#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9r h LEU 19 N 0.00 0.00 -1.95 4.37 3.38 -1.98 -2.34 115.31 116.79 1n9r h LEU 19 Ca 0.00 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.27 1n9r h LEU 19 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1n9r h LEU 19 CO 0.00 0.00 0.74 0.11 0.09 0.00 0.00 178.44 179.38 1n9r h LYS 20 N 0.00 0.03 0.00 1.13 6.56 -1.98 1.75 116.57 124.06 1n9r h LYS 20 Ca 0.14 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 1n9r h LYS 20 Cb 1.39 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 33.04 1n9r h LYS 20 CO -0.00 0.02 -0.03 0.78 -2.06 0.00 0.00 179.45 178.16 1n9r h GLY 21 N 0.04 0.00 0.74 3.86 0.00 -1.90 -2.65 103.07 103.15 1n9r h GLY 21 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1n9r h GLY 21 CO -0.03 0.00 -0.87 1.04 0.00 0.00 0.00 176.54 176.69 1n9r n LEU 22 N -3.28 0.63 -4.48 3.11 4.77 0.59 -4.91 117.00 113.43 1n9r n LEU 22 Ca -0.02 0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1n9r n LEU 22 Cb 0.17 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1n9r n LEU 22 CO 0.25 0.05 0.14 0.52 -1.33 0.00 0.00 177.39 177.02 1n9r n VAL 23 N -1.90 1.93 -1.44 4.08 0.31 -1.00 -0.42 118.33 119.89 1n9r n VAL 23 Ca 0.03 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.71 1n9r n VAL 23 Cb 0.42 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 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 1.08 -5.22 -4.63 4.52 3.02 -0.25 -4.98 115.26 108.80 1n9r n ASN 24 Ca 0.11 0.38 -0.32 0.00 -0.03 0.00 0.00 54.58 54.72 1n9r n ASN 24 Cb 0.40 -4.05 -0.10 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.43 2.93 -0.32 3.10 3.76 0.44 -4.90 115.29 117.86 1n9r s HIS 25 Ca 0.00 -0.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 1n9r s HIS 25 Cb 0.00 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1n9r s HIS 25 CO 0.00 0.41 1.35 0.50 -0.85 0.00 0.00 174.74 176.15 1n9r s ARG 26 N -1.69 3.83 0.32 1.40 3.52 -1.26 -1.65 118.95 123.43 1n9r s ARG 26 Ca 0.20 1.21 0.07 0.00 -0.13 0.00 0.00 55.73 57.07 1n9r s ARG 26 Cb -0.11 -3.92 -0.06 0.00 -1.56 0.00 0.00 34.95 29.29 1n9r s ARG 26 CO 0.11 -1.23 -0.05 0.14 -0.81 0.00 0.00 175.30 173.46 1n9r s VAL 27 N 4.65 1.79 -0.14 7.11 -7.23 0.38 -1.64 120.40 125.32 1n9r s VAL 27 Ca 0.58 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1n9r s VAL 27 Cb -0.17 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.19 1n9r s VAL 27 CO 0.26 -0.21 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.81 1n9r s GLY 28 N -3.52 1.30 -0.25 2.32 0.00 0.01 -0.69 107.32 106.49 1n9r s GLY 28 Ca 0.32 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 1n9r s GLY 28 CO 0.14 0.11 0.01 0.14 0.00 0.00 0.00 173.10 173.50 1n9r s VAL 29 N 0.98 3.59 -0.13 1.40 1.01 0.12 -0.72 120.40 126.65 1n9r s VAL 29 Ca -0.04 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1n9r s VAL 29 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1n9r s VAL 29 CO -0.05 0.27 0.08 -0.75 0.00 0.00 0.00 175.10 174.65 1n9r s LYS 30 N 1.48 3.52 0.44 2.72 2.47 -0.85 0.23 119.74 129.75 1n9r s LYS 30 Ca 0.04 -0.26 0.01 0.00 -1.56 0.00 0.00 55.97 54.19 1n9r s LYS 30 Cb -0.16 -3.11 -0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1n9r s LYS 30 CO -0.01 0.59 0.66 -0.51 0.16 0.00 0.00 175.35 176.24 1n9r s LEU 31 N -0.52 3.66 0.05 5.43 1.43 -0.94 -0.24 118.68 127.54 1n9r s LEU 31 Ca 0.11 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 1n9r s LEU 31 Cb -0.12 -3.11 -0.13 0.00 0.03 0.00 0.00 46.19 42.86 1n9r s LEU 31 CO 0.02 -0.70 1.43 0.11 0.23 0.00 0.00 176.35 177.44 1n9r h LYS 32 N 0.43 0.32 -6.40 1.70 1.57 -1.46 -3.40 116.57 109.32 1n9r h LYS 32 Ca -0.46 -0.13 -0.50 0.00 -1.87 0.00 0.00 60.65 57.69 1n9r h LYS 32 Cb 1.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1n9r h LYS 32 CO 0.57 0.61 -0.23 -0.59 -0.57 0.00 0.00 179.45 179.23 1n9r s PHE 33 N -4.68 3.49 0.00 -1.35 -0.12 -1.26 -4.93 117.98 109.13 1n9r s PHE 33 Ca -0.14 0.40 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 1n9r s PHE 33 Cb 0.06 -1.92 0.00 0.00 -0.63 0.00 0.00 43.02 40.53 1n9r s PHE 33 CO 0.73 0.23 0.00 0.09 -0.05 0.00 0.00 175.22 176.22 1n9r n ASN 34 N -1.20 0.00 -3.05 1.98 3.02 -1.26 -4.11 115.26 110.64 1n9r n ASN 34 Ca -0.04 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 1n9r n ASN 34 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 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 0.01 0.04 -4.65 6.41 3.41 -1.26 -5.02 113.62 112.56 1n9r n SER 35 Ca 0.00 -3.16 -0.35 0.00 -0.26 0.00 0.00 58.87 55.11 1n9r n SER 35 Cb 0.00 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.76 4.47 -0.06 6.66 2.01 -1.26 -1.64 115.64 124.06 1n9r s THR 36 Ca 0.35 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1n9r s THR 36 Cb 0.34 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.93 1n9r s THR 36 CO -0.07 0.55 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.61 1n9r s GLU 37 N -0.33 1.37 -0.23 4.92 2.12 0.06 -2.22 118.70 124.39 1n9r s GLU 37 Ca 0.07 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 54.93 1n9r s GLU 37 Cb -0.12 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1n9r s GLU 37 CO 0.02 -0.00 0.43 0.71 -0.54 0.00 0.00 175.26 175.88 1n9r s TYR 38 N 0.71 3.32 -0.13 5.30 1.51 0.13 -0.02 117.35 128.18 1n9r s TYR 38 Ca -0.13 0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1n9r s TYR 38 Cb -0.15 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1n9r s TYR 38 CO 0.02 -0.13 0.03 1.03 -1.11 0.00 0.00 175.55 175.39 1n9r s ARG 39 N 1.73 3.42 -0.01 -0.62 0.52 -0.52 0.12 118.95 123.59 1n9r s ARG 39 Ca 0.19 -0.37 -0.06 0.00 -0.52 0.00 0.00 55.73 54.97 1n9r s ARG 39 Cb -0.15 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.36 1n9r s ARG 39 CO 0.09 0.52 0.26 0.41 0.02 0.00 0.00 175.30 176.60 1n9r n GLY 40 N 2.72 0.51 3.70 -3.53 0.00 0.14 -0.51 105.19 108.21 1n9r n GLY 40 Ca -0.18 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.10 5.13 -0.56 2.61 2.01 -0.14 0.14 115.64 122.73 1n9r s THR 41 Ca 0.06 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.80 1n9r s THR 41 Cb -0.00 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1n9r s THR 41 CO -0.00 0.25 1.40 -0.22 -0.69 0.00 0.00 174.62 175.36 1n9r s LEU 42 N 1.10 3.41 -0.09 4.42 2.96 -0.66 -0.18 118.68 129.64 1n9r s LEU 42 Ca 0.27 0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 54.25 1n9r s LEU 42 Cb -0.15 -3.07 -0.29 0.00 0.50 0.00 0.00 46.19 43.18 1n9r s LEU 42 CO 0.11 -1.69 0.75 0.58 -1.32 0.00 0.00 176.35 174.78 1n9r h VAL 43 N 6.37 1.42 -3.18 1.68 2.07 -0.87 -0.65 116.25 123.09 1n9r h VAL 43 Ca -0.27 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 1n9r h VAL 43 Cb 1.09 3.07 -0.10 0.00 -1.52 0.00 0.00 31.29 33.84 1n9r h VAL 43 CO 1.18 0.67 0.11 -0.94 0.02 0.00 0.00 177.57 178.60 1n9r s SER 44 N -6.83 -0.34 0.11 0.57 1.04 -1.20 -4.68 113.70 102.37 1n9r s SER 44 Ca -0.17 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 1n9r s SER 44 Cb 0.01 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1n9r s SER 44 CO 0.77 -1.08 0.20 0.41 0.98 0.00 0.00 173.24 174.52 1n9r n THR 45 N -0.37 0.00 -3.58 2.02 -1.04 -1.26 -1.24 114.28 108.81 1n9r n THR 45 Ca -0.11 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.05 61.44 1n9r n THR 45 Cb 0.62 0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 69.38 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 -1.60 -0.34 0.07 8.00 -4.77 -1.23 -4.99 116.67 111.81 1n9r s ASP 46 Ca 0.06 0.34 -0.01 0.00 -3.30 0.00 0.00 52.55 49.64 1n9r s ASP 46 Cb -0.01 0.29 0.13 0.00 -1.09 0.00 0.00 42.92 42.23 1n9r s ASP 46 CO 0.04 -0.34 0.37 0.59 0.70 0.00 0.00 175.17 176.53 1n9r n ASN 47 N 0.63 -0.07 0.00 2.11 3.02 -1.26 0.11 115.26 119.79 1n9r n ASN 47 Ca -0.09 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1n9r n ASN 47 Cb 0.58 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 -4.31 0.00 -2.14 3.10 4.02 -1.26 -4.75 117.16 111.82 1n9r n TYR 48 Ca 0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.75 1n9r n TYR 48 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 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 -0.79 -0.82 -3.39 -0.72 3.01 0.29 -4.22 117.46 110.82 1n9r n PHE 49 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1n9r n PHE 49 Cb 0.00 -3.47 -0.09 0.00 -0.01 0.00 0.00 39.48 35.91 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 6.20 0.12 4.37 0.01 -1.24 -2.53 114.94 119.67 1n9r s ASN 50 Ca 0.00 -0.11 0.07 0.00 -0.71 0.00 0.00 52.86 52.11 1n9r s ASN 50 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1n9r s ASN 50 CO 0.00 -0.31 -0.16 -1.48 -1.51 0.00 0.00 177.10 173.64 1n9r s LEU 51 N 2.05 2.39 -0.23 0.60 0.05 -0.64 -3.48 118.68 119.43 1n9r s LEU 51 Ca 0.13 -0.79 -0.05 0.00 0.05 0.00 0.00 54.13 53.47 1n9r s LEU 51 Cb -0.16 -0.64 -0.02 0.00 -2.05 0.00 0.00 46.19 43.32 1n9r s LEU 51 CO 0.11 -0.09 -0.00 -1.58 -0.55 0.00 0.00 176.35 174.24 1n9r s GLN 52 N -2.52 3.49 -0.07 1.48 0.74 -0.37 -0.70 119.66 121.70 1n9r s GLN 52 Ca 0.09 -0.57 0.02 0.00 0.05 0.00 0.00 55.36 54.96 1n9r s GLN 52 Cb -0.06 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1n9r s GLN 52 CO 0.04 -0.17 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.31 1n9r s LEU 53 N 1.46 2.76 0.03 3.68 2.96 0.11 -0.13 118.68 129.55 1n9r s LEU 53 Ca 0.05 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1n9r s LEU 53 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1n9r s LEU 53 CO -0.00 0.30 -0.12 0.21 -1.32 0.00 0.00 176.35 175.42 1n9r s ASN 54 N -0.46 4.25 -1.36 3.68 3.84 0.74 -0.19 114.94 125.44 1n9r s ASN 54 Ca 0.06 -0.29 -0.06 0.00 0.21 0.00 0.00 52.86 52.77 1n9r s ASN 54 Cb -0.12 -0.85 0.03 0.00 -0.55 0.00 0.00 41.25 39.76 1n9r s ASN 54 CO 0.02 0.26 0.98 -0.62 -2.79 0.00 0.00 177.10 174.94 1n9r n GLU 55 N 1.44 -6.30 -2.30 0.43 1.02 -1.02 -0.97 120.64 112.94 1n9r n GLU 55 Ca -0.15 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 1n9r n GLU 55 Cb 0.52 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.41 3.47 -0.13 0.62 0.00 -0.39 -4.48 121.76 117.45 1n9r s ALA 56 Ca 0.34 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1n9r s ALA 56 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1n9r s ALA 56 CO 0.78 -0.44 -0.12 -2.00 0.00 0.00 0.00 175.76 173.97 1n9r s GLU 57 N -0.38 2.06 0.07 0.00 2.12 0.33 -0.62 118.70 122.28 1n9r s GLU 57 Ca 0.53 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 55.09 1n9r s GLU 57 Cb -0.35 -1.91 -0.06 0.00 0.26 0.00 0.00 34.13 32.07 1n9r s GLU 57 CO 0.39 -0.21 1.24 -2.00 -0.54 0.00 0.00 175.26 174.13 1n9r s GLU 58 N 1.44 4.41 -0.12 4.30 2.12 -0.05 -1.44 118.70 129.37 1n9r s GLU 58 Ca 0.03 1.83 0.03 0.00 0.36 0.00 0.00 54.97 57.21 1n9r s GLU 58 Cb -0.13 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1n9r s GLU 58 CO -0.08 -0.29 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.08 1n9r s PHE 59 N 1.06 2.41 -0.19 5.30 0.40 0.97 -1.38 117.98 126.56 1n9r s PHE 59 Ca 0.60 -1.13 -0.02 0.00 -0.60 0.00 0.00 56.93 55.77 1n9r s PHE 59 Cb -0.31 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.56 1n9r s PHE 59 CO 0.29 -0.52 -0.09 0.08 0.70 0.00 0.00 175.22 175.69 1n9r s VAL 60 N 0.73 3.04 -0.92 -0.44 1.01 -0.58 -0.76 120.40 122.49 1n9r s VAL 60 Ca -0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1n9r s VAL 60 Cb -0.16 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1n9r s VAL 60 CO 0.01 0.47 0.12 0.00 0.00 0.00 0.00 175.10 175.70 1n9r n ALA 61 N 4.48 -0.89 -0.49 5.51 0.00 -0.65 0.14 120.51 128.61 1n9r n ALA 61 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1n9r n ALA 61 Cb 0.51 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.84 0.75 3.24 0.00 0.00 -1.26 -5.03 105.19 102.05 1n9r n GLY 62 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.44 2.24 0.16 1.61 1.01 0.12 -5.06 120.40 118.03 1n9r s VAL 63 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 1n9r s VAL 63 Cb 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 1n9r s VAL 63 CO 0.00 0.55 1.65 -0.55 0.00 0.00 0.00 175.10 176.75 1n9r s SER 64 N 0.40 6.52 -0.25 3.32 0.15 -1.26 -1.52 113.70 121.06 1n9r s SER 64 Ca -0.16 2.68 0.11 0.00 0.70 0.00 0.00 55.95 59.28 1n9r s SER 64 Cb -0.17 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.02 1n9r s SER 64 CO 0.07 -0.89 1.38 1.41 1.20 0.00 0.00 173.24 176.42 1n9r n HIS 65 N 4.37 0.76 0.00 3.44 8.25 -0.48 -4.89 115.22 126.67 1n9r n HIS 65 Ca 0.15 -1.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.17 1n9r n HIS 65 Cb 0.38 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.07 1.81 3.27 -1.41 0.00 -1.26 -4.80 105.19 101.73 1n9r n GLY 66 Ca 0.27 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.79 2.19 0.47 2.61 2.01 -1.26 -0.87 115.64 118.99 1n9r s THR 67 Ca 0.00 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.07 1n9r s THR 67 Cb 0.00 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.69 1n9r s THR 67 CO 0.00 0.56 0.37 -0.76 -0.69 0.00 0.00 174.62 174.10 1n9r s LEU 68 N 0.03 3.07 0.00 4.42 1.43 0.21 -4.97 118.68 122.87 1n9r s LEU 68 Ca -0.09 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1n9r s LEU 68 Cb -0.15 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1n9r s LEU 68 CO 0.06 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.42 1n9r n GLY 69 N -1.60 0.95 3.74 -3.19 0.00 -1.26 -3.50 105.19 100.34 1n9r n GLY 69 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 1.02 4.28 0.10 1.61 0.41 -1.26 -1.26 118.70 123.61 1n9r s GLU 70 Ca 0.00 0.47 0.06 0.00 -0.41 0.00 0.00 54.97 55.09 1n9r s GLU 70 Cb 0.00 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1n9r s GLU 70 CO 0.00 0.26 -0.15 0.96 -0.49 0.00 0.00 175.26 175.84 1n9r s ILE 71 N 0.29 1.32 -0.26 -1.63 -4.36 0.73 -4.96 121.20 112.33 1n9r s ILE 71 Ca 0.26 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1n9r s ILE 71 Cb -0.16 -1.40 0.04 0.00 1.25 0.00 0.00 42.46 42.20 1n9r s ILE 71 CO 0.11 -0.31 -0.07 -0.36 0.24 0.00 0.00 174.94 174.55 1n9r s PHE 72 N -1.74 3.16 0.09 1.37 0.40 -1.26 -0.71 117.98 119.27 1n9r s PHE 72 Ca 0.05 -1.89 0.03 0.00 -0.60 0.00 0.00 56.93 54.52 1n9r s PHE 72 Cb -0.07 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1n9r s PHE 72 CO 0.03 -0.80 0.08 0.42 0.70 0.00 0.00 175.22 175.65 1n9r s ILE 73 N 1.23 4.52 -0.21 0.64 1.01 0.12 -4.99 121.20 123.52 1n9r s ILE 73 Ca -0.04 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1n9r s ILE 73 Cb -0.18 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1n9r s ILE 73 CO -0.04 0.11 0.10 -0.13 0.00 0.00 0.00 174.94 174.98 1n9r s ARG 74 N -2.44 3.98 0.14 2.79 1.81 -1.26 -1.62 118.95 122.36 1n9r s ARG 74 Ca 0.29 -0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 53.77 1n9r s ARG 74 Cb -0.12 -3.36 0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1n9r s ARG 74 CO 0.22 0.14 1.19 0.00 -0.68 0.00 0.00 175.30 176.17 1n9r n ASN 76 N -5.02 -0.18 0.00 0.00 5.03 -1.26 0.11 115.26 113.94 1n9r n ASN 76 Ca 0.04 1.54 0.13 0.00 0.87 0.00 0.00 54.58 57.15 1n9r n ASN 76 Cb 0.24 -0.53 0.75 0.00 -1.02 0.00 0.00 39.78 39.22 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 -5.37 0.00 -4.73 6.41 3.02 -0.88 -4.80 115.26 108.90 1n9r n ASN 77 Ca 0.19 -0.69 -0.38 0.00 -0.03 0.00 0.00 54.58 53.66 1n9r n ASN 77 Cb 0.61 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.09 5.15 -0.19 2.41 1.01 0.31 -1.22 120.40 125.77 1n9r s VAL 78 Ca 0.37 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 1n9r s VAL 78 Cb 0.18 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1n9r s VAL 78 CO 0.31 0.34 -0.10 -0.11 0.00 0.00 0.00 175.10 175.55 1n9r n LEU 79 N 3.52 1.87 -3.90 3.92 7.94 0.66 -4.74 117.00 126.28 1n9r n LEU 79 Ca -0.07 0.48 -0.08 0.00 -1.11 0.00 0.00 56.01 55.23 1n9r n LEU 79 Cb 0.52 -0.88 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1n9r n LEU 79 CO 0.43 -0.04 0.40 -0.72 -1.11 0.00 0.00 177.39 176.35 1n9r s TYR 80 N -2.42 0.00 -0.03 1.96 -0.85 -1.21 -5.03 117.35 109.78 1n9r s TYR 80 Ca -0.25 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 55.90 1n9r s TYR 80 Cb 0.05 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1n9r s TYR 80 CO 0.41 -1.21 -0.19 0.42 -1.52 0.00 0.00 175.55 173.47 1n9r s ILE 81 N -3.79 1.50 0.31 -3.49 1.01 -1.26 -2.00 121.20 113.49 1n9r s ILE 81 Ca 0.15 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1n9r s ILE 81 Cb -0.04 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 41.09 1n9r s ILE 81 CO 0.08 0.43 0.01 0.00 0.00 0.00 0.00 174.94 175.46 1n9r s ARG 82 N -0.21 1.62 -0.31 2.79 1.70 0.10 -4.96 118.95 119.68 1n9r s ARG 82 Ca 0.02 -1.87 -0.13 0.00 -0.47 0.00 0.00 55.73 53.28 1n9r s ARG 82 Cb -0.10 -1.02 -0.03 0.00 -0.57 0.00 0.00 34.95 33.24 1n9r s ARG 82 CO 0.01 -0.09 0.24 -2.00 -1.08 0.00 0.00 175.30 172.38 1n9r s GLU 83 N -3.82 3.74 0.29 3.89 2.12 -1.26 -0.81 118.70 122.85 1n9r s GLU 83 Ca 0.33 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 1n9r s GLU 83 Cb 0.07 -3.73 -0.10 0.00 0.26 0.00 0.00 34.13 30.63 1n9r s GLU 83 CO 0.14 -0.33 1.28 -0.51 -0.54 0.00 0.00 175.26 175.30 1n9r s LEU 84 N 1.80 4.44 -0.13 2.70 1.43 -0.65 -4.87 118.68 123.41 1n9r s LEU 84 Ca 0.08 2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.45 1n9r s LEU 84 Cb -0.17 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1n9r s LEU 84 CO 0.11 -0.48 2.12 -0.81 0.23 0.00 0.00 176.35 177.52 1n9r n PRO 85 N 1.30 2.24 0.00 1.29 -0.04 -1.26 -4.87 135.00 133.65 1n9r n PRO 85 Ca 0.01 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1n9r n PRO 85 Cb 0.42 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 1n9r n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73