#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9r n LYS 20 N 0.00 0.03 0.14 1.96 5.02 -1.26 -0.22 118.16 123.83 1n9r n LYS 20 Ca 0.00 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1n9r n LYS 20 Cb 0.00 -1.80 0.51 0.00 -0.02 0.00 0.00 35.03 33.72 1n9r n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n9r n GLY 21 N -1.31 -1.18 0.16 0.72 0.00 -1.26 -2.42 105.19 99.90 1n9r n GLY 21 Ca -0.00 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.23 1.31 -4.44 0.99 4.77 0.70 -4.92 117.00 113.17 1n9r n LEU 22 Ca 0.01 -0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 1n9r n LEU 22 Cb 0.18 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1n9r n LEU 22 CO 0.17 0.29 0.04 0.52 -1.33 0.00 0.00 177.39 177.08 1n9r n VAL 23 N -1.03 1.72 -1.11 4.08 0.31 -1.02 -0.91 118.33 120.38 1n9r n VAL 23 Ca 0.06 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.84 1n9r n VAL 23 Cb 0.37 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.76 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 1.29 -5.71 -4.94 4.52 3.02 0.45 -4.95 115.26 108.94 1n9r n ASN 24 Ca 0.11 0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.59 1n9r n ASN 24 Cb 0.40 -3.72 -0.01 0.00 -0.61 0.00 0.00 39.78 35.84 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 -1.38 2.96 -0.44 3.10 3.76 -0.08 -4.85 115.29 118.36 1n9r s HIS 25 Ca 0.00 -0.30 -0.22 0.00 -0.15 0.00 0.00 55.06 54.38 1n9r s HIS 25 Cb 0.00 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.69 1n9r s HIS 25 CO 0.00 -0.04 0.73 0.50 -0.85 0.00 0.00 174.74 175.08 1n9r s ARG 26 N -4.15 3.37 0.39 1.40 3.52 -1.26 -1.44 118.95 120.78 1n9r s ARG 26 Ca 0.46 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.93 1n9r s ARG 26 Cb -0.08 -3.94 -0.08 0.00 -1.56 0.00 0.00 34.95 29.30 1n9r s ARG 26 CO 0.30 -1.06 0.00 0.14 -0.81 0.00 0.00 175.30 173.87 1n9r s VAL 27 N 3.10 1.90 -0.09 7.11 -7.23 0.31 0.61 120.40 126.11 1n9r s VAL 27 Ca 0.27 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1n9r s VAL 27 Cb -0.13 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1n9r s VAL 27 CO 0.21 -0.03 -0.09 -0.83 -0.31 0.00 0.00 175.10 174.05 1n9r s GLY 28 N -3.66 0.80 -0.23 2.32 0.00 0.42 -1.99 107.32 104.98 1n9r s GLY 28 Ca 0.35 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 1n9r s GLY 28 CO 0.17 0.55 0.10 0.14 0.00 0.00 0.00 173.10 174.06 1n9r s VAL 29 N 1.30 4.79 -0.07 1.40 1.01 0.25 -1.31 120.40 127.77 1n9r s VAL 29 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1n9r s VAL 29 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1n9r s VAL 29 CO -0.04 0.36 -0.06 -0.75 0.00 0.00 0.00 175.10 174.61 1n9r s LYS 30 N 1.16 2.76 0.44 2.72 2.47 -0.77 -0.96 119.74 127.55 1n9r s LYS 30 Ca 0.05 -0.54 0.05 0.00 -1.56 0.00 0.00 55.97 53.97 1n9r s LYS 30 Cb -0.14 -2.60 0.01 0.00 -1.46 0.00 0.00 37.83 33.63 1n9r s LYS 30 CO 0.04 0.67 0.61 -0.51 0.16 0.00 0.00 175.35 176.32 1n9r s LEU 31 N -0.84 3.64 0.05 5.43 1.43 -1.08 0.24 118.68 127.55 1n9r s LEU 31 Ca 0.13 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 1n9r s LEU 31 Cb -0.11 -2.80 -0.13 0.00 0.03 0.00 0.00 46.19 43.18 1n9r s LEU 31 CO 0.02 -0.77 1.36 0.11 0.23 0.00 0.00 176.35 177.30 1n9r h LYS 32 N 0.53 0.44 -6.51 1.70 1.57 -1.71 -3.41 116.57 109.17 1n9r h LYS 32 Ca -0.43 -0.23 -0.45 0.00 -1.87 0.00 0.00 60.65 57.67 1n9r h LYS 32 Cb 1.27 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.61 1n9r h LYS 32 CO 0.50 0.80 -0.22 -0.59 -0.57 0.00 0.00 179.45 179.37 1n9r s PHE 33 N -4.32 3.16 0.00 -1.35 -0.12 -1.26 -4.93 117.98 109.16 1n9r s PHE 33 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1n9r s PHE 33 Cb 0.06 -2.16 0.00 0.00 -0.63 0.00 0.00 43.02 40.29 1n9r s PHE 33 CO 0.77 -0.20 0.00 0.09 -0.05 0.00 0.00 175.22 175.83 1n9r n ASN 34 N -1.87 0.00 -2.94 1.98 3.02 -1.26 -3.95 115.26 110.25 1n9r n ASN 34 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 1n9r n ASN 34 Cb 0.58 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.80 -1.22 -4.61 6.41 3.41 -1.26 -5.06 113.62 112.09 1n9r n SER 35 Ca 0.00 -3.25 -0.34 0.00 -0.26 0.00 0.00 58.87 55.02 1n9r n SER 35 Cb 0.00 0.80 -0.10 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 -0.57 4.16 -0.02 6.66 2.01 -1.25 -1.23 115.64 125.39 1n9r s THR 36 Ca 0.31 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1n9r s THR 36 Cb 0.27 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 1n9r s THR 36 CO -0.12 0.56 -0.11 -0.70 -0.69 0.00 0.00 174.62 173.56 1n9r s GLU 37 N -0.40 1.02 -0.25 4.92 2.12 0.15 -2.65 118.70 123.61 1n9r s GLU 37 Ca 0.07 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 54.92 1n9r s GLU 37 Cb -0.12 -0.96 -0.05 0.00 0.26 0.00 0.00 34.13 33.26 1n9r s GLU 37 CO 0.02 0.19 0.15 0.71 -0.54 0.00 0.00 175.26 175.79 1n9r s TYR 38 N -0.04 3.23 -0.06 5.30 1.51 -0.14 0.17 117.35 127.33 1n9r s TYR 38 Ca 0.00 0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1n9r s TYR 38 Cb -0.07 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1n9r s TYR 38 CO 0.00 -0.10 -0.11 1.03 -1.11 0.00 0.00 175.55 175.26 1n9r s ARG 39 N 1.41 2.60 0.00 -0.62 0.52 -0.16 -0.59 118.95 122.11 1n9r s ARG 39 Ca 0.07 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1n9r s ARG 39 Cb -0.15 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1n9r s ARG 39 CO 0.07 0.64 0.00 0.41 0.02 0.00 0.00 175.30 176.44 1n9r n GLY 40 N 2.27 -0.72 3.77 -3.53 0.00 -0.84 -0.04 105.19 106.10 1n9r n GLY 40 Ca -0.17 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 5.31 -0.58 2.61 2.01 0.23 -0.53 115.64 121.68 1n9r s THR 41 Ca 0.00 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 1n9r s THR 41 Cb 0.00 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1n9r s THR 41 CO 0.00 0.51 1.08 -0.22 -0.69 0.00 0.00 174.62 175.30 1n9r s LEU 42 N -0.18 3.75 -0.10 4.42 2.96 -0.52 -0.29 118.68 128.73 1n9r s LEU 42 Ca 0.10 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.63 1n9r s LEU 42 Cb -0.12 -2.94 -0.16 0.00 0.50 0.00 0.00 46.19 43.47 1n9r s LEU 42 CO 0.01 -1.40 0.65 0.58 -1.32 0.00 0.00 176.35 174.87 1n9r h VAL 43 N 6.08 1.05 -3.89 1.68 2.07 -1.36 0.13 116.25 122.01 1n9r h VAL 43 Ca -0.26 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 1n9r h VAL 43 Cb 1.06 1.91 -0.12 0.00 -1.52 0.00 0.00 31.29 32.62 1n9r h VAL 43 CO 1.15 0.33 -0.28 -0.94 0.02 0.00 0.00 177.57 177.84 1n9r s SER 44 N -5.79 0.00 0.09 0.57 1.04 -1.24 -4.56 113.70 103.80 1n9r s SER 44 Ca -0.12 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.29 1n9r s SER 44 Cb -0.01 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1n9r s SER 44 CO 0.46 -0.97 0.33 0.41 0.98 0.00 0.00 173.24 174.45 1n9r n THR 45 N -0.28 0.00 -3.55 2.02 -1.04 -1.26 -0.73 114.28 109.43 1n9r n THR 45 Ca -0.04 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.61 1n9r n THR 45 Cb 0.63 0.30 -0.04 0.00 -1.82 0.00 0.00 70.33 69.40 1n9r n THR 45 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1n9r s ASP 46 N -1.81 -0.38 0.18 8.00 -4.77 -1.22 -5.01 116.67 111.65 1n9r s ASP 46 Ca 0.07 0.30 0.10 0.00 -3.30 0.00 0.00 52.55 49.72 1n9r s ASP 46 Cb -0.01 0.34 0.64 0.00 -1.09 0.00 0.00 42.92 42.79 1n9r s ASP 46 CO 0.03 -0.43 0.74 0.59 0.70 0.00 0.00 175.17 176.80 1n9r n ASN 47 N 0.45 0.16 0.00 2.11 3.02 -1.26 0.98 115.26 120.72 1n9r n ASN 47 Ca -0.10 0.77 0.01 0.00 -0.03 0.00 0.00 54.58 55.24 1n9r n ASN 47 Cb 0.59 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.45 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 -4.03 0.00 -2.50 3.10 4.02 -1.26 -4.82 117.16 111.67 1n9r n TYR 48 Ca 0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.86 1n9r n TYR 48 Cb 0.62 -0.08 -0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 -1.08 -1.17 -3.94 -0.72 3.01 0.28 -4.36 117.46 109.48 1n9r n PHE 49 Ca 0.02 0.08 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 1n9r n PHE 49 Cb 0.01 -4.00 -0.09 0.00 -0.01 0.00 0.00 39.48 35.39 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 -2.14 5.75 0.10 4.37 0.01 -1.25 -2.33 114.94 119.44 1n9r s ASN 50 Ca 0.05 0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.30 1n9r s ASN 50 Cb -0.02 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1n9r s ASN 50 CO 0.06 0.17 0.01 -1.48 -1.51 0.00 0.00 177.10 174.34 1n9r s LEU 51 N 0.39 2.16 -0.15 0.60 0.05 -0.67 -3.40 118.68 117.67 1n9r s LEU 51 Ca 0.04 -1.10 -0.02 0.00 0.05 0.00 0.00 54.13 53.10 1n9r s LEU 51 Cb -0.12 0.20 -0.02 0.00 -2.05 0.00 0.00 46.19 44.20 1n9r s LEU 51 CO -0.00 -0.64 -0.09 -1.58 -0.55 0.00 0.00 176.35 173.48 1n9r s GLN 52 N -3.97 3.47 -0.10 1.48 0.74 0.09 -1.47 119.66 119.91 1n9r s GLN 52 Ca 0.16 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1n9r s GLN 52 Cb 0.07 -2.76 0.01 0.00 1.10 0.00 0.00 33.01 31.44 1n9r s GLN 52 CO -0.03 0.18 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.56 1n9r s LEU 53 N 0.47 1.76 -0.11 3.68 2.96 0.01 -0.89 118.68 126.55 1n9r s LEU 53 Ca -0.07 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1n9r s LEU 53 Cb -0.15 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1n9r s LEU 53 CO 0.04 0.04 0.04 0.21 -1.32 0.00 0.00 176.35 175.36 1n9r s ASN 54 N 0.79 5.52 -1.24 3.68 3.84 0.61 -1.18 114.94 126.96 1n9r s ASN 54 Ca -0.11 0.19 -0.02 0.00 0.21 0.00 0.00 52.86 53.13 1n9r s ASN 54 Cb -0.16 -1.70 -0.01 0.00 -0.55 0.00 0.00 41.25 38.84 1n9r s ASN 54 CO 0.02 0.34 0.81 -0.62 -2.79 0.00 0.00 177.10 174.86 1n9r n GLU 55 N 2.42 -4.83 -2.74 0.43 1.02 -1.08 -0.60 120.64 115.25 1n9r n GLU 55 Ca -0.18 0.70 -0.37 0.00 -0.02 0.00 0.00 57.16 57.28 1n9r n GLU 55 Cb 0.54 -5.37 -0.06 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 -3.54 3.22 -0.04 0.62 0.00 -0.91 -4.35 121.76 116.75 1n9r s ALA 56 Ca 0.08 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1n9r s ALA 56 Cb -0.02 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1n9r s ALA 56 CO 0.78 0.12 -0.05 -2.00 0.00 0.00 0.00 175.76 174.62 1n9r s GLU 57 N -2.00 0.85 -0.09 0.00 2.12 0.95 -0.40 118.70 120.12 1n9r s GLU 57 Ca 0.50 -0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.45 1n9r s GLU 57 Cb -0.20 -0.83 -0.03 0.00 0.26 0.00 0.00 34.13 33.33 1n9r s GLU 57 CO 0.26 -0.04 0.71 -2.00 -0.54 0.00 0.00 175.26 173.64 1n9r s GLU 58 N 0.75 4.40 -0.10 4.30 2.12 -0.76 -0.99 118.70 128.42 1n9r s GLU 58 Ca -0.10 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.11 1n9r s GLU 58 Cb -0.13 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1n9r s GLU 58 CO 0.00 0.00 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.53 1n9r s PHE 59 N 1.02 2.77 -0.26 5.30 0.40 0.45 -2.07 117.98 125.60 1n9r s PHE 59 Ca 0.37 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 1n9r s PHE 59 Cb -0.17 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1n9r s PHE 59 CO 0.17 -0.06 -0.05 0.08 0.70 0.00 0.00 175.22 176.06 1n9r s VAL 60 N -0.06 2.91 -1.55 -0.44 1.01 0.29 -0.67 120.40 121.89 1n9r s VAL 60 Ca -0.02 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 1n9r s VAL 60 Cb -0.14 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1n9r s VAL 60 CO 0.04 0.15 0.87 0.00 0.00 0.00 0.00 175.10 176.16 1n9r n ALA 61 N 4.67 -1.40 -1.08 5.51 0.00 -0.37 -1.21 120.51 126.62 1n9r n ALA 61 Ca -0.16 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1n9r n ALA 61 Cb 0.47 -3.79 -0.01 0.00 0.00 0.00 0.00 19.45 16.11 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 -1.63 0.58 3.31 0.00 0.00 -1.26 -5.01 105.19 101.18 1n9r n GLY 62 Ca -0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.92 2.32 0.11 1.61 1.01 -0.35 -5.07 120.40 118.10 1n9r s VAL 63 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1n9r s VAL 63 Cb 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1n9r s VAL 63 CO 0.00 0.57 1.11 -0.55 0.00 0.00 0.00 175.10 176.23 1n9r s SER 64 N -0.19 7.22 -0.18 3.32 0.15 -1.26 -0.55 113.70 122.22 1n9r s SER 64 Ca -0.02 1.99 0.16 0.00 0.70 0.00 0.00 55.95 58.77 1n9r s SER 64 Cb -0.14 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 61.98 1n9r s SER 64 CO 0.03 -0.31 1.27 1.41 1.20 0.00 0.00 173.24 176.84 1n9r n HIS 65 N 3.18 0.35 0.00 3.44 8.25 -0.88 -4.94 115.22 124.62 1n9r n HIS 65 Ca 0.05 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 1n9r n HIS 65 Cb 0.47 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.13 2.86 3.59 -1.41 0.00 -1.26 -4.85 105.19 102.98 1n9r n GLY 66 Ca 0.20 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.23 4.05 0.53 2.61 2.01 -1.26 -1.83 115.64 119.53 1n9r s THR 67 Ca 0.00 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.75 1n9r s THR 67 Cb 0.00 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 69.84 1n9r s THR 67 CO 0.00 0.56 0.60 -0.76 -0.69 0.00 0.00 174.62 174.33 1n9r s LEU 68 N -0.36 3.05 0.00 4.42 1.43 0.46 -4.96 118.68 122.72 1n9r s LEU 68 Ca 0.06 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1n9r s LEU 68 Cb -0.12 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1n9r s LEU 68 CO 0.02 -1.14 0.00 0.61 0.23 0.00 0.00 176.35 176.07 1n9r n GLY 69 N -1.98 1.20 3.81 -3.19 0.00 -1.26 -3.58 105.19 100.18 1n9r n GLY 69 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 0.77 3.92 0.09 1.61 0.41 -1.26 -2.15 118.70 122.10 1n9r s GLU 70 Ca 0.00 0.16 0.04 0.00 -0.41 0.00 0.00 54.97 54.76 1n9r s GLU 70 Cb 0.00 -3.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1n9r s GLU 70 CO 0.00 0.54 -0.12 0.96 -0.49 0.00 0.00 175.26 176.16 1n9r s ILE 71 N -0.49 1.03 -0.16 -1.63 -4.36 -0.33 -4.99 121.20 110.29 1n9r s ILE 71 Ca 0.19 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 1n9r s ILE 71 Cb -0.14 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.32 1n9r s ILE 71 CO 0.07 -0.44 -0.19 -0.36 0.24 0.00 0.00 174.94 174.27 1n9r s PHE 72 N -2.02 2.53 -0.05 1.37 0.40 -1.26 -0.81 117.98 118.13 1n9r s PHE 72 Ca 0.03 -1.40 0.03 0.00 -0.60 0.00 0.00 56.93 54.99 1n9r s PHE 72 Cb -0.06 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1n9r s PHE 72 CO 0.01 -0.70 -0.13 0.42 0.70 0.00 0.00 175.22 175.52 1n9r s ILE 73 N 1.20 3.13 0.08 0.64 1.01 -0.54 -4.96 121.20 121.75 1n9r s ILE 73 Ca 0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 1n9r s ILE 73 Cb -0.14 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 1n9r s ILE 73 CO -0.09 0.59 0.73 -0.13 0.00 0.00 0.00 174.94 176.04 1n9r s ARG 74 N -0.76 4.47 0.11 2.79 1.81 -1.26 -1.66 118.95 124.44 1n9r s ARG 74 Ca 0.12 1.02 -0.24 0.00 -1.72 0.00 0.00 55.73 54.90 1n9r s ARG 74 Cb -0.11 -3.32 -0.07 0.00 -0.45 0.00 0.00 34.95 31.01 1n9r s ARG 74 CO 0.01 0.41 1.41 0.00 -0.68 0.00 0.00 175.30 176.45 1n9r n ASN 76 N -4.71 0.27 0.00 0.00 5.03 -1.26 0.19 115.26 114.78 1n9r n ASN 76 Ca -0.01 1.43 0.14 0.00 0.87 0.00 0.00 54.58 57.01 1n9r n ASN 76 Cb 0.23 -0.68 0.76 0.00 -1.02 0.00 0.00 39.78 39.07 1n9r n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n9r n ASN 77 N -4.97 0.00 -4.77 6.41 3.02 -1.13 -4.83 115.26 108.99 1n9r n ASN 77 Ca 0.32 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1n9r n ASN 77 Cb 1.07 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 40.00 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 -2.36 5.22 -0.21 2.41 1.01 0.51 -2.04 120.40 124.93 1n9r s VAL 78 Ca 0.33 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.77 1n9r s VAL 78 Cb 0.19 -3.67 -0.19 0.00 0.00 0.00 0.00 36.38 32.72 1n9r s VAL 78 CO 0.39 0.45 0.18 -0.11 0.00 0.00 0.00 175.10 176.02 1n9r n LEU 79 N 2.94 1.86 -3.82 3.92 7.94 0.14 -4.76 117.00 125.21 1n9r n LEU 79 Ca -0.12 0.42 -0.06 0.00 -1.11 0.00 0.00 56.01 55.14 1n9r n LEU 79 Cb 0.52 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1n9r n LEU 79 CO 0.39 0.29 0.64 -0.72 -1.11 0.00 0.00 177.39 176.88 1n9r s TYR 80 N -2.37 -0.02 0.00 1.96 -0.85 -1.18 -5.03 117.35 109.86 1n9r s TYR 80 Ca -0.29 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 55.85 1n9r s TYR 80 Cb 0.06 0.72 -0.01 0.00 0.38 0.00 0.00 41.96 43.12 1n9r s TYR 80 CO 0.59 -1.14 -0.10 0.42 -1.52 0.00 0.00 175.55 173.80 1n9r s ILE 81 N -2.87 0.75 0.21 -3.49 1.01 -1.26 -1.84 121.20 113.70 1n9r s ILE 81 Ca 0.15 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1n9r s ILE 81 Cb -0.04 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 1n9r s ILE 81 CO 0.07 0.13 0.06 0.00 0.00 0.00 0.00 174.94 175.20 1n9r s ARG 82 N -0.44 1.22 -0.23 2.79 1.70 -0.43 -4.97 118.95 118.60 1n9r s ARG 82 Ca 0.02 -1.63 -0.10 0.00 -0.47 0.00 0.00 55.73 53.55 1n9r s ARG 82 Cb -0.05 -0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 1n9r s ARG 82 CO -0.00 -0.24 0.15 -2.00 -1.08 0.00 0.00 175.30 172.13 1n9r s GLU 83 N -4.00 4.06 -0.01 3.89 2.12 -1.26 -0.44 118.70 123.05 1n9r s GLU 83 Ca 0.31 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1n9r s GLU 83 Cb 0.07 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1n9r s GLU 83 CO 0.08 0.09 1.29 -0.51 -0.54 0.00 0.00 175.26 175.67 1n9r s LEU 84 N 0.96 4.31 -0.35 2.70 1.43 0.20 -4.88 118.68 123.05 1n9r s LEU 84 Ca 0.07 1.98 -0.37 0.00 -1.03 0.00 0.00 54.13 54.78 1n9r s LEU 84 Cb -0.13 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.40 1n9r s LEU 84 CO 0.04 -0.62 2.11 -0.81 0.23 0.00 0.00 176.35 177.29 1n9r n PRO 85 N 5.05 0.99 0.00 1.29 -0.04 -1.26 -4.79 135.00 136.23 1n9r n PRO 85 Ca 0.12 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1n9r n PRO 85 Cb 0.45 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1n9r n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73