#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9r n LEU 19 N 0.00 6.94 0.00 5.98 -0.00 -1.26 -4.69 117.00 123.96 1n9r n LEU 19 Ca 0.00 -4.65 0.07 0.00 -0.00 0.00 0.00 56.01 51.43 1n9r n LEU 19 Cb 0.00 -0.86 0.39 0.00 -0.00 0.00 0.00 43.42 42.94 1n9r n LEU 19 CO 0.00 1.74 0.65 0.29 -0.00 0.00 0.00 177.39 180.07 1n9r n LYS 20 N -0.71 0.72 0.05 1.47 5.02 -1.26 -2.92 118.16 120.53 1n9r n LYS 20 Ca 0.55 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 1n9r n LYS 20 Cb 0.55 -1.28 0.52 0.00 -0.02 0.00 0.00 35.03 34.80 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 0.35 -1.57 0.00 0.72 0.00 -1.26 -3.65 105.19 99.78 1n9r n GLY 21 Ca 0.10 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.83 0.72 -4.45 0.99 4.77 -1.15 -4.93 117.00 111.13 1n9r n LEU 22 Ca 0.06 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 1n9r n LEU 22 Cb 0.37 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1n9r n LEU 22 CO 0.28 0.18 0.05 0.52 -1.33 0.00 0.00 177.39 177.09 1n9r n VAL 23 N -1.68 1.81 -1.64 4.08 0.31 -1.24 0.30 118.33 120.27 1n9r n VAL 23 Ca 0.02 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.68 1n9r n VAL 23 Cb 0.38 -0.57 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 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 1.12 -4.44 -4.60 4.52 3.02 1.00 -4.95 115.26 110.93 1n9r n ASN 24 Ca 0.11 0.35 -0.29 0.00 -0.03 0.00 0.00 54.58 54.73 1n9r n ASN 24 Cb 0.42 -3.97 -0.09 0.00 -0.61 0.00 0.00 39.78 35.53 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 -2.47 2.76 -0.63 3.10 3.76 0.15 -4.89 115.29 117.06 1n9r s HIS 25 Ca 0.00 -0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 54.48 1n9r s HIS 25 Cb 0.00 -1.40 0.03 0.00 1.11 0.00 0.00 32.58 32.32 1n9r s HIS 25 CO 0.00 0.47 1.25 0.50 -0.85 0.00 0.00 174.74 176.11 1n9r s ARG 26 N -2.48 3.38 0.51 1.40 3.52 -1.26 -1.63 118.95 122.39 1n9r s ARG 26 Ca 0.24 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1n9r s ARG 26 Cb -0.10 -4.08 0.01 0.00 -1.56 0.00 0.00 34.95 29.21 1n9r s ARG 26 CO 0.15 -1.88 0.27 0.14 -0.81 0.00 0.00 175.30 173.18 1n9r s VAL 27 N 5.37 1.67 -0.08 7.11 -7.23 0.34 0.87 120.40 128.45 1n9r s VAL 27 Ca 0.42 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1n9r s VAL 27 Cb -0.08 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.57 1n9r s VAL 27 CO 0.22 0.00 -0.10 -0.83 -0.31 0.00 0.00 175.10 174.08 1n9r s GLY 28 N -4.12 0.79 -0.22 2.32 0.00 0.81 -1.82 107.32 105.08 1n9r s GLY 28 Ca 0.29 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 1n9r s GLY 28 CO 0.17 0.41 -0.05 0.14 0.00 0.00 0.00 173.10 173.77 1n9r s VAL 29 N 1.09 3.35 -0.15 1.40 1.01 0.12 -1.66 120.40 125.56 1n9r s VAL 29 Ca -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1n9r s VAL 29 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1n9r s VAL 29 CO -0.01 0.42 -0.02 -0.75 0.00 0.00 0.00 175.10 174.74 1n9r s LYS 30 N 1.48 3.64 0.59 2.72 2.47 -0.98 0.22 119.74 129.88 1n9r s LYS 30 Ca 0.06 -0.49 -0.03 0.00 -1.56 0.00 0.00 55.97 53.94 1n9r s LYS 30 Cb -0.14 -2.93 0.03 0.00 -1.46 0.00 0.00 37.83 33.32 1n9r s LYS 30 CO -0.03 0.29 0.87 -0.51 0.16 0.00 0.00 175.35 176.13 1n9r s LEU 31 N 0.24 3.18 -0.05 5.43 1.43 -1.06 -0.40 118.68 127.43 1n9r s LEU 31 Ca -0.02 0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 1n9r s LEU 31 Cb -0.14 -3.19 -0.22 0.00 0.03 0.00 0.00 46.19 42.67 1n9r s LEU 31 CO 0.03 -1.19 1.12 0.11 0.23 0.00 0.00 176.35 176.64 1n9r h LYS 32 N -0.16 -0.01 -6.74 1.70 1.57 -1.49 -3.40 116.57 108.05 1n9r h LYS 32 Ca -0.44 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.84 1n9r h LYS 32 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1n9r h LYS 32 CO 0.58 0.62 0.03 -0.59 -0.57 0.00 0.00 179.45 179.52 1n9r s PHE 33 N -3.68 3.48 0.00 -1.35 -0.12 -1.26 -4.91 117.98 110.14 1n9r s PHE 33 Ca -0.17 0.88 0.00 0.00 -0.05 0.00 0.00 56.93 57.59 1n9r s PHE 33 Cb 0.00 -2.31 0.00 0.00 -0.63 0.00 0.00 43.02 40.08 1n9r s PHE 33 CO 0.67 -0.04 0.00 0.09 -0.05 0.00 0.00 175.22 175.89 1n9r n ASN 34 N -1.32 0.00 -2.87 1.98 3.02 -1.26 -4.24 115.26 110.57 1n9r n ASN 34 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.44 1n9r n ASN 34 Cb 0.54 0.00 0.04 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 0.09 -0.28 -4.71 6.41 3.41 -1.26 -5.03 113.62 112.25 1n9r n SER 35 Ca 0.00 -3.03 -0.35 0.00 -0.26 0.00 0.00 58.87 55.23 1n9r n SER 35 Cb 0.00 0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.48 4.84 -0.04 6.66 2.01 -1.26 -1.05 115.64 125.31 1n9r s THR 36 Ca 0.30 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1n9r s THR 36 Cb 0.37 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.76 1n9r s THR 36 CO -0.05 0.54 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.60 1n9r s GLU 37 N -0.32 1.42 -0.14 4.92 2.12 -0.23 -2.57 118.70 123.90 1n9r s GLU 37 Ca 0.09 -0.42 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 1n9r s GLU 37 Cb -0.12 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 1n9r s GLU 37 CO 0.02 0.12 0.57 0.71 -0.54 0.00 0.00 175.26 176.13 1n9r s TYR 38 N 0.33 3.47 -0.09 5.30 1.51 0.58 -1.02 117.35 127.42 1n9r s TYR 38 Ca -0.07 0.96 -0.01 0.00 -1.01 0.00 0.00 57.07 56.93 1n9r s TYR 38 Cb -0.12 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 1n9r s TYR 38 CO 0.02 0.01 -0.03 1.03 -1.11 0.00 0.00 175.55 175.48 1n9r s ARG 39 N 1.18 3.02 0.00 -0.62 0.52 0.12 0.14 118.95 123.30 1n9r s ARG 39 Ca 0.29 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1n9r s ARG 39 Cb -0.16 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1n9r s ARG 39 CO 0.12 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.47 1n9r n GLY 40 N 2.38 0.65 3.73 -3.53 0.00 -0.75 -0.03 105.19 107.63 1n9r n GLY 40 Ca -0.18 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.13 5.36 -0.61 2.61 2.01 -0.78 0.13 115.64 122.23 1n9r s THR 41 Ca 0.00 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1n9r s THR 41 Cb 0.00 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1n9r s THR 41 CO 0.00 0.41 1.27 -0.22 -0.69 0.00 0.00 174.62 175.39 1n9r s LEU 42 N 0.45 3.37 -0.07 4.42 2.96 -0.64 -0.20 118.68 128.96 1n9r s LEU 42 Ca 0.12 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 1n9r s LEU 42 Cb -0.12 -3.00 -0.24 0.00 0.50 0.00 0.00 46.19 43.33 1n9r s LEU 42 CO 0.01 -1.62 1.00 0.58 -1.32 0.00 0.00 176.35 174.99 1n9r h VAL 43 N 6.19 1.59 -3.08 1.68 2.07 -1.41 0.28 116.25 123.57 1n9r h VAL 43 Ca -0.26 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.40 1n9r h VAL 43 Cb 1.06 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.62 1n9r h VAL 43 CO 1.21 0.51 0.19 -0.94 0.02 0.00 0.00 177.57 178.55 1n9r s SER 44 N -6.16 -0.23 0.00 0.57 1.04 -1.21 -4.65 113.70 103.06 1n9r s SER 44 Ca -0.17 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1n9r s SER 44 Cb -0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1n9r s SER 44 CO 0.71 -1.33 0.00 0.41 0.98 0.00 0.00 173.24 174.01 1n9r n THR 45 N -0.45 0.00 -3.55 2.02 -1.04 -1.26 -1.21 114.28 108.79 1n9r n THR 45 Ca -0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 1n9r n THR 45 Cb 0.59 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.21 -0.27 0.13 8.00 -4.77 -1.20 -4.99 116.67 113.37 1n9r s ASP 46 Ca 0.00 0.02 -0.02 0.00 -3.30 0.00 0.00 52.55 49.24 1n9r s ASP 46 Cb 0.00 0.28 0.25 0.00 -1.09 0.00 0.00 42.92 42.35 1n9r s ASP 46 CO 0.00 -0.44 0.71 0.59 0.70 0.00 0.00 175.17 176.73 1n9r n ASN 47 N -0.13 -0.13 0.00 2.11 3.02 -1.26 0.80 115.26 119.67 1n9r n ASN 47 Ca -0.05 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1n9r n ASN 47 Cb 0.60 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -4.68 0.00 -2.48 3.10 4.02 -1.26 -4.67 117.16 111.19 1n9r n TYR 48 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.76 1n9r n TYR 48 Cb 0.26 -0.09 -0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 -0.98 -1.13 -3.46 -0.72 3.01 0.24 -4.38 117.46 110.04 1n9r n PHE 49 Ca 0.00 0.07 -0.38 0.00 1.01 0.00 0.00 57.45 58.15 1n9r n PHE 49 Cb 0.03 -4.06 -0.09 0.00 -0.01 0.00 0.00 39.48 35.36 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 -2.15 6.23 0.08 4.37 0.01 -1.24 -2.41 114.94 119.83 1n9r s ASN 50 Ca 0.04 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.50 1n9r s ASN 50 Cb -0.02 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 1n9r s ASN 50 CO 0.05 -0.11 -0.14 -1.48 -1.51 0.00 0.00 177.10 173.90 1n9r s LEU 51 N 1.77 2.30 -0.19 0.60 0.05 -0.82 -3.27 118.68 119.12 1n9r s LEU 51 Ca 0.13 -0.65 -0.03 0.00 0.05 0.00 0.00 54.13 53.63 1n9r s LEU 51 Cb -0.15 -0.53 -0.01 0.00 -2.05 0.00 0.00 46.19 43.44 1n9r s LEU 51 CO 0.09 -0.08 -0.06 -1.58 -0.55 0.00 0.00 176.35 174.17 1n9r s GLN 52 N -1.89 3.44 -0.03 1.48 0.74 -0.35 -1.19 119.66 121.85 1n9r s GLN 52 Ca -0.00 -0.62 0.07 0.00 0.05 0.00 0.00 55.36 54.86 1n9r s GLN 52 Cb -0.09 -2.91 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1n9r s GLN 52 CO 0.02 -0.02 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.33 1n9r s LEU 53 N 1.01 2.05 0.09 3.68 2.96 -0.50 -0.99 118.68 126.97 1n9r s LEU 53 Ca 0.00 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1n9r s LEU 53 Cb -0.15 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1n9r s LEU 53 CO 0.00 0.28 -0.17 0.21 -1.32 0.00 0.00 176.35 175.35 1n9r s ASN 54 N -0.43 3.95 -1.43 3.68 3.84 0.72 -1.83 114.94 123.43 1n9r s ASN 54 Ca 0.05 -0.48 -0.09 0.00 0.21 0.00 0.00 52.86 52.55 1n9r s ASN 54 Cb -0.11 -0.62 0.05 0.00 -0.55 0.00 0.00 41.25 40.02 1n9r s ASN 54 CO 0.01 0.20 0.66 -0.62 -2.79 0.00 0.00 177.10 174.56 1n9r n GLU 55 N 1.03 -4.55 -1.93 0.43 1.02 -1.08 -1.87 120.64 113.70 1n9r n GLU 55 Ca -0.15 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.24 1n9r n GLU 55 Cb 0.52 -5.47 -0.01 0.00 -0.02 0.00 0.00 31.44 26.46 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 -3.11 3.52 -0.03 0.62 0.00 -0.61 -4.62 121.76 117.53 1n9r s ALA 56 Ca 0.43 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.86 1n9r s ALA 56 Cb -0.21 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1n9r s ALA 56 CO 0.54 -0.90 -0.07 -2.00 0.00 0.00 0.00 175.76 173.33 1n9r s GLU 57 N -2.00 0.88 -0.11 0.00 2.12 0.95 0.10 118.70 120.65 1n9r s GLU 57 Ca 0.52 -0.21 -0.21 0.00 0.36 0.00 0.00 54.97 55.42 1n9r s GLU 57 Cb -0.44 -0.84 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 1n9r s GLU 57 CO 0.59 0.03 0.61 -2.00 -0.54 0.00 0.00 175.26 173.94 1n9r s GLU 58 N 0.49 4.37 -0.13 4.30 2.12 -0.23 0.11 118.70 129.72 1n9r s GLU 58 Ca -0.07 0.69 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1n9r s GLU 58 Cb -0.11 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1n9r s GLU 58 CO 0.01 0.04 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.52 1n9r s PHE 59 N 0.93 2.36 -0.21 5.30 0.40 -0.19 -0.24 117.98 126.34 1n9r s PHE 59 Ca 0.32 -1.18 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 1n9r s PHE 59 Cb -0.16 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1n9r s PHE 59 CO 0.14 -0.56 -0.09 0.08 0.70 0.00 0.00 175.22 175.48 1n9r s VAL 60 N 0.92 2.95 -1.65 -0.44 1.01 -0.40 -1.07 120.40 121.71 1n9r s VAL 60 Ca -0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1n9r s VAL 60 Cb -0.15 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.05 1n9r s VAL 60 CO -0.02 0.46 0.77 0.00 0.00 0.00 0.00 175.10 176.31 1n9r n ALA 61 N 4.73 -1.35 -0.90 5.51 0.00 -0.22 -0.48 120.51 127.80 1n9r n ALA 61 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1n9r n ALA 61 Cb 0.51 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.57 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 -1.51 0.73 3.23 0.00 0.00 -1.26 -5.03 105.19 101.35 1n9r n GLY 62 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.80 1.99 0.14 1.61 1.01 0.36 -5.06 120.40 117.64 1n9r s VAL 63 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 1n9r s VAL 63 Cb 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 1n9r s VAL 63 CO 0.00 0.55 1.32 -0.55 0.00 0.00 0.00 175.10 176.42 1n9r s SER 64 N 0.07 6.90 -0.10 3.32 0.15 -1.26 -1.28 113.70 121.51 1n9r s SER 64 Ca -0.10 2.29 0.13 0.00 0.70 0.00 0.00 55.95 58.98 1n9r s SER 64 Cb -0.15 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 61.91 1n9r s SER 64 CO 0.06 -0.57 1.27 1.41 1.20 0.00 0.00 173.24 176.61 1n9r n HIS 65 N 3.44 0.50 0.00 3.44 8.25 0.67 -4.92 115.22 126.60 1n9r n HIS 65 Ca 0.09 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1n9r n HIS 65 Cb 0.43 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.42 3.29 3.70 -1.41 0.00 -1.25 -4.88 105.19 104.23 1n9r n GLY 66 Ca 0.15 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.35 4.81 0.42 2.61 2.01 -1.26 -1.07 115.64 120.81 1n9r s THR 67 Ca 0.00 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1n9r s THR 67 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1n9r s THR 67 CO 0.00 0.54 0.33 -0.76 -0.69 0.00 0.00 174.62 174.04 1n9r s LEU 68 N -0.31 3.32 0.00 4.42 1.43 0.11 -4.96 118.68 122.69 1n9r s LEU 68 Ca 0.09 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1n9r s LEU 68 Cb -0.12 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1n9r s LEU 68 CO 0.02 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1n9r n GLY 69 N -1.47 0.95 3.83 -3.19 0.00 -1.26 -3.73 105.19 100.31 1n9r n GLY 69 Ca 0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.78 0.04 1.61 0.41 -1.26 -1.57 118.70 121.71 1n9r s GLU 70 Ca 0.00 0.02 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 1n9r s GLU 70 Cb 0.00 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1n9r s GLU 70 CO 0.00 0.61 -0.08 0.96 -0.49 0.00 0.00 175.26 176.25 1n9r s ILE 71 N -0.61 0.58 -0.20 -1.63 -4.36 -0.76 -5.00 121.20 109.22 1n9r s ILE 71 Ca 0.16 -1.05 -0.03 0.00 -0.26 0.00 0.00 60.65 59.47 1n9r s ILE 71 Cb -0.13 -0.64 -0.00 0.00 1.25 0.00 0.00 42.46 42.94 1n9r s ILE 71 CO 0.05 -0.34 -0.08 -0.36 0.24 0.00 0.00 174.94 174.45 1n9r s PHE 72 N -1.30 2.91 -0.07 1.37 0.40 -1.26 -1.42 117.98 118.61 1n9r s PHE 72 Ca -0.09 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.19 1n9r s PHE 72 Cb -0.10 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1n9r s PHE 72 CO 0.01 -0.56 0.02 0.42 0.70 0.00 0.00 175.22 175.81 1n9r s ILE 73 N 1.33 4.45 0.01 0.64 1.01 -0.33 -4.99 121.20 123.32 1n9r s ILE 73 Ca 0.04 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1n9r s ILE 73 Cb -0.14 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 1n9r s ILE 73 CO -0.04 0.54 0.49 -0.13 0.00 0.00 0.00 174.94 175.80 1n9r s ARG 74 N -1.10 4.10 0.13 2.79 1.81 -1.26 -1.94 118.95 123.48 1n9r s ARG 74 Ca 0.15 0.56 -0.29 0.00 -1.72 0.00 0.00 55.73 54.43 1n9r s ARG 74 Cb -0.11 -3.26 -0.09 0.00 -0.45 0.00 0.00 34.95 31.04 1n9r s ARG 74 CO 0.05 0.59 1.50 0.00 -0.68 0.00 0.00 175.30 176.76 1n9r n ASN 76 N -5.11 0.24 -0.01 0.00 5.03 -1.26 0.14 115.26 114.29 1n9r n ASN 76 Ca -0.02 1.52 0.15 0.00 0.87 0.00 0.00 54.58 57.11 1n9r n ASN 76 Cb 0.29 -0.71 0.81 0.00 -1.02 0.00 0.00 39.78 39.15 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 -5.12 0.04 -4.72 6.41 3.02 -1.18 -4.79 115.26 108.92 1n9r n ASN 77 Ca 0.32 -0.43 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1n9r n ASN 77 Cb 1.09 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.39 5.02 -0.20 2.41 1.01 0.37 -1.30 120.40 125.32 1n9r s VAL 78 Ca 0.34 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 1n9r s VAL 78 Cb 0.21 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1n9r s VAL 78 CO 0.43 0.27 -0.08 -0.11 0.00 0.00 0.00 175.10 175.61 1n9r n LEU 79 N 3.67 1.88 -3.87 3.92 7.94 0.46 -4.73 117.00 126.26 1n9r n LEU 79 Ca -0.02 0.45 -0.08 0.00 -1.11 0.00 0.00 56.01 55.25 1n9r n LEU 79 Cb 0.51 -0.88 -0.03 0.00 0.53 0.00 0.00 43.42 43.55 1n9r n LEU 79 CO 0.47 0.08 0.39 -0.72 -1.11 0.00 0.00 177.39 176.50 1n9r s TYR 80 N -2.43 -0.07 -0.03 1.96 -0.85 -1.17 -5.04 117.35 109.73 1n9r s TYR 80 Ca -0.27 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 55.97 1n9r s TYR 80 Cb 0.07 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1n9r s TYR 80 CO 0.45 -1.15 -0.17 0.42 -1.52 0.00 0.00 175.55 173.58 1n9r s ILE 81 N -3.94 1.35 0.15 -3.49 1.01 -1.26 -2.31 121.20 112.72 1n9r s ILE 81 Ca 0.13 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1n9r s ILE 81 Cb -0.04 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1n9r s ILE 81 CO 0.06 0.39 -0.06 0.00 0.00 0.00 0.00 174.94 175.33 1n9r s ARG 82 N -0.19 1.05 -0.19 2.79 1.70 -0.66 -4.95 118.95 118.49 1n9r s ARG 82 Ca 0.02 -1.47 -0.21 0.00 -0.47 0.00 0.00 55.73 53.60 1n9r s ARG 82 Cb -0.09 -0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 33.83 1n9r s ARG 82 CO 0.01 -0.01 0.66 -2.00 -1.08 0.00 0.00 175.30 172.87 1n9r s GLU 83 N -3.82 4.23 0.06 3.89 2.12 -1.26 -0.14 118.70 123.78 1n9r s GLU 83 Ca 0.18 0.68 -0.31 0.00 0.36 0.00 0.00 54.97 55.89 1n9r s GLU 83 Cb 0.04 -3.57 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1n9r s GLU 83 CO 0.01 -0.24 1.32 -0.51 -0.54 0.00 0.00 175.26 175.30 1n9r s LEU 84 N 1.91 4.35 0.00 2.70 1.43 0.25 -4.91 118.68 124.41 1n9r s LEU 84 Ca 0.30 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1n9r s LEU 84 Cb -0.16 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1n9r s LEU 84 CO 0.11 -0.61 0.14 -0.81 0.23 0.00 0.00 176.35 175.40 1n9r n PRO 85 N 4.40 0.22 0.00 1.29 -0.04 -1.26 -4.79 135.00 134.82 1n9r n PRO 85 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1n9r n PRO 85 Cb 0.44 -1.18 0.43 0.00 -0.04 0.00 0.00 33.50 33.16 1n9r n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73