#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxl h ILE 17 N 0.00 0.97 -2.65 -0.61 2.04 -1.98 -3.47 117.51 111.82 1hxl h ILE 17 Ca 0.00 -2.59 -0.56 0.00 1.00 0.00 0.00 64.86 62.72 1hxl h ILE 17 Cb 0.00 2.74 0.07 0.00 -0.74 0.00 0.00 36.82 38.89 1hxl h ILE 17 CO 0.00 0.84 0.83 0.41 0.00 0.00 0.00 178.15 180.23 1hxl n THR 18 N -3.53 0.40 0.00 -0.27 -1.04 -1.26 -4.80 114.28 103.77 1hxl n THR 18 Ca -0.23 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1hxl n THR 18 Cb 1.07 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1hxl n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hxl n GLY 19 N 3.04 0.96 3.76 3.41 0.00 0.25 -5.00 105.19 111.61 1hxl n GLY 19 Ca 0.14 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1hxl n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxl s THR 20 N -2.27 5.41 0.12 2.61 2.01 -1.26 -1.26 115.64 121.00 1hxl s THR 20 Ca 0.00 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.27 1hxl s THR 20 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1hxl s THR 20 CO 0.00 0.48 -0.20 0.26 -0.69 0.00 0.00 174.62 174.47 1hxl s TRP 21 N 0.05 1.82 -0.02 4.92 0.52 0.22 -4.65 118.94 121.80 1hxl s TRP 21 Ca 0.09 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1hxl s TRP 21 Cb -0.11 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1hxl s TRP 21 CO -0.01 0.25 -0.14 0.71 0.02 0.00 0.00 176.95 177.79 1hxl s TYR 22 N -1.44 1.29 0.33 -1.98 2.02 0.01 -0.23 117.35 117.36 1hxl s TYR 22 Ca 0.10 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1hxl s TYR 22 Cb -0.09 -0.86 0.05 0.00 -0.40 0.00 0.00 41.96 40.67 1hxl s TYR 22 CO 0.05 -0.07 0.41 0.27 -1.57 0.00 0.00 175.55 174.65 1hxl n ASN 23 N 2.92 1.43 -1.09 2.29 6.94 -1.05 -0.60 115.26 126.10 1hxl n ASN 23 Ca -0.16 -1.95 0.06 0.00 -0.02 0.00 0.00 54.58 52.51 1hxl n ASN 23 Cb 0.54 -0.19 0.23 0.00 -2.36 0.00 0.00 39.78 38.00 1hxl n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hxl n GLN 24 N -1.62 2.70 -0.11 -3.83 6.02 -1.25 -3.97 117.38 115.31 1hxl n GLN 24 Ca 0.07 -1.81 0.04 0.00 -0.01 0.00 0.00 57.00 55.29 1hxl n GLN 24 Cb 0.35 -1.64 0.10 0.00 1.02 0.00 0.00 30.24 30.07 1hxl n GLN 24 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1hxl n LEU 25 N 0.65 2.56 0.00 1.08 4.77 -1.26 -4.98 117.00 119.81 1hxl n LEU 25 Ca 0.16 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1hxl n LEU 25 Cb 0.60 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1hxl n LEU 25 CO 0.15 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1hxl n GLY 26 N -0.24 0.56 3.80 -0.72 0.00 -1.25 -5.00 105.19 102.34 1hxl n GLY 26 Ca 0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1hxl n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxl s SER 27 N -2.50 5.66 -0.07 1.61 0.01 -1.26 -0.29 113.70 116.85 1hxl s SER 27 Ca 0.00 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1hxl s SER 27 Cb 0.00 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 1hxl s SER 27 CO 0.00 0.15 -0.23 -0.89 0.41 0.00 0.00 173.24 172.69 1hxl s THR 28 N -1.46 2.23 -0.22 1.44 2.01 0.10 -2.54 115.64 117.19 1hxl s THR 28 Ca 0.30 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1hxl s THR 28 Cb -0.12 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1hxl s THR 28 CO 0.23 0.56 -0.12 0.12 -0.69 0.00 0.00 174.62 174.72 1hxl s PHE 29 N -0.04 3.00 -0.22 4.92 5.36 0.68 -0.86 117.98 130.82 1hxl s PHE 29 Ca -0.07 -1.73 -0.03 0.00 -0.96 0.00 0.00 56.93 54.13 1hxl s PHE 29 Cb -0.15 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1hxl s PHE 29 CO 0.05 -0.78 -0.05 0.42 -1.46 0.00 0.00 175.22 173.39 1hxl s ILE 30 N 1.27 3.28 0.03 3.12 1.01 -0.40 0.71 121.20 130.22 1hxl s ILE 30 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1hxl s ILE 30 Cb -0.16 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1hxl s ILE 30 CO -0.08 0.43 0.01 0.54 0.00 0.00 0.00 174.94 175.84 1hxl s VAL 31 N 1.47 0.15 -0.11 2.92 0.11 -0.39 -1.10 120.40 123.45 1hxl s VAL 31 Ca 0.06 -1.25 0.03 0.00 -2.93 0.00 0.00 61.98 57.89 1hxl s VAL 31 Cb -0.14 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1hxl s VAL 31 CO -0.04 -0.69 -0.19 -0.89 -3.33 0.00 0.00 175.10 169.97 1hxl s THR 32 N -2.56 1.71 -0.37 5.04 2.01 0.26 -0.59 115.64 121.14 1hxl s THR 32 Ca -0.06 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 1hxl s THR 32 Cb -0.02 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 1hxl s THR 32 CO -0.05 0.48 0.30 0.00 -0.69 0.00 0.00 174.62 174.66 1hxl s ALA 33 N 0.72 3.49 0.62 7.40 0.00 -1.26 -2.20 121.76 130.52 1hxl s ALA 33 Ca -0.12 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1hxl s ALA 33 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1hxl s ALA 33 CO 0.02 -1.20 1.03 0.20 0.00 0.00 0.00 175.76 175.81 1hxl s GLY 34 N 1.72 1.75 0.57 0.00 0.00 0.28 -4.90 107.32 106.75 1hxl s GLY 34 Ca 0.07 0.02 0.35 0.00 0.00 0.00 0.00 44.72 45.16 1hxl s GLY 34 CO 0.11 0.30 2.11 0.00 0.00 0.00 0.00 173.10 175.62 1hxl h ALA 35 N -0.18 1.06 -0.00 3.20 0.00 -1.98 -2.52 119.26 118.85 1hxl h ALA 35 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1hxl h ALA 35 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hxl h ALA 35 CO 0.60 0.05 -0.09 -0.40 0.00 0.00 0.00 179.25 179.41 1hxl n ASP 36 N -3.22 0.36 0.00 0.00 3.85 -1.26 -4.89 116.55 111.39 1hxl n ASP 36 Ca -0.01 -0.47 0.00 0.00 -0.71 0.00 0.00 54.79 53.60 1hxl n ASP 36 Cb 0.23 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1hxl n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hxl n GLY 37 N 1.28 0.88 3.83 6.12 0.00 -0.95 -4.94 105.19 111.43 1hxl n GLY 37 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1hxl n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxl s ALA 38 N -2.00 3.43 -0.11 4.61 0.00 -1.26 -0.88 121.76 125.55 1hxl s ALA 38 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1hxl s ALA 38 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1hxl s ALA 38 CO 0.00 0.37 -0.18 -0.51 0.00 0.00 0.00 175.76 175.44 1hxl s LEU 39 N -2.31 1.87 0.02 0.00 1.43 -0.15 -0.55 118.68 118.98 1hxl s LEU 39 Ca 0.45 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1hxl s LEU 39 Cb -0.14 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1hxl s LEU 39 CO 0.20 0.05 -0.05 0.42 0.23 0.00 0.00 176.35 177.20 1hxl s THR 40 N 0.84 0.29 -3.17 5.49 -4.23 -0.94 -0.76 115.64 113.17 1hxl s THR 40 Ca -0.09 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1hxl s THR 40 Cb -0.15 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1hxl s THR 40 CO -0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1hxl n GLY 41 N 1.99 -0.57 2.96 3.99 0.00 -1.00 -0.58 105.19 111.98 1hxl n GLY 41 Ca -0.20 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1hxl n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hxl s THR 42 N -3.57 0.18 -0.16 2.61 -4.23 -0.26 -1.92 115.64 108.29 1hxl s THR 42 Ca 0.00 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1hxl s THR 42 Cb 0.00 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 1hxl s THR 42 CO 0.00 -0.24 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.24 1hxl s TYR 43 N -0.80 2.81 0.21 3.99 6.14 -0.02 -1.27 117.35 128.41 1hxl s TYR 43 Ca -0.08 -0.95 -0.04 0.00 0.64 0.00 0.00 57.07 56.65 1hxl s TYR 43 Cb -0.06 -1.91 -0.03 0.00 0.42 0.00 0.00 41.96 40.39 1hxl s TYR 43 CO -0.00 -0.43 0.23 -1.83 0.64 0.00 0.00 175.55 174.16 1hxl s GLU 44 N 0.80 1.29 1.02 4.97 -1.05 -0.04 -1.05 118.70 124.65 1hxl s GLU 44 Ca -0.05 -1.52 -0.15 0.00 -0.15 0.00 0.00 54.97 53.10 1hxl s GLU 44 Cb -0.15 0.33 0.20 0.00 -0.44 0.00 0.00 34.13 34.07 1hxl s GLU 44 CO 0.01 -0.46 1.17 -1.54 0.95 0.00 0.00 175.26 175.38 1hxl s SER 45 N -3.12 2.51 0.26 0.83 1.04 -1.23 0.01 113.70 114.01 1hxl s SER 45 Ca 0.34 0.72 -0.01 0.00 0.48 0.00 0.00 55.95 57.48 1hxl s SER 45 Cb 0.05 -1.08 0.51 0.00 0.10 0.00 0.00 66.02 65.60 1hxl s SER 45 CO 0.11 -3.15 1.79 0.00 0.98 0.00 0.00 173.24 172.97 1hxl h ALA 46 N -1.91 1.31 0.29 5.32 0.00 -0.98 -2.75 119.26 120.54 1hxl h ALA 46 Ca -0.48 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1hxl h ALA 46 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hxl h ALA 46 CO 0.47 0.03 -0.14 0.28 0.00 0.00 0.00 179.25 179.89 1hxl h VAL 47 N 0.75 0.00 0.00 0.00 2.07 -1.92 -3.48 116.25 113.68 1hxl h VAL 47 Ca 0.46 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1hxl h VAL 47 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1hxl h VAL 47 CO -0.31 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.89 1hxl n GLY 48 N 0.27 1.91 3.73 2.17 0.00 -1.04 -5.09 105.19 107.14 1hxl n GLY 48 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1hxl n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxl s ASN 49 N -2.00 3.92 0.33 1.61 2.20 -1.26 -4.83 114.94 114.91 1hxl s ASN 49 Ca 0.00 2.04 0.09 0.00 -0.94 0.00 0.00 52.86 54.06 1hxl s ASN 49 Cb 0.00 -2.55 0.85 0.00 -2.00 0.00 0.00 41.25 37.55 1hxl s ASN 49 CO 0.00 -2.43 1.77 0.00 -2.94 0.00 0.00 177.10 173.49 1hxl h ALA 50 N -1.21 1.81 0.00 3.54 0.00 -1.98 0.17 119.26 121.59 1hxl h ALA 50 Ca -0.44 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1hxl h ALA 50 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hxl h ALA 50 CO 0.48 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.90 1hxl n GLU 51 N -4.77 0.10 -0.21 0.00 4.71 -1.26 -2.93 120.64 116.28 1hxl n GLU 51 Ca 0.25 0.23 0.08 0.00 -0.01 0.00 0.00 57.16 57.70 1hxl n GLU 51 Cb 0.67 -1.65 0.19 0.00 -1.01 0.00 0.00 31.44 29.65 1hxl n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1hxl n SER 52 N -1.82 3.14 -4.77 1.62 3.41 0.04 -4.77 113.62 110.46 1hxl n SER 52 Ca 0.04 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.34 1hxl n SER 52 Cb 0.27 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1hxl n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hxl s ARG 53 N -1.03 3.99 0.05 4.33 0.52 -1.15 -3.56 118.95 122.10 1hxl s ARG 53 Ca 0.30 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 1hxl s ARG 53 Cb 0.16 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1hxl s ARG 53 CO 0.21 0.43 -0.13 0.71 0.02 0.00 0.00 175.30 176.54 1hxl s TYR 54 N -0.04 1.12 0.28 -0.53 1.51 -0.21 -4.80 117.35 114.68 1hxl s TYR 54 Ca 0.12 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 1hxl s TYR 54 Cb -0.12 -0.65 -0.09 0.00 -0.11 0.00 0.00 41.96 40.99 1hxl s TYR 54 CO 0.01 0.03 1.07 0.08 -1.11 0.00 0.00 175.55 175.62 1hxl s VAL 55 N -1.05 3.61 0.02 0.71 1.01 -1.26 -0.84 120.40 122.60 1hxl s VAL 55 Ca -0.01 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1hxl s VAL 55 Cb -0.09 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1hxl s VAL 55 CO 0.01 0.35 -0.14 -1.48 0.00 0.00 0.00 175.10 173.84 1hxl s LEU 56 N -1.52 2.12 -0.01 3.92 0.05 -0.81 -4.33 118.68 118.11 1hxl s LEU 56 Ca 0.45 -0.39 -0.02 0.00 0.05 0.00 0.00 54.13 54.22 1hxl s LEU 56 Cb -0.30 -0.65 -0.00 0.00 -2.05 0.00 0.00 46.19 43.19 1hxl s LEU 56 CO 0.38 0.08 0.05 0.28 -0.55 0.00 0.00 176.35 176.59 1hxl s THR 57 N -0.67 0.04 0.00 5.48 -1.32 -1.01 -2.38 115.64 115.78 1hxl s THR 57 Ca 0.03 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1hxl s THR 57 Cb -0.07 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 1hxl s THR 57 CO 0.01 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1hxl n GLY 58 N 2.39 1.82 3.08 6.08 0.00 0.06 -0.78 105.19 117.84 1hxl n GLY 58 Ca -0.17 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1hxl n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxl s ARG 59 N -1.46 0.50 0.11 1.61 1.81 -0.50 -0.98 118.95 120.04 1hxl s ARG 59 Ca 0.00 -0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 53.25 1hxl s ARG 59 Cb 0.00 0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.68 1hxl s ARG 59 CO 0.00 -0.11 0.17 1.52 -0.68 0.00 0.00 175.30 176.19 1hxl s TYR 60 N -2.20 0.35 -0.51 -0.53 1.13 -0.06 -1.71 117.35 113.82 1hxl s TYR 60 Ca -0.09 -0.78 -0.28 0.00 -1.41 0.00 0.00 57.07 54.51 1hxl s TYR 60 Cb -0.04 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.69 1hxl s TYR 60 CO -0.03 -0.56 1.31 0.34 -2.51 0.00 0.00 175.55 174.10 1hxl s ASP 61 N -2.92 6.36 0.00 -0.18 -1.08 -0.51 -4.59 116.67 113.75 1hxl s ASP 61 Ca 0.11 0.43 0.31 0.00 -0.52 0.00 0.00 52.55 52.87 1hxl s ASP 61 Cb 0.05 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.70 1hxl s ASP 61 CO -0.06 -1.50 2.14 -1.54 0.52 0.00 0.00 175.17 174.73 1hxl n SER 62 N 8.78 0.00 -3.16 -0.34 3.41 -1.26 -3.96 113.62 117.10 1hxl n SER 62 Ca 0.13 -0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 57.86 1hxl n SER 62 Cb 0.49 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1hxl n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hxl n ALA 63 N -1.10 1.93 -0.87 7.33 0.00 -1.26 -5.04 120.51 121.50 1hxl n ALA 63 Ca 0.20 -3.27 -0.31 0.00 0.00 0.00 0.00 53.44 50.07 1hxl n ALA 63 Cb 0.15 -0.91 0.15 0.00 0.00 0.00 0.00 19.45 18.84 1hxl n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hxl s PRO 64 N -1.83 1.17 0.94 0.00 0.04 -1.25 -4.99 135.00 129.08 1hxl s PRO 64 Ca 0.37 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1hxl s PRO 64 Cb 0.29 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 33.22 1hxl s PRO 64 CO -0.09 -2.45 1.12 0.00 0.04 0.00 0.00 177.00 175.61 1hxl s ALA 65 N -2.72 1.23 -0.20 8.56 0.00 -1.26 -4.96 121.76 122.40 1hxl s ALA 65 Ca 0.65 0.38 0.15 0.00 0.00 0.00 0.00 51.96 53.14 1hxl s ALA 65 Cb -0.21 -3.38 0.46 0.00 0.00 0.00 0.00 23.12 19.99 1hxl s ALA 65 CO 0.58 -2.81 1.36 0.25 0.00 0.00 0.00 175.76 175.14 1hxl n THR 66 N -4.25 2.27 0.14 0.00 -2.24 -1.26 -4.56 114.28 104.38 1hxl n THR 66 Ca 0.10 -2.33 0.10 0.00 -2.27 0.00 0.00 64.05 59.64 1hxl n THR 66 Cb 0.53 -0.27 0.27 0.00 -2.10 0.00 0.00 70.33 68.76 1hxl n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hxl n ASP 67 N -0.96 3.23 0.00 3.42 5.68 -1.26 -4.89 116.55 121.77 1hxl n ASP 67 Ca 0.23 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1hxl n ASP 67 Cb 0.86 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1hxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hxl n GLY 68 N 1.47 0.92 3.86 6.12 0.00 -1.26 -5.08 105.19 111.21 1hxl n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1hxl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxl s SER 69 N -2.09 6.28 1.01 1.61 0.01 -1.26 -5.06 113.70 114.20 1hxl s SER 69 Ca 0.00 1.48 -0.16 0.00 1.31 0.00 0.00 55.95 58.58 1hxl s SER 69 Cb 0.00 -2.48 0.20 0.00 0.21 0.00 0.00 66.02 63.95 1hxl s SER 69 CO 0.00 -0.83 1.20 -0.83 0.41 0.00 0.00 173.24 173.19 1hxl s GLY 70 N -3.84 1.66 -0.32 3.44 0.00 -1.26 -4.82 107.32 102.17 1hxl s GLY 70 Ca 0.56 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 1hxl s GLY 70 CO 0.48 -0.19 0.14 -1.59 0.00 0.00 0.00 173.10 171.95 1hxl s THR 71 N -3.45 4.36 0.34 0.90 2.01 -0.26 -4.75 115.64 114.80 1hxl s THR 71 Ca 0.70 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1hxl s THR 71 Cb -0.09 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1hxl s THR 71 CO 0.54 -0.03 1.31 0.00 -0.69 0.00 0.00 174.62 175.75 1hxl s ALA 72 N 1.55 3.47 0.28 7.40 0.00 -1.26 -0.85 121.76 132.35 1hxl s ALA 72 Ca 0.03 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 1hxl s ALA 72 Cb -0.18 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1hxl s ALA 72 CO 0.05 -0.67 0.70 -0.48 0.00 0.00 0.00 175.76 175.36 1hxl s LEU 73 N -1.89 -0.20 -0.11 0.00 0.05 -0.35 -1.43 118.68 114.76 1hxl s LEU 73 Ca 0.50 -0.65 -0.30 0.00 0.05 0.00 0.00 54.13 53.73 1hxl s LEU 73 Cb -0.40 2.65 0.12 0.00 -2.05 0.00 0.00 46.19 46.51 1hxl s LEU 73 CO 0.53 -1.34 0.95 -0.83 -0.55 0.00 0.00 176.35 175.10 1hxl s GLY 74 N -2.93 -0.35 0.17 -3.48 0.00 -0.69 -1.73 107.32 98.30 1hxl s GLY 74 Ca 0.12 1.65 -0.14 0.00 0.00 0.00 0.00 44.72 46.35 1hxl s GLY 74 CO 0.07 0.80 0.41 0.66 0.00 0.00 0.00 173.10 175.05 1hxl s TRP 75 N -1.77 0.02 0.06 1.90 -2.14 -0.67 -1.41 118.94 114.94 1hxl s TRP 75 Ca -0.00 -0.37 0.06 0.00 2.66 0.00 0.00 56.10 58.45 1hxl s TRP 75 Cb -0.01 0.22 -0.03 0.00 -3.10 0.00 0.00 33.47 30.56 1hxl s TRP 75 CO -0.01 -0.80 -0.16 0.99 -2.66 0.00 0.00 176.95 174.31 1hxl s THR 76 N -3.88 1.27 -0.05 0.66 2.01 0.04 -1.20 115.64 114.49 1hxl s THR 76 Ca 0.10 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1hxl s THR 76 Cb 0.01 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1hxl s THR 76 CO -0.04 -0.04 0.01 -0.69 -0.69 0.00 0.00 174.62 173.17 1hxl s VAL 77 N -1.00 0.23 -0.17 3.82 1.01 -0.48 -2.41 120.40 121.40 1hxl s VAL 77 Ca 0.02 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1hxl s VAL 77 Cb -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1hxl s VAL 77 CO 0.02 0.21 0.32 0.00 0.00 0.00 0.00 175.10 175.66 1hxl s ALA 78 N 1.72 3.57 -0.62 5.51 0.00 -1.26 -0.97 121.76 129.71 1hxl s ALA 78 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1hxl s ALA 78 Cb -0.13 -2.46 -0.17 0.00 0.00 0.00 0.00 23.12 20.36 1hxl s ALA 78 CO -0.04 -0.02 3.04 0.91 0.00 0.00 0.00 175.76 179.65 1hxl n TRP 79 N 3.83 0.91 -4.02 0.00 7.02 -0.16 -4.76 117.44 120.27 1hxl n TRP 79 Ca -0.11 -1.95 -0.16 0.00 -1.02 0.00 0.00 57.50 54.26 1hxl n TRP 79 Cb 0.52 -1.81 -0.15 0.00 -2.42 0.00 0.00 31.31 27.44 1hxl n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1hxl s LYS 80 N 1.78 0.34 0.00 -0.99 2.20 -1.26 -1.05 119.74 120.76 1hxl s LYS 80 Ca 0.60 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1hxl s LYS 80 Cb 0.23 -0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1hxl s LYS 80 CO -0.02 -0.03 0.00 0.27 -0.36 0.00 0.00 175.35 175.21 1hxl n ASN 81 N 3.58 0.16 0.00 1.43 0.23 -0.46 -4.76 115.26 115.43 1hxl n ASN 81 Ca -0.20 -0.81 0.09 0.00 -0.53 0.00 0.00 54.58 53.13 1hxl n ASN 81 Cb 0.54 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.77 1hxl n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1hxl n ASN 82 N -2.30 0.00 0.00 0.53 3.02 -1.26 -3.80 115.26 111.45 1hxl n ASN 82 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1hxl n ASN 82 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hxl n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hxl n TYR 83 N -0.99 0.00 -4.17 3.10 4.02 -1.26 -5.11 117.16 112.75 1hxl n TYR 83 Ca 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.91 1hxl n TYR 83 Cb 0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.28 1hxl n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1hxl s ARG 84 N -1.74 0.85 -0.16 -0.72 0.52 -1.25 -5.14 118.95 111.31 1hxl s ARG 84 Ca 0.00 -1.32 -0.05 0.00 -0.52 0.00 0.00 55.73 53.85 1hxl s ARG 84 Cb 0.00 -0.27 0.08 0.00 0.52 0.00 0.00 34.95 35.28 1hxl s ARG 84 CO 0.00 -0.00 0.29 1.21 0.02 0.00 0.00 175.30 176.82 1hxl s ASN 85 N -2.97 0.36 0.00 0.23 3.84 -1.26 -1.36 114.94 113.78 1hxl s ASN 85 Ca 0.11 0.53 0.22 0.00 0.21 0.00 0.00 52.86 53.93 1hxl s ASN 85 Cb 0.04 0.81 0.53 0.00 -0.55 0.00 0.00 41.25 42.08 1hxl s ASN 85 CO -0.04 -0.25 1.46 0.00 -2.79 0.00 0.00 177.10 175.48 1hxl n ALA 86 N 5.36 2.38 -4.03 1.71 0.00 -0.21 -4.98 120.51 120.73 1hxl n ALA 86 Ca -0.06 -1.16 -0.35 0.00 0.00 0.00 0.00 53.44 51.86 1hxl n ALA 86 Cb 0.50 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1hxl n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hxl n HIS 87 N 1.51 -1.52 -3.76 0.00 8.25 -1.26 -4.87 115.22 113.58 1hxl n HIS 87 Ca 0.21 0.42 -0.08 0.00 -0.26 0.00 0.00 57.72 58.02 1hxl n HIS 87 Cb 0.60 -3.13 -0.02 0.00 1.12 0.00 0.00 29.99 28.56 1hxl n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hxl s SER 88 N -3.92 -0.32 -0.08 0.41 1.04 -1.26 -1.21 113.70 108.35 1hxl s SER 88 Ca 0.26 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 1hxl s SER 88 Cb -0.13 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1hxl s SER 88 CO 0.94 -1.24 0.31 0.00 0.98 0.00 0.00 173.24 174.22 1hxl s ALA 89 N -3.85 -0.76 0.00 5.32 0.00 -0.47 -0.99 121.76 121.01 1hxl s ALA 89 Ca 0.09 0.69 0.08 0.00 0.00 0.00 0.00 51.96 52.82 1hxl s ALA 89 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1hxl s ALA 89 CO 0.02 -0.18 -0.26 0.99 0.00 0.00 0.00 175.76 176.34 1hxl s THR 90 N -0.31 2.13 -0.05 0.00 2.01 -0.15 -1.28 115.64 117.99 1hxl s THR 90 Ca -0.04 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 60.81 1hxl s THR 90 Cb -0.03 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1hxl s THR 90 CO 0.02 0.51 -0.20 0.42 -0.69 0.00 0.00 174.62 174.67 1hxl s THR 91 N -0.68 1.69 -0.11 -0.82 -4.23 -0.40 -1.38 115.64 109.71 1hxl s THR 91 Ca 0.11 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1hxl s THR 91 Cb -0.10 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1hxl s THR 91 CO 0.00 0.48 -0.10 0.26 -0.54 0.00 0.00 174.62 174.72 1hxl s TRP 92 N -0.00 2.87 -0.07 3.99 0.51 -0.34 -1.24 118.94 124.66 1hxl s TRP 92 Ca -0.05 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.59 1hxl s TRP 92 Cb -0.13 -1.82 0.01 0.00 -0.81 0.00 0.00 33.47 30.72 1hxl s TRP 92 CO 0.03 -0.01 -0.13 0.45 -0.51 0.00 0.00 176.95 176.78 1hxl s SER 93 N -0.01 1.94 0.00 2.95 0.15 -0.11 -1.66 113.70 116.95 1hxl s SER 93 Ca -0.02 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1hxl s SER 93 Cb -0.14 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 1hxl s SER 93 CO 0.04 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1hxl n GLY 94 N 3.91 1.12 3.10 9.45 0.00 -0.71 -1.33 105.19 120.73 1hxl n GLY 94 Ca -0.22 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1hxl n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hxl s GLN 95 N 1.59 0.46 -0.08 1.61 -2.07 -0.70 -1.21 119.66 119.26 1hxl s GLN 95 Ca 0.00 -0.33 -0.16 0.00 -1.82 0.00 0.00 55.36 53.05 1hxl s GLN 95 Cb 0.00 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 1hxl s GLN 95 CO 0.00 -0.11 0.42 -0.47 -1.32 0.00 0.00 175.29 173.82 1hxl s TYR 96 N -1.22 3.58 -0.18 9.60 5.04 -0.03 -1.82 117.35 132.32 1hxl s TYR 96 Ca -0.13 0.88 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 1hxl s TYR 96 Cb -0.07 -2.43 0.03 0.00 0.35 0.00 0.00 41.96 39.85 1hxl s TYR 96 CO 0.01 0.34 -0.12 0.08 -1.34 0.00 0.00 175.55 174.52 1hxl s VAL 97 N 0.01 1.66 0.39 3.14 1.01 0.03 -1.10 120.40 125.54 1hxl s VAL 97 Ca 0.24 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1hxl s VAL 97 Cb -0.15 -1.65 0.09 0.00 0.00 0.00 0.00 36.38 34.67 1hxl s VAL 97 CO 0.10 0.30 0.51 0.61 0.00 0.00 0.00 175.10 176.63 1hxl n GLY 98 N 4.71 -1.39 0.00 4.51 0.00 -1.26 -1.42 105.19 110.33 1hxl n GLY 98 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1hxl n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxl n GLY 99 N 1.42 0.04 0.36 -0.02 0.00 -1.26 -4.48 105.19 101.26 1hxl n GLY 99 Ca 0.06 -2.29 0.02 0.00 0.00 0.00 0.00 46.02 43.82 1hxl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxl h ALA 100 N 0.00 1.47 -1.96 4.61 0.00 -2.07 -2.85 119.26 118.48 1hxl h ALA 100 Ca 0.00 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 54.17 1hxl h ALA 100 Cb 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 17.79 17.14 1hxl h ALA 100 CO 0.00 0.43 0.11 -1.91 0.00 0.00 0.00 179.25 177.88 1hxl n GLU 101 N -4.45 3.79 -2.04 0.00 4.07 -1.26 -5.06 120.64 115.68 1hxl n GLU 101 Ca 0.12 -4.68 -0.38 0.00 -0.06 0.00 0.00 57.16 52.16 1hxl n GLU 101 Cb 0.13 -2.37 0.01 0.00 -0.06 0.00 0.00 31.44 29.15 1hxl n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hxl s ALA 102 N -3.11 2.90 0.17 4.31 0.00 -1.08 -4.92 121.76 120.03 1hxl s ALA 102 Ca 0.39 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 1hxl s ALA 102 Cb 0.15 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1hxl s ALA 102 CO -0.02 -0.98 0.60 -0.98 0.00 0.00 0.00 175.76 174.38 1hxl s ARG 103 N -2.81 1.33 -0.21 0.00 1.70 -0.51 -4.18 118.95 114.28 1hxl s ARG 103 Ca 0.67 -0.56 0.01 0.00 -0.47 0.00 0.00 55.73 55.39 1hxl s ARG 103 Cb -0.34 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1hxl s ARG 103 CO 0.40 -0.58 -0.10 0.42 -1.08 0.00 0.00 175.30 174.35 1hxl s ILE 104 N -3.78 1.70 -0.24 4.99 1.01 -0.56 -0.79 121.20 123.54 1hxl s ILE 104 Ca 0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1hxl s ILE 104 Cb -0.01 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1hxl s ILE 104 CO -0.10 0.15 0.22 0.20 0.00 0.00 0.00 174.94 175.41 1hxl s ASN 105 N 1.37 6.19 0.22 3.58 0.02 -0.75 -0.94 114.94 124.61 1hxl s ASN 105 Ca -0.02 0.20 0.01 0.00 -1.02 0.00 0.00 52.86 52.03 1hxl s ASN 105 Cb -0.17 -2.14 -0.05 0.00 0.02 0.00 0.00 41.25 38.92 1hxl s ASN 105 CO -0.08 0.02 0.07 0.42 0.02 0.00 0.00 177.10 177.54 1hxl s THR 106 N 1.20 0.51 0.01 1.60 -4.23 -0.40 -1.72 115.64 112.61 1hxl s THR 106 Ca 0.10 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1hxl s THR 106 Cb -0.14 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1hxl s THR 106 CO 0.06 -0.18 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.74 1hxl s GLN 107 N -4.01 0.85 0.20 3.99 -0.21 -0.44 -2.36 119.66 117.68 1hxl s GLN 107 Ca 0.33 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 55.24 1hxl s GLN 107 Cb 0.07 -0.81 -0.05 0.00 1.00 0.00 0.00 33.01 33.22 1hxl s GLN 107 CO 0.10 0.21 -0.05 1.67 -2.12 0.00 0.00 175.29 175.10 1hxl s TRP 108 N -0.50 1.46 -0.08 0.91 1.48 0.09 -0.94 118.94 121.37 1hxl s TRP 108 Ca 0.02 -0.83 0.00 0.00 -1.06 0.00 0.00 56.10 54.23 1hxl s TRP 108 Cb -0.06 -0.80 0.02 0.00 -1.16 0.00 0.00 33.47 31.48 1hxl s TRP 108 CO 0.00 0.04 -0.05 -0.51 -4.06 0.00 0.00 176.95 172.37 1hxl s LEU 109 N -3.25 1.12 -0.28 -4.66 1.43 -0.37 -1.88 118.68 110.78 1hxl s LEU 109 Ca 0.23 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1hxl s LEU 109 Cb 0.04 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.65 1hxl s LEU 109 CO 0.05 -0.10 0.00 -0.22 0.23 0.00 0.00 176.35 176.31 1hxl s LEU 110 N 1.45 3.61 -0.14 1.79 2.96 -0.08 -1.28 118.68 126.99 1hxl s LEU 110 Ca -0.02 -0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 52.92 1hxl s LEU 110 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1hxl s LEU 110 CO -0.04 -0.19 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.87 1hxl s THR 111 N 1.36 3.89 0.07 3.68 2.01 -0.40 -0.81 115.64 125.44 1hxl s THR 111 Ca -0.01 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1hxl s THR 111 Cb -0.18 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1hxl s THR 111 CO -0.01 0.52 0.08 -0.44 -0.69 0.00 0.00 174.62 174.07 1hxl s SER 112 N 0.11 5.54 0.02 3.53 0.01 -0.31 -1.37 113.70 121.23 1hxl s SER 112 Ca -0.01 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1hxl s SER 112 Cb -0.14 -1.50 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1hxl s SER 112 CO 0.03 0.19 1.31 -0.83 0.41 0.00 0.00 173.24 174.34 1hxl s GLY 113 N -2.30 2.06 0.28 3.44 0.00 -0.35 -4.87 107.32 105.58 1hxl s GLY 113 Ca 0.28 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.87 1hxl s GLY 113 CO 0.21 2.31 0.12 -0.51 0.00 0.00 0.00 173.10 175.22 1hxl s THR 114 N 1.84 0.48 0.83 0.90 -4.23 -1.26 -5.02 115.64 109.18 1hxl s THR 114 Ca 0.61 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1hxl s THR 114 Cb -0.30 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.04 1hxl s THR 114 CO 0.27 0.00 1.17 0.42 -0.54 0.00 0.00 174.62 175.94 1hxl s THR 115 N -3.70 2.02 0.34 3.99 -4.23 -1.26 -4.86 115.64 107.93 1hxl s THR 115 Ca 0.37 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1hxl s THR 115 Cb 0.07 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 71.13 1hxl s THR 115 CO 0.15 -0.01 1.91 -0.33 -0.54 0.00 0.00 174.62 175.80 1hxl h GLU 116 N -1.14 0.62 0.00 3.99 4.39 -2.01 -2.32 114.58 118.11 1hxl h GLU 116 Ca -0.47 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 1hxl h GLU 116 Cb 1.33 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1hxl h GLU 116 CO 0.65 0.56 -0.29 0.00 -1.16 0.00 0.00 179.01 178.78 1hxl h ALA 117 N 1.52 1.43 -0.51 3.43 0.00 -2.06 -2.90 119.26 120.17 1hxl h ALA 117 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hxl h ALA 117 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hxl h ALA 117 CO -0.00 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1hxl n ASN 118 N -4.06 3.43 0.22 0.00 3.02 -0.98 -4.55 115.26 112.34 1hxl n ASN 118 Ca -0.02 -1.97 0.11 0.00 -0.03 0.00 0.00 54.58 52.67 1hxl n ASN 118 Cb 0.35 -0.34 0.68 0.00 -0.61 0.00 0.00 39.78 39.86 1hxl n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hxl h ALA 119 N 3.49 2.03 0.00 5.41 0.00 -1.21 -2.10 119.26 126.88 1hxl h ALA 119 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1hxl h ALA 119 Cb 0.88 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1hxl h ALA 119 CO 0.00 -0.11 -0.14 0.11 0.00 0.00 0.00 179.25 179.11 1hxl h TRP 120 N 0.00 0.00 -0.60 0.00 5.08 -1.81 -2.72 115.95 115.90 1hxl h TRP 120 Ca 0.04 0.00 -0.41 0.00 1.08 0.00 0.00 58.89 59.61 1hxl h TRP 120 Cb 0.17 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 26.07 1hxl h TRP 120 CO 0.00 0.14 -0.29 0.36 -1.28 0.00 0.00 178.44 177.37 1hxl n LYS 121 N -3.83 2.73 0.03 0.12 2.85 -0.79 -4.70 118.16 114.57 1hxl n LYS 121 Ca -0.02 -3.65 0.12 0.00 -1.05 0.00 0.00 58.31 53.71 1hxl n LYS 121 Cb 0.24 -2.08 0.19 0.00 -0.65 0.00 0.00 35.03 32.73 1hxl n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1hxl n SER 122 N -0.91 0.60 -4.04 -5.58 3.41 -1.03 -4.89 113.62 101.18 1hxl n SER 122 Ca 0.41 -0.06 -0.28 0.00 -0.26 0.00 0.00 58.87 58.68 1hxl n SER 122 Cb 0.91 0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 64.96 1hxl n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hxl s THR 123 N -3.10 1.44 0.04 6.66 2.01 -1.26 -1.17 115.64 120.27 1hxl s THR 123 Ca 0.08 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1hxl s THR 123 Cb 0.15 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1hxl s THR 123 CO 0.72 0.43 0.21 -0.76 -0.69 0.00 0.00 174.62 174.53 1hxl s LEU 124 N 1.09 4.36 0.03 4.42 1.43 0.01 -4.92 118.68 125.10 1hxl s LEU 124 Ca -0.05 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.43 1hxl s LEU 124 Cb -0.14 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1hxl s LEU 124 CO -0.03 0.19 -0.19 0.54 0.23 0.00 0.00 176.35 177.10 1hxl s VAL 125 N -1.46 1.49 0.00 -1.59 0.11 -1.26 -0.91 120.40 116.78 1hxl s VAL 125 Ca 0.33 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1hxl s VAL 125 Cb -0.13 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1hxl s VAL 125 CO 0.25 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1hxl n GLY 126 N 1.98 2.13 3.18 6.54 0.00 -0.79 -4.99 105.19 113.23 1hxl n GLY 126 Ca -0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1hxl n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hxl s HIS 127 N -6.37 -0.30 0.03 1.61 -3.43 -1.26 -0.73 115.29 104.84 1hxl s HIS 127 Ca 0.00 0.72 0.04 0.00 -0.80 0.00 0.00 55.06 55.02 1hxl s HIS 127 Cb 0.00 0.10 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 1hxl s HIS 127 CO 0.00 -0.18 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.92 1hxl s ASP 128 N -0.01 1.55 -0.14 7.38 1.01 -0.99 -4.96 116.67 120.50 1hxl s ASP 128 Ca -0.02 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.84 1hxl s ASP 128 Cb -0.02 -0.10 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1hxl s ASP 128 CO 0.01 0.04 -0.20 -0.89 0.21 0.00 0.00 175.17 174.34 1hxl s THR 129 N -0.78 1.92 -0.09 -1.27 2.01 -1.26 -1.27 115.64 114.89 1hxl s THR 129 Ca 0.01 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1hxl s THR 129 Cb -0.07 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1hxl s THR 129 CO 0.01 0.52 0.01 -0.36 -0.69 0.00 0.00 174.62 174.11 1hxl s PHE 130 N 0.97 3.18 0.23 4.92 0.40 -0.12 -3.88 117.98 123.69 1hxl s PHE 130 Ca -0.04 0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1hxl s PHE 130 Cb -0.15 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 1hxl s PHE 130 CO -0.04 0.48 -0.04 0.95 0.70 0.00 0.00 175.22 177.26 1hxl s THR 131 N -0.87 1.31 -0.82 0.64 -4.23 0.23 -1.49 115.64 110.41 1hxl s THR 131 Ca 0.13 -2.08 0.27 0.00 -1.18 0.00 0.00 61.69 58.83 1hxl s THR 131 Cb -0.11 -2.30 0.23 0.00 1.34 0.00 0.00 72.50 71.66 1hxl s THR 131 CO 0.02 -0.39 1.75 0.29 -0.54 0.00 0.00 174.62 175.76 1hxl n LYS 132 N -0.44 0.17 -4.92 3.99 5.02 -1.26 -0.81 118.16 119.90 1hxl n LYS 132 Ca -0.06 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1hxl n LYS 132 Cb 0.63 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.81 1hxl n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hxl s VAL 133 N -3.07 2.19 -2.00 -0.18 1.01 -1.26 -4.86 120.40 112.22 1hxl s VAL 133 Ca 0.11 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.76 1hxl s VAL 133 Cb 0.15 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1hxl s VAL 133 CO 0.60 0.38 0.64 0.29 0.00 0.00 0.00 175.10 177.01