#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9r h LYS 20 N 0.00 0.00 0.00 1.96 1.57 -2.00 0.13 116.57 118.23 1n9r h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n9r h LYS 20 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n9r h LYS 20 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1n9r n GLY 21 N -1.31 -0.90 0.23 3.86 0.00 -1.26 -2.88 105.19 102.94 1n9r n GLY 21 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1n9r n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n9r n LEU 22 N -1.37 1.24 -4.54 0.99 4.77 0.45 -4.93 117.00 113.61 1n9r n LEU 22 Ca 0.06 -0.78 -0.44 0.00 -0.03 0.00 0.00 56.01 54.82 1n9r n LEU 22 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1n9r n LEU 22 CO 0.13 0.25 0.38 0.52 -1.33 0.00 0.00 177.39 177.34 1n9r n VAL 23 N -0.21 2.00 -1.07 4.08 0.31 -1.14 -1.45 118.33 120.86 1n9r n VAL 23 Ca 0.04 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1n9r n VAL 23 Cb 0.21 -0.77 -0.01 0.00 -0.91 0.00 0.00 33.84 32.36 1n9r n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n9r n ASN 24 N 1.28 -5.64 -4.86 4.52 3.02 0.11 -4.97 115.26 108.72 1n9r n ASN 24 Ca 0.11 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.48 1n9r n ASN 24 Cb 0.33 -3.35 -0.04 0.00 -0.61 0.00 0.00 39.78 36.11 1n9r n ASN 24 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1n9r s HIS 25 N -1.30 3.24 -0.15 3.10 3.76 -0.53 -4.86 115.29 118.54 1n9r s HIS 25 Ca 0.00 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 1n9r s HIS 25 Cb 0.00 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.18 1n9r s HIS 25 CO 0.00 0.51 1.02 1.03 -0.85 0.00 0.00 174.74 176.45 1n9r s ARG 26 N -3.48 4.36 0.34 1.40 0.52 -1.26 -1.32 118.95 119.50 1n9r s ARG 26 Ca 0.33 1.37 0.04 0.00 -0.52 0.00 0.00 55.73 56.95 1n9r s ARG 26 Cb -0.09 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1n9r s ARG 26 CO 0.26 -0.44 0.14 0.14 0.02 0.00 0.00 175.30 175.42 1n9r s VAL 27 N 2.47 0.49 -0.04 3.52 -7.23 0.10 -0.85 120.40 118.87 1n9r s VAL 27 Ca 0.47 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1n9r s VAL 27 Cb -0.17 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1n9r s VAL 27 CO 0.13 0.00 -0.02 -0.83 -0.31 0.00 0.00 175.10 174.07 1n9r s GLY 28 N -3.45 0.33 -0.21 2.32 0.00 0.67 -2.20 107.32 104.78 1n9r s GLY 28 Ca 0.33 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.07 1n9r s GLY 28 CO 0.17 0.52 -0.02 0.14 0.00 0.00 0.00 173.10 173.91 1n9r s VAL 29 N 0.96 3.64 -0.13 1.40 1.01 0.12 -1.42 120.40 125.99 1n9r s VAL 29 Ca -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1n9r s VAL 29 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1n9r s VAL 29 CO -0.01 0.42 0.06 -0.75 0.00 0.00 0.00 175.10 174.82 1n9r s LYS 30 N 1.29 3.47 0.56 2.72 2.47 -0.37 -0.17 119.74 129.71 1n9r s LYS 30 Ca 0.04 -0.31 0.01 0.00 -1.56 0.00 0.00 55.97 54.15 1n9r s LYS 30 Cb -0.14 -3.05 0.04 0.00 -1.46 0.00 0.00 37.83 33.21 1n9r s LYS 30 CO -0.00 0.56 0.78 -0.51 0.16 0.00 0.00 175.35 176.34 1n9r s LEU 31 N -0.46 3.27 0.06 5.43 1.43 -1.18 0.60 118.68 127.83 1n9r s LEU 31 Ca 0.10 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 1n9r s LEU 31 Cb -0.12 -2.81 -0.15 0.00 0.03 0.00 0.00 46.19 43.15 1n9r s LEU 31 CO 0.02 -1.17 1.30 0.11 0.23 0.00 0.00 176.35 176.84 1n9r h LYS 32 N 0.06 0.59 -6.21 1.70 1.57 -1.05 -3.38 116.57 109.84 1n9r h LYS 32 Ca -0.42 -0.41 -0.48 0.00 -1.87 0.00 0.00 60.65 57.48 1n9r h LYS 32 Cb 1.29 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1n9r h LYS 32 CO 0.51 1.02 -0.40 -0.59 -0.57 0.00 0.00 179.45 179.43 1n9r s PHE 33 N -3.94 3.46 0.00 -1.35 -0.12 -1.26 -4.92 117.98 109.85 1n9r s PHE 33 Ca -0.13 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 1n9r s PHE 33 Cb 0.07 -1.65 0.00 0.00 -0.63 0.00 0.00 43.02 40.81 1n9r s PHE 33 CO 0.83 0.41 0.00 0.09 -0.05 0.00 0.00 175.22 176.49 1n9r n ASN 34 N -1.27 0.00 -2.94 1.98 3.02 -1.26 -4.07 115.26 110.72 1n9r n ASN 34 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.33 1n9r n ASN 34 Cb 0.56 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.75 1n9r n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n9r n SER 35 N 0.96 -1.30 -4.71 6.41 3.41 -1.26 -5.02 113.62 112.10 1n9r n SER 35 Ca 0.00 -3.19 -0.34 0.00 -0.26 0.00 0.00 58.87 55.08 1n9r n SER 35 Cb 0.00 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 64.64 1n9r n SER 35 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n9r s THR 36 N -0.46 4.38 -0.06 6.66 2.01 -1.26 -1.66 115.64 125.25 1n9r s THR 36 Ca 0.32 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1n9r s THR 36 Cb 0.25 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1n9r s THR 36 CO -0.14 0.50 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.51 1n9r s GLU 37 N -1.22 1.34 -0.16 4.92 2.12 0.21 -3.12 118.70 122.79 1n9r s GLU 37 Ca 0.17 -0.27 -0.16 0.00 0.36 0.00 0.00 54.97 55.06 1n9r s GLU 37 Cb -0.11 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 1n9r s GLU 37 CO 0.06 -0.05 0.41 0.71 -0.54 0.00 0.00 175.26 175.86 1n9r s TYR 38 N 0.89 3.44 -0.05 5.30 1.51 0.75 -0.97 117.35 128.23 1n9r s TYR 38 Ca -0.11 0.72 0.03 0.00 -1.01 0.00 0.00 57.07 56.71 1n9r s TYR 38 Cb -0.15 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1n9r s TYR 38 CO 0.01 0.10 -0.13 1.03 -1.11 0.00 0.00 175.55 175.45 1n9r s ARG 39 N 0.89 2.54 0.00 -0.62 0.52 -0.74 0.11 118.95 121.65 1n9r s ARG 39 Ca 0.21 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1n9r s ARG 39 Cb -0.14 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1n9r s ARG 39 CO 0.08 0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.44 1n9r n GLY 40 N 2.30 -1.05 3.80 -3.53 0.00 -0.93 -0.24 105.19 105.53 1n9r n GLY 40 Ca -0.17 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1n9r n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9r s THR 41 N -3.00 5.30 -0.63 2.61 2.01 -0.27 -0.72 115.64 120.94 1n9r s THR 41 Ca 0.00 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 1n9r s THR 41 Cb 0.00 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1n9r s THR 41 CO 0.00 0.50 1.26 -0.22 -0.69 0.00 0.00 174.62 175.47 1n9r s LEU 42 N -0.32 3.35 -0.05 4.42 2.96 -0.43 -1.18 118.68 127.42 1n9r s LEU 42 Ca 0.17 -0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 53.79 1n9r s LEU 42 Cb -0.13 -2.95 -0.23 0.00 0.50 0.00 0.00 46.19 43.38 1n9r s LEU 42 CO 0.06 -1.64 1.05 0.58 -1.32 0.00 0.00 176.35 175.08 1n9r h VAL 43 N 6.15 1.54 -2.86 1.68 2.07 -1.71 0.31 116.25 123.43 1n9r h VAL 43 Ca -0.26 -1.85 0.08 0.00 0.82 0.00 0.00 66.70 65.49 1n9r h VAL 43 Cb 1.06 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 33.49 1n9r h VAL 43 CO 1.22 0.50 0.30 -0.94 0.02 0.00 0.00 177.57 178.66 1n9r s SER 44 N -6.21 -0.20 0.06 0.57 1.04 -1.24 -4.63 113.70 103.08 1n9r s SER 44 Ca -0.16 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 1n9r s SER 44 Cb 0.01 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1n9r s SER 44 CO 0.73 -1.29 0.31 1.07 0.98 0.00 0.00 173.24 175.03 1n9r n THR 45 N -0.48 0.00 -3.55 2.02 5.66 -1.26 -1.86 114.28 114.81 1n9r n THR 45 Ca -0.05 -0.19 -0.14 0.00 -3.05 0.00 0.00 64.05 60.62 1n9r n THR 45 Cb 0.59 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.56 1n9r n THR 45 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1n9r s ASP 46 N -1.73 -0.53 0.06 1.09 -4.77 -1.18 -4.96 116.67 104.64 1n9r s ASP 46 Ca 0.07 0.61 -0.02 0.00 -3.30 0.00 0.00 52.55 49.91 1n9r s ASP 46 Cb -0.01 0.47 0.10 0.00 -1.09 0.00 0.00 42.92 42.39 1n9r s ASP 46 CO 0.02 -0.47 0.33 0.59 0.70 0.00 0.00 175.17 176.34 1n9r n ASN 47 N 0.92 -0.07 0.00 2.11 3.02 -1.26 0.30 115.26 120.27 1n9r n ASN 47 Ca -0.15 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1n9r n ASN 47 Cb 0.57 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1n9r n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9r n TYR 48 N -4.34 0.00 -2.16 3.10 4.02 -1.26 -4.74 117.16 111.79 1n9r n TYR 48 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.74 1n9r n TYR 48 Cb 0.11 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1n9r n TYR 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1n9r n PHE 49 N -0.96 -0.82 -3.20 -0.72 3.01 0.88 -4.41 117.46 111.24 1n9r n PHE 49 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1n9r n PHE 49 Cb 0.02 -3.55 -0.06 0.00 -0.01 0.00 0.00 39.48 35.88 1n9r n PHE 49 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1n9r s ASN 50 N -2.20 6.67 0.04 4.37 0.01 -1.23 -3.06 114.94 119.54 1n9r s ASN 50 Ca 0.00 0.80 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1n9r s ASN 50 Cb 0.00 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1n9r s ASN 50 CO 0.00 -0.16 -0.08 -1.48 -1.51 0.00 0.00 177.10 173.87 1n9r s LEU 51 N 1.40 2.27 -0.18 0.60 0.05 -0.80 -3.10 118.68 118.93 1n9r s LEU 51 Ca 0.27 -0.57 -0.06 0.00 0.05 0.00 0.00 54.13 53.82 1n9r s LEU 51 Cb -0.16 -0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 43.80 1n9r s LEU 51 CO 0.11 -0.22 0.02 -1.58 -0.55 0.00 0.00 176.35 174.13 1n9r s GLN 52 N -1.71 3.84 -0.05 1.48 0.74 -0.78 -1.08 119.66 122.09 1n9r s GLN 52 Ca -0.09 -0.42 0.04 0.00 0.05 0.00 0.00 55.36 54.94 1n9r s GLN 52 Cb -0.09 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.92 1n9r s GLN 52 CO 0.00 0.23 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.63 1n9r s LEU 53 N 0.45 1.88 -0.05 3.68 2.96 0.15 -1.84 118.68 125.91 1n9r s LEU 53 Ca 0.00 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1n9r s LEU 53 Cb -0.13 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1n9r s LEU 53 CO 0.01 0.13 -0.09 0.21 -1.32 0.00 0.00 176.35 175.30 1n9r s ASN 54 N 0.21 4.48 -1.45 3.68 3.84 -0.33 -0.64 114.94 124.73 1n9r s ASN 54 Ca -0.08 -0.09 -0.09 0.00 0.21 0.00 0.00 52.86 52.81 1n9r s ASN 54 Cb -0.13 -1.06 0.05 0.00 -0.55 0.00 0.00 41.25 39.56 1n9r s ASN 54 CO 0.03 0.34 0.89 -0.62 -2.79 0.00 0.00 177.10 174.95 1n9r n GLU 55 N 2.09 -5.42 -2.44 0.43 1.02 -0.94 -1.11 120.64 114.26 1n9r n GLU 55 Ca -0.17 0.61 -0.34 0.00 -0.02 0.00 0.00 57.16 57.24 1n9r n GLU 55 Cb 0.53 -5.39 -0.02 0.00 -0.02 0.00 0.00 31.44 26.53 1n9r n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9r s ALA 56 N -3.44 2.84 -0.03 0.62 0.00 -0.41 -4.52 121.76 116.82 1n9r s ALA 56 Ca 0.43 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1n9r s ALA 56 Cb -0.21 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1n9r s ALA 56 CO 0.82 -0.43 0.01 -2.00 0.00 0.00 0.00 175.76 174.16 1n9r s GLU 57 N -3.37 0.28 -0.11 0.00 2.12 0.67 -0.58 118.70 117.70 1n9r s GLU 57 Ca 0.67 0.10 -0.27 0.00 0.36 0.00 0.00 54.97 55.83 1n9r s GLU 57 Cb -0.17 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 33.71 1n9r s GLU 57 CO 0.23 -0.16 0.91 -2.00 -0.54 0.00 0.00 175.26 173.70 1n9r s GLU 58 N 1.13 4.39 -0.13 4.30 2.12 0.32 -1.80 118.70 129.03 1n9r s GLU 58 Ca -0.08 1.20 0.01 0.00 0.36 0.00 0.00 54.97 56.46 1n9r s GLU 58 Cb -0.13 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1n9r s GLU 58 CO -0.02 -0.25 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.22 1n9r s PHE 59 N 1.83 2.74 -0.15 5.30 0.40 -0.15 0.55 117.98 128.50 1n9r s PHE 59 Ca 0.44 -0.92 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1n9r s PHE 59 Cb -0.18 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.53 1n9r s PHE 59 CO 0.17 -0.38 -0.21 0.08 0.70 0.00 0.00 175.22 175.58 1n9r s VAL 60 N 0.55 2.14 -1.09 -0.44 1.01 -0.58 0.66 120.40 122.65 1n9r s VAL 60 Ca -0.10 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1n9r s VAL 60 Cb -0.16 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1n9r s VAL 60 CO 0.04 0.54 0.37 0.00 0.00 0.00 0.00 175.10 176.05 1n9r n ALA 61 N 4.13 -1.07 -0.62 5.51 0.00 -0.66 -0.73 120.51 127.05 1n9r n ALA 61 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1n9r n ALA 61 Cb 0.51 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1n9r n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9r n GLY 62 N -0.94 0.76 3.41 0.00 0.00 -1.26 -5.04 105.19 102.12 1n9r n GLY 62 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1n9r n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n9r s VAL 63 N -2.76 2.87 0.19 1.61 1.01 0.09 -5.06 120.40 118.35 1n9r s VAL 63 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1n9r s VAL 63 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 1n9r s VAL 63 CO 0.00 0.57 1.33 -0.55 0.00 0.00 0.00 175.10 176.45 1n9r s SER 64 N -0.34 6.86 -0.21 3.32 0.15 -1.26 -1.52 113.70 120.70 1n9r s SER 64 Ca 0.03 2.41 0.12 0.00 0.70 0.00 0.00 55.95 59.21 1n9r s SER 64 Cb -0.13 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 61.99 1n9r s SER 64 CO 0.02 -0.56 1.25 1.41 1.20 0.00 0.00 173.24 176.57 1n9r n HIS 65 N 2.78 0.19 0.00 3.44 8.25 0.19 -4.93 115.22 125.15 1n9r n HIS 65 Ca 0.07 -1.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 1n9r n HIS 65 Cb 0.42 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1n9r n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9r n GLY 66 N -1.15 2.35 3.37 -1.41 0.00 -1.24 -4.74 105.19 102.37 1n9r n GLY 66 Ca 0.21 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1n9r n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9r s THR 67 N -1.86 3.01 0.48 2.61 2.01 -1.26 -0.52 115.64 120.09 1n9r s THR 67 Ca 0.00 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1n9r s THR 67 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.28 1n9r s THR 67 CO 0.00 0.53 0.58 -0.76 -0.69 0.00 0.00 174.62 174.28 1n9r s LEU 68 N 0.33 3.36 0.00 4.42 1.43 0.25 -4.95 118.68 123.53 1n9r s LEU 68 Ca -0.11 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1n9r s LEU 68 Cb -0.16 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1n9r s LEU 68 CO 0.06 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1n9r n GLY 69 N -1.90 1.80 3.77 -3.19 0.00 -1.26 -3.88 105.19 100.52 1n9r n GLY 69 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1n9r n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9r s GLU 70 N 0.11 4.00 0.07 1.61 0.41 -1.26 -1.29 118.70 122.35 1n9r s GLU 70 Ca 0.00 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.43 1n9r s GLU 70 Cb 0.00 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 1n9r s GLU 70 CO 0.00 0.42 -0.13 0.96 -0.49 0.00 0.00 175.26 176.02 1n9r s ILE 71 N -0.01 1.02 -0.27 -1.63 -4.36 0.18 -4.97 121.20 111.17 1n9r s ILE 71 Ca 0.10 -1.27 -0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1n9r s ILE 71 Cb -0.11 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.61 1n9r s ILE 71 CO -0.00 -0.25 -0.00 -0.36 0.24 0.00 0.00 174.94 174.56 1n9r s PHE 72 N -1.30 3.10 -0.01 1.37 0.40 -1.26 0.34 117.98 120.61 1n9r s PHE 72 Ca -0.03 -1.29 0.01 0.00 -0.60 0.00 0.00 56.93 55.02 1n9r s PHE 72 Cb -0.10 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1n9r s PHE 72 CO 0.02 -0.66 -0.00 0.42 0.70 0.00 0.00 175.22 175.70 1n9r s ILE 73 N 1.40 4.13 -0.12 0.64 1.01 -0.24 -4.98 121.20 123.03 1n9r s ILE 73 Ca 0.01 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1n9r s ILE 73 Cb -0.17 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1n9r s ILE 73 CO -0.01 0.40 0.39 -0.13 0.00 0.00 0.00 174.94 175.58 1n9r s ARG 74 N -1.48 4.25 0.12 2.79 1.81 -1.26 -1.90 118.95 123.29 1n9r s ARG 74 Ca 0.19 0.29 -0.24 0.00 -1.72 0.00 0.00 55.73 54.25 1n9r s ARG 74 Cb -0.11 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 30.93 1n9r s ARG 74 CO 0.09 0.25 1.23 0.00 -0.68 0.00 0.00 175.30 176.20 1n9r h ASN 76 N 0.00 0.30 0.32 0.00 -0.26 -1.88 0.76 115.58 114.82 1n9r h ASN 76 Ca 0.12 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1n9r h ASN 76 Cb 0.31 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1n9r h ASN 76 CO -0.72 -0.36 0.00 0.59 -1.06 0.00 0.00 177.43 175.88 1n9r n ASN 77 N -5.09 0.00 -4.71 5.81 3.02 -0.96 -4.84 115.26 108.49 1n9r n ASN 77 Ca 0.38 -0.47 -0.38 0.00 -0.03 0.00 0.00 54.58 54.09 1n9r n ASN 77 Cb 1.34 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 40.27 1n9r n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n9r s VAL 78 N -2.34 5.22 -0.16 2.41 1.01 0.26 -0.45 120.40 126.35 1n9r s VAL 78 Ca 0.35 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 1n9r s VAL 78 Cb 0.20 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1n9r s VAL 78 CO 0.41 0.33 -0.02 0.25 0.00 0.00 0.00 175.10 176.06 1n9r h LEU 79 N 6.88 0.00 -7.84 3.92 5.85 -0.03 -3.43 115.31 120.65 1n9r h LEU 79 Ca -0.40 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1n9r h LEU 79 Cb 1.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1n9r h LEU 79 CO 0.75 0.99 0.04 -0.72 -0.34 0.00 0.00 178.44 179.16 1n9r s TYR 80 N -2.25 -0.04 -0.02 1.25 -0.85 -1.12 -5.02 117.35 109.30 1n9r s TYR 80 Ca -0.19 -0.33 0.07 0.00 -0.52 0.00 0.00 57.07 56.10 1n9r s TYR 80 Cb 0.03 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 1n9r s TYR 80 CO 0.34 -0.99 -0.23 0.42 -1.52 0.00 0.00 175.55 173.56 1n9r s ILE 81 N -3.91 1.85 0.09 -3.49 1.01 -1.26 -1.23 121.20 114.26 1n9r s ILE 81 Ca 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1n9r s ILE 81 Cb -0.02 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1n9r s ILE 81 CO 0.01 0.52 -0.07 0.00 0.00 0.00 0.00 174.94 175.41 1n9r s ARG 82 N -0.49 0.81 -0.22 2.79 1.70 -0.50 -4.98 118.95 118.06 1n9r s ARG 82 Ca 0.07 -1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 53.82 1n9r s ARG 82 Cb -0.10 -0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.07 1n9r s ARG 82 CO -0.00 -0.02 0.68 -2.00 -1.08 0.00 0.00 175.30 172.88 1n9r s GLU 83 N -3.69 4.19 0.46 3.89 2.12 -1.26 -0.24 118.70 124.16 1n9r s GLU 83 Ca 0.10 0.70 -0.24 0.00 0.36 0.00 0.00 54.97 55.89 1n9r s GLU 83 Cb 0.04 -3.61 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 1n9r s GLU 83 CO -0.05 -0.34 1.22 -0.51 -0.54 0.00 0.00 175.26 175.05 1n9r s LEU 84 N 2.24 4.05 0.22 2.70 1.43 -0.02 -4.87 118.68 124.42 1n9r s LEU 84 Ca 0.30 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.55 1n9r s LEU 84 Cb -0.16 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 1n9r s LEU 84 CO 0.10 -0.98 1.02 -2.16 0.23 0.00 0.00 176.35 174.56 1n9r s PRO 85 N -2.59 4.72 0.00 1.29 0.05 -1.26 -4.83 135.00 132.38 1n9r s PRO 85 Ca 0.63 1.62 0.00 0.00 0.05 0.00 0.00 61.00 63.29 1n9r s PRO 85 Cb -0.32 -3.27 0.00 0.00 0.05 0.00 0.00 34.50 30.95 1n9r s PRO 85 CO 0.40 0.30 0.00 0.09 0.05 0.00 0.00 177.00 177.83