#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9s s LYS 16 N 0.00 1.14 0.00 -0.52 -0.14 -1.26 -5.07 119.74 113.89 1n9s s LYS 16 Ca 0.00 -0.81 -0.36 0.00 -1.36 0.00 0.00 55.97 53.44 1n9s s LYS 16 Cb 0.00 -1.19 -0.14 0.00 -1.68 0.00 0.00 37.83 34.82 1n9s s LYS 16 CO 0.00 0.30 1.64 -2.30 -0.76 0.00 0.00 175.35 174.23 1n9s n PRO 17 N 1.96 1.78 0.04 -1.68 -0.02 -1.26 -4.95 135.00 130.87 1n9s n PRO 17 Ca -0.17 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1n9s n PRO 17 Cb 0.54 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1n9s n PRO 17 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1n9s h PHE 18 N 6.76 0.91 -0.01 6.00 3.57 -1.93 -3.35 116.94 128.90 1n9s h PHE 18 Ca -0.47 -0.51 -0.05 0.00 3.53 0.00 0.00 57.97 60.47 1n9s h PHE 18 Cb 1.29 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1n9s h PHE 18 CO 0.71 1.35 -0.18 -0.07 -2.23 0.00 0.00 178.31 177.89 1n9s h LEU 19 N 0.22 0.17 0.00 0.59 3.38 -1.92 -3.40 115.31 114.35 1n9s h LEU 19 Ca -0.12 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1n9s h LEU 19 Cb 1.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1n9s h LEU 19 CO 0.19 0.90 0.00 1.17 0.09 0.00 0.00 178.44 180.79 1n9s n LYS 20 N -4.57 0.00 0.00 1.13 4.81 -1.26 -1.56 118.16 116.72 1n9s n LYS 20 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1n9s n LYS 20 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1n9s n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n9s n GLY 21 N 0.00 -0.42 0.62 3.14 0.00 -1.26 -1.54 105.19 105.73 1n9s n GLY 21 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.42 3.36 -4.77 0.99 4.77 -0.60 -4.96 117.00 114.36 1n9s n LEU 22 Ca 0.00 -2.99 -0.38 0.00 -0.03 0.00 0.00 56.01 52.61 1n9s n LEU 22 Cb 0.01 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1n9s n LEU 22 CO 0.00 0.68 0.78 -0.69 -1.33 0.00 0.00 177.39 176.84 1n9s s VAL 23 N -2.76 3.49 0.00 4.08 1.01 -0.59 -2.84 120.40 122.80 1n9s s VAL 23 Ca 0.38 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1n9s s VAL 23 Cb 0.31 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1n9s s VAL 23 CO 0.07 0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.90 1n9s n ASN 24 N 0.37 -2.69 -4.92 3.32 3.02 0.36 -4.95 115.26 109.77 1n9s n ASN 24 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.31 1n9s n ASN 24 Cb 0.47 -2.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.17 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 -1.39 3.52 -0.03 3.10 3.76 -1.13 -4.79 115.29 118.33 1n9s s HIS 25 Ca 0.00 0.64 -0.24 0.00 -0.15 0.00 0.00 55.06 55.31 1n9s s HIS 25 Cb 0.00 -2.14 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 1n9s s HIS 25 CO 0.00 -0.04 0.74 0.50 -0.85 0.00 0.00 174.74 175.09 1n9s s ARG 26 N -4.29 4.46 0.24 1.40 3.52 -1.26 -0.54 118.95 122.47 1n9s s ARG 26 Ca 0.45 0.98 0.01 0.00 -0.13 0.00 0.00 55.73 57.03 1n9s s ARG 26 Cb -0.10 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1n9s s ARG 26 CO 0.38 0.12 0.13 0.14 -0.81 0.00 0.00 175.30 175.26 1n9s s VAL 27 N 0.55 0.22 -0.18 7.11 -7.23 0.23 -1.99 120.40 119.12 1n9s s VAL 27 Ca 0.39 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1n9s s VAL 27 Cb -0.19 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1n9s s VAL 27 CO 0.20 0.00 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.99 1n9s s GLY 28 N -3.25 1.43 -0.28 2.32 0.00 0.47 -1.86 107.32 106.16 1n9s s GLY 28 Ca 0.38 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 1n9s s GLY 28 CO 0.14 0.22 -0.01 0.14 0.00 0.00 0.00 173.10 173.60 1n9s s VAL 29 N 1.18 3.16 -0.17 1.40 1.01 -0.08 0.11 120.40 127.01 1n9s s VAL 29 Ca 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 1n9s s VAL 29 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1n9s s VAL 29 CO -0.08 0.05 0.00 -0.75 0.00 0.00 0.00 175.10 174.32 1n9s s LYS 30 N 1.34 3.79 0.56 2.72 2.47 -0.48 -0.24 119.74 129.90 1n9s s LYS 30 Ca -0.01 -0.45 -0.05 0.00 -1.56 0.00 0.00 55.97 53.89 1n9s s LYS 30 Cb -0.18 -3.03 -0.00 0.00 -1.46 0.00 0.00 37.83 33.16 1n9s s LYS 30 CO -0.02 0.25 0.87 -0.51 0.16 0.00 0.00 175.35 176.10 1n9s s LEU 31 N 0.37 3.34 0.07 5.43 1.43 -0.75 0.58 118.68 129.15 1n9s s LEU 31 Ca -0.01 0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 53.63 1n9s s LEU 31 Cb -0.13 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.36 1n9s s LEU 31 CO 0.02 -0.93 1.50 0.11 0.23 0.00 0.00 176.35 177.28 1n9s h LYS 32 N -0.06 0.31 -6.11 1.70 1.57 -1.68 -3.41 116.57 108.89 1n9s h LYS 32 Ca -0.46 -0.10 -0.58 0.00 -1.87 0.00 0.00 60.65 57.64 1n9s h LYS 32 Cb 1.24 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1n9s h LYS 32 CO 0.61 0.52 -0.37 -0.59 -0.57 0.00 0.00 179.45 179.05 1n9s s PHE 33 N -5.00 3.49 0.00 -1.35 -0.12 -1.26 -4.95 117.98 108.79 1n9s s PHE 33 Ca -0.14 0.43 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1n9s s PHE 33 Cb 0.06 -1.91 0.00 0.00 -0.63 0.00 0.00 43.02 40.54 1n9s s PHE 33 CO 0.72 0.47 0.00 0.09 -0.05 0.00 0.00 175.22 176.45 1n9s n ASN 34 N 0.00 -1.05 -2.59 1.98 3.02 -1.26 -4.21 115.26 111.15 1n9s n ASN 34 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1n9s n ASN 34 Cb 0.52 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.70 2.62 -4.84 6.41 3.41 -1.26 -4.97 113.62 113.30 1n9s n SER 35 Ca 0.00 -2.95 -0.37 0.00 -0.26 0.00 0.00 58.87 55.29 1n9s n SER 35 Cb 0.00 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 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 -4.00 5.26 -0.02 6.66 2.01 -1.26 -1.93 115.64 122.35 1n9s s THR 36 Ca 0.35 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1n9s s THR 36 Cb 0.42 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1n9s s THR 36 CO -0.03 0.57 0.02 -0.70 -0.69 0.00 0.00 174.62 173.78 1n9s s GLU 37 N -0.83 0.08 -0.18 4.92 2.12 -0.30 -1.82 118.70 122.70 1n9s s GLU 37 Ca 0.19 0.15 -0.10 0.00 0.36 0.00 0.00 54.97 55.57 1n9s s GLU 37 Cb -0.14 -0.33 -0.05 0.00 0.26 0.00 0.00 34.13 33.86 1n9s s GLU 37 CO 0.08 -0.16 0.16 0.71 -0.54 0.00 0.00 175.26 175.51 1n9s s TYR 38 N 1.06 3.45 -0.04 5.30 1.51 0.67 0.36 117.35 129.66 1n9s s TYR 38 Ca -0.09 0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.43 1n9s s TYR 38 Cb -0.13 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1n9s s TYR 38 CO -0.03 0.36 -0.20 1.03 -1.11 0.00 0.00 175.55 175.60 1n9s s ARG 39 N 0.14 2.42 -0.01 -0.62 0.52 -0.58 -0.91 118.95 119.91 1n9s s ARG 39 Ca 0.10 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 1n9s s ARG 39 Cb -0.11 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.14 1n9s s ARG 39 CO -0.00 0.54 0.35 0.41 0.02 0.00 0.00 175.30 176.62 1n9s n GLY 40 N 2.52 0.46 3.81 -3.53 0.00 -0.78 -0.02 105.19 107.66 1n9s n GLY 40 Ca -0.17 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.08 4.74 -0.59 2.61 2.01 -0.75 0.75 115.64 122.33 1n9s s THR 41 Ca 0.08 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 1n9s s THR 41 Cb -0.00 -3.88 0.08 0.00 0.01 0.00 0.00 72.50 68.71 1n9s s THR 41 CO -0.00 0.51 0.77 -0.22 -0.69 0.00 0.00 174.62 174.98 1n9s s LEU 42 N -1.23 5.00 -0.06 4.42 2.96 0.30 -0.55 118.68 129.52 1n9s s LEU 42 Ca 0.30 -1.17 -0.22 0.00 -0.22 0.00 0.00 54.13 52.82 1n9s s LEU 42 Cb -0.19 -2.38 -0.18 0.00 0.50 0.00 0.00 46.19 43.94 1n9s s LEU 42 CO 0.19 -1.16 0.89 0.58 -1.32 0.00 0.00 176.35 175.53 1n9s h VAL 43 N 5.93 1.07 -4.04 1.68 2.07 -1.59 1.04 116.25 122.40 1n9s h VAL 43 Ca -0.29 -1.33 -0.13 0.00 0.82 0.00 0.00 66.70 65.77 1n9s h VAL 43 Cb 1.08 1.82 -0.12 0.00 -1.52 0.00 0.00 31.29 32.56 1n9s h VAL 43 CO 1.10 0.29 -0.34 -0.94 0.02 0.00 0.00 177.57 177.69 1n9s s SER 44 N -5.64 0.03 0.00 0.57 1.04 -1.22 -4.60 113.70 103.88 1n9s s SER 44 Ca -0.14 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1n9s s SER 44 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1n9s s SER 44 CO 0.53 -0.98 0.00 0.41 0.98 0.00 0.00 173.24 174.17 1n9s n THR 45 N -0.31 0.00 -3.98 2.02 -1.04 -1.26 -1.57 114.28 108.14 1n9s n THR 45 Ca -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.02 1n9s n THR 45 Cb 0.64 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 1n9s n THR 45 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1n9s n ASP 46 N -0.22 -0.55 0.18 8.00 5.75 -1.24 -4.97 116.55 123.49 1n9s n ASP 46 Ca 0.00 -1.06 0.14 0.00 -0.01 0.00 0.00 54.79 53.86 1n9s n ASP 46 Cb 0.00 0.84 0.55 0.00 -1.03 0.00 0.00 41.12 41.48 1n9s n ASP 46 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1n9s h ASN 47 N 1.01 0.00 -0.33 -1.12 2.35 -1.95 -2.92 115.58 112.62 1n9s h ASN 47 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1n9s h ASN 47 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1n9s h ASN 47 CO 0.15 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.71 1n9s n TYR 48 N -2.52 0.45 -1.37 1.19 4.02 -1.26 -4.87 117.16 112.80 1n9s n TYR 48 Ca 0.02 -0.22 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1n9s n TYR 48 Cb 0.26 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.45 -0.03 -3.89 -0.72 3.01 -1.10 -4.22 117.46 110.96 1n9s n PHE 49 Ca 0.11 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.22 1n9s n PHE 49 Cb 0.28 -2.09 -0.08 0.00 -0.01 0.00 0.00 39.48 37.58 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 -2.87 6.04 0.02 4.37 0.01 -1.26 -3.43 114.94 117.82 1n9s s ASN 50 Ca 0.00 0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 1n9s s ASN 50 Cb 0.00 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 1n9s s ASN 50 CO 0.00 0.26 -0.06 -1.48 -1.51 0.00 0.00 177.10 174.31 1n9s s LEU 51 N -0.13 2.15 -0.20 0.60 0.05 -0.63 -3.66 118.68 116.86 1n9s s LEU 51 Ca 0.09 -0.34 -0.11 0.00 0.05 0.00 0.00 54.13 53.83 1n9s s LEU 51 Cb -0.12 -0.15 -0.05 0.00 -2.05 0.00 0.00 46.19 43.82 1n9s s LEU 51 CO 0.01 -0.11 0.16 -1.58 -0.55 0.00 0.00 176.35 174.28 1n9s s GLN 52 N -0.93 4.19 -0.06 1.48 0.74 -0.61 -0.97 119.66 123.51 1n9s s GLN 52 Ca -0.06 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.22 1n9s s GLN 52 Cb -0.06 -3.43 -0.00 0.00 1.10 0.00 0.00 33.01 30.61 1n9s s GLN 52 CO -0.00 0.27 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.66 1n9s s LEU 53 N 0.45 1.91 0.09 3.68 2.96 -0.15 -1.51 118.68 126.11 1n9s s LEU 53 Ca 0.09 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1n9s s LEU 53 Cb -0.12 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1n9s s LEU 53 CO -0.01 0.14 0.20 0.21 -1.32 0.00 0.00 176.35 175.57 1n9s s ASN 54 N 0.16 6.14 -1.47 3.68 3.84 0.29 0.05 114.94 127.64 1n9s s ASN 54 Ca -0.07 0.17 -0.00 0.00 0.21 0.00 0.00 52.86 53.16 1n9s s ASN 54 Cb -0.13 -1.82 0.00 0.00 -0.55 0.00 0.00 41.25 38.74 1n9s s ASN 54 CO 0.03 0.14 0.23 -0.62 -2.79 0.00 0.00 177.10 174.09 1n9s n GLU 55 N 0.09 -2.22 -2.50 0.43 1.02 -1.24 -1.81 120.64 114.41 1n9s n GLU 55 Ca -0.06 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.91 1n9s n GLU 55 Cb 0.52 -4.09 -0.02 0.00 -0.02 0.00 0.00 31.44 27.82 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 -4.15 3.65 -0.18 0.62 0.00 -1.05 -4.39 121.76 116.26 1n9s s ALA 56 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1n9s s ALA 56 Cb -0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1n9s s ALA 56 CO 0.94 -1.09 -0.06 -2.00 0.00 0.00 0.00 175.76 173.55 1n9s s GLU 57 N 3.28 3.48 0.06 0.00 2.12 0.97 0.20 118.70 128.81 1n9s s GLU 57 Ca 0.51 -0.60 -0.28 0.00 0.36 0.00 0.00 54.97 54.96 1n9s s GLU 57 Cb -0.20 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1n9s s GLU 57 CO 0.13 0.04 0.89 -2.00 -0.54 0.00 0.00 175.26 173.78 1n9s s GLU 58 N 0.86 4.60 -0.12 4.30 2.12 -0.48 -1.52 118.70 128.46 1n9s s GLU 58 Ca -0.01 1.30 0.02 0.00 0.36 0.00 0.00 54.97 56.63 1n9s s GLU 58 Cb -0.15 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.87 1n9s s GLU 58 CO 0.01 0.18 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.69 1n9s s PHE 59 N 0.21 2.06 -0.18 5.30 0.40 0.16 -1.04 117.98 124.89 1n9s s PHE 59 Ca 0.45 -1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 1n9s s PHE 59 Cb -0.22 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1n9s s PHE 59 CO 0.27 -0.51 -0.09 0.08 0.70 0.00 0.00 175.22 175.66 1n9s s VAL 60 N 1.04 3.18 -1.55 -0.44 1.01 0.39 -1.15 120.40 122.88 1n9s s VAL 60 Ca -0.05 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1n9s s VAL 60 Cb -0.15 -2.39 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1n9s s VAL 60 CO -0.03 0.48 0.88 0.00 0.00 0.00 0.00 175.10 176.43 1n9s n ALA 61 N 4.20 -1.24 -1.15 5.51 0.00 -0.81 0.09 120.51 127.11 1n9s n ALA 61 Ca -0.18 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1n9s n ALA 61 Cb 0.52 -4.09 -0.02 0.00 0.00 0.00 0.00 19.45 15.85 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 -1.56 0.72 3.33 0.00 0.00 -1.26 -5.00 105.19 101.42 1n9s n GLY 62 Ca 0.04 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.96 2.71 0.10 1.61 1.01 0.11 -5.09 120.40 118.89 1n9s s VAL 63 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 1n9s s VAL 63 Cb 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 1n9s s VAL 63 CO 0.00 0.54 1.27 -0.55 0.00 0.00 0.00 175.10 176.37 1n9s s SER 64 N 0.21 6.98 -0.25 3.32 0.15 -1.26 -0.46 113.70 122.39 1n9s s SER 64 Ca -0.11 2.17 0.13 0.00 0.70 0.00 0.00 55.95 58.85 1n9s s SER 64 Cb -0.16 -2.59 0.63 0.00 -1.71 0.00 0.00 66.02 62.19 1n9s s SER 64 CO 0.06 -0.53 1.59 1.41 1.20 0.00 0.00 173.24 176.97 1n9s n HIS 65 N 3.72 1.56 0.00 3.44 8.25 -0.20 -4.93 115.22 127.07 1n9s n HIS 65 Ca 0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 1n9s n HIS 65 Cb 0.44 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.39 2.00 3.83 -1.41 0.00 -1.26 -4.87 105.19 103.10 1n9s n GLY 66 Ca 0.30 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.46 4.88 0.31 2.61 2.01 -1.26 -1.38 115.64 120.35 1n9s s THR 67 Ca 0.00 0.94 0.08 0.00 0.31 0.00 0.00 61.69 63.02 1n9s s THR 67 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1n9s s THR 67 CO 0.00 0.46 0.17 -0.76 -0.69 0.00 0.00 174.62 173.81 1n9s s LEU 68 N -1.38 3.45 0.00 4.42 1.43 0.54 -4.91 118.68 122.23 1n9s s LEU 68 Ca 0.30 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1n9s s LEU 68 Cb -0.17 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1n9s s LEU 68 CO 0.17 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1n9s n GLY 69 N -1.18 0.63 3.75 -3.19 0.00 -1.26 -3.02 105.19 100.91 1n9s n GLY 69 Ca -0.04 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.70 0.10 1.61 0.41 -1.26 -2.54 118.70 121.72 1n9s s GLU 70 Ca 0.00 1.69 0.06 0.00 -0.41 0.00 0.00 54.97 56.31 1n9s s GLU 70 Cb 0.00 -3.23 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 1n9s s GLU 70 CO 0.00 0.29 -0.14 0.96 -0.49 0.00 0.00 175.26 175.88 1n9s s ILE 71 N -1.04 1.24 -0.21 -1.63 -4.36 0.11 -4.97 121.20 110.34 1n9s s ILE 71 Ca 0.44 -1.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1n9s s ILE 71 Cb -0.30 -1.33 0.04 0.00 1.25 0.00 0.00 42.46 42.12 1n9s s ILE 71 CO 0.37 -0.32 -0.14 -0.36 0.24 0.00 0.00 174.94 174.73 1n9s s PHE 72 N -1.73 2.84 -0.12 1.37 0.40 -1.26 -0.97 117.98 118.50 1n9s s PHE 72 Ca 0.04 -1.86 -0.02 0.00 -0.60 0.00 0.00 56.93 54.49 1n9s s PHE 72 Cb -0.07 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1n9s s PHE 72 CO 0.03 -0.81 -0.05 0.42 0.70 0.00 0.00 175.22 175.50 1n9s s ILE 73 N 1.26 3.79 -0.14 0.64 1.01 -0.14 -4.98 121.20 122.63 1n9s s ILE 73 Ca -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1n9s s ILE 73 Cb -0.16 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1n9s s ILE 73 CO -0.09 0.53 0.32 -0.13 0.00 0.00 0.00 174.94 175.57 1n9s s ARG 74 N -0.04 4.22 0.01 2.79 1.81 -1.26 -1.61 118.95 124.88 1n9s s ARG 74 Ca 0.01 0.16 -0.02 0.00 -1.72 0.00 0.00 55.73 54.16 1n9s s ARG 74 Cb -0.13 -3.41 -0.00 0.00 -0.45 0.00 0.00 34.95 30.96 1n9s s ARG 74 CO 0.03 0.27 0.60 0.43 -0.68 0.00 0.00 175.30 175.95 1n9s n SER 75 N 3.43 -0.06 -0.66 0.23 7.64 -1.22 -1.04 113.62 121.94 1n9s n SER 75 Ca -0.12 0.62 0.51 0.00 1.01 0.00 0.00 58.87 60.89 1n9s n SER 75 Cb 0.52 -0.27 0.80 0.00 -1.01 0.00 0.00 64.21 64.24 1n9s n SER 75 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1n9s h ASN 76 N 0.00 0.04 -0.05 6.43 -0.26 -1.89 0.48 115.58 120.33 1n9s h ASN 76 Ca 0.01 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1n9s h ASN 76 Cb 0.02 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1n9s h ASN 76 CO -0.05 -0.06 0.00 0.59 -1.06 0.00 0.00 177.43 176.86 1n9s n ASN 77 N -4.11 0.99 -4.69 5.81 3.02 -0.21 -4.86 115.26 111.21 1n9s n ASN 77 Ca 0.44 -1.45 -0.35 0.00 -0.03 0.00 0.00 54.58 53.19 1n9s n ASN 77 Cb 1.92 -0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 40.97 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 -1.94 5.06 -0.14 2.41 1.01 0.17 -1.94 120.40 125.03 1n9s s VAL 78 Ca 0.36 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1n9s s VAL 78 Cb 0.19 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1n9s s VAL 78 CO 0.30 0.47 -0.08 0.25 0.00 0.00 0.00 175.10 176.04 1n9s h LEU 79 N 6.53 0.00 -7.09 3.92 5.85 -0.11 -3.44 115.31 120.97 1n9s h LEU 79 Ca -0.40 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1n9s h LEU 79 Cb 1.16 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.08 1n9s h LEU 79 CO 0.71 0.79 0.19 -0.72 -0.34 0.00 0.00 178.44 179.08 1n9s s TYR 80 N -2.13 -0.50 -0.10 1.25 -0.85 -1.14 -5.02 117.35 108.87 1n9s s TYR 80 Ca -0.14 0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.70 1n9s s TYR 80 Cb 0.02 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 1n9s s TYR 80 CO 0.23 -0.87 -0.18 0.42 -1.52 0.00 0.00 175.55 173.64 1n9s s ILE 81 N -3.76 2.67 0.11 -3.49 1.01 -1.26 -1.38 121.20 115.10 1n9s s ILE 81 Ca 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1n9s s ILE 81 Cb -0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1n9s s ILE 81 CO -0.12 0.55 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 1n9s s ARG 82 N 0.07 1.02 -0.13 2.79 1.70 0.31 -4.93 118.95 119.78 1n9s s ARG 82 Ca -0.08 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 53.82 1n9s s ARG 82 Cb -0.15 -0.97 -0.04 0.00 -0.57 0.00 0.00 34.95 33.22 1n9s s ARG 82 CO 0.05 0.20 0.43 -2.00 -1.08 0.00 0.00 175.30 172.90 1n9s s GLU 83 N -2.45 4.32 0.10 3.89 2.12 -1.26 0.18 118.70 125.60 1n9s s GLU 83 Ca 0.07 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 1n9s s GLU 83 Cb -0.06 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 1n9s s GLU 83 CO 0.03 0.17 1.13 -0.51 -0.54 0.00 0.00 175.26 175.54 1n9s s LEU 84 N 0.60 4.42 0.02 2.70 1.43 -0.84 -4.84 118.68 122.17 1n9s s LEU 84 Ca 0.24 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 55.29 1n9s s LEU 84 Cb -0.15 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1n9s s LEU 84 CO 0.09 -0.34 0.51 -2.65 0.23 0.00 0.00 176.35 174.19 1n9s n PRO 85 N 3.29 -0.06 0.00 1.29 -0.01 -1.26 -4.80 135.00 133.45 1n9s n PRO 85 Ca 0.06 0.50 0.00 0.00 -0.01 0.00 0.00 63.50 64.05 1n9s n PRO 85 Cb 0.47 -0.75 0.00 0.00 -0.01 0.00 0.00 33.50 33.21 1n9s n PRO 85 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76