#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 0.41 6.00 3.01 -1.26 -4.82 117.46 120.80 1n9s n PHE 18 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 1n9s n PHE 18 Cb 0.00 0.00 0.39 0.00 -0.01 0.00 0.00 39.48 39.86 1n9s n PHE 18 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1n9s h LEU 19 N 0.00 0.00 -1.36 4.37 3.38 -1.98 -3.09 115.31 116.63 1n9s h LEU 19 Ca 0.00 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.38 1n9s h LEU 19 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1n9s h LEU 19 CO 0.00 0.00 0.80 0.50 0.09 0.00 0.00 178.44 179.83 1n9s h LYS 20 N 0.00 0.11 -1.01 1.13 3.64 -1.96 3.84 116.57 122.32 1n9s h LYS 20 Ca 0.00 -0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.65 1n9s h LYS 20 Cb 0.73 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 1n9s h LYS 20 CO 0.00 0.07 0.60 0.78 -2.27 0.00 0.00 179.45 178.63 1n9s h GLY 21 N 0.12 1.92 -0.88 5.01 0.00 -1.89 0.06 103.07 107.40 1n9s h GLY 21 Ca 0.80 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1n9s h GLY 21 CO -0.44 -0.32 0.00 1.04 0.00 0.00 0.00 176.54 176.82 1n9s n LEU 22 N -4.92 1.93 -4.73 3.11 4.77 1.27 -4.93 117.00 113.50 1n9s n LEU 22 Ca 0.28 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 1n9s n LEU 22 Cb 0.83 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.93 1n9s n LEU 22 CO 0.15 0.32 0.97 0.52 -1.33 0.00 0.00 177.39 178.02 1n9s n VAL 23 N 0.51 2.39 -1.12 4.08 0.31 0.01 -1.16 118.33 123.34 1n9s n VAL 23 Ca 0.18 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.96 1n9s n VAL 23 Cb 0.42 -1.70 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.29 -4.14 -4.70 4.52 3.02 0.23 -4.99 115.26 109.49 1n9s n ASN 24 Ca 0.05 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.45 1n9s n ASN 24 Cb 0.39 -2.00 -0.07 0.00 -0.61 0.00 0.00 39.78 37.49 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 -1.94 2.91 0.01 3.10 3.76 -0.31 -4.85 115.29 117.97 1n9s s HIS 25 Ca 0.00 -0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 1n9s s HIS 25 Cb 0.00 -1.37 -0.05 0.00 1.11 0.00 0.00 32.58 32.26 1n9s s HIS 25 CO 0.00 0.54 1.33 0.50 -0.85 0.00 0.00 174.74 176.26 1n9s s ARG 26 N -3.20 4.32 0.18 1.40 3.52 -1.26 -1.29 118.95 122.61 1n9s s ARG 26 Ca 0.29 1.89 0.02 0.00 -0.13 0.00 0.00 55.73 57.81 1n9s s ARG 26 Cb -0.09 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1n9s s ARG 26 CO 0.20 -0.48 -0.01 0.14 -0.81 0.00 0.00 175.30 174.34 1n9s s VAL 27 N 1.99 0.78 -0.10 7.11 -7.23 0.14 -2.00 120.40 121.08 1n9s s VAL 27 Ca 0.62 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1n9s s VAL 27 Cb -0.30 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1n9s s VAL 27 CO 0.26 -0.50 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.51 1n9s s GLY 28 N -3.19 1.26 -0.25 2.32 0.00 0.16 -1.51 107.32 106.11 1n9s s GLY 28 Ca 0.23 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 44.03 1n9s s GLY 28 CO 0.04 -0.23 -0.05 0.14 0.00 0.00 0.00 173.10 172.99 1n9s s VAL 29 N 0.44 2.88 -0.17 1.40 1.01 0.14 -0.99 120.40 125.11 1n9s s VAL 29 Ca -0.17 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 1n9s s VAL 29 Cb -0.17 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1n9s s VAL 29 CO 0.07 0.16 0.08 -0.75 0.00 0.00 0.00 175.10 174.67 1n9s s LYS 30 N 1.31 3.88 0.28 2.72 2.47 -0.70 0.02 119.74 129.72 1n9s s LYS 30 Ca -0.01 -0.29 -0.04 0.00 -1.56 0.00 0.00 55.97 54.08 1n9s s LYS 30 Cb -0.17 -3.23 -0.05 0.00 -1.46 0.00 0.00 37.83 32.92 1n9s s LYS 30 CO -0.04 0.39 0.53 -0.51 0.16 0.00 0.00 175.35 175.87 1n9s s LEU 31 N 0.07 4.08 0.11 5.43 1.43 -0.98 0.69 118.68 129.50 1n9s s LEU 31 Ca 0.07 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 1n9s s LEU 31 Cb -0.12 -3.45 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1n9s s LEU 31 CO 0.00 -0.18 1.62 0.11 0.23 0.00 0.00 176.35 178.13 1n9s h LYS 32 N 1.64 -0.58 -6.45 1.70 1.57 -1.66 -3.42 116.57 109.37 1n9s h LYS 32 Ca -0.48 0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 57.86 1n9s h LYS 32 Cb 1.19 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1n9s h LYS 32 CO 0.66 -0.38 -0.23 -0.59 -0.57 0.00 0.00 179.45 178.33 1n9s s PHE 33 N -6.01 3.49 0.00 -1.35 -0.12 -1.26 -4.91 117.98 107.82 1n9s s PHE 33 Ca -0.16 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 1n9s s PHE 33 Cb 0.07 -1.84 0.00 0.00 -0.63 0.00 0.00 43.02 40.62 1n9s s PHE 33 CO 0.64 0.19 0.00 0.09 -0.05 0.00 0.00 175.22 176.09 1n9s n ASN 34 N -1.65 0.00 -2.68 1.98 3.02 -1.26 -4.27 115.26 110.40 1n9s n ASN 34 Ca -0.05 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.42 1n9s n ASN 34 Cb 0.56 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.80 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 -1.75 0.15 -4.86 6.41 3.41 -1.26 -4.98 113.62 110.74 1n9s n SER 35 Ca 0.00 -2.59 -0.37 0.00 -0.26 0.00 0.00 58.87 55.65 1n9s n SER 35 Cb 0.00 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.85 5.45 -0.01 6.66 2.01 -1.26 -1.75 115.64 124.89 1n9s s THR 36 Ca 0.25 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1n9s s THR 36 Cb 0.43 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1n9s s THR 36 CO -0.01 0.59 0.01 -0.70 -0.69 0.00 0.00 174.62 173.82 1n9s s GLU 37 N -0.86 0.07 -0.25 4.92 2.12 0.14 -2.32 118.70 122.52 1n9s s GLU 37 Ca 0.15 0.08 -0.10 0.00 0.36 0.00 0.00 54.97 55.47 1n9s s GLU 37 Cb -0.12 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 1n9s s GLU 37 CO 0.04 -0.09 0.14 0.71 -0.54 0.00 0.00 175.26 175.52 1n9s s TYR 38 N 0.64 3.21 0.01 5.30 1.51 0.10 -0.94 117.35 127.18 1n9s s TYR 38 Ca -0.06 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1n9s s TYR 38 Cb -0.08 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1n9s s TYR 38 CO -0.02 -0.12 -0.11 1.03 -1.11 0.00 0.00 175.55 175.23 1n9s s ARG 39 N 1.41 2.42 0.00 -0.62 0.52 -0.93 0.28 118.95 122.03 1n9s s ARG 39 Ca 0.07 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1n9s s ARG 39 Cb -0.15 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1n9s s ARG 39 CO 0.07 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.38 1n9s n GLY 40 N 1.66 -0.94 3.73 -3.53 0.00 -0.57 0.14 105.19 105.68 1n9s n GLY 40 Ca -0.16 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.00 5.00 -0.53 2.61 2.01 0.13 0.23 115.64 122.09 1n9s s THR 41 Ca 0.00 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.13 1n9s s THR 41 Cb 0.00 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.55 1n9s s THR 41 CO 0.00 0.30 0.91 -0.22 -0.69 0.00 0.00 174.62 174.93 1n9s s LEU 42 N 0.49 4.15 -0.14 4.42 2.96 -0.41 0.32 118.68 130.47 1n9s s LEU 42 Ca 0.35 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1n9s s LEU 42 Cb -0.18 -2.85 -0.26 0.00 0.50 0.00 0.00 46.19 43.40 1n9s s LEU 42 CO 0.18 -1.17 0.76 0.58 -1.32 0.00 0.00 176.35 175.38 1n9s h VAL 43 N 6.02 1.78 -3.43 1.68 2.07 -1.41 0.66 116.25 123.62 1n9s h VAL 43 Ca -0.26 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 64.87 1n9s h VAL 43 Cb 1.08 3.38 -0.11 0.00 -1.52 0.00 0.00 31.29 34.12 1n9s h VAL 43 CO 1.07 0.61 -0.05 -0.94 0.02 0.00 0.00 177.57 178.27 1n9s s SER 44 N -6.24 -0.19 0.15 0.57 1.04 -1.14 -4.68 113.70 103.21 1n9s s SER 44 Ca -0.19 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 1n9s s SER 44 Cb -0.03 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1n9s s SER 44 CO 0.69 -1.00 0.41 0.41 0.98 0.00 0.00 173.24 174.73 1n9s n THR 45 N -0.30 0.00 -3.62 2.02 -1.04 -1.26 -0.48 114.28 109.59 1n9s n THR 45 Ca -0.10 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.05 61.46 1n9s n THR 45 Cb 0.63 0.43 -0.05 0.00 -1.82 0.00 0.00 70.33 69.52 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 -2.03 -0.19 0.01 8.00 -4.77 -1.19 -4.99 116.67 111.51 1n9s s ASP 46 Ca 0.09 0.27 -0.00 0.00 -3.30 0.00 0.00 52.55 49.60 1n9s s ASP 46 Cb -0.02 0.23 0.02 0.00 -1.09 0.00 0.00 42.92 42.06 1n9s s ASP 46 CO 0.05 -0.14 0.05 0.59 0.70 0.00 0.00 175.17 176.41 1n9s n ASN 47 N 1.00 -0.01 0.15 2.11 3.02 -1.26 0.26 115.26 120.53 1n9s n ASN 47 Ca -0.07 0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 1n9s n ASN 47 Cb 0.58 -0.02 0.43 0.00 -0.61 0.00 0.00 39.78 40.16 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 -3.90 0.54 -1.00 3.10 4.02 -1.26 -4.82 117.16 113.84 1n9s n TYR 48 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1n9s n TYR 48 Cb 0.02 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 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 -2.08 0.00 -2.65 -0.72 3.01 0.74 -4.57 117.46 111.19 1n9s n PHE 49 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 1n9s n PHE 49 Cb 0.16 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 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 -2.20 7.41 0.02 4.37 0.01 -1.24 -3.91 114.94 119.40 1n9s s ASN 50 Ca 0.00 1.89 -0.01 0.00 -0.71 0.00 0.00 52.86 54.04 1n9s s ASN 50 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1n9s s ASN 50 CO 0.00 -0.13 -0.02 -1.48 -1.51 0.00 0.00 177.10 173.96 1n9s s LEU 51 N -0.05 2.23 -0.17 0.60 0.05 -0.80 -3.17 118.68 117.36 1n9s s LEU 51 Ca 0.48 -0.56 -0.08 0.00 0.05 0.00 0.00 54.13 54.02 1n9s s LEU 51 Cb -0.25 0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 44.00 1n9s s LEU 51 CO 0.31 -0.36 0.08 -1.58 -0.55 0.00 0.00 176.35 174.26 1n9s s GLN 52 N -1.86 3.90 -0.05 1.48 0.74 0.36 -0.41 119.66 123.82 1n9s s GLN 52 Ca -0.12 -0.29 0.05 0.00 0.05 0.00 0.00 55.36 55.05 1n9s s GLN 52 Cb -0.07 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 1n9s s GLN 52 CO -0.02 0.37 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.70 1n9s s LEU 53 N 0.12 1.99 -0.08 3.68 2.96 -0.48 -1.01 118.68 125.85 1n9s s LEU 53 Ca 0.06 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1n9s s LEU 53 Cb -0.12 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1n9s s LEU 53 CO 0.00 0.19 -0.11 0.21 -1.32 0.00 0.00 176.35 175.33 1n9s s ASN 54 N -0.03 4.30 -0.87 3.68 3.84 0.15 -0.66 114.94 125.34 1n9s s ASN 54 Ca -0.05 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.82 1n9s s ASN 54 Cb -0.13 -1.19 0.01 0.00 -0.55 0.00 0.00 41.25 39.39 1n9s s ASN 54 CO 0.03 0.30 0.63 -0.62 -2.79 0.00 0.00 177.10 174.65 1n9s n GLU 55 N 2.63 -4.39 -2.09 0.43 1.02 -1.23 0.21 120.64 117.22 1n9s n GLU 55 Ca -0.18 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.07 1n9s n GLU 55 Cb 0.53 -4.62 -0.03 0.00 -0.02 0.00 0.00 31.44 27.30 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 -3.12 3.60 -0.10 0.62 0.00 -1.08 -4.47 121.76 117.22 1n9s s ALA 56 Ca 0.31 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1n9s s ALA 56 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1n9s s ALA 56 CO 0.39 -0.67 -0.21 -2.00 0.00 0.00 0.00 175.76 173.27 1n9s s GLU 57 N -0.01 3.01 -0.15 0.00 2.12 0.12 -1.05 118.70 122.74 1n9s s GLU 57 Ca 0.60 -0.82 -0.24 0.00 0.36 0.00 0.00 54.97 54.86 1n9s s GLU 57 Cb -0.40 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 1n9s s GLU 57 CO 0.39 0.25 0.78 -2.00 -0.54 0.00 0.00 175.26 174.15 1n9s s GLU 58 N 0.18 4.32 -0.08 4.30 2.12 -0.09 -2.19 118.70 127.26 1n9s s GLU 58 Ca -0.12 0.95 0.04 0.00 0.36 0.00 0.00 54.97 56.20 1n9s s GLU 58 Cb -0.16 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1n9s s GLU 58 CO 0.07 -0.23 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.27 1n9s s PHE 59 N 1.80 2.55 -0.17 5.30 0.40 -0.12 0.14 117.98 127.87 1n9s s PHE 59 Ca 0.37 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1n9s s PHE 59 Cb -0.17 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.73 1n9s s PHE 59 CO 0.14 -0.28 -0.03 0.08 0.70 0.00 0.00 175.22 175.84 1n9s s VAL 60 N 0.07 0.93 -1.58 -0.44 1.01 0.58 -0.68 120.40 120.30 1n9s s VAL 60 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1n9s s VAL 60 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1n9s s VAL 60 CO 0.06 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.20 1n9s n ALA 61 N 4.93 -0.39 -0.54 5.51 0.00 -0.72 -0.87 120.51 128.42 1n9s n ALA 61 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1n9s n ALA 61 Cb 0.47 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.98 1.17 3.66 0.00 0.00 -1.26 -5.02 105.19 102.76 1n9s n GLY 62 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.26 4.75 0.32 1.61 1.01 -0.05 -5.02 120.40 119.75 1n9s s VAL 63 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1n9s s VAL 63 Cb 0.00 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1n9s s VAL 63 CO 0.00 0.49 1.42 -0.55 0.00 0.00 0.00 175.10 176.47 1n9s s SER 64 N 0.09 6.58 -0.22 3.32 0.15 -1.26 -0.30 113.70 122.06 1n9s s SER 64 Ca 0.05 2.81 0.11 0.00 0.70 0.00 0.00 55.95 59.61 1n9s s SER 64 Cb -0.12 -2.65 0.43 0.00 -1.71 0.00 0.00 66.02 61.97 1n9s s SER 64 CO 0.01 -0.71 1.21 1.41 1.20 0.00 0.00 173.24 176.36 1n9s n HIS 65 N 1.27 0.59 -0.03 3.44 8.25 0.36 -4.86 115.22 124.24 1n9s n HIS 65 Ca 0.03 -1.62 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 1n9s n HIS 65 Cb 0.40 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.96 -3.70 3.29 -1.41 0.00 -1.25 -4.74 105.19 96.42 1n9s n GLY 66 Ca 0.24 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.76 2.58 0.03 2.61 2.01 -1.26 -0.91 115.64 119.94 1n9s s THR 67 Ca 0.00 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1n9s s THR 67 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1n9s s THR 67 CO 0.00 0.54 0.08 -0.76 -0.69 0.00 0.00 174.62 173.79 1n9s s LEU 68 N 0.46 3.86 0.00 4.42 1.43 -0.22 -4.98 118.68 123.66 1n9s s LEU 68 Ca -0.12 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1n9s s LEU 68 Cb -0.17 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1n9s s LEU 68 CO 0.05 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1n9s n GLY 69 N 0.89 -2.70 3.74 -3.19 0.00 -1.26 -3.08 105.19 99.58 1n9s n GLY 69 Ca -0.11 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 4.48 0.20 1.61 0.41 -1.26 -2.63 118.70 121.51 1n9s s GLU 70 Ca 0.00 1.03 0.10 0.00 -0.41 0.00 0.00 54.97 55.69 1n9s s GLU 70 Cb 0.00 -3.38 -0.04 0.00 -1.78 0.00 0.00 34.13 28.93 1n9s s GLU 70 CO 0.00 0.24 -0.20 0.96 -0.49 0.00 0.00 175.26 175.77 1n9s s ILE 71 N 0.11 2.11 -0.17 -1.63 -4.36 0.16 -4.97 121.20 112.45 1n9s s ILE 71 Ca 0.38 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1n9s s ILE 71 Cb -0.20 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1n9s s ILE 71 CO 0.22 -0.30 -0.16 -0.36 0.24 0.00 0.00 174.94 174.58 1n9s s PHE 72 N -2.12 2.80 0.02 1.37 0.40 -1.26 -1.38 117.98 117.80 1n9s s PHE 72 Ca 0.21 -1.28 0.02 0.00 -0.60 0.00 0.00 56.93 55.27 1n9s s PHE 72 Cb -0.06 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1n9s s PHE 72 CO 0.09 -0.63 0.01 0.42 0.70 0.00 0.00 175.22 175.82 1n9s s ILE 73 N 1.11 4.20 -0.10 0.64 1.01 0.45 -4.95 121.20 123.55 1n9s s ILE 73 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 1n9s s ILE 73 Cb -0.14 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1n9s s ILE 73 CO -0.06 0.32 0.38 -0.13 0.00 0.00 0.00 174.94 175.45 1n9s s ARG 74 N -1.74 4.17 0.13 2.79 1.81 -1.26 -1.91 118.95 122.95 1n9s s ARG 74 Ca 0.21 0.29 -0.33 0.00 -1.72 0.00 0.00 55.73 54.18 1n9s s ARG 74 Cb -0.12 -3.37 -0.11 0.00 -0.45 0.00 0.00 34.95 30.91 1n9s s ARG 74 CO 0.12 0.34 1.55 0.66 -0.68 0.00 0.00 175.30 177.30 1n9s h SER 75 N 6.14 -1.89 -0.41 0.23 4.64 -1.81 -2.73 113.55 117.72 1n9s h SER 75 Ca -0.44 0.25 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1n9s h SER 75 Cb 1.19 0.78 -0.08 0.00 -0.31 0.00 0.00 62.40 63.98 1n9s h SER 75 CO 0.71 -0.39 -0.10 -3.20 -0.87 0.00 0.00 176.83 172.99 1n9s n ASN 76 N -5.37 -0.14 0.00 4.97 5.15 -1.26 0.27 115.26 118.88 1n9s n ASN 76 Ca -0.03 0.70 0.11 0.00 -0.60 0.00 0.00 54.58 54.76 1n9s n ASN 76 Cb 0.34 -0.22 0.65 0.00 -0.53 0.00 0.00 39.78 40.02 1n9s n ASN 76 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1n9s n ASN 77 N -4.65 0.00 -4.69 1.20 3.02 -1.03 -4.82 115.26 104.29 1n9s n ASN 77 Ca 0.07 -1.26 -0.37 0.00 -0.03 0.00 0.00 54.58 52.98 1n9s n ASN 77 Cb 0.21 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.00 5.27 -0.03 2.41 1.01 0.77 -1.87 120.40 125.95 1n9s s VAL 78 Ca 0.33 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1n9s s VAL 78 Cb 0.15 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1n9s s VAL 78 CO 0.25 0.32 -0.01 0.25 0.00 0.00 0.00 175.10 175.91 1n9s h LEU 79 N 7.26 0.00 -8.27 3.92 5.85 0.01 -3.44 115.31 120.64 1n9s h LEU 79 Ca -0.38 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.19 1n9s h LEU 79 Cb 1.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1n9s h LEU 79 CO 0.72 0.18 0.02 -0.72 -0.34 0.00 0.00 178.44 178.30 1n9s s TYR 80 N -1.21 0.59 -0.02 1.25 -0.85 -1.11 -5.00 117.35 111.00 1n9s s TYR 80 Ca -0.01 -1.03 -0.00 0.00 -0.52 0.00 0.00 57.07 55.52 1n9s s TYR 80 Cb 0.00 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.72 1n9s s TYR 80 CO 0.01 -1.32 0.03 0.42 -1.52 0.00 0.00 175.55 173.17 1n9s s ILE 81 N -2.80 -0.05 0.20 -3.49 1.01 -1.26 -1.72 121.20 113.09 1n9s s ILE 81 Ca 0.23 0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1n9s s ILE 81 Cb -0.03 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 1n9s s ILE 81 CO 0.16 0.10 -0.14 0.00 0.00 0.00 0.00 174.94 175.06 1n9s s ARG 82 N 1.12 1.28 -0.31 2.79 1.70 -0.16 -4.94 118.95 120.43 1n9s s ARG 82 Ca -0.08 -1.57 -0.20 0.00 -0.47 0.00 0.00 55.73 53.41 1n9s s ARG 82 Cb -0.13 -1.03 -0.01 0.00 -0.57 0.00 0.00 34.95 33.21 1n9s s ARG 82 CO -0.03 0.16 0.61 -2.00 -1.08 0.00 0.00 175.30 172.96 1n9s s GLU 83 N -3.66 3.86 0.13 3.89 2.12 -1.26 0.39 118.70 124.17 1n9s s GLU 83 Ca 0.22 0.23 -0.31 0.00 0.36 0.00 0.00 54.97 55.46 1n9s s GLU 83 Cb -0.00 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 1n9s s GLU 83 CO 0.06 -0.58 1.43 -0.51 -0.54 0.00 0.00 175.26 175.12 1n9s s LEU 84 N 2.58 4.37 -0.10 2.70 1.43 -0.85 -4.85 118.68 123.96 1n9s s LEU 84 Ca 0.24 2.41 -0.33 0.00 -1.03 0.00 0.00 54.13 55.42 1n9s s LEU 84 Cb -0.15 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1n9s s LEU 84 CO 0.12 -0.69 1.94 -0.81 0.23 0.00 0.00 176.35 177.14 1n9s n PRO 85 N 3.86 2.18 0.00 1.29 -0.04 -1.26 -4.81 135.00 136.22 1n9s n PRO 85 Ca 0.12 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1n9s n PRO 85 Cb 0.41 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73