#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 3.34 0.91 5.31 -1.52 -1.26 -1.48 119.66 124.96 1f6r s GLN 2 Ca 0.00 -0.19 -0.14 0.00 -1.95 0.00 0.00 55.36 53.08 1f6r s GLN 2 Cb 0.00 -4.08 0.17 0.00 -0.22 0.00 0.00 33.01 28.88 1f6r s GLN 2 CO 0.00 -1.65 1.27 -0.51 -0.25 0.00 0.00 175.29 174.15 1f6r s LEU 3 N 4.43 2.69 0.34 2.90 1.43 -0.54 -5.00 118.68 124.93 1f6r s LEU 3 Ca 0.33 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.86 1f6r s LEU 3 Cb -0.11 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1f6r s LEU 3 CO 0.19 -2.48 0.12 0.42 0.23 0.00 0.00 176.35 174.83 1f6r s THR 4 N -3.77 2.99 0.26 5.49 -4.23 -1.26 -4.87 115.64 110.26 1f6r s THR 4 Ca 0.71 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1f6r s THR 4 Cb -0.06 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.07 1f6r s THR 4 CO 0.51 -0.19 1.73 0.50 -0.54 0.00 0.00 174.62 176.64 1f6r h LYS 5 N 1.59 0.49 0.00 3.99 3.64 -1.98 -0.78 116.57 123.51 1f6r h LYS 5 Ca -0.44 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.79 1f6r h LYS 5 Cb 1.25 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1f6r h LYS 5 CO 0.64 0.32 -0.58 0.00 -2.27 0.00 0.00 179.45 177.56 1f6r h GLU 7 N 0.00 0.83 -0.43 0.00 5.08 -1.65 -1.03 114.58 117.39 1f6r h GLU 7 Ca -0.01 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1f6r h GLU 7 Cb 1.28 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1f6r h GLU 7 CO 0.08 1.19 0.20 0.28 -1.00 0.00 0.00 179.01 179.76 1f6r h VAL 8 N 0.62 1.18 -0.77 3.13 2.07 -1.14 0.21 116.25 121.56 1f6r h VAL 8 Ca -0.00 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.09 1f6r h VAL 8 Cb 1.22 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1f6r h VAL 8 CO 0.13 0.20 0.39 0.15 0.02 0.00 0.00 177.57 178.46 1f6r h PHE 9 N 0.55 0.69 0.22 1.57 3.57 -0.98 -0.38 116.94 122.18 1f6r h PHE 9 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1f6r h PHE 9 Cb 0.14 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1f6r h PHE 9 CO -0.01 0.22 -0.11 0.00 -2.23 0.00 0.00 178.31 176.19 1f6r h ARG 10 N 0.62 -0.29 0.00 1.11 3.08 -0.40 -3.31 114.38 115.19 1f6r h ARG 10 Ca 0.39 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 1f6r h ARG 10 Cb 0.46 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1f6r h ARG 10 CO -0.30 0.07 -0.10 0.93 -1.07 0.00 0.00 179.97 179.50 1f6r h GLU 11 N -0.74 0.00 -0.39 0.04 5.08 -0.25 -2.59 114.58 115.74 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 0.05 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.44 1f6r n LEU 12 N -4.30 2.05 -0.38 1.33 4.77 -0.19 -4.45 117.00 115.83 1f6r n LEU 12 Ca -0.03 -1.02 0.30 0.00 -0.03 0.00 0.00 56.01 55.23 1f6r n LEU 12 Cb 0.18 -0.26 0.59 0.00 -2.33 0.00 0.00 43.42 41.60 1f6r n LEU 12 CO 0.34 0.50 1.23 0.50 -1.33 0.00 0.00 177.39 178.64 1f6r h LYS 13 N 2.20 0.22 0.00 3.23 3.64 -1.55 0.37 116.57 124.68 1f6r h LYS 13 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1f6r h LYS 13 Cb 0.52 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1f6r h LYS 13 CO 0.00 0.14 0.00 -3.47 -2.27 0.00 0.00 179.45 173.86 1f6r n ASP 14 N -4.63 0.43 0.06 4.20 -0.08 -1.26 -2.05 116.55 113.22 1f6r n ASP 14 Ca 0.31 0.60 0.12 0.00 -1.51 0.00 0.00 54.79 54.31 1f6r n ASP 14 Cb 1.17 -0.70 0.16 0.00 2.34 0.00 0.00 41.12 44.09 1f6r n ASP 14 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1f6r n LEU 15 N -1.97 0.69 -4.67 -2.67 4.77 0.13 -4.81 117.00 108.46 1f6r n LEU 15 Ca 0.03 0.21 -0.53 0.00 -0.03 0.00 0.00 56.01 55.68 1f6r n LEU 15 Cb 0.21 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1f6r n LEU 15 CO 0.18 -0.05 1.24 1.17 -1.33 0.00 0.00 177.39 178.60 1f6r n LYS 16 N -2.10 1.48 0.00 3.23 4.81 -0.87 -0.72 118.16 123.99 1f6r n LYS 16 Ca 0.03 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1f6r n LYS 16 Cb 0.44 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 3.72 2.77 3.70 3.14 0.00 0.30 -4.98 105.19 113.84 1f6r n GLY 17 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1f6r n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f6r n TYR 18 N -1.94 2.64 -1.17 1.61 9.36 0.11 -0.08 117.16 127.69 1f6r n TYR 18 Ca 0.00 0.07 -0.06 0.00 3.32 0.00 0.00 57.90 61.23 1f6r n TYR 18 Cb 0.00 -2.65 -0.02 0.00 -0.63 0.00 0.00 39.34 36.03 1f6r n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f6r n GLY 19 N 3.88 0.69 2.12 2.98 0.00 -1.26 -1.87 105.19 111.72 1f6r n GLY 19 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.65 0.51 3.74 -0.02 0.00 0.89 -4.96 105.19 104.70 1f6r n GLY 20 Ca -0.06 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.97 5.00 0.43 1.61 0.11 -0.78 -4.90 120.40 119.90 1f6r s VAL 21 Ca 0.00 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1f6r s VAL 21 Cb 0.00 -3.20 -0.06 0.00 -1.53 0.00 0.00 36.38 31.59 1f6r s VAL 21 CO 0.00 0.55 0.80 -0.94 -3.33 0.00 0.00 175.10 172.17 1f6r s SER 22 N -0.39 6.49 0.20 3.54 1.04 -1.26 -0.54 113.70 122.78 1f6r s SER 22 Ca 0.10 1.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.58 1f6r s SER 22 Cb -0.12 -2.33 0.22 0.00 0.10 0.00 0.00 66.02 63.89 1f6r s SER 22 CO 0.02 -0.45 1.76 -0.07 0.98 0.00 0.00 173.24 175.48 1f6r h LEU 23 N 1.08 0.30 -1.72 2.42 3.38 -1.95 -1.55 115.31 117.27 1f6r h LEU 23 Ca -0.47 0.06 0.16 0.00 0.09 0.00 0.00 57.88 57.72 1f6r h LEU 23 Cb 1.19 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1f6r h LEU 23 CO 0.63 0.19 0.49 -0.65 0.09 0.00 0.00 178.44 179.19 1f6r h PRO 24 N 0.46 0.26 -0.31 1.13 0.11 -1.93 0.18 132.00 131.91 1f6r h PRO 24 Ca 0.27 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1f6r h PRO 24 Cb 0.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1f6r h PRO 24 CO -0.24 0.17 -0.43 0.93 -0.21 0.00 0.00 178.00 178.23 1f6r h GLU 25 N 0.27 0.77 -0.60 1.05 5.08 -1.54 -1.99 114.58 117.62 1f6r h GLU 25 Ca 0.35 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1f6r h GLU 25 Cb 0.98 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1f6r h GLU 25 CO -0.08 1.04 0.05 -1.49 -1.00 0.00 0.00 179.01 177.53 1f6r h TRP 26 N 0.62 1.10 -0.40 4.33 -0.00 -0.45 -1.72 115.95 119.43 1f6r h TRP 26 Ca 0.04 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.89 58.71 1f6r h TRP 26 Cb 0.99 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.84 1f6r h TRP 26 CO 0.05 0.96 0.07 0.28 -0.00 0.00 0.00 178.44 179.80 1f6r h VAL 27 N 0.92 1.24 -0.19 1.49 2.07 -0.93 -2.11 116.25 118.74 1f6r h VAL 27 Ca 0.17 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1f6r h VAL 27 Cb 0.49 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1f6r h VAL 27 CO 0.02 0.30 0.10 0.00 0.02 0.00 0.00 177.57 178.01 1f6r h THR 29 N 0.19 1.06 0.00 0.00 2.02 -1.22 -1.51 112.91 113.45 1f6r h THR 29 Ca 0.06 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1f6r h THR 29 Cb 0.08 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1f6r h THR 29 CO -0.01 0.06 -0.23 0.71 0.37 0.00 0.00 175.52 176.41 1f6r h THR 30 N 0.26 0.67 -0.34 3.16 1.35 -1.38 0.88 112.91 117.52 1f6r h THR 30 Ca 0.07 -1.03 -0.13 0.00 -0.55 0.00 0.00 66.41 64.78 1f6r h THR 30 Cb -0.02 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1f6r h THR 30 CO -0.02 0.23 -0.28 0.15 -0.25 0.00 0.00 175.52 175.36 1f6r h PHE 31 N 0.00 0.94 0.00 4.73 3.57 -0.75 -0.93 116.94 124.50 1f6r h PHE 31 Ca -0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f6r h PHE 31 Cb 0.64 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1f6r h PHE 31 CO 0.00 1.03 0.00 0.72 -2.23 0.00 0.00 178.31 177.83 1f6r n HIS 32 N -4.22 0.00 -0.11 0.41 8.25 -0.63 -2.00 115.22 116.93 1f6r n HIS 32 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 1f6r n HIS 32 Cb 0.47 -0.48 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 1f6r n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1f6r n THR 33 N -1.48 1.52 -0.51 1.59 -1.04 0.21 -4.79 114.28 109.78 1f6r n THR 33 Ca 0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1f6r n THR 33 Cb 0.32 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1f6r n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f6r n SER 34 N -4.38 0.56 -1.54 8.00 3.41 -0.39 -4.87 113.62 114.40 1f6r n SER 34 Ca -0.37 -1.07 -0.16 0.00 -0.26 0.00 0.00 58.87 57.01 1f6r n SER 34 Cb 0.71 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.03 0.62 2.23 5.00 0.00 -0.85 -1.81 105.19 110.35 1f6r n GLY 35 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.31 0.00 -3.27 1.61 0.53 -1.20 -4.82 117.16 106.70 1f6r n TYR 36 Ca -0.18 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.28 1f6r n TYR 36 Cb 0.59 -0.98 -0.08 0.00 -1.03 0.00 0.00 39.34 37.84 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 -2.49 6.23 0.00 7.72 -1.08 -0.75 -1.46 116.67 124.84 1f6r s ASP 37 Ca 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 1f6r s ASP 37 Cb 0.00 -2.25 0.31 0.00 -1.46 0.00 0.00 42.92 39.52 1f6r s ASP 37 CO 0.00 -0.60 1.20 0.35 0.52 0.00 0.00 175.17 176.64 1f6r n THR 38 N 5.52 1.41 -0.20 1.71 -2.24 -0.55 -2.34 114.28 117.60 1f6r n THR 38 Ca -0.06 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.13 1f6r n THR 38 Cb 0.48 -1.23 0.15 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.47 2.88 -1.73 -0.78 6.02 -1.26 -4.10 117.38 116.94 1f6r n GLN 39 Ca 0.02 -2.07 -0.42 0.00 -0.01 0.00 0.00 57.00 54.52 1f6r n GLN 39 Cb 0.08 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1f6r n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6r n ALA 40 N 0.45 2.41 -3.68 -1.58 0.00 -0.99 -4.76 120.51 112.36 1f6r n ALA 40 Ca 0.12 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1f6r n ALA 40 Cb 0.44 -2.45 -0.14 0.00 0.00 0.00 0.00 19.45 17.30 1f6r n ALA 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1f6r s ILE 41 N 0.13 -0.27 -0.25 0.00 2.07 -1.26 0.11 121.20 121.73 1f6r s ILE 41 Ca 0.66 0.27 0.02 0.00 -1.41 0.00 0.00 60.65 60.20 1f6r s ILE 41 Cb -0.52 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 41.76 1f6r s ILE 41 CO 0.47 0.11 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.81 1f6r s VAL 42 N 2.08 2.08 -0.22 4.00 1.01 -0.25 -4.96 120.40 124.12 1f6r s VAL 42 Ca -0.01 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.38 1f6r s VAL 42 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1f6r s VAL 42 CO -0.07 0.04 0.12 -1.58 0.00 0.00 0.00 175.10 173.60 1f6r s GLN 43 N 1.16 3.99 0.34 2.72 0.74 -1.26 -0.16 119.66 127.18 1f6r s GLN 43 Ca -0.07 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1f6r s GLN 43 Cb -0.19 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.52 1f6r s GLN 43 CO -0.06 0.09 0.12 0.09 -0.55 0.00 0.00 175.29 174.97 1f6r n ASN 44 N 4.16 2.55 -0.29 6.67 4.13 0.28 -5.00 115.26 127.76 1f6r n ASN 44 Ca -0.16 -2.33 0.10 0.00 1.68 0.00 0.00 54.58 53.88 1f6r n ASN 44 Cb 0.52 0.11 0.25 0.00 -1.54 0.00 0.00 39.78 39.13 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 0.62 0.26 0.00 6.41 -1.24 -2.05 -3.31 115.58 116.27 1f6r h ASN 45 Ca -0.25 0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1f6r h ASN 45 Cb 0.81 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1f6r h ASN 45 CO 0.40 0.03 0.00 -0.90 -1.29 0.00 0.00 177.43 175.67 1f6r n ASP 46 N -5.05 0.41 -3.96 1.15 5.68 -1.26 -5.08 116.55 108.44 1f6r n ASP 46 Ca 0.19 -1.12 -0.08 0.00 -0.50 0.00 0.00 54.79 53.27 1f6r n ASP 46 Cb 0.55 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.45 1f6r n ASP 46 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1f6r s SER 47 N -0.12 0.27 -0.01 -1.12 1.04 -1.25 -4.89 113.70 107.62 1f6r s SER 47 Ca 0.00 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 1f6r s SER 47 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1f6r s SER 47 CO 0.00 -0.68 0.03 -0.89 0.98 0.00 0.00 173.24 172.68 1f6r s THR 48 N -3.89 0.01 -0.07 2.02 2.01 -1.26 -0.56 115.64 113.90 1f6r s THR 48 Ca 0.07 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1f6r s THR 48 Cb 0.06 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.46 1f6r s THR 48 CO -0.10 -0.06 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.10 1f6r s GLU 49 N -0.17 2.79 -0.03 4.92 8.01 0.77 -1.79 118.70 133.20 1f6r s GLU 49 Ca -0.02 -0.53 0.05 0.00 0.01 0.00 0.00 54.97 54.48 1f6r s GLU 49 Cb -0.01 -2.62 -0.01 0.00 -4.31 0.00 0.00 34.13 27.18 1f6r s GLU 49 CO -0.00 0.66 -0.19 0.71 0.01 0.00 0.00 175.26 176.45 1f6r s TYR 50 N -0.80 1.79 0.00 1.61 2.02 -0.06 -1.09 117.35 120.83 1f6r s TYR 50 Ca 0.12 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1f6r s TYR 50 Cb -0.11 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1f6r s TYR 50 CO 0.02 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1f6r n GLY 51 N 2.83 -1.11 0.31 0.71 0.00 0.12 -0.91 105.19 107.14 1f6r n GLY 51 Ca -0.16 -1.14 0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.74 0.99 5.85 -1.71 -0.49 115.31 118.53 1f6r h LEU 52 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1f6r h LEU 52 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1f6r h LEU 52 CO 0.00 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 1f6r n PHE 53 N -5.04 0.10 -3.76 1.25 3.72 -1.26 -3.84 117.46 108.62 1f6r n PHE 53 Ca 0.21 -0.05 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 1f6r n PHE 53 Cb 0.62 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.19 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 1.06 -1.30 -2.61 -1.08 1.13 -0.19 -4.91 117.38 109.47 1f6r n GLN 54 Ca 0.16 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.20 1f6r n GLN 54 Cb 0.53 -3.94 -0.03 0.00 0.11 0.00 0.00 30.24 26.91 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 -3.52 4.41 0.20 5.09 1.01 -0.09 -4.37 121.20 123.93 1f6r s ILE 55 Ca 0.43 1.83 -0.09 0.00 0.00 0.00 0.00 60.65 62.82 1f6r s ILE 55 Cb -0.17 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1f6r s ILE 55 CO 0.88 0.20 0.51 0.54 0.00 0.00 0.00 174.94 177.07 1f6r s ASN 56 N 0.62 6.62 0.00 3.58 2.20 -1.26 -0.88 114.94 125.82 1f6r s ASN 56 Ca 0.52 0.87 0.19 0.00 -0.94 0.00 0.00 52.86 53.50 1f6r s ASN 56 Cb -0.25 -2.21 1.13 0.00 -2.00 0.00 0.00 41.25 37.92 1f6r s ASN 56 CO 0.30 -0.03 1.72 -0.46 -2.94 0.00 0.00 177.10 175.69 1f6r n ASN 57 N 0.00 0.00 0.03 3.54 6.94 -0.74 -2.87 115.26 122.17 1f6r n ASN 57 Ca -0.01 -1.39 -0.05 0.00 -0.02 0.00 0.00 54.58 53.11 1f6r n ASN 57 Cb 0.52 0.00 -0.11 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 0.57 -0.82 -0.89 -1.08 0.00 0.00 179.45 177.23 1f6r n ILE 59 N -3.10 0.00 0.03 1.86 5.41 -1.24 -3.44 119.36 118.88 1f6r n ILE 59 Ca -0.09 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.61 1f6r n ILE 59 Cb 0.94 -1.20 -0.10 0.00 -0.71 0.00 0.00 39.64 38.57 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 0.00 -4.14 1.39 4.06 -1.82 0.11 115.95 115.55 1f6r h TRP 60 Ca 0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1f6r h TRP 60 Cb 0.82 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.84 1f6r h TRP 60 CO 0.00 0.84 -0.46 0.00 -3.56 0.00 0.00 178.44 175.26 1f6r s LYS 62 N -4.01 4.31 0.33 0.00 2.20 0.13 -4.51 119.74 118.18 1f6r s LYS 62 Ca 0.22 0.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1f6r s LYS 62 Cb 0.05 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 1f6r s LYS 62 CO 0.02 0.23 0.06 0.34 -0.36 0.00 0.00 175.35 175.63 1f6r s ASP 63 N 0.39 2.47 0.25 1.43 3.68 -1.23 -1.56 116.67 122.10 1f6r s ASP 63 Ca 0.27 -1.38 0.24 0.00 2.13 0.00 0.00 52.55 53.81 1f6r s ASP 63 Cb -0.16 -0.10 0.42 0.00 -1.45 0.00 0.00 42.92 41.63 1f6r s ASP 63 CO 0.12 -0.60 1.49 0.44 0.13 0.00 0.00 175.17 176.75 1f6r h ASP 64 N 2.09 0.00 0.17 -0.34 3.32 -1.99 -3.26 116.42 116.42 1f6r h ASP 64 Ca -0.41 -0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.33 1f6r h ASP 64 Cb 1.24 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.81 1f6r h ASP 64 CO 0.70 0.03 -1.22 -0.61 -1.72 0.00 0.00 179.24 176.42 1f6r h GLN 65 N 0.00 0.36 -2.96 3.56 4.15 -1.97 -3.42 115.11 114.83 1f6r h GLN 65 Ca 0.00 -0.62 -0.61 0.00 0.77 0.00 0.00 58.65 58.18 1f6r h GLN 65 Cb 0.86 0.23 -0.40 0.00 0.21 0.00 0.00 27.48 28.38 1f6r h GLN 65 CO 0.00 1.30 -0.72 -0.80 -1.93 0.00 0.00 178.83 176.68 1f6r s ASN 66 N -7.19 3.71 0.38 -0.69 0.01 -1.24 -4.94 114.94 104.98 1f6r s ASN 66 Ca -0.14 -3.11 0.20 0.00 -0.71 0.00 0.00 52.86 49.10 1f6r s ASN 66 Cb 0.03 -1.19 0.60 0.00 0.41 0.00 0.00 41.25 41.10 1f6r s ASN 66 CO 0.85 -0.19 1.69 -0.65 -1.51 0.00 0.00 177.10 177.29 1f6r h PRO 67 N 6.13 0.00 -0.81 -0.60 0.11 -1.82 -3.04 132.00 131.98 1f6r h PRO 67 Ca 0.07 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1f6r h PRO 67 Cb 0.87 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1f6r h PRO 67 CO 0.56 0.33 0.05 0.72 -0.21 0.00 0.00 178.00 179.46 1f6r n HIS 68 N -3.37 1.22 -1.88 0.65 8.25 -1.26 -4.95 115.22 113.88 1f6r n HIS 68 Ca 0.01 -0.52 -0.40 0.00 -0.26 0.00 0.00 57.72 56.55 1f6r n HIS 68 Cb 0.54 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.40 6.06 0.55 0.41 0.15 -1.15 -4.86 113.70 114.47 1f6r s SER 69 Ca 0.30 2.85 0.25 0.00 0.70 0.00 0.00 55.95 60.05 1f6r s SER 69 Cb 0.23 -2.65 1.59 0.00 -1.71 0.00 0.00 66.02 63.48 1f6r s SER 69 CO 0.08 -1.04 2.19 0.77 1.20 0.00 0.00 173.24 176.44 1f6r h SER 70 N 2.51 0.00 -6.41 5.45 4.64 -1.68 -3.46 113.55 114.60 1f6r h SER 70 Ca -0.50 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.33 1f6r h SER 70 Cb 1.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1f6r h SER 70 CO 0.62 0.03 -0.84 -3.20 -0.87 0.00 0.00 176.83 172.57 1f6r n ASN 71 N -3.99 -1.87 -0.31 4.97 5.15 0.16 -4.86 115.26 114.51 1f6r n ASN 71 Ca -0.03 -0.92 0.16 0.00 -0.60 0.00 0.00 54.58 53.19 1f6r n ASN 71 Cb 0.12 -3.39 0.34 0.00 -0.53 0.00 0.00 39.78 36.32 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 -1.84 0.39 -0.02 -1.44 1.08 -1.01 0.41 117.51 115.08 1f6r h ILE 72 Ca -0.61 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1f6r h ILE 72 Cb 1.37 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1f6r h ILE 72 CO 0.65 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 178.17 1f6r n ASN 74 N -0.68 -4.76 -3.47 0.00 4.05 0.14 -4.97 115.26 105.58 1f6r n ASN 74 Ca 0.16 -1.06 -0.14 0.00 0.45 0.00 0.00 54.58 53.99 1f6r n ASN 74 Cb 0.11 -1.96 -0.04 0.00 1.23 0.00 0.00 39.78 39.12 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 -3.23 0.00 0.07 -1.44 2.07 -1.26 -5.06 121.20 112.35 1f6r s ILE 75 Ca 0.22 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.22 1f6r s ILE 75 Cb -0.12 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.41 1f6r s ILE 75 CO 0.92 0.00 0.73 -0.94 -1.91 0.00 0.00 174.94 173.73 1f6r s SER 76 N -2.05 7.21 0.48 4.50 1.04 -1.26 -0.69 113.70 122.92 1f6r s SER 76 Ca -0.03 1.44 0.28 0.00 0.48 0.00 0.00 55.95 58.11 1f6r s SER 76 Cb -0.01 -2.45 1.34 0.00 0.10 0.00 0.00 66.02 65.00 1f6r s SER 76 CO -0.03 0.09 1.81 0.00 0.98 0.00 0.00 173.24 176.08 1f6r n ASP 78 N -4.39 0.43 0.00 0.00 3.85 -1.26 -1.45 116.55 113.73 1f6r n ASP 78 Ca 0.24 0.62 0.05 0.00 -0.71 0.00 0.00 54.79 55.00 1f6r n ASP 78 Cb 1.03 -0.71 0.23 0.00 -1.35 0.00 0.00 41.12 40.32 1f6r n ASP 78 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1f6r n LYS 79 N -2.00 0.03 -0.04 0.11 4.76 -0.60 -1.63 118.16 118.80 1f6r n LYS 79 Ca 0.02 0.30 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 1f6r n LYS 79 Cb 0.17 -1.50 0.35 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.45 0.10 0.88 2.13 0.99 -0.53 -4.12 117.46 115.46 1f6r n PHE 80 Ca 0.03 -0.05 0.10 0.00 -0.00 0.00 0.00 57.45 57.53 1f6r n PHE 80 Cb 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 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 0.65 1.63 -4.94 4.37 4.77 -0.65 -4.00 117.00 118.83 1f6r n LEU 81 Ca 0.17 -0.70 -0.29 0.00 -0.03 0.00 0.00 56.01 55.17 1f6r n LEU 81 Cb 0.44 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 1f6r n LEU 81 CO 0.15 0.32 0.81 1.51 -1.33 0.00 0.00 177.39 178.85 1f6r s ASP 82 N -2.37 3.50 0.22 -1.43 1.47 -1.26 -4.33 116.67 112.48 1f6r s ASP 82 Ca 0.14 0.23 0.25 0.00 1.18 0.00 0.00 52.55 54.35 1f6r s ASP 82 Cb 0.15 -0.39 0.55 0.00 -0.34 0.00 0.00 42.92 42.90 1f6r s ASP 82 CO 0.57 -2.48 1.58 0.44 0.68 0.00 0.00 175.17 175.95 1f6r h ASP 83 N -1.38 0.00 -3.41 2.11 3.32 -1.93 -3.43 116.42 111.70 1f6r h ASP 83 Ca -0.43 -0.06 -0.58 0.00 0.02 0.00 0.00 57.03 55.97 1f6r h ASP 83 Cb 1.25 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.71 1f6r h ASP 83 CO 0.42 0.03 0.74 -0.62 -1.72 0.00 0.00 179.24 178.09 1f6r s ASP 84 N -4.79 6.46 0.00 6.45 2.15 -1.26 -4.90 116.67 120.78 1f6r s ASP 84 Ca 0.08 0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.10 1f6r s ASP 84 Cb 0.11 -2.49 0.05 0.00 -0.30 0.00 0.00 42.92 40.29 1f6r s ASP 84 CO 0.66 -1.25 1.02 0.18 -0.17 0.00 0.00 175.17 175.60 1f6r n LEU 85 N 7.72 0.00 -0.15 -1.34 4.77 -1.26 -4.12 117.00 122.61 1f6r n LEU 85 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1f6r n LEU 85 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1f6r n LEU 85 CO 0.67 0.00 0.96 0.74 -1.33 0.00 0.00 177.39 178.43 1f6r h THR 86 N 0.00 1.19 0.13 -5.08 2.02 -1.95 -1.46 112.91 107.75 1f6r h THR 86 Ca 0.00 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1f6r h THR 86 Cb 0.00 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1f6r h THR 86 CO 0.00 0.20 -0.06 0.44 0.37 0.00 0.00 175.52 176.47 1f6r h ASP 87 N 0.57 -0.15 -0.48 4.18 5.19 -1.88 -2.33 116.42 121.52 1f6r h ASP 87 Ca 0.15 -0.06 0.09 0.00 -0.62 0.00 0.00 57.03 56.59 1f6r h ASP 87 Cb 0.13 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.60 1f6r h ASP 87 CO -0.02 -0.03 0.00 0.44 -3.12 0.00 0.00 179.24 176.52 1f6r h ASP 88 N -0.25 -0.20 -0.66 6.45 5.19 -1.79 -1.44 116.42 123.72 1f6r h ASP 88 Ca -0.02 0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1f6r h ASP 88 Cb 0.20 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1f6r h ASP 88 CO 0.03 -0.06 0.14 0.40 -3.12 0.00 0.00 179.24 176.63 1f6r h ILE 89 N 0.12 1.26 -0.79 0.35 2.04 -1.22 0.20 117.51 119.46 1f6r h ILE 89 Ca 0.24 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1f6r h ILE 89 Cb 0.36 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1f6r h ILE 89 CO -0.40 0.37 0.40 -0.03 0.00 0.00 0.00 178.15 178.49 1f6r h MET 90 N 1.02 1.13 -0.22 2.37 4.05 -0.86 -1.15 114.93 121.28 1f6r h MET 90 Ca 0.21 -0.16 -0.16 0.00 -0.28 0.00 0.00 59.70 59.31 1f6r h MET 90 Cb 0.39 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1f6r h MET 90 CO 0.01 0.87 -0.51 0.00 0.23 0.00 0.00 176.91 177.51 1f6r h VAL 92 N 0.45 1.11 -0.40 0.00 2.07 -0.31 -0.25 116.25 118.92 1f6r h VAL 92 Ca -0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1f6r h VAL 92 Cb 1.12 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1f6r h VAL 92 CO 0.11 0.11 -0.01 0.11 0.02 0.00 0.00 177.57 177.92 1f6r h LYS 93 N 0.52 0.65 0.13 1.57 1.57 -1.11 0.05 116.57 119.96 1f6r h LYS 93 Ca 0.14 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1f6r h LYS 93 Cb -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1f6r h LYS 93 CO -0.03 0.67 -0.06 0.87 -0.57 0.00 0.00 179.45 180.33 1f6r h LYS 94 N 0.61 -0.17 -0.86 3.15 1.79 -1.00 -0.20 116.57 119.90 1f6r h LYS 94 Ca 0.12 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1f6r h LYS 94 Cb 0.40 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 1f6r h LYS 94 CO 0.02 0.04 0.53 0.82 -1.08 0.00 0.00 179.45 179.77 1f6r h ILE 95 N -0.36 1.05 -0.42 1.86 2.04 -0.83 0.76 117.51 121.62 1f6r h ILE 95 Ca -0.02 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1f6r h ILE 95 Cb 0.29 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1f6r h ILE 95 CO 0.03 0.18 0.20 -0.07 0.00 0.00 0.00 178.15 178.49 1f6r h LEU 96 N 0.98 0.54 -0.58 1.44 3.38 -0.73 0.12 115.31 120.45 1f6r h LEU 96 Ca 0.37 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1f6r h LEU 96 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1f6r h LEU 96 CO -0.17 0.51 0.30 0.44 0.09 0.00 0.00 178.44 179.62 1f6r h ASP 97 N 0.53 0.74 0.23 -0.43 3.32 -0.29 -2.06 116.42 118.46 1f6r h ASP 97 Ca 0.14 -0.11 -0.33 0.00 0.02 0.00 0.00 57.03 56.76 1f6r h ASP 97 Cb 0.11 -0.19 0.04 0.00 0.22 0.00 0.00 39.33 39.51 1f6r h ASP 97 CO -0.02 0.64 -1.42 0.11 -1.72 0.00 0.00 179.24 176.83 1f6r h LYS 98 N 0.79 0.56 0.00 3.56 1.79 -0.60 -3.43 116.57 119.24 1f6r h LYS 98 Ca 0.20 -0.91 0.00 0.00 -2.18 0.00 0.00 60.65 57.77 1f6r h LYS 98 Cb 0.07 0.33 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1f6r h LYS 98 CO -0.03 1.43 -0.98 0.28 -1.08 0.00 0.00 179.45 179.07 1f6r n VAL 99 N -3.75 0.00 0.00 0.50 0.31 0.36 -5.09 118.33 110.66 1f6r n VAL 99 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1f6r n VAL 99 Cb 1.08 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 3.27 2.62 0.26 2.92 0.00 -0.77 -4.79 105.19 108.69 1f6r n GLY 100 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 1.15 0.00 -0.61 6.09 -1.87 -2.07 117.51 120.20 1f6r h ILE 101 Ca 0.00 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1f6r h ILE 101 Cb 0.00 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1f6r h ILE 101 CO 0.00 0.20 0.00 0.59 -3.07 0.00 0.00 178.15 175.87 1f6r n ASN 102 N -4.34 0.39 0.18 2.19 3.02 -1.26 -1.94 115.26 113.49 1f6r n ASN 102 Ca -0.00 -1.61 0.02 0.00 -0.03 0.00 0.00 54.58 52.96 1f6r n ASN 102 Cb 0.21 -0.20 0.32 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.10 0.00 -3.47 3.10 3.20 -1.68 -3.37 116.97 114.86 1f6r h TYR 103 Ca 0.00 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.21 1f6r h TYR 103 Cb 0.20 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.30 1f6r h TYR 103 CO 0.00 0.43 0.10 -1.58 -1.64 0.00 0.00 178.16 175.47 1f6r s TRP 104 N -3.98 3.05 0.58 -3.82 0.51 -0.82 -4.93 118.94 109.53 1f6r s TRP 104 Ca -0.02 -0.22 0.28 0.00 -2.12 0.00 0.00 56.10 54.02 1f6r s TRP 104 Cb 0.14 -3.41 1.70 0.00 -0.81 0.00 0.00 33.47 31.08 1f6r s TRP 104 CO 0.73 -0.93 2.19 -0.07 -0.51 0.00 0.00 176.95 178.35 1f6r h LEU 105 N 9.73 0.00 -1.29 2.99 3.38 -1.87 -0.24 115.31 128.00 1f6r h LEU 105 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1f6r h LEU 105 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1f6r h LEU 105 CO 0.92 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 179.11 1f6r h ALA 106 N 1.92 1.41 0.07 1.53 0.00 -1.93 -0.95 119.26 121.31 1f6r h ALA 106 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1f6r h ALA 106 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f6r h ALA 106 CO -0.00 0.44 -0.03 1.25 0.00 0.00 0.00 179.25 180.90 1f6r h HIS 107 N 0.03 -0.09 -0.28 0.00 -0.00 -1.34 0.70 115.15 114.17 1f6r h HIS 107 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1f6r h HIS 107 Cb 0.61 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1f6r h HIS 107 CO 0.00 0.17 0.07 -0.22 -0.00 0.00 0.00 177.93 177.94 1f6r h LYS 108 N -0.34 0.46 -0.41 5.26 1.63 -1.59 0.30 116.57 121.87 1f6r h LYS 108 Ca -0.01 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.58 1f6r h LYS 108 Cb 0.30 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1f6r h LYS 108 CO 0.02 0.54 -0.12 0.00 -3.45 0.00 0.00 179.45 176.44 1f6r h ALA 109 N 0.89 0.57 0.00 5.00 0.00 -1.15 -3.41 119.26 121.16 1f6r h ALA 109 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1f6r h ALA 109 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f6r h ALA 109 CO 0.00 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1f6r n LEU 110 N -4.30 0.13 -0.44 0.00 4.77 0.20 -4.90 117.00 112.47 1f6r n LEU 110 Ca -0.01 -0.27 0.07 0.00 -0.03 0.00 0.00 56.01 55.77 1f6r n LEU 110 Cb 0.38 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.63 1f6r n LEU 110 CO 0.43 0.03 0.42 0.00 -1.33 0.00 0.00 177.39 176.95 1f6r n SER 112 N -1.11 1.71 -3.82 0.00 7.64 -0.81 -4.59 113.62 112.65 1f6r n SER 112 Ca 0.16 -1.36 -0.08 0.00 1.01 0.00 0.00 58.87 58.61 1f6r n SER 112 Cb 0.70 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 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 -1.62 1.74 -1.31 1.43 -1.05 -1.26 -4.95 118.70 111.69 1f6r s GLU 113 Ca 0.13 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 53.80 1f6r s GLU 113 Cb 0.12 0.56 -0.00 0.00 -0.44 0.00 0.00 34.13 34.36 1f6r s GLU 113 CO 0.32 -0.77 0.66 1.63 0.95 0.00 0.00 175.26 178.04 1f6r n LYS 114 N -0.44 -4.49 0.00 -4.83 5.02 -1.26 -4.88 118.16 107.28 1f6r n LYS 114 Ca -0.03 0.59 0.15 0.00 -2.02 0.00 0.00 58.31 56.99 1f6r n LYS 114 Cb 0.60 -5.05 0.72 0.00 -0.02 0.00 0.00 35.03 31.28 1f6r n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1f6r n LEU 115 N -4.27 0.76 -0.31 -0.35 4.77 -1.26 -4.41 117.00 111.94 1f6r n LEU 115 Ca -0.29 -0.24 0.02 0.00 -0.03 0.00 0.00 56.01 55.47 1f6r n LEU 115 Cb 0.68 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.92 1f6r n LEU 115 CO 0.69 0.13 1.17 -0.78 -1.33 0.00 0.00 177.39 177.27 1f6r h ASP 116 N 1.19 0.78 0.62 -1.43 1.82 -1.99 -1.83 116.42 115.58 1f6r h ASP 116 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1f6r h ASP 116 Cb 0.27 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1f6r h ASP 116 CO 0.00 0.47 0.00 0.00 -1.61 0.00 0.00 179.24 178.10 1f6r n GLN 117 N -4.67 0.14 -0.12 0.28 10.64 -1.26 -2.11 117.38 120.27 1f6r n GLN 117 Ca 0.14 0.39 0.12 0.00 -1.83 0.00 0.00 57.00 55.81 1f6r n GLN 117 Cb 0.24 -1.77 0.27 0.00 -0.86 0.00 0.00 30.24 28.12 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 -2.03 0.32 -2.73 2.61 7.02 -0.69 -4.90 117.44 117.05 1f6r n TRP 118 Ca 0.02 -0.16 -0.34 0.00 -1.02 0.00 0.00 57.50 56.01 1f6r n TRP 118 Cb 0.20 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.03 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 -1.61 3.95 -0.20 -0.99 1.43 -0.90 -4.56 118.68 115.80 1f6r s LEU 119 Ca 0.35 1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1f6r s LEU 119 Cb 0.21 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.99 1f6r s LEU 119 CO 0.30 -0.47 0.05 0.00 0.23 0.00 0.00 176.35 176.46