#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afr s ILE 7 N 0.00 0.00 0.83 5.09 2.07 -1.26 -5.14 121.20 122.79 2afr s ILE 7 Ca 0.00 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.13 2afr s ILE 7 Cb 0.00 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.71 2afr s ILE 7 CO 0.00 0.00 1.17 0.42 -1.91 0.00 0.00 174.94 174.62 2afr s THR 8 N -1.64 2.07 0.07 4.00 -4.23 -1.26 -4.88 115.64 109.77 2afr s THR 8 Ca 0.03 -0.11 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 2afr s THR 8 Cb -0.01 -2.97 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 2afr s THR 8 CO -0.03 0.00 1.54 0.78 -0.54 0.00 0.00 174.62 176.37 2afr h ASN 9 N -1.09 0.24 -0.61 3.99 2.35 -2.02 -0.95 115.58 117.48 2afr h ASN 9 Ca -0.44 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.08 2afr h ASN 9 Cb 1.29 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 2afr h ASN 9 CO 0.54 0.43 0.41 0.25 -1.65 0.00 0.00 177.43 177.41 2afr h LEU 10 N 0.04 0.64 0.74 1.61 5.85 -1.99 0.32 115.31 122.52 2afr h LEU 10 Ca 0.05 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2afr h LEU 10 Cb 0.30 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.18 2afr h LEU 10 CO 0.00 0.45 -0.36 1.23 -0.34 0.00 0.00 178.44 179.42 2afr h GLY 11 N 0.75 -1.05 0.64 3.75 0.00 -1.77 -1.59 103.07 103.80 2afr h GLY 11 Ca 0.24 0.39 0.08 0.00 0.00 0.00 0.00 47.33 48.04 2afr h GLY 11 CO -0.06 -0.38 0.52 3.21 0.00 0.00 0.00 176.54 179.82 2afr h ARG 12 N -1.00 0.88 -0.87 4.80 3.08 -0.68 -1.41 114.38 119.17 2afr h ARG 12 Ca -0.10 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.95 2afr h ARG 12 Cb 0.77 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 2afr h ARG 12 CO 0.16 0.58 0.55 -0.91 -1.07 0.00 0.00 179.97 179.29 2afr h ASN 13 N 0.91 0.87 -0.06 7.04 4.21 -0.73 0.40 115.58 128.22 2afr h ASN 13 Ca 0.39 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.90 2afr h ASN 13 Cb 0.25 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2afr h ASN 13 CO -0.20 0.56 0.01 0.40 -1.29 0.00 0.00 177.43 176.91 2afr h ILE 14 N 1.01 1.21 0.09 2.81 1.08 -0.31 -0.48 117.51 122.92 2afr h ILE 14 Ca 0.38 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2afr h ILE 14 Cb 0.15 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2afr h ILE 14 CO -0.16 0.18 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.35 2afr h GLU 15 N -0.13 -0.11 -0.86 2.37 4.81 -0.75 -0.00 114.58 119.90 2afr h GLU 15 Ca 0.02 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2afr h GLU 15 Cb 0.27 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 2afr h GLU 15 CO 0.00 -0.06 0.53 -0.91 -0.73 0.00 0.00 179.01 177.84 2afr h ASN 16 N -0.13 0.80 -0.48 1.04 2.35 -0.18 0.12 115.58 119.10 2afr h ASN 16 Ca -0.01 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2afr h ASN 16 Cb 0.10 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2afr h ASN 16 CO 0.02 0.49 0.04 0.50 -1.65 0.00 0.00 177.43 176.83 2afr h LYS 17 N 0.92 0.88 -0.05 0.81 1.63 -0.71 -2.20 116.57 117.85 2afr h LYS 17 Ca 0.39 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2afr h LYS 17 Cb 0.26 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2afr h LYS 17 CO -0.20 0.85 -0.02 0.77 -3.45 0.00 0.00 179.45 177.40 2afr h SER 18 N 0.83 0.10 -0.47 4.20 0.02 0.55 -1.76 113.55 117.02 2afr h SER 18 Ca 0.16 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2afr h SER 18 Cb 0.44 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2afr h SER 18 CO 0.02 0.47 0.32 -0.26 -1.14 0.00 0.00 176.83 176.23 2afr h PHE 19 N -0.27 0.49 -0.30 3.45 0.05 -0.79 0.15 116.94 119.72 2afr h PHE 19 Ca 0.01 0.01 -0.14 0.00 3.82 0.00 0.00 57.97 61.67 2afr h PHE 19 Cb 0.43 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 2afr h PHE 19 CO 0.06 0.29 -0.39 0.77 -0.18 0.00 0.00 178.31 178.86 2afr h SER 20 N 0.51 0.75 -0.37 2.17 0.02 -1.26 -0.52 113.55 114.86 2afr h SER 20 Ca 0.19 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.66 2afr h SER 20 Cb 0.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2afr h SER 20 CO -0.05 1.05 -0.35 0.40 -1.14 0.00 0.00 176.83 176.74 2afr h ILE 21 N 0.58 1.27 -0.02 3.27 2.04 -0.27 -2.34 117.51 122.05 2afr h ILE 21 Ca 0.05 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2afr h ILE 21 Cb 0.92 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2afr h ILE 21 CO 0.08 0.51 0.00 0.40 0.00 0.00 0.00 178.15 179.15 2afr h ILE 22 N 0.76 1.19 -0.39 -0.67 2.04 -0.57 -1.12 117.51 118.74 2afr h ILE 22 Ca 0.07 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2afr h ILE 22 Cb 0.94 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 2afr h ILE 22 CO 0.09 0.15 0.10 0.44 0.00 0.00 0.00 178.15 178.93 2afr h ASP 23 N -0.20 0.07 0.07 1.72 3.32 -1.08 0.53 116.42 120.85 2afr h ASP 23 Ca 0.01 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2afr h ASP 23 Cb 0.24 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2afr h ASP 23 CO 0.00 0.07 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.25 2afr h GLU 24 N 0.24 0.32 0.04 3.56 4.22 -1.36 -3.15 114.58 118.45 2afr h GLU 24 Ca 0.18 -0.11 -0.29 0.00 0.08 0.00 0.00 59.36 59.22 2afr h GLU 24 Cb 0.19 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2afr h GLU 24 CO -0.22 0.57 -1.59 1.49 -2.18 0.00 0.00 179.01 177.08 2afr h GLU 25 N 0.29 0.09 -0.67 1.92 4.81 -0.65 -3.33 114.58 117.04 2afr h GLU 25 Ca 0.04 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2afr h GLU 25 Cb 0.63 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2afr h GLU 25 CO 0.05 0.81 0.45 0.00 -0.73 0.00 0.00 179.01 179.58 2afr h ALA 26 N 0.77 1.54 -0.13 2.92 0.00 0.05 -3.48 119.26 120.92 2afr h ALA 26 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2afr h ALA 26 Cb 1.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2afr h ALA 26 CO 0.11 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2afr n GLY 27 N -1.44 -0.21 3.74 0.00 0.00 -1.19 -4.83 105.19 101.26 2afr n GLY 27 Ca 0.07 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2afr n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2afr s PRO 28 N 0.00 4.45 0.13 1.61 0.04 -1.26 -5.00 135.00 134.97 2afr s PRO 28 Ca 0.00 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2afr s PRO 28 Cb 0.00 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2afr s PRO 28 CO 0.00 -0.15 0.30 -3.38 0.04 0.00 0.00 177.00 173.80 2afr s HIS 29 N -0.08 0.10 -0.51 0.56 -3.43 -1.26 -5.07 115.29 105.60 2afr s HIS 29 Ca 0.54 -0.48 0.02 0.00 -0.80 0.00 0.00 55.06 54.34 2afr s HIS 29 Cb -0.35 0.06 0.52 0.00 -1.43 0.00 0.00 32.58 31.38 2afr s HIS 29 CO 0.38 -0.66 1.81 -1.13 -2.00 0.00 0.00 174.74 173.14 2afr n SER 30 N -0.17 5.55 -4.85 7.38 3.41 -1.26 -4.98 113.62 118.70 2afr n SER 30 Ca -0.13 -3.74 -0.36 0.00 -0.26 0.00 0.00 58.87 54.38 2afr n SER 30 Cb 0.63 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 2afr n SER 30 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2afr s PHE 31 N -3.58 3.52 0.86 7.33 0.40 -1.26 -5.09 117.98 120.15 2afr s PHE 31 Ca 0.58 0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 57.24 2afr s PHE 31 Cb 0.47 -1.89 0.11 0.00 0.51 0.00 0.00 43.02 42.22 2afr s PHE 31 CO 0.03 0.68 1.10 0.00 0.70 0.00 0.00 175.22 177.73 2afr s ALA 32 N -1.06 1.86 0.13 5.36 0.00 -1.26 -4.67 121.76 122.13 2afr s ALA 32 Ca 0.17 -0.22 -0.32 0.00 0.00 0.00 0.00 51.96 51.59 2afr s ALA 32 Cb -0.12 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2afr s ALA 32 CO 0.06 -2.09 1.55 0.37 0.00 0.00 0.00 175.76 175.65 2afr h GLN 33 N -1.36 -0.41 -0.78 0.00 4.15 -1.98 0.21 115.11 114.94 2afr h GLN 33 Ca -0.49 0.03 0.02 0.00 0.77 0.00 0.00 58.65 58.98 2afr h GLN 33 Cb 1.29 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.03 2afr h GLN 33 CO 0.58 -0.27 0.51 0.93 -1.93 0.00 0.00 178.83 178.65 2afr h GLU 34 N -0.42 0.98 -0.59 1.69 5.08 -2.00 -1.71 114.58 117.60 2afr h GLU 34 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2afr h GLU 34 Cb 0.61 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2afr h GLU 34 CO -0.56 0.65 0.37 0.93 -1.00 0.00 0.00 179.01 179.39 2afr h GLU 35 N 1.01 0.80 -0.18 2.33 4.39 -1.79 -2.15 114.58 118.99 2afr h GLU 35 Ca 0.30 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2afr h GLU 35 Cb -0.05 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2afr h GLU 35 CO -0.09 0.56 0.07 2.35 -1.16 0.00 0.00 179.01 180.74 2afr h TRP 36 N 0.80 0.24 -0.06 4.33 2.91 0.21 -0.91 115.95 123.46 2afr h TRP 36 Ca 0.21 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.18 2afr h TRP 36 Cb -0.04 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 2afr h TRP 36 CO -0.02 0.19 -0.21 0.93 -1.03 0.00 0.00 178.44 178.30 2afr h GLU 37 N 0.25 0.10 0.07 2.65 5.08 -0.66 0.24 114.58 122.31 2afr h GLU 37 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2afr h GLU 37 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2afr h GLU 37 CO -0.01 0.32 -0.03 0.28 -1.00 0.00 0.00 179.01 178.57 2afr h VAL 38 N 0.10 1.11 -0.63 3.13 2.07 -1.11 -2.90 116.25 118.02 2afr h VAL 38 Ca 0.02 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.08 2afr h VAL 38 Cb 0.44 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2afr h VAL 38 CO 0.03 0.32 0.37 0.58 0.02 0.00 0.00 177.57 178.90 2afr h VAL 39 N -0.87 1.04 -0.55 2.57 2.07 -1.20 -1.44 116.25 117.86 2afr h VAL 39 Ca -0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2afr h VAL 39 Cb 0.60 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2afr h VAL 39 CO 0.02 0.13 0.37 -0.09 0.02 0.00 0.00 177.57 178.01 2afr h ARG 40 N 0.72 0.69 -0.41 1.57 2.43 -0.64 -1.37 114.38 117.37 2afr h ARG 40 Ca 0.26 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2afr h ARG 40 Cb 0.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2afr h ARG 40 CO -0.13 0.46 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.55 2afr h ARG 41 N 0.71 0.77 -0.31 0.20 9.65 -1.06 -1.77 114.38 122.57 2afr h ARG 41 Ca 0.21 -0.27 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 2afr h ARG 41 Cb -0.02 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2afr h ARG 41 CO -0.05 0.87 -0.11 0.82 2.80 0.00 0.00 179.97 184.30 2afr h ILE 42 N 0.69 1.29 -0.03 1.20 2.04 -0.63 -2.15 117.51 119.92 2afr h ILE 42 Ca 0.11 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2afr h ILE 42 Cb 0.63 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2afr h ILE 42 CO 0.04 0.38 -0.19 0.40 0.00 0.00 0.00 178.15 178.79 2afr h ILE 43 N 0.38 1.15 -0.06 -0.67 2.04 -1.25 -2.32 117.51 116.77 2afr h ILE 43 Ca 0.07 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 2afr h ILE 43 Cb 0.62 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2afr h ILE 43 CO 0.04 0.21 -0.65 -0.74 0.00 0.00 0.00 178.15 177.00 2afr h HIS 44 N 0.04 0.34 0.00 1.37 2.76 -1.03 0.71 115.15 119.34 2afr h HIS 44 Ca 0.01 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 2afr h HIS 44 Cb 0.36 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2afr h HIS 44 CO 0.00 0.83 -0.23 0.00 -1.30 0.00 0.00 177.93 177.23 2afr n ALA 45 N -2.47 2.53 0.00 5.26 0.00 -0.83 -4.20 120.51 120.80 2afr n ALA 45 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2afr n ALA 45 Cb 0.65 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2afr n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2afr n THR 46 N -2.18 0.00 -2.30 0.00 -2.24 -0.94 -4.99 114.28 101.64 2afr n THR 46 Ca 0.05 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 2afr n THR 46 Cb 0.43 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 2afr n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2afr n ALA 47 N -1.07 -0.60 -3.96 6.98 0.00 0.25 -4.93 120.51 117.17 2afr n ALA 47 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 2afr n ALA 47 Cb 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 19.45 17.22 2afr n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2afr s ASP 48 N -2.13 4.76 0.35 0.00 -1.08 -1.22 -4.96 116.67 112.40 2afr s ASP 48 Ca 0.00 -2.33 0.25 0.00 -0.52 0.00 0.00 52.55 49.94 2afr s ASP 48 Cb 0.00 -1.67 1.26 0.00 -1.46 0.00 0.00 42.92 41.05 2afr s ASP 48 CO 0.00 -0.37 1.75 -0.26 0.52 0.00 0.00 175.17 176.81 2afr h PHE 49 N 7.43 0.00 -0.32 -5.34 -1.00 -1.92 -2.46 116.94 113.34 2afr h PHE 49 Ca -0.06 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.81 2afr h PHE 49 Cb 1.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 2afr h PHE 49 CO 0.49 0.00 0.27 0.22 -1.61 0.00 0.00 178.31 177.68 2afr h ASP 50 N 0.00 0.00 0.39 2.17 3.58 -2.00 0.20 116.42 120.77 2afr h ASP 50 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2afr h ASP 50 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2afr h ASP 50 CO 0.00 0.00 0.00 1.88 -2.88 0.00 0.00 179.24 178.24 2afr h TYR 51 N 0.00 0.00 0.00 0.28 -1.99 -1.85 0.01 116.97 113.42 2afr h TYR 51 Ca 0.15 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.82 2afr h TYR 51 Cb 0.68 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 2afr h TYR 51 CO 0.00 0.00 -0.30 -0.22 -0.00 0.00 0.00 178.16 177.64 2afr h LYS 52 N 0.00 0.00 0.00 4.88 3.64 -0.83 -2.28 116.57 121.98 2afr h LYS 52 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2afr h LYS 52 Cb 0.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2afr h LYS 52 CO 0.00 0.30 -1.73 0.09 -2.27 0.00 0.00 179.45 175.84 2afr n ASN 53 N -3.97 0.24 -0.00 4.20 5.03 -0.05 -4.54 115.26 116.16 2afr n ASN 53 Ca -0.02 0.09 0.05 0.00 0.87 0.00 0.00 54.58 55.58 2afr n ASN 53 Cb 0.37 1.54 -0.07 0.00 -1.02 0.00 0.00 39.78 40.61 2afr n ASN 53 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2afr n ILE 54 N -2.39 0.00 -2.57 2.41 -5.35 -0.98 -4.93 119.36 105.54 2afr n ILE 54 Ca -0.03 -0.23 -0.43 0.00 -0.27 0.00 0.00 62.75 61.78 2afr n ILE 54 Cb 0.58 0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 39.39 2afr n ILE 54 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2afr s THR 55 N -2.13 4.54 -0.16 7.28 2.01 -0.86 -0.41 115.64 125.90 2afr s THR 55 Ca 0.04 1.85 0.00 0.00 0.31 0.00 0.00 61.69 63.89 2afr s THR 55 Cb 0.08 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2afr s THR 55 CO 0.47 -0.14 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.57 2afr s LYS 56 N 3.14 3.20 -0.17 4.92 1.02 0.20 -4.98 119.74 127.08 2afr s LYS 56 Ca 0.48 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2afr s LYS 56 Cb -0.18 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2afr s LYS 56 CO 0.11 -0.03 -0.15 0.42 -0.92 0.00 0.00 175.35 174.77 2afr s ILE 57 N 0.93 2.60 0.24 2.17 1.01 -1.26 -1.12 121.20 125.78 2afr s ILE 57 Ca -0.03 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2afr s ILE 57 Cb -0.15 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 2afr s ILE 57 CO -0.02 0.51 1.28 -2.28 0.00 0.00 0.00 174.94 174.43 2afr s HIS 58 N 0.97 3.26 0.31 3.97 5.65 -0.42 -4.93 115.29 124.10 2afr s HIS 58 Ca -0.02 1.33 0.07 0.00 0.25 0.00 0.00 55.06 56.68 2afr s HIS 58 Cb -0.15 -3.58 0.89 0.00 -1.18 0.00 0.00 32.58 28.56 2afr s HIS 58 CO -0.03 -1.70 1.62 -1.35 -0.65 0.00 0.00 174.74 172.63 2afr h PRO 59 N 4.76 0.13 -0.01 2.88 0.11 -1.99 0.26 132.00 138.14 2afr h PRO 59 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2afr h PRO 59 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2afr h PRO 59 CO 0.73 0.09 -0.16 1.04 -0.21 0.00 0.00 178.00 179.50 2afr n GLN 60 N -5.27 1.16 0.04 1.05 1.13 -1.26 -4.49 117.38 109.74 2afr n GLN 60 Ca 0.26 -0.68 -0.11 0.00 -1.94 0.00 0.00 57.00 54.53 2afr n GLN 60 Cb 0.85 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.64 2afr n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2afr h ALA 61 N 3.94 -0.82 -0.94 -1.58 0.00 -0.77 0.11 119.26 119.21 2afr h ALA 61 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2afr h ALA 61 Cb 0.51 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2afr h ALA 61 CO 0.00 -0.94 0.60 0.82 0.00 0.00 0.00 179.25 179.74 2afr h ILE 62 N -0.48 1.12 0.10 0.00 2.04 -1.79 0.45 117.51 118.95 2afr h ILE 62 Ca 0.01 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2afr h ILE 62 Cb 0.51 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2afr h ILE 62 CO -0.25 0.21 -0.05 0.44 0.00 0.00 0.00 178.15 178.50 2afr h ASP 63 N 1.14 -0.12 -0.31 1.72 3.32 -1.73 -1.07 116.42 119.37 2afr h ASP 63 Ca 0.39 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2afr h ASP 63 Cb 0.08 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2afr h ASP 63 CO -0.14 0.03 0.02 0.28 -1.72 0.00 0.00 179.24 177.70 2afr h SER 64 N -0.26 0.60 0.45 6.45 0.02 -0.59 -1.49 113.55 118.73 2afr h SER 64 Ca -0.01 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2afr h SER 64 Cb 0.21 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2afr h SER 64 CO 0.02 0.66 -0.22 1.23 -1.14 0.00 0.00 176.83 177.38 2afr h GLY 65 N 0.90 -0.64 0.54 -3.77 0.00 -0.66 -0.08 103.07 99.34 2afr h GLY 65 Ca 0.13 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.72 2afr h GLY 65 CO 0.01 -0.23 -0.25 -2.22 0.00 0.00 0.00 176.54 173.84 2afr h ILE 66 N -0.61 0.43 -0.56 2.60 1.08 -0.96 -1.44 117.51 118.06 2afr h ILE 66 Ca -0.06 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 2afr h ILE 66 Cb 0.47 0.43 -0.08 0.00 -3.07 0.00 0.00 36.82 34.58 2afr h ILE 66 CO 0.10 0.00 0.13 1.56 -0.69 0.00 0.00 178.15 179.25 2afr h GLN 67 N -0.45 0.27 -0.29 2.37 7.50 -1.21 0.00 115.11 123.30 2afr h GLN 67 Ca 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2afr h GLN 67 Cb 0.49 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 2afr h GLN 67 CO -0.16 0.18 0.19 0.00 -1.50 0.00 0.00 178.83 177.54 2afr h ALA 68 N 1.44 0.37 -0.21 3.87 0.00 -0.61 -2.30 119.26 121.81 2afr h ALA 68 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2afr h ALA 68 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2afr h ALA 68 CO -0.36 -0.17 0.14 -0.07 0.00 0.00 0.00 179.25 178.79 2afr h LEU 69 N 0.39 0.25 -1.43 0.00 3.38 -0.57 -1.98 115.31 115.34 2afr h LEU 69 Ca 0.11 -0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.28 2afr h LEU 69 Cb -0.04 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 2afr h LEU 69 CO -0.02 0.19 0.63 0.11 0.09 0.00 0.00 178.44 179.43 2afr h LYS 70 N 0.28 0.42 -0.03 1.13 1.79 -0.74 0.31 116.57 119.73 2afr h LYS 70 Ca 0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2afr h LYS 70 Cb -0.02 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2afr h LYS 70 CO -0.02 0.28 0.00 1.63 -1.08 0.00 0.00 179.45 180.26 2afr n LYS 71 N -4.56 1.18 -2.70 3.15 5.02 -0.82 -4.88 118.16 114.55 2afr n LYS 71 Ca 0.22 -0.27 -0.15 0.00 -2.02 0.00 0.00 58.31 56.08 2afr n LYS 71 Cb 0.75 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 34.43 2afr n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2afr n GLY 72 N 0.91 -0.17 3.67 0.72 0.00 0.11 -4.93 105.19 105.49 2afr n GLY 72 Ca 0.16 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2afr n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afr s PRO 74 N -4.67 4.17 -0.28 0.00 0.04 -1.26 -3.16 135.00 129.84 2afr s PRO 74 Ca 0.66 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2afr s PRO 74 Cb -0.22 -2.30 0.07 0.00 0.04 0.00 0.00 34.50 32.08 2afr s PRO 74 CO 0.58 -0.10 -0.06 0.42 0.04 0.00 0.00 177.00 177.89 2afr s ILE 75 N -1.98 2.35 -0.32 0.56 1.01 0.16 -2.33 121.20 120.66 2afr s ILE 75 Ca 0.61 -1.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.38 2afr s ILE 75 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2afr s ILE 75 CO 0.18 -0.15 0.41 -0.69 0.00 0.00 0.00 174.94 174.69 2afr s VAL 76 N 1.10 5.13 -0.05 2.92 1.01 -0.78 -0.72 120.40 129.00 2afr s VAL 76 Ca -0.05 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2afr s VAL 76 Cb -0.20 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2afr s VAL 76 CO -0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 175.10 174.90 2afr h ASP 78 N 5.26 0.27 -4.28 0.00 2.03 -1.71 -3.38 116.42 114.61 2afr h ASP 78 Ca -0.47 -0.22 -0.55 0.00 -0.73 0.00 0.00 57.03 55.05 2afr h ASP 78 Cb 1.16 -0.08 -0.25 0.00 -0.83 0.00 0.00 39.33 39.32 2afr h ASP 78 CO 0.51 1.03 -0.83 -0.69 -1.03 0.00 0.00 179.24 178.23 2afr s VAL 79 N -3.17 1.58 0.35 4.15 1.01 -1.26 -4.49 120.40 118.56 2afr s VAL 79 Ca -0.03 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.77 2afr s VAL 79 Cb 0.10 -1.39 0.25 0.00 0.00 0.00 0.00 36.38 35.34 2afr s VAL 79 CO 0.83 0.14 1.99 -0.61 0.00 0.00 0.00 175.10 177.45 2afr h GLN 80 N 4.79 0.78 -0.72 2.72 5.75 -1.94 -2.81 115.11 123.67 2afr h GLN 80 Ca -0.42 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.13 2afr h GLN 80 Cb 1.17 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.50 2afr h GLN 80 CO 0.43 0.55 0.48 1.98 -2.65 0.00 0.00 178.83 179.62 2afr h MET 81 N 0.79 0.52 0.03 1.69 4.05 -1.97 -1.65 114.93 118.39 2afr h MET 81 Ca 0.21 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2afr h MET 81 Cb -0.03 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 2afr h MET 81 CO -0.04 0.35 -0.03 0.82 0.23 0.00 0.00 176.91 178.24 2afr h ILE 82 N 0.54 0.94 -0.26 1.77 2.04 -1.79 -2.45 117.51 118.30 2afr h ILE 82 Ca 0.34 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.23 2afr h ILE 82 Cb 0.59 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2afr h ILE 82 CO -0.12 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.03 2afr h LEU 83 N -0.06 0.04 0.00 1.44 3.38 -1.46 -0.84 115.31 117.81 2afr h LEU 83 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2afr h LEU 83 Cb 0.06 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2afr h LEU 83 CO -0.01 0.06 0.03 -1.20 0.09 0.00 0.00 178.44 177.40 2afr n SER 84 N -5.07 0.00 -0.00 -0.43 7.64 -0.71 0.13 113.62 115.17 2afr n SER 84 Ca -0.01 0.12 0.06 0.00 1.01 0.00 0.00 58.87 60.05 2afr n SER 84 Cb 0.10 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 2afr n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2afr n GLY 85 N -1.06 -0.38 3.61 0.23 0.00 -0.33 -4.93 105.19 102.33 2afr n GLY 85 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2afr n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2afr s LEU 86 N -3.21 4.05 -0.38 0.99 1.43 0.12 -5.04 118.68 116.63 2afr s LEU 86 Ca 0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 2afr s LEU 86 Cb 0.09 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2afr s LEU 86 CO 0.53 -0.24 1.24 0.54 0.23 0.00 0.00 176.35 178.65 2afr s ASN 87 N 1.59 6.63 0.64 2.29 2.20 -1.26 -4.89 114.94 122.15 2afr s ASN 87 Ca 0.18 0.88 0.25 0.00 -0.94 0.00 0.00 52.86 53.23 2afr s ASN 87 Cb -0.16 -2.54 1.33 0.00 -2.00 0.00 0.00 41.25 37.87 2afr s ASN 87 CO 0.10 -1.18 1.75 -0.65 -2.94 0.00 0.00 177.10 174.18 2afr h PRO 88 N 9.38 0.00 0.42 3.55 0.11 -1.96 -1.93 132.00 141.57 2afr h PRO 88 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 2afr h PRO 88 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2afr h PRO 88 CO 1.07 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.59 2afr h GLU 89 N 0.00 -0.54 0.00 1.05 5.08 -2.01 -1.16 114.58 117.00 2afr h GLU 89 Ca 0.08 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2afr h GLU 89 Cb 1.09 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2afr h GLU 89 CO -0.00 -0.34 -0.29 -0.09 -1.00 0.00 0.00 179.01 177.29 2afr h ARG 90 N -0.60 0.00 0.00 2.33 9.65 -1.76 -3.03 114.38 120.97 2afr h ARG 90 Ca -0.06 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.64 2afr h ARG 90 Cb 0.45 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 2afr h ARG 90 CO 0.09 0.29 -0.86 -0.07 2.80 0.00 0.00 179.97 182.22 2afr h LEU 91 N 0.00 0.00 -1.58 3.80 3.38 -1.46 -3.17 115.31 116.29 2afr h LEU 91 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2afr h LEU 91 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2afr h LEU 91 CO 0.04 0.86 -0.07 0.50 0.09 0.00 0.00 178.44 179.86 2afr h LYS 92 N 0.00 0.00 -0.84 1.13 3.64 -1.08 0.25 116.57 119.67 2afr h LYS 92 Ca -0.01 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2afr h LYS 92 Cb 1.56 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.32 2afr h LYS 92 CO 0.11 0.07 0.55 0.28 -2.27 0.00 0.00 179.45 178.19 2afr h VAL 93 N 0.00 0.96 0.00 2.00 2.07 -1.60 -2.68 116.25 116.99 2afr h VAL 93 Ca -0.00 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 2afr h VAL 93 Cb 0.50 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2afr h VAL 93 CO 0.01 0.15 -2.01 -1.22 0.02 0.00 0.00 177.57 174.51 2afr n TYR 94 N -4.52 0.00 -0.45 1.57 0.53 -0.81 -5.00 117.16 108.49 2afr n TYR 94 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.02 2afr n TYR 94 Cb 0.32 -0.61 0.00 0.00 -1.03 0.00 0.00 39.34 38.01 2afr n TYR 94 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2afr n GLY 95 N 1.62 0.77 3.69 2.72 0.00 0.82 -3.42 105.19 111.40 2afr n GLY 95 Ca -0.14 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2afr n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afr s LYS 97 N -2.45 3.16 0.10 0.00 1.02 -1.19 -4.77 119.74 115.61 2afr s LYS 97 Ca 0.66 -0.81 -0.05 0.00 0.02 0.00 0.00 55.97 55.78 2afr s LYS 97 Cb -0.47 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.36 2afr s LYS 97 CO 0.54 0.18 0.35 0.95 -0.92 0.00 0.00 175.35 176.44 2afr s THR 98 N 0.38 5.20 -0.01 2.17 -4.23 -1.26 0.38 115.64 118.27 2afr s THR 98 Ca -0.15 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 2afr s THR 98 Cb -0.17 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2afr s THR 98 CO 0.07 0.14 0.10 -0.31 -0.54 0.00 0.00 174.62 174.08 2afr s TYR 99 N -1.55 0.02 -0.28 3.99 1.51 0.10 -4.90 117.35 116.25 2afr s TYR 99 Ca 0.37 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 2afr s TYR 99 Cb -0.13 -0.04 0.16 0.00 -0.11 0.00 0.00 41.96 41.84 2afr s TYR 99 CO 0.22 -0.18 0.52 0.00 -1.11 0.00 0.00 175.55 175.00 2afr n PHE 101 N 5.41 0.66 -0.29 0.00 3.01 -1.26 -4.60 117.46 120.39 2afr n PHE 101 Ca -0.03 -0.41 0.29 0.00 1.01 0.00 0.00 57.45 58.31 2afr n PHE 101 Cb 0.50 -0.01 0.66 0.00 -0.01 0.00 0.00 39.48 40.63 2afr n PHE 101 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 2afr h ILE 102 N 3.59 0.49 -0.52 4.37 6.09 -1.84 -1.05 117.51 128.63 2afr h ILE 102 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2afr h ILE 102 Cb 0.89 0.34 0.00 0.00 0.47 0.00 0.00 36.82 38.52 2afr h ILE 102 CO 0.00 0.02 0.00 -1.20 -3.07 0.00 0.00 178.15 173.90 2afr n SER 103 N -4.35 3.76 -4.80 2.19 7.64 -1.26 -4.74 113.62 112.07 2afr n SER 103 Ca 0.24 -2.21 -0.35 0.00 1.01 0.00 0.00 58.87 57.56 2afr n SER 103 Cb 1.05 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 2afr n SER 103 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2afr s ASP 104 N -1.07 6.72 0.09 6.43 1.01 -0.40 -4.92 116.67 124.53 2afr s ASP 104 Ca 0.39 1.91 -0.34 0.00 0.71 0.00 0.00 52.55 55.21 2afr s ASP 104 Cb 0.23 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.44 2afr s ASP 104 CO 0.22 -0.51 1.58 -0.33 0.21 0.00 0.00 175.17 176.34 2afr h GLU 105 N 2.14 -0.89 -0.99 8.23 4.39 -1.94 -0.72 114.58 124.80 2afr h GLU 105 Ca -0.49 0.06 0.20 0.00 0.34 0.00 0.00 59.36 59.48 2afr h GLU 105 Cb 1.21 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.95 2afr h GLU 105 CO 0.61 -0.59 0.58 0.38 -1.16 0.00 0.00 179.01 178.83 2afr h ASP 106 N -0.92 0.71 -0.34 1.42 -0.00 -1.96 0.41 116.42 115.73 2afr h ASP 106 Ca -0.05 0.11 -0.05 0.00 -0.00 0.00 0.00 57.03 57.04 2afr h ASP 106 Cb 0.81 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 40.12 2afr h ASP 106 CO -0.08 0.21 -0.00 0.58 -0.00 0.00 0.00 179.24 179.95 2afr h VAL 107 N 0.68 1.26 -0.01 4.15 2.07 -1.76 -0.53 116.25 122.10 2afr h VAL 107 Ca 0.59 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2afr h VAL 107 Cb 0.98 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2afr h VAL 107 CO -0.42 0.32 0.01 0.40 0.02 0.00 0.00 177.57 177.90 2afr h ILE 108 N 0.41 1.01 -0.65 4.57 2.04 0.49 -0.38 117.51 125.00 2afr h ILE 108 Ca 0.10 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2afr h ILE 108 Cb 0.46 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2afr h ILE 108 CO 0.02 0.01 0.15 -0.33 0.00 0.00 0.00 178.15 178.00 2afr h GLU 109 N 0.01 1.05 -0.66 2.37 4.39 -0.99 -1.81 114.58 118.94 2afr h GLU 109 Ca 0.00 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 2afr h GLU 109 Cb 0.01 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2afr h GLU 109 CO -0.00 0.94 0.21 -0.91 -1.16 0.00 0.00 179.01 178.10 2afr h ASN 110 N 0.97 0.92 -0.19 1.42 2.35 -0.90 0.24 115.58 120.39 2afr h ASN 110 Ca 0.20 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2afr h ASN 110 Cb 0.37 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2afr h ASN 110 CO 0.00 0.86 0.02 0.00 -1.65 0.00 0.00 177.43 176.66 2afr h ALA 111 N 1.27 0.25 0.14 -0.83 0.00 -0.77 0.33 119.26 119.64 2afr h ALA 111 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2afr h ALA 111 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2afr h ALA 111 CO -0.01 -0.06 -0.07 1.57 0.00 0.00 0.00 179.25 180.68 2afr h LYS 112 N 0.09 -0.18 -0.45 0.00 5.09 -1.08 -0.93 116.57 119.12 2afr h LYS 112 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 60.65 60.78 2afr h LYS 112 Cb 0.35 0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.69 2afr h LYS 112 CO 0.01 -0.04 0.17 0.07 -2.09 0.00 0.00 179.45 177.57 2afr h ARG 113 N -0.28 0.64 -0.46 0.07 0.11 -0.50 -2.80 114.38 111.16 2afr h ARG 113 Ca -0.02 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2afr h ARG 113 Cb 0.23 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2afr h ARG 113 CO 0.03 0.54 0.00 1.63 0.10 0.00 0.00 179.97 182.27 2afr n LYS 114 N -4.36 2.27 -3.68 0.08 5.02 0.10 -4.96 118.16 112.63 2afr n LYS 114 Ca 0.03 -1.95 -0.27 0.00 -2.02 0.00 0.00 58.31 54.10 2afr n LYS 114 Cb 0.16 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 2afr n LYS 114 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2afr n ASN 115 N 1.11 -4.02 0.00 4.39 3.02 -0.65 -4.98 115.26 114.13 2afr n ASN 115 Ca 0.19 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2afr n ASN 115 Cb 0.49 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 2afr n ASN 115 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2afr n SER 116 N -2.84 0.10 -4.50 6.41 3.41 -0.44 -5.06 113.62 110.69 2afr n SER 116 Ca -0.16 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.21 2afr n SER 116 Cb 0.62 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 2afr n SER 116 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2afr s THR 117 N 0.33 2.49 0.32 6.66 -4.23 -1.26 -4.68 115.64 115.27 2afr s THR 117 Ca 0.00 -2.33 0.16 0.00 -1.18 0.00 0.00 61.69 58.34 2afr s THR 117 Cb 0.00 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.54 2afr s THR 117 CO 0.00 -0.35 1.81 0.03 -0.54 0.00 0.00 174.62 175.57 2afr h ARG 118 N 2.19 0.00 -0.44 3.99 3.08 -1.91 -2.18 114.38 119.11 2afr h ARG 118 Ca -0.41 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.57 2afr h ARG 118 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2afr h ARG 118 CO 0.62 0.37 -0.00 0.00 -1.07 0.00 0.00 179.97 179.89 2afr h ALA 119 N 1.63 0.59 -0.31 0.04 0.00 -1.92 0.33 119.26 119.62 2afr h ALA 119 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2afr h ALA 119 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2afr h ALA 119 CO 0.05 0.39 -0.01 0.82 0.00 0.00 0.00 179.25 180.49 2afr h ILE 120 N 0.62 1.26 0.00 0.00 2.04 -1.76 -1.48 117.51 118.20 2afr h ILE 120 Ca 0.12 -0.98 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 2afr h ILE 120 Cb 0.50 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2afr h ILE 120 CO 0.02 0.32 -0.52 -0.33 0.00 0.00 0.00 178.15 177.63 2afr h GLU 121 N 0.34 0.00 -0.33 2.37 4.39 -1.34 -1.98 114.58 118.03 2afr h GLU 121 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2afr h GLU 121 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2afr h GLU 121 CO 0.02 0.52 0.18 1.03 -1.16 0.00 0.00 179.01 179.60 2afr h SER 122 N 0.00 0.42 -0.45 1.42 0.87 -0.07 0.41 113.55 116.15 2afr h SER 122 Ca -0.01 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 2afr h SER 122 Cb 0.95 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2afr h SER 122 CO 0.07 0.39 0.01 0.40 -0.53 0.00 0.00 176.83 177.17 2afr h ILE 123 N 0.42 1.26 -0.65 2.23 1.08 -1.03 -2.41 117.51 118.40 2afr h ILE 123 Ca 0.12 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 2afr h ILE 123 Cb 0.07 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2afr h ILE 123 CO -0.02 0.35 0.36 1.56 -0.69 0.00 0.00 178.15 179.72 2afr h GLN 124 N 0.64 0.89 -0.59 2.37 4.20 -1.10 -1.90 115.11 119.62 2afr h GLN 124 Ca 0.13 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2afr h GLN 124 Cb 0.48 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2afr h GLN 124 CO 0.02 0.65 0.15 -0.22 -0.67 0.00 0.00 178.83 178.76 2afr h LYS 125 N 0.90 0.94 -0.72 1.46 3.64 -0.64 0.47 116.57 122.61 2afr h LYS 125 Ca 0.23 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2afr h LYS 125 Cb 0.01 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2afr h LYS 125 CO -0.04 0.86 0.39 0.00 -2.27 0.00 0.00 179.45 178.39 2afr h ALA 126 N 1.04 1.33 -0.45 5.00 0.00 -0.93 -2.14 119.26 123.10 2afr h ALA 126 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2afr h ALA 126 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2afr h ALA 126 CO -0.00 0.55 -0.26 -0.97 0.00 0.00 0.00 179.25 178.57 2afr h ASN 127 N 1.01 1.01 0.09 0.00 -1.24 -0.81 -0.09 115.58 115.54 2afr h ASN 127 Ca 0.26 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2afr h ASN 127 Cb 0.03 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.80 2afr h ASN 127 CO -0.04 1.20 0.00 0.77 -1.29 0.00 0.00 177.43 178.07 2afr h SER 128 N 0.83 0.00 -0.40 1.15 4.64 -0.26 0.18 113.55 119.68 2afr h SER 128 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2afr h SER 128 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2afr h SER 128 CO 0.07 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.52 2afr n PHE 129 N -2.80 0.53 -1.70 4.77 0.99 -0.80 -4.96 117.46 113.49 2afr n PHE 129 Ca -0.02 -0.37 -0.17 0.00 -0.00 0.00 0.00 57.45 56.89 2afr n PHE 129 Cb 0.08 -0.01 -0.06 0.00 -1.00 0.00 0.00 39.48 38.49 2afr n PHE 129 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2afr n ASN 130 N 1.03 -5.05 -0.05 4.37 3.02 0.63 -4.88 115.26 114.32 2afr n ASN 130 Ca 0.16 0.31 0.16 0.00 -0.03 0.00 0.00 54.58 55.18 2afr n ASN 130 Cb 0.50 -4.08 0.90 0.00 -0.61 0.00 0.00 39.78 36.48 2afr n ASN 130 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2afr n LEU 131 N -2.07 0.17 -0.02 3.41 4.77 -0.11 -3.59 117.00 119.56 2afr n LEU 131 Ca -0.18 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.69 2afr n LEU 131 Cb 0.58 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 2afr n LEU 131 CO 0.25 0.03 -0.55 0.18 -1.33 0.00 0.00 177.39 175.97 2afr n LEU 132 N -0.87 0.71 -4.66 2.23 4.77 -1.26 -4.56 117.00 113.36 2afr n LEU 132 Ca 0.23 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.11 2afr n LEU 132 Cb 0.14 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2afr n LEU 132 CO 0.18 0.31 1.58 -3.20 -1.33 0.00 0.00 177.39 174.94 2afr n ASN 133 N -2.93 4.03 -2.10 -1.43 4.05 -1.24 -2.24 115.26 113.41 2afr n ASN 133 Ca -0.17 0.92 -0.15 0.00 0.45 0.00 0.00 54.58 55.63 2afr n ASN 133 Cb 0.98 -1.50 -0.03 0.00 1.23 0.00 0.00 39.78 40.47 2afr n ASN 133 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2afr n GLU 134 N 7.36 -1.81 -2.92 1.20 -0.58 0.36 -4.85 120.64 119.40 2afr n GLU 134 Ca 0.21 0.79 -0.19 0.00 -0.42 0.00 0.00 57.16 57.55 2afr n GLU 134 Cb 0.39 -5.30 0.06 0.00 -0.57 0.00 0.00 31.44 26.01 2afr n GLU 134 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2afr n SER 135 N -1.50 2.03 -4.26 1.62 3.41 -0.95 -3.98 113.62 109.99 2afr n SER 135 Ca -0.17 -2.47 -0.37 0.00 -0.26 0.00 0.00 58.87 55.60 2afr n SER 135 Cb 0.59 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 2afr n SER 135 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2afr s ILE 136 N -2.38 3.56 -0.36 -1.33 1.01 -0.99 0.74 121.20 121.46 2afr s ILE 136 Ca 0.54 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2afr s ILE 136 Cb -0.04 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2afr s ILE 136 CO 0.35 -0.05 0.59 -0.63 0.00 0.00 0.00 174.94 175.20 2afr s ILE 137 N 1.39 4.93 -0.40 2.92 1.01 0.35 -1.87 121.20 129.53 2afr s ILE 137 Ca -0.01 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2afr s ILE 137 Cb -0.19 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.32 2afr s ILE 137 CO 0.01 -0.31 0.21 -0.69 0.00 0.00 0.00 174.94 174.15 2afr s VAL 138 N 2.60 3.80 -0.50 2.92 1.01 0.70 0.38 120.40 131.31 2afr s VAL 138 Ca 0.22 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 2afr s VAL 138 Cb -0.15 -3.38 0.13 0.00 0.00 0.00 0.00 36.38 32.99 2afr s VAL 138 CO 0.15 -0.50 0.32 -0.63 0.00 0.00 0.00 175.10 174.44 2afr s ILE 139 N 1.32 3.64 -2.28 2.22 1.01 -0.01 -2.09 121.20 125.02 2afr s ILE 139 Ca 0.03 -2.32 0.23 0.00 0.00 0.00 0.00 60.65 58.59 2afr s ILE 139 Cb -0.22 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 38.90 2afr s ILE 139 CO -0.00 -0.78 1.20 0.61 0.00 0.00 0.00 174.94 175.97 2afr n GLY 140 N 4.26 0.23 1.88 6.18 0.00 -1.26 -0.69 105.19 115.79 2afr n GLY 140 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2afr n GLY 140 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2afr n ASN 141 N 0.28 -0.02 -4.61 1.61 2.85 -1.26 -2.19 115.26 111.91 2afr n ASN 141 Ca 0.11 0.37 -0.43 0.00 -0.11 0.00 0.00 54.58 54.52 2afr n ASN 141 Cb 0.49 0.27 -0.02 0.00 1.24 0.00 0.00 39.78 41.76 2afr n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2afr s ALA 142 N -2.00 3.23 0.35 5.20 0.00 -1.26 -2.33 121.76 124.94 2afr s ALA 142 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2afr s ALA 142 Cb 0.00 -3.85 0.64 0.00 0.00 0.00 0.00 23.12 19.91 2afr s ALA 142 CO 0.00 -2.09 1.99 -1.35 0.00 0.00 0.00 175.76 174.31 2afr h PRO 143 N 9.10 0.78 0.00 0.00 0.11 -1.91 -1.75 132.00 138.33 2afr h PRO 143 Ca -0.23 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2afr h PRO 143 Cb 1.06 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2afr h PRO 143 CO 1.10 0.55 -0.10 1.79 -0.21 0.00 0.00 178.00 181.13 2afr h THR 144 N 0.80 0.83 -0.26 -1.15 1.35 -1.91 -0.91 112.91 111.65 2afr h THR 144 Ca 0.21 -0.39 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 2afr h THR 144 Cb -0.03 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2afr h THR 144 CO -0.04 0.10 -0.43 0.00 -0.25 0.00 0.00 175.52 174.91 2afr h ALA 145 N 1.90 0.77 -0.15 6.62 0.00 -1.58 -1.79 119.26 125.03 2afr h ALA 145 Ca -0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2afr h ALA 145 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2afr h ALA 145 CO 0.01 0.66 -0.65 1.25 0.00 0.00 0.00 179.25 180.52 2afr h LEU 146 N 0.51 0.64 -1.04 0.00 5.85 -1.17 -2.28 115.31 117.83 2afr h LEU 146 Ca 0.04 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 2afr h LEU 146 Cb 0.95 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2afr h LEU 146 CO 0.09 1.13 -0.22 -0.07 -0.34 0.00 0.00 178.44 179.03 2afr h LEU 147 N 0.41 0.42 -0.25 2.25 3.38 -1.13 -1.83 115.31 118.56 2afr h LEU 147 Ca -0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2afr h LEU 147 Cb 1.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2afr h LEU 147 CO 0.12 0.65 -0.05 -0.08 0.09 0.00 0.00 178.44 179.17 2afr h GLU 148 N 0.38 0.48 -0.94 1.13 4.57 -1.21 -0.70 114.58 118.29 2afr h GLU 148 Ca 0.06 -0.18 0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2afr h GLU 148 Cb 0.60 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 2afr h GLU 148 CO 0.04 0.69 0.60 0.82 -1.18 0.00 0.00 179.01 179.98 2afr h ILE 149 N 0.22 1.07 -0.29 2.32 1.08 -1.13 0.24 117.51 121.02 2afr h ILE 149 Ca 0.06 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2afr h ILE 149 Cb 0.51 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2afr h ILE 149 CO 0.02 0.20 0.17 -0.08 -0.69 0.00 0.00 178.15 177.77 2afr h GLU 150 N 1.09 0.39 -0.74 2.37 4.22 -1.07 -0.39 114.58 120.45 2afr h GLU 150 Ca 0.41 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.84 2afr h GLU 150 Cb 0.16 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2afr h GLU 150 CO -0.17 0.31 0.46 -0.22 -2.18 0.00 0.00 179.01 177.21 2afr h LYS 151 N 0.37 0.87 -0.29 1.92 3.64 0.25 -0.59 116.57 122.72 2afr h LYS 151 Ca 0.10 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2afr h LYS 151 Cb 0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2afr h LYS 151 CO -0.02 0.57 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.34 2afr h LEU 152 N 0.89 0.65 -0.23 5.20 3.38 -0.18 0.78 115.31 125.81 2afr h LEU 152 Ca 0.30 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2afr h LEU 152 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2afr h LEU 152 CO -0.12 0.93 0.04 0.40 0.09 0.00 0.00 178.44 179.78 2afr h ILE 153 N 0.53 1.22 -0.29 1.22 2.04 -0.55 0.42 117.51 122.11 2afr h ILE 153 Ca 0.06 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 2afr h ILE 153 Cb 0.81 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2afr h ILE 153 CO 0.07 0.23 -0.07 -0.09 0.00 0.00 0.00 178.15 178.29 2afr h ARG 154 N 0.18 0.56 0.04 2.37 2.43 -1.01 -2.29 114.38 116.66 2afr h ARG 154 Ca 0.07 -0.22 -0.37 0.00 -0.81 0.00 0.00 59.98 58.65 2afr h ARG 154 Cb 0.31 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2afr h ARG 154 CO 0.00 0.76 -2.24 1.04 -1.51 0.00 0.00 179.97 178.02 2afr n GLN 155 N -4.49 0.69 0.00 0.20 6.02 0.26 -4.54 117.38 115.52 2afr n GLN 155 Ca -0.03 0.17 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 2afr n GLN 155 Cb 0.32 -1.60 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 2afr n GLN 155 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2afr n GLU 156 N -3.21 0.14 -1.94 -1.09 4.71 0.13 -4.99 120.64 114.40 2afr n GLU 156 Ca -0.36 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.16 56.61 2afr n GLU 156 Cb 1.04 -1.51 -0.03 0.00 -1.01 0.00 0.00 31.44 29.93 2afr n GLU 156 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2afr n GLY 157 N 1.44 0.42 3.74 0.62 0.00 -0.27 -4.96 105.19 106.19 2afr n GLY 157 Ca 0.03 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2afr n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2afr s ILE 158 N -2.63 2.10 -0.53 -0.61 -4.36 -1.17 -4.96 121.20 109.04 2afr s ILE 158 Ca 0.00 0.07 0.04 0.00 -0.26 0.00 0.00 60.65 60.49 2afr s ILE 158 Cb 0.00 -3.03 0.16 0.00 1.25 0.00 0.00 42.46 40.84 2afr s ILE 158 CO 0.00 -0.01 0.36 -0.75 0.24 0.00 0.00 174.94 174.78 2afr s LYS 159 N -3.28 1.61 0.62 0.37 2.20 -1.26 -4.67 119.74 115.33 2afr s LYS 159 Ca 0.80 -2.53 -0.13 0.00 -0.36 0.00 0.00 55.97 53.75 2afr s LYS 159 Cb -0.37 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 2afr s LYS 159 CO 0.40 -1.27 1.05 -1.25 -0.36 0.00 0.00 175.35 173.92 2afr s PRO 160 N -0.39 3.29 0.12 4.03 0.04 -1.21 0.13 135.00 141.02 2afr s PRO 160 Ca 0.25 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 2afr s PRO 160 Cb -0.09 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2afr s PRO 160 CO -0.12 -0.82 1.35 0.00 0.04 0.00 0.00 177.00 177.45 2afr h ALA 161 N -0.02 0.40 -2.38 8.56 0.00 0.20 -3.42 119.26 122.59 2afr h ALA 161 Ca -0.45 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 53.77 2afr h ALA 161 Cb 1.21 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 2afr h ALA 161 CO 0.58 0.70 -0.07 -1.17 0.00 0.00 0.00 179.25 179.29 2afr s LEU 162 N -8.32 -0.00 -0.21 0.00 2.96 -0.79 -4.22 118.68 108.10 2afr s LEU 162 Ca -0.09 0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 2afr s LEU 162 Cb 0.09 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.65 2afr s LEU 162 CO 0.89 -0.29 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.89 2afr s ILE 163 N -0.20 2.77 -0.71 6.68 1.01 -0.47 -0.49 121.20 129.79 2afr s ILE 163 Ca -0.04 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2afr s ILE 163 Cb -0.03 -2.27 0.18 0.00 0.01 0.00 0.00 42.46 40.35 2afr s ILE 163 CO 0.03 0.41 0.62 -0.69 0.00 0.00 0.00 174.94 175.31 2afr s VAL 164 N 1.37 4.99 -0.82 2.92 1.01 0.16 -0.94 120.40 129.10 2afr s VAL 164 Ca 0.04 -2.39 -0.13 0.00 0.00 0.00 0.00 61.98 59.50 2afr s VAL 164 Cb -0.14 -4.15 0.22 0.00 0.00 0.00 0.00 36.38 32.31 2afr s VAL 164 CO -0.07 -0.95 0.75 -0.83 0.00 0.00 0.00 175.10 174.00 2afr s GLY 165 N 2.07 2.66 -0.36 4.51 0.00 -0.23 -0.83 107.32 115.14 2afr s GLY 165 Ca 0.15 -3.33 0.11 0.00 0.00 0.00 0.00 44.72 41.64 2afr s GLY 165 CO -0.05 1.25 1.08 3.33 0.00 0.00 0.00 173.10 178.71 2afr n VAL 166 N 3.91 1.90 -2.18 1.40 0.24 0.13 -3.61 118.33 120.13 2afr n VAL 166 Ca 0.14 -4.06 -0.34 0.00 -2.04 0.00 0.00 64.34 58.04 2afr n VAL 166 Cb 0.46 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.42 2afr n VAL 166 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2afr s PRO 167 N -3.47 3.29 -0.03 7.34 0.04 -1.04 -1.25 135.00 139.88 2afr s PRO 167 Ca 0.40 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.02 2afr s PRO 167 Cb 0.41 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 2afr s PRO 167 CO -0.07 -0.88 -0.20 0.54 0.04 0.00 0.00 177.00 176.43 2afr s VAL 168 N -1.95 2.58 0.00 -0.36 0.11 -0.98 -4.03 120.40 115.76 2afr s VAL 168 Ca 0.70 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2afr s VAL 168 Cb -0.22 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2afr s VAL 168 CO 0.30 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 173.24 2afr n GLY 169 N 2.30 1.00 0.06 6.54 0.00 -0.67 -4.76 105.19 109.66 2afr n GLY 169 Ca -0.17 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.94 2afr n GLY 169 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2afr n PHE 170 N -0.47 0.00 -0.07 1.61 3.72 -1.26 -4.48 117.46 116.50 2afr n PHE 170 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 2afr n PHE 170 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2afr n PHE 170 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2afr n VAL 171 N -1.07 1.25 -0.22 -4.37 0.31 -1.26 -4.86 118.33 108.11 2afr n VAL 171 Ca 0.03 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2afr n VAL 171 Cb 0.20 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 2afr n VAL 171 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2afr n SER 172 N -4.18 1.28 0.25 4.52 7.64 -1.26 -4.83 113.62 117.03 2afr n SER 172 Ca -0.10 -1.50 -0.18 0.00 1.01 0.00 0.00 58.87 58.10 2afr n SER 172 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 2afr n SER 172 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2afr h ALA 173 N 0.00 -1.07 -0.66 -0.43 0.00 -1.87 0.28 119.26 115.51 2afr h ALA 173 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2afr h ALA 173 Cb 0.43 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 2afr h ALA 173 CO 0.00 -1.15 0.25 -0.22 0.00 0.00 0.00 179.25 178.13 2afr h LYS 174 N -0.93 0.41 -0.29 0.00 3.64 -1.75 -2.37 116.57 115.26 2afr h LYS 174 Ca -0.05 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2afr h LYS 174 Cb 0.84 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2afr h LYS 174 CO -0.11 0.27 -0.03 0.93 -2.27 0.00 0.00 179.45 178.24 2afr h GLU 175 N 0.42 0.54 -0.88 1.90 3.07 -1.78 -2.43 114.58 115.42 2afr h GLU 175 Ca 0.35 -0.19 0.07 0.00 -0.50 0.00 0.00 59.36 59.09 2afr h GLU 175 Cb 0.47 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 2afr h GLU 175 CO -0.35 0.71 0.57 0.66 -1.40 0.00 0.00 179.01 179.20 2afr h SER 176 N 0.32 0.85 -0.20 1.42 4.64 -0.02 -0.53 113.55 120.03 2afr h SER 176 Ca 0.08 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 2afr h SER 176 Cb 0.48 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2afr h SER 176 CO 0.02 0.53 -0.59 0.11 -0.87 0.00 0.00 176.83 176.03 2afr h LYS 177 N 0.96 0.80 -0.14 4.77 6.56 -1.30 -3.09 116.57 125.13 2afr h LYS 177 Ca 0.39 -0.53 -0.06 0.00 -1.06 0.00 0.00 60.65 59.38 2afr h LYS 177 Cb 0.26 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2afr h LYS 177 CO -0.15 1.16 -0.19 0.93 -2.06 0.00 0.00 179.45 179.14 2afr h GLU 178 N 0.60 0.23 0.00 3.15 5.08 -0.87 -2.28 114.58 120.48 2afr h GLU 178 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2afr h GLU 178 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2afr h GLU 178 CO 0.13 0.42 -0.21 0.66 -1.00 0.00 0.00 179.01 179.01 2afr h SER 179 N 0.21 0.00 -0.11 1.42 4.64 -1.03 -0.91 113.55 117.77 2afr h SER 179 Ca 0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 2afr h SER 179 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2afr h SER 179 CO 0.03 0.21 -0.79 0.40 -0.87 0.00 0.00 176.83 175.81 2afr h ILE 180 N 0.00 1.29 -0.01 0.95 1.08 -1.42 -2.92 117.51 116.48 2afr h ILE 180 Ca -0.00 -2.01 -0.07 0.00 -0.39 0.00 0.00 64.86 62.38 2afr h ILE 180 Cb 0.44 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 2afr h ILE 180 CO 0.03 0.63 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.70 2afr h LEU 181 N 0.43 0.03 -0.67 1.44 3.38 -1.20 -2.76 115.31 115.95 2afr h LEU 181 Ca -0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2afr h LEU 181 Cb 1.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2afr h LEU 181 CO 0.16 0.37 -0.17 0.11 0.09 0.00 0.00 178.44 179.00 2afr h LYS 182 N 0.02 0.86 -0.89 1.13 1.57 -1.13 0.18 116.57 118.31 2afr h LYS 182 Ca 0.00 -0.33 0.07 0.00 -1.87 0.00 0.00 60.65 58.53 2afr h LYS 182 Cb 0.62 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2afr h LYS 182 CO 0.05 0.96 0.55 -0.07 -0.57 0.00 0.00 179.45 180.37 2afr h LEU 183 N 0.76 0.85 -0.05 2.94 3.38 -1.30 0.67 115.31 122.57 2afr h LEU 183 Ca 0.11 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2afr h LEU 183 Cb 0.69 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2afr h LEU 183 CO 0.05 0.53 -0.80 -0.08 0.09 0.00 0.00 178.44 178.23 2afr h GLU 184 N 0.98 0.62 -0.92 1.13 4.81 -1.44 -0.37 114.58 119.40 2afr h GLU 184 Ca 0.40 -0.61 0.13 0.00 -0.13 0.00 0.00 59.36 59.15 2afr h GLU 184 Cb 0.23 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 2afr h GLU 184 CO -0.19 1.22 0.54 -0.92 -0.73 0.00 0.00 179.01 178.92 2afr h TYR 185 N 0.26 0.96 -0.09 0.92 3.20 0.16 0.29 116.97 122.67 2afr h TYR 185 Ca -0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2afr h TYR 185 Cb 1.46 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2afr h TYR 185 CO 0.11 0.32 0.00 0.66 -1.64 0.00 0.00 178.16 177.62 2afr n TYR 186 N -4.74 0.09 -3.75 -3.82 4.02 0.15 -4.96 117.16 104.16 2afr n TYR 186 Ca 0.18 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.90 57.78 2afr n TYR 186 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.74 2afr n TYR 186 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2afr n ASN 187 N 0.50 -2.97 0.16 7.72 3.02 0.09 -4.86 115.26 118.91 2afr n ASN 187 Ca 0.17 -0.77 0.12 0.00 -0.03 0.00 0.00 54.58 54.07 2afr n ASN 187 Cb 0.41 -4.15 0.08 0.00 -0.61 0.00 0.00 39.78 35.50 2afr n ASN 187 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2afr h VAL 188 N -2.03 0.00 -1.81 2.41 2.07 -1.35 -3.48 116.25 112.07 2afr h VAL 188 Ca -0.60 -1.00 0.22 0.00 0.82 0.00 0.00 66.70 66.14 2afr h VAL 188 Cb 1.36 1.72 -0.15 0.00 -1.52 0.00 0.00 31.29 32.71 2afr h VAL 188 CO 0.60 0.00 0.68 0.28 0.02 0.00 0.00 177.57 179.15 2afr s THR 189 N -3.29 0.00 -0.34 2.57 -1.32 -1.24 -5.06 115.64 106.96 2afr s THR 189 Ca 0.03 -0.13 0.09 0.00 -1.21 0.00 0.00 61.69 60.46 2afr s THR 189 Cb 0.07 -1.33 0.45 0.00 -1.51 0.00 0.00 72.50 70.19 2afr s THR 189 CO 0.74 0.00 1.14 -1.54 -2.21 0.00 0.00 174.62 172.75 2afr n SER 190 N -0.26 4.27 -4.66 8.08 3.41 -1.26 -4.32 113.62 118.87 2afr n SER 190 Ca -0.05 -3.49 -0.42 0.00 -0.26 0.00 0.00 58.87 54.65 2afr n SER 190 Cb 0.60 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2afr n SER 190 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2afr s ILE 191 N -4.71 3.62 0.63 -1.33 -1.09 -1.26 -4.96 121.20 112.10 2afr s ILE 191 Ca 0.46 0.80 -0.18 0.00 -2.23 0.00 0.00 60.65 59.50 2afr s ILE 191 Cb 0.40 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 2afr s ILE 191 CO -0.04 -0.06 1.29 -2.84 -1.23 0.00 0.00 174.94 172.06 2afr s PRO 192 N 3.73 2.65 0.13 2.79 0.02 -1.26 -4.88 135.00 138.18 2afr s PRO 192 Ca 0.71 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.68 2afr s PRO 192 Cb -0.32 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2afr s PRO 192 CO 0.28 -1.52 0.29 1.52 -0.33 0.00 0.00 177.00 177.23 2afr s TYR 193 N -1.40 0.18 -0.14 6.54 -0.85 -1.26 -1.37 117.35 119.04 2afr s TYR 193 Ca 0.81 -0.56 -0.04 0.00 -0.52 0.00 0.00 57.07 56.77 2afr s TYR 193 Cb -0.37 0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.05 2afr s TYR 193 CO 0.40 -0.67 0.07 0.42 -1.52 0.00 0.00 175.55 174.25 2afr s ILE 194 N -3.90 0.04 0.12 -3.49 1.01 -0.11 -1.30 121.20 113.56 2afr s ILE 194 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2afr s ILE 194 Cb 0.03 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 2afr s ILE 194 CO -0.06 -0.13 -0.15 -0.76 0.00 0.00 0.00 174.94 173.83 2afr s LEU 195 N 2.09 2.38 -0.45 2.97 1.43 -0.27 -1.07 118.68 125.75 2afr s LEU 195 Ca 0.02 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2afr s LEU 195 Cb -0.15 -0.61 0.12 0.00 0.03 0.00 0.00 46.19 45.58 2afr s LEU 195 CO -0.07 -0.10 0.20 0.42 0.23 0.00 0.00 176.35 177.03 2afr s THR 196 N -1.90 2.77 0.51 5.49 -4.23 -1.24 0.58 115.64 117.63 2afr s THR 196 Ca 0.08 -2.69 -0.22 0.00 -1.18 0.00 0.00 61.69 57.68 2afr s THR 196 Cb -0.06 -2.94 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 2afr s THR 196 CO 0.03 -0.72 1.14 0.23 -0.54 0.00 0.00 174.62 174.76 2afr n MET 197 N 3.85 1.42 0.00 3.99 0.00 0.45 -4.64 117.12 122.19 2afr n MET 197 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 57.70 58.26 2afr n MET 197 Cb 0.38 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.32 2afr n MET 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2afr n GLY 198 N 1.03 -0.51 0.08 3.03 0.00 -1.26 -4.52 105.19 103.04 2afr n GLY 198 Ca 0.10 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.31 2afr n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2afr n ARG 199 N 0.00 0.50 -2.57 1.61 1.74 -1.26 -2.48 116.66 114.19 2afr n ARG 199 Ca 0.00 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 2afr n ARG 199 Cb 0.00 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 2afr n ARG 199 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2afr s LYS 200 N -3.31 4.71 0.00 5.56 1.02 -1.26 -1.66 119.74 124.79 2afr s LYS 200 Ca 0.01 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.69 2afr s LYS 200 Cb 0.12 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2afr s LYS 200 CO 0.79 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.94 2afr n GLY 201 N 1.33 -0.61 0.00 -3.33 0.00 -1.26 -4.71 105.19 96.61 2afr n GLY 201 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2afr n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afr n GLY 202 N 0.00 4.02 0.29 -0.02 0.00 -0.38 -4.64 105.19 104.47 2afr n GLY 202 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.05 2afr n GLY 202 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2afr h SER 203 N 0.00 0.36 0.15 1.61 4.64 -1.77 -1.10 113.55 117.43 2afr h SER 203 Ca 0.00 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2afr h SER 203 Cb 0.00 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2afr h SER 203 CO 0.00 0.29 -0.40 0.74 -0.87 0.00 0.00 176.83 176.59 2afr h THR 204 N 0.41 1.31 -0.36 2.95 2.02 -1.92 -0.38 112.91 116.94 2afr h THR 204 Ca 0.11 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.66 2afr h THR 204 Cb 0.02 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2afr h THR 204 CO -0.02 0.46 -0.18 0.40 0.37 0.00 0.00 175.52 176.56 2afr h ILE 205 N 0.27 1.28 -0.54 3.11 5.03 -1.56 -1.67 117.51 123.43 2afr h ILE 205 Ca 0.03 -1.30 -0.02 0.00 -0.12 0.00 0.00 64.86 63.45 2afr h ILE 205 Cb 0.83 1.35 -0.02 0.00 -3.03 0.00 0.00 36.82 35.94 2afr h ILE 205 CO 0.07 0.43 0.27 0.00 -0.68 0.00 0.00 178.15 178.24 2afr h ALA 206 N 0.79 0.70 -0.65 1.87 0.00 -1.02 -1.10 119.26 119.84 2afr h ALA 206 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2afr h ALA 206 Cb 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2afr h ALA 206 CO 0.05 0.25 0.08 0.28 0.00 0.00 0.00 179.25 179.91 2afr h VAL 207 N 0.73 1.26 -0.58 0.00 2.07 -1.01 -1.68 116.25 117.04 2afr h VAL 207 Ca 0.19 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2afr h VAL 207 Cb 0.10 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2afr h VAL 207 CO -0.03 0.40 0.23 0.00 0.02 0.00 0.00 177.57 178.19 2afr h ALA 208 N 1.05 1.30 -0.30 1.67 0.00 -0.95 -0.51 119.26 121.53 2afr h ALA 208 Ca 0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2afr h ALA 208 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2afr h ALA 208 CO 0.02 0.52 -0.29 0.82 0.00 0.00 0.00 179.25 180.31 2afr h ILE 209 N 0.84 1.30 -0.63 0.00 2.04 -0.84 -1.86 117.51 118.36 2afr h ILE 209 Ca 0.20 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 2afr h ILE 209 Cb 0.17 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2afr h ILE 209 CO -0.02 0.47 0.31 -0.07 0.00 0.00 0.00 178.15 178.84 2afr h LEU 210 N 0.48 0.81 -1.08 1.44 3.38 -0.93 -1.28 115.31 118.14 2afr h LEU 210 Ca 0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2afr h LEU 210 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2afr h LEU 210 CO 0.07 0.71 -0.16 0.45 0.09 0.00 0.00 178.44 179.61 2afr h HIS 211 N 0.86 0.50 -0.52 1.13 3.86 -1.07 -0.39 115.15 119.53 2afr h HIS 211 Ca 0.22 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2afr h HIS 211 Cb 0.11 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 2afr h HIS 211 CO -0.00 0.60 -0.00 0.00 0.86 0.00 0.00 177.93 179.39 2afr h ALA 212 N 1.41 0.70 0.22 2.45 0.00 -0.79 -1.31 119.26 121.94 2afr h ALA 212 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2afr h ALA 212 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2afr h ALA 212 CO 0.03 0.51 -0.11 -0.07 0.00 0.00 0.00 179.25 179.62 2afr h LEU 213 N 0.78 -0.26 -1.28 0.00 3.38 -0.79 0.90 115.31 118.05 2afr h LEU 213 Ca 0.15 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.15 2afr h LEU 213 Cb 0.53 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2afr h LEU 213 CO 0.03 -0.07 0.57 -0.07 0.09 0.00 0.00 178.44 178.99 2afr h LEU 214 N -0.43 0.69 0.13 1.67 3.38 -1.01 0.24 115.31 119.97 2afr h LEU 214 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2afr h LEU 214 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2afr h LEU 214 CO 0.05 0.37 -0.06 0.25 0.09 0.00 0.00 178.44 179.14 2afr h LEU 215 N 0.74 -0.15 -1.05 1.67 5.85 -0.98 -2.23 115.31 119.16 2afr h LEU 215 Ca 0.43 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.95 2afr h LEU 215 Cb 0.61 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 2afr h LEU 215 CO -0.19 0.28 0.62 -0.07 -0.34 0.00 0.00 178.44 178.74 2afr h LEU 216 N -0.62 0.88 0.13 2.25 3.38 -0.05 0.31 115.31 121.59 2afr h LEU 216 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2afr h LEU 216 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2afr h LEU 216 CO 0.03 0.45 -0.12 -1.28 0.09 0.00 0.00 178.44 177.60 2afr h SER 217 N 0.93 -0.32 -0.32 -0.43 0.87 -0.50 -0.65 113.55 113.13 2afr h SER 217 Ca 0.50 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 61.09 2afr h SER 217 Cb 0.57 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2afr h SER 217 CO -0.27 -0.19 0.17 0.28 -0.53 0.00 0.00 176.83 176.29 2afr h SER 218 N -0.27 0.40 -0.02 6.23 0.02 -0.56 -2.60 113.55 116.73 2afr h SER 218 Ca 0.00 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2afr h SER 218 Cb 0.26 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2afr h SER 218 CO -0.03 0.37 0.02 0.11 -1.14 0.00 0.00 176.83 176.16 2afr h LYS 219 N 0.39 0.00 0.00 3.45 1.57 -0.23 -0.20 116.57 121.55 2afr h LYS 219 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2afr h LYS 219 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2afr h LYS 219 CO -0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 2afr n ARG 220 N -4.42 0.32 0.00 3.15 1.74 -0.27 -5.08 116.66 112.10 2afr n ARG 220 Ca -0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 2afr n ARG 220 Cb 0.11 -1.33 0.03 0.00 -1.02 0.00 0.00 32.46 30.26 2afr n ARG 220 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52