#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 3.10 0.76 5.31 2.00 -1.26 -1.53 119.66 128.04 1f6r s GLN 2 Ca 0.00 -0.95 -0.12 0.00 -2.00 0.00 0.00 55.36 52.29 1f6r s GLN 2 Cb 0.00 -4.10 0.05 0.00 0.80 0.00 0.00 33.01 29.76 1f6r s GLN 2 CO 0.00 -1.19 1.14 -0.51 -0.50 0.00 0.00 175.29 174.23 1f6r s LEU 3 N 2.48 2.68 0.22 3.68 1.43 -0.59 -5.01 118.68 123.56 1f6r s LEU 3 Ca 0.13 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1f6r s LEU 3 Cb -0.20 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1f6r s LEU 3 CO 0.11 -1.67 0.35 0.42 0.23 0.00 0.00 176.35 175.79 1f6r s THR 4 N -3.48 5.27 0.20 5.49 -4.23 -1.26 -4.88 115.64 112.75 1f6r s THR 4 Ca 0.60 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 1f6r s THR 4 Cb -0.11 -3.82 0.18 0.00 1.34 0.00 0.00 72.50 70.08 1f6r s THR 4 CO 0.50 -0.27 1.65 0.50 -0.54 0.00 0.00 174.62 176.46 1f6r h LYS 5 N 1.45 0.04 -0.24 3.99 3.64 -1.99 -0.12 116.57 123.34 1f6r h LYS 5 Ca -0.51 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1f6r h LYS 5 Cb 1.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1f6r h LYS 5 CO 0.63 0.02 0.02 0.00 -2.27 0.00 0.00 179.45 177.86 1f6r h GLU 7 N 0.34 0.36 -0.53 0.00 5.08 -1.45 -2.08 114.58 116.30 1f6r h GLU 7 Ca 0.08 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1f6r h GLU 7 Cb 0.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1f6r h GLU 7 CO 0.00 0.60 0.32 0.28 -1.00 0.00 0.00 179.01 179.21 1f6r h VAL 8 N 0.09 1.05 -0.68 3.13 2.07 -0.88 0.30 116.25 121.33 1f6r h VAL 8 Ca 0.05 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1f6r h VAL 8 Cb 0.46 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 1f6r h VAL 8 CO 0.02 0.12 0.24 0.15 0.02 0.00 0.00 177.57 178.12 1f6r h PHE 9 N 0.63 0.42 0.19 1.57 3.57 -1.13 0.22 116.94 122.40 1f6r h PHE 9 Ca 0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1f6r h PHE 9 Cb 0.03 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1f6r h PHE 9 CO -0.06 0.05 -0.09 -0.09 -2.23 0.00 0.00 178.31 175.89 1f6r h ARG 10 N 0.40 -0.24 0.00 1.11 9.65 -0.64 -3.26 114.38 121.39 1f6r h ARG 10 Ca 0.36 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.25 1f6r h ARG 10 Cb 0.52 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1f6r h ARG 10 CO -0.38 0.14 -0.05 0.93 2.80 0.00 0.00 179.97 183.42 1f6r h GLU 11 N -0.72 0.00 -0.36 0.20 5.08 -0.53 -2.14 114.58 116.11 1f6r h GLU 11 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f6r h GLU 11 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1f6r h GLU 11 CO 0.04 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 1f6r n LEU 12 N -4.10 2.14 -0.33 1.33 4.77 0.72 -4.39 117.00 117.13 1f6r n LEU 12 Ca -0.03 -1.04 0.35 0.00 -0.03 0.00 0.00 56.01 55.26 1f6r n LEU 12 Cb 0.13 -0.24 0.73 0.00 -2.33 0.00 0.00 43.42 41.72 1f6r n LEU 12 CO 0.31 0.52 1.32 0.50 -1.33 0.00 0.00 177.39 178.71 1f6r h LYS 13 N 2.43 0.03 0.00 3.23 3.64 -1.43 0.40 116.57 124.87 1f6r h LYS 13 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f6r h LYS 13 Cb 0.55 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1f6r h LYS 13 CO 0.00 0.02 0.00 0.22 -2.27 0.00 0.00 179.45 177.42 1f6r h ASP 14 N 0.03 0.00 0.39 4.20 3.58 -1.85 -2.19 116.42 120.58 1f6r h ASP 14 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.02 1f6r h ASP 14 Cb 2.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.28 1f6r h ASP 14 CO -0.03 0.00 -0.68 0.18 -2.88 0.00 0.00 179.24 175.82 1f6r n LEU 15 N -2.79 0.64 -4.66 2.28 4.77 0.14 -4.82 117.00 112.55 1f6r n LEU 15 Ca 0.00 -0.11 -0.48 0.00 -0.03 0.00 0.00 56.01 55.39 1f6r n LEU 15 Cb 0.23 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1f6r n LEU 15 CO 0.23 0.14 1.25 1.17 -1.33 0.00 0.00 177.39 178.84 1f6r n LYS 16 N -1.57 1.94 0.00 3.23 4.81 -0.83 -0.98 118.16 124.76 1f6r n LYS 16 Ca 0.05 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1f6r n LYS 16 Cb 0.35 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.93 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 3.62 2.97 3.71 3.14 0.00 -0.25 -4.98 105.19 113.40 1f6r n GLY 17 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 2.76 -0.62 1.61 5.04 -0.15 0.44 117.35 124.65 1f6r s TYR 18 Ca 0.00 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1f6r s TYR 18 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1f6r s TYR 18 CO 0.00 -3.77 0.00 0.41 -1.34 0.00 0.00 175.55 170.85 1f6r n GLY 19 N 3.89 0.69 2.99 8.97 0.00 -1.26 -2.04 105.19 118.43 1f6r n GLY 19 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.60 0.81 3.78 -0.02 0.00 0.17 -5.01 105.19 104.33 1f6r n GLY 20 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.37 4.44 0.55 1.61 0.11 -0.87 -4.79 120.40 118.09 1f6r s VAL 21 Ca 0.00 1.60 -0.04 0.00 -2.93 0.00 0.00 61.98 60.61 1f6r s VAL 21 Cb 0.00 -4.09 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 1f6r s VAL 21 CO 0.00 0.52 0.84 -0.94 -3.33 0.00 0.00 175.10 172.19 1f6r s SER 22 N -1.15 5.63 0.29 3.54 1.04 -1.26 -1.09 113.70 120.69 1f6r s SER 22 Ca 0.35 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 57.33 1f6r s SER 22 Cb -0.22 -1.62 0.41 0.00 0.10 0.00 0.00 66.02 64.69 1f6r s SER 22 CO 0.25 -0.98 1.88 -0.07 0.98 0.00 0.00 173.24 175.30 1f6r h LEU 23 N -0.03 0.86 -1.66 2.42 3.38 -1.96 -2.56 115.31 115.77 1f6r h LEU 23 Ca -0.45 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1f6r h LEU 23 Cb 1.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1f6r h LEU 23 CO 0.59 0.74 -0.15 -0.65 0.09 0.00 0.00 178.44 179.06 1f6r h PRO 24 N 0.94 0.02 -0.30 1.13 0.11 -1.91 0.18 132.00 132.17 1f6r h PRO 24 Ca 0.23 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 1f6r h PRO 24 Cb 0.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1f6r h PRO 24 CO -0.03 0.18 -0.39 0.93 -0.21 0.00 0.00 178.00 178.48 1f6r h GLU 25 N 0.02 0.72 -0.12 1.05 5.08 -1.82 -1.82 114.58 117.70 1f6r h GLU 25 Ca 0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1f6r h GLU 25 Cb 0.29 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1f6r h GLU 25 CO 0.02 0.99 -0.17 -1.49 -1.00 0.00 0.00 179.01 177.36 1f6r h TRP 26 N 0.59 0.39 -0.48 4.33 -0.00 -1.09 -1.77 115.95 117.93 1f6r h TRP 26 Ca 0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1f6r h TRP 26 Cb 0.93 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.99 1f6r h TRP 26 CO 0.05 0.77 0.31 0.28 -0.00 0.00 0.00 178.44 179.84 1f6r h VAL 27 N -0.09 1.13 -0.45 1.49 2.07 -0.66 -1.22 116.25 118.52 1f6r h VAL 27 Ca 0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1f6r h VAL 27 Cb 0.73 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1f6r h VAL 27 CO 0.04 0.13 0.13 0.00 0.02 0.00 0.00 177.57 177.88 1f6r h THR 29 N 0.59 0.94 0.00 0.00 2.02 -1.02 -2.64 112.91 112.79 1f6r h THR 29 Ca 0.14 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1f6r h THR 29 Cb 0.29 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1f6r h THR 29 CO -0.00 0.05 -0.14 0.71 0.37 0.00 0.00 175.52 176.50 1f6r h THR 30 N -0.24 0.64 -0.28 3.16 1.35 -1.26 -1.04 112.91 115.24 1f6r h THR 30 Ca -0.02 -0.60 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 1f6r h THR 30 Cb 0.19 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1f6r h THR 30 CO 0.03 0.14 -0.12 0.15 -0.25 0.00 0.00 175.52 175.47 1f6r h PHE 31 N 0.00 0.67 0.00 4.73 3.57 -1.08 -0.81 116.94 124.02 1f6r h PHE 31 Ca -0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1f6r h PHE 31 Cb 0.37 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1f6r h PHE 31 CO 0.00 0.81 0.00 0.72 -2.23 0.00 0.00 178.31 177.61 1f6r n HIS 32 N -4.45 0.81 -0.08 0.41 8.25 -0.95 -1.23 115.22 117.98 1f6r n HIS 32 Ca -0.03 0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 57.56 1f6r n HIS 32 Cb 0.35 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 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 0.51 0.00 1.59 2.02 -0.95 -3.43 112.91 112.65 1f6r h THR 33 Ca 0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1f6r h THR 33 Cb 0.62 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1f6r h THR 33 CO 0.00 0.17 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 1f6r n SER 34 N -4.54 1.04 -1.96 4.18 3.41 -0.33 -4.91 113.62 110.50 1f6r n SER 34 Ca -0.18 -1.23 -0.19 0.00 -0.26 0.00 0.00 58.87 57.01 1f6r n SER 34 Cb 0.45 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.12 0.10 2.30 5.00 0.00 -0.37 -2.12 105.19 109.99 1f6r n GLY 35 Ca 0.00 -0.11 -0.13 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 -3.66 -0.33 -3.43 1.61 0.53 -1.23 -4.84 117.16 105.81 1f6r n TYR 36 Ca -0.21 0.00 -0.44 0.00 -1.02 0.00 0.00 57.90 56.23 1f6r n TYR 36 Cb 0.65 -2.58 -0.09 0.00 -1.03 0.00 0.00 39.34 36.30 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 -2.63 6.12 0.63 7.72 -1.08 -0.90 -1.54 116.67 125.00 1f6r s ASP 37 Ca 0.00 -1.10 0.40 0.00 -0.52 0.00 0.00 52.55 51.34 1f6r s ASP 37 Cb 0.00 -2.17 2.10 0.00 -1.46 0.00 0.00 42.92 41.39 1f6r s ASP 37 CO 0.00 -0.54 2.26 0.71 0.52 0.00 0.00 175.17 178.13 1f6r h THR 38 N 5.69 0.08 -0.54 1.71 1.35 -1.62 -1.73 112.91 117.85 1f6r h THR 38 Ca -0.28 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1f6r h THR 38 Cb 1.12 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1f6r h THR 38 CO 0.80 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 176.07 1f6r n GLN 39 N -3.18 4.05 -1.87 4.72 6.02 -1.26 -3.97 117.38 121.90 1f6r n GLN 39 Ca -0.02 -2.96 -0.42 0.00 -0.01 0.00 0.00 57.00 53.59 1f6r n GLN 39 Cb 0.13 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 29.35 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 -2.34 3.83 -0.07 -1.58 0.00 -0.65 -4.80 121.76 116.14 1f6r s ALA 40 Ca 0.50 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.86 1f6r s ALA 40 Cb 0.36 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1f6r s ALA 40 CO 0.18 -0.83 0.16 -1.50 0.00 0.00 0.00 175.76 173.77 1f6r s ILE 41 N 1.18 -0.06 -0.14 0.00 2.07 -1.26 0.19 121.20 123.17 1f6r s ILE 41 Ca 0.72 0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 60.14 1f6r s ILE 41 Cb -0.46 -0.26 0.04 0.00 0.13 0.00 0.00 42.46 41.91 1f6r s ILE 41 CO 0.31 0.08 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.67 1f6r s VAL 42 N 1.26 1.04 -0.22 4.00 1.01 -0.70 -4.98 120.40 121.81 1f6r s VAL 42 Ca -0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1f6r s VAL 42 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1f6r s VAL 42 CO -0.06 0.21 0.11 -1.58 0.00 0.00 0.00 175.10 173.78 1f6r s GLN 43 N 1.68 4.00 0.49 2.72 0.74 -1.26 -0.76 119.66 127.27 1f6r s GLN 43 Ca 0.02 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.15 1f6r s GLN 43 Cb -0.14 -3.39 0.03 0.00 1.10 0.00 0.00 33.01 30.61 1f6r s GLN 43 CO -0.08 0.13 0.22 0.09 -0.55 0.00 0.00 175.29 175.10 1f6r n ASN 44 N 4.02 2.91 0.04 6.67 4.13 0.17 -4.99 115.26 128.22 1f6r n ASN 44 Ca -0.16 -2.89 -0.00 0.00 1.68 0.00 0.00 54.58 53.21 1f6r n ASN 44 Cb 0.52 0.12 0.30 0.00 -1.54 0.00 0.00 39.78 39.17 1f6r n ASN 44 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1f6r h ASN 45 N 0.83 0.39 0.00 6.41 -0.00 -2.05 -3.32 115.58 117.84 1f6r h ASN 45 Ca -0.35 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.30 55.83 1f6r h ASN 45 Cb 1.18 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 39.39 1f6r h ASN 45 CO 0.57 0.55 -1.68 0.47 -0.00 0.00 0.00 177.43 177.34 1f6r n ASP 46 N -4.22 1.76 -4.02 1.15 8.00 -1.26 -5.06 116.55 112.90 1f6r n ASP 46 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1f6r n ASP 46 Cb 0.31 1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 42.90 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 -3.74 -0.02 -0.01 -2.24 1.04 -1.25 -4.94 113.70 102.54 1f6r s SER 47 Ca -0.05 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1f6r s SER 47 Cb 0.08 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1f6r s SER 47 CO 0.58 -1.09 -0.02 -0.89 0.98 0.00 0.00 173.24 172.81 1f6r s THR 48 N -4.02 0.20 -0.10 2.02 2.01 -1.26 0.45 115.64 114.95 1f6r s THR 48 Ca 0.26 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1f6r s THR 48 Cb 0.01 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1f6r s THR 48 CO 0.10 0.08 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.45 1f6r s GLU 49 N 0.21 3.06 -0.06 4.92 2.02 0.06 -1.89 118.70 127.02 1f6r s GLU 49 Ca -0.02 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1f6r s GLU 49 Cb -0.04 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 1f6r s GLU 49 CO -0.01 0.55 -0.19 0.71 0.02 0.00 0.00 175.26 176.35 1f6r s TYR 50 N -0.49 2.60 0.00 1.61 2.02 0.13 -1.73 117.35 121.50 1f6r s TYR 50 Ca 0.08 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1f6r s TYR 50 Cb -0.12 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1f6r s TYR 50 CO 0.02 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1f6r n GLY 51 N 2.76 -0.37 0.32 0.71 0.00 0.13 -0.83 105.19 107.90 1f6r n GLY 51 Ca -0.17 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 0.51 -2.18 0.99 5.85 -1.68 -0.37 115.31 118.42 1f6r h LEU 52 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1f6r h LEU 52 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1f6r h LEU 52 CO 0.00 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.73 1f6r n PHE 53 N -4.92 0.39 -3.67 1.25 3.72 -1.26 -3.90 117.46 109.08 1f6r n PHE 53 Ca 0.21 -0.19 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 1f6r n PHE 53 Cb 0.56 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.14 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 1.41 -2.09 -2.73 -1.08 1.13 -0.15 -4.92 117.38 108.95 1f6r n GLN 54 Ca 0.18 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 1f6r n GLN 54 Cb 0.59 -4.51 -0.03 0.00 0.11 0.00 0.00 30.24 26.40 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 -3.54 4.79 0.10 5.09 1.01 -0.01 -4.42 121.20 124.22 1f6r s ILE 55 Ca 0.35 2.04 -0.12 0.00 0.00 0.00 0.00 60.65 62.92 1f6r s ILE 55 Cb -0.11 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1f6r s ILE 55 CO 0.84 0.20 0.46 0.54 0.00 0.00 0.00 174.94 176.99 1f6r s ASN 56 N 0.74 6.72 0.00 3.58 2.20 -1.26 0.21 114.94 127.13 1f6r s ASN 56 Ca 0.50 0.91 0.05 0.00 -0.94 0.00 0.00 52.86 53.38 1f6r s ASN 56 Cb -0.21 -2.22 0.31 0.00 -2.00 0.00 0.00 41.25 37.12 1f6r s ASN 56 CO 0.28 0.15 1.04 -0.46 -2.94 0.00 0.00 177.10 175.18 1f6r n ASN 57 N 0.91 0.00 0.02 3.54 6.94 -0.79 -2.86 115.26 123.02 1f6r n ASN 57 Ca -0.07 -1.49 -0.03 0.00 -0.02 0.00 0.00 54.58 52.97 1f6r n ASN 57 Cb 0.52 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 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 0.00 0.00 0.00 -3.83 1.79 -1.86 -3.43 116.57 109.24 1f6r h LYS 58 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1f6r h LYS 58 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1f6r h LYS 58 CO 0.00 0.40 -0.76 -0.89 -1.08 0.00 0.00 179.45 177.12 1f6r n ILE 59 N -2.98 0.00 0.08 1.86 5.41 -1.23 -3.89 119.36 118.60 1f6r n ILE 59 Ca -0.11 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.48 1f6r n ILE 59 Cb 0.91 -1.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.70 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 0.44 -4.38 1.39 4.06 -1.82 0.24 115.95 115.89 1f6r h TRP 60 Ca 0.00 -0.32 -0.18 0.00 2.06 0.00 0.00 58.89 60.44 1f6r h TRP 60 Cb 0.76 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.75 1f6r h TRP 60 CO 0.00 1.32 -0.60 0.00 -3.56 0.00 0.00 178.44 175.60 1f6r s LYS 62 N -4.06 3.77 0.32 0.00 2.20 -0.11 -4.56 119.74 117.30 1f6r s LYS 62 Ca 0.25 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1f6r s LYS 62 Cb 0.07 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1f6r s LYS 62 CO 0.03 0.70 0.10 0.34 -0.36 0.00 0.00 175.35 176.16 1f6r s ASP 63 N -1.17 1.91 0.10 1.43 2.15 -1.24 -1.57 116.67 118.28 1f6r s ASP 63 Ca 0.23 -1.47 0.01 0.00 0.43 0.00 0.00 52.55 51.75 1f6r s ASP 63 Cb -0.15 0.20 -0.24 0.00 -0.30 0.00 0.00 42.92 42.43 1f6r s ASP 63 CO 0.12 -0.77 1.21 0.44 -0.17 0.00 0.00 175.17 176.01 1f6r h ASP 64 N 2.16 0.22 -0.08 -0.34 5.19 -1.99 -2.95 116.42 118.63 1f6r h ASP 64 Ca -0.37 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 55.78 1f6r h ASP 64 Cb 1.25 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 1f6r h ASP 64 CO 0.61 1.18 -0.05 -0.61 -3.12 0.00 0.00 179.24 177.24 1f6r h GLN 65 N 0.04 0.17 -2.77 3.56 4.15 -1.98 -3.38 115.11 114.91 1f6r h GLN 65 Ca -0.07 -0.08 -0.61 0.00 0.77 0.00 0.00 58.65 58.66 1f6r h GLN 65 Cb 1.86 -0.00 -0.41 0.00 0.21 0.00 0.00 27.48 29.14 1f6r h GLN 65 CO 0.17 0.57 -0.69 0.09 -1.93 0.00 0.00 178.83 177.04 1f6r n ASN 66 N -4.73 2.16 0.20 -0.69 3.02 -1.23 -4.89 115.26 109.09 1f6r n ASN 66 Ca -0.07 -3.02 0.14 0.00 -0.03 0.00 0.00 54.58 51.60 1f6r n ASN 66 Cb 0.28 -0.70 0.58 0.00 -0.61 0.00 0.00 39.78 39.33 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 5.25 0.00 -0.54 3.52 0.13 -1.71 -2.29 132.00 136.36 1f6r h PRO 67 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1f6r h PRO 67 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1f6r h PRO 67 CO 0.64 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.13 1f6r n HIS 68 N -2.64 0.80 -1.81 1.56 8.25 -1.26 -4.93 115.22 115.18 1f6r n HIS 68 Ca 0.01 -0.35 -0.37 0.00 -0.26 0.00 0.00 57.72 56.76 1f6r n HIS 68 Cb 0.27 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.34 1f6r n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6r s SER 69 N -0.87 4.94 0.38 0.41 0.15 -0.86 -4.87 113.70 112.98 1f6r s SER 69 Ca 0.32 2.62 0.27 0.00 0.70 0.00 0.00 55.95 59.87 1f6r s SER 69 Cb 0.19 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 63.18 1f6r s SER 69 CO 0.18 -1.78 1.83 0.77 1.20 0.00 0.00 173.24 175.44 1f6r h SER 70 N 0.93 0.00 -7.01 5.45 4.64 -1.71 -3.46 113.55 112.38 1f6r h SER 70 Ca -0.51 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.20 1f6r h SER 70 Cb 1.32 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.29 1f6r h SER 70 CO 0.55 0.00 -0.99 -3.20 -0.87 0.00 0.00 176.83 172.32 1f6r n ASN 71 N -2.49 -1.25 0.07 4.97 5.15 -0.73 -4.80 115.26 116.18 1f6r n ASN 71 Ca -0.00 -1.28 0.16 0.00 -0.60 0.00 0.00 54.58 52.86 1f6r n ASN 71 Cb 0.15 -1.68 0.67 0.00 -0.53 0.00 0.00 39.78 38.40 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 -2.16 0.82 -0.26 -1.44 1.08 -0.89 -0.25 117.51 114.41 1f6r h ILE 72 Ca -0.68 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1f6r h ILE 72 Cb 1.40 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1f6r h ILE 72 CO 0.63 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.09 1f6r n ASN 74 N 0.60 -1.86 -3.69 0.00 2.85 -0.11 -4.95 115.26 108.11 1f6r n ASN 74 Ca 0.16 -1.26 -0.12 0.00 -0.11 0.00 0.00 54.58 53.25 1f6r n ASN 74 Cb 0.38 -1.80 -0.06 0.00 1.24 0.00 0.00 39.78 39.54 1f6r n ASN 74 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1f6r s ILE 75 N -3.90 0.07 -0.13 -1.44 2.07 -1.26 -5.07 121.20 111.53 1f6r s ILE 75 Ca 0.26 -0.56 -0.25 0.00 -1.41 0.00 0.00 60.65 58.70 1f6r s ILE 75 Cb -0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 1f6r s ILE 75 CO 0.97 -0.31 0.79 -0.55 -1.91 0.00 0.00 174.94 173.94 1f6r s SER 76 N -2.19 6.97 0.34 4.50 0.15 -1.26 -0.93 113.70 121.27 1f6r s SER 76 Ca -0.03 1.18 0.14 0.00 0.70 0.00 0.00 55.95 57.94 1f6r s SER 76 Cb -0.00 -2.44 1.10 0.00 -1.71 0.00 0.00 66.02 62.97 1f6r s SER 76 CO -0.05 -0.30 1.64 0.00 1.20 0.00 0.00 173.24 175.73 1f6r h ASP 78 N 0.23 0.00 0.21 0.00 2.03 -1.92 -0.45 116.42 116.52 1f6r h ASP 78 Ca 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.04 1f6r h ASP 78 Cb 1.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.24 1f6r h ASP 78 CO -0.66 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 177.84 1f6r n LYS 79 N -2.82 0.09 0.00 4.15 4.76 -0.28 -1.29 118.16 122.76 1f6r n LYS 79 Ca -0.03 0.25 0.13 0.00 -2.87 0.00 0.00 58.31 55.79 1f6r n LYS 79 Cb 0.06 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.36 0.00 0.75 2.13 0.99 -0.18 -4.15 117.46 115.64 1f6r n PHE 80 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 1f6r n PHE 80 Cb 0.08 -0.06 0.07 0.00 -1.00 0.00 0.00 39.48 38.57 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 -0.18 0.64 0.00 4.37 4.77 -0.41 -4.23 117.00 121.97 1f6r n LEU 81 Ca 0.13 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1f6r n LEU 81 Cb 0.39 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1f6r n LEU 81 CO 0.23 0.09 0.37 -0.90 -1.33 0.00 0.00 177.39 175.85 1f6r n ASP 82 N -1.78 0.26 0.08 -1.43 3.85 -1.26 -4.08 116.55 112.18 1f6r n ASP 82 Ca 0.03 -1.34 0.13 0.00 -0.71 0.00 0.00 54.79 52.90 1f6r n ASP 82 Cb 0.39 -0.42 0.38 0.00 -1.35 0.00 0.00 41.12 40.12 1f6r n ASP 82 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1f6r n ASP 83 N -3.25 0.66 -4.47 -1.12 8.00 -1.26 -4.69 116.55 110.42 1f6r n ASP 83 Ca 0.08 0.43 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 1f6r n ASP 83 Cb 0.28 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 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 -4.18 6.23 0.00 -2.24 2.15 -1.26 -4.91 116.67 112.46 1f6r s ASP 84 Ca 0.10 -0.82 0.08 0.00 0.43 0.00 0.00 52.55 52.34 1f6r s ASP 84 Cb 0.14 -2.39 0.49 0.00 -0.30 0.00 0.00 42.92 40.85 1f6r s ASP 84 CO 0.62 -1.25 0.91 0.18 -0.17 0.00 0.00 175.17 175.46 1f6r n LEU 85 N 7.24 0.00 -0.21 -1.34 4.77 -1.26 -3.90 117.00 122.30 1f6r n LEU 85 Ca -0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1f6r n LEU 85 Cb 0.46 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1f6r n LEU 85 CO 0.62 0.00 1.02 0.74 -1.33 0.00 0.00 177.39 178.43 1f6r h THR 86 N 0.00 0.83 -0.50 -5.08 2.02 -1.94 -1.16 112.91 107.07 1f6r h THR 86 Ca 0.00 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1f6r h THR 86 Cb 0.00 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1f6r h THR 86 CO 0.00 0.09 -0.13 0.44 0.37 0.00 0.00 175.52 176.29 1f6r h ASP 87 N 0.48 0.98 0.49 4.18 3.32 -1.89 -2.55 116.42 121.43 1f6r h ASP 87 Ca 0.30 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1f6r h ASP 87 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1f6r h ASP 87 CO -0.27 1.12 -0.38 0.44 -1.72 0.00 0.00 179.24 178.43 1f6r h ASP 88 N 0.83 -0.99 -0.90 6.45 5.19 -1.69 -2.21 116.42 123.10 1f6r h ASP 88 Ca 0.13 0.07 0.18 0.00 -0.62 0.00 0.00 57.03 56.78 1f6r h ASP 88 Cb 0.69 0.31 -0.10 0.00 0.18 0.00 0.00 39.33 40.41 1f6r h ASP 88 CO 0.05 -0.55 0.47 0.40 -3.12 0.00 0.00 179.24 176.49 1f6r h ILE 89 N -0.85 0.66 -0.44 0.35 2.04 -1.22 0.26 117.51 118.31 1f6r h ILE 89 Ca -0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1f6r h ILE 89 Cb 0.73 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1f6r h ILE 89 CO 0.00 0.11 0.25 -0.03 0.00 0.00 0.00 178.15 178.49 1f6r h MET 90 N 0.61 0.61 -0.26 2.37 4.05 -1.18 -1.82 114.93 119.31 1f6r h MET 90 Ca 0.52 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.73 1f6r h MET 90 Cb 0.82 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1f6r h MET 90 CO -0.41 0.47 -0.42 0.00 0.23 0.00 0.00 176.91 176.78 1f6r h VAL 92 N 0.47 1.04 -0.81 0.00 2.07 -0.42 0.34 116.25 118.95 1f6r h VAL 92 Ca 0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1f6r h VAL 92 Cb 1.02 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1f6r h VAL 92 CO 0.10 0.14 0.38 0.11 0.02 0.00 0.00 177.57 178.32 1f6r h LYS 93 N 0.79 1.16 -0.54 1.57 1.57 -1.15 0.29 116.57 120.26 1f6r h LYS 93 Ca 0.31 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1f6r h LYS 93 Cb 0.22 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1f6r h LYS 93 CO -0.10 0.90 0.31 0.87 -0.57 0.00 0.00 179.45 180.86 1f6r h LYS 94 N 1.15 0.74 -0.42 3.15 1.79 -0.88 -0.98 116.57 121.12 1f6r h LYS 94 Ca 0.28 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1f6r h LYS 94 Cb 0.13 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1f6r h LYS 94 CO -0.03 0.55 0.14 0.82 -1.08 0.00 0.00 179.45 179.84 1f6r h ILE 95 N 0.72 1.22 -0.69 1.86 2.04 -0.32 -1.43 117.51 120.91 1f6r h ILE 95 Ca 0.19 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1f6r h ILE 95 Cb 0.01 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1f6r h ILE 95 CO -0.03 0.25 0.45 -0.07 0.00 0.00 0.00 178.15 178.74 1f6r h LEU 96 N 0.53 0.80 -0.73 1.44 3.38 -0.64 0.46 115.31 120.55 1f6r h LEU 96 Ca 0.14 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1f6r h LEU 96 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1f6r h LEU 96 CO -0.01 0.59 -0.10 0.44 0.09 0.00 0.00 178.44 179.46 1f6r h ASP 97 N 0.94 0.85 0.31 -0.43 3.32 -0.80 -2.34 116.42 118.28 1f6r h ASP 97 Ca 0.25 -0.26 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 1f6r h ASP 97 Cb -0.09 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 1f6r h ASP 97 CO -0.05 0.98 -1.69 0.11 -1.72 0.00 0.00 179.24 176.87 1f6r h LYS 98 N 0.78 0.29 0.00 3.56 1.79 -0.35 -3.44 116.57 119.20 1f6r h LYS 98 Ca 0.13 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1f6r h LYS 98 Cb 0.61 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1f6r h LYS 98 CO 0.04 1.17 -0.64 0.28 -1.08 0.00 0.00 179.45 179.22 1f6r n VAL 99 N -3.48 0.00 0.00 0.50 0.31 0.15 -5.10 118.33 110.71 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 1.06 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 2.06 1.82 0.26 2.92 0.00 -0.88 -4.66 105.19 106.71 1f6r n GLY 100 Ca 0.00 -2.07 0.11 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 0.70 -0.06 -0.61 6.09 -1.90 -2.28 117.51 119.44 1f6r h ILE 101 Ca 0.00 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1f6r h ILE 101 Cb 0.00 1.33 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1f6r h ILE 101 CO 0.00 0.13 0.00 0.59 -3.07 0.00 0.00 178.15 175.80 1f6r n ASN 102 N -3.81 0.52 -0.12 2.19 3.02 -1.26 -2.86 115.26 112.94 1f6r n ASN 102 Ca -0.02 -2.01 -0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1f6r n ASN 102 Cb 0.23 -0.12 0.26 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.39 0.79 -3.64 3.10 3.20 -1.67 -3.35 116.97 115.78 1f6r h TYR 103 Ca 0.00 -0.03 -0.61 0.00 3.14 0.00 0.00 58.73 61.23 1f6r h TYR 103 Cb 0.17 -0.25 -0.11 0.00 1.54 0.00 0.00 36.73 38.08 1f6r h TYR 103 CO 0.05 0.59 0.51 -1.58 -1.64 0.00 0.00 178.16 176.10 1f6r s TRP 104 N -5.44 2.94 0.57 -3.82 0.51 -1.14 -4.93 118.94 107.63 1f6r s TRP 104 Ca -0.10 0.30 0.26 0.00 -2.12 0.00 0.00 56.10 54.45 1f6r s TRP 104 Cb 0.17 -3.89 1.68 0.00 -0.81 0.00 0.00 33.47 30.62 1f6r s TRP 104 CO 0.78 -1.08 2.22 -0.07 -0.51 0.00 0.00 176.95 178.29 1f6r h LEU 105 N 10.46 0.00 -1.38 2.99 3.38 -1.88 -2.27 115.31 126.60 1f6r h LEU 105 Ca -0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1f6r h LEU 105 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1f6r h LEU 105 CO 1.01 0.01 -0.15 0.00 0.09 0.00 0.00 178.44 179.40 1f6r h ALA 106 N 1.99 1.49 0.18 1.53 0.00 -1.92 -1.31 119.26 121.22 1f6r h ALA 106 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1f6r h ALA 106 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1f6r h ALA 106 CO 0.00 0.36 -0.33 1.25 0.00 0.00 0.00 179.25 180.53 1f6r h HIS 107 N 0.22 -0.90 -0.13 0.00 -0.00 -1.72 0.46 115.15 113.07 1f6r h HIS 107 Ca 0.04 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.25 1f6r h HIS 107 Cb 0.40 0.37 0.01 0.00 -0.00 0.00 0.00 27.41 28.19 1f6r h HIS 107 CO 0.01 -0.45 -0.62 -0.22 -0.00 0.00 0.00 177.93 176.65 1f6r h LYS 108 N -0.60 0.65 -0.36 5.26 3.64 -1.71 -0.79 116.57 122.66 1f6r h LYS 108 Ca 0.02 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1f6r h LYS 108 Cb 0.60 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1f6r h LYS 108 CO -0.16 1.14 0.13 0.00 -2.27 0.00 0.00 179.45 178.29 1f6r h ALA 109 N 0.51 0.48 -0.00 5.00 0.00 -1.07 -3.37 119.26 120.81 1f6r h ALA 109 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1f6r h ALA 109 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1f6r h ALA 109 CO 0.13 0.10 -0.00 1.28 0.00 0.00 0.00 179.25 180.75 1f6r n LEU 110 N -4.65 0.48 -1.53 0.00 4.77 0.16 -4.79 117.00 111.44 1f6r n LEU 110 Ca -0.01 -0.74 -0.14 0.00 -0.03 0.00 0.00 56.01 55.10 1f6r n LEU 110 Cb 0.16 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1f6r n LEU 110 CO 0.37 0.12 0.35 0.00 -1.33 0.00 0.00 177.39 176.91 1f6r n SER 112 N -0.89 2.69 -3.67 0.00 3.41 -1.24 -4.86 113.62 109.07 1f6r n SER 112 Ca 0.36 -2.41 -0.10 0.00 -0.26 0.00 0.00 58.87 56.46 1f6r n SER 112 Cb 0.88 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1f6r n SER 112 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1f6r s GLU 113 N -1.73 1.17 -1.58 4.33 -1.05 -1.26 -4.93 118.70 113.65 1f6r s GLU 113 Ca 0.21 -0.76 -0.14 0.00 -0.15 0.00 0.00 54.97 54.13 1f6r s GLU 113 Cb 0.16 0.49 0.10 0.00 -0.44 0.00 0.00 34.13 34.43 1f6r s GLU 113 CO 0.07 -0.47 0.82 1.63 0.95 0.00 0.00 175.26 178.26 1f6r n LYS 114 N -0.27 -4.25 0.28 -4.83 5.02 -1.26 -4.83 118.16 108.02 1f6r n LYS 114 Ca -0.14 0.48 0.17 0.00 -2.02 0.00 0.00 58.31 56.80 1f6r n LYS 114 Cb 0.63 -5.20 0.71 0.00 -0.02 0.00 0.00 35.03 31.15 1f6r n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1f6r h LEU 115 N -1.80 0.00 -1.85 -0.35 3.38 -1.92 -3.04 115.31 109.74 1f6r h LEU 115 Ca -0.59 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1f6r h LEU 115 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1f6r h LEU 115 CO 0.71 0.03 -0.14 0.44 0.09 0.00 0.00 178.44 179.56 1f6r h ASP 116 N 0.00 0.00 0.63 -0.43 3.45 -1.98 -1.99 116.42 116.10 1f6r h ASP 116 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1f6r h ASP 116 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1f6r h ASP 116 CO 0.00 0.14 0.00 0.00 -1.57 0.00 0.00 179.24 177.81 1f6r n GLN 117 N -3.90 0.20 -0.42 3.56 10.64 -1.15 -2.17 117.38 124.14 1f6r n GLN 117 Ca -0.02 0.47 0.08 0.00 -1.83 0.00 0.00 57.00 55.70 1f6r n GLN 117 Cb 0.23 -1.91 0.28 0.00 -0.86 0.00 0.00 30.24 27.98 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 -2.29 1.04 -3.03 2.61 7.02 -0.75 -4.94 117.44 117.10 1f6r n TRP 118 Ca 0.01 -0.44 -0.27 0.00 -1.02 0.00 0.00 57.50 55.78 1f6r n TRP 118 Cb 0.20 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 28.95 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 -1.35 3.86 -0.07 -0.99 1.43 -0.92 -4.58 118.68 116.05 1f6r s LEU 119 Ca 0.40 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1f6r s LEU 119 Cb 0.24 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1f6r s LEU 119 CO 0.22 -0.38 -0.16 0.00 0.23 0.00 0.00 176.35 176.26