#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2l s THR 6 N 0.00 3.06 0.34 3.34 2.01 -1.26 -5.09 115.64 118.03 1f2l s THR 6 Ca 0.00 -1.31 0.08 0.00 0.31 0.00 0.00 61.69 60.77 1f2l s THR 6 Cb 0.00 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1f2l s THR 6 CO 0.00 -0.07 0.16 -0.54 -0.69 0.00 0.00 174.62 173.48 1f2l s LYS 7 N 1.28 2.41 -0.26 4.92 -0.14 -1.26 -4.69 119.74 122.00 1f2l s LYS 7 Ca -0.04 -1.52 -0.29 0.00 -1.36 0.00 0.00 55.97 52.76 1f2l s LYS 7 Cb -0.19 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1f2l s LYS 7 CO -0.01 0.11 1.65 0.00 -0.76 0.00 0.00 175.35 176.34 1f2l n ASN 9 N 8.93 0.00 -4.82 0.00 5.15 -1.26 -5.00 115.26 118.26 1f2l n ASN 9 Ca 0.20 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.80 1f2l n ASN 9 Cb 0.46 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 1f2l n ASN 9 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1f2l s ILE 10 N 0.84 4.80 0.24 -1.44 2.07 -1.26 -5.05 121.20 121.41 1f2l s ILE 10 Ca 0.00 1.06 -0.12 0.00 -1.41 0.00 0.00 60.65 60.18 1f2l s ILE 10 Cb 0.00 -3.83 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 1f2l s ILE 10 CO 0.00 0.44 0.45 0.28 -1.91 0.00 0.00 174.94 174.20 1f2l s THR 11 N -1.24 0.00 0.06 4.00 -1.32 -1.26 -4.48 115.64 111.39 1f2l s THR 11 Ca 0.32 -1.46 -0.19 0.00 -1.21 0.00 0.00 61.69 59.16 1f2l s THR 11 Cb -0.18 -2.24 0.04 0.00 -1.51 0.00 0.00 72.50 68.62 1f2l s THR 11 CO 0.19 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 173.03 1f2l n SER 13 N 0.35 0.00 -4.72 0.00 3.41 -1.26 -4.94 113.62 106.45 1f2l n SER 13 Ca -0.18 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 1f2l n SER 13 Cb 0.61 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1f2l n SER 13 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1f2l s LYS 14 N -0.96 4.38 0.16 4.33 -2.85 -1.26 -5.02 119.74 118.52 1f2l s LYS 14 Ca 0.00 1.97 -0.02 0.00 -1.00 0.00 0.00 55.97 56.92 1f2l s LYS 14 Cb 0.00 -3.26 0.04 0.00 -2.06 0.00 0.00 37.83 32.54 1f2l s LYS 14 CO 0.00 -0.31 0.22 -1.33 0.10 0.00 0.00 175.35 174.02 1f2l n MET 15 N 3.51 0.03 -3.90 1.78 2.81 -1.26 -4.14 117.12 115.96 1f2l n MET 15 Ca 0.09 -0.41 -0.11 0.00 -1.81 0.00 0.00 57.70 55.46 1f2l n MET 15 Cb 0.44 -0.20 -0.12 0.00 -0.71 0.00 0.00 33.22 32.62 1f2l n MET 15 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1f2l s THR 16 N -1.09 0.04 0.72 2.03 2.01 -0.76 -4.80 115.64 113.79 1f2l s THR 16 Ca 0.13 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 1f2l s THR 16 Cb -0.00 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.37 1f2l s THR 16 CO 0.09 -0.20 1.09 -0.94 -0.69 0.00 0.00 174.62 173.97 1f2l s SER 17 N -0.59 4.83 -0.78 3.53 1.04 -1.26 -4.79 113.70 115.67 1f2l s SER 17 Ca -0.07 1.85 -0.36 0.00 0.48 0.00 0.00 55.95 57.85 1f2l s SER 17 Cb -0.04 -2.53 -0.20 0.00 0.10 0.00 0.00 66.02 63.35 1f2l s SER 17 CO -0.00 -1.81 2.48 1.17 0.98 0.00 0.00 173.24 176.05 1f2l n LYS 18 N -3.10 0.07 -3.03 4.02 4.81 -1.26 -4.90 118.16 114.76 1f2l n LYS 18 Ca 0.09 0.01 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 1f2l n LYS 18 Cb 0.53 -1.60 -0.05 0.00 0.02 0.00 0.00 35.03 33.93 1f2l n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1f2l s ILE 19 N 7.99 4.92 -0.09 3.15 1.01 -1.26 -5.00 121.20 131.93 1f2l s ILE 19 Ca 1.28 1.50 -0.37 0.00 0.00 0.00 0.00 60.65 63.06 1f2l s ILE 19 Cb -1.29 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 36.97 1f2l s ILE 19 CO 0.54 0.30 1.64 -2.65 0.00 0.00 0.00 174.94 174.78 1f2l n PRO 20 N 3.35 1.49 0.29 2.79 -0.02 -1.26 -4.83 135.00 136.80 1f2l n PRO 20 Ca -0.02 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.15 1f2l n PRO 20 Cb 0.51 -2.26 0.87 0.00 -0.02 0.00 0.00 33.50 32.60 1f2l n PRO 20 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1f2l h VAL 21 N 4.56 0.54 0.00 -1.45 -1.51 -1.96 -0.93 116.25 115.50 1f2l h VAL 21 Ca -0.47 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1f2l h VAL 21 Cb 1.31 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1f2l h VAL 21 CO 0.90 0.03 -0.15 0.00 -1.23 0.00 0.00 177.57 177.12 1f2l h ALA 22 N 1.97 1.19 0.00 5.19 0.00 -2.02 -1.21 119.26 124.38 1f2l h ALA 22 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f2l h ALA 22 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f2l h ALA 22 CO 0.00 0.18 -0.18 1.28 0.00 0.00 0.00 179.25 180.53 1f2l n LEU 23 N -3.54 0.62 -4.78 0.00 4.77 -0.35 -4.87 117.00 108.85 1f2l n LEU 23 Ca -0.01 0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 56.02 1f2l n LEU 23 Cb 0.29 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1f2l n LEU 23 CO 0.31 -0.10 0.42 -0.76 -1.33 0.00 0.00 177.39 175.92 1f2l s LEU 24 N -4.09 4.53 -0.00 2.23 1.43 -0.46 0.12 118.68 122.45 1f2l s LEU 24 Ca 0.10 1.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1f2l s LEU 24 Cb 0.14 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1f2l s LEU 24 CO 0.62 0.17 0.03 2.30 0.23 0.00 0.00 176.35 179.71 1f2l n ILE 25 N 1.98 0.00 -3.53 -0.59 -5.35 -0.45 -4.76 119.36 106.66 1f2l n ILE 25 Ca -0.06 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 1f2l n ILE 25 Cb 0.50 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 39.23 1f2l n ILE 25 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1f2l s HIS 26 N -1.34 -0.35 0.09 4.28 5.04 -1.08 -5.00 115.29 116.92 1f2l s HIS 26 Ca 0.00 0.38 -0.09 0.00 -1.54 0.00 0.00 55.06 53.81 1f2l s HIS 26 Cb 0.01 0.50 -0.00 0.00 0.04 0.00 0.00 32.58 33.13 1f2l s HIS 26 CO 0.04 -0.46 0.20 1.52 -2.34 0.00 0.00 174.74 173.69 1f2l s TYR 27 N -2.34 0.16 -0.26 3.88 -0.85 -1.26 -0.89 117.35 115.78 1f2l s TYR 27 Ca 0.02 -0.59 -0.25 0.00 -0.52 0.00 0.00 57.07 55.74 1f2l s TYR 27 Cb -0.01 -0.06 0.07 0.00 0.38 0.00 0.00 41.96 42.35 1f2l s TYR 27 CO -0.05 -0.55 0.71 1.14 -1.52 0.00 0.00 175.55 175.29 1f2l s GLN 28 N -3.87 0.84 0.67 -3.49 -2.07 -0.44 -4.98 119.66 106.33 1f2l s GLN 28 Ca 0.05 0.97 -0.11 0.00 -1.82 0.00 0.00 55.36 54.45 1f2l s GLN 28 Cb 0.05 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 1f2l s GLN 28 CO -0.11 -0.11 1.06 1.14 -1.32 0.00 0.00 175.29 175.95 1f2l s GLN 29 N 0.32 3.13 0.98 9.60 -2.07 -1.26 0.24 119.66 130.60 1f2l s GLN 29 Ca -0.00 0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 54.13 1f2l s GLN 29 Cb -0.05 -2.03 0.18 0.00 -1.09 0.00 0.00 33.01 30.02 1f2l s GLN 29 CO 0.01 -0.90 1.18 0.54 -1.32 0.00 0.00 175.29 174.81 1f2l s ASN 30 N -4.08 2.95 0.57 12.60 2.20 -0.37 -4.82 114.94 123.99 1f2l s ASN 30 Ca 0.57 0.70 -0.17 0.00 -0.94 0.00 0.00 52.86 53.02 1f2l s ASN 30 Cb -0.12 -1.06 -0.04 0.00 -2.00 0.00 0.00 41.25 38.03 1f2l s ASN 30 CO 0.54 -2.87 1.06 -1.10 -2.94 0.00 0.00 177.10 171.79 1f2l s GLN 31 N -5.49 3.38 0.27 3.55 1.11 -1.26 -4.89 119.66 116.32 1f2l s GLN 31 Ca 0.68 1.28 -0.01 0.00 0.01 0.00 0.00 55.36 57.31 1f2l s GLN 31 Cb -0.11 -2.04 0.45 0.00 -1.01 0.00 0.00 33.01 30.31 1f2l s GLN 31 CO 0.53 -0.77 1.86 0.00 0.01 0.00 0.00 175.29 176.92 1f2l h ALA 32 N 0.69 1.41 0.00 6.09 0.00 -1.92 -0.18 119.26 125.35 1f2l h ALA 32 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1f2l h ALA 32 Cb 1.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1f2l h ALA 32 CO 0.57 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.60 1f2l n SER 33 N -4.56 0.00 0.19 0.00 7.64 -1.26 -1.36 113.62 114.27 1f2l n SER 33 Ca 0.16 0.22 0.14 0.00 1.01 0.00 0.00 58.87 60.40 1f2l n SER 33 Cb 0.24 -0.33 0.49 0.00 -1.01 0.00 0.00 64.21 63.59 1f2l n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f2l n GLY 35 N 0.43 0.97 3.73 0.00 0.00 -0.46 -5.00 105.19 104.87 1f2l n GLY 35 Ca 0.03 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1f2l n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f2l n LYS 36 N 0.52 1.67 -2.66 1.61 4.81 -1.26 -4.88 118.16 117.97 1f2l n LYS 36 Ca 0.00 0.61 -0.41 0.00 -0.87 0.00 0.00 58.31 57.64 1f2l n LYS 36 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 35.03 32.47 1f2l n LYS 36 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1f2l s ARG 37 N -2.82 4.65 0.02 1.64 3.52 -1.26 -4.97 118.95 119.73 1f2l s ARG 37 Ca 0.71 1.52 0.03 0.00 -0.13 0.00 0.00 55.73 57.87 1f2l s ARG 37 Cb -0.42 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1f2l s ARG 37 CO 0.50 0.13 -0.11 0.00 -0.81 0.00 0.00 175.30 175.01 1f2l s ALA 38 N 0.12 0.86 -0.20 6.12 0.00 -1.26 -4.54 121.76 122.86 1f2l s ALA 38 Ca 0.49 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1f2l s ALA 38 Cb -0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1f2l s ALA 38 CO 0.31 0.15 0.05 0.42 0.00 0.00 0.00 175.76 176.68 1f2l s ILE 39 N -0.74 4.52 -0.28 0.00 -1.09 0.23 -1.24 121.20 122.60 1f2l s ILE 39 Ca -0.00 -0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.12 1f2l s ILE 39 Cb -0.07 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1f2l s ILE 39 CO 0.01 0.43 0.48 -0.63 -1.23 0.00 0.00 174.94 173.99 1f2l s ILE 40 N 0.71 5.09 -0.16 2.92 1.09 0.14 -0.60 121.20 130.38 1f2l s ILE 40 Ca 0.03 0.69 -0.09 0.00 -1.10 0.00 0.00 60.65 60.18 1f2l s ILE 40 Cb -0.13 -3.82 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 1f2l s ILE 40 CO 0.02 0.05 0.14 -0.76 -0.10 0.00 0.00 174.94 174.29 1f2l s LEU 41 N 2.26 4.29 -0.12 2.97 1.43 0.15 -1.33 118.68 128.33 1f2l s LEU 41 Ca 0.19 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1f2l s LEU 41 Cb -0.16 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1f2l s LEU 41 CO 0.10 0.27 -0.18 -0.70 0.23 0.00 0.00 176.35 176.07 1f2l s GLU 42 N -0.20 3.23 0.60 1.70 2.12 -0.07 -0.11 118.70 125.97 1f2l s GLU 42 Ca 0.11 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 1f2l s GLU 42 Cb -0.12 -2.49 0.05 0.00 0.26 0.00 0.00 34.13 31.83 1f2l s GLU 42 CO 0.01 0.21 0.85 0.95 -0.54 0.00 0.00 175.26 176.73 1f2l s THR 43 N 0.33 2.53 0.28 -1.70 -4.23 -0.59 -1.35 115.64 110.91 1f2l s THR 43 Ca -0.14 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1f2l s THR 43 Cb -0.17 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 70.97 1f2l s THR 43 CO 0.07 0.00 1.76 0.03 -0.54 0.00 0.00 174.62 175.94 1f2l h ARG 44 N -0.14 0.62 0.00 3.99 2.47 0.67 0.48 114.38 122.47 1f2l h ARG 44 Ca -0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1f2l h ARG 44 Cb 1.30 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1f2l h ARG 44 CO 0.53 0.41 0.00 1.04 0.56 0.00 0.00 179.97 182.51 1f2l n GLN 45 N -4.86 0.93 -1.91 0.04 1.13 -1.26 -4.87 117.38 106.57 1f2l n GLN 45 Ca 0.19 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1f2l n GLN 45 Cb 0.50 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 1f2l n GLN 45 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1f2l n HIS 46 N -0.97 -0.32 -2.01 1.08 8.25 0.17 -5.03 115.22 116.39 1f2l n HIS 46 Ca 0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.35 1f2l n HIS 46 Cb 0.09 -2.22 -0.00 0.00 1.12 0.00 0.00 29.99 28.99 1f2l n HIS 46 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1f2l s ARG 47 N -3.98 3.65 -0.12 -0.41 0.52 -1.26 -4.77 118.95 112.59 1f2l s ARG 47 Ca 0.00 0.84 0.03 0.00 -0.52 0.00 0.00 55.73 56.08 1f2l s ARG 47 Cb 0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1f2l s ARG 47 CO 0.00 -0.53 -0.22 -0.51 0.02 0.00 0.00 175.30 174.07 1f2l s LEU 48 N -4.86 2.04 0.23 2.53 1.43 -1.26 -1.53 118.68 117.25 1f2l s LEU 48 Ca 0.57 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1f2l s LEU 48 Cb -0.11 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1f2l s LEU 48 CO 0.47 0.11 -0.06 -0.36 0.23 0.00 0.00 176.35 176.73 1f2l s PHE 49 N 0.62 1.65 -0.14 0.29 0.08 0.84 -4.97 117.98 116.36 1f2l s PHE 49 Ca -0.13 -0.77 -0.06 0.00 0.12 0.00 0.00 56.93 56.09 1f2l s PHE 49 Cb -0.17 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1f2l s PHE 49 CO 0.03 0.14 0.09 0.00 -0.10 0.00 0.00 175.22 175.39 1f2l s ALA 51 N -0.48 0.44 -0.38 0.00 0.00 0.24 -1.84 121.76 119.75 1f2l s ALA 51 Ca 0.11 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 1f2l s ALA 51 Cb -0.12 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1f2l s ALA 51 CO 0.02 -0.04 0.72 0.34 0.00 0.00 0.00 175.76 176.79 1f2l s ASP 52 N -1.42 6.47 0.07 0.00 2.15 -1.26 -0.60 116.67 122.08 1f2l s ASP 52 Ca -0.10 0.16 0.15 0.00 0.43 0.00 0.00 52.55 53.18 1f2l s ASP 52 Cb -0.09 -2.36 0.64 0.00 -0.30 0.00 0.00 42.92 40.81 1f2l s ASP 52 CO 0.00 -0.71 1.47 -0.81 -0.17 0.00 0.00 175.17 174.94 1f2l n PRO 53 N 6.31 0.05 0.24 4.34 -0.04 -1.26 -1.66 135.00 142.98 1f2l n PRO 53 Ca 0.01 0.34 0.15 0.00 -0.04 0.00 0.00 63.50 63.96 1f2l n PRO 53 Cb 0.48 -1.61 0.52 0.00 -0.04 0.00 0.00 33.50 32.86 1f2l n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1f2l h LYS 54 N 0.00 0.00 -6.70 0.54 1.57 -1.93 -3.40 116.57 106.65 1f2l h LYS 54 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1f2l h LYS 54 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1f2l h LYS 54 CO 0.00 0.00 0.37 -1.21 -0.57 0.00 0.00 179.45 178.04 1f2l s GLU 55 N -3.48 4.78 0.41 3.15 2.02 -0.67 -4.96 118.70 119.96 1f2l s GLU 55 Ca 0.03 1.51 0.19 0.00 0.02 0.00 0.00 54.97 56.73 1f2l s GLU 55 Cb 0.08 -3.30 0.89 0.00 0.10 0.00 0.00 34.13 31.91 1f2l s GLU 55 CO 0.56 0.39 1.85 0.37 0.02 0.00 0.00 175.26 178.44 1f2l h GLN 56 N 4.59 0.00 0.00 1.61 5.75 -1.88 -2.24 115.11 122.94 1f2l h GLN 56 Ca -0.44 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 57.99 1f2l h GLN 56 Cb 1.20 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1f2l h GLN 56 CO 0.69 0.31 -0.32 0.11 -2.65 0.00 0.00 178.83 176.96 1f2l h TRP 57 N 0.00 0.00 -0.08 3.99 5.08 -1.94 -0.11 115.95 122.89 1f2l h TRP 57 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.88 1f2l h TRP 57 Cb 0.68 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.84 1f2l h TRP 57 CO 0.00 0.32 -0.28 0.28 -1.28 0.00 0.00 178.44 177.48 1f2l h VAL 58 N 0.00 1.42 -0.69 0.12 2.07 -1.70 0.29 116.25 117.76 1f2l h VAL 58 Ca -0.00 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.88 1f2l h VAL 58 Cb 0.75 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 1f2l h VAL 58 CO 0.04 0.48 0.44 0.11 0.02 0.00 0.00 177.57 178.66 1f2l h LYS 59 N -0.15 0.86 -0.18 1.57 1.57 -1.19 0.33 116.57 119.38 1f2l h LYS 59 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1f2l h LYS 59 Cb 0.91 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1f2l h LYS 59 CO 0.06 0.57 0.08 -0.44 -0.57 0.00 0.00 179.45 179.15 1f2l h ASP 60 N 0.88 0.24 -0.25 0.86 3.32 -1.00 0.97 116.42 121.44 1f2l h ASP 60 Ca 0.27 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.24 1f2l h ASP 60 Cb -0.03 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1f2l h ASP 60 CO -0.09 0.31 -0.15 0.00 -1.72 0.00 0.00 179.24 177.59 1f2l h ALA 61 N 0.94 0.03 -0.69 3.45 0.00 0.13 -0.07 119.26 123.05 1f2l h ALA 61 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1f2l h ALA 61 Cb 0.14 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1f2l h ALA 61 CO -0.01 -0.57 0.44 0.52 0.00 0.00 0.00 179.25 179.63 1f2l h MET 62 N -0.14 0.84 -0.63 0.00 2.86 0.10 -1.58 114.93 116.39 1f2l h MET 62 Ca 0.14 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1f2l h MET 62 Cb 0.34 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1f2l h MET 62 CO -0.33 0.55 0.06 1.96 1.06 0.00 0.00 176.91 180.21 1f2l h GLN 63 N 0.86 1.08 -0.08 1.72 4.20 -0.13 -1.54 115.11 121.23 1f2l h GLN 63 Ca 0.27 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1f2l h GLN 63 Cb -0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1f2l h GLN 63 CO -0.09 1.02 -0.05 1.25 -0.67 0.00 0.00 178.83 180.28 1f2l h HIS 64 N 0.99 -0.12 -0.92 2.96 2.76 -0.66 -2.07 115.15 118.08 1f2l h HIS 64 Ca 0.19 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 1f2l h HIS 64 Cb 0.49 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.45 1f2l h HIS 64 CO 0.04 -0.08 0.58 -0.07 -1.30 0.00 0.00 177.93 177.09 1f2l h LEU 65 N -0.05 0.91 -1.38 0.26 4.07 -1.11 0.32 115.31 118.32 1f2l h LEU 65 Ca 0.05 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.13 1f2l h LEU 65 Cb 0.13 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 1f2l h LEU 65 CO -0.11 0.57 0.51 0.44 -1.08 0.00 0.00 178.44 178.77 1f2l h ASP 66 N 1.04 0.62 0.19 -0.43 3.32 -0.83 0.87 116.42 121.19 1f2l h ASP 66 Ca 0.40 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1f2l h ASP 66 Cb 0.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1f2l h ASP 66 CO -0.18 0.36 -0.07 0.54 -1.72 0.00 0.00 179.24 178.17 1f2l n ARG 67 N -4.51 1.00 0.00 3.56 1.74 -0.06 -5.11 116.66 113.28 1f2l n ARG 67 Ca 0.13 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1f2l n ARG 67 Cb 0.35 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1f2l n ARG 67 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05