#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s s PRO 17 N 0.00 2.42 0.35 1.97 0.02 -1.26 -4.80 135.00 133.70 1n9s s PRO 17 Ca 0.00 1.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.37 1n9s s PRO 17 Cb 0.00 -4.52 -0.13 0.00 0.02 0.00 0.00 34.50 29.87 1n9s s PRO 17 CO 0.00 -2.92 0.77 0.34 -0.33 0.00 0.00 177.00 174.86 1n9s n PHE 18 N 14.62 0.36 -0.85 6.54 7.35 -1.26 -2.50 117.46 141.72 1n9s n PHE 18 Ca 0.35 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.71 1n9s n PHE 18 Cb 0.52 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 38.24 1n9s n PHE 18 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1n9s n LEU 19 N 1.23 0.22 0.27 -2.13 4.77 -1.26 -4.77 117.00 115.33 1n9s n LEU 19 Ca 0.11 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.28 1n9s n LEU 19 Cb 0.35 -0.34 0.94 0.00 -2.33 0.00 0.00 43.42 42.04 1n9s n LEU 19 CO 0.57 -0.11 1.05 0.50 -1.33 0.00 0.00 177.39 178.06 1n9s h LYS 20 N 2.27 0.00 0.00 3.23 3.64 -1.87 -2.37 116.57 121.47 1n9s h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n9s h LYS 20 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1n9s h LYS 20 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1n9s n GLY 21 N -0.92 -0.76 0.00 5.01 0.00 -1.26 -2.88 105.19 104.37 1n9s n GLY 21 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1n9s n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n9s n LEU 22 N -0.87 0.95 -4.69 0.99 4.77 -0.89 -4.98 117.00 112.28 1n9s n LEU 22 Ca 0.13 -0.95 -0.38 0.00 -0.03 0.00 0.00 56.01 54.78 1n9s n LEU 22 Cb 0.06 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1n9s n LEU 22 CO 0.10 0.24 0.80 0.52 -1.33 0.00 0.00 177.39 177.72 1n9s n VAL 23 N -0.00 3.89 -2.03 4.08 0.31 -1.14 -1.76 118.33 121.68 1n9s n VAL 23 Ca 0.00 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 1n9s n VAL 23 Cb 0.02 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.96 -4.51 -4.46 4.52 3.02 0.17 -4.96 115.26 108.09 1n9s n ASN 24 Ca 0.12 0.22 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 1n9s n ASN 24 Cb 0.46 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.61 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 -2.61 2.27 -0.29 3.10 3.76 -0.72 -4.88 115.29 115.93 1n9s s HIS 25 Ca 0.00 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.28 1n9s s HIS 25 Cb 0.00 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.69 1n9s s HIS 25 CO 0.00 0.66 1.10 0.50 -0.85 0.00 0.00 174.74 176.15 1n9s s ARG 26 N -3.33 4.10 0.34 1.40 3.52 -1.26 -0.78 118.95 122.94 1n9s s ARG 26 Ca 0.28 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 57.11 1n9s s ARG 26 Cb -0.06 -3.73 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 1n9s s ARG 26 CO 0.14 -0.86 0.02 0.14 -0.81 0.00 0.00 175.30 173.93 1n9s s VAL 27 N 3.62 1.53 -0.14 7.11 -7.23 -0.51 0.70 120.40 125.48 1n9s s VAL 27 Ca 0.47 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1n9s s VAL 27 Cb -0.14 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1n9s s VAL 27 CO 0.14 -0.05 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.93 1n9s s GLY 28 N -3.55 1.03 -0.32 2.32 0.00 0.14 -2.81 107.32 104.13 1n9s s GLY 28 Ca 0.35 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 44.15 1n9s s GLY 28 CO 0.16 0.64 0.22 0.14 0.00 0.00 0.00 173.10 174.25 1n9s s VAL 29 N 1.56 5.27 -0.24 1.40 1.01 0.78 -2.00 120.40 128.17 1n9s s VAL 29 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 1n9s s VAL 29 Cb -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1n9s s VAL 29 CO -0.10 0.09 0.14 -0.75 0.00 0.00 0.00 175.10 174.49 1n9s s LYS 30 N 1.73 4.00 0.69 2.72 2.47 -0.74 0.96 119.74 131.58 1n9s s LYS 30 Ca 0.06 -0.31 -0.07 0.00 -1.56 0.00 0.00 55.97 54.10 1n9s s LYS 30 Cb -0.17 -3.49 0.05 0.00 -1.46 0.00 0.00 37.83 32.76 1n9s s LYS 30 CO 0.11 0.03 1.00 -0.51 0.16 0.00 0.00 175.35 176.14 1n9s s LEU 31 N 1.13 2.86 0.06 5.43 1.43 -0.98 -0.18 118.68 128.43 1n9s s LEU 31 Ca 0.07 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.51 1n9s s LEU 31 Cb -0.14 -3.18 -0.17 0.00 0.03 0.00 0.00 46.19 42.73 1n9s s LEU 31 CO 0.05 -1.53 1.25 0.11 0.23 0.00 0.00 176.35 176.46 1n9s h LYS 32 N -0.56 0.60 -5.82 1.70 1.57 -0.84 -3.40 116.57 109.84 1n9s h LYS 32 Ca -0.45 -0.49 -0.64 0.00 -1.87 0.00 0.00 60.65 57.20 1n9s h LYS 32 Cb 1.31 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.66 1n9s h LYS 32 CO 0.60 1.11 -0.44 -0.59 -0.57 0.00 0.00 179.45 179.57 1n9s s PHE 33 N -3.70 3.58 0.00 -1.35 -0.12 -1.26 -4.91 117.98 110.22 1n9s s PHE 33 Ca -0.12 0.50 0.00 0.00 -0.05 0.00 0.00 56.93 57.26 1n9s s PHE 33 Cb 0.06 -1.93 0.00 0.00 -0.63 0.00 0.00 43.02 40.52 1n9s s PHE 33 CO 0.85 0.65 0.00 0.09 -0.05 0.00 0.00 175.22 176.76 1n9s n ASN 34 N 1.25 0.00 -2.71 1.98 3.02 -1.26 -4.23 115.26 113.31 1n9s n ASN 34 Ca -0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.34 1n9s n ASN 34 Cb 0.53 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.78 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 2.95 -0.68 -4.86 6.41 3.41 -1.26 -5.05 113.62 114.54 1n9s n SER 35 Ca 0.00 -2.66 -0.37 0.00 -0.26 0.00 0.00 58.87 55.59 1n9s n SER 35 Cb 0.00 0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.04 5.15 -0.01 6.66 2.01 -1.26 -0.97 115.64 126.18 1n9s s THR 36 Ca 0.24 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1n9s s THR 36 Cb 0.41 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1n9s s THR 36 CO -0.04 0.50 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.67 1n9s s GLU 37 N -1.34 0.15 -0.11 4.92 2.12 0.72 -2.31 118.70 122.85 1n9s s GLU 37 Ca 0.25 -0.02 -0.08 0.00 0.36 0.00 0.00 54.97 55.48 1n9s s GLU 37 Cb -0.15 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 1n9s s GLU 37 CO 0.13 -0.01 0.18 0.71 -0.54 0.00 0.00 175.26 175.73 1n9s s TYR 38 N 0.22 3.59 0.11 5.30 1.51 0.27 -0.48 117.35 127.87 1n9s s TYR 38 Ca -0.02 0.57 0.10 0.00 -1.01 0.00 0.00 57.07 56.71 1n9s s TYR 38 Cb -0.04 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1n9s s TYR 38 CO -0.01 0.67 -0.25 1.03 -1.11 0.00 0.00 175.55 175.89 1n9s s ARG 39 N -0.86 1.36 0.00 -0.62 0.52 -0.20 -0.16 118.95 118.99 1n9s s ARG 39 Ca 0.15 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1n9s s ARG 39 Cb -0.12 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1n9s s ARG 39 CO 0.05 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1n9s n GLY 40 N 1.11 -1.30 3.74 -3.53 0.00 -1.12 0.10 105.19 104.18 1n9s n GLY 40 Ca -0.18 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 5.40 -0.39 2.61 2.01 0.48 -1.42 115.64 121.32 1n9s s THR 41 Ca 0.00 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1n9s s THR 41 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1n9s s THR 41 CO 0.00 0.44 1.05 -0.22 -0.69 0.00 0.00 174.62 175.20 1n9s s LEU 42 N 0.28 3.86 -0.10 4.42 2.96 0.04 0.81 118.68 130.94 1n9s s LEU 42 Ca 0.10 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1n9s s LEU 42 Cb -0.11 -3.46 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 1n9s s LEU 42 CO -0.01 -1.00 0.02 0.58 -1.32 0.00 0.00 176.35 174.62 1n9s h VAL 43 N 5.93 0.00 -4.04 1.68 2.07 -1.23 0.49 116.25 121.15 1n9s h VAL 43 Ca -0.22 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1n9s h VAL 43 Cb 1.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 1n9s h VAL 43 CO 1.05 0.00 -0.37 -0.94 0.02 0.00 0.00 177.57 177.33 1n9s s SER 44 N -5.52 0.05 0.36 0.57 1.04 -1.20 -4.45 113.70 104.56 1n9s s SER 44 Ca -0.00 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 1n9s s SER 44 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1n9s s SER 44 CO 0.01 -0.94 0.63 0.28 0.98 0.00 0.00 173.24 174.20 1n9s s THR 45 N -4.04 0.00 0.13 2.02 -1.32 -1.26 -0.89 115.64 110.28 1n9s s THR 45 Ca 0.25 -1.31 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1n9s s THR 45 Cb 0.03 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1n9s s THR 45 CO 0.06 0.00 0.20 1.51 -2.21 0.00 0.00 174.62 174.18 1n9s s ASP 46 N -3.15 0.13 0.44 8.08 -4.77 -1.09 -4.98 116.67 111.33 1n9s s ASP 46 Ca 0.23 -0.87 0.14 0.00 -3.30 0.00 0.00 52.55 48.75 1n9s s ASP 46 Cb -0.03 0.37 0.74 0.00 -1.09 0.00 0.00 42.92 42.92 1n9s s ASP 46 CO 0.16 -0.80 1.33 0.78 0.70 0.00 0.00 175.17 177.34 1n9s h ASN 47 N 2.69 0.00 0.04 2.11 2.35 -1.89 -0.84 115.58 120.04 1n9s h ASN 47 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1n9s h ASN 47 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1n9s h ASN 47 CO 0.53 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 175.09 1n9s n TYR 48 N -2.25 0.00 -1.37 1.19 4.02 -1.26 -4.84 117.16 112.64 1n9s n TYR 48 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1n9s n TYR 48 Cb 0.47 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 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 -1.02 0.00 -3.26 -0.72 3.01 -0.32 -4.51 117.46 110.63 1n9s n PHE 49 Ca 0.23 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.31 1n9s n PHE 49 Cb 0.12 -2.35 -0.06 0.00 -0.01 0.00 0.00 39.48 37.17 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 -2.85 7.01 0.00 4.37 0.01 -1.25 -3.67 114.94 118.57 1n9s s ASN 50 Ca 0.00 1.25 -0.20 0.00 -0.71 0.00 0.00 52.86 53.20 1n9s s ASN 50 Cb 0.00 -2.35 0.04 0.00 0.41 0.00 0.00 41.25 39.35 1n9s s ASN 50 CO 0.00 0.19 0.43 -1.48 -1.51 0.00 0.00 177.10 174.74 1n9s s LEU 51 N -1.46 0.34 -0.39 0.60 0.05 -1.17 -2.69 118.68 113.96 1n9s s LEU 51 Ca 0.33 0.19 -0.14 0.00 0.05 0.00 0.00 54.13 54.57 1n9s s LEU 51 Cb -0.18 1.74 0.02 0.00 -2.05 0.00 0.00 46.19 45.71 1n9s s LEU 51 CO 0.20 -0.57 0.26 -1.58 -0.55 0.00 0.00 176.35 174.11 1n9s s GLN 52 N -1.75 3.00 -0.08 1.48 0.74 -0.07 -1.27 119.66 121.72 1n9s s GLN 52 Ca -0.10 -0.98 -0.05 0.00 0.05 0.00 0.00 55.36 54.28 1n9s s GLN 52 Cb -0.02 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 1n9s s GLN 52 CO 0.03 -0.69 0.14 -1.17 -0.55 0.00 0.00 175.29 173.04 1n9s s LEU 53 N 1.65 4.28 0.05 3.68 2.96 0.35 -0.67 118.68 130.98 1n9s s LEU 53 Ca 0.04 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1n9s s LEU 53 Cb -0.19 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1n9s s LEU 53 CO 0.09 0.36 -0.20 0.21 -1.32 0.00 0.00 176.35 175.49 1n9s s ASN 54 N -1.32 3.68 -1.31 3.68 3.84 0.24 -1.76 114.94 121.98 1n9s s ASN 54 Ca 0.19 -0.48 -0.03 0.00 0.21 0.00 0.00 52.86 52.75 1n9s s ASN 54 Cb -0.12 -0.53 0.01 0.00 -0.55 0.00 0.00 41.25 40.06 1n9s s ASN 54 CO 0.09 0.25 0.91 -0.62 -2.79 0.00 0.00 177.10 174.93 1n9s n GLU 55 N 1.50 -6.00 -1.92 0.43 1.02 -1.18 0.18 120.64 114.68 1n9s n GLU 55 Ca -0.16 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.29 1n9s n GLU 55 Cb 0.52 -5.55 -0.01 0.00 -0.02 0.00 0.00 31.44 26.39 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 -3.47 3.49 -0.04 0.62 0.00 -0.87 -4.35 121.76 117.15 1n9s s ALA 56 Ca 0.18 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1n9s s ALA 56 Cb -0.09 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1n9s s ALA 56 CO 0.78 -0.92 -0.02 -2.00 0.00 0.00 0.00 175.76 173.59 1n9s s GLU 57 N -2.05 0.60 0.06 0.00 2.12 0.28 -1.75 118.70 117.96 1n9s s GLU 57 Ca 0.53 0.00 -0.22 0.00 0.36 0.00 0.00 54.97 55.63 1n9s s GLU 57 Cb -0.43 -0.75 -0.06 0.00 0.26 0.00 0.00 34.13 33.15 1n9s s GLU 57 CO 0.58 -0.15 0.67 -2.00 -0.54 0.00 0.00 175.26 173.83 1n9s s GLU 58 N 1.17 4.39 -0.08 4.30 2.12 -0.25 -1.03 118.70 129.32 1n9s s GLU 58 Ca -0.07 0.91 0.01 0.00 0.36 0.00 0.00 54.97 56.18 1n9s s GLU 58 Cb -0.14 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1n9s s GLU 58 CO -0.02 0.44 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.99 1n9s s PHE 59 N -0.53 1.34 -0.29 5.30 0.40 0.37 -0.89 117.98 123.69 1n9s s PHE 59 Ca 0.34 -0.55 -0.05 0.00 -0.60 0.00 0.00 56.93 56.06 1n9s s PHE 59 Cb -0.20 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1n9s s PHE 59 CO 0.21 -0.35 0.05 0.08 0.70 0.00 0.00 175.22 175.91 1n9s s VAL 60 N 1.09 3.69 -1.50 -0.44 1.01 -0.16 -0.20 120.40 123.88 1n9s s VAL 60 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1n9s s VAL 60 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1n9s s VAL 60 CO -0.01 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.18 1n9s n ALA 61 N 4.81 -0.56 -1.19 5.51 0.00 -0.15 -0.67 120.51 128.26 1n9s n ALA 61 Ca -0.15 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1n9s n ALA 61 Cb 0.47 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.72 0.54 3.13 0.00 0.00 -1.26 -5.05 105.19 101.83 1n9s n GLY 62 Ca -0.18 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 1.85 0.14 1.61 1.01 0.16 -5.07 120.40 118.09 1n9s s VAL 63 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 1n9s s VAL 63 Cb 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 1n9s s VAL 63 CO 0.00 0.51 1.63 -0.55 0.00 0.00 0.00 175.10 176.68 1n9s s SER 64 N 0.84 6.56 -0.31 3.32 0.15 -1.26 -0.99 113.70 122.00 1n9s s SER 64 Ca -0.08 2.62 0.09 0.00 0.70 0.00 0.00 55.95 59.28 1n9s s SER 64 Cb -0.15 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 62.11 1n9s s SER 64 CO -0.01 -0.87 1.54 1.41 1.20 0.00 0.00 173.24 176.52 1n9s n HIS 65 N 4.52 1.43 0.00 3.44 8.25 -0.07 -4.91 115.22 127.87 1n9s n HIS 65 Ca 0.15 -1.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.02 1n9s n HIS 65 Cb 0.39 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.07 -1.04 2.95 -1.41 0.00 -1.25 -4.81 105.19 98.56 1n9s n GLY 66 Ca 0.37 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.99 0.01 2.61 2.01 -1.26 -1.09 115.64 118.90 1n9s s THR 67 Ca 0.00 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1n9s s THR 67 Cb 0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1n9s s THR 67 CO 0.00 0.34 0.18 -0.76 -0.69 0.00 0.00 174.62 173.70 1n9s s LEU 68 N 1.21 4.34 0.00 4.42 1.43 -0.72 -4.98 118.68 124.37 1n9s s LEU 68 Ca -0.05 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1n9s s LEU 68 Cb -0.14 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1n9s s LEU 68 CO -0.02 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1n9s n GLY 69 N 0.78 -0.42 3.71 -3.19 0.00 -1.26 -2.05 105.19 102.76 1n9s n GLY 69 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 4.29 0.14 1.61 0.41 -1.26 -2.28 118.70 121.61 1n9s s GLU 70 Ca 0.00 0.31 0.09 0.00 -0.41 0.00 0.00 54.97 54.96 1n9s s GLU 70 Cb 0.00 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1n9s s GLU 70 CO 0.00 0.14 -0.21 0.42 -0.49 0.00 0.00 175.26 175.13 1n9s s ILE 71 N 0.71 1.90 -0.25 -1.63 1.01 -0.72 -5.01 121.20 117.20 1n9s s ILE 71 Ca 0.22 -1.79 0.01 0.00 0.00 0.00 0.00 60.65 59.09 1n9s s ILE 71 Cb -0.14 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 40.59 1n9s s ILE 71 CO 0.08 -0.16 -0.03 -0.36 0.00 0.00 0.00 174.94 174.47 1n9s s PHE 72 N -1.60 2.35 0.18 3.97 0.40 -1.26 -0.50 117.98 121.52 1n9s s PHE 72 Ca 0.13 -1.79 -0.12 0.00 -0.60 0.00 0.00 56.93 54.55 1n9s s PHE 72 Cb -0.08 -1.66 -0.07 0.00 0.51 0.00 0.00 43.02 41.73 1n9s s PHE 72 CO 0.06 -0.79 0.54 0.42 0.70 0.00 0.00 175.22 176.16 1n9s s ILE 73 N 1.41 4.90 -0.14 0.64 1.01 -0.40 -4.97 121.20 123.64 1n9s s ILE 73 Ca -0.03 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 1n9s s ILE 73 Cb -0.19 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1n9s s ILE 73 CO -0.08 0.11 0.14 -0.13 0.00 0.00 0.00 174.94 174.98 1n9s s ARG 74 N -2.32 3.65 0.05 2.79 1.81 -1.26 -3.06 118.95 120.60 1n9s s ARG 74 Ca 0.42 -0.16 -0.10 0.00 -1.72 0.00 0.00 55.73 54.17 1n9s s ARG 74 Cb -0.13 -3.25 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1n9s s ARG 74 CO 0.20 0.64 1.17 1.03 -0.68 0.00 0.00 175.30 177.66 1n9s h SER 75 N 5.46 -0.67 -0.34 0.23 0.87 -1.79 -2.32 113.55 115.00 1n9s h SER 75 Ca -0.51 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 60.25 1n9s h SER 75 Cb 1.21 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 63.40 1n9s h SER 75 CO 0.63 -0.08 0.02 0.59 -0.53 0.00 0.00 176.83 177.46 1n9s n ASN 76 N -3.68 -0.02 0.00 6.23 5.03 -1.26 0.15 115.26 121.71 1n9s n ASN 76 Ca 0.00 0.57 0.10 0.00 0.87 0.00 0.00 54.58 56.12 1n9s n ASN 76 Cb 0.09 -0.21 0.51 0.00 -1.02 0.00 0.00 39.78 39.15 1n9s n ASN 76 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n9s n ASN 77 N -4.23 0.00 -4.76 6.41 3.02 -0.87 -4.80 115.26 110.03 1n9s n ASN 77 Ca 0.08 -0.10 -0.37 0.00 -0.03 0.00 0.00 54.58 54.17 1n9s n ASN 77 Cb 0.28 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.48 5.20 -0.13 2.41 1.01 0.41 -0.15 120.40 126.65 1n9s s VAL 78 Ca 0.21 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 1n9s s VAL 78 Cb 0.13 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1n9s s VAL 78 CO 0.29 0.42 -0.15 0.25 0.00 0.00 0.00 175.10 175.91 1n9s h LEU 79 N 6.13 0.00 -8.10 3.92 5.85 -0.78 -3.44 115.31 118.90 1n9s h LEU 79 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1n9s h LEU 79 Cb 1.19 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1n9s h LEU 79 CO 0.71 0.71 0.11 -0.72 -0.34 0.00 0.00 178.44 178.92 1n9s s TYR 80 N -2.14 0.08 -0.05 1.25 -0.85 -1.15 -5.03 117.35 109.46 1n9s s TYR 80 Ca -0.13 -0.53 0.02 0.00 -0.52 0.00 0.00 57.07 55.91 1n9s s TYR 80 Cb 0.02 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.91 1n9s s TYR 80 CO 0.19 -1.21 -0.10 0.42 -1.52 0.00 0.00 175.55 173.33 1n9s s ILE 81 N -3.66 0.93 0.34 -3.49 1.01 -1.26 -1.79 121.20 113.28 1n9s s ILE 81 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1n9s s ILE 81 Cb -0.04 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.50 1n9s s ILE 81 CO 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 174.94 175.29 1n9s s ARG 82 N 0.67 1.77 -0.22 2.79 1.70 -0.85 -4.95 118.95 119.87 1n9s s ARG 82 Ca -0.13 -1.94 -0.13 0.00 -0.47 0.00 0.00 55.73 53.06 1n9s s ARG 82 Cb -0.15 -1.46 -0.04 0.00 -0.57 0.00 0.00 34.95 32.72 1n9s s ARG 82 CO 0.02 0.03 0.28 -2.00 -1.08 0.00 0.00 175.30 172.55 1n9s s GLU 83 N -3.70 4.11 0.34 3.89 2.12 -1.26 0.25 118.70 124.45 1n9s s GLU 83 Ca 0.33 -0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.36 1n9s s GLU 83 Cb 0.05 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 1n9s s GLU 83 CO 0.16 0.00 0.98 -0.51 -0.54 0.00 0.00 175.26 175.35 1n9s s LEU 84 N 1.22 4.30 0.00 2.70 1.43 0.22 -4.85 118.68 123.70 1n9s s LEU 84 Ca 0.13 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1n9s s LEU 84 Cb -0.14 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1n9s s LEU 84 CO 0.06 -0.18 0.00 -0.81 0.23 0.00 0.00 176.35 175.66 1n9s n PRO 85 N 0.44 0.00 0.00 1.29 -0.04 -1.26 -4.73 135.00 130.70 1n9s n PRO 85 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1n9s n PRO 85 Cb 0.50 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1n9s n PRO 85 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55