#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6r s GLN 2 N 0.00 3.14 0.62 5.31 1.03 -1.26 -2.68 119.66 125.81 1f6r s GLN 2 Ca 0.00 -0.81 -0.03 0.00 0.04 0.00 0.00 55.36 54.56 1f6r s GLN 2 Cb 0.00 -4.06 0.04 0.00 0.03 0.00 0.00 33.01 29.02 1f6r s GLN 2 CO 0.00 -1.15 0.89 -0.51 -2.54 0.00 0.00 175.29 171.98 1f6r s LEU 3 N 2.59 3.10 0.33 2.60 1.43 -1.11 -5.06 118.68 122.56 1f6r s LEU 3 Ca 0.16 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1f6r s LEU 3 Cb -0.18 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1f6r s LEU 3 CO 0.13 -1.29 0.42 0.42 0.23 0.00 0.00 176.35 176.26 1f6r s THR 4 N -2.99 3.97 0.17 5.49 -4.23 -1.26 -4.90 115.64 111.89 1f6r s THR 4 Ca 0.57 -1.09 -0.23 0.00 -1.18 0.00 0.00 61.69 59.77 1f6r s THR 4 Cb -0.11 -3.37 0.07 0.00 1.34 0.00 0.00 72.50 70.44 1f6r s THR 4 CO 0.42 -0.17 1.59 0.50 -0.54 0.00 0.00 174.62 176.43 1f6r h LYS 5 N 0.99 -0.22 0.00 3.99 3.64 -1.99 -0.91 116.57 122.07 1f6r h LYS 5 Ca -0.46 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 1f6r h LYS 5 Cb 1.25 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1f6r h LYS 5 CO 0.54 -0.15 -0.34 0.00 -2.27 0.00 0.00 179.45 177.24 1f6r h GLU 7 N 0.00 0.81 -0.18 0.00 5.08 -1.68 -0.17 114.58 118.43 1f6r h GLU 7 Ca -0.00 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1f6r h GLU 7 Cb 0.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1f6r h GLU 7 CO 0.04 0.94 0.03 0.28 -1.00 0.00 0.00 179.01 179.30 1f6r h VAL 8 N 0.62 1.23 -0.69 3.13 2.07 -0.81 -1.24 116.25 120.57 1f6r h VAL 8 Ca 0.10 -0.74 0.14 0.00 0.82 0.00 0.00 66.70 67.02 1f6r h VAL 8 Cb 0.65 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 1f6r h VAL 8 CO 0.04 0.23 0.14 0.15 0.02 0.00 0.00 177.57 178.15 1f6r h PHE 9 N 0.09 0.21 0.19 1.57 3.57 -0.37 -1.92 116.94 120.28 1f6r h PHE 9 Ca 0.06 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1f6r h PHE 9 Cb 0.32 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1f6r h PHE 9 CO 0.02 -0.08 -0.09 0.00 -2.23 0.00 0.00 178.31 175.93 1f6r h ARG 10 N 0.25 -0.24 0.00 1.11 3.08 -0.80 -3.21 114.38 114.56 1f6r h ARG 10 Ca 0.38 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 1f6r h ARG 10 Cb 0.62 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1f6r h ARG 10 CO -0.49 -0.03 -0.01 0.93 -1.07 0.00 0.00 179.97 179.31 1f6r h GLU 11 N -0.42 0.00 -0.74 0.04 5.08 -0.65 -2.96 114.58 114.93 1f6r h GLU 11 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1f6r h GLU 11 Cb 0.33 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.39 1f6r h GLU 11 CO 0.04 0.01 0.34 1.28 -1.00 0.00 0.00 179.01 179.68 1f6r n LEU 12 N -3.11 5.84 -0.34 1.33 4.77 -0.78 -4.67 117.00 120.05 1f6r n LEU 12 Ca -0.01 -3.48 0.01 0.00 -0.03 0.00 0.00 56.01 52.50 1f6r n LEU 12 Cb 0.18 -0.75 0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1f6r n LEU 12 CO 0.24 0.99 1.23 0.07 -1.33 0.00 0.00 177.39 178.58 1f6r h LYS 13 N 1.61 1.05 -0.01 3.23 2.10 -1.63 -1.76 116.57 121.17 1f6r h LYS 13 Ca 0.39 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1f6r h LYS 13 Cb 2.37 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1f6r h LYS 13 CO 0.79 0.69 0.07 -0.44 -2.00 0.00 0.00 179.45 178.56 1f6r h ASP 14 N 1.08 0.00 0.33 7.07 3.32 -1.89 0.28 116.42 126.61 1f6r h ASP 14 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1f6r h ASP 14 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1f6r h ASP 14 CO -0.17 0.00 -0.21 0.18 -1.72 0.00 0.00 179.24 177.33 1f6r n LEU 15 N -3.10 0.73 -4.69 1.55 4.77 -0.66 -4.72 117.00 110.87 1f6r n LEU 15 Ca -0.03 -0.11 -0.50 0.00 -0.03 0.00 0.00 56.01 55.34 1f6r n LEU 15 Cb 0.14 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1f6r n LEU 15 CO 0.19 0.14 1.42 1.17 -1.33 0.00 0.00 177.39 178.98 1f6r n LYS 16 N -0.87 1.91 -0.18 3.23 4.81 0.98 -1.21 118.16 126.83 1f6r n LYS 16 Ca 0.12 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1f6r n LYS 16 Cb 0.32 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1f6r n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6r n GLY 17 N 4.23 1.17 3.70 3.14 0.00 -0.42 -4.96 105.19 112.06 1f6r n GLY 17 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1f6r n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f6r s TYR 18 N -2.06 2.48 -1.41 1.61 5.04 -0.35 -0.10 117.35 122.56 1f6r s TYR 18 Ca 0.00 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1f6r s TYR 18 Cb 0.00 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.20 1f6r s TYR 18 CO 0.00 -4.42 0.00 0.41 -1.34 0.00 0.00 175.55 170.20 1f6r n GLY 19 N 4.08 1.39 2.19 8.97 0.00 -1.26 -2.60 105.19 117.96 1f6r n GLY 19 Ca 0.17 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1f6r n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6r n GLY 20 N -1.13 0.77 3.53 -0.02 0.00 0.86 -4.91 105.19 104.28 1f6r n GLY 20 Ca -0.13 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1f6r n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6r s VAL 21 N -2.15 3.89 0.62 1.61 0.11 -1.07 -4.93 120.40 118.48 1f6r s VAL 21 Ca 0.00 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 1f6r s VAL 21 Cb 0.00 -2.68 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1f6r s VAL 21 CO 0.00 0.52 1.00 -0.94 -3.33 0.00 0.00 175.10 172.35 1f6r s SER 22 N 0.06 5.99 0.20 3.54 1.04 -1.26 -1.31 113.70 121.97 1f6r s SER 22 Ca -0.00 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1f6r s SER 22 Cb -0.13 -2.24 0.14 0.00 0.10 0.00 0.00 66.02 63.88 1f6r s SER 22 CO 0.03 -0.96 1.85 -0.07 0.98 0.00 0.00 173.24 175.07 1f6r h LEU 23 N -0.31 0.87 -1.41 2.42 3.38 -1.95 -1.87 115.31 116.44 1f6r h LEU 23 Ca -0.45 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 57.59 1f6r h LEU 23 Cb 1.21 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1f6r h LEU 23 CO 0.62 0.67 0.52 -0.65 0.09 0.00 0.00 178.44 179.70 1f6r h PRO 24 N 1.00 0.60 -0.43 1.13 0.11 -1.95 0.59 132.00 133.05 1f6r h PRO 24 Ca 0.26 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 1f6r h PRO 24 Cb -0.05 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1f6r h PRO 24 CO -0.05 0.40 -0.04 0.93 -0.21 0.00 0.00 178.00 179.03 1f6r h GLU 25 N 0.62 0.79 -0.31 1.05 5.08 -1.62 -2.22 114.58 117.97 1f6r h GLU 25 Ca 0.39 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1f6r h GLU 25 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1f6r h GLU 25 CO -0.15 0.88 -0.03 -1.49 -1.00 0.00 0.00 179.01 177.22 1f6r h TRP 26 N 0.62 0.62 -0.19 4.33 -0.00 -0.86 -0.85 115.95 119.62 1f6r h TRP 26 Ca 0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1f6r h TRP 26 Cb 0.55 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 1f6r h TRP 26 CO 0.04 0.71 0.07 0.28 -0.00 0.00 0.00 178.44 179.54 1f6r h VAL 27 N 0.35 1.09 -0.02 1.49 2.07 -0.92 -0.51 116.25 119.80 1f6r h VAL 27 Ca 0.08 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1f6r h VAL 27 Cb 0.48 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1f6r h VAL 27 CO 0.02 0.10 -0.25 0.00 0.02 0.00 0.00 177.57 177.46 1f6r h THR 29 N -0.43 1.19 0.00 0.00 2.02 -0.75 -2.39 112.91 112.54 1f6r h THR 29 Ca -0.03 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1f6r h THR 29 Cb 0.97 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1f6r h THR 29 CO 0.05 0.20 -0.29 0.71 0.37 0.00 0.00 175.52 176.56 1f6r h THR 30 N 0.47 1.08 -0.37 3.16 1.35 -1.24 0.40 112.91 117.76 1f6r h THR 30 Ca 0.13 -1.05 -0.14 0.00 -0.55 0.00 0.00 66.41 64.79 1f6r h THR 30 Cb 0.17 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1f6r h THR 30 CO -0.01 0.29 -0.35 0.15 -0.25 0.00 0.00 175.52 175.35 1f6r h PHE 31 N 0.00 0.99 0.00 4.73 3.57 -1.41 0.21 116.94 125.04 1f6r h PHE 31 Ca -0.00 -0.28 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 1f6r h PHE 31 Cb 0.57 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1f6r h PHE 31 CO 0.00 1.06 -0.43 0.45 -2.23 0.00 0.00 178.31 177.17 1f6r h HIS 32 N 0.70 0.00 0.16 0.41 3.86 -0.87 -1.09 115.15 118.33 1f6r h HIS 32 Ca 0.07 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.94 1f6r h HIS 32 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1f6r h HIS 32 CO 0.05 0.43 -1.71 1.79 0.86 0.00 0.00 177.93 179.35 1f6r h THR 33 N 0.00 0.91 0.00 2.45 1.35 -0.75 -3.43 112.91 113.44 1f6r h THR 33 Ca -0.00 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1f6r h THR 33 Cb 1.11 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1f6r h THR 33 CO 0.06 0.83 0.00 -1.54 -0.25 0.00 0.00 175.52 174.61 1f6r n SER 34 N -3.66 0.59 -1.35 5.36 3.41 0.05 -4.90 113.62 113.12 1f6r n SER 34 Ca -0.26 -1.14 -0.17 0.00 -0.26 0.00 0.00 58.87 57.05 1f6r n SER 34 Cb 1.03 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.92 1f6r n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6r n GLY 35 N -0.07 1.42 2.31 5.00 0.00 -0.41 -1.65 105.19 111.79 1f6r n GLY 35 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1f6r n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6r n TYR 36 N -2.70 -0.03 -3.19 1.61 0.53 -1.25 -4.82 117.16 107.32 1f6r n TYR 36 Ca -0.17 0.00 -0.44 0.00 -1.02 0.00 0.00 57.90 56.27 1f6r n TYR 36 Cb 0.56 -2.07 -0.07 0.00 -1.03 0.00 0.00 39.34 36.73 1f6r n TYR 36 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1f6r s ASP 37 N -2.86 6.23 0.06 7.72 2.15 -0.66 -2.77 116.67 126.54 1f6r s ASP 37 Ca 0.00 -0.83 0.12 0.00 0.43 0.00 0.00 52.55 52.28 1f6r s ASP 37 Cb 0.00 -2.28 0.53 0.00 -0.30 0.00 0.00 42.92 40.88 1f6r s ASP 37 CO 0.00 -0.82 1.38 0.35 -0.17 0.00 0.00 175.17 175.91 1f6r n THR 38 N 5.60 1.27 -0.54 1.71 -2.24 -1.09 -2.29 114.28 116.70 1f6r n THR 38 Ca -0.06 0.36 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 1f6r n THR 38 Cb 0.46 -1.23 0.18 0.00 -2.10 0.00 0.00 70.33 67.64 1f6r n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6r n GLN 39 N -1.66 2.83 -1.86 -0.78 6.02 -1.26 -4.17 117.38 116.48 1f6r n GLN 39 Ca 0.02 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.24 1f6r n GLN 39 Cb 0.12 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1f6r n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6r s ALA 40 N -1.83 3.71 -0.07 -1.58 0.00 -0.97 -4.81 121.76 116.21 1f6r s ALA 40 Ca 0.29 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 1f6r s ALA 40 Cb 0.21 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1f6r s ALA 40 CO 0.11 -0.89 0.14 -1.50 0.00 0.00 0.00 175.76 173.62 1f6r s ILE 41 N 0.07 -0.18 -0.24 0.00 2.07 -1.26 -0.89 121.20 120.78 1f6r s ILE 41 Ca 0.62 0.31 0.02 0.00 -1.41 0.00 0.00 60.65 60.20 1f6r s ILE 41 Cb -0.46 -0.25 0.05 0.00 0.13 0.00 0.00 42.46 41.93 1f6r s ILE 41 CO 0.45 0.13 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.80 1f6r s VAL 42 N 1.92 2.05 -0.20 4.00 1.01 -0.52 -4.95 120.40 123.72 1f6r s VAL 42 Ca -0.01 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 1f6r s VAL 42 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1f6r s VAL 42 CO -0.05 0.09 0.11 -1.58 0.00 0.00 0.00 175.10 173.66 1f6r s GLN 43 N 1.19 4.07 0.23 2.72 0.74 -1.26 -0.28 119.66 127.07 1f6r s GLN 43 Ca -0.05 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1f6r s GLN 43 Cb -0.18 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1f6r s GLN 43 CO -0.07 0.24 0.01 0.09 -0.55 0.00 0.00 175.29 175.01 1f6r n ASN 44 N 3.69 2.59 0.01 6.67 5.03 0.12 -4.98 115.26 128.38 1f6r n ASN 44 Ca -0.16 -2.00 -0.10 0.00 0.87 0.00 0.00 54.58 53.19 1f6r n ASN 44 Cb 0.52 0.15 -0.05 0.00 -1.02 0.00 0.00 39.78 39.38 1f6r n ASN 44 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 1f6r h ASN 45 N 0.54 -0.17 0.00 6.41 -0.00 -2.05 -3.33 115.58 116.98 1f6r h ASN 45 Ca -0.19 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 1f6r h ASN 45 Cb 0.58 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1f6r h ASN 45 CO 0.31 -0.08 -0.98 0.47 -0.00 0.00 0.00 177.43 177.16 1f6r n ASP 46 N -5.18 0.93 -3.95 1.15 8.00 -1.26 -5.04 116.55 111.20 1f6r n ASP 46 Ca -0.05 -0.61 -0.09 0.00 0.71 0.00 0.00 54.79 54.76 1f6r n ASP 46 Cb 0.11 1.20 -0.05 0.00 -0.02 0.00 0.00 41.12 42.36 1f6r n ASP 46 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1f6r s SER 47 N -2.78 -0.13 0.03 -2.24 1.04 -1.25 -4.92 113.70 103.46 1f6r s SER 47 Ca 0.02 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1f6r s SER 47 Cb 0.11 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1f6r s SER 47 CO 0.61 -1.15 -0.05 -0.89 0.98 0.00 0.00 173.24 172.74 1f6r s THR 48 N -3.99 0.32 -0.02 2.02 2.01 -1.26 0.12 115.64 114.84 1f6r s THR 48 Ca 0.19 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.23 1f6r s THR 48 Cb -0.01 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1f6r s THR 48 CO 0.07 -0.47 -0.25 -1.61 -0.69 0.00 0.00 174.62 171.66 1f6r s GLU 49 N -1.64 2.12 0.01 4.92 2.02 0.62 -2.17 118.70 124.58 1f6r s GLU 49 Ca -0.12 -0.91 0.08 0.00 0.02 0.00 0.00 54.97 54.04 1f6r s GLU 49 Cb -0.09 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1f6r s GLU 49 CO -0.01 0.53 -0.26 0.71 0.02 0.00 0.00 175.26 176.25 1f6r s TYR 50 N -0.55 2.29 0.00 1.61 2.02 -0.29 -1.43 117.35 121.00 1f6r s TYR 50 Ca 0.08 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1f6r s TYR 50 Cb -0.10 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1f6r s TYR 50 CO -0.00 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 1f6r n GLY 51 N 2.18 -0.96 0.30 0.71 0.00 -0.07 -1.80 105.19 105.56 1f6r n GLY 51 Ca -0.16 -1.09 0.10 0.00 0.00 0.00 0.00 46.02 44.87 1f6r n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6r h LEU 52 N 0.00 0.32 -1.08 0.99 5.85 -1.72 -1.81 115.31 117.87 1f6r h LEU 52 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1f6r h LEU 52 Cb 0.00 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1f6r h LEU 52 CO 0.00 0.04 -0.19 0.49 -0.34 0.00 0.00 178.44 178.44 1f6r n PHE 53 N -5.02 0.00 -3.66 1.25 3.72 -1.26 -3.93 117.46 108.55 1f6r n PHE 53 Ca 0.20 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.32 1f6r n PHE 53 Cb 0.57 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.12 1f6r n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f6r n GLN 54 N 0.18 -2.17 -2.65 -1.08 1.13 -0.68 -4.96 117.38 107.15 1f6r n GLN 54 Ca 0.13 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 1f6r n GLN 54 Cb 0.44 -4.54 -0.03 0.00 0.11 0.00 0.00 30.24 26.22 1f6r n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1f6r s ILE 55 N -3.55 4.69 0.34 5.09 1.01 -0.74 -4.47 121.20 123.57 1f6r s ILE 55 Ca 0.34 1.93 -0.06 0.00 0.00 0.00 0.00 60.65 62.87 1f6r s ILE 55 Cb -0.11 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1f6r s ILE 55 CO 0.84 0.15 0.63 0.54 0.00 0.00 0.00 174.94 177.10 1f6r s ASN 56 N 1.02 6.43 0.00 3.58 2.20 -1.26 -1.14 114.94 125.77 1f6r s ASN 56 Ca 0.53 0.81 0.07 0.00 -0.94 0.00 0.00 52.86 53.34 1f6r s ASN 56 Cb -0.23 -2.19 0.27 0.00 -2.00 0.00 0.00 41.25 37.11 1f6r s ASN 56 CO 0.28 -0.29 1.20 -0.46 -2.94 0.00 0.00 177.10 174.89 1f6r n ASN 57 N -1.23 0.72 0.06 3.54 6.94 -0.92 -2.91 115.26 121.45 1f6r n ASN 57 Ca -0.01 -1.92 -0.22 0.00 -0.02 0.00 0.00 54.58 52.41 1f6r n ASN 57 Cb 0.54 -0.08 -0.15 0.00 -2.36 0.00 0.00 39.78 37.73 1f6r n ASN 57 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1f6r h LYS 58 N 0.81 0.36 0.00 -3.83 1.79 -1.86 -3.42 116.57 110.43 1f6r h LYS 58 Ca 0.00 -0.62 -0.02 0.00 -2.18 0.00 0.00 60.65 57.84 1f6r h LYS 58 Cb 0.18 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1f6r h LYS 58 CO 0.00 1.29 -1.06 -0.89 -1.08 0.00 0.00 179.45 177.71 1f6r n ILE 59 N -3.78 0.06 -0.01 1.86 5.41 -1.24 -3.44 119.36 118.21 1f6r n ILE 59 Ca -0.22 -0.02 -0.03 0.00 1.00 0.00 0.00 62.75 63.48 1f6r n ILE 59 Cb 0.99 -0.56 -0.12 0.00 -0.71 0.00 0.00 39.64 39.25 1f6r n ILE 59 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1f6r n TRP 60 N -2.54 0.71 -4.09 1.39 7.02 -1.15 -1.35 117.44 117.43 1f6r n TRP 60 Ca -0.02 0.24 -0.10 0.00 -1.02 0.00 0.00 57.50 56.60 1f6r n TRP 60 Cb 0.52 -1.04 -0.09 0.00 -2.42 0.00 0.00 31.31 28.28 1f6r n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1f6r s LYS 62 N -4.06 3.86 0.33 0.00 2.20 -0.47 -4.51 119.74 117.10 1f6r s LYS 62 Ca 0.26 0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 1f6r s LYS 62 Cb 0.05 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 33.01 1f6r s LYS 62 CO 0.05 0.55 0.02 -0.51 -0.36 0.00 0.00 175.35 175.10 1f6r s ASP 63 N -0.43 2.72 0.26 1.43 1.01 -1.23 -1.96 116.67 118.47 1f6r s ASP 63 Ca 0.16 -1.33 0.18 0.00 0.71 0.00 0.00 52.55 52.26 1f6r s ASP 63 Cb -0.13 -0.16 0.07 0.00 1.01 0.00 0.00 42.92 43.71 1f6r s ASP 63 CO 0.05 -0.52 1.30 0.44 0.21 0.00 0.00 175.17 176.65 1f6r h ASP 64 N 2.09 0.00 -0.09 0.27 3.32 -1.98 -2.62 116.42 117.41 1f6r h ASP 64 Ca -0.41 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 1f6r h ASP 64 Cb 1.24 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1f6r h ASP 64 CO 0.71 0.35 -0.43 -0.61 -1.72 0.00 0.00 179.24 177.55 1f6r h GLN 65 N 0.00 0.44 -2.35 3.56 4.15 -1.98 -3.38 115.11 115.56 1f6r h GLN 65 Ca -0.04 -0.36 -0.59 0.00 0.77 0.00 0.00 58.65 58.43 1f6r h GLN 65 Cb 1.30 0.08 -0.41 0.00 0.21 0.00 0.00 27.48 28.66 1f6r h GLN 65 CO 0.04 1.00 -0.73 0.09 -1.93 0.00 0.00 178.83 177.29 1f6r n ASN 66 N -4.31 2.47 0.30 -0.69 3.02 -1.22 -4.92 115.26 109.92 1f6r n ASN 66 Ca -0.08 -3.14 0.19 0.00 -0.03 0.00 0.00 54.58 51.51 1f6r n ASN 66 Cb 0.56 -0.67 0.94 0.00 -0.61 0.00 0.00 39.78 40.00 1f6r n ASN 66 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1f6r h PRO 67 N 4.51 0.00 -0.75 3.52 0.13 -1.66 -1.72 132.00 136.03 1f6r h PRO 67 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1f6r h PRO 67 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1f6r h PRO 67 CO 0.69 0.03 0.03 0.72 -0.23 0.00 0.00 178.00 179.24 1f6r n HIS 68 N -3.26 1.39 -1.72 1.56 8.25 -1.26 -4.88 115.22 115.30 1f6r n HIS 68 Ca -0.02 -0.53 -0.38 0.00 -0.26 0.00 0.00 57.72 56.53 1f6r n HIS 68 Cb 0.18 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 30.94 1f6r n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6r n SER 69 N 0.34 2.30 0.28 0.41 2.88 -0.65 -4.84 113.62 114.34 1f6r n SER 69 Ca 0.19 0.94 0.19 0.00 -1.33 0.00 0.00 58.87 58.86 1f6r n SER 69 Cb 0.89 -1.54 0.91 0.00 -0.75 0.00 0.00 64.21 63.72 1f6r n SER 69 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f6r h SER 70 N 1.19 0.00 -6.86 -3.46 4.64 -1.71 -3.46 113.55 103.89 1f6r h SER 70 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 1f6r h SER 70 Cb 1.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.32 1f6r h SER 70 CO 0.56 0.00 -0.97 -3.20 -0.87 0.00 0.00 176.83 172.35 1f6r n ASN 71 N -2.87 -1.51 -0.30 4.97 5.15 -0.90 -4.85 115.26 114.95 1f6r n ASN 71 Ca -0.01 -1.22 0.06 0.00 -0.60 0.00 0.00 54.58 52.81 1f6r n ASN 71 Cb 0.14 -2.04 0.27 0.00 -0.53 0.00 0.00 39.78 37.62 1f6r n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1f6r h ILE 72 N -2.09 1.00 0.00 -1.44 1.08 -1.20 -0.76 117.51 114.10 1f6r h ILE 72 Ca -0.67 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1f6r h ILE 72 Cb 1.39 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1f6r h ILE 72 CO 0.61 0.17 0.00 0.00 -0.69 0.00 0.00 178.15 178.25 1f6r n ASN 74 N -1.25 -3.08 -3.72 0.00 4.05 -0.29 -4.97 115.26 105.99 1f6r n ASN 74 Ca 0.15 -0.90 -0.13 0.00 0.45 0.00 0.00 54.58 54.15 1f6r n ASN 74 Cb 0.22 -3.81 -0.07 0.00 1.23 0.00 0.00 39.78 37.34 1f6r n ASN 74 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1f6r s ILE 75 N -3.61 0.06 -0.03 -1.44 2.07 -1.26 -5.07 121.20 111.92 1f6r s ILE 75 Ca 0.22 -0.53 -0.26 0.00 -1.41 0.00 0.00 60.65 58.67 1f6r s ILE 75 Cb -0.07 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1f6r s ILE 75 CO 0.83 -0.29 0.79 -0.94 -1.91 0.00 0.00 174.94 173.43 1f6r s SER 76 N -1.77 7.13 0.32 4.50 1.04 -1.26 -1.36 113.70 122.30 1f6r s SER 76 Ca -0.08 1.37 0.09 0.00 0.48 0.00 0.00 55.95 57.81 1f6r s SER 76 Cb -0.02 -2.47 0.91 0.00 0.10 0.00 0.00 66.02 64.54 1f6r s SER 76 CO 0.00 -0.14 1.69 0.00 0.98 0.00 0.00 173.24 175.76 1f6r n ASP 78 N -5.02 0.34 0.19 0.00 3.85 -1.26 -0.81 116.55 113.84 1f6r n ASP 78 Ca 0.27 0.66 0.14 0.00 -0.71 0.00 0.00 54.79 55.15 1f6r n ASP 78 Cb 0.81 -0.70 0.63 0.00 -1.35 0.00 0.00 41.12 40.51 1f6r n ASP 78 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1f6r h LYS 79 N 0.00 0.00 -0.01 0.11 1.79 -1.69 -1.09 116.57 115.69 1f6r h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f6r h LYS 79 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1f6r h LYS 79 CO 0.00 0.00 -0.01 1.19 -1.08 0.00 0.00 179.45 179.55 1f6r n PHE 80 N -2.54 0.00 1.06 -1.35 0.99 0.01 -3.92 117.46 111.70 1f6r n PHE 80 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 1f6r n PHE 80 Cb 0.20 -0.02 0.12 0.00 -1.00 0.00 0.00 39.48 38.78 1f6r n PHE 80 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1f6r n LEU 81 N -0.46 1.12 0.00 4.37 4.77 -0.41 -3.93 117.00 122.45 1f6r n LEU 81 Ca 0.21 -0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 1f6r n LEU 81 Cb 0.24 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1f6r n LEU 81 CO 0.18 0.23 0.09 -0.90 -1.33 0.00 0.00 177.39 175.67 1f6r n ASP 82 N -0.96 0.17 0.10 -1.43 3.85 -1.25 -4.21 116.55 112.82 1f6r n ASP 82 Ca 0.08 -1.15 -0.03 0.00 -0.71 0.00 0.00 54.79 52.97 1f6r n ASP 82 Cb 0.37 -0.11 -0.01 0.00 -1.35 0.00 0.00 41.12 40.02 1f6r n ASP 82 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1f6r h ASP 83 N -0.12 0.00 -3.07 -1.12 3.32 -1.92 -3.43 116.42 110.07 1f6r h ASP 83 Ca -0.05 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 1f6r h ASP 83 Cb 0.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.64 1f6r h ASP 83 CO 0.05 0.79 0.85 -0.62 -1.72 0.00 0.00 179.24 178.59 1f6r s ASP 84 N -6.66 6.37 0.00 6.45 2.15 -1.26 -4.89 116.67 118.83 1f6r s ASP 84 Ca 0.01 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1f6r s ASP 84 Cb 0.10 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1f6r s ASP 84 CO 0.78 -1.45 0.47 0.18 -0.17 0.00 0.00 175.17 174.98 1f6r n LEU 85 N 8.24 0.52 -0.09 -1.34 4.77 -1.26 -4.19 117.00 123.65 1f6r n LEU 85 Ca 0.05 -0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 1f6r n LEU 85 Cb 0.48 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1f6r n LEU 85 CO 0.69 0.13 0.69 0.74 -1.33 0.00 0.00 177.39 178.31 1f6r h THR 86 N 0.00 1.29 -0.19 -5.08 2.02 -1.94 -1.75 112.91 107.26 1f6r h THR 86 Ca 0.00 -1.13 -0.18 0.00 0.77 0.00 0.00 66.41 65.87 1f6r h THR 86 Cb 0.26 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1f6r h THR 86 CO 0.00 0.35 -0.60 0.44 0.37 0.00 0.00 175.52 176.09 1f6r h ASP 87 N 0.26 0.70 -0.13 4.18 3.32 -1.91 -2.36 116.42 120.48 1f6r h ASP 87 Ca 0.06 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1f6r h ASP 87 Cb 0.57 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1f6r h ASP 87 CO 0.03 1.13 -0.15 0.44 -1.72 0.00 0.00 179.24 178.97 1f6r h ASP 88 N 0.46 -0.48 -0.82 6.45 5.19 -1.82 -1.01 116.42 124.38 1f6r h ASP 88 Ca -0.00 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1f6r h ASP 88 Cb 1.17 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.87 1f6r h ASP 88 CO 0.12 -0.20 0.37 0.40 -3.12 0.00 0.00 179.24 176.80 1f6r h ILE 89 N -0.19 1.26 -0.79 0.35 2.04 -1.23 0.27 117.51 119.22 1f6r h ILE 89 Ca 0.09 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1f6r h ILE 89 Cb 0.33 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1f6r h ILE 89 CO -0.24 0.32 0.51 -0.03 0.00 0.00 0.00 178.15 178.71 1f6r h MET 90 N 1.18 0.97 -0.06 2.37 1.85 -0.96 -0.50 114.93 119.78 1f6r h MET 90 Ca 0.28 -0.06 -0.24 0.00 -0.61 0.00 0.00 59.70 59.07 1f6r h MET 90 Cb 0.16 -0.22 0.01 0.00 0.43 0.00 0.00 31.60 31.98 1f6r h MET 90 CO -0.03 0.64 -0.92 0.00 -0.40 0.00 0.00 176.91 176.20 1f6r h VAL 92 N 0.42 1.11 -0.52 0.00 2.07 -0.04 -0.65 116.25 118.66 1f6r h VAL 92 Ca -0.09 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1f6r h VAL 92 Cb 1.56 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1f6r h VAL 92 CO 0.18 0.12 0.01 0.11 0.02 0.00 0.00 177.57 178.01 1f6r h LYS 93 N 0.66 0.86 -0.58 1.57 1.57 -0.95 0.21 116.57 119.91 1f6r h LYS 93 Ca 0.19 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1f6r h LYS 93 Cb -0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1f6r h LYS 93 CO -0.04 0.86 0.04 0.87 -0.57 0.00 0.00 179.45 180.60 1f6r h LYS 94 N 0.80 0.99 -0.61 3.15 1.79 -1.00 0.15 116.57 121.84 1f6r h LYS 94 Ca 0.15 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.24 1f6r h LYS 94 Cb 0.47 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1f6r h LYS 94 CO 0.02 0.97 0.04 0.82 -1.08 0.00 0.00 179.45 180.22 1f6r h ILE 95 N 0.88 1.26 -0.75 1.86 2.04 -0.82 0.14 117.51 122.13 1f6r h ILE 95 Ca 0.17 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1f6r h ILE 95 Cb 0.49 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1f6r h ILE 95 CO 0.02 0.40 0.24 -0.07 0.00 0.00 0.00 178.15 178.74 1f6r h LEU 96 N 0.96 1.09 -0.57 1.44 3.38 -0.65 0.43 115.31 121.40 1f6r h LEU 96 Ca 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1f6r h LEU 96 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1f6r h LEU 96 CO 0.02 1.01 0.20 0.44 0.09 0.00 0.00 178.44 180.20 1f6r h ASP 97 N 1.12 0.81 0.19 -0.43 3.32 -0.09 -2.24 116.42 119.10 1f6r h ASP 97 Ca 0.24 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 1f6r h ASP 97 Cb 0.31 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1f6r h ASP 97 CO -0.01 0.78 -1.57 0.11 -1.72 0.00 0.00 179.24 176.83 1f6r h LYS 98 N 0.79 0.40 0.00 3.56 1.79 -0.37 -3.43 116.57 119.30 1f6r h LYS 98 Ca 0.18 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1f6r h LYS 98 Cb 0.25 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1f6r h LYS 98 CO -0.01 1.33 -0.91 0.28 -1.08 0.00 0.00 179.45 179.06 1f6r n VAL 99 N -3.72 0.00 0.00 0.50 0.31 0.14 -5.08 118.33 110.49 1f6r n VAL 99 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1f6r n VAL 99 Cb 1.04 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1f6r n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6r n GLY 100 N 2.73 1.52 0.25 2.92 0.00 -0.68 -4.64 105.19 107.28 1f6r n GLY 100 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 44.06 1f6r n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f6r h ILE 101 N 0.00 1.11 0.00 -0.61 6.09 -1.88 -2.41 117.51 119.81 1f6r h ILE 101 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1f6r h ILE 101 Cb 0.00 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1f6r h ILE 101 CO 0.00 0.14 0.00 0.59 -3.07 0.00 0.00 178.15 175.81 1f6r n ASN 102 N -4.39 0.40 0.14 2.19 3.02 -1.26 -1.52 115.26 113.83 1f6r n ASN 102 Ca -0.01 -1.84 -0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1f6r n ASN 102 Cb 0.18 -0.20 0.26 0.00 -0.61 0.00 0.00 39.78 39.41 1f6r n ASN 102 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1f6r h TYR 103 N 0.03 0.12 -3.21 3.10 3.20 -1.69 -3.35 116.97 115.17 1f6r h TYR 103 Ca 0.00 -0.03 -0.67 0.00 3.14 0.00 0.00 58.73 61.17 1f6r h TYR 103 Cb 0.20 -0.03 -0.17 0.00 1.54 0.00 0.00 36.73 38.27 1f6r h TYR 103 CO 0.00 0.53 0.15 -1.58 -1.64 0.00 0.00 178.16 175.63 1f6r s TRP 104 N -4.04 2.99 0.44 -3.82 0.51 -0.58 -4.93 118.94 109.51 1f6r s TRP 104 Ca -0.03 -0.47 0.11 0.00 -2.12 0.00 0.00 56.10 53.59 1f6r s TRP 104 Cb 0.14 -3.67 0.99 0.00 -0.81 0.00 0.00 33.47 30.11 1f6r s TRP 104 CO 0.75 -1.12 2.04 -0.07 -0.51 0.00 0.00 176.95 178.05 1f6r h LEU 105 N 9.98 0.36 -1.97 2.99 3.38 -1.85 -1.64 115.31 126.56 1f6r h LEU 105 Ca -0.27 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1f6r h LEU 105 Cb 1.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1f6r h LEU 105 CO 1.00 0.24 -0.01 0.00 0.09 0.00 0.00 178.44 179.76 1f6r h ALA 106 N 1.76 1.97 0.69 1.53 0.00 -1.93 -3.13 119.26 120.16 1f6r h ALA 106 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1f6r h ALA 106 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f6r h ALA 106 CO -0.04 0.02 -0.37 1.25 0.00 0.00 0.00 179.25 180.11 1f6r h HIS 107 N 0.00 -0.96 0.19 0.00 -0.00 -1.61 -0.20 115.15 112.57 1f6r h HIS 107 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1f6r h HIS 107 Cb 0.03 0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 1f6r h HIS 107 CO 0.00 -0.58 -0.49 -0.22 -0.00 0.00 0.00 177.93 176.64 1f6r h LYS 108 N -0.98 -0.74 -0.35 5.26 3.64 -1.68 0.52 116.57 122.24 1f6r h LYS 108 Ca -0.09 0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1f6r h LYS 108 Cb 0.77 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1f6r h LYS 108 CO 0.13 -0.49 -0.34 0.00 -2.27 0.00 0.00 179.45 176.48 1f6r h ALA 109 N -0.47 0.74 0.00 5.00 0.00 -1.59 -3.38 119.26 119.56 1f6r h ALA 109 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1f6r h ALA 109 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1f6r h ALA 109 CO -0.24 0.66 -0.81 1.28 0.00 0.00 0.00 179.25 180.14 1f6r n LEU 110 N -4.06 0.08 -1.15 0.00 4.77 -0.10 -4.79 117.00 111.74 1f6r n LEU 110 Ca -0.01 -0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1f6r n LEU 110 Cb 0.50 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.73 1f6r n LEU 110 CO 0.46 0.02 0.25 0.00 -1.33 0.00 0.00 177.39 176.80 1f6r n SER 112 N -0.73 0.46 -3.43 0.00 7.64 -1.07 -4.65 113.62 111.84 1f6r n SER 112 Ca 0.21 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1f6r n SER 112 Cb 0.83 1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 65.38 1f6r n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1f6r s GLU 113 N -2.85 1.89 -1.05 1.43 -1.05 -1.26 -4.94 118.70 110.86 1f6r s GLU 113 Ca -0.08 -1.46 -0.02 0.00 -0.15 0.00 0.00 54.97 53.26 1f6r s GLU 113 Cb 0.09 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.27 1f6r s GLU 113 CO 0.78 -0.82 0.89 1.17 0.95 0.00 0.00 175.26 178.23 1f6r n LYS 114 N -0.49 -4.74 -0.59 -4.83 4.81 -1.26 -4.94 118.16 106.11 1f6r n LYS 114 Ca -0.03 0.78 0.09 0.00 -0.87 0.00 0.00 58.31 58.29 1f6r n LYS 114 Cb 0.61 -5.54 0.35 0.00 0.02 0.00 0.00 35.03 30.47 1f6r n LYS 114 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1f6r n LEU 115 N -3.60 4.66 -0.26 3.14 4.77 -1.26 -4.61 117.00 119.84 1f6r n LEU 115 Ca -0.20 -2.45 0.05 0.00 -0.03 0.00 0.00 56.01 53.38 1f6r n LEU 115 Cb 0.64 -0.56 0.19 0.00 -2.33 0.00 0.00 43.42 41.35 1f6r n LEU 115 CO 0.55 0.81 1.01 0.44 -1.33 0.00 0.00 177.39 178.87 1f6r h ASP 116 N 3.91 0.25 0.25 -1.43 3.45 -2.00 0.48 116.42 121.34 1f6r h ASP 116 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1f6r h ASP 116 Cb 1.42 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.29 1f6r h ASP 116 CO 0.22 0.09 0.00 0.00 -1.57 0.00 0.00 179.24 177.98 1f6r n GLN 117 N -5.02 0.05 -0.40 3.56 10.64 -1.26 -2.93 117.38 122.02 1f6r n GLN 117 Ca 0.14 0.29 0.08 0.00 -1.83 0.00 0.00 57.00 55.68 1f6r n GLN 117 Cb 0.42 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.55 1f6r n GLN 117 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1f6r n TRP 118 N -1.42 0.92 -3.61 2.61 7.02 0.16 -5.02 117.44 118.10 1f6r n TRP 118 Ca 0.03 -0.71 -0.26 0.00 -1.02 0.00 0.00 57.50 55.54 1f6r n TRP 118 Cb 0.09 -0.22 -0.02 0.00 -2.42 0.00 0.00 31.31 28.73 1f6r n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1f6r s LEU 119 N -2.10 4.17 -0.23 -0.99 1.43 -1.15 -4.38 118.68 115.42 1f6r s LEU 119 Ca 0.38 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1f6r s LEU 119 Cb 0.27 -3.20 0.07 0.00 0.03 0.00 0.00 46.19 43.36 1f6r s LEU 119 CO 0.14 -0.13 0.03 0.00 0.23 0.00 0.00 176.35 176.62 1f6r n GLU 121 N 4.92 1.55 0.00 0.00 1.02 -1.26 -5.13 120.64 121.73 1f6r n GLU 121 Ca -0.08 -0.55 0.07 0.00 -0.02 0.00 0.00 57.16 56.58 1f6r n GLU 121 Cb 0.45 -1.55 0.41 0.00 -0.02 0.00 0.00 31.44 30.73 1f6r n GLU 121 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67