#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s n PHE 18 N 0.00 0.00 0.22 0.54 7.35 -1.26 -3.34 117.46 120.98 1n9s n PHE 18 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1n9s n PHE 18 Cb 0.00 -0.21 0.45 0.00 0.35 0.00 0.00 39.48 40.07 1n9s n PHE 18 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n9s h LEU 19 N 0.00 0.00 -1.72 -2.13 3.38 -1.99 -3.10 115.31 109.75 1n9s h LEU 19 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n9s h LEU 19 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n9s h LEU 19 CO 0.00 0.21 -0.13 0.11 0.09 0.00 0.00 178.44 178.72 1n9s h LYS 20 N 0.00 0.00 -1.19 1.13 1.57 -1.99 -2.57 116.57 113.51 1n9s h LYS 20 Ca -0.00 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.12 1n9s h LYS 20 Cb 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1n9s h LYS 20 CO 0.03 0.13 0.85 0.78 -0.57 0.00 0.00 179.45 180.66 1n9s h GLY 21 N 1.25 0.15 0.13 3.86 0.00 -1.54 -0.10 103.07 106.82 1n9s h GLY 21 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1n9s h GLY 21 CO 0.02 -0.02 -0.19 1.04 0.00 0.00 0.00 176.54 177.39 1n9s n LEU 22 N -4.23 1.09 -4.58 3.11 4.77 -0.97 -4.95 117.00 111.24 1n9s n LEU 22 Ca 0.26 -0.30 -0.37 0.00 -0.03 0.00 0.00 56.01 55.57 1n9s n LEU 22 Cb 1.23 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 42.28 1n9s n LEU 22 CO 0.39 0.20 0.42 0.52 -1.33 0.00 0.00 177.39 177.59 1n9s n VAL 23 N -0.49 3.31 -1.91 4.08 0.31 -0.05 -1.54 118.33 122.04 1n9s n VAL 23 Ca 0.14 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.86 1n9s n VAL 23 Cb 0.34 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 1n9s n VAL 23 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1n9s n ASN 24 N -0.64 -3.72 -4.48 4.52 3.02 -0.77 -4.94 115.26 108.25 1n9s n ASN 24 Ca 0.13 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.69 1n9s n ASN 24 Cb 0.48 -3.31 -0.10 0.00 -0.61 0.00 0.00 39.78 36.24 1n9s n ASN 24 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1n9s s HIS 25 N -2.37 2.34 -0.36 3.10 3.76 -0.59 -4.87 115.29 116.31 1n9s s HIS 25 Ca 0.00 -0.32 -0.23 0.00 -0.15 0.00 0.00 55.06 54.35 1n9s s HIS 25 Cb 0.00 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.64 1n9s s HIS 25 CO 0.00 0.65 0.79 0.50 -0.85 0.00 0.00 174.74 175.83 1n9s s ARG 26 N -3.31 3.77 0.36 1.40 3.52 -1.26 -0.27 118.95 123.16 1n9s s ARG 26 Ca 0.28 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 56.28 1n9s s ARG 26 Cb -0.06 -3.80 -0.07 0.00 -1.56 0.00 0.00 34.95 29.46 1n9s s ARG 26 CO 0.14 -0.84 0.01 0.14 -0.81 0.00 0.00 175.30 173.94 1n9s s VAL 27 N 3.11 1.69 -0.19 7.11 -7.23 0.17 0.15 120.40 125.21 1n9s s VAL 27 Ca 0.32 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1n9s s VAL 27 Cb -0.13 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1n9s s VAL 27 CO 0.17 -0.05 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.89 1n9s s GLY 28 N -3.59 1.41 -0.28 2.32 0.00 0.44 -1.84 107.32 105.78 1n9s s GLY 28 Ca 0.35 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 1n9s s GLY 28 CO 0.16 0.30 0.20 0.14 0.00 0.00 0.00 173.10 173.91 1n9s s VAL 29 N 1.29 5.30 -0.10 1.40 1.01 0.12 -0.22 120.40 129.20 1n9s s VAL 29 Ca 0.04 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1n9s s VAL 29 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1n9s s VAL 29 CO -0.12 0.25 -0.03 -0.75 0.00 0.00 0.00 175.10 174.44 1n9s s LYS 30 N 1.74 3.12 0.39 2.72 2.47 -0.09 0.55 119.74 130.65 1n9s s LYS 30 Ca 0.08 -0.48 0.02 0.00 -1.56 0.00 0.00 55.97 54.03 1n9s s LYS 30 Cb -0.16 -2.77 -0.01 0.00 -1.46 0.00 0.00 37.83 33.43 1n9s s LYS 30 CO 0.11 0.55 0.58 -0.51 0.16 0.00 0.00 175.35 176.24 1n9s s LEU 31 N -0.48 3.82 0.17 5.43 1.43 -0.29 -1.06 118.68 127.70 1n9s s LEU 31 Ca 0.08 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 1n9s s LEU 31 Cb -0.12 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1n9s s LEU 31 CO 0.02 -0.54 1.61 0.11 0.23 0.00 0.00 176.35 177.78 1n9s h LYS 32 N 0.62 1.04 -5.79 1.70 1.57 -1.82 -3.42 116.57 110.48 1n9s h LYS 32 Ca -0.47 -0.37 -0.67 0.00 -1.87 0.00 0.00 60.65 57.28 1n9s h LYS 32 Cb 1.25 -0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.29 1n9s h LYS 32 CO 0.57 1.06 -0.67 -0.59 -0.57 0.00 0.00 179.45 179.26 1n9s s PHE 33 N -4.91 3.03 0.03 -1.35 -0.12 -1.26 -4.94 117.98 108.45 1n9s s PHE 33 Ca -0.12 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1n9s s PHE 33 Cb 0.13 -1.82 0.00 0.00 -0.63 0.00 0.00 43.02 40.70 1n9s s PHE 33 CO 0.86 0.23 0.00 0.09 -0.05 0.00 0.00 175.22 176.35 1n9s n ASN 34 N 2.68 -1.01 -1.90 1.98 3.02 -1.26 -4.24 115.26 114.54 1n9s n ASN 34 Ca -0.18 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1n9s n ASN 34 Cb 0.53 -0.38 0.23 0.00 -0.61 0.00 0.00 39.78 39.55 1n9s n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n9s n SER 35 N -0.78 3.94 -4.75 6.41 3.41 -1.26 -4.85 113.62 115.74 1n9s n SER 35 Ca 0.00 -3.47 -0.41 0.00 -0.26 0.00 0.00 58.87 54.73 1n9s n SER 35 Cb 0.06 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 1n9s n SER 35 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n9s s THR 36 N -3.16 3.32 -0.02 6.66 2.01 -1.26 -3.86 115.64 119.33 1n9s s THR 36 Ca 0.54 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1n9s s THR 36 Cb 0.45 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1n9s s THR 36 CO 0.10 0.24 0.02 -0.70 -0.69 0.00 0.00 174.62 173.58 1n9s s GLU 37 N -0.87 0.08 -0.18 4.92 2.12 0.34 -1.14 118.70 123.96 1n9s s GLU 37 Ca 0.50 0.13 -0.08 0.00 0.36 0.00 0.00 54.97 55.88 1n9s s GLU 37 Cb -0.34 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 1n9s s GLU 37 CO 0.41 -0.14 0.09 0.71 -0.54 0.00 0.00 175.26 175.80 1n9s s TYR 38 N 0.93 3.33 -0.07 5.30 1.51 0.19 -0.05 117.35 128.49 1n9s s TYR 38 Ca -0.08 0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 1n9s s TYR 38 Cb -0.12 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1n9s s TYR 38 CO -0.02 0.26 -0.23 1.03 -1.11 0.00 0.00 175.55 175.48 1n9s s ARG 39 N 0.20 2.73 0.00 -0.62 0.52 -0.66 0.15 118.95 121.26 1n9s s ARG 39 Ca 0.06 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1n9s s ARG 39 Cb -0.12 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.11 1n9s s ARG 39 CO -0.00 0.35 0.23 0.41 0.02 0.00 0.00 175.30 176.31 1n9s n GLY 40 N 3.06 0.63 3.68 -3.53 0.00 -0.77 0.53 105.19 108.79 1n9s n GLY 40 Ca -0.18 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1n9s n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 41 N -2.17 5.23 -0.78 2.61 2.01 -0.97 0.41 115.64 121.99 1n9s s THR 41 Ca 0.05 0.62 -0.24 0.00 0.31 0.00 0.00 61.69 62.44 1n9s s THR 41 Cb -0.00 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.88 1n9s s THR 41 CO 0.00 0.29 1.17 -0.22 -0.69 0.00 0.00 174.62 175.16 1n9s s LEU 42 N 1.13 3.93 0.01 4.42 2.96 0.62 -0.72 118.68 131.03 1n9s s LEU 42 Ca 0.17 -1.02 -0.19 0.00 -0.22 0.00 0.00 54.13 52.87 1n9s s LEU 42 Cb -0.14 -2.49 -0.11 0.00 0.50 0.00 0.00 46.19 43.95 1n9s s LEU 42 CO 0.07 -1.54 0.96 0.58 -1.32 0.00 0.00 176.35 175.10 1n9s h VAL 43 N 6.10 0.00 -3.83 1.68 2.07 -0.58 -2.05 116.25 119.64 1n9s h VAL 43 Ca -0.15 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1n9s h VAL 43 Cb 1.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.68 1n9s h VAL 43 CO 1.24 0.00 -0.38 -0.94 0.02 0.00 0.00 177.57 177.51 1n9s s SER 44 N -3.98 0.14 0.07 0.57 1.04 -1.17 -4.54 113.70 105.82 1n9s s SER 44 Ca -0.10 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 1n9s s SER 44 Cb 0.01 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1n9s s SER 44 CO 0.30 -0.72 0.09 0.41 0.98 0.00 0.00 173.24 174.30 1n9s n THR 45 N -0.05 0.00 -3.64 2.02 -1.04 -1.26 -0.97 114.28 109.33 1n9s n THR 45 Ca -0.15 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.44 1n9s n THR 45 Cb 0.62 0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 1n9s n THR 45 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1n9s s ASP 46 N -1.40 -0.48 0.00 8.00 -4.77 -1.20 -4.97 116.67 111.85 1n9s s ASP 46 Ca 0.05 0.93 0.00 0.00 -3.30 0.00 0.00 52.55 50.23 1n9s s ASP 46 Cb -0.00 0.94 0.00 0.00 -1.09 0.00 0.00 42.92 42.77 1n9s s ASP 46 CO 0.04 -0.16 0.00 0.59 0.70 0.00 0.00 175.17 176.34 1n9s n ASN 47 N 2.29 0.00 0.00 2.11 3.02 -1.26 0.37 115.26 121.79 1n9s n ASN 47 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1n9s n ASN 47 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1n9s n ASN 47 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9s n TYR 48 N -2.93 0.00 -1.11 3.10 4.02 -1.26 -4.80 117.16 114.18 1n9s n TYR 48 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1n9s n TYR 48 Cb 0.00 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 1n9s n TYR 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1n9s n PHE 49 N -1.22 0.00 -2.84 -0.72 3.01 1.17 -4.52 117.46 112.34 1n9s n PHE 49 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1n9s n PHE 49 Cb 0.02 -1.90 -0.06 0.00 -0.01 0.00 0.00 39.48 37.53 1n9s n PHE 49 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1n9s s ASN 50 N -2.19 7.54 0.14 4.37 0.01 -1.21 -3.83 114.94 119.78 1n9s s ASN 50 Ca 0.00 1.83 0.01 0.00 -0.71 0.00 0.00 52.86 53.99 1n9s s ASN 50 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1n9s s ASN 50 CO 0.00 0.17 -0.01 -1.48 -1.51 0.00 0.00 177.10 174.27 1n9s s LEU 51 N -1.21 2.19 -0.20 0.60 0.05 0.34 -3.22 118.68 117.22 1n9s s LEU 51 Ca 0.40 -1.12 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1n9s s LEU 51 Cb -0.25 0.01 0.03 0.00 -2.05 0.00 0.00 46.19 43.93 1n9s s LEU 51 CO 0.30 -0.57 -0.18 -1.58 -0.55 0.00 0.00 176.35 173.77 1n9s s GLN 52 N -3.91 2.81 -0.11 1.48 0.74 -0.15 -0.69 119.66 119.82 1n9s s GLN 52 Ca 0.20 -0.96 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 1n9s s GLN 52 Cb 0.06 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 1n9s s GLN 52 CO 0.01 -0.30 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.20 1n9s s LEU 53 N 1.24 3.05 0.09 3.68 2.96 -0.62 0.19 118.68 129.28 1n9s s LEU 53 Ca 0.02 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1n9s s LEU 53 Cb -0.15 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1n9s s LEU 53 CO -0.11 0.24 0.06 0.21 -1.32 0.00 0.00 176.35 175.43 1n9s s ASN 54 N -0.07 5.36 -1.36 3.68 3.84 0.10 -1.60 114.94 124.90 1n9s s ASN 54 Ca 0.00 -0.07 -0.05 0.00 0.21 0.00 0.00 52.86 52.94 1n9s s ASN 54 Cb -0.13 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 39.18 1n9s s ASN 54 CO 0.03 0.17 0.46 -0.62 -2.79 0.00 0.00 177.10 174.35 1n9s n GLU 55 N 0.43 -2.63 -2.63 0.43 1.02 -1.23 -2.30 120.64 113.72 1n9s n GLU 55 Ca -0.09 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.01 1n9s n GLU 55 Cb 0.52 -4.29 -0.04 0.00 -0.02 0.00 0.00 31.44 27.61 1n9s n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9s s ALA 56 N -3.89 3.30 -0.11 0.62 0.00 -1.07 -4.41 121.76 116.21 1n9s s ALA 56 Ca 0.10 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1n9s s ALA 56 Cb -0.04 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1n9s s ALA 56 CO 0.90 -0.11 -0.18 -2.00 0.00 0.00 0.00 175.76 174.37 1n9s s GLU 57 N -0.12 2.48 -0.02 0.00 2.12 0.19 -0.77 118.70 122.57 1n9s s GLU 57 Ca 0.48 -0.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.90 1n9s s GLU 57 Cb -0.26 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1n9s s GLU 57 CO 0.32 0.01 0.77 -2.00 -0.54 0.00 0.00 175.26 173.82 1n9s s GLU 58 N 0.79 4.48 -0.07 4.30 2.12 0.29 -1.66 118.70 128.95 1n9s s GLU 58 Ca -0.10 1.04 0.04 0.00 0.36 0.00 0.00 54.97 56.31 1n9s s GLU 58 Cb -0.16 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 1n9s s GLU 58 CO 0.01 0.10 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.57 1n9s s PHE 59 N 0.62 2.09 -0.12 5.30 0.40 0.92 0.50 117.98 127.69 1n9s s PHE 59 Ca 0.41 -0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1n9s s PHE 59 Cb -0.19 -1.41 0.03 0.00 0.51 0.00 0.00 43.02 41.96 1n9s s PHE 59 CO 0.21 -0.27 -0.06 0.08 0.70 0.00 0.00 175.22 175.88 1n9s s VAL 60 N 0.19 0.98 -2.13 -0.44 1.01 0.30 -0.50 120.40 119.80 1n9s s VAL 60 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1n9s s VAL 60 Cb -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1n9s s VAL 60 CO 0.05 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1n9s n ALA 61 N 4.95 -0.31 -0.98 5.51 0.00 -1.25 -0.85 120.51 127.58 1n9s n ALA 61 Ca -0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1n9s n ALA 61 Cb 0.49 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1n9s n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9s n GLY 62 N -0.50 0.46 3.19 0.00 0.00 -1.26 -5.04 105.19 102.04 1n9s n GLY 62 Ca -0.20 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 1n9s n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n9s s VAL 63 N -2.00 1.55 -0.09 1.61 1.01 -0.03 -5.08 120.40 117.37 1n9s s VAL 63 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1n9s s VAL 63 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1n9s s VAL 63 CO 0.00 0.44 1.25 -0.55 0.00 0.00 0.00 175.10 176.24 1n9s s SER 64 N -0.35 6.98 -0.37 3.32 0.15 -1.26 -0.54 113.70 121.64 1n9s s SER 64 Ca 0.05 1.82 0.07 0.00 0.70 0.00 0.00 55.95 58.58 1n9s s SER 64 Cb -0.09 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 62.29 1n9s s SER 64 CO 0.00 -0.67 1.74 1.41 1.20 0.00 0.00 173.24 176.93 1n9s n HIS 65 N 5.73 2.27 0.00 3.44 8.25 0.18 -4.97 115.22 130.13 1n9s n HIS 65 Ca 0.12 -1.66 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 1n9s n HIS 65 Cb 0.45 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1n9s n HIS 65 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9s n GLY 66 N -1.00 0.03 3.14 -1.41 0.00 -1.25 -4.80 105.19 99.91 1n9s n GLY 66 Ca 0.48 -2.29 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 1n9s n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9s s THR 67 N -0.62 1.62 0.30 2.61 2.01 -1.26 -0.54 115.64 119.75 1n9s s THR 67 Ca 0.00 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1n9s s THR 67 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1n9s s THR 67 CO 0.00 0.46 0.15 -0.76 -0.69 0.00 0.00 174.62 173.78 1n9s s LEU 68 N 0.39 3.43 0.00 4.42 1.43 0.05 -4.96 118.68 123.44 1n9s s LEU 68 Ca -0.14 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1n9s s LEU 68 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1n9s s LEU 68 CO 0.06 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1n9s n GLY 69 N -1.14 0.59 3.64 -3.19 0.00 -1.26 -3.11 105.19 100.71 1n9s n GLY 69 Ca -0.05 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1n9s n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9s s GLU 70 N 0.00 4.14 0.08 1.61 0.41 -1.26 -2.58 118.70 121.09 1n9s s GLU 70 Ca 0.00 0.87 0.08 0.00 -0.41 0.00 0.00 54.97 55.51 1n9s s GLU 70 Cb 0.00 -3.66 -0.04 0.00 -1.78 0.00 0.00 34.13 28.65 1n9s s GLU 70 CO 0.00 -0.55 -0.18 0.96 -0.49 0.00 0.00 175.26 174.99 1n9s s ILE 71 N 2.87 2.79 -0.30 -1.63 -4.36 -0.63 -5.00 121.20 114.95 1n9s s ILE 71 Ca 0.34 -1.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1n9s s ILE 71 Cb -0.15 -2.23 0.03 0.00 1.25 0.00 0.00 42.46 41.36 1n9s s ILE 71 CO 0.08 0.21 0.03 -0.36 0.24 0.00 0.00 174.94 175.15 1n9s s PHE 72 N -1.04 3.19 -0.11 1.37 0.40 -1.26 -1.59 117.98 118.93 1n9s s PHE 72 Ca 0.16 -1.46 -0.06 0.00 -0.60 0.00 0.00 56.93 54.97 1n9s s PHE 72 Cb -0.10 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1n9s s PHE 72 CO 0.08 -0.71 0.11 0.42 0.70 0.00 0.00 175.22 175.82 1n9s s ILE 73 N 1.37 5.29 0.14 0.64 1.01 0.13 -4.96 121.20 124.82 1n9s s ILE 73 Ca -0.01 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 1n9s s ILE 73 Cb -0.18 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 1n9s s ILE 73 CO -0.00 0.62 0.60 -0.13 0.00 0.00 0.00 174.94 176.03 1n9s s ARG 74 N -0.98 4.12 0.14 2.79 1.81 -1.26 -0.51 118.95 125.05 1n9s s ARG 74 Ca 0.15 0.66 -0.26 0.00 -1.72 0.00 0.00 55.73 54.56 1n9s s ARG 74 Cb -0.12 -3.01 -0.02 0.00 -0.45 0.00 0.00 34.95 31.34 1n9s s ARG 74 CO 0.04 0.51 1.60 1.03 -0.68 0.00 0.00 175.30 177.80 1n9s h SER 75 N 3.82 -1.08 -1.93 0.23 0.87 -1.80 -3.04 113.55 110.63 1n9s h SER 75 Ca -0.49 0.16 0.56 0.00 -1.23 0.00 0.00 61.79 60.79 1n9s h SER 75 Cb 1.20 0.46 -0.08 0.00 -0.44 0.00 0.00 62.40 63.54 1n9s h SER 75 CO 0.65 -0.37 1.38 0.78 -0.53 0.00 0.00 176.83 178.74 1n9s h ASN 76 N -0.41 0.01 -0.17 6.23 -0.26 -1.91 0.70 115.58 119.78 1n9s h ASN 76 Ca 0.10 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1n9s h ASN 76 Cb 0.57 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1n9s h ASN 76 CO -0.38 -0.01 0.00 0.59 -1.06 0.00 0.00 177.43 176.57 1n9s n ASN 77 N -3.98 1.76 -4.73 5.81 3.02 -1.15 -4.91 115.26 111.09 1n9s n ASN 77 Ca 0.44 -1.71 -0.35 0.00 -0.03 0.00 0.00 54.58 52.92 1n9s n ASN 77 Cb 1.98 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 40.96 1n9s n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n9s s VAL 78 N -1.79 5.31 -0.13 2.41 1.01 0.24 -2.77 120.40 124.69 1n9s s VAL 78 Ca 0.33 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1n9s s VAL 78 Cb 0.18 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1n9s s VAL 78 CO 0.27 0.47 -0.07 0.25 0.00 0.00 0.00 175.10 176.01 1n9s h LEU 79 N 6.47 0.00 -7.67 3.92 5.85 -1.35 -3.44 115.31 119.08 1n9s h LEU 79 Ca -0.42 -0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.42 1n9s h LEU 79 Cb 1.16 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1n9s h LEU 79 CO 0.73 0.72 0.48 -0.72 -0.34 0.00 0.00 178.44 179.32 1n9s s TYR 80 N -2.03 -0.13 -0.05 1.25 -0.85 -1.17 -5.02 117.35 109.36 1n9s s TYR 80 Ca -0.11 -0.18 0.04 0.00 -0.52 0.00 0.00 57.07 56.29 1n9s s TYR 80 Cb 0.01 0.64 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1n9s s TYR 80 CO 0.18 -0.83 -0.15 0.42 -1.52 0.00 0.00 175.55 173.65 1n9s s ILE 81 N -3.29 1.27 0.20 -3.49 1.01 -1.26 -0.91 121.20 114.73 1n9s s ILE 81 Ca 0.12 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1n9s s ILE 81 Cb -0.01 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1n9s s ILE 81 CO 0.02 0.37 -0.10 0.00 0.00 0.00 0.00 174.94 175.24 1n9s s ARG 82 N 0.21 1.28 -0.20 2.79 1.70 0.69 -4.92 118.95 120.50 1n9s s ARG 82 Ca -0.06 -1.59 -0.21 0.00 -0.47 0.00 0.00 55.73 53.40 1n9s s ARG 82 Cb -0.12 -0.89 -0.02 0.00 -0.57 0.00 0.00 34.95 33.35 1n9s s ARG 82 CO 0.02 0.08 0.64 -2.00 -1.08 0.00 0.00 175.30 172.97 1n9s s GLU 83 N -3.72 4.20 -0.06 3.89 2.12 -1.26 0.17 118.70 124.03 1n9s s GLU 83 Ca 0.23 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 1n9s s GLU 83 Cb 0.02 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1n9s s GLU 83 CO 0.06 -0.27 1.25 -0.51 -0.54 0.00 0.00 175.26 175.26 1n9s s LEU 84 N 2.00 4.27 -0.82 2.70 1.43 0.40 -4.84 118.68 123.81 1n9s s LEU 84 Ca 0.29 1.86 -0.35 0.00 -1.03 0.00 0.00 54.13 54.90 1n9s s LEU 84 Cb -0.16 -3.56 -0.21 0.00 0.03 0.00 0.00 46.19 42.30 1n9s s LEU 84 CO 0.10 -0.64 2.51 -0.81 0.23 0.00 0.00 176.35 177.75 1n9s n PRO 85 N 5.43 0.04 0.00 1.29 -0.04 -1.26 -4.85 135.00 135.61 1n9s n PRO 85 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1n9s n PRO 85 Cb 0.45 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73