#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkb s VAL 17 N 0.00 2.71 -0.54 1.39 1.01 0.33 -3.67 120.40 121.63 1xkb s VAL 17 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 1xkb s VAL 17 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1xkb s VAL 17 CO 0.00 0.22 0.05 0.61 0.00 0.00 0.00 175.10 175.98 1xkb n GLY 18 N 4.64 0.16 0.00 4.51 0.00 -1.26 -1.25 105.19 111.99 1xkb n GLY 18 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1xkb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkb n GLY 19 N -1.00 0.61 0.00 -0.02 0.00 -1.26 -4.86 105.19 98.66 1xkb n GLY 19 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xkb n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkb n GLN 20 N 0.00 0.00 -2.59 1.61 10.64 -0.97 -4.97 117.38 121.10 1xkb n GLN 20 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1xkb n GLN 20 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1xkb n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1xkb s GLU 21 N -2.00 4.11 0.09 2.61 2.02 -1.26 -0.04 118.70 124.22 1xkb s GLU 21 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 54.97 56.11 1xkb s GLU 21 Cb 0.00 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 1xkb s GLU 21 CO 0.00 -0.18 1.10 0.00 0.02 0.00 0.00 175.26 176.21 1xkb n LYS 23 N 3.32 -1.01 -2.55 0.00 4.01 -1.26 -4.91 118.16 115.76 1xkb n LYS 23 Ca 0.06 -0.19 -0.42 0.00 -0.51 0.00 0.00 58.31 57.25 1xkb n LYS 23 Cb 0.47 -0.17 -0.03 0.00 -0.51 0.00 0.00 35.03 34.79 1xkb n LYS 23 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xkb s ASP 24 N -1.76 7.24 -1.63 4.39 1.11 -1.26 -3.07 116.67 121.69 1xkb s ASP 24 Ca 0.08 1.92 0.00 0.00 0.18 0.00 0.00 52.55 54.72 1xkb s ASP 24 Cb -0.01 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1xkb s ASP 24 CO 0.06 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.70 1xkb n GLY 25 N 2.76 1.53 0.09 0.21 0.00 -1.26 -4.87 105.19 103.64 1xkb n GLY 25 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1xkb n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xkb n GLU 26 N -2.55 0.64 -3.13 1.61 2.13 -1.18 -4.53 120.64 113.63 1xkb n GLU 26 Ca -0.16 0.20 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 1xkb n GLU 26 Cb 0.51 -1.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.45 1xkb n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xkb h PRO 28 N 3.03 0.00 -0.14 0.00 0.13 -1.80 -3.05 132.00 130.17 1xkb h PRO 28 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xkb h PRO 28 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xkb h PRO 28 CO 0.46 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.61 1xkb n TRP 29 N -3.20 0.10 -3.06 1.56 2.14 -0.97 -2.68 117.44 111.33 1xkb n TRP 29 Ca -0.00 -0.05 -0.40 0.00 2.07 0.00 0.00 57.50 59.12 1xkb n TRP 29 Cb 0.29 -0.01 -0.05 0.00 -0.81 0.00 0.00 31.31 30.73 1xkb n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xkb s GLN 30 N -1.85 4.43 0.28 -2.67 2.00 -1.16 -0.58 119.66 120.12 1xkb s GLN 30 Ca 0.05 0.85 0.09 0.00 -2.00 0.00 0.00 55.36 54.35 1xkb s GLN 30 Cb 0.03 -3.45 -0.06 0.00 0.80 0.00 0.00 33.01 30.33 1xkb s GLN 30 CO 0.03 0.06 -0.11 0.00 -0.50 0.00 0.00 175.29 174.77 1xkb s ALA 31 N 0.81 2.54 -0.05 1.58 0.00 -0.82 -4.47 121.76 121.36 1xkb s ALA 31 Ca 0.37 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 1xkb s ALA 31 Cb -0.18 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1xkb s ALA 31 CO 0.18 0.07 0.03 -1.17 0.00 0.00 0.00 175.76 174.86 1xkb s LEU 32 N -3.48 0.51 -0.33 0.00 2.96 -0.89 -2.07 118.68 115.38 1xkb s LEU 32 Ca 0.29 0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.94 1xkb s LEU 32 Cb 0.01 -0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1xkb s LEU 32 CO 0.13 -0.20 0.95 -0.76 -1.32 0.00 0.00 176.35 175.15 1xkb s LEU 33 N 1.84 4.00 -0.18 -0.68 1.43 0.31 -2.14 118.68 123.25 1xkb s LEU 33 Ca 0.02 0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1xkb s LEU 33 Cb -0.12 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1xkb s LEU 33 CO -0.03 -0.80 0.02 0.27 0.23 0.00 0.00 176.35 176.04 1xkb s ILE 34 N 3.40 4.33 0.00 -0.59 -4.36 -0.88 -1.08 121.20 122.02 1xkb s ILE 34 Ca 0.40 -0.19 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 1xkb s ILE 34 Cb -0.13 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1xkb s ILE 34 CO 0.15 0.46 0.00 -0.46 0.24 0.00 0.00 174.94 175.34 1xkb n ASN 35 N 3.67 -0.37 0.30 4.36 6.94 -0.03 -2.10 115.26 128.03 1xkb n ASN 35 Ca -0.17 -0.18 0.18 0.00 -0.02 0.00 0.00 54.58 54.39 1xkb n ASN 35 Cb 0.52 0.00 0.90 0.00 -2.36 0.00 0.00 39.78 38.84 1xkb n ASN 35 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1xkb h GLU 36 N 0.00 0.00 -0.30 -3.83 3.07 -1.81 -1.41 114.58 110.30 1xkb h GLU 36 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xkb h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xkb h GLU 36 CO 0.00 0.04 0.00 0.39 -1.40 0.00 0.00 179.01 178.04 1xkb n GLU 37 N -3.30 2.27 -1.10 2.33 -0.58 -1.26 -4.93 120.64 114.08 1xkb n GLU 37 Ca -0.02 -1.92 -0.03 0.00 -0.42 0.00 0.00 57.16 54.77 1xkb n GLU 37 Cb 0.19 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1xkb n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xkb n ASN 38 N 1.15 -4.07 -4.80 1.62 3.02 -0.53 -5.00 115.26 106.65 1xkb n ASN 38 Ca 0.18 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 1xkb n ASN 38 Cb 0.53 -1.85 -0.07 0.00 -0.61 0.00 0.00 39.78 37.78 1xkb n ASN 38 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1xkb s GLU 39 N -1.55 3.88 0.23 3.52 -1.05 -1.26 -4.75 118.70 117.72 1xkb s GLU 39 Ca 0.00 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 1xkb s GLU 39 Cb 0.00 -3.31 -0.09 0.00 -0.44 0.00 0.00 34.13 30.29 1xkb s GLU 39 CO 0.00 0.52 1.27 0.20 0.95 0.00 0.00 175.26 178.21 1xkb s GLY 40 N -0.35 2.65 0.00 -3.83 0.00 -1.26 -0.85 107.32 103.67 1xkb s GLY 40 Ca 0.15 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1xkb s GLY 40 CO 0.04 1.96 0.06 1.97 0.00 0.00 0.00 173.10 177.13 1xkb n PHE 41 N 2.12 0.00 -3.72 1.90 -1.74 -0.24 -4.92 117.46 110.86 1xkb n PHE 41 Ca 0.04 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.89 1xkb n PHE 41 Cb 0.43 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.42 1xkb n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1xkb n GLY 43 N -0.44 5.33 3.61 0.00 0.00 0.16 -0.53 105.19 113.32 1xkb n GLY 43 Ca -0.06 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 43.93 1xkb n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xkb s GLY 44 N -0.50 -0.44 -0.08 -0.02 0.00 -0.88 -4.16 107.32 101.24 1xkb s GLY 44 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1xkb s GLY 44 CO 0.00 0.39 -0.16 -1.59 0.00 0.00 0.00 173.10 171.74 1xkb s THR 45 N -2.25 1.47 -0.14 0.90 2.01 0.18 -1.94 115.64 115.86 1xkb s THR 45 Ca 0.15 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 1xkb s THR 45 Cb 0.06 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1xkb s THR 45 CO -0.05 0.43 1.32 -0.63 -0.69 0.00 0.00 174.62 175.00 1xkb s ILE 46 N 0.58 4.17 -0.15 1.82 1.01 0.25 0.45 121.20 129.33 1xkb s ILE 46 Ca -0.15 1.41 0.19 0.00 0.00 0.00 0.00 60.65 62.10 1xkb s ILE 46 Cb -0.16 -3.91 -0.27 0.00 0.01 0.00 0.00 42.46 38.12 1xkb s ILE 46 CO 0.05 -0.12 0.18 0.18 0.00 0.00 0.00 174.94 175.23 1xkb n LEU 47 N 6.62 0.00 0.00 2.97 4.77 0.85 -2.26 117.00 129.95 1xkb n LEU 47 Ca 0.14 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1xkb n LEU 47 Cb 0.45 0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.91 1xkb n LEU 47 CO 0.57 0.36 0.59 -1.54 -1.33 0.00 0.00 177.39 176.04 1xkb n SER 48 N -2.61 -0.94 0.31 -1.43 3.41 -1.05 -4.72 113.62 106.59 1xkb n SER 48 Ca -0.25 -1.39 0.21 0.00 -0.26 0.00 0.00 58.87 57.18 1xkb n SER 48 Cb 1.00 1.51 1.11 0.00 -0.26 0.00 0.00 64.21 67.56 1xkb n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1xkb h GLU 49 N 0.00 0.00 0.00 4.33 9.09 -1.98 -3.12 114.58 122.90 1xkb h GLU 49 Ca -0.15 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.25 1xkb h GLU 49 Cb 0.75 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1xkb h GLU 49 CO 0.21 0.00 -1.08 1.19 0.05 0.00 0.00 179.01 179.39 1xkb n PHE 50 N -2.97 0.00 -4.87 2.06 3.72 -1.26 0.21 117.46 114.35 1xkb n PHE 50 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 1xkb n PHE 50 Cb 0.08 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 1xkb n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1xkb s TYR 51 N -2.11 2.73 -0.05 1.38 2.02 -1.18 -0.12 117.35 120.02 1xkb s TYR 51 Ca -0.01 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1xkb s TYR 51 Cb 0.01 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1xkb s TYR 51 CO 0.07 0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.28 1xkb s ILE 52 N -0.32 1.75 -0.22 2.71 -1.09 -0.79 -0.10 121.20 123.14 1xkb s ILE 52 Ca 0.03 -0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 57.42 1xkb s ILE 52 Cb -0.13 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1xkb s ILE 52 CO 0.03 0.49 0.26 -0.22 -1.23 0.00 0.00 174.94 174.27 1xkb s LEU 53 N -0.10 4.14 0.00 2.97 2.96 0.17 -1.06 118.68 127.76 1xkb s LEU 53 Ca -0.03 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1xkb s LEU 53 Cb -0.12 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1xkb s LEU 53 CO 0.03 0.02 0.00 1.07 -1.32 0.00 0.00 176.35 176.14 1xkb n THR 54 N 4.25 0.00 -4.17 3.68 5.66 -0.23 0.52 114.28 123.98 1xkb n THR 54 Ca -0.12 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.52 1xkb n THR 54 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 1xkb n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xkb s ALA 55 N -2.00 3.52 0.34 1.79 0.00 -1.26 -1.85 121.76 122.30 1xkb s ALA 55 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1xkb s ALA 55 Cb 0.00 -1.68 0.65 0.00 0.00 0.00 0.00 23.12 22.09 1xkb s ALA 55 CO 0.00 0.59 1.97 0.00 0.00 0.00 0.00 175.76 178.31 1xkb h ALA 56 N 5.14 1.61 0.00 0.00 0.00 -1.74 -1.87 119.26 122.39 1xkb h ALA 56 Ca -0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1xkb h ALA 56 Cb 1.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xkb h ALA 56 CO 0.56 0.30 -0.04 1.12 0.00 0.00 0.00 179.25 181.20 1xkb h HIS 57 N 0.86 0.00 0.00 0.00 2.07 -1.92 -2.10 115.15 114.06 1xkb h HIS 57 Ca 0.30 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.80 1xkb h HIS 57 Cb 0.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 1xkb h HIS 57 CO -0.00 0.04 -0.09 0.00 -3.07 0.00 0.00 177.93 174.80 1xkb h LEU 59 N 0.00 0.00 -2.74 0.00 3.38 -1.48 -2.66 115.31 111.81 1xkb h LEU 59 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xkb h LEU 59 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xkb h LEU 59 CO 0.01 0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.42 1xkb n TYR 60 N -3.40 0.97 -0.21 1.13 4.02 -1.07 -4.21 117.16 114.41 1xkb n TYR 60 Ca -0.01 -0.49 0.07 0.00 -0.01 0.00 0.00 57.90 57.45 1xkb n TYR 60 Cb 0.27 -0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.77 1xkb n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1xkb n GLN 61 N 1.66 2.82 -3.40 -0.72 6.02 -1.00 -4.87 117.38 117.88 1xkb n GLN 61 Ca 0.25 -2.18 0.02 0.00 -0.01 0.00 0.00 57.00 55.08 1xkb n GLN 61 Cb 0.62 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 1xkb n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xkb s ALA 61 N -1.00 -2.59 -0.16 -1.58 0.00 -1.26 -5.04 121.76 110.13 1xkb s ALA 61 Ca 0.29 2.03 0.29 0.00 0.00 0.00 0.00 51.96 54.57 1xkb s ALA 61 Cb 0.15 -2.05 1.03 0.00 0.00 0.00 0.00 23.12 22.25 1xkb s ALA 61 CO 0.20 -1.05 1.85 0.87 0.00 0.00 0.00 175.76 177.62 1xkb h LYS 62 N 7.73 0.00 -3.06 0.00 1.57 -1.89 -3.41 116.57 117.50 1xkb h LYS 62 Ca -0.17 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.30 1xkb h LYS 62 Cb 1.12 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.07 1xkb h LYS 62 CO 0.08 0.00 -0.65 1.03 -0.57 0.00 0.00 179.45 179.34 1xkb s ARG 63 N -3.47 0.04 0.12 3.15 3.00 -1.26 -5.12 118.95 115.40 1xkb s ARG 63 Ca 0.04 0.46 -0.07 0.00 0.00 0.00 0.00 55.73 56.16 1xkb s ARG 63 Cb 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 34.95 34.52 1xkb s ARG 63 CO 0.56 -0.37 0.18 -0.59 0.00 0.00 0.00 175.30 175.08 1xkb s PHE 64 N 2.27 0.37 0.19 -0.53 -0.71 -1.26 -2.49 117.98 115.82 1xkb s PHE 64 Ca 0.04 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.19 1xkb s PHE 64 Cb -0.13 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 1xkb s PHE 64 CO -0.06 -0.58 -0.04 0.15 -1.34 0.00 0.00 175.22 173.34 1xkb s LYS 65 N -3.93 1.22 -0.23 1.99 1.02 -0.89 -4.60 119.74 114.33 1xkb s LYS 65 Ca 0.12 -1.58 -0.05 0.00 0.02 0.00 0.00 55.97 54.48 1xkb s LYS 65 Cb 0.05 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 1xkb s LYS 65 CO -0.06 -0.03 -0.00 0.08 -0.92 0.00 0.00 175.35 174.42 1xkb s VAL 66 N -3.39 3.70 -0.09 3.17 1.01 0.52 -2.08 120.40 123.24 1xkb s VAL 66 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1xkb s VAL 66 Cb 0.04 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1xkb s VAL 66 CO 0.05 0.39 -0.03 -0.60 0.00 0.00 0.00 175.10 174.92 1xkb s ARG 67 N 1.51 2.99 0.29 2.72 3.52 -0.91 0.25 118.95 129.32 1xkb s ARG 67 Ca 0.06 -0.48 0.05 0.00 -0.13 0.00 0.00 55.73 55.23 1xkb s ARG 67 Cb -0.15 -2.73 -0.06 0.00 -1.56 0.00 0.00 34.95 30.45 1xkb s ARG 67 CO -0.01 0.63 0.00 0.14 -0.81 0.00 0.00 175.30 175.25 1xkb s VAL 68 N -0.68 1.34 0.00 7.11 -7.23 0.15 -2.09 120.40 118.99 1xkb s VAL 68 Ca 0.11 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1xkb s VAL 68 Cb -0.12 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1xkb s VAL 68 CO 0.02 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1xkb n GLY 69 N -0.60 1.93 3.77 2.32 0.00 -1.25 -0.25 105.19 111.10 1xkb n GLY 69 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1xkb n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xkb s ASP 70 N -3.34 6.66 0.00 1.61 -1.08 -1.26 -4.03 116.67 115.23 1xkb s ASP 70 Ca 0.00 2.48 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 1xkb s ASP 70 Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1xkb s ASP 70 CO 0.00 -0.59 0.00 0.54 0.52 0.00 0.00 175.17 175.64 1xkb n ARG 71 N 0.43 4.53 -3.51 4.34 1.74 -1.26 -4.90 116.66 118.03 1xkb n ARG 71 Ca 0.02 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.87 1xkb n ARG 71 Cb 0.44 -0.57 -0.14 0.00 -1.02 0.00 0.00 32.46 31.18 1xkb n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1xkb s ASN 72 N -0.40 2.44 0.08 0.55 3.84 -1.25 -1.06 114.94 119.15 1xkb s ASN 72 Ca 0.00 -0.83 0.05 0.00 0.21 0.00 0.00 52.86 52.29 1xkb s ASN 72 Cb 0.00 0.03 0.27 0.00 -0.55 0.00 0.00 41.25 41.01 1xkb s ASN 72 CO 0.00 -0.39 1.13 0.35 -2.79 0.00 0.00 177.10 175.40 1xkb n THR 73 N 5.28 1.65 0.83 -5.21 -2.24 0.46 -3.07 114.28 111.99 1xkb n THR 73 Ca -0.05 0.56 0.09 0.00 -2.27 0.00 0.00 64.05 62.38 1xkb n THR 73 Cb 0.46 -1.56 0.02 0.00 -2.10 0.00 0.00 70.33 67.14 1xkb n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xkb n GLU 74 N -1.66 1.55 -3.80 -0.78 0.28 -1.26 -4.99 120.64 109.99 1xkb n GLU 74 Ca -0.00 -1.08 -0.12 0.00 -0.16 0.00 0.00 57.16 55.80 1xkb n GLU 74 Cb 0.04 -1.37 -0.09 0.00 1.43 0.00 0.00 31.44 31.46 1xkb n GLU 74 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1xkb s GLN 75 N -2.03 0.67 -1.34 3.44 2.00 -1.17 -5.07 119.66 116.15 1xkb s GLN 75 Ca 0.17 -0.40 -0.10 0.00 -2.00 0.00 0.00 55.36 53.04 1xkb s GLN 75 Cb 0.15 0.29 0.12 0.00 0.80 0.00 0.00 33.01 34.37 1xkb s GLN 75 CO 0.42 -0.19 2.06 -1.91 -0.50 0.00 0.00 175.29 175.17 1xkb n GLU 76 N 1.03 3.54 -0.07 1.67 2.13 -1.26 -4.78 120.64 122.89 1xkb n GLU 76 Ca -0.21 -3.24 -0.11 0.00 0.66 0.00 0.00 57.16 54.26 1xkb n GLU 76 Cb 0.57 -2.98 -0.06 0.00 0.27 0.00 0.00 31.44 29.25 1xkb n GLU 76 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1xkb h GLU 77 N 5.66 -0.39 0.00 5.31 -0.00 -1.98 -3.48 114.58 119.70 1xkb h GLU 77 Ca 0.49 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.87 1xkb h GLU 77 Cb 0.58 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.42 1xkb h GLU 77 CO 1.69 -0.26 0.00 0.41 -0.00 0.00 0.00 179.01 180.84 1xkb n GLY 78 N -1.42 4.33 0.47 1.06 0.00 -1.26 -5.04 105.19 103.33 1xkb n GLY 78 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1xkb n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkb n GLY 79 N -1.75 0.87 3.38 -0.02 0.00 -1.26 -4.93 105.19 101.48 1xkb n GLY 79 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xkb n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xkb s GLU 80 N -0.77 2.90 -0.01 1.61 2.12 -1.26 -3.97 118.70 119.32 1xkb s GLU 80 Ca 0.00 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.62 1xkb s GLU 80 Cb 0.00 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.95 1xkb s GLU 80 CO 0.00 0.39 -0.11 0.00 -0.54 0.00 0.00 175.26 175.00 1xkb s ALA 81 N -0.12 0.94 -0.23 6.30 0.00 0.65 -4.92 121.76 124.37 1xkb s ALA 81 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1xkb s ALA 81 Cb -0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1xkb s ALA 81 CO 0.04 0.22 0.15 0.08 0.00 0.00 0.00 175.76 176.24 1xkb s VAL 82 N -0.20 5.31 -0.09 0.00 1.01 -1.26 0.30 120.40 125.47 1xkb s VAL 82 Ca 0.03 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1xkb s VAL 82 Cb -0.05 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xkb s VAL 82 CO -0.00 0.37 -0.16 -1.00 0.00 0.00 0.00 175.10 174.30 1xkb s HIS 83 N 0.93 2.70 0.53 5.22 3.76 0.68 -4.94 115.29 124.18 1xkb s HIS 83 Ca 0.07 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 1xkb s HIS 83 Cb -0.13 -1.74 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 1xkb s HIS 83 CO 0.03 -0.12 1.02 -1.21 -0.85 0.00 0.00 174.74 173.61 1xkb s GLU 84 N -0.03 3.71 -0.22 1.40 8.01 -1.26 -0.36 118.70 129.95 1xkb s GLU 84 Ca -0.04 1.13 -0.11 0.00 0.01 0.00 0.00 54.97 55.96 1xkb s GLU 84 Cb -0.14 -2.09 -0.05 0.00 -4.31 0.00 0.00 34.13 27.53 1xkb s GLU 84 CO 0.04 -0.48 0.16 0.08 0.01 0.00 0.00 175.26 175.07 1xkb s VAL 85 N -2.41 5.37 -0.05 2.63 1.01 -1.26 -2.19 120.40 123.49 1xkb s VAL 85 Ca 0.62 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1xkb s VAL 85 Cb -0.13 -3.50 -0.24 0.00 0.00 0.00 0.00 36.38 32.50 1xkb s VAL 85 CO 0.30 0.39 0.62 -0.08 0.00 0.00 0.00 175.10 176.33 1xkb h GLU 86 N 7.07 0.10 -2.48 2.72 4.81 -0.25 -3.44 114.58 123.10 1xkb h GLU 86 Ca -0.40 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 1xkb h GLU 86 Cb 1.16 0.06 -0.27 0.00 0.63 0.00 0.00 28.75 30.34 1xkb h GLU 86 CO 0.71 0.77 -0.33 0.08 -0.73 0.00 0.00 179.01 179.51 1xkb s VAL 87 N -2.59 -0.56 -0.24 0.32 1.01 -0.63 -4.99 120.40 112.70 1xkb s VAL 87 Ca -0.10 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1xkb s VAL 87 Cb 0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1xkb s VAL 87 CO 0.81 0.06 0.18 0.68 0.00 0.00 0.00 175.10 176.83 1xkb s VAL 88 N 2.42 5.34 -0.42 2.92 -7.23 -1.26 0.42 120.40 122.59 1xkb s VAL 88 Ca -0.03 0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 60.31 1xkb s VAL 88 Cb -0.11 -3.52 0.11 0.00 0.56 0.00 0.00 36.38 33.41 1xkb s VAL 88 CO -0.13 0.33 0.23 -0.63 -0.31 0.00 0.00 175.10 174.59 1xkb s ILE 89 N 1.15 3.59 -0.01 -0.62 1.01 0.11 -5.00 121.20 121.43 1xkb s ILE 89 Ca 0.08 -1.88 -0.07 0.00 0.00 0.00 0.00 60.65 58.78 1xkb s ILE 89 Cb -0.14 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1xkb s ILE 89 CO 0.05 -0.66 0.26 -0.75 0.00 0.00 0.00 174.94 173.84 1xkb s LYS 90 N 1.23 3.58 0.01 2.79 2.20 -1.26 -0.70 119.74 127.59 1xkb s LYS 90 Ca 0.06 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 1xkb s LYS 90 Cb -0.23 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 1xkb s LYS 90 CO -0.03 0.67 1.73 -1.58 -0.36 0.00 0.00 175.35 175.78 1xkb s HIS 91 N -1.24 1.95 0.66 4.03 5.65 -1.07 -4.86 115.29 120.41 1xkb s HIS 91 Ca 0.25 0.08 0.37 0.00 0.25 0.00 0.00 55.06 56.01 1xkb s HIS 91 Cb -0.13 -4.01 2.01 0.00 -1.18 0.00 0.00 32.58 29.26 1xkb s HIS 91 CO 0.14 -4.27 2.15 -2.95 -0.65 0.00 0.00 174.74 169.16 1xkb h ASN 92 N 9.40 0.00 -0.68 9.88 -1.07 -1.92 -1.74 115.58 129.44 1xkb h ASN 92 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.94 1xkb h ASN 92 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1xkb h ASN 92 CO 0.94 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.98 1xkb n ARG 93 N -3.07 2.79 -1.74 4.14 5.12 -1.26 -4.95 116.66 117.68 1xkb n ARG 93 Ca -0.02 -2.54 -0.42 0.00 -1.93 0.00 0.00 57.85 52.94 1xkb n ARG 93 Cb 0.23 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 1xkb n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1xkb s PHE 94 N -1.20 2.30 -0.33 -1.55 5.36 -0.66 -4.54 117.98 117.36 1xkb s PHE 94 Ca 0.47 0.08 -0.06 0.00 -0.96 0.00 0.00 56.93 56.46 1xkb s PHE 94 Cb 0.25 -4.15 0.04 0.00 -0.34 0.00 0.00 43.02 38.82 1xkb s PHE 94 CO 0.30 -4.66 0.09 0.99 -1.46 0.00 0.00 175.22 170.48 1xkb s THR 95 N 2.48 3.70 0.31 0.12 2.01 -0.31 -4.97 115.64 118.97 1xkb s THR 95 Ca 0.79 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 61.75 1xkb s THR 95 Cb -0.46 -3.07 0.30 0.00 0.01 0.00 0.00 72.50 69.29 1xkb s THR 95 CO 0.35 -0.13 1.80 0.11 -0.69 0.00 0.00 174.62 176.06 1xkb h LYS 96 N 8.19 0.77 -0.15 4.92 1.57 -1.93 1.23 116.57 131.18 1xkb h LYS 96 Ca -0.24 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1xkb h LYS 96 Cb 1.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1xkb h LYS 96 CO 0.59 0.51 0.03 1.49 -0.57 0.00 0.00 179.45 181.50 1xkb h GLU 97 N 0.80 0.25 0.00 3.15 4.57 -1.98 -3.33 114.58 118.04 1xkb h GLU 97 Ca 0.55 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1xkb h GLU 97 Cb 0.82 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1xkb h GLU 97 CO -0.34 0.42 -1.62 0.25 -1.18 0.00 0.00 179.01 176.55 1xkb n THR 98 N -4.80 0.00 -1.44 0.32 -2.24 -1.05 -4.98 114.28 100.09 1xkb n THR 98 Ca -0.05 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1xkb n THR 98 Cb 0.18 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1xkb n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xkb n TYR 99 N -1.97 -0.08 -2.32 4.78 4.02 0.42 -4.98 117.16 117.03 1xkb n TYR 99 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.50 1xkb n TYR 99 Cb 0.47 -2.08 -0.02 0.00 -0.02 0.00 0.00 39.34 37.69 1xkb n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xkb s ASP 100 N -2.83 6.50 -1.18 7.72 2.15 -1.22 -3.00 116.67 124.81 1xkb s ASP 100 Ca 0.00 2.30 -0.02 0.00 0.43 0.00 0.00 52.55 55.25 1xkb s ASP 100 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1xkb s ASP 100 CO 0.00 -0.69 1.00 0.49 -0.17 0.00 0.00 175.17 175.80 1xkb n PHE 101 N -0.02 -2.27 -2.87 -5.34 3.72 -1.26 -1.16 117.46 108.24 1xkb n PHE 101 Ca 0.05 0.91 -0.44 0.00 -0.05 0.00 0.00 57.45 57.92 1xkb n PHE 101 Cb 0.47 -4.90 0.00 0.00 -0.94 0.00 0.00 39.48 34.11 1xkb n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xkb n ASP 102 N -2.95 5.20 -3.69 4.37 2.03 -1.16 -3.92 116.55 116.43 1xkb n ASP 102 Ca -0.19 -2.99 -0.14 0.00 0.52 0.00 0.00 54.79 51.99 1xkb n ASP 102 Cb 0.63 -1.57 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 1xkb n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xkb s ILE 103 N 1.50 0.01 -0.13 5.18 2.07 -1.26 -4.26 121.20 124.31 1xkb s ILE 103 Ca 0.43 -0.08 -0.24 0.00 -1.41 0.00 0.00 60.65 59.35 1xkb s ILE 103 Cb -0.01 -0.72 0.06 0.00 0.13 0.00 0.00 42.46 41.92 1xkb s ILE 103 CO 0.00 -0.04 0.58 0.00 -1.91 0.00 0.00 174.94 173.58 1xkb s ALA 104 N -0.18 -1.48 -0.12 1.50 0.00 -0.77 -2.59 121.76 118.13 1xkb s ALA 104 Ca -0.04 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1xkb s ALA 104 Cb -0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1xkb s ALA 104 CO 0.02 -0.31 -0.19 0.08 0.00 0.00 0.00 175.76 175.36 1xkb s VAL 105 N -0.47 2.45 -0.19 0.00 1.01 0.12 -1.06 120.40 122.25 1xkb s VAL 105 Ca -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1xkb s VAL 105 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1xkb s VAL 105 CO 0.05 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.92 1xkb s LEU 106 N 0.40 3.26 -0.27 3.92 1.43 -0.23 0.05 118.68 127.25 1xkb s LEU 106 Ca -0.15 -0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1xkb s LEU 106 Cb -0.17 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1xkb s LEU 106 CO 0.07 0.09 0.41 -0.60 0.23 0.00 0.00 176.35 176.55 1xkb s ARG 107 N 0.84 4.03 0.39 1.70 3.52 0.17 -1.88 118.95 127.71 1xkb s ARG 107 Ca 0.00 0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.48 1xkb s ARG 107 Cb -0.14 -3.65 -0.09 0.00 -1.56 0.00 0.00 34.95 29.50 1xkb s ARG 107 CO 0.02 -0.29 1.04 -0.51 -0.81 0.00 0.00 175.30 174.74 1xkb s LEU 108 N 2.12 4.16 0.17 -0.88 1.02 0.83 0.44 118.68 126.54 1xkb s LEU 108 Ca 0.17 2.01 -0.07 0.00 0.02 0.00 0.00 54.13 56.25 1xkb s LEU 108 Cb -0.16 -4.17 0.04 0.00 0.02 0.00 0.00 46.19 41.93 1xkb s LEU 108 CO 0.10 -0.43 1.49 0.11 0.02 0.00 0.00 176.35 177.64 1xkb h LYS 109 N 2.57 0.75 -6.15 1.70 1.57 -1.74 -3.41 116.57 111.86 1xkb h LYS 109 Ca -0.48 -0.43 -0.69 0.00 -1.87 0.00 0.00 60.65 57.18 1xkb h LYS 109 Cb 1.21 0.03 -0.30 0.00 0.08 0.00 0.00 32.23 33.25 1xkb h LYS 109 CO 0.63 1.05 -0.87 -0.08 -0.57 0.00 0.00 179.45 179.61 1xkb s THR 110 N -4.20 2.22 0.41 -0.16 -1.32 -1.26 -5.00 115.64 106.33 1xkb s THR 110 Ca -0.09 -1.02 -0.26 0.00 -1.21 0.00 0.00 61.69 59.11 1xkb s THR 110 Cb 0.11 -1.81 -0.09 0.00 -1.51 0.00 0.00 72.50 69.20 1xkb s THR 110 CO 0.86 0.57 1.39 -2.16 -2.21 0.00 0.00 174.62 173.07 1xkb s PRO 111 N -0.30 3.91 0.42 7.08 0.04 -1.26 -4.86 135.00 140.03 1xkb s PRO 111 Ca 0.01 2.34 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 1xkb s PRO 111 Cb -0.13 -2.78 -0.11 0.00 0.04 0.00 0.00 34.50 31.52 1xkb s PRO 111 CO 0.02 -0.61 0.95 0.42 0.04 0.00 0.00 177.00 177.83 1xkb s ILE 112 N -1.20 4.36 -0.41 0.56 1.01 0.56 -4.99 121.20 121.08 1xkb s ILE 112 Ca 0.57 1.53 -0.04 0.00 0.00 0.00 0.00 60.65 62.71 1xkb s ILE 112 Cb -0.42 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.50 1xkb s ILE 112 CO 0.55 -0.26 0.21 0.42 0.00 0.00 0.00 174.94 175.86 1xkb s THR 113 N -2.11 3.49 -0.09 2.92 -4.23 -1.26 -4.73 115.64 109.63 1xkb s THR 113 Ca 0.61 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1xkb s THR 113 Cb -0.10 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 1xkb s THR 113 CO 0.14 -0.64 2.05 -0.36 -0.54 0.00 0.00 174.62 175.27 1xkb s PHE 114 N 1.21 1.28 0.00 3.99 0.08 -1.26 -4.96 117.98 118.32 1xkb s PHE 114 Ca 0.06 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1xkb s PHE 114 Cb -0.23 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.12 1xkb s PHE 114 CO -0.03 -4.79 0.00 2.89 -0.10 0.00 0.00 175.22 173.19 1xkb n ARG 115 N 8.05 0.76 -1.90 0.44 1.85 -0.66 -5.00 116.66 120.20 1xkb n ARG 115 Ca 0.24 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.68 1xkb n ARG 115 Cb 0.43 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.83 1xkb n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1xkb s MET 116 N -1.74 4.11 0.00 2.89 -2.45 -1.26 -1.31 119.30 119.54 1xkb s MET 116 Ca 0.00 2.43 0.00 0.00 -1.25 0.00 0.00 55.69 56.87 1xkb s MET 116 Cb 0.00 -2.94 0.00 0.00 1.25 0.00 0.00 34.83 33.14 1xkb s MET 116 CO 0.00 -0.47 0.00 0.09 1.05 0.00 0.00 175.02 175.69 1xkb n ASN 117 N 0.45 -2.75 -3.59 1.11 3.02 -1.26 -4.93 115.26 107.30 1xkb n ASN 117 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.27 1xkb n ASN 117 Cb 0.40 -1.72 -0.15 0.00 -0.61 0.00 0.00 39.78 37.71 1xkb n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xkb s VAL 118 N -1.88 0.23 0.22 2.41 1.01 -0.43 -4.23 120.40 117.74 1xkb s VAL 118 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1xkb s VAL 118 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1xkb s VAL 118 CO 0.00 -0.73 0.58 0.00 0.00 0.00 0.00 175.10 174.94 1xkb s ALA 119 N 1.87 -0.98 0.41 5.51 0.00 -1.09 -1.65 121.76 125.83 1xkb s ALA 119 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1xkb s ALA 119 Cb -0.17 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1xkb s ALA 119 CO -0.31 -0.87 0.58 -1.25 0.00 0.00 0.00 175.76 173.91 1xkb s PRO 120 N -3.90 2.98 0.03 0.00 0.04 -1.26 -2.29 135.00 130.60 1xkb s PRO 120 Ca 0.11 -0.87 0.02 0.00 0.04 0.00 0.00 61.00 60.29 1xkb s PRO 120 Cb -0.02 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1xkb s PRO 120 CO 0.01 -0.19 0.05 0.00 0.04 0.00 0.00 177.00 176.91 1xkb s ALA 121 N -2.39 3.48 0.48 8.56 0.00 -0.96 -4.81 121.76 126.12 1xkb s ALA 121 Ca 0.49 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 1xkb s ALA 121 Cb -0.10 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.49 1xkb s ALA 121 CO 0.34 0.70 1.00 0.00 0.00 0.00 0.00 175.76 177.81 1xkb s LEU 123 N -3.52 4.00 0.00 0.00 1.43 -1.26 -0.95 118.68 118.38 1xkb s LEU 123 Ca 0.64 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1xkb s LEU 123 Cb -0.13 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.24 1xkb s LEU 123 CO 0.20 0.21 1.04 -0.81 0.23 0.00 0.00 176.35 177.23 1xkb n PRO 124 N 3.28 -0.36 -3.23 1.29 -0.04 -1.26 -4.98 135.00 129.70 1xkb n PRO 124 Ca -0.17 -2.49 -0.39 0.00 -0.04 0.00 0.00 63.50 60.41 1xkb n PRO 124 Cb 0.52 -0.80 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 1xkb n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xkb s GLU 124 N -5.21 4.26 0.00 0.54 2.02 -1.26 -4.96 118.70 114.08 1xkb s GLU 124 Ca 0.66 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.45 1xkb s GLU 124 Cb -0.03 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1xkb s GLU 124 CO 0.45 0.61 0.70 -2.13 0.02 0.00 0.00 175.26 174.91 1xkb n ARG 125 N 1.77 0.00 -0.16 1.61 0.63 -1.26 -0.50 116.66 118.75 1xkb n ARG 125 Ca -0.09 0.61 -0.09 0.00 -0.92 0.00 0.00 57.85 57.36 1xkb n ARG 125 Cb 0.50 -1.20 -0.04 0.00 0.45 0.00 0.00 32.46 32.18 1xkb n ARG 125 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1xkb h ASP 126 N 0.00 -1.40 -0.51 6.15 3.32 -1.95 0.16 116.42 122.19 1xkb h ASP 126 Ca 0.00 0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.34 1xkb h ASP 126 Cb 0.00 0.63 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1xkb h ASP 126 CO 0.00 -0.35 0.19 -0.25 -1.72 0.00 0.00 179.24 177.11 1xkb h TRP 127 N -0.27 0.34 -0.01 4.55 7.01 -1.97 0.14 115.95 125.73 1xkb h TRP 127 Ca 0.16 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1xkb h TRP 127 Cb 0.57 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1xkb h TRP 127 CO -0.65 0.11 -0.06 0.00 -2.79 0.00 0.00 178.44 175.05 1xkb h ALA 128 N 1.34 -0.06 -0.97 2.65 0.00 0.32 1.02 119.26 123.56 1xkb h ALA 128 Ca 0.25 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1xkb h ALA 128 Cb 0.26 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1xkb h ALA 128 CO -0.24 -0.55 0.63 0.93 0.00 0.00 0.00 179.25 180.01 1xkb h GLU 129 N -0.11 1.15 0.05 0.00 5.08 -0.02 0.26 114.58 120.99 1xkb h GLU 129 Ca 0.03 -0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 1xkb h GLU 129 Cb 0.15 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1xkb h GLU 129 CO -0.08 0.76 -1.54 0.66 -1.00 0.00 0.00 179.01 177.81 1xkb h SER 130 N 1.19 0.17 0.00 1.42 4.64 -0.32 -3.34 113.55 117.31 1xkb h SER 130 Ca 0.40 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1xkb h SER 130 Cb 0.08 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xkb h SER 130 CO -0.15 1.23 -1.48 0.41 -0.87 0.00 0.00 176.83 175.97 1xkb n THR 131 N -3.28 0.08 -0.06 2.95 -1.04 0.35 -4.51 114.28 108.77 1xkb n THR 131 Ca -0.15 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 61.55 1xkb n THR 131 Cb 1.03 0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 69.66 1xkb n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xkb n LEU 131 N -1.91 1.49 0.33 -4.42 4.32 0.65 -4.29 117.00 113.16 1xkb n LEU 131 Ca -0.04 0.25 0.14 0.00 -0.02 0.00 0.00 56.01 56.34 1xkb n LEU 131 Cb 0.33 -0.63 0.76 0.00 -1.62 0.00 0.00 43.42 42.27 1xkb n LEU 131 CO 0.21 -0.38 1.10 0.24 -1.22 0.00 0.00 177.39 177.34 1xkb h MET 131 N -0.69 0.00 -0.01 3.23 2.86 -0.96 0.18 114.93 119.55 1xkb h MET 131 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xkb h MET 131 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1xkb h MET 131 CO 0.00 0.00 -0.22 0.25 1.06 0.00 0.00 176.91 178.00 1xkb n THR 132 N -2.82 0.00 -2.02 2.22 -2.24 -1.25 -4.92 114.28 103.24 1xkb n THR 132 Ca -0.02 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1xkb n THR 132 Cb 0.39 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1xkb n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xkb s GLN 133 N -2.42 3.33 0.21 -0.78 -0.21 0.63 -4.97 119.66 115.45 1xkb s GLN 133 Ca 0.26 1.16 -0.09 0.00 0.02 0.00 0.00 55.36 56.71 1xkb s GLN 133 Cb 0.19 -2.04 0.14 0.00 1.00 0.00 0.00 33.01 32.31 1xkb s GLN 133 CO 0.49 -0.80 1.77 -0.22 -2.12 0.00 0.00 175.29 174.41 1xkb h LYS 134 N 0.35 1.13 -4.71 2.91 3.64 -1.91 -3.42 116.57 114.56 1xkb h LYS 134 Ca -0.46 -0.20 -0.27 0.00 -1.27 0.00 0.00 60.65 58.44 1xkb h LYS 134 Cb 1.22 -0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 32.70 1xkb h LYS 134 CO 0.58 0.92 -0.64 0.95 -2.27 0.00 0.00 179.45 178.98 1xkb s THR 135 N -5.57 0.44 0.36 1.00 -4.23 -1.26 -0.99 115.64 105.40 1xkb s THR 135 Ca -0.12 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1xkb s THR 135 Cb 0.15 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 1xkb s THR 135 CO 0.83 -0.31 0.24 0.61 -0.54 0.00 0.00 174.62 175.46 1xkb n GLY 136 N -0.26 2.99 3.01 3.99 0.00 -0.11 -4.80 105.19 110.00 1xkb n GLY 136 Ca -0.04 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 1xkb n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkb s ILE 137 N -3.30 1.06 0.11 -0.61 1.01 0.34 -0.87 121.20 118.94 1xkb s ILE 137 Ca 0.35 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1xkb s ILE 137 Cb 0.02 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1xkb s ILE 137 CO 0.24 0.34 -0.18 0.54 0.00 0.00 0.00 174.94 175.88 1xkb s VAL 138 N 0.67 2.82 0.13 2.92 0.11 -0.20 -0.88 120.40 125.97 1xkb s VAL 138 Ca -0.14 -1.47 -0.04 0.00 -2.93 0.00 0.00 61.98 57.40 1xkb s VAL 138 Cb -0.15 -2.28 -0.03 0.00 -1.53 0.00 0.00 36.38 32.39 1xkb s VAL 138 CO 0.03 0.13 0.14 -0.94 -3.33 0.00 0.00 175.10 171.13 1xkb s SER 139 N -2.05 0.22 0.00 3.54 1.04 -1.18 -0.06 113.70 115.21 1xkb s SER 139 Ca 0.17 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1xkb s SER 139 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1xkb s SER 139 CO 0.09 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1xkb n GLY 140 N -0.12 1.76 1.70 7.32 0.00 -0.34 -4.38 105.19 111.13 1xkb n GLY 140 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1xkb n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xkb n PHE 141 N -0.76 1.98 -0.97 1.61 3.72 -1.26 -2.32 117.46 119.46 1xkb n PHE 141 Ca 0.00 -1.06 -0.08 0.00 -0.05 0.00 0.00 57.45 56.26 1xkb n PHE 141 Cb 0.00 -0.56 0.06 0.00 -0.94 0.00 0.00 39.48 38.04 1xkb n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkb n GLY 142 N -0.12 -1.85 3.68 1.37 0.00 -1.26 -2.46 105.19 104.56 1xkb n GLY 142 Ca 0.34 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1xkb n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkb n ARG 143 N -2.10 1.83 -0.08 1.61 1.74 0.67 -0.99 116.66 119.34 1xkb n ARG 143 Ca 0.04 0.65 0.12 0.00 -0.77 0.00 0.00 57.85 57.89 1xkb n ARG 143 Cb 0.16 -2.31 0.32 0.00 -1.02 0.00 0.00 32.46 29.61 1xkb n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xkb n THR 144 N -0.22 0.20 -3.59 0.55 -2.24 -0.83 -1.64 114.28 106.51 1xkb n THR 144 Ca 0.07 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1xkb n THR 144 Cb 0.39 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1xkb n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1xkb s HIS 145 N -1.80 -0.34 0.49 4.78 5.65 -1.26 -4.34 115.29 118.46 1xkb s HIS 145 Ca 0.34 0.61 0.32 0.00 0.25 0.00 0.00 55.06 56.59 1xkb s HIS 145 Cb 0.20 0.45 1.43 0.00 -1.18 0.00 0.00 32.58 33.48 1xkb s HIS 145 CO 0.30 -0.30 1.73 1.49 -0.65 0.00 0.00 174.74 177.31 1xkb h GLU 146 N 2.65 0.12 0.00 2.88 4.81 -1.90 -1.28 114.58 121.85 1xkb h GLU 146 Ca -0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1xkb h GLU 146 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1xkb h GLU 146 CO 0.28 0.08 -0.32 1.63 -0.73 0.00 0.00 179.01 179.95 1xkb n LYS 147 N -4.37 4.96 0.00 1.92 4.01 -1.26 -4.89 118.16 118.53 1xkb n LYS 147 Ca 0.30 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1xkb n LYS 147 Cb 1.28 -0.74 0.00 0.00 -0.51 0.00 0.00 35.03 35.06 1xkb n LYS 147 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xkb n GLY 149 N 1.25 -2.66 3.92 0.72 0.00 -0.48 -5.05 105.19 102.88 1xkb n GLY 149 Ca 0.01 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1xkb n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xkb s ARG 150 N -2.81 3.56 0.11 1.61 3.52 -1.26 -4.74 118.95 118.93 1xkb s ARG 150 Ca 0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1xkb s ARG 150 Cb 0.00 -2.59 -0.06 0.00 -1.56 0.00 0.00 34.95 30.74 1xkb s ARG 150 CO 0.00 0.10 1.17 -0.65 -0.81 0.00 0.00 175.30 175.11 1xkb s GLN 151 N -4.08 4.48 0.54 5.12 -0.21 -1.26 -1.96 119.66 122.29 1xkb s GLN 151 Ca 0.43 1.77 -0.21 0.00 0.02 0.00 0.00 55.36 57.38 1xkb s GLN 151 Cb -0.10 -3.32 -0.06 0.00 1.00 0.00 0.00 33.01 30.53 1xkb s GLN 151 CO 0.35 -0.16 1.08 0.45 -2.12 0.00 0.00 175.29 174.89 1xkb n SER 152 N 3.36 1.39 -0.06 5.90 2.88 -0.16 -4.89 113.62 122.04 1xkb n SER 152 Ca 0.07 0.91 -0.17 0.00 -1.33 0.00 0.00 58.87 58.34 1xkb n SER 152 Cb 0.46 -1.43 -0.13 0.00 -0.75 0.00 0.00 64.21 62.36 1xkb n SER 152 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xkb n THR 153 N -1.23 1.62 -3.69 2.46 -2.24 -1.26 -4.70 114.28 105.23 1xkb n THR 153 Ca 0.12 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.94 1xkb n THR 153 Cb 0.45 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.24 1xkb n THR 153 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xkb s ARG 154 N -2.54 3.54 -0.03 -0.78 3.52 -1.26 0.17 118.95 121.58 1xkb s ARG 154 Ca -0.23 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1xkb s ARG 154 Cb 0.08 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1xkb s ARG 154 CO 0.72 0.42 1.26 -1.17 -0.81 0.00 0.00 175.30 175.73 1xkb s LEU 155 N -3.11 4.29 0.21 -0.88 2.96 -0.22 -4.75 118.68 117.18 1xkb s LEU 155 Ca 0.39 1.92 0.08 0.00 -0.22 0.00 0.00 54.13 56.30 1xkb s LEU 155 Cb -0.11 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1xkb s LEU 155 CO 0.28 -0.62 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.12 1xkb s LYS 156 N 2.20 2.28 0.20 1.98 -0.14 -0.98 -1.02 119.74 124.26 1xkb s LYS 156 Ca 0.58 -1.26 0.03 0.00 -1.36 0.00 0.00 55.97 53.96 1xkb s LYS 156 Cb -0.27 -2.24 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1xkb s LYS 156 CO 0.24 0.42 -0.00 0.00 -0.76 0.00 0.00 175.35 175.24 1xkb s MET 157 N -3.17 1.23 -0.29 1.68 0.23 0.94 -1.20 119.30 118.71 1xkb s MET 157 Ca 0.28 -1.61 -0.14 0.00 -1.03 0.00 0.00 55.69 53.20 1xkb s MET 157 Cb -0.08 -0.44 0.10 0.00 -1.53 0.00 0.00 34.83 32.88 1xkb s MET 157 CO 0.18 -0.11 0.71 -1.17 -2.03 0.00 0.00 175.02 172.59 1xkb s LEU 158 N -3.24 -0.98 -0.39 0.18 0.20 0.92 -2.28 118.68 113.09 1xkb s LEU 158 Ca 0.26 1.47 -0.27 0.00 0.69 0.00 0.00 54.13 56.28 1xkb s LEU 158 Cb 0.06 2.29 0.02 0.00 -0.43 0.00 0.00 46.19 48.13 1xkb s LEU 158 CO 0.06 -0.22 1.00 -0.70 -0.29 0.00 0.00 176.35 176.21 1xkb s GLU 159 N 2.09 3.82 -0.17 1.98 2.12 -1.26 -1.03 118.70 126.26 1xkb s GLU 159 Ca -0.08 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 55.86 1xkb s GLU 159 Cb -0.07 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1xkb s GLU 159 CO -0.19 -1.07 -0.11 0.14 -0.54 0.00 0.00 175.26 173.49 1xkb s VAL 160 N 3.76 3.08 0.24 3.70 -7.23 -0.05 -4.92 120.40 118.99 1xkb s VAL 160 Ca 0.42 -0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 1xkb s VAL 160 Cb -0.11 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 1xkb s VAL 160 CO 0.22 0.49 1.38 -2.84 -0.31 0.00 0.00 175.10 174.04 1xkb s PRO 161 N 0.82 4.32 0.55 4.82 0.02 -1.26 -0.93 135.00 143.33 1xkb s PRO 161 Ca -0.04 2.20 -0.21 0.00 0.02 0.00 0.00 61.00 62.98 1xkb s PRO 161 Cb -0.15 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 1xkb s PRO 161 CO 0.01 -0.33 1.26 0.71 -0.33 0.00 0.00 177.00 178.32 1xkb s TYR 162 N -0.13 2.44 -0.12 6.54 2.02 -0.16 -1.56 117.35 126.37 1xkb s TYR 162 Ca 0.57 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.76 1xkb s TYR 162 Cb -0.40 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.57 1xkb s TYR 162 CO 0.43 -2.37 -0.21 0.08 -1.57 0.00 0.00 175.55 171.91 1xkb s VAL 163 N -1.45 2.25 0.20 0.71 1.01 0.70 -4.85 120.40 118.97 1xkb s VAL 163 Ca 0.72 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 1xkb s VAL 163 Cb -0.34 -1.89 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 1xkb s VAL 163 CO 0.40 0.55 1.48 -0.90 0.00 0.00 0.00 175.10 176.62 1xkb n ASP 164 N 3.76 2.89 -0.40 3.32 5.75 -1.26 -4.32 116.55 126.29 1xkb n ASP 164 Ca -0.19 1.12 0.35 0.00 -0.01 0.00 0.00 54.79 56.06 1xkb n ASP 164 Cb 0.52 -1.43 0.62 0.00 -1.03 0.00 0.00 41.12 39.81 1xkb n ASP 164 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1xkb h ARG 165 N 4.94 0.06 0.11 0.11 2.43 -1.98 -1.05 114.38 118.99 1xkb h ARG 165 Ca -0.45 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1xkb h ARG 165 Cb 1.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1xkb h ARG 165 CO 0.81 0.04 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.35 1xkb h ASN 166 N 0.06 -0.12 -0.66 -3.80 2.35 -2.00 -2.45 115.58 108.96 1xkb h ASN 166 Ca 0.84 -0.34 0.06 0.00 -0.55 0.00 0.00 56.30 56.30 1xkb h ASN 166 Cb 2.46 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 40.82 1xkb h ASN 166 CO -0.56 0.30 0.44 0.28 -1.65 0.00 0.00 177.43 176.24 1xkb h SER 167 N -0.57 0.60 -0.52 5.81 0.02 -1.58 -0.90 113.55 116.42 1xkb h SER 167 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1xkb h SER 167 Cb 0.46 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1xkb h SER 167 CO 0.02 0.40 0.30 0.00 -1.14 0.00 0.00 176.83 176.41 1xkb h LYS 169 N 0.69 0.68 -0.79 0.00 1.79 -0.70 -1.06 116.57 117.18 1xkb h LYS 169 Ca 0.18 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1xkb h LYS 169 Cb 0.01 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1xkb h LYS 169 CO -0.03 0.54 0.52 -0.07 -1.08 0.00 0.00 179.45 179.32 1xkb h LEU 170 N 0.64 0.88 -0.08 2.94 -0.00 -1.04 -2.90 115.31 115.75 1xkb h LEU 170 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1xkb h LEU 170 Cb 0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1xkb h LEU 170 CO -0.03 0.62 0.00 0.77 -0.00 0.00 0.00 178.44 179.80 1xkb h SER 171 N 1.03 0.00 -3.40 -0.43 4.64 -1.05 -3.46 113.55 110.89 1xkb h SER 171 Ca 0.30 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.04 1xkb h SER 171 Cb -0.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 61.94 1xkb h SER 171 CO -0.09 0.00 0.05 -0.55 -0.87 0.00 0.00 176.83 175.37 1xkb s SER 172 N -6.03 6.72 0.02 4.97 0.15 -0.43 -4.78 113.70 114.33 1xkb s SER 172 Ca 0.07 0.87 0.22 0.00 0.70 0.00 0.00 55.95 57.81 1xkb s SER 172 Cb 0.06 -2.34 0.94 0.00 -1.71 0.00 0.00 66.02 62.96 1xkb s SER 172 CO 0.66 -0.18 1.71 -1.20 1.20 0.00 0.00 173.24 175.42 1xkb n SER 173 N 4.54 0.06 -4.34 5.45 7.64 -1.26 -4.75 113.62 120.96 1xkb n SER 173 Ca -0.03 0.51 -0.20 0.00 1.01 0.00 0.00 58.87 60.16 1xkb n SER 173 Cb 0.50 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1xkb n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xkb s PHE 174 N -3.02 1.78 0.40 1.43 0.08 -1.26 -5.12 117.98 112.27 1xkb s PHE 174 Ca 0.10 -0.51 -0.27 0.00 0.12 0.00 0.00 56.93 56.37 1xkb s PHE 174 Cb 0.14 -0.85 -0.10 0.00 -0.57 0.00 0.00 43.02 41.64 1xkb s PHE 174 CO 0.41 0.35 1.47 -1.50 -0.10 0.00 0.00 175.22 175.86 1xkb s ILE 175 N -2.46 2.03 -0.41 0.64 2.07 -1.26 -4.99 121.20 116.81 1xkb s ILE 175 Ca 0.19 0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.49 1xkb s ILE 175 Cb -0.04 -3.02 0.11 0.00 0.13 0.00 0.00 42.46 39.65 1xkb s ILE 175 CO 0.07 0.01 0.14 -0.63 -1.91 0.00 0.00 174.94 172.62 1xkb s ILE 176 N -1.15 2.26 0.95 2.00 -1.09 -1.26 -5.07 121.20 117.85 1xkb s ILE 176 Ca 0.56 -2.67 -0.13 0.00 -2.23 0.00 0.00 60.65 56.18 1xkb s ILE 176 Cb -0.46 -2.63 0.16 0.00 -1.58 0.00 0.00 42.46 37.95 1xkb s ILE 176 CO 0.61 -0.70 1.13 0.42 -1.23 0.00 0.00 174.94 175.18 1xkb s THR 177 N 0.46 1.98 -0.95 2.92 -4.23 -1.26 -4.92 115.64 109.64 1xkb s THR 177 Ca 0.14 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.80 1xkb s THR 177 Cb -0.22 -2.69 0.13 0.00 1.34 0.00 0.00 72.50 71.06 1xkb s THR 177 CO -0.06 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.51 1xkb n GLN 178 N -3.90 0.02 -0.43 3.99 1.13 -1.26 -1.43 117.38 115.50 1xkb n GLN 178 Ca 0.07 0.27 0.04 0.00 -1.94 0.00 0.00 57.00 55.43 1xkb n GLN 178 Cb 0.59 -1.53 0.20 0.00 0.11 0.00 0.00 30.24 29.60 1xkb n GLN 178 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xkb n ASN 179 N -1.57 3.25 -4.16 1.08 3.02 -1.26 -4.81 115.26 110.82 1xkb n ASN 179 Ca 0.03 -2.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.05 1xkb n ASN 179 Cb 0.18 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 1xkb n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xkb s MET 180 N -1.85 0.94 -0.01 3.52 -1.94 -0.51 -1.93 119.30 117.52 1xkb s MET 180 Ca 0.27 -1.45 -0.29 0.00 -1.71 0.00 0.00 55.69 52.51 1xkb s MET 180 Cb 0.20 0.16 0.10 0.00 2.01 0.00 0.00 34.83 37.30 1xkb s MET 180 CO 0.08 -0.23 0.94 -0.59 -0.01 0.00 0.00 175.02 175.21 1xkb s PHE 181 N -3.98 -0.29 0.07 -0.03 -0.12 -0.97 -4.69 117.98 107.97 1xkb s PHE 181 Ca 0.23 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1xkb s PHE 181 Cb 0.07 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1xkb s PHE 181 CO 0.02 -0.53 -0.05 0.00 -0.05 0.00 0.00 175.22 174.61 1xkb s ALA 183 N -3.75 0.33 0.00 0.00 0.00 -0.89 -0.21 121.76 117.23 1xkb s ALA 183 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1xkb s ALA 183 Cb 0.07 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.13 1xkb s ALA 183 CO -0.08 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1xkb n GLY 184 N -0.21 0.64 3.29 0.00 0.00 -0.60 -1.26 105.19 107.06 1xkb n GLY 184 Ca -0.05 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 1xkb n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xkb s TYR 185 N -2.18 1.61 -0.01 1.61 1.51 -1.26 -4.12 117.35 114.50 1xkb s TYR 185 Ca 0.00 -0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 55.28 1xkb s TYR 185 Cb 0.00 -0.81 -0.18 0.00 -0.11 0.00 0.00 41.96 40.86 1xkb s TYR 185 CO 0.00 0.25 1.22 0.22 -1.11 0.00 0.00 175.55 176.13 1xkb h ASP 185 N 3.23 -0.14 0.00 2.29 1.82 -1.89 -3.42 116.42 118.32 1xkb h ASP 185 Ca -0.40 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 1xkb h ASP 185 Cb 1.20 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1xkb h ASP 185 CO 0.53 0.29 -0.89 0.35 -1.61 0.00 0.00 179.24 177.91 1xkb n THR 185 N -4.97 0.00 -1.61 2.25 -2.24 -1.26 0.17 114.28 106.63 1xkb n THR 185 Ca -0.09 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 1xkb n THR 185 Cb 0.24 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1xkb n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xkb n LYS 186 N -1.67 1.46 -1.65 -0.78 4.81 -1.26 -4.79 118.16 114.29 1xkb n LYS 186 Ca 0.00 0.51 -0.34 0.00 -0.87 0.00 0.00 58.31 57.62 1xkb n LYS 186 Cb 0.29 -1.94 -0.04 0.00 0.02 0.00 0.00 35.03 33.36 1xkb n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xkb n GLN 187 N 0.90 3.62 -4.29 1.64 6.02 -1.26 -4.70 117.38 119.31 1xkb n GLN 187 Ca 0.10 -2.71 -0.21 0.00 -0.01 0.00 0.00 57.00 54.16 1xkb n GLN 187 Cb 0.32 -2.47 -0.16 0.00 1.02 0.00 0.00 30.24 28.95 1xkb n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1xkb s GLU 188 N -0.55 1.10 -0.26 -1.09 2.02 -1.25 -4.18 118.70 114.48 1xkb s GLU 188 Ca 0.59 -0.20 -0.32 0.00 0.02 0.00 0.00 54.97 55.07 1xkb s GLU 188 Cb 0.25 -1.01 0.17 0.00 0.10 0.00 0.00 34.13 33.64 1xkb s GLU 188 CO -0.11 -0.05 1.31 0.34 0.02 0.00 0.00 175.26 176.76 1xkb s ASP 189 N 0.85 -0.08 1.04 -0.19 2.15 -0.38 -4.34 116.67 115.72 1xkb s ASP 189 Ca -0.12 0.06 -0.13 0.00 0.43 0.00 0.00 52.55 52.80 1xkb s ASP 189 Cb -0.15 0.07 0.21 0.00 -0.30 0.00 0.00 42.92 42.75 1xkb s ASP 189 CO 0.01 -0.09 1.08 0.00 -0.17 0.00 0.00 175.17 176.01 1xkb s ALA 190 N -1.39 0.65 0.14 3.66 0.00 -1.26 0.12 121.76 123.68 1xkb s ALA 190 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1xkb s ALA 190 Cb -0.01 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1xkb s ALA 190 CO -0.06 -3.06 0.22 0.00 0.00 0.00 0.00 175.76 172.86 1xkb n GLN 192 N -0.22 1.99 0.00 0.00 6.02 -1.26 -1.70 117.38 122.22 1xkb n GLN 192 Ca -0.01 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1xkb n GLN 192 Cb 0.22 -2.37 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1xkb n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xkb n GLY 193 N 2.21 2.58 0.38 1.08 0.00 -1.26 -0.24 105.19 109.94 1xkb n GLY 193 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1xkb n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xkb n ASP 194 N 0.00 1.55 -4.74 1.61 8.00 -0.69 -4.01 116.55 118.27 1xkb n ASP 194 Ca 0.00 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 1xkb n ASP 194 Cb 0.00 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1xkb n ASP 194 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xkb s SER 195 N -2.48 6.36 0.00 -2.24 0.01 -1.26 -0.53 113.70 113.56 1xkb s SER 195 Ca 0.22 2.93 0.00 0.00 1.31 0.00 0.00 55.95 60.41 1xkb s SER 195 Cb 0.19 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1xkb s SER 195 CO 0.54 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1xkb n GLY 196 N 3.00 3.09 3.31 3.44 0.00 0.18 -0.67 105.19 117.53 1xkb n GLY 196 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1xkb n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkb n GLY 197 N -0.80 -2.41 3.82 -0.02 0.00 0.31 -3.74 105.19 102.36 1xkb n GLY 197 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1xkb n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xkb s PRO 198 N -3.41 3.76 -0.23 1.61 0.04 -1.26 -1.45 135.00 134.06 1xkb s PRO 198 Ca 0.55 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1xkb s PRO 198 Cb -0.15 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.39 1xkb s PRO 198 CO 0.67 -0.43 0.23 -1.58 0.04 0.00 0.00 177.00 175.93 1xkb s HIS 199 N -2.47 -0.25 0.14 0.56 2.46 -0.96 -3.09 115.29 111.69 1xkb s HIS 199 Ca 0.61 -0.01 0.10 0.00 0.47 0.00 0.00 55.06 56.23 1xkb s HIS 199 Cb -0.12 -0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 31.83 1xkb s HIS 199 CO 0.30 -0.71 -0.23 0.14 -2.47 0.00 0.00 174.74 171.78 1xkb s VAL 200 N 2.31 2.50 -0.05 0.89 -7.23 -0.06 -0.30 120.40 118.46 1xkb s VAL 200 Ca 0.08 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1xkb s VAL 200 Cb -0.15 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1xkb s VAL 200 CO -0.20 0.04 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.53 1xkb s THR 201 N -1.25 2.46 -0.05 5.32 2.01 -0.52 -0.50 115.64 123.11 1xkb s THR 201 Ca 0.17 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 1xkb s THR 201 Cb -0.10 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1xkb s THR 201 CO 0.09 0.58 0.31 -0.60 -0.69 0.00 0.00 174.62 174.30 1xkb s ARG 202 N -0.44 3.78 -0.15 4.92 3.52 -1.26 -2.17 118.95 127.15 1xkb s ARG 202 Ca 0.05 0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1xkb s ARG 202 Cb -0.12 -3.22 0.07 0.00 -1.56 0.00 0.00 34.95 30.12 1xkb s ARG 202 CO 0.01 0.69 0.18 0.12 -0.81 0.00 0.00 175.30 175.49 1xkb s PHE 203 N -0.96 -0.16 -1.33 5.12 5.36 -0.03 -4.89 117.98 121.09 1xkb s PHE 203 Ca 0.20 0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.41 1xkb s PHE 203 Cb -0.15 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.17 1xkb s PHE 203 CO 0.10 -0.46 0.98 1.63 -1.46 0.00 0.00 175.22 176.01 1xkb n LYS 204 N 5.31 -6.39 -0.41 10.12 5.02 -1.26 -2.28 118.16 128.28 1xkb n LYS 204 Ca -0.05 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1xkb n LYS 204 Cb 0.50 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 1xkb n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xkb n ASP 205 N -3.03 0.00 -4.76 4.39 8.00 -1.26 -5.01 116.55 114.88 1xkb n ASP 205 Ca -0.15 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 1xkb n ASP 205 Cb 0.62 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1xkb n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xkb s THR 206 N -3.17 4.50 -0.16 -3.53 2.01 -0.97 -5.11 115.64 109.21 1xkb s THR 206 Ca 0.00 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1xkb s THR 206 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1xkb s THR 206 CO 0.00 0.22 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.74 1xkb s TYR 207 N -1.29 2.87 0.03 4.92 1.51 -1.26 -0.85 117.35 123.28 1xkb s TYR 207 Ca 0.26 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 1xkb s TYR 207 Cb -0.12 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1xkb s TYR 207 CO 0.18 -0.34 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.11 1xkb s PHE 208 N 0.76 2.76 -0.48 2.71 0.40 -0.92 -1.24 117.98 121.98 1xkb s PHE 208 Ca -0.04 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1xkb s PHE 208 Cb -0.15 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1xkb s PHE 208 CO 0.01 0.34 1.30 0.54 0.70 0.00 0.00 175.22 178.11 1xkb s VAL 209 N -1.00 4.00 -1.40 -0.44 0.11 -0.12 -1.44 120.40 120.10 1xkb s VAL 209 Ca 0.17 0.99 0.21 0.00 -2.93 0.00 0.00 61.98 60.41 1xkb s VAL 209 Cb -0.11 -4.43 -0.13 0.00 -1.53 0.00 0.00 36.38 30.18 1xkb s VAL 209 CO 0.08 -0.97 0.96 0.35 -3.33 0.00 0.00 175.10 172.18 1xkb n THR 210 N 6.94 0.00 -3.69 5.04 -2.24 0.59 -4.72 114.28 116.20 1xkb n THR 210 Ca 0.14 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1xkb n THR 210 Cb 0.49 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1xkb n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xkb s GLY 211 N -2.72 -0.32 -0.06 3.38 0.00 -0.57 -3.60 107.32 103.43 1xkb s GLY 211 Ca 0.12 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.28 1xkb s GLY 211 CO 0.72 0.31 -0.14 -0.42 0.00 0.00 0.00 173.10 173.57 1xkb s ILE 212 N -2.74 1.22 -0.04 0.90 1.01 -1.13 -2.26 121.20 118.17 1xkb s ILE 212 Ca 0.14 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1xkb s ILE 212 Cb 0.02 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.32 1xkb s ILE 212 CO -0.01 0.37 1.98 -0.69 0.00 0.00 0.00 174.94 176.59 1xkb s VAL 213 N 0.48 3.10 -0.01 2.92 1.01 -0.52 -0.87 120.40 126.50 1xkb s VAL 213 Ca -0.12 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1xkb s VAL 213 Cb -0.14 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1xkb s VAL 213 CO 0.03 -0.02 -0.03 -0.24 0.00 0.00 0.00 175.10 174.84 1xkb n SER 214 N 8.45 0.16 -2.62 3.32 2.88 0.05 0.49 113.62 126.35 1xkb n SER 214 Ca 0.22 0.03 -0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1xkb n SER 214 Cb 0.42 -0.48 0.02 0.00 -0.75 0.00 0.00 64.21 63.42 1xkb n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xkb n TRP 215 N -2.66 -1.74 -3.61 0.66 4.27 -0.59 -4.83 117.44 108.95 1xkb n TRP 215 Ca -0.01 -1.31 0.01 0.00 -3.89 0.00 0.00 57.50 52.30 1xkb n TRP 215 Cb 0.04 0.65 -0.01 0.00 -1.36 0.00 0.00 31.31 30.63 1xkb n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1xkb s GLY 216 N -2.87 -0.40 -0.53 -1.67 0.00 -1.26 -0.17 107.32 100.41 1xkb s GLY 216 Ca 0.15 0.90 -0.17 0.00 0.00 0.00 0.00 44.72 45.61 1xkb s GLY 216 CO 0.07 0.21 0.52 -0.54 0.00 0.00 0.00 173.10 173.36 1xkb s GLU 217 N -2.37 3.01 2.76 2.90 2.02 -1.26 -4.93 118.70 120.82 1xkb s GLU 217 Ca 0.13 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1xkb s GLU 217 Cb 0.04 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 30.04 1xkb s GLU 217 CO -0.04 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.36 1xkb n GLY 218 N 5.24 -0.20 2.93 -1.39 0.00 -1.26 -4.62 105.19 105.89 1xkb n GLY 218 Ca -0.12 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1xkb n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkb n ALA 221 N 4.88 -0.28 -0.94 0.00 0.00 -1.26 -4.36 120.51 118.54 1xkb n ALA 221 Ca -0.14 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1xkb n ALA 221 Cb 0.51 -1.49 0.17 0.00 0.00 0.00 0.00 19.45 18.64 1xkb n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xkb s ARG 222 N -3.84 0.60 0.07 0.00 0.52 -1.26 -4.63 118.95 110.42 1xkb s ARG 222 Ca 0.00 0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 55.92 1xkb s ARG 222 Cb 0.00 -1.72 -0.06 0.00 0.52 0.00 0.00 34.95 33.68 1xkb s ARG 222 CO 0.00 -2.72 0.70 0.15 0.02 0.00 0.00 175.30 173.44 1xkb s LYS 223 N -4.76 4.42 0.00 3.54 1.02 -1.25 -3.64 119.74 119.07 1xkb s LYS 223 Ca 0.65 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.61 1xkb s LYS 223 Cb -0.21 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1xkb s LYS 223 CO 0.59 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.88 1xkb n GLY 223 N 2.05 0.34 3.34 -3.33 0.00 0.45 -4.96 105.19 103.07 1xkb n GLY 223 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1xkb n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkb s LYS 224 N -0.81 1.43 0.31 1.61 -0.14 -1.24 -4.66 119.74 116.24 1xkb s LYS 224 Ca 0.00 -1.20 0.01 0.00 -1.36 0.00 0.00 55.97 53.42 1xkb s LYS 224 Cb 0.00 -1.75 -0.00 0.00 -1.68 0.00 0.00 37.83 34.39 1xkb s LYS 224 CO 0.00 0.43 0.03 0.66 -0.76 0.00 0.00 175.35 175.71 1xkb n TYR 225 N 1.27 0.56 -3.68 3.18 4.01 -1.26 -4.57 117.16 116.66 1xkb n TYR 225 Ca -0.18 -1.64 -0.36 0.00 -0.16 0.00 0.00 57.90 55.55 1xkb n TYR 225 Cb 0.53 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.35 1xkb n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1xkb s GLY 226 N -2.75 2.32 -0.19 2.72 0.00 -0.39 -4.47 107.32 104.56 1xkb s GLY 226 Ca 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 1xkb s GLY 226 CO 0.03 -0.17 -0.04 -0.42 0.00 0.00 0.00 173.10 172.50 1xkb s ILE 227 N -1.16 3.59 0.19 0.90 -1.09 0.76 -2.10 121.20 122.29 1xkb s ILE 227 Ca 0.24 -0.44 0.11 0.00 -2.23 0.00 0.00 60.65 58.33 1xkb s ILE 227 Cb -0.14 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 1xkb s ILE 227 CO 0.12 0.45 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.73 1xkb s TYR 228 N 1.01 2.29 0.11 3.97 1.51 -0.60 -0.77 117.35 124.87 1xkb s TYR 228 Ca 0.01 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1xkb s TYR 228 Cb -0.15 -1.13 -0.07 0.00 -0.11 0.00 0.00 41.96 40.50 1xkb s TYR 228 CO 0.01 0.50 1.21 0.99 -1.11 0.00 0.00 175.55 177.15 1xkb s THR 229 N -1.68 3.81 -0.81 -0.71 2.01 -0.05 -2.28 115.64 115.93 1xkb s THR 229 Ca 0.21 1.37 -0.26 0.00 0.31 0.00 0.00 61.69 63.32 1xkb s THR 229 Cb -0.08 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1xkb s THR 229 CO 0.10 0.14 1.31 -0.75 -0.69 0.00 0.00 174.62 174.73 1xkb s LYS 230 N 0.63 3.29 0.47 4.92 2.20 -0.81 -2.82 119.74 127.61 1xkb s LYS 230 Ca 0.57 -0.48 0.13 0.00 -0.36 0.00 0.00 55.97 55.83 1xkb s LYS 230 Cb -0.31 -4.47 1.08 0.00 -1.51 0.00 0.00 37.83 32.63 1xkb s LYS 230 CO 0.32 -2.15 2.09 0.28 -0.36 0.00 0.00 175.35 175.52 1xkb h VAL 231 N 6.21 1.02 -0.01 4.02 2.07 -1.90 -1.84 116.25 125.82 1xkb h VAL 231 Ca -0.16 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xkb h VAL 231 Cb 1.04 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1xkb h VAL 231 CO 1.31 0.05 0.10 0.71 0.02 0.00 0.00 177.57 179.76 1xkb h THR 232 N 0.27 0.06 -0.00 2.57 1.35 -1.88 0.62 112.91 115.89 1xkb h THR 232 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1xkb h THR 232 Cb 0.08 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1xkb h THR 232 CO -0.02 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.17 1xkb n ALA 233 N -2.06 2.54 -1.09 6.62 0.00 -0.69 -3.85 120.51 121.97 1xkb n ALA 233 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1xkb n ALA 233 Cb 0.17 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.28 1xkb n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xkb n PHE 234 N -1.49 0.00 0.04 0.00 3.72 0.21 -4.77 117.46 115.17 1xkb n PHE 234 Ca 0.07 -0.59 0.05 0.00 -0.05 0.00 0.00 57.45 56.93 1xkb n PHE 234 Cb 0.34 -0.10 0.46 0.00 -0.94 0.00 0.00 39.48 39.24 1xkb n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xkb h LEU 235 N 0.00 0.39 0.16 4.37 -0.00 -1.57 0.48 115.31 119.15 1xkb h LEU 235 Ca 0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 57.88 57.56 1xkb h LEU 235 Cb 1.00 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1xkb h LEU 235 CO 0.00 0.28 -1.43 0.50 -0.00 0.00 0.00 178.44 177.79 1xkb h LYS 236 N 0.46 0.35 -0.48 1.13 3.64 -1.88 -2.74 116.57 117.05 1xkb h LYS 236 Ca 0.13 -0.59 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1xkb h LYS 236 Cb -0.04 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1xkb h LYS 236 CO -0.03 1.26 -0.00 2.35 -2.27 0.00 0.00 179.45 180.75 1xkb h TRP 237 N 0.09 0.92 -0.54 1.91 7.01 -1.71 -1.99 115.95 121.64 1xkb h TRP 237 Ca -0.22 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.61 1xkb h TRP 237 Cb 2.05 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.84 1xkb h TRP 237 CO 0.08 0.88 0.30 0.82 -2.79 0.00 0.00 178.44 177.73 1xkb h ILE 238 N 0.70 1.18 0.43 2.65 2.04 -0.14 -2.88 117.51 121.48 1xkb h ILE 238 Ca 0.13 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1xkb h ILE 238 Cb 0.51 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1xkb h ILE 238 CO 0.03 0.19 -0.23 0.44 0.00 0.00 0.00 178.15 178.58 1xkb h ASP 239 N 0.73 -0.55 0.11 1.72 5.19 -1.29 -2.62 116.42 119.71 1xkb h ASP 239 Ca 0.19 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1xkb h ASP 239 Cb 0.04 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1xkb h ASP 239 CO -0.03 -0.38 0.00 0.03 -3.12 0.00 0.00 179.24 175.74 1xkb h ARG 240 N -0.61 0.00 0.04 3.56 3.08 -1.35 -2.06 114.38 117.04 1xkb h ARG 240 Ca -0.06 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 1xkb h ARG 240 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1xkb h ARG 240 CO 0.08 0.00 -1.44 0.77 -1.07 0.00 0.00 179.97 178.31 1xkb h SER 241 N 0.00 0.14 -3.36 7.04 0.02 -1.25 -3.45 113.55 112.68 1xkb h SER 241 Ca 0.00 -0.21 -0.56 0.00 -0.84 0.00 0.00 61.79 60.18 1xkb h SER 241 Cb 0.06 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1xkb h SER 241 CO 0.00 1.17 0.19 -0.04 -1.14 0.00 0.00 176.83 177.02 1xkb s MET 242 N -2.64 4.42 1.04 3.45 -1.94 -0.78 -5.06 119.30 117.80 1xkb s MET 242 Ca -0.05 0.98 -0.13 0.00 -1.71 0.00 0.00 55.69 54.78 1xkb s MET 242 Cb 0.08 -3.48 0.21 0.00 2.01 0.00 0.00 34.83 33.65 1xkb s MET 242 CO 0.83 -0.05 1.08 0.15 -0.01 0.00 0.00 175.02 177.02 1xkb s LYS 243 N 1.16 0.07 0.00 2.03 1.02 -1.26 -4.95 119.74 117.81 1xkb s LYS 243 Ca 0.39 0.57 0.15 0.00 0.02 0.00 0.00 55.97 57.10 1xkb s LYS 243 Cb -0.18 -1.69 0.12 0.00 -0.52 0.00 0.00 37.83 35.56 1xkb s LYS 243 CO 0.18 -2.99 0.98 0.25 -0.92 0.00 0.00 175.35 172.85