 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 2dnf s ILE 34 CO 0.20 0.50 1.17 -2.16 0.00 0.00 0.00 174.94 174.64 2dnf s PRO 35 N 0.97 3.80 0.15 2.79 0.04 -1.26 -2.77 135.00 138.73 2dnf s PRO 35 Ca -0.05 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 2dnf s PRO 35 Cb -0.15 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2dnf s PRO 35 CO -0.03 -0.52 1.60 -0.09 0.04 0.00 0.00 177.00 178.00 2dnf h ARG 36 N 2.14 -0.30 -0.97 4.56 1.12 -1.81 0.19 114.38 119.32 2dnf h ARG 36 Ca -0.49 0.02 0.31 0.00 -1.11 0.00 0.00 59.98 58.70 2dnf h ARG 36 Cb 1.25 0.07 -0.15 0.00 -0.01 0.00 0.00 29.97 31.12 2dnf h ARG 36 CO 0.61 -0.20 0.43 -0.22 -3.11 0.00 0.00 179.97 177.47 2dnf h LYS 37 N -0.31 0.22 0.05 0.20 3.64 -1.92 0.42 116.57 118.87 2dnf h LYS 37 Ca 0.14 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.25 2dnf h LYS 37 Cb 0.55 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2dnf h LYS 37 CO -0.48 0.14 -1.09 1.15 -2.27 0.00 0.00 179.45 176.90 2dnf h THR 38 N 0.22 1.35 -0.06 1.00 2.02 -1.36 -3.17 112.91 112.91 2dnf h THR 38 Ca 0.69 -2.49 0.02 0.00 0.77 0.00 0.00 66.41 65.40 2dnf h THR 38 Cb 1.56 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 70.52 2dnf h THR 38 CO -0.67 0.75 0.29 -0.07 0.37 0.00 0.00 175.52 176.19 2dnf h LEU 39 N 0.26 0.00 -0.19 2.58 3.38 0.27 0.33 115.31 121.94 2dnf h LEU 39 Ca -0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 2dnf h LEU 39 Cb 1.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 2dnf h LEU 39 CO 0.20 0.00 -0.92 0.78 0.09 0.00 0.00 178.44 178.59 2dnf h ASN 40 N 0.00 0.07 -3.79 -0.43 2.35 -1.37 -3.39 115.58 109.01 2dnf h ASN 40 Ca 0.03 -0.07 -0.73 0.00 -0.55 0.00 0.00 56.30 54.98 2dnf h ASN 40 Cb 0.61 -0.02 -0.31 0.00 0.05 0.00 0.00 38.32 38.65 2dnf h ASN 40 CO -0.00 0.95 -0.24 -1.10 -1.65 0.00 0.00 177.43 175.39 2dnf s GLN 41 N -2.97 2.84 0.30 0.81 -0.21 0.11 -4.94 119.66 115.60 2dnf s GLN 41 Ca -0.00 -2.28 0.01 0.00 0.02 0.00 0.00 55.36 53.11 2dnf s GLN 41 Cb 0.10 -3.99 0.72 0.00 1.00 0.00 0.00 33.01 30.84 2dnf s GLN 41 CO 0.81 -1.21 1.60 2.35 -2.12 0.00 0.00 175.29 176.72 2dnf h TRP 42 N 7.67 0.10 -0.75 0.91 -0.00 -1.78 0.68 115.95 122.78 2dnf h TRP 42 Ca -0.04 0.06 0.06 0.00 -0.00 0.00 0.00 58.89 58.97 2dnf h TRP 42 Cb 1.01 0.11 -0.06 0.00 -0.00 0.00 0.00 29.16 30.22 2dnf h TRP 42 CO 0.78 -0.35 0.44 -0.44 -0.00 0.00 0.00 178.44 178.88 2dnf h ASP 43 N 0.08 0.68 -0.46 2.65 5.19 -1.92 -1.60 116.42 121.04 2dnf h ASP 43 Ca 0.57 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.94 2dnf h ASP 43 Cb 1.17 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 2dnf h ASP 43 CO -0.80 0.44 0.07 0.45 -3.12 0.00 0.00 179.24 176.27 2dnf h HIS 44 N 0.82 0.88 0.00 4.55 3.86 0.05 -2.41 115.15 122.89 2dnf h HIS 44 Ca 0.33 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2dnf h HIS 44 Cb 0.17 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2dnf h HIS 44 CO -0.06 0.78 -0.00 0.28 0.86 0.00 0.00 177.93 179.79 2dnf h VAL 45 N 0.80 1.00 -0.75 2.45 2.07 -0.27 -2.81 116.25 118.73 2dnf h VAL 45 Ca 0.16 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 2dnf h VAL 45 Cb 0.38 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2dnf h VAL 45 CO 0.01 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 178.03 2dnf h LEU 46 N -0.00 0.86 -1.65 2.57 3.38 -1.29 -0.76 115.31 118.41 2dnf h LEU 46 Ca -0.00 -0.02 0.33 0.00 0.09 0.00 0.00 57.88 58.28 2dnf h LEU 46 Cb 0.00 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 2dnf h LEU 46 CO 0.00 0.62 0.80 -0.61 0.09 0.00 0.00 178.44 179.34 2dnf h GLN 47 N 1.01 0.17 0.12 1.13 5.75 -1.17 0.59 115.11 122.72 2dnf h GLN 47 Ca 0.28 -0.01 -0.37 0.00 -0.15 0.00 0.00 58.65 58.40 2dnf h GLN 47 Cb -0.11 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2dnf h GLN 47 CO -0.06 0.11 -2.01 -1.33 -2.65 0.00 0.00 178.83 172.89 2dnf n MET 48 N -4.43 0.76 -0.30 1.69 2.81 -0.75 -4.05 117.12 112.85 2dnf n MET 48 Ca 0.28 0.26 0.05 0.00 -1.81 0.00 0.00 57.70 56.47 2dnf n MET 48 Cb 1.14 -1.70 0.20 0.00 -0.71 0.00 0.00 33.22 32.14 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 0.07 0.84 -0.96 2.03 2.07 0.46 -1.05 116.25 119.71 2dnf h VAL 49 Ca -0.43 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2dnf h VAL 49 Cb 2.03 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2dnf h VAL 49 CO 0.08 0.14 0.62 0.74 0.02 0.00 0.00 177.57 179.17 2dnf h THR 50 N 0.74 1.25 -0.84 2.57 2.02 -1.17 0.27 112.91 117.75 2dnf h THR 50 Ca 0.43 -0.47 0.23 0.00 0.77 0.00 0.00 66.41 67.37 2dnf h THR 50 Cb 0.49 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 2dnf h THR 50 CO -0.29 0.25 0.59 -0.33 0.37 0.00 0.00 175.52 176.11 2dnf h GLU 51 N 1.31 0.06 0.03 6.66 5.08 -1.33 -1.83 114.58 124.55 2dnf h GLU 51 Ca 0.35 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.33 2dnf h GLU 51 Cb -0.13 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 2dnf h GLU 51 CO -0.07 0.04 -2.34 1.63 -1.00 0.00 0.00 179.01 177.26 2dnf n LYS 52 N -4.32 0.68 -3.98 2.33 4.76 -0.67 -4.79 118.16 112.17 2dnf n LYS 52 Ca 0.17 0.16 -0.30 0.00 -2.87 0.00 0.00 58.31 55.47 2dnf n LYS 52 Cb 0.87 -1.57 -0.14 0.00 -1.84 0.00 0.00 35.03 32.34 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 2.44 -0.46 -0.18 -1.09 0.85 -5.01 121.20 115.22 2dnf s ILE 53 Ca -0.28 -2.91 -0.10 0.00 -2.23 0.00 0.00 60.65 55.13 2dnf s ILE 53 Cb 0.08 -2.74 0.11 0.00 -1.58 0.00 0.00 42.46 38.33 2dnf s ILE 53 CO 0.67 -0.72 0.33 -0.89 -1.23 0.00 0.00 174.94 173.10 2dnf s THR 54 N 0.21 4.28 0.59 2.92 2.01 -1.08 -4.20 115.64 120.37 2dnf s THR 54 Ca 0.14 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.33 2dnf s THR 54 Cb -0.23 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2dnf s THR 54 CO -0.03 -0.70 1.06 -0.76 -0.69 0.00 0.00 174.62 173.49 2dnf s LEU 55 N 1.40 3.52 0.43 4.42 1.02 -1.20 -4.94 118.68 123.32 2dnf s LEU 55 Ca 0.05 1.82 0.10 0.00 0.02 0.00 0.00 54.13 56.12 2dnf s LEU 55 Cb -0.25 -4.53 0.93 0.00 0.02 0.00 0.00 46.19 42.35 2dnf s LEU 55 CO 0.00 -1.14 2.02 -0.09 0.02 0.00 0.00 176.35 177.17 2dnf h ARG 56 N 0.51 0.26 -0.31 1.70 9.65 -1.98 -2.03 114.38 122.19 2dnf h ARG 56 Ca -0.47 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.29 2dnf h ARG 56 Cb 1.22 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2dnf h ARG 56 CO 0.58 0.27 -0.19 0.66 2.80 0.00 0.00 179.97 184.09 2dnf h SER 57 N 0.26 0.56 -0.37 -3.80 4.64 -2.00 -3.49 113.55 109.36 2dnf h SER 57 Ca 0.06 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2dnf h SER 57 Cb 0.15 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dnf h SER 57 CO 0.00 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2dnf n GLY 58 N -0.45 0.09 3.56 -0.77 0.00 -0.76 -4.97 105.19 101.88 2dnf n GLY 58 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 0.35 0.15 4.61 0.00 -1.26 -3.24 121.76 121.36 2dnf s ALA 59 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2dnf s ALA 59 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 2dnf s ALA 59 CO 0.00 -3.61 0.61 0.08 0.00 0.00 0.00 175.76 172.85 2dnf s VAL 60 N -2.83 4.73 0.00 0.00 1.01 -1.26 -4.41 120.40 117.64 2dnf s VAL 60 Ca 0.69 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2dnf s VAL 60 Cb -0.14 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2dnf s VAL 60 CO 0.58 0.31 0.00 1.41 0.00 0.00 0.00 175.10 177.40 2dnf n HIS 61 N 1.01 0.00 -4.04 5.22 8.25 -1.15 -4.90 115.22 119.61 2dnf n HIS 61 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 2dnf n HIS 61 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.88 1.15 0.28 -0.41 0.52 -0.76 -5.06 118.95 112.80 2dnf s ARG 62 Ca 0.00 -1.30 0.12 0.00 -0.52 0.00 0.00 55.73 54.03 2dnf s ARG 62 Cb 0.00 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.76 2dnf s ARG 62 CO 0.00 -0.40 -0.17 -0.51 0.02 0.00 0.00 175.30 174.23 2dnf s LEU 63 N -3.02 2.67 -0.22 2.53 2.01 -1.26 -1.37 118.68 120.03 2dnf s LEU 63 Ca 0.22 -0.98 -0.10 0.00 0.01 0.00 0.00 54.13 53.27 2dnf s LEU 63 Cb 0.04 -1.18 0.08 0.00 0.01 0.00 0.00 46.19 45.14 2dnf s LEU 63 CO 0.03 0.03 0.52 -0.31 1.01 0.00 0.00 176.35 177.63 2dnf s TYR 64 N -2.49 -0.88 1.18 0.29 1.51 0.02 -3.01 117.35 113.98 2dnf s TYR 64 Ca 0.30 1.71 -0.20 0.00 -1.01 0.00 0.00 57.07 57.88 2dnf s TYR 64 Cb -0.05 0.45 0.28 0.00 -0.11 0.00 0.00 41.96 42.53 2dnf s TYR 64 CO 0.16 -0.47 1.16 0.95 -1.11 0.00 0.00 175.55 176.24 2dnf s THR 65 N 1.97 1.63 -0.49 -0.71 -4.23 -0.49 0.27 115.64 113.60 2dnf s THR 65 Ca -0.07 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.70 2dnf s THR 65 Cb -0.09 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.46 2dnf s THR 65 CO -0.16 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 175.61 2dnf h LEU 66 N -2.49 0.00 0.00 4.79 3.38 -1.91 -2.91 115.31 116.17 2dnf h LEU 66 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2dnf h LEU 66 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dnf h LEU 66 CO 0.31 0.00 -0.56 1.05 0.09 0.00 0.00 178.44 179.33 2dnf h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.95 -3.46 114.58 114.41 2dnf h GLU 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2dnf h GLU 67 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dnf h GLU 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 2dnf n GLY 68 N 1.30 1.23 3.83 1.06 0.00 -1.10 -5.10 105.19 106.42 2dnf n GLY 68 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2dnf n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnf s LYS 69 N -0.13 4.00 -0.17 1.61 2.47 -1.26 -4.87 119.74 121.39 2dnf s LYS 69 Ca 0.00 0.51 -0.11 0.00 -1.56 0.00 0.00 55.97 54.81 2dnf s LYS 69 Cb 0.00 -3.10 -0.05 0.00 -1.46 0.00 0.00 37.83 33.22 2dnf s LYS 69 CO 0.00 0.59 0.18 -1.17 0.16 0.00 0.00 175.35 175.11 2dnf s LEU 70 N -1.49 4.26 -0.42 5.43 2.96 -1.26 -1.39 118.68 126.76 2dnf s LEU 70 Ca 0.31 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 2dnf s LEU 70 Cb -0.17 -2.17 0.11 0.00 0.50 0.00 0.00 46.19 44.47 2dnf s LEU 70 CO 0.18 0.20 0.22 -0.69 -1.32 0.00 0.00 176.35 174.94 2dnf s VAL 71 N 0.11 3.39 -2.17 1.68 1.01 -1.16 -4.91 120.40 118.34 2dnf s VAL 71 Ca 0.12 -2.04 0.18 0.00 0.00 0.00 0.00 61.98 60.24 2dnf s VAL 71 Cb -0.12 -3.32 0.42 0.00 0.00 0.00 0.00 36.38 33.37 2dnf s VAL 71 CO 0.01 -0.70 1.42 -0.62 0.00 0.00 0.00 175.10 175.21 2dnf n GLU 72 N 4.62 2.00 -3.70 2.72 1.02 -1.26 -4.13 120.64 121.91 2dnf n GLU 72 Ca -0.03 -1.52 -0.10 0.00 -0.02 0.00 0.00 57.16 55.49 2dnf n GLU 72 Cb 0.41 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 2dnf n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dnf s SER 73 N -1.28 -0.15 -0.02 1.62 0.15 -1.26 -5.01 113.70 107.75 2dnf s SER 73 Ca 0.32 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2dnf s SER 73 Cb 0.17 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2dnf s SER 73 CO 0.24 -0.78 1.03 0.61 1.20 0.00 0.00 173.24 175.54 2dnf n GLY 74 N -0.03 2.09 0.03 9.45 0.00 -1.26 -3.41 105.19 112.05 2dnf n GLY 74 Ca -0.16 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.44 2.46 0.14 4.61 0.00 -1.26 -4.34 120.51 122.55 2dnf n ALA 75 Ca 0.02 -0.61 0.07 0.00 0.00 0.00 0.00 53.44 52.92 2dnf n ALA 75 Cb 0.54 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2dnf n ALA 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dnf h GLU 76 N 0.00 0.00 -7.00 0.00 5.08 -1.97 -3.46 114.58 107.23 2dnf h GLU 76 Ca -0.10 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.73 2dnf h GLU 76 Cb 1.14 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.48 2dnf h GLU 76 CO 0.01 0.20 0.55 -0.51 -1.00 0.00 0.00 179.01 178.26 2dnf s LEU 77 N -6.03 4.02 0.19 1.33 1.43 -1.26 -5.04 118.68 113.32 2dnf s LEU 77 Ca 0.03 2.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.70 2dnf s LEU 77 Cb 0.07 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 2dnf s LEU 77 CO 0.74 -1.08 -0.06 -0.70 0.23 0.00 0.00 176.35 175.48 2dnf s GLU 78 N -2.63 1.19 -0.56 1.70 2.12 -1.26 -5.09 118.70 114.17 2dnf s GLU 78 Ca 0.64 -1.55 -0.28 0.00 0.36 0.00 0.00 54.97 54.14 2dnf s GLU 78 Cb -0.34 -0.65 0.03 0.00 0.26 0.00 0.00 34.13 33.43 2dnf s GLU 78 CO 0.42 0.01 1.15 0.54 -0.54 0.00 0.00 175.26 176.84 2dnf s ASN 79 N -3.23 6.46 0.00 -1.70 4.22 -1.26 -3.52 114.94 115.90 2dnf s ASN 79 Ca 0.22 0.09 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 2dnf s ASN 79 Cb 0.04 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.03 2dnf s ASN 79 CO 0.04 -1.41 0.00 0.61 -2.04 0.00 0.00 177.10 174.30 2dnf n GLY 80 N 5.04 1.15 3.65 0.45 0.00 0.83 -4.95 105.19 111.36 2dnf n GLY 80 Ca 0.08 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.43 2.02 0.16 1.61 -1.52 -1.23 -4.98 119.66 114.30 2dnf s GLN 81 Ca 0.00 -2.23 0.09 0.00 -1.95 0.00 0.00 55.36 51.27 2dnf s GLN 81 Cb 0.00 -1.36 -0.04 0.00 -0.22 0.00 0.00 33.01 31.39 2dnf s GLN 81 CO 0.00 -0.26 -0.12 -0.06 -0.25 0.00 0.00 175.29 174.60 2dnf s PHE 82 N -2.92 2.61 -0.26 0.91 0.40 -1.26 -0.05 117.98 117.41 2dnf s PHE 82 Ca 0.21 -0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 2dnf s PHE 82 Cb 0.05 -1.30 0.08 0.00 0.51 0.00 0.00 43.02 42.35 2dnf s PHE 82 CO 0.11 0.48 0.65 0.71 0.70 0.00 0.00 175.22 177.87 2dnf s TYR 83 N -1.57 -0.96 0.01 0.36 1.51 0.87 -4.63 117.35 112.93 2dnf s TYR 83 Ca 0.23 1.97 -0.21 0.00 -1.01 0.00 0.00 57.07 58.06 2dnf s TYR 83 Cb -0.09 0.54 -0.06 0.00 -0.11 0.00 0.00 41.96 42.25 2dnf s TYR 83 CO 0.14 -0.48 0.60 0.08 -1.11 0.00 0.00 175.55 174.78 2dnf s VAL 84 N 1.47 4.87 -0.23 0.71 1.01 0.14 -1.97 120.40 126.40 2dnf s VAL 84 Ca -0.09 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 2dnf s VAL 84 Cb -0.05 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2dnf s VAL 84 CO -0.17 0.43 0.59 0.00 0.00 0.00 0.00 175.10 175.96 2dnf s ALA 85 N -0.31 3.58 -0.22 5.51 0.00 0.12 -0.80 121.76 129.64 2dnf s ALA 85 Ca 0.31 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 2dnf s ALA 85 Cb -0.19 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2dnf s ALA 85 CO 0.18 -0.66 -0.08 0.08 0.00 0.00 0.00 175.76 175.27 2dnf s VAL 86 N 2.16 2.92 0.00 0.00 1.01 -0.47 -2.56 120.40 123.46 2dnf s VAL 86 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2dnf s VAL 86 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2dnf s VAL 86 CO 0.09 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2dnf n GLY 87 N 4.72 -0.17 1.99 4.51 0.00 -1.26 -1.82 105.19 113.16 2dnf n GLY 87 Ca -0.18 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 1.85 -4.21 1.61 1.74 -1.26 -4.44 116.66 111.94 2dnf n ARG 88 Ca 0.00 -1.41 -0.15 0.00 -0.77 0.00 0.00 57.85 55.52 2dnf n ARG 88 Cb 0.00 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.66 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 0.81 0.87 0.77 0.55 2.15 -1.26 -5.16 116.67 115.40 2dnf s ASP 89 Ca 0.38 -1.53 -0.11 0.00 0.43 0.00 0.00 52.55 51.72 2dnf s ASP 89 Cb 0.25 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 43.42 2dnf s ASP 89 CO -0.06 -1.01 1.08 -0.54 -0.17 0.00 0.00 175.17 174.47 2dnf s LYS 90 N -3.71 2.33 -0.67 4.34 3.01 -1.26 -4.97 119.74 118.82 2dnf s LYS 90 Ca 0.38 0.82 -0.26 0.00 -1.01 0.00 0.00 55.97 55.90 2dnf s LYS 90 Cb 0.04 -1.93 0.04 0.00 -1.01 0.00 0.00 37.83 34.96 2dnf s LYS 90 CO 0.19 -1.49 1.17 0.12 0.51 0.00 0.00 175.35 175.85 2dnf s PHE 91 N -3.07 2.48 -1.09 3.18 5.36 -1.26 -4.93 117.98 118.65 2dnf s PHE 91 Ca 0.60 -0.01 -0.24 0.00 -0.96 0.00 0.00 56.93 56.32 2dnf s PHE 91 Cb -0.15 -4.48 -0.15 0.00 -0.34 0.00 0.00 43.02 37.90 2dnf s PHE 91 CO 0.55 -1.80 1.97 1.63 -1.46 0.00 0.00 175.22 176.11 2dnf n LYS 92 N 8.65 1.11 -1.51 10.12 5.02 -1.26 -4.85 118.16 135.45 2dnf n LYS 92 Ca 0.03 -2.17 -0.39 0.00 -2.02 0.00 0.00 58.31 53.76 2dnf n LYS 92 Cb 0.48 -3.70 -0.14 0.00 -0.02 0.00 0.00 35.03 31.65 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 8.14 0.13 -4.07 1.97 3.00 -1.26 -4.70 118.16 121.37 2dnf n LYS 93 Ca 0.44 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.62 2dnf n LYS 93 Cb 0.46 -1.73 -0.11 0.00 0.00 0.00 0.00 35.03 33.65 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 9.02 2.29 -0.42 3.14 1.43 -1.26 -5.11 118.68 127.78 2dnf s LEU 94 Ca 1.31 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 2dnf s LEU 94 Cb -1.10 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 2dnf s LEU 94 CO 0.46 -0.24 1.74 -2.16 0.23 0.00 0.00 176.35 176.38 2dnf s PRO 95 N -1.89 3.20 -0.16 1.29 0.04 -1.26 -4.81 135.00 131.41 2dnf s PRO 95 Ca -0.07 1.12 0.09 0.00 0.04 0.00 0.00 61.00 62.18 2dnf s PRO 95 Cb -0.08 -4.21 -0.16 0.00 0.04 0.00 0.00 34.50 30.09 2dnf s PRO 95 CO -0.00 -2.03 -0.03 0.66 0.04 0.00 0.00 177.00 175.63 2dnf n TYR 96 N 10.65 0.00 0.20 0.56 4.01 -1.26 -4.41 117.16 126.90 2dnf n TYR 96 Ca 0.21 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.06 2dnf n TYR 96 Cb 0.48 -0.73 0.60 0.00 -0.31 0.00 0.00 39.34 39.38 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 2.34 0.00 1.15 2.72 0.00 -1.92 -0.13 103.07 107.23 2dnf h GLY 97 Ca -0.41 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.60 2dnf h GLY 97 CO -0.01 0.00 -1.59 0.83 0.00 0.00 0.00 176.54 175.77 2dnf h GLU 98 N 0.00 0.28 0.00 4.80 5.08 -1.88 -3.32 114.58 119.54 2dnf h GLU 98 Ca 0.00 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2dnf h GLU 98 Cb 0.26 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2dnf h GLU 98 CO 0.00 1.15 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.89 2dnf h LEU 99 N 0.08 0.00 0.49 1.33 3.38 -1.25 -3.22 115.31 116.12 2dnf h LEU 99 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2dnf h LEU 99 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2dnf h LEU 99 CO 0.17 0.21 -0.25 -0.07 0.09 0.00 0.00 178.44 178.58 2dnf h LEU 100 N 0.00 -0.61 -8.33 1.67 3.38 -1.61 -3.41 115.31 106.40 2dnf h LEU 100 Ca -0.00 0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.31 2dnf h LEU 100 Cb 0.45 0.16 -0.27 0.00 0.09 0.00 0.00 40.66 41.10 2dnf h LEU 100 CO 0.03 -0.42 -0.62 -0.36 0.09 0.00 0.00 178.44 177.16 2dnf s PHE 101 N -4.52 3.17 0.16 1.13 0.08 -1.22 -5.05 117.98 111.74 2dnf s PHE 101 Ca -0.10 -1.11 -0.29 0.00 0.12 0.00 0.00 56.93 55.55 2dnf s PHE 101 Cb 0.01 -2.25 -0.17 0.00 -0.57 0.00 0.00 43.02 40.04 2dnf s PHE 101 CO 0.31 -0.62 0.58 -0.40 -0.10 0.00 0.00 175.22 174.99 2dnf n ASP 102 N 4.84 -1.01 -1.04 1.36 5.68 -1.26 -4.79 116.55 120.33 2dnf n ASP 102 Ca -0.14 1.09 0.01 0.00 -0.50 0.00 0.00 54.79 55.25 2dnf n ASP 102 Cb 0.47 -0.91 0.13 0.00 -1.14 0.00 0.00 41.12 39.68 2dnf n ASP 102 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2dnf n SER 103 N 1.84 2.72 0.00 -1.12 2.88 -1.26 -4.91 113.62 113.77 2dnf n SER 103 Ca 0.18 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 2dnf n SER 103 Cb 0.21 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2dnf n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnf n GLY 104 N 0.18 4.10 0.21 0.46 0.00 -1.26 -4.93 105.19 103.95 2dnf n GLY 104 Ca 0.11 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.84 2dnf n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnf h PRO 105 N 0.00 0.00 -5.17 1.61 0.13 -2.03 -3.42 132.00 123.13 2dnf h PRO 105 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2dnf h PRO 105 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2dnf h PRO 105 CO 0.00 0.31 0.81 0.45 -0.23 0.00 0.00 178.00 179.33 2dnf n SER 106 N -3.63 0.29 -3.81 1.44 2.88 -1.26 -4.79 113.62 104.74 2dnf n SER 106 Ca -0.01 -1.25 -0.29 0.00 -1.33 0.00 0.00 58.87 55.99 2dnf n SER 106 Cb 0.43 -1.19 -0.12 0.00 -0.75 0.00 0.00 64.21 62.58 2dnf n SER 106 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnf s SER 107 N 5.94 4.08 0.00 -3.46 0.01 -1.26 -5.14 113.70 113.87 2dnf s SER 107 Ca 0.99 -3.40 0.07 0.00 1.31 0.00 0.00 55.95 54.92 2dnf s SER 107 Cb -0.37 -1.38 0.06 0.00 0.21 0.00 0.00 66.02 64.54 2dnf s SER 107 CO 0.26 -0.15 0.73 0.61 0.41 0.00 0.00 173.24 175.09