#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 2.90 0.84 5.31 -1.52 -1.26 -1.79 119.66 124.13 1f6r s GLN 2 Ca 0.00 -2.60 -0.11 0.00 -1.95 0.00 0.00 55.36 50.70 1f6r s GLN 2 Cb 0.00 -3.93 0.09 0.00 -0.22 0.00 0.00 33.01 28.96 1f6r s GLN 2 CO 0.00 -1.21 1.09 -0.51 -0.25 0.00 0.00 175.29 174.41 1f6r s LEU 3 N -0.15 2.65 0.42 2.90 1.43 -0.96 -5.02 118.68 119.95 1f6r s LEU 3 Ca 0.18 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 1f6r s LEU 3 Cb -0.17 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1f6r s LEU 3 CO -0.05 -2.36 0.52 0.42 0.23 0.00 0.00 176.35 175.10 1f6r s THR 4 N -2.91 2.93 0.23 5.49 -4.23 -1.26 -4.82 115.64 111.08 1f6r s THR 4 Ca 0.62 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 1f6r s THR 4 Cb -0.18 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 70.85 1f6r s THR 4 CO 0.57 -0.00 1.83 0.50 -0.54 0.00 0.00 174.62 176.98 1f6r h LYS 5 N 0.75 0.85 -0.40 3.99 3.64 -1.98 -1.96 116.57 121.46 1f6r h LYS 5 Ca -0.41 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.80 1f6r h LYS 5 Cb 1.28 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1f6r h LYS 5 CO 0.49 0.56 -0.23 0.00 -2.27 0.00 0.00 179.45 178.00 1f6r h GLU 7 N 0.70 1.06 -0.34 0.00 5.08 -1.83 -2.68 114.58 116.57 1f6r h GLU 7 Ca 0.09 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1f6r h GLU 7 Cb 0.75 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1f6r h GLU 7 CO 0.06 0.91 -0.12 0.28 -1.00 0.00 0.00 179.01 179.14 1f6r h VAL 8 N 1.02 1.28 -0.53 3.13 2.07 -1.14 -1.97 116.25 120.11 1f6r h VAL 8 Ca 0.22 -1.21 0.12 0.00 0.82 0.00 0.00 66.70 66.65 1f6r h VAL 8 Cb 0.29 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1f6r h VAL 8 CO -0.01 0.40 0.37 0.15 0.02 0.00 0.00 177.57 178.50 1f6r h PHE 9 N 0.47 0.22 0.15 1.57 3.57 -0.98 -1.95 116.94 120.00 1f6r h PHE 9 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1f6r h PHE 9 Cb 0.64 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1f6r h PHE 9 CO 0.05 0.10 -0.07 0.00 -2.23 0.00 0.00 178.31 176.16 1f6r h ARG 10 N 0.20 -0.20 0.00 1.11 3.08 -1.22 -3.36 114.38 114.00 1f6r h ARG 10 Ca 0.25 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1f6r h ARG 10 Cb 0.72 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1f6r h ARG 10 CO -0.04 -0.09 0.00 0.93 -1.07 0.00 0.00 179.97 179.70 1f6r h GLU 11 N -1.05 0.00 -0.54 0.04 5.08 -1.18 -2.26 114.58 114.67 1f6r h GLU 11 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f6r h GLU 11 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1f6r h GLU 11 CO 0.03 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 1f6r n LEU 12 N -2.55 5.48 -0.12 1.33 4.77 -0.75 -4.57 117.00 120.59 1f6r n LEU 12 Ca -0.01 -2.93 0.17 0.00 -0.03 0.00 0.00 56.01 53.21 1f6r n LEU 12 Cb 0.13 -0.66 0.56 0.00 -2.33 0.00 0.00 43.42 41.12 1f6r n LEU 12 CO 0.17 0.64 1.20 0.11 -1.33 0.00 0.00 177.39 178.19 1f6r h LYS 13 N 3.71 0.29 0.00 3.23 1.79 -1.54 -1.50 116.57 122.54 1f6r h LYS 13 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1f6r h LYS 13 Cb 1.90 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1f6r h LYS 13 CO 0.45 0.19 0.00 -0.44 -1.08 0.00 0.00 179.45 178.57 1f6r h ASP 14 N 0.30 0.00 0.38 0.86 3.32 -1.86 -1.74 116.42 117.69 1f6r h ASP 14 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1f6r h ASP 14 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1f6r h ASP 14 CO -0.09 0.00 -0.30 0.18 -1.72 0.00 0.00 179.24 177.32 1f6r n LEU 15 N -3.07 0.71 -4.68 1.55 4.77 -0.56 -4.79 117.00 110.93 1f6r n LEU 15 Ca -0.01 -0.09 -0.53 0.00 -0.03 0.00 0.00 56.01 55.35 1f6r n LEU 15 Cb 0.21 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1f6r n LEU 15 CO 0.24 0.14 1.44 1.17 -1.33 0.00 0.00 177.39 179.05 1f6r n LYS 16 N -1.02 1.58 -0.31 3.23 4.81 -0.66 -1.23 118.16 124.56 1f6r n LYS 16 Ca 0.10 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1f6r n LYS 16 Cb 0.33 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.02 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 4.49 1.54 3.70 3.14 0.00 -0.12 -4.98 105.19 112.94 1f6r n GLY 17 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.62 2.54 -0.27 1.61 5.04 -0.37 -0.74 117.35 122.54 1f6r s TYR 18 Ca 0.00 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1f6r s TYR 18 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1f6r s TYR 18 CO 0.00 -3.98 0.00 0.41 -1.34 0.00 0.00 175.55 170.64 1f6r n GLY 19 N 3.98 0.43 2.00 8.97 0.00 -1.26 -2.17 105.19 117.15 1f6r n GLY 19 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.78 0.80 3.82 -0.02 0.00 0.08 -5.02 105.19 104.08 1f6r n GLY 20 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.03 5.15 0.71 1.61 0.11 -0.92 -4.87 120.40 119.16 1f6r s VAL 21 Ca 0.00 0.71 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 1f6r s VAL 21 Cb 0.00 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1f6r s VAL 21 CO 0.00 0.55 1.08 -0.94 -3.33 0.00 0.00 175.10 172.46 1f6r s SER 22 N -0.77 5.32 0.19 3.54 1.04 -1.26 -0.95 113.70 120.81 1f6r s SER 22 Ca 0.22 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1f6r s SER 22 Cb -0.15 -2.12 0.11 0.00 0.10 0.00 0.00 66.02 63.96 1f6r s SER 22 CO 0.11 -1.44 1.77 -0.07 0.98 0.00 0.00 173.24 174.59 1f6r h LEU 23 N -0.72 0.90 -0.71 2.42 3.38 -1.94 -2.78 115.31 115.85 1f6r h LEU 23 Ca -0.45 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.43 1f6r h LEU 23 Cb 1.24 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1f6r h LEU 23 CO 0.61 0.78 0.42 1.55 0.09 0.00 0.00 178.44 181.90 1f6r h PRO 24 N 0.95 0.76 -0.75 1.13 0.13 -1.92 -0.38 132.00 131.91 1f6r h PRO 24 Ca 0.23 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.40 1f6r h PRO 24 Cb 0.13 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 31.02 1f6r h PRO 24 CO -0.03 0.50 0.42 0.93 -0.23 0.00 0.00 178.00 179.59 1f6r h GLU 25 N 0.78 0.70 -0.46 0.86 5.08 -1.79 0.17 114.58 119.93 1f6r h GLU 25 Ca 0.31 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1f6r h GLU 25 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1f6r h GLU 25 CO -0.16 0.46 0.08 -1.49 -1.00 0.00 0.00 179.01 176.90 1f6r h TRP 26 N 0.72 0.80 -0.47 4.33 4.06 -1.15 0.52 115.95 124.77 1f6r h TRP 26 Ca 0.35 -0.11 -0.04 0.00 2.06 0.00 0.00 58.89 61.15 1f6r h TRP 26 Cb 0.30 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1f6r h TRP 26 CO -0.08 0.75 0.14 0.28 -3.56 0.00 0.00 178.44 175.98 1f6r h VAL 27 N 0.62 1.23 -0.30 1.49 2.07 -0.48 -0.89 116.25 119.99 1f6r h VAL 27 Ca 0.14 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1f6r h VAL 27 Cb 0.38 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1f6r h VAL 27 CO 0.01 0.28 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1f6r h THR 29 N 0.34 1.10 -0.00 0.00 2.02 -0.70 -2.39 112.91 113.28 1f6r h THR 29 Ca 0.10 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 1f6r h THR 29 Cb 0.16 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1f6r h THR 29 CO -0.01 0.10 -0.38 0.71 0.37 0.00 0.00 175.52 176.31 1f6r h THR 30 N 0.41 1.27 0.29 3.16 1.35 -1.10 -1.11 112.91 117.19 1f6r h THR 30 Ca 0.11 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.66 1f6r h THR 30 Cb -0.01 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1f6r h THR 30 CO -0.02 0.37 -0.14 0.15 -0.25 0.00 0.00 175.52 175.63 1f6r h PHE 31 N 0.00 -0.36 0.00 4.73 3.57 -0.87 0.68 116.94 124.68 1f6r h PHE 31 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1f6r h PHE 31 Cb 0.67 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1f6r h PHE 31 CO 0.00 -0.21 0.00 0.72 -2.23 0.00 0.00 178.31 176.59 1f6r n HIS 32 N -5.25 0.65 -0.06 0.41 8.25 -0.94 -0.38 115.22 117.90 1f6r n HIS 32 Ca -0.10 0.24 -0.22 0.00 -0.26 0.00 0.00 57.72 57.39 1f6r n HIS 32 Cb 0.18 -0.89 -0.13 0.00 1.12 0.00 0.00 29.99 30.27 1f6r n HIS 32 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1f6r h THR 33 N 0.00 0.82 0.00 1.59 2.02 -0.49 -3.44 112.91 113.41 1f6r h THR 33 Ca 0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1f6r h THR 33 Cb 0.41 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1f6r h THR 33 CO 0.00 0.54 0.00 -1.54 0.37 0.00 0.00 175.52 174.89 1f6r n SER 34 N -4.07 0.24 -1.40 4.18 3.41 0.17 -4.89 113.62 111.25 1f6r n SER 34 Ca -0.32 -1.08 -0.17 0.00 -0.26 0.00 0.00 58.87 57.04 1f6r n SER 34 Cb 0.83 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.04 1.43 2.14 5.00 0.00 0.48 -1.68 105.19 112.53 1f6r n GLY 35 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -3.04 1.61 0.53 -1.24 -4.86 117.16 107.45 1f6r n TYR 36 Ca -0.18 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.27 1f6r n TYR 36 Cb 0.58 -0.92 -0.06 0.00 -1.03 0.00 0.00 39.34 37.90 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 -2.72 6.33 0.01 7.72 -1.08 -0.68 -2.25 116.67 124.00 1f6r s ASP 37 Ca 0.00 -0.40 0.14 0.00 -0.52 0.00 0.00 52.55 51.77 1f6r s ASP 37 Cb 0.00 -2.35 0.59 0.00 -1.46 0.00 0.00 42.92 39.70 1f6r s ASP 37 CO 0.00 -0.90 1.44 0.35 0.52 0.00 0.00 175.17 176.58 1f6r n THR 38 N 5.93 1.07 -0.68 1.71 -2.24 -0.74 -2.14 114.28 117.18 1f6r n THR 38 Ca -0.01 0.27 0.07 0.00 -2.27 0.00 0.00 64.05 62.11 1f6r n THR 38 Cb 0.47 -1.05 0.22 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.54 2.95 -1.83 -0.78 6.02 -1.26 -4.11 117.38 116.83 1f6r n GLN 39 Ca 0.03 -2.55 -0.42 0.00 -0.01 0.00 0.00 57.00 54.05 1f6r n GLN 39 Cb 0.16 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 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 -2.12 3.85 -0.07 -1.58 0.00 -0.91 -4.79 121.76 116.13 1f6r s ALA 40 Ca 0.35 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.75 1f6r s ALA 40 Cb 0.26 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1f6r s ALA 40 CO 0.12 -0.86 0.18 -1.50 0.00 0.00 0.00 175.76 173.70 1f6r s ILE 41 N 1.05 -0.02 -0.22 0.00 2.07 -1.26 0.63 121.20 123.47 1f6r s ILE 41 Ca 0.72 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.98 1f6r s ILE 41 Cb -0.47 -0.27 0.07 0.00 0.13 0.00 0.00 42.46 41.92 1f6r s ILE 41 CO 0.33 0.03 0.09 -0.69 -1.91 0.00 0.00 174.94 172.78 1f6r s VAL 42 N 0.52 0.15 -0.19 4.00 1.01 -0.28 -4.96 120.40 120.65 1f6r s VAL 42 Ca -0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1f6r s VAL 42 Cb -0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1f6r s VAL 42 CO -0.03 -0.40 0.37 -1.58 0.00 0.00 0.00 175.10 173.46 1f6r s GLN 43 N 2.02 4.20 0.37 2.72 0.74 -1.26 -1.17 119.66 127.29 1f6r s GLN 43 Ca 0.03 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.63 1f6r s GLN 43 Cb -0.16 -3.50 0.01 0.00 1.10 0.00 0.00 33.01 30.46 1f6r s GLN 43 CO -0.17 0.05 0.11 0.09 -0.55 0.00 0.00 175.29 174.83 1f6r n ASN 44 N 4.18 2.70 -0.38 6.67 5.03 0.10 -4.99 115.26 128.58 1f6r n ASN 44 Ca -0.09 -2.49 -0.02 0.00 0.87 0.00 0.00 54.58 52.85 1f6r n ASN 44 Cb 0.51 0.14 0.11 0.00 -1.02 0.00 0.00 39.78 39.52 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 0.71 1.16 0.00 6.41 -1.24 -2.05 -3.33 115.58 117.23 1f6r h ASN 45 Ca -0.28 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.66 1f6r h ASN 45 Cb 0.91 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 1f6r h ASN 45 CO 0.45 0.84 -1.66 0.47 -1.29 0.00 0.00 177.43 176.24 1f6r n ASP 46 N -4.38 1.91 -3.69 1.15 9.92 -1.26 -5.06 116.55 115.14 1f6r n ASP 46 Ca 0.12 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.23 1f6r n ASP 46 Cb 0.01 1.46 -0.08 0.00 -0.64 0.00 0.00 41.12 41.88 1f6r n ASP 46 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1f6r s SER 47 N -3.75 0.81 -0.10 -2.24 1.04 -1.25 -4.91 113.70 103.30 1f6r s SER 47 Ca -0.05 -1.49 -0.07 0.00 0.48 0.00 0.00 55.95 54.82 1f6r s SER 47 Cb 0.08 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1f6r s SER 47 CO 0.55 -1.04 0.25 -0.89 0.98 0.00 0.00 173.24 173.09 1f6r s THR 48 N -3.67 -0.02 -0.13 2.02 2.01 -1.26 0.03 115.64 114.62 1f6r s THR 48 Ca 0.36 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 1f6r s THR 48 Cb 0.03 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1f6r s THR 48 CO 0.19 0.03 0.02 -1.61 -0.69 0.00 0.00 174.62 172.56 1f6r s GLU 49 N 0.70 3.42 -0.02 4.92 0.41 -0.31 -2.17 118.70 125.65 1f6r s GLU 49 Ca -0.05 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.18 1f6r s GLU 49 Cb -0.06 -2.97 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 1f6r s GLU 49 CO -0.04 0.51 -0.14 0.71 -0.49 0.00 0.00 175.26 175.81 1f6r s TYR 50 N -0.34 2.68 0.00 1.61 2.02 0.31 -1.13 117.35 122.51 1f6r s TYR 50 Ca 0.08 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1f6r s TYR 50 Cb -0.12 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1f6r s TYR 50 CO 0.02 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 1f6r n GLY 51 N 1.99 -0.19 0.34 0.71 0.00 0.21 -0.75 105.19 107.49 1f6r n GLY 51 Ca -0.17 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 0.62 -1.59 0.99 5.85 -1.71 -0.30 115.31 119.16 1f6r h LEU 52 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1f6r h LEU 52 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1f6r h LEU 52 CO 0.00 0.12 -0.02 0.49 -0.34 0.00 0.00 178.44 178.69 1f6r n PHE 53 N -4.90 0.00 -3.55 1.25 3.72 -1.26 -4.04 117.46 108.68 1f6r n PHE 53 Ca 0.25 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 1f6r n PHE 53 Cb 0.68 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.93 -1.33 -2.97 -1.08 1.13 -0.12 -4.91 117.38 109.02 1f6r n GLN 54 Ca 0.15 0.78 -0.40 0.00 -1.94 0.00 0.00 57.00 55.59 1f6r n GLN 54 Cb 0.52 -4.09 -0.04 0.00 0.11 0.00 0.00 30.24 26.74 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 -3.24 5.00 0.24 5.09 1.01 0.07 -4.48 121.20 124.89 1f6r s ILE 55 Ca 0.25 1.57 -0.10 0.00 0.00 0.00 0.00 60.65 62.37 1f6r s ILE 55 Cb -0.09 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 1f6r s ILE 55 CO 0.84 0.21 0.56 0.54 0.00 0.00 0.00 174.94 177.10 1f6r s ASN 56 N 0.87 6.63 0.00 3.58 2.20 -1.26 -0.53 114.94 126.43 1f6r s ASN 56 Ca 0.40 0.94 0.24 0.00 -0.94 0.00 0.00 52.86 53.50 1f6r s ASN 56 Cb -0.18 -2.23 1.38 0.00 -2.00 0.00 0.00 41.25 38.21 1f6r s ASN 56 CO 0.19 -0.09 1.90 -0.46 -2.94 0.00 0.00 177.10 175.70 1f6r n ASN 57 N -0.19 0.21 0.03 3.54 6.94 -0.92 -2.82 115.26 122.05 1f6r n ASN 57 Ca 0.01 -1.29 -0.09 0.00 -0.02 0.00 0.00 54.58 53.18 1f6r n ASN 57 Cb 0.52 -0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.81 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 0.31 0.04 0.00 -3.83 1.79 -1.87 -3.43 116.57 109.58 1f6r h LYS 58 Ca 0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1f6r h LYS 58 Cb 0.07 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1f6r h LYS 58 CO 0.00 0.82 -0.96 -0.89 -1.08 0.00 0.00 179.45 177.34 1f6r n ILE 59 N -3.25 0.00 0.07 1.86 5.41 -1.24 -3.32 119.36 118.89 1f6r n ILE 59 Ca -0.10 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.47 1f6r n ILE 59 Cb 1.00 -1.06 -0.14 0.00 -0.71 0.00 0.00 39.64 38.73 1f6r n ILE 59 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1f6r h TRP 60 N 0.00 0.52 -3.87 1.39 4.06 -1.81 -1.35 115.95 114.88 1f6r h TRP 60 Ca 0.00 -0.38 -0.31 0.00 2.06 0.00 0.00 58.89 60.26 1f6r h TRP 60 Cb 0.96 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.95 1f6r h TRP 60 CO 0.00 1.44 -0.63 0.00 -3.56 0.00 0.00 178.44 175.69 1f6r s LYS 62 N -4.01 4.31 0.40 0.00 2.20 0.50 -4.48 119.74 118.66 1f6r s LYS 62 Ca 0.33 0.59 0.06 0.00 -0.36 0.00 0.00 55.97 56.59 1f6r s LYS 62 Cb 0.07 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1f6r s LYS 62 CO 0.10 -0.00 0.02 0.34 -0.36 0.00 0.00 175.35 175.44 1f6r s ASP 63 N 0.88 3.68 0.08 1.43 3.68 -1.22 -2.26 116.67 122.93 1f6r s ASP 63 Ca 0.29 -1.39 0.14 0.00 2.13 0.00 0.00 52.55 53.72 1f6r s ASP 63 Cb -0.16 -0.29 -0.14 0.00 -1.45 0.00 0.00 42.92 40.89 1f6r s ASP 63 CO 0.12 -0.50 0.94 -0.78 0.13 0.00 0.00 175.17 175.08 1f6r h ASP 64 N 1.79 0.00 0.30 -0.34 3.58 -1.98 -2.98 116.42 116.80 1f6r h ASP 64 Ca -0.43 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.74 1f6r h ASP 64 Cb 1.25 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.31 1f6r h ASP 64 CO 0.79 0.72 -1.16 -0.61 -2.88 0.00 0.00 179.24 176.10 1f6r h GLN 65 N 0.00 0.48 -2.59 0.28 4.15 -1.97 -3.40 115.11 112.06 1f6r h GLN 65 Ca -0.15 -0.64 -0.60 0.00 0.77 0.00 0.00 58.65 58.04 1f6r h GLN 65 Cb 1.68 0.21 -0.40 0.00 0.21 0.00 0.00 27.48 29.18 1f6r h GLN 65 CO 0.07 1.26 -0.82 0.09 -1.93 0.00 0.00 178.83 177.50 1f6r n ASN 66 N -3.72 1.03 0.13 -0.69 3.02 -1.23 -4.94 115.26 108.85 1f6r n ASN 66 Ca -0.10 -2.75 0.12 0.00 -0.03 0.00 0.00 54.58 51.81 1f6r n ASN 66 Cb 0.95 -0.64 0.49 0.00 -0.61 0.00 0.00 39.78 39.97 1f6r n ASN 66 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1f6r n PRO 67 N 2.33 0.19 -0.54 3.52 -0.04 -1.13 -2.21 135.00 137.12 1f6r n PRO 67 Ca 0.26 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1f6r n PRO 67 Cb 0.43 -1.86 0.33 0.00 -0.04 0.00 0.00 33.50 32.35 1f6r n PRO 67 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1f6r n HIS 68 N -2.22 1.31 -1.69 0.54 8.25 -1.26 -4.93 115.22 115.23 1f6r n HIS 68 Ca 0.02 -0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 56.55 1f6r n HIS 68 Cb 0.22 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 1.08 2.20 0.14 0.41 2.88 -0.94 -4.81 113.62 114.59 1f6r n SER 69 Ca 0.23 1.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.89 1f6r n SER 69 Cb 0.79 -1.50 0.53 0.00 -0.75 0.00 0.00 64.21 63.29 1f6r n SER 69 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f6r n SER 70 N -0.37 0.57 -4.25 -3.46 3.41 -1.21 -4.84 113.62 103.48 1f6r n SER 70 Ca 0.09 0.72 -0.31 0.00 -0.26 0.00 0.00 58.87 59.11 1f6r n SER 70 Cb 0.43 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1f6r n SER 70 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1f6r n ASN 71 N -2.21 0.04 -0.33 4.04 5.15 -0.87 -4.82 115.26 116.26 1f6r n ASN 71 Ca -0.00 -1.19 0.25 0.00 -0.60 0.00 0.00 54.58 53.04 1f6r n ASN 71 Cb 0.10 -2.04 0.54 0.00 -0.53 0.00 0.00 39.78 37.85 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 -1.68 0.49 -0.27 -1.44 1.08 -1.18 0.15 117.51 114.66 1f6r h ILE 72 Ca -0.64 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1f6r h ILE 72 Cb 1.39 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1f6r h ILE 72 CO 0.71 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 178.23 1f6r n ASN 74 N 0.48 -4.44 -3.54 0.00 3.02 0.52 -4.95 115.26 106.35 1f6r n ASN 74 Ca 0.14 -1.18 -0.17 0.00 -0.03 0.00 0.00 54.58 53.34 1f6r n ASN 74 Cb 0.33 -1.79 -0.06 0.00 -0.61 0.00 0.00 39.78 37.65 1f6r n ASN 74 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1f6r s ILE 75 N -3.37 0.00 0.14 2.41 2.07 -1.26 -5.05 121.20 116.14 1f6r s ILE 75 Ca 0.35 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.32 1f6r s ILE 75 Cb -0.19 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.33 1f6r s ILE 75 CO 0.94 0.00 0.87 -0.94 -1.91 0.00 0.00 174.94 173.90 1f6r s SER 76 N -0.93 7.44 0.42 4.50 1.04 -1.26 -0.37 113.70 124.54 1f6r s SER 76 Ca -0.09 1.71 0.19 0.00 0.48 0.00 0.00 55.95 58.24 1f6r s SER 76 Cb -0.01 -2.54 1.11 0.00 0.10 0.00 0.00 66.02 64.68 1f6r s SER 76 CO 0.08 0.07 1.85 0.00 0.98 0.00 0.00 173.24 176.22 1f6r h ASP 78 N 0.38 0.11 0.01 0.00 2.03 -1.93 0.58 116.42 117.61 1f6r h ASP 78 Ca 0.48 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1f6r h ASP 78 Cb 1.24 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1f6r h ASP 78 CO -0.18 0.06 0.00 0.29 -1.03 0.00 0.00 179.24 178.38 1f6r n LYS 79 N -4.41 0.04 0.00 4.15 4.76 -0.93 -0.27 118.16 121.50 1f6r n LYS 79 Ca 0.11 0.54 0.13 0.00 -2.87 0.00 0.00 58.31 56.22 1f6r n LYS 79 Cb 0.57 -1.64 0.44 0.00 -1.84 0.00 0.00 35.03 32.56 1f6r n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1f6r n PHE 80 N -1.72 0.00 0.73 2.13 0.99 0.20 -3.75 117.46 116.04 1f6r n PHE 80 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 1f6r n PHE 80 Cb 0.01 -0.11 0.11 0.00 -1.00 0.00 0.00 39.48 38.49 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 -0.54 2.80 -4.73 4.37 4.77 0.63 -4.04 117.00 120.26 1f6r n LEU 81 Ca 0.14 -1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 54.73 1f6r n LEU 81 Cb 0.34 -0.04 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 1f6r n LEU 81 CO 0.24 0.51 0.68 1.51 -1.33 0.00 0.00 177.39 179.00 1f6r s ASP 82 N -1.63 2.91 0.10 -1.43 1.47 -1.25 -4.58 116.67 112.27 1f6r s ASP 82 Ca 0.26 1.01 0.25 0.00 1.18 0.00 0.00 52.55 55.25 1f6r s ASP 82 Cb 0.18 -1.59 0.58 0.00 -0.34 0.00 0.00 42.92 41.75 1f6r s ASP 82 CO 0.26 -2.93 1.51 0.47 0.68 0.00 0.00 175.17 175.16 1f6r n ASP 83 N -4.02 0.60 -4.58 2.11 8.00 -1.26 -4.73 116.55 112.67 1f6r n ASP 83 Ca 0.06 0.19 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 1f6r n ASP 83 Cb 0.58 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1f6r n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6r s ASP 84 N -3.90 6.56 -0.05 -2.24 -1.08 -1.26 -4.92 116.67 109.78 1f6r s ASP 84 Ca 0.09 0.27 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 1f6r s ASP 84 Cb 0.15 -2.46 0.19 0.00 -1.46 0.00 0.00 42.92 39.33 1f6r s ASP 84 CO 0.67 -1.02 0.86 0.18 0.52 0.00 0.00 175.17 176.38 1f6r n LEU 85 N 7.13 1.90 -0.10 -1.34 4.77 -1.26 -4.20 117.00 123.89 1f6r n LEU 85 Ca 0.07 -0.96 -0.13 0.00 -0.03 0.00 0.00 56.01 54.96 1f6r n LEU 85 Cb 0.48 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1f6r n LEU 85 CO 0.63 0.32 0.59 0.74 -1.33 0.00 0.00 177.39 178.34 1f6r h THR 86 N 0.96 1.29 -0.32 -5.08 2.02 -1.94 -2.00 112.91 107.84 1f6r h THR 86 Ca 0.00 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 1f6r h THR 86 Cb 0.74 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1f6r h THR 86 CO 0.10 0.46 -0.05 0.44 0.37 0.00 0.00 175.52 176.84 1f6r h ASP 87 N 0.51 0.60 -0.51 4.18 5.19 -1.89 -2.02 116.42 122.48 1f6r h ASP 87 Ca 0.06 -0.34 0.09 0.00 -0.62 0.00 0.00 57.03 56.21 1f6r h ASP 87 Cb 0.84 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.11 1f6r h ASP 87 CO 0.07 0.80 0.10 0.44 -3.12 0.00 0.00 179.24 177.54 1f6r h ASP 88 N 0.39 0.00 -0.61 6.45 5.19 -1.81 -1.60 116.42 124.43 1f6r h ASP 88 Ca 0.09 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1f6r h ASP 88 Cb 0.52 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.13 1f6r h ASP 88 CO 0.03 0.03 0.17 0.40 -3.12 0.00 0.00 179.24 176.74 1f6r h ILE 89 N 0.24 1.25 -0.46 0.35 2.04 -1.23 -0.91 117.51 118.79 1f6r h ILE 89 Ca 0.26 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1f6r h ILE 89 Cb 0.34 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1f6r h ILE 89 CO -0.33 0.33 0.26 -0.03 0.00 0.00 0.00 178.15 178.38 1f6r h MET 90 N 0.89 0.50 -0.48 2.37 4.05 -0.77 -2.49 114.93 118.99 1f6r h MET 90 Ca 0.19 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 1f6r h MET 90 Cb 0.33 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1f6r h MET 90 CO -0.00 0.33 -0.21 0.00 0.23 0.00 0.00 176.91 177.25 1f6r h VAL 92 N 0.84 1.10 -0.37 0.00 2.07 -0.92 -0.92 116.25 118.06 1f6r h VAL 92 Ca 0.11 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1f6r h VAL 92 Cb 0.79 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1f6r h VAL 92 CO 0.07 0.12 -0.09 0.11 0.02 0.00 0.00 177.57 177.80 1f6r h LYS 93 N 0.40 0.71 -0.98 1.57 1.57 -1.28 0.00 116.57 118.56 1f6r h LYS 93 Ca 0.10 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1f6r h LYS 93 Cb 0.05 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1f6r h LYS 93 CO -0.01 0.86 0.64 0.87 -0.57 0.00 0.00 179.45 181.24 1f6r h LYS 94 N 0.50 1.21 -0.49 3.15 1.79 -1.13 0.31 116.57 121.91 1f6r h LYS 94 Ca 0.09 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1f6r h LYS 94 Cb 0.60 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1f6r h LYS 94 CO 0.04 0.80 0.04 0.82 -1.08 0.00 0.00 179.45 180.06 1f6r h ILE 95 N 1.24 1.26 -0.65 1.86 2.04 -0.83 0.25 117.51 122.68 1f6r h ILE 95 Ca 0.39 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1f6r h ILE 95 Cb -0.01 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1f6r h ILE 95 CO -0.12 0.36 0.27 -0.07 0.00 0.00 0.00 178.15 178.59 1f6r h LEU 96 N 0.71 0.85 -0.03 1.44 -0.00 -0.18 0.52 115.31 118.63 1f6r h LEU 96 Ca 0.14 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1f6r h LEU 96 Cb 0.46 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1f6r h LEU 96 CO 0.02 0.75 0.00 0.44 -0.00 0.00 0.00 178.44 179.65 1f6r h ASP 97 N 0.93 0.04 0.46 -0.43 3.32 0.28 -2.47 116.42 118.56 1f6r h ASP 97 Ca 0.22 -0.29 -0.26 0.00 0.02 0.00 0.00 57.03 56.73 1f6r h ASP 97 Cb 0.15 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1f6r h ASP 97 CO -0.02 0.32 -1.12 0.11 -1.72 0.00 0.00 179.24 176.80 1f6r h LYS 98 N -0.24 0.36 0.00 3.56 1.79 -0.33 -3.43 116.57 118.28 1f6r h LYS 98 Ca 0.01 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1f6r h LYS 98 Cb 0.30 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1f6r h LYS 98 CO 0.00 1.19 -0.84 0.28 -1.08 0.00 0.00 179.45 179.00 1f6r n VAL 99 N -3.65 0.00 0.00 0.50 0.31 0.17 -5.08 118.33 110.58 1f6r n VAL 99 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1f6r n VAL 99 Cb 0.94 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 2.88 3.06 0.24 2.92 0.00 -0.57 -4.78 105.19 108.94 1f6r n GLY 100 Ca 0.00 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 0.17 1.08 0.00 -0.61 6.09 -1.87 -2.24 117.51 120.13 1f6r h ILE 101 Ca 0.00 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1f6r h ILE 101 Cb 0.00 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1f6r h ILE 101 CO 0.00 0.11 0.00 0.59 -3.07 0.00 0.00 178.15 175.78 1f6r n ASN 102 N -4.41 0.20 0.15 2.19 3.02 -1.26 -2.10 115.26 113.05 1f6r n ASN 102 Ca -0.02 -1.77 0.01 0.00 -0.03 0.00 0.00 54.58 52.77 1f6r n ASN 102 Cb 0.18 -0.10 0.31 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.10 -3.44 3.10 3.20 -1.70 -3.35 116.97 114.89 1f6r h TYR 103 Ca 0.00 -0.02 -0.66 0.00 3.14 0.00 0.00 58.73 61.19 1f6r h TYR 103 Cb 0.10 -0.02 -0.16 0.00 1.54 0.00 0.00 36.73 38.19 1f6r h TYR 103 CO 0.00 0.46 0.16 -1.58 -1.64 0.00 0.00 178.16 175.56 1f6r s TRP 104 N -4.18 3.03 0.54 -3.82 0.51 -0.89 -4.91 118.94 109.20 1f6r s TRP 104 Ca -0.03 -0.19 0.19 0.00 -2.12 0.00 0.00 56.10 53.95 1f6r s TRP 104 Cb 0.14 -3.50 1.40 0.00 -0.81 0.00 0.00 33.47 30.71 1f6r s TRP 104 CO 0.74 -0.98 2.17 -0.07 -0.51 0.00 0.00 176.95 178.30 1f6r h LEU 105 N 9.86 0.00 -1.63 2.99 3.38 -1.87 -0.94 115.31 127.10 1f6r h LEU 105 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1f6r h LEU 105 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1f6r h LEU 105 CO 0.94 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 179.28 1f6r h ALA 106 N 1.99 1.68 0.09 1.53 0.00 -1.93 -2.07 119.26 120.55 1f6r h ALA 106 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1f6r h ALA 106 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f6r h ALA 106 CO -0.00 0.23 -0.04 1.25 0.00 0.00 0.00 179.25 180.69 1f6r h HIS 107 N 0.00 -0.11 -0.64 0.00 -0.00 -1.48 0.35 115.15 113.27 1f6r h HIS 107 Ca -0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1f6r h HIS 107 Cb 0.33 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1f6r h HIS 107 CO 0.00 0.12 0.06 -0.22 -0.00 0.00 0.00 177.93 177.89 1f6r h LYS 108 N -0.33 1.09 0.06 5.26 3.64 -1.58 -1.62 116.57 123.09 1f6r h LYS 108 Ca -0.01 -0.32 -0.23 0.00 -1.27 0.00 0.00 60.65 58.82 1f6r h LYS 108 Cb 0.28 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1f6r h LYS 108 CO 0.02 1.03 -1.07 0.00 -2.27 0.00 0.00 179.45 177.16 1f6r h ALA 109 N 1.02 0.28 0.00 5.00 0.00 -1.28 -3.42 119.26 120.87 1f6r h ALA 109 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1f6r h ALA 109 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f6r h ALA 109 CO 0.02 1.04 -0.45 1.28 0.00 0.00 0.00 179.25 181.15 1f6r n LEU 110 N -3.51 0.00 -2.07 0.00 4.77 0.12 -4.86 117.00 111.45 1f6r n LEU 110 Ca -0.05 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.53 1f6r n LEU 110 Cb 0.94 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1f6r n LEU 110 CO 0.50 0.00 0.26 0.00 -1.33 0.00 0.00 177.39 176.82 1f6r n SER 112 N -0.71 2.18 -3.58 0.00 7.64 -1.20 -4.73 113.62 113.23 1f6r n SER 112 Ca 0.45 -1.95 0.03 0.00 1.01 0.00 0.00 58.87 58.40 1f6r n SER 112 Cb 0.93 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 -0.96 0.16 -1.57 1.43 -1.05 -1.26 -4.95 118.70 110.49 1f6r s GLU 113 Ca 0.06 -0.09 -0.04 0.00 -0.15 0.00 0.00 54.97 54.75 1f6r s GLU 113 Cb 0.03 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.79 1f6r s GLU 113 CO 0.04 -0.08 0.43 1.63 0.95 0.00 0.00 175.26 178.23 1f6r n LYS 114 N -0.49 -3.92 0.12 -4.83 4.01 -1.26 -4.89 118.16 106.89 1f6r n LYS 114 Ca -0.09 0.89 -0.03 0.00 -0.51 0.00 0.00 58.31 58.57 1f6r n LYS 114 Cb 0.63 -5.69 0.08 0.00 -0.51 0.00 0.00 35.03 29.55 1f6r n LYS 114 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1f6r h LEU 115 N -0.97 0.00 -1.62 -0.35 3.38 -1.94 -3.30 115.31 110.51 1f6r h LEU 115 Ca -0.51 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1f6r h LEU 115 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1f6r h LEU 115 CO 0.56 0.72 0.50 -2.24 0.09 0.00 0.00 178.44 178.07 1f6r h ASP 116 N 0.00 0.00 0.00 -0.43 2.03 -1.99 0.74 116.42 116.77 1f6r h ASP 116 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1f6r h ASP 116 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1f6r h ASP 116 CO 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.30 1f6r n GLN 117 N -2.95 0.99 -0.08 4.15 10.64 -1.24 -2.64 117.38 126.24 1f6r n GLN 117 Ca 0.01 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.21 1f6r n GLN 117 Cb 0.56 -1.32 0.08 0.00 -0.86 0.00 0.00 30.24 28.71 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 -0.82 0.21 -2.09 2.61 7.02 0.26 -5.03 117.44 119.61 1f6r n TRP 118 Ca 0.15 -0.38 -0.30 0.00 -1.02 0.00 0.00 57.50 55.95 1f6r n TRP 118 Cb 0.07 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 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 -0.90 3.35 0.00 -0.99 1.43 -1.08 -4.68 118.68 115.82 1f6r s LEU 119 Ca 0.13 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1f6r s LEU 119 Cb 0.07 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.96 1f6r s LEU 119 CO 0.09 -0.78 0.17 0.00 0.23 0.00 0.00 176.35 176.06