#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxt n ASP 11 N 0.00 5.93 -4.88 3.14 2.03 -1.26 -4.92 116.55 116.59 1sxt n ASP 11 Ca 0.00 -2.99 -0.33 0.00 0.52 0.00 0.00 54.79 51.99 1sxt n ASP 11 Cb 0.00 -0.99 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 1sxt n ASP 11 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1sxt s LEU 12 N -1.71 4.27 0.55 -2.67 1.43 -1.26 -5.08 118.68 114.21 1sxt s LEU 12 Ca 0.29 0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 1sxt s LEU 12 Cb 0.23 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1sxt s LEU 12 CO 0.00 0.07 1.02 -0.13 0.23 0.00 0.00 176.35 177.54 1sxt s ARG 13 N -2.42 3.64 0.15 1.70 3.00 -1.26 -5.03 118.95 118.73 1sxt s ARG 13 Ca 0.40 1.09 0.06 0.00 0.00 0.00 0.00 55.73 57.27 1sxt s ARG 13 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 34.95 32.70 1sxt s ARG 13 CO 0.21 -0.54 0.06 0.15 0.00 0.00 0.00 175.30 175.19 1sxt s LYS 14 N -4.05 2.67 0.23 3.54 1.02 -1.26 -4.55 119.74 117.34 1sxt s LYS 14 Ca 0.61 -0.94 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 1sxt s LYS 14 Cb -0.13 -2.53 0.37 0.00 -0.52 0.00 0.00 37.83 35.02 1sxt s LYS 14 CO 0.34 0.49 1.67 -0.22 -0.92 0.00 0.00 175.35 176.70 1sxt h LYS 15 N 2.72 0.18 -6.26 1.68 3.64 -1.66 -3.35 116.57 113.52 1sxt h LYS 15 Ca -0.47 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.34 1sxt h LYS 15 Cb 1.19 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1sxt h LYS 15 CO 0.61 0.12 1.11 -1.12 -2.27 0.00 0.00 179.45 177.89 1sxt s SER 16 N -5.24 6.49 0.00 4.20 0.01 -1.26 -1.00 113.70 116.90 1sxt s SER 16 Ca -0.13 1.83 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1sxt s SER 16 Cb 0.20 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1sxt s SER 16 CO 0.75 -1.13 0.00 -0.62 0.41 0.00 0.00 173.24 172.64 1sxt n GLU 17 N 7.44 0.00 -2.50 12.44 4.71 -1.25 -5.08 120.64 136.39 1sxt n GLU 17 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.90 1sxt n GLU 17 Cb 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.85 1sxt n GLU 17 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1sxt s LEU 18 N 0.00 3.69 0.94 -4.62 2.96 -0.17 -5.01 118.68 116.46 1sxt s LEU 18 Ca 0.00 0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 54.54 1sxt s LEU 18 Cb 0.00 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.20 1sxt s LEU 18 CO 0.00 -1.24 0.58 0.00 -1.32 0.00 0.00 176.35 174.37 1sxt n GLN 19 N 7.72 -0.31 0.31 1.98 3.00 -1.26 -4.65 117.38 124.18 1sxt n GLN 19 Ca 0.14 -0.04 0.19 0.00 -0.01 0.00 0.00 57.00 57.28 1sxt n GLN 19 Cb 0.48 -1.98 0.99 0.00 0.00 0.00 0.00 30.24 29.74 1sxt n GLN 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1sxt h GLY 20 N -1.60 0.00 0.80 1.08 0.00 -1.98 -0.31 103.07 101.05 1sxt h GLY 20 Ca -0.43 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.65 1sxt h GLY 20 CO 0.36 0.00 -1.72 -1.30 0.00 0.00 0.00 176.54 173.88 1sxt n THR 21 N -3.29 1.37 0.16 4.70 -2.24 -1.26 -2.88 114.28 110.85 1sxt n THR 21 Ca -0.02 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1sxt n THR 21 Cb 0.15 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 1sxt n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sxt h ALA 22 N 1.18 -0.43 0.00 6.98 0.00 -1.36 0.15 119.26 125.78 1sxt h ALA 22 Ca -0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1sxt h ALA 22 Cb 1.86 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1sxt h ALA 22 CO 0.06 -0.58 -0.03 1.25 0.00 0.00 0.00 179.25 179.94 1sxt h LEU 23 N -0.75 0.00 0.05 0.00 5.85 -1.27 0.14 115.31 119.33 1sxt h LEU 23 Ca -0.04 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1sxt h LEU 23 Cb 0.50 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.55 1sxt h LEU 23 CO 0.07 0.03 -0.80 1.23 -0.34 0.00 0.00 178.44 178.64 1sxt h GLY 24 N 0.12 0.50 1.19 3.75 0.00 -1.38 -2.78 103.07 104.47 1sxt h GLY 24 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 47.33 46.23 1sxt h GLY 24 CO 0.00 0.87 -0.17 3.43 0.00 0.00 0.00 176.54 180.67 1sxt h ASN 25 N -0.06 0.95 -0.57 0.19 4.21 0.02 0.23 115.58 120.55 1sxt h ASN 25 Ca -0.12 -0.34 0.05 0.00 1.21 0.00 0.00 56.30 57.11 1sxt h ASN 25 Cb 1.53 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 38.42 1sxt h ASN 25 CO 0.15 1.10 0.31 -0.07 -1.29 0.00 0.00 177.43 177.63 1sxt h LEU 26 N 0.82 0.45 -1.28 1.61 3.38 -0.82 0.18 115.31 119.65 1sxt h LEU 26 Ca 0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1sxt h LEU 26 Cb 0.73 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sxt h LEU 26 CO 0.06 0.30 -0.18 0.50 0.09 0.00 0.00 178.44 179.21 1sxt h LYS 27 N 0.58 0.26 -0.09 1.13 3.64 -1.12 -0.14 116.57 120.83 1sxt h LYS 27 Ca 0.25 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1sxt h LYS 27 Cb 0.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1sxt h LYS 27 CO -0.16 0.45 -0.23 1.96 -2.27 0.00 0.00 179.45 179.20 1sxt h GLN 28 N 0.25 0.32 0.29 1.90 4.20 0.19 -1.95 115.11 120.30 1sxt h GLN 28 Ca 0.05 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1sxt h GLN 28 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1sxt h GLN 28 CO 0.03 0.82 -0.26 0.82 -0.67 0.00 0.00 178.83 179.58 1sxt h ILE 29 N -0.14 0.00 0.00 2.54 2.04 -0.24 0.51 117.51 122.23 1sxt h ILE 29 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sxt h ILE 29 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1sxt h ILE 29 CO 0.05 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.98 1sxt n TYR 30 N -3.90 0.44 0.10 1.37 4.01 -0.11 -3.93 117.16 115.15 1sxt n TYR 30 Ca -0.06 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1sxt n TYR 30 Cb 0.24 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 1sxt n TYR 30 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1sxt n TYR 31 N -1.89 -1.36 0.26 -0.72 9.36 -0.77 -4.02 117.16 118.03 1sxt n TYR 31 Ca 0.03 0.24 0.15 0.00 3.32 0.00 0.00 57.90 61.64 1sxt n TYR 31 Cb 0.24 0.31 0.63 0.00 -0.63 0.00 0.00 39.34 39.89 1sxt n TYR 31 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1sxt h TYR 32 N 0.00 0.00 -2.64 2.98 0.05 -0.82 -3.47 116.97 113.07 1sxt h TYR 32 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 1sxt h TYR 32 Cb 0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 1sxt h TYR 32 CO 0.00 0.08 -0.19 -0.80 -1.05 0.00 0.00 178.16 176.19 1sxt s ASN 33 N -5.86 6.11 -0.10 3.88 0.01 0.17 -5.00 114.94 114.14 1sxt s ASN 33 Ca 0.01 0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 52.27 1sxt s ASN 33 Cb 0.10 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 1sxt s ASN 33 CO 0.57 -0.43 0.51 -1.61 -1.51 0.00 0.00 177.10 174.64 1sxt s GLU 34 N -4.36 4.35 0.49 -0.60 0.41 -1.26 -4.98 118.70 112.75 1sxt s GLU 34 Ca 0.43 0.52 -0.09 0.00 -0.41 0.00 0.00 54.97 55.42 1sxt s GLU 34 Cb -0.10 -3.43 -0.05 0.00 -1.78 0.00 0.00 34.13 28.77 1sxt s GLU 34 CO 0.36 0.16 0.84 0.15 -0.49 0.00 0.00 175.26 176.28 1sxt s LYS 35 N 0.59 3.65 -0.43 1.61 1.02 -1.26 -4.39 119.74 120.54 1sxt s LYS 35 Ca 0.28 0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.58 1sxt s LYS 35 Cb -0.16 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.91 1sxt s LYS 35 CO 0.12 -0.23 0.30 0.00 -0.92 0.00 0.00 175.35 174.62 1sxt s ALA 36 N -2.71 3.40 -0.05 5.17 0.00 0.11 -4.91 121.76 122.77 1sxt s ALA 36 Ca 0.51 -2.02 0.06 0.00 0.00 0.00 0.00 51.96 50.50 1sxt s ALA 36 Cb -0.10 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1sxt s ALA 36 CO 0.42 -1.62 -0.24 0.15 0.00 0.00 0.00 175.76 174.48 1sxt s LYS 37 N 1.54 2.50 -0.29 0.00 3.01 -1.26 -1.84 119.74 123.40 1sxt s LYS 37 Ca 0.03 -0.88 -0.18 0.00 -1.01 0.00 0.00 55.97 53.93 1sxt s LYS 37 Cb -0.22 -2.18 0.15 0.00 -1.01 0.00 0.00 37.83 34.57 1sxt s LYS 37 CO 0.05 0.43 1.05 0.95 0.51 0.00 0.00 175.35 178.35 1sxt s THR 38 N -0.29 0.00 0.23 2.17 -4.23 -0.78 -4.95 115.64 107.80 1sxt s THR 38 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1sxt s THR 38 Cb -0.13 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1sxt s THR 38 CO 0.03 0.00 0.36 -1.61 -0.54 0.00 0.00 174.62 172.86 1sxt s GLU 39 N 1.00 3.44 -1.61 3.99 0.41 -1.26 -0.56 118.70 124.11 1sxt s GLU 39 Ca -0.05 -0.70 -0.14 0.00 -0.41 0.00 0.00 54.97 53.67 1sxt s GLU 39 Cb -0.04 -2.89 0.11 0.00 -1.78 0.00 0.00 34.13 29.54 1sxt s GLU 39 CO -0.13 0.43 0.73 -1.71 -0.49 0.00 0.00 175.26 174.09 1sxt n ASN 40 N -1.28 -2.86 -4.89 -0.19 5.15 -1.02 -4.95 115.26 105.22 1sxt n ASN 40 Ca -0.08 -0.98 -0.29 0.00 -0.60 0.00 0.00 54.58 52.64 1sxt n ASN 40 Cb 0.56 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.82 1sxt n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1sxt s LYS 41 N -6.80 3.57 -0.09 1.20 -0.14 0.11 -4.78 119.74 112.80 1sxt s LYS 41 Ca 0.56 0.38 -0.06 0.00 -1.36 0.00 0.00 55.97 55.49 1sxt s LYS 41 Cb -0.30 -2.29 0.04 0.00 -1.68 0.00 0.00 37.83 33.59 1sxt s LYS 41 CO 0.90 -0.30 0.23 -2.00 -0.76 0.00 0.00 175.35 173.42 1sxt s GLU 42 N -4.83 0.22 -0.02 1.68 -6.30 -1.26 0.04 118.70 108.23 1sxt s GLU 42 Ca 0.50 0.43 -0.01 0.00 -2.50 0.00 0.00 54.97 53.39 1sxt s GLU 42 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 34.13 34.01 1sxt s GLU 42 CO 0.47 -0.11 0.05 0.45 0.02 0.00 0.00 175.26 176.14 1sxt s SER 43 N 0.81 -0.03 -0.12 -1.70 0.15 -1.26 -5.00 113.70 106.54 1sxt s SER 43 Ca -0.06 0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.85 1sxt s SER 43 Cb -0.07 0.07 -0.22 0.00 -1.71 0.00 0.00 66.02 64.09 1sxt s SER 43 CO -0.05 -0.05 0.15 1.41 1.20 0.00 0.00 173.24 175.89 1sxt n HIS 44 N 3.41 0.00 -1.95 3.44 8.25 -1.26 -0.35 115.22 126.76 1sxt n HIS 44 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1sxt n HIS 44 Cb 0.57 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 1sxt n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sxt s ASP 45 N -4.75 6.61 0.20 0.41 1.11 -1.26 -4.82 116.67 114.18 1sxt s ASP 45 Ca -0.08 2.52 0.08 0.00 0.18 0.00 0.00 52.55 55.25 1sxt s ASP 45 Cb 0.07 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1sxt s ASP 45 CO 0.69 -0.84 0.02 -1.10 1.18 0.00 0.00 175.17 175.12 1sxt s GLN 46 N 1.91 2.44 -0.16 8.23 -0.21 -1.26 -0.52 119.66 130.08 1sxt s GLN 46 Ca 0.71 -1.17 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 1sxt s GLN 46 Cb -0.41 -2.33 0.08 0.00 1.00 0.00 0.00 33.01 31.34 1sxt s GLN 46 CO 0.32 0.43 0.20 0.12 -2.12 0.00 0.00 175.29 174.23 1sxt s PHE 47 N -1.92 -0.22 -0.11 0.91 5.36 0.12 -4.68 117.98 117.45 1sxt s PHE 47 Ca 0.29 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.55 1sxt s PHE 47 Cb -0.08 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.26 1sxt s PHE 47 CO 0.20 -0.49 0.07 1.28 -1.46 0.00 0.00 175.22 174.81 1sxt n LEU 48 N 5.32 -4.46 0.00 6.12 4.77 -1.26 -2.88 117.00 124.60 1sxt n LEU 48 Ca -0.05 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1sxt n LEU 48 Cb 0.50 -1.97 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1sxt n LEU 48 CO 0.07 -1.68 0.00 1.67 -1.33 0.00 0.00 177.39 176.12 1sxt n GLN 49 N 1.01 0.00 -1.49 3.23 -0.06 -1.26 -3.97 117.38 114.85 1sxt n GLN 49 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.95 1sxt n GLN 49 Cb 0.42 -1.17 -0.01 0.00 -4.06 0.00 0.00 30.24 25.41 1sxt n GLN 49 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1sxt n HIS 50 N 0.00 -0.40 -3.96 3.69 1.44 -1.25 -3.85 115.22 110.88 1sxt n HIS 50 Ca 0.00 -0.83 -0.12 0.00 -2.01 0.00 0.00 57.72 54.76 1sxt n HIS 50 Cb 0.00 0.63 -0.13 0.00 0.12 0.00 0.00 29.99 30.61 1sxt n HIS 50 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1sxt s THR 51 N -0.12 0.14 0.04 0.61 -4.23 -1.14 -2.04 115.64 108.90 1sxt s THR 51 Ca 0.07 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1sxt s THR 51 Cb 0.15 -0.17 -0.04 0.00 1.34 0.00 0.00 72.50 73.79 1sxt s THR 51 CO -0.05 -0.11 0.12 -0.63 -0.54 0.00 0.00 174.62 173.40 1sxt s ILE 52 N -0.44 4.87 -0.14 2.99 1.01 -0.41 0.11 121.20 129.19 1sxt s ILE 52 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1sxt s ILE 52 Cb -0.03 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1sxt s ILE 52 CO -0.00 0.22 -0.21 -0.22 0.00 0.00 0.00 174.94 174.73 1sxt s LEU 53 N -2.16 2.19 -0.52 2.97 0.20 0.32 -1.85 118.68 119.82 1sxt s LEU 53 Ca 0.28 -0.57 -0.11 0.00 0.69 0.00 0.00 54.13 54.42 1sxt s LEU 53 Cb -0.12 -1.47 0.13 0.00 -0.43 0.00 0.00 46.19 44.30 1sxt s LEU 53 CO 0.20 0.08 0.42 -0.36 -0.29 0.00 0.00 176.35 176.41 1sxt s PHE 54 N 0.80 3.40 0.40 5.38 0.40 -0.26 -4.24 117.98 123.86 1sxt s PHE 54 Ca -0.07 -1.74 -0.27 0.00 -0.60 0.00 0.00 56.93 54.25 1sxt s PHE 54 Cb -0.16 -3.60 -0.09 0.00 0.51 0.00 0.00 43.02 39.68 1sxt s PHE 54 CO -0.01 -1.00 1.40 0.15 0.70 0.00 0.00 175.22 176.47 1sxt s LYS 55 N 1.30 3.97 -1.41 0.44 1.02 -1.26 -1.73 119.74 122.07 1sxt s LYS 55 Ca 0.06 2.39 -0.05 0.00 0.02 0.00 0.00 55.97 58.39 1sxt s LYS 55 Cb -0.26 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1sxt s LYS 55 CO -0.00 -0.58 0.35 0.41 -0.92 0.00 0.00 175.35 174.61 1sxt n GLY 56 N 0.59 -0.32 0.22 -3.33 0.00 -1.06 -4.86 105.19 96.43 1sxt n GLY 56 Ca 0.03 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1sxt n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sxt h PHE 57 N -1.90 0.75 -3.27 1.61 3.57 -0.03 -3.41 116.94 114.24 1sxt h PHE 57 Ca -0.65 -0.11 -0.59 0.00 3.53 0.00 0.00 57.97 60.15 1sxt h PHE 57 Cb 1.38 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 1sxt h PHE 57 CO 0.47 0.73 0.49 -0.06 -2.23 0.00 0.00 178.31 177.71 1sxt s PHE 58 N -5.15 3.31 -2.61 0.41 0.08 -1.12 -4.92 117.98 107.98 1sxt s PHE 58 Ca -0.13 1.15 0.24 0.00 0.12 0.00 0.00 56.93 58.32 1sxt s PHE 58 Cb 0.10 -3.06 0.28 0.00 -0.57 0.00 0.00 43.02 39.77 1sxt s PHE 58 CO 0.78 -0.40 1.29 0.25 -0.10 0.00 0.00 175.22 177.05 1sxt n THR 59 N 5.25 0.00 -0.48 0.64 -2.24 -1.26 -4.84 114.28 111.35 1sxt n THR 59 Ca 0.06 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1sxt n THR 59 Cb 0.47 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 1sxt n THR 59 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sxt n ASP 60 N 0.73 0.00 -2.90 3.42 5.68 -1.26 -5.01 116.55 117.20 1sxt n ASP 60 Ca 0.13 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.18 1sxt n ASP 60 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1sxt n ASP 60 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1sxt n HIS 61 N 0.00 2.96 -4.04 2.11 8.25 -1.26 -5.08 115.22 118.16 1sxt n HIS 61 Ca 0.00 -3.75 -0.23 0.00 -0.26 0.00 0.00 57.72 53.49 1sxt n HIS 61 Cb 0.00 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 1sxt n HIS 61 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sxt s SER 62 N -3.24 4.84 0.10 0.41 1.04 -1.26 -5.03 113.70 110.56 1sxt s SER 62 Ca 0.46 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 1sxt s SER 62 Cb 0.33 -0.81 0.06 0.00 0.10 0.00 0.00 66.02 65.70 1sxt s SER 62 CO -0.12 -0.29 0.76 0.79 0.98 0.00 0.00 173.24 175.35 1sxt n TRP 63 N -1.19 -0.07 -3.49 5.02 8.01 -1.26 -4.49 117.44 119.96 1sxt n TRP 63 Ca -0.03 0.61 -0.38 0.00 -1.31 0.00 0.00 57.50 56.39 1sxt n TRP 63 Cb 0.61 -0.63 -0.06 0.00 -2.01 0.00 0.00 31.31 29.22 1sxt n TRP 63 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1sxt s TYR 64 N -5.38 3.70 -0.14 -5.99 2.02 -1.26 -4.63 117.35 105.66 1sxt s TYR 64 Ca -0.06 0.96 -0.11 0.00 -0.37 0.00 0.00 57.07 57.48 1sxt s TYR 64 Cb 0.08 -2.31 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1sxt s TYR 64 CO 0.33 0.59 -0.25 0.09 -1.57 0.00 0.00 175.55 174.74 1sxt n ASN 65 N 2.06 1.56 -4.94 2.29 3.02 0.24 -4.44 115.26 115.06 1sxt n ASN 65 Ca -0.13 0.26 -0.26 0.00 -0.03 0.00 0.00 54.58 54.42 1sxt n ASN 65 Cb 0.52 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1sxt n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1sxt s ASP 66 N -6.31 6.36 -0.01 6.41 1.01 -0.68 0.41 116.67 123.86 1sxt s ASP 66 Ca -0.24 0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.43 1sxt s ASP 66 Cb 0.06 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 1sxt s ASP 66 CO 0.32 -0.07 -0.22 -0.22 0.21 0.00 0.00 175.17 175.19 1sxt s LEU 67 N -3.53 2.05 -0.34 1.23 2.96 -0.71 -1.48 118.68 118.87 1sxt s LEU 67 Ca 0.38 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1sxt s LEU 67 Cb -0.11 -1.13 0.10 0.00 0.50 0.00 0.00 46.19 45.55 1sxt s LEU 67 CO 0.30 0.26 0.04 -0.22 -1.32 0.00 0.00 176.35 175.41 1sxt s LEU 68 N -0.58 4.68 -0.33 -0.68 2.96 0.06 -1.11 118.68 123.68 1sxt s LEU 68 Ca 0.09 -2.10 -0.22 0.00 -0.22 0.00 0.00 54.13 51.67 1sxt s LEU 68 Cb -0.09 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1sxt s LEU 68 CO -0.01 -0.37 0.74 -0.69 -1.32 0.00 0.00 176.35 174.71 1sxt s VAL 69 N 0.92 4.81 -0.01 1.68 1.01 -0.77 -2.00 120.40 126.04 1sxt s VAL 69 Ca 0.10 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1sxt s VAL 69 Cb -0.19 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1sxt s VAL 69 CO -0.08 -0.28 0.18 -0.62 0.00 0.00 0.00 175.10 174.30 1sxt s ASP 70 N 1.70 6.36 0.20 3.32 2.15 -0.12 -1.29 116.67 128.99 1sxt s ASP 70 Ca 0.30 0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.62 1sxt s ASP 70 Cb -0.14 -2.00 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1sxt s ASP 70 CO 0.14 0.26 0.11 -0.36 -0.17 0.00 0.00 175.17 175.15 1sxt s PHE 71 N -1.32 1.17 0.27 -5.34 0.08 -0.87 -0.77 117.98 111.20 1sxt s PHE 71 Ca 0.27 -1.31 -0.02 0.00 0.12 0.00 0.00 56.93 55.99 1sxt s PHE 71 Cb -0.13 -0.60 0.37 0.00 -0.57 0.00 0.00 43.02 42.09 1sxt s PHE 71 CO 0.19 -0.56 1.82 -0.44 -0.10 0.00 0.00 175.22 176.13 1sxt h ASP 72 N 2.63 0.81 -5.17 1.36 3.32 -1.56 -3.45 116.42 114.36 1sxt h ASP 72 Ca -0.36 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1sxt h ASP 72 Cb 1.24 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.48 1sxt h ASP 72 CO 0.56 0.79 -0.06 -0.94 -1.72 0.00 0.00 179.24 177.86 1sxt s SER 73 N -6.56 -0.15 0.00 6.45 1.04 -1.26 -5.00 113.70 108.22 1sxt s SER 73 Ca -0.10 -0.74 0.12 0.00 0.48 0.00 0.00 55.95 55.71 1sxt s SER 73 Cb 0.15 0.58 0.55 0.00 0.10 0.00 0.00 66.02 67.40 1sxt s SER 73 CO 0.81 -1.10 1.34 1.17 0.98 0.00 0.00 173.24 176.43 1sxt n LYS 74 N -0.36 0.07 0.16 4.02 4.81 -1.25 -1.92 118.16 123.70 1sxt n LYS 74 Ca -0.05 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.51 1sxt n LYS 74 Cb 0.62 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.10 1sxt n LYS 74 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1sxt h ASP 75 N 0.00 -0.39 -0.74 3.14 5.19 -1.94 -2.08 116.42 119.60 1sxt h ASP 75 Ca 0.00 -0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1sxt h ASP 75 Cb 0.16 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 1sxt h ASP 75 CO 0.00 0.03 0.48 0.40 -3.12 0.00 0.00 179.24 177.03 1sxt h ILE 76 N -0.90 1.15 -0.71 0.35 2.04 -1.81 -2.45 117.51 115.18 1sxt h ILE 76 Ca -0.05 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1sxt h ILE 76 Cb 0.53 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1sxt h ILE 76 CO 0.08 0.17 0.43 0.58 0.00 0.00 0.00 178.15 179.41 1sxt h VAL 77 N 0.96 1.04 0.00 1.67 2.07 -1.52 -0.80 116.25 119.67 1sxt h VAL 77 Ca 0.28 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sxt h VAL 77 Cb -0.05 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1sxt h VAL 77 CO -0.08 0.15 0.00 0.47 0.02 0.00 0.00 177.57 178.13 1sxt n ASP 78 N -4.70 0.00 0.14 0.57 8.00 -0.78 -0.50 116.55 119.28 1sxt n ASP 78 Ca 0.08 0.27 0.07 0.00 0.71 0.00 0.00 54.79 55.92 1sxt n ASP 78 Cb 0.13 -0.41 0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1sxt n ASP 78 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1sxt h LYS 79 N 0.00 0.00 0.00 -1.24 3.64 -0.80 -3.38 116.57 114.79 1sxt h LYS 79 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1sxt h LYS 79 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1sxt h LYS 79 CO 0.00 0.21 -1.23 0.66 -2.27 0.00 0.00 179.45 176.82 1sxt n TYR 80 N -3.03 0.00 -1.67 1.91 4.01 -1.03 -4.86 117.16 112.49 1sxt n TYR 80 Ca 0.01 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.26 1sxt n TYR 80 Cb 0.65 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 1sxt n TYR 80 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1sxt n LYS 81 N -2.20 2.04 -0.55 -0.72 4.81 0.34 -0.03 118.16 121.85 1sxt n LYS 81 Ca -0.06 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1sxt n LYS 81 Cb 0.60 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1sxt n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sxt n GLY 82 N 4.58 0.89 3.90 3.14 0.00 0.52 -4.94 105.19 113.28 1sxt n GLY 82 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1sxt n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxt s LYS 83 N -0.40 3.11 -0.41 1.61 -0.14 0.96 -4.90 119.74 119.57 1sxt s LYS 83 Ca 0.00 -0.97 -0.26 0.00 -1.36 0.00 0.00 55.97 53.37 1sxt s LYS 83 Cb 0.00 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.46 1sxt s LYS 83 CO 0.00 0.32 0.96 0.15 -0.76 0.00 0.00 175.35 176.03 1sxt s LYS 84 N -3.96 3.75 0.36 1.68 -0.14 -1.26 -4.30 119.74 115.88 1sxt s LYS 84 Ca 0.36 0.49 0.08 0.00 -1.36 0.00 0.00 55.97 55.54 1sxt s LYS 84 Cb -0.08 -3.85 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 1sxt s LYS 84 CO 0.27 -1.08 0.03 0.14 -0.76 0.00 0.00 175.35 173.95 1sxt s VAL 85 N 3.70 2.43 -0.01 3.17 -7.23 0.11 -0.70 120.40 121.87 1sxt s VAL 85 Ca 0.40 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 1sxt s VAL 85 Cb -0.11 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1sxt s VAL 85 CO 0.22 -0.13 -0.24 -1.81 -0.31 0.00 0.00 175.10 172.83 1sxt s ASP 86 N -3.74 2.82 0.11 4.85 1.01 0.01 0.05 116.67 121.78 1sxt s ASP 86 Ca 0.36 -0.45 0.08 0.00 0.71 0.00 0.00 52.55 53.25 1sxt s ASP 86 Cb 0.02 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.61 1sxt s ASP 86 CO 0.19 0.28 -0.13 -0.76 0.21 0.00 0.00 175.17 174.97 1sxt s LEU 87 N -0.65 2.91 -0.30 1.23 2.01 0.28 -0.58 118.68 123.58 1sxt s LEU 87 Ca 0.09 -0.46 -0.08 0.00 0.01 0.00 0.00 54.13 53.69 1sxt s LEU 87 Cb -0.09 -1.72 0.17 0.00 0.01 0.00 0.00 46.19 44.56 1sxt s LEU 87 CO -0.01 0.17 0.77 -0.47 1.01 0.00 0.00 176.35 177.83 1sxt s TYR 88 N -1.21 -1.16 -0.02 0.29 6.14 -0.95 -1.87 117.35 118.58 1sxt s TYR 88 Ca 0.20 1.55 -0.07 0.00 0.64 0.00 0.00 57.07 59.39 1sxt s TYR 88 Cb -0.11 0.53 0.02 0.00 0.42 0.00 0.00 41.96 42.82 1sxt s TYR 88 CO 0.12 -0.61 0.32 0.41 0.64 0.00 0.00 175.55 176.44 1sxt n GLY 89 N 5.35 0.32 3.54 8.97 0.00 -0.77 -4.43 105.19 118.17 1sxt n GLY 89 Ca -0.06 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1sxt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxt s ALA 90 N -1.24 3.17 0.19 4.61 0.00 -1.26 0.08 121.76 127.31 1sxt s ALA 90 Ca 0.08 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1sxt s ALA 90 Cb -0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1sxt s ALA 90 CO -0.01 0.09 -0.03 1.52 0.00 0.00 0.00 175.76 177.33 1sxt s TYR 91 N 0.57 2.77 0.06 0.00 1.13 -1.26 -4.52 117.35 116.10 1sxt s TYR 91 Ca 0.00 -0.17 0.01 0.00 -1.41 0.00 0.00 57.07 55.50 1sxt s TYR 91 Cb -0.14 -1.33 -0.03 0.00 -1.10 0.00 0.00 41.96 39.36 1sxt s TYR 91 CO 0.02 0.53 -0.05 1.52 -2.51 0.00 0.00 175.55 175.05 1sxt s TYR 92 N -1.79 0.66 -0.08 -3.49 -0.85 0.79 -4.88 117.35 107.71 1sxt s TYR 92 Ca 0.27 -0.82 0.12 0.00 -0.52 0.00 0.00 57.07 56.13 1sxt s TYR 92 Cb -0.09 -0.41 -0.18 0.00 0.38 0.00 0.00 41.96 41.66 1sxt s TYR 92 CO 0.18 -0.20 0.15 0.41 -1.52 0.00 0.00 175.55 174.56 1sxt n GLY 93 N 0.54 -0.62 3.68 5.49 0.00 -1.26 -0.13 105.19 112.89 1sxt n GLY 93 Ca -0.17 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1sxt n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sxt s TYR 94 N -2.57 2.71 -1.96 1.61 5.04 -1.26 -2.61 117.35 118.30 1sxt s TYR 94 Ca -0.06 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1sxt s TYR 94 Cb 0.06 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 38.71 1sxt s TYR 94 CO 0.53 -2.48 0.00 1.04 -1.34 0.00 0.00 175.55 173.31 1sxt n GLN 95 N 5.96 -1.52 -2.13 4.97 6.02 -1.26 -4.40 117.38 125.02 1sxt n GLN 95 Ca 0.14 1.11 -0.29 0.00 -0.01 0.00 0.00 57.00 57.94 1sxt n GLN 95 Cb 0.44 -5.60 -0.05 0.00 1.02 0.00 0.00 30.24 26.05 1sxt n GLN 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sxt s ALA 97 N 9.53 1.14 -0.08 0.00 0.00 -1.26 -4.89 121.76 126.20 1sxt s ALA 97 Ca 0.66 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 1sxt s ALA 97 Cb -0.04 -4.59 0.12 0.00 0.00 0.00 0.00 23.12 18.61 1sxt s ALA 97 CO 0.03 -5.53 1.04 0.20 0.00 0.00 0.00 175.76 171.50 1sxt s GLY 98 N 9.17 -0.38 0.00 0.00 0.00 -1.26 -5.13 107.32 109.72 1sxt s GLY 98 Ca 0.81 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.75 1sxt s GLY 98 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.17 1sxt n GLY 99 N -0.19 0.00 3.57 0.20 0.00 -1.26 -4.26 105.19 103.24 1sxt n GLY 99 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1sxt n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxt s THR 100 N -0.15 4.03 0.00 2.61 2.01 -1.26 -5.01 115.64 117.87 1sxt s THR 100 Ca 0.00 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1sxt s THR 100 Cb 0.00 -4.73 0.00 0.00 0.01 0.00 0.00 72.50 67.78 1sxt s THR 100 CO 0.00 -1.37 0.00 -2.65 -0.69 0.00 0.00 174.62 169.91 1sxt n PRO 101 N 8.42 0.00 -1.31 4.92 -0.02 -1.26 -0.28 135.00 145.47 1sxt n PRO 101 Ca 0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 1sxt n PRO 101 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.98 1sxt n PRO 101 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sxt n ASN 102 N 0.00 6.86 0.00 2.55 5.15 -1.26 -3.85 115.26 124.71 1sxt n ASN 102 Ca 0.00 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 1sxt n ASN 102 Cb 0.00 -1.10 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 1sxt n ASN 102 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1sxt n LYS 103 N 0.16 2.82 -4.05 1.20 4.76 -0.75 -4.75 118.16 117.55 1sxt n LYS 103 Ca 0.46 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.55 1sxt n LYS 103 Cb 0.54 -0.31 -0.11 0.00 -1.84 0.00 0.00 35.03 33.30 1sxt n LYS 103 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1sxt s THR 104 N -0.43 4.35 0.42 -0.18 2.01 0.62 -0.59 115.64 121.84 1sxt s THR 104 Ca 0.00 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.90 1sxt s THR 104 Cb 0.00 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1sxt s THR 104 CO 0.00 0.43 0.56 0.00 -0.69 0.00 0.00 174.62 174.92 1sxt s ALA 105 N 0.76 4.49 0.07 7.40 0.00 -0.55 -4.85 121.76 129.08 1sxt s ALA 105 Ca 0.02 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.31 1sxt s ALA 105 Cb -0.14 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1sxt s ALA 105 CO 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 175.76 175.39 1sxt s MET 107 N -1.98 0.84 -0.16 0.00 0.00 -0.85 -0.15 119.30 117.01 1sxt s MET 107 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 55.69 55.21 1sxt s MET 107 Cb -0.08 0.37 -0.01 0.00 0.00 0.00 0.00 34.83 35.11 1sxt s MET 107 CO 0.01 -0.27 -0.09 0.71 0.00 0.00 0.00 175.02 175.37 1sxt s TYR 108 N -2.44 2.88 0.00 4.11 2.02 -1.26 -0.94 117.35 121.72 1sxt s TYR 108 Ca -0.06 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1sxt s TYR 108 Cb -0.01 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1sxt s TYR 108 CO -0.02 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 1sxt n GLY 109 N 3.90 2.31 2.89 0.71 0.00 0.05 -4.63 105.19 110.42 1sxt n GLY 109 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1sxt n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxt n GLY 110 N 0.00 2.42 3.74 -0.02 0.00 -1.26 -4.86 105.19 105.20 1sxt n GLY 110 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1sxt n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxt s VAL 111 N -3.20 4.46 0.14 1.61 1.01 -1.26 -2.25 120.40 120.91 1sxt s VAL 111 Ca 0.00 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.02 1sxt s VAL 111 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sxt s VAL 111 CO 0.00 0.36 -0.11 -0.89 0.00 0.00 0.00 175.10 174.46 1sxt s THR 112 N -0.24 1.19 -0.09 3.92 2.01 0.26 -4.95 115.64 117.74 1sxt s THR 112 Ca 0.44 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.27 1sxt s THR 112 Cb -0.23 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1sxt s THR 112 CO 0.29 -0.66 0.61 -0.76 -0.69 0.00 0.00 174.62 173.41 1sxt s LEU 113 N -2.96 4.30 0.02 4.42 1.43 -1.26 -0.81 118.68 123.82 1sxt s LEU 113 Ca 0.14 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 1sxt s LEU 113 Cb 0.00 -2.93 -0.12 0.00 0.03 0.00 0.00 46.19 43.18 1sxt s LEU 113 CO 0.01 -0.07 1.15 -0.74 0.23 0.00 0.00 176.35 176.93 1sxt h HIS 114 N 6.75 -0.71 -3.43 0.29 -0.00 -1.19 -3.42 115.15 113.44 1sxt h HIS 114 Ca -0.41 -0.02 -0.57 0.00 -0.00 0.00 0.00 60.37 59.38 1sxt h HIS 114 Cb 1.19 0.23 0.13 0.00 -0.00 0.00 0.00 27.41 28.96 1sxt h HIS 114 CO 0.64 -0.44 0.39 -0.25 -0.00 0.00 0.00 177.93 178.26 1sxt n ASP 115 N -4.37 2.11 0.00 3.26 8.00 -1.26 -2.93 116.55 121.36 1sxt n ASP 115 Ca -0.10 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1sxt n ASP 115 Cb 0.30 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1sxt n ASP 115 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1sxt n ASN 116 N 0.18 0.00 0.10 -2.24 6.94 -1.26 -4.71 115.26 114.27 1sxt n ASN 116 Ca 0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.43 1sxt n ASN 116 Cb 0.40 -2.05 -0.15 0.00 -2.36 0.00 0.00 39.78 35.62 1sxt n ASN 116 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1sxt h ASN 117 N 0.00 0.62 -2.14 0.53 -1.24 -1.78 -3.47 115.58 108.11 1sxt h ASN 117 Ca 0.00 -0.77 -0.60 0.00 0.71 0.00 0.00 56.30 55.64 1sxt h ASN 117 Cb 0.00 -0.20 0.05 0.00 0.73 0.00 0.00 38.32 38.90 1sxt h ASN 117 CO 0.00 1.62 0.74 -1.14 -1.29 0.00 0.00 177.43 177.37 1sxt n ARG 118 N -3.60 1.94 -2.98 6.67 3.00 -1.26 -1.25 116.66 119.18 1sxt n ARG 118 Ca -0.18 0.70 -0.30 0.00 -0.00 0.00 0.00 57.85 58.07 1sxt n ARG 118 Cb 1.07 -2.45 -0.04 0.00 0.00 0.00 0.00 32.46 31.05 1sxt n ARG 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1sxt s LEU 119 N 0.98 3.90 0.10 6.15 1.43 0.29 -4.87 118.68 126.65 1sxt s LEU 119 Ca 0.81 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 1sxt s LEU 119 Cb -0.74 -3.93 -0.13 0.00 0.03 0.00 0.00 46.19 41.42 1sxt s LEU 119 CO 0.40 -0.34 1.62 0.74 0.23 0.00 0.00 176.35 179.01 1sxt h THR 120 N 1.26 0.30 -3.88 5.49 2.02 -1.93 -3.42 112.91 112.75 1sxt h THR 120 Ca -0.47 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.25 1sxt h THR 120 Cb 1.19 0.30 -0.31 0.00 -1.74 0.00 0.00 68.15 67.59 1sxt h THR 120 CO 0.64 0.00 -0.80 -0.70 0.37 0.00 0.00 175.52 175.03 1sxt s GLU 121 N -6.01 1.15 0.51 6.66 2.12 -1.26 -5.12 118.70 116.74 1sxt s GLU 121 Ca -0.17 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 1sxt s GLU 121 Cb 0.06 -1.05 -0.07 0.00 0.26 0.00 0.00 34.13 33.33 1sxt s GLU 121 CO 0.63 0.16 1.22 -0.85 -0.54 0.00 0.00 175.26 175.89 1sxt n GLU 122 N 3.18 1.57 -3.50 4.30 0.28 -1.26 -4.98 120.64 120.24 1sxt n GLU 122 Ca -0.18 0.57 -0.37 0.00 -0.16 0.00 0.00 57.16 57.03 1sxt n GLU 122 Cb 0.54 -2.39 -0.07 0.00 1.43 0.00 0.00 31.44 30.95 1sxt n GLU 122 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1sxt s LYS 123 N -2.58 4.22 -0.35 3.44 2.47 0.08 -4.95 119.74 122.07 1sxt s LYS 123 Ca 0.69 0.10 -0.15 0.00 -1.56 0.00 0.00 55.97 55.05 1sxt s LYS 123 Cb -0.46 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.43 1sxt s LYS 123 CO 0.52 0.13 0.33 0.15 0.16 0.00 0.00 175.35 176.64 1sxt s LYS 124 N 0.79 3.50 -0.47 4.03 1.02 -1.26 -0.84 119.74 126.52 1sxt s LYS 124 Ca 0.17 -0.51 -0.25 0.00 0.02 0.00 0.00 55.97 55.39 1sxt s LYS 124 Cb -0.14 -3.82 0.03 0.00 -0.52 0.00 0.00 37.83 33.38 1sxt s LYS 124 CO 0.05 -0.52 0.92 0.08 -0.92 0.00 0.00 175.35 174.96 1sxt s VAL 125 N 1.93 4.47 0.00 3.17 1.01 0.67 -4.99 120.40 126.66 1sxt s VAL 125 Ca 0.10 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1sxt s VAL 125 Cb -0.17 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.69 1sxt s VAL 125 CO 0.11 -0.86 1.95 -2.84 0.00 0.00 0.00 175.10 173.46 1sxt s PRO 126 N 3.77 4.07 -0.20 2.72 0.02 -1.26 -4.42 135.00 139.70 1sxt s PRO 126 Ca 0.36 2.51 -0.07 0.00 0.02 0.00 0.00 61.00 63.82 1sxt s PRO 126 Cb -0.10 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.22 1sxt s PRO 126 CO 0.25 -1.03 0.06 0.42 -0.33 0.00 0.00 177.00 176.38 1sxt s ILE 127 N 4.70 4.66 -0.20 2.83 1.01 -1.26 -0.48 121.20 132.48 1sxt s ILE 127 Ca 0.87 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 1sxt s ILE 127 Cb -0.41 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1sxt s ILE 127 CO 0.40 0.43 0.10 0.20 0.00 0.00 0.00 174.94 176.06 1sxt s ASN 128 N 0.70 5.94 0.07 3.58 0.01 0.93 -4.43 114.94 121.73 1sxt s ASN 128 Ca 0.03 0.15 0.10 0.00 -0.71 0.00 0.00 52.86 52.43 1sxt s ASN 128 Cb -0.13 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 1sxt s ASN 128 CO 0.02 0.17 -0.26 -0.22 -1.51 0.00 0.00 177.10 175.29 1sxt s LEU 129 N 0.43 2.22 -0.19 0.60 0.20 -1.23 -0.39 118.68 120.31 1sxt s LEU 129 Ca 0.06 -0.63 -0.05 0.00 0.69 0.00 0.00 54.13 54.20 1sxt s LEU 129 Cb -0.12 -1.28 0.07 0.00 -0.43 0.00 0.00 46.19 44.44 1sxt s LEU 129 CO -0.01 0.24 0.13 0.26 -0.29 0.00 0.00 176.35 176.68 1sxt s TRP 130 N -0.87 0.08 -0.38 5.38 0.51 -0.20 -1.60 118.94 121.86 1sxt s TRP 130 Ca 0.12 -0.24 -0.14 0.00 -2.12 0.00 0.00 56.10 53.73 1sxt s TRP 130 Cb -0.10 -0.63 0.01 0.00 -0.81 0.00 0.00 33.47 31.94 1sxt s TRP 130 CO 0.03 -0.57 0.27 -1.17 -0.51 0.00 0.00 176.95 175.00 1sxt s LEU 131 N 2.18 4.83 -1.48 2.99 2.96 -0.11 -0.35 118.68 129.70 1sxt s LEU 131 Ca 0.04 -0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 53.12 1sxt s LEU 131 Cb -0.16 -2.14 0.07 0.00 0.50 0.00 0.00 46.19 44.46 1sxt s LEU 131 CO -0.13 -0.36 0.89 0.47 -1.32 0.00 0.00 176.35 175.90 1sxt n ASP 132 N 5.13 -5.00 0.00 3.68 8.00 -0.18 -0.89 116.55 127.29 1sxt n ASP 132 Ca -0.12 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1sxt n ASP 132 Cb 0.48 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 1sxt n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxt n GLY 133 N -1.63 2.42 3.56 0.44 0.00 -1.26 -4.95 105.19 103.77 1sxt n GLY 133 Ca 0.01 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1sxt n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sxt s LYS 134 N 0.00 2.71 -0.29 1.61 2.20 -0.07 -4.89 119.74 121.00 1sxt s LYS 134 Ca 0.00 0.98 -0.28 0.00 -0.36 0.00 0.00 55.97 56.31 1sxt s LYS 134 Cb 0.00 -4.38 -0.03 0.00 -1.51 0.00 0.00 37.83 31.91 1sxt s LYS 134 CO 0.00 -2.61 1.96 -1.14 -0.36 0.00 0.00 175.35 173.20 1sxt s GLN 135 N 6.92 3.24 0.05 4.03 2.00 -1.26 -0.93 119.66 133.71 1sxt s GLN 135 Ca 0.76 1.64 -0.03 0.00 -2.00 0.00 0.00 55.36 55.73 1sxt s GLN 135 Cb -0.16 -4.27 -0.05 0.00 0.80 0.00 0.00 33.01 29.34 1sxt s GLN 135 CO 0.25 -1.97 0.25 -0.80 -0.50 0.00 0.00 175.29 172.52 1sxt s ASN 136 N 6.98 6.42 -0.03 6.67 0.02 -0.63 -4.95 114.94 129.42 1sxt s ASN 136 Ca 0.87 0.42 -0.12 0.00 -1.02 0.00 0.00 52.86 53.02 1sxt s ASN 136 Cb -0.26 -2.03 -0.05 0.00 0.02 0.00 0.00 41.25 38.93 1sxt s ASN 136 CO 0.34 0.18 0.32 0.42 0.02 0.00 0.00 177.10 178.38 1sxt s THR 137 N -1.46 5.19 -0.02 1.60 -4.23 -1.26 -3.53 115.64 111.93 1sxt s THR 137 Ca 0.33 0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1sxt s THR 137 Cb -0.13 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1sxt s THR 137 CO 0.23 0.55 0.06 -0.69 -0.54 0.00 0.00 174.62 174.23 1sxt s VAL 138 N -1.11 4.57 0.86 2.29 1.01 -1.26 -5.03 120.40 121.73 1sxt s VAL 138 Ca 0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1sxt s VAL 138 Cb -0.15 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.28 1sxt s VAL 138 CO 0.11 0.39 1.14 -2.65 0.00 0.00 0.00 175.10 174.09 1sxt n PRO 139 N 1.36 -0.11 0.05 2.72 -0.02 -1.26 -4.92 135.00 132.83 1sxt n PRO 139 Ca -0.14 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1sxt n PRO 139 Cb 0.53 -2.38 0.32 0.00 -0.02 0.00 0.00 33.50 31.95 1sxt n PRO 139 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sxt n LEU 140 N -3.57 0.59 -0.17 2.45 7.94 -1.26 -3.20 117.00 119.78 1sxt n LEU 140 Ca 0.13 0.33 0.12 0.00 -1.11 0.00 0.00 56.01 55.48 1sxt n LEU 140 Cb 0.51 -0.28 0.21 0.00 0.53 0.00 0.00 43.42 44.38 1sxt n LEU 140 CO 0.49 -0.05 0.43 -1.84 -1.11 0.00 0.00 177.39 175.31 1sxt n GLU 141 N -1.96 0.50 -0.26 1.96 0.28 -1.26 -4.51 120.64 115.39 1sxt n GLU 141 Ca 0.05 -0.33 -0.09 0.00 -0.16 0.00 0.00 57.16 56.63 1sxt n GLU 141 Cb 0.40 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.73 1sxt n GLU 141 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1sxt h THR 142 N 0.82 0.04 -3.07 3.84 2.02 -1.90 -3.37 112.91 111.29 1sxt h THR 142 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 1sxt h THR 142 Cb 0.54 0.04 -0.35 0.00 -1.74 0.00 0.00 68.15 66.64 1sxt h THR 142 CO 0.00 0.00 -0.86 -0.69 0.37 0.00 0.00 175.52 174.34 1sxt s VAL 143 N -5.75 1.98 0.01 3.16 1.01 -1.26 -4.74 120.40 114.80 1sxt s VAL 143 Ca -0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1sxt s VAL 143 Cb 0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1sxt s VAL 143 CO 0.65 0.53 0.07 -1.59 0.00 0.00 0.00 175.10 174.76 1sxt s LYS 144 N 1.32 0.39 -0.04 2.72 -2.85 -1.26 -0.24 119.74 119.78 1sxt s LYS 144 Ca 0.05 -0.44 -0.09 0.00 -1.00 0.00 0.00 55.97 54.49 1sxt s LYS 144 Cb -0.13 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.81 1sxt s LYS 144 CO -0.13 -0.08 0.22 -0.08 0.10 0.00 0.00 175.35 175.39 1sxt s THR 145 N -1.30 0.04 -1.47 3.79 -1.32 -0.02 -4.98 115.64 110.38 1sxt s THR 145 Ca -0.14 -0.32 0.17 0.00 -1.21 0.00 0.00 61.69 60.19 1sxt s THR 145 Cb -0.08 -0.43 0.59 0.00 -1.51 0.00 0.00 72.50 71.07 1sxt s THR 145 CO 0.01 -0.17 1.48 0.59 -2.21 0.00 0.00 174.62 174.31 1sxt n ASN 146 N 2.12 3.85 -4.59 8.08 5.03 -1.26 -0.74 115.26 127.75 1sxt n ASN 146 Ca -0.18 -2.25 -0.34 0.00 0.87 0.00 0.00 54.58 52.68 1sxt n ASN 146 Cb 0.57 -0.49 -0.11 0.00 -1.02 0.00 0.00 39.78 38.73 1sxt n ASN 146 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sxt s LYS 147 N -1.59 2.94 0.02 3.52 1.02 -1.26 -0.55 119.74 123.84 1sxt s LYS 147 Ca 0.43 -0.51 -0.20 0.00 0.02 0.00 0.00 55.97 55.70 1sxt s LYS 147 Cb 0.26 -2.68 -0.18 0.00 -0.52 0.00 0.00 37.83 34.70 1sxt s LYS 147 CO 0.23 0.61 1.22 -0.22 -0.92 0.00 0.00 175.35 176.27 1sxt h LYS 148 N 5.46 0.38 -4.72 1.68 3.11 -1.51 -3.40 116.57 117.56 1sxt h LYS 148 Ca -0.46 -0.29 -0.69 0.00 -2.81 0.00 0.00 60.65 56.40 1sxt h LYS 148 Cb 1.18 0.05 -0.30 0.00 -1.00 0.00 0.00 32.23 32.16 1sxt h LYS 148 CO 0.54 0.91 -0.65 -0.80 -2.81 0.00 0.00 179.45 176.65 1sxt s ASN 149 N -6.40 5.12 0.07 4.20 0.01 -1.26 -0.22 114.94 116.45 1sxt s ASN 149 Ca -0.14 -1.17 0.09 0.00 -0.71 0.00 0.00 52.86 50.93 1sxt s ASN 149 Cb 0.04 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1sxt s ASN 149 CO 0.78 -0.29 -0.23 0.54 -1.51 0.00 0.00 177.10 176.39 1sxt s VAL 150 N 1.35 1.90 0.49 1.60 0.11 0.11 -4.86 120.40 121.09 1sxt s VAL 150 Ca -0.03 -1.40 -0.23 0.00 -2.93 0.00 0.00 61.98 57.39 1sxt s VAL 150 Cb -0.19 -1.66 -0.06 0.00 -1.53 0.00 0.00 36.38 32.93 1sxt s VAL 150 CO 0.01 0.19 1.29 -0.89 -3.33 0.00 0.00 175.10 172.36 1sxt s THR 151 N -0.90 2.51 0.45 5.04 2.01 -1.26 -0.67 115.64 122.82 1sxt s THR 151 Ca 0.10 0.40 0.18 0.00 0.31 0.00 0.00 61.69 62.68 1sxt s THR 151 Cb -0.10 -3.21 0.22 0.00 0.01 0.00 0.00 72.50 69.42 1sxt s THR 151 CO 0.03 0.01 2.03 0.58 -0.69 0.00 0.00 174.62 176.57 1sxt h VAL 152 N 1.80 0.98 -0.47 3.82 2.07 -1.64 -1.57 116.25 121.22 1sxt h VAL 152 Ca -0.50 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1sxt h VAL 152 Cb 1.27 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1sxt h VAL 152 CO 0.59 0.15 -0.08 -0.61 0.02 0.00 0.00 177.57 177.65 1sxt h GLN 153 N 0.00 0.85 -0.21 1.57 4.15 -1.91 0.27 115.11 119.82 1sxt h GLN 153 Ca -0.00 -0.28 -0.10 0.00 0.77 0.00 0.00 58.65 59.04 1sxt h GLN 153 Cb 0.30 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1sxt h GLN 153 CO 0.02 0.90 -0.30 1.49 -1.93 0.00 0.00 178.83 179.01 1sxt h GLU 154 N 0.77 0.43 0.18 1.69 4.81 -1.54 -1.01 114.58 119.90 1sxt h GLU 154 Ca 0.13 -0.17 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 1sxt h GLU 154 Cb 0.58 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.97 1sxt h GLU 154 CO 0.04 0.69 -1.09 -0.07 -0.73 0.00 0.00 179.01 177.84 1sxt h LEU 155 N 0.37 0.66 0.39 1.64 3.38 -1.22 -3.35 115.31 117.19 1sxt h LEU 155 Ca 0.05 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 1sxt h LEU 155 Cb 0.72 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sxt h LEU 155 CO 0.05 1.53 -0.34 -0.78 0.09 0.00 0.00 178.44 178.99 1sxt h ASP 156 N -0.10 -0.91 -1.07 -0.43 3.58 -0.36 -0.33 116.42 116.80 1sxt h ASP 156 Ca -0.19 0.07 0.29 0.00 0.42 0.00 0.00 57.03 57.62 1sxt h ASP 156 Cb 1.85 0.30 -0.08 0.00 1.72 0.00 0.00 39.33 43.11 1sxt h ASP 156 CO 0.21 -0.49 0.71 -0.07 -2.88 0.00 0.00 179.24 176.71 1sxt h LEU 157 N -0.74 0.32 0.04 2.28 3.38 -1.34 0.12 115.31 119.37 1sxt h LEU 157 Ca -0.03 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1sxt h LEU 157 Cb 0.65 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sxt h LEU 157 CO -0.03 0.05 -0.30 1.56 0.09 0.00 0.00 178.44 179.81 1sxt h GLN 158 N 0.28 0.08 -0.55 1.13 4.20 -1.60 -2.93 115.11 115.71 1sxt h GLN 158 Ca 0.58 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 59.24 1sxt h GLN 158 Cb 1.71 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.47 1sxt h GLN 158 CO -0.22 1.06 0.20 0.00 -0.67 0.00 0.00 178.83 179.20 1sxt h ALA 159 N -0.01 0.69 0.00 3.87 0.00 0.53 -2.31 119.26 122.03 1sxt h ALA 159 Ca -0.06 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1sxt h ALA 159 Cb 1.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1sxt h ALA 159 CO 0.03 -0.21 -0.43 0.00 0.00 0.00 0.00 179.25 178.63 1sxt h ARG 160 N 0.37 0.00 -0.37 0.00 3.08 -0.96 -3.08 114.38 113.42 1sxt h ARG 160 Ca 0.27 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1sxt h ARG 160 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1sxt h ARG 160 CO -0.28 0.43 0.17 -0.09 -1.07 0.00 0.00 179.97 179.13 1sxt h ARG 161 N 0.00 0.33 -0.30 0.04 9.65 -1.22 -1.54 114.38 121.34 1sxt h ARG 161 Ca -0.00 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1sxt h ARG 161 Cb 0.99 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 1sxt h ARG 161 CO 0.06 0.22 0.13 -0.92 2.80 0.00 0.00 179.97 182.26 1sxt h TYR 162 N 0.34 0.44 0.00 2.20 3.20 -1.45 -0.51 116.97 121.19 1sxt h TYR 162 Ca 0.16 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1sxt h TYR 162 Cb 0.10 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1sxt h TYR 162 CO -0.12 0.41 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.72 1sxt h LEU 163 N 0.34 0.00 0.05 2.82 3.38 -1.45 0.47 115.31 120.92 1sxt h LEU 163 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1sxt h LEU 163 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sxt h LEU 163 CO -0.01 0.03 -0.62 -0.61 0.09 0.00 0.00 178.44 177.32 1sxt h GLN 164 N 0.00 0.33 0.31 1.13 5.75 -0.21 -2.36 115.11 120.06 1sxt h GLN 164 Ca -0.00 -0.42 -0.02 0.00 -0.15 0.00 0.00 58.65 58.06 1sxt h GLN 164 Cb 0.13 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1sxt h GLN 164 CO 0.00 1.13 -0.15 0.93 -2.65 0.00 0.00 178.83 178.09 1sxt h GLU 165 N -0.27 -0.40 0.00 1.69 5.08 0.46 0.28 114.58 121.43 1sxt h GLU 165 Ca -0.09 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1sxt h GLU 165 Cb 1.38 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1sxt h GLU 165 CO 0.12 -0.26 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.40 1sxt h LYS 166 N -0.64 0.00 0.00 2.33 1.63 -0.35 -3.36 116.57 116.18 1sxt h LYS 166 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1sxt h LYS 166 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1sxt h LYS 166 CO 0.07 0.25 0.00 0.66 -3.45 0.00 0.00 179.45 176.98 1sxt n TYR 167 N -3.98 0.00 -4.28 1.91 4.01 -0.97 -5.03 117.16 108.82 1sxt n TYR 167 Ca -0.02 -0.13 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 1sxt n TYR 167 Cb 0.32 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 1sxt n TYR 167 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1sxt n ASN 168 N -0.13 -2.44 -0.29 7.72 3.02 0.99 -4.56 115.26 119.58 1sxt n ASN 168 Ca 0.00 -1.04 0.05 0.00 -0.03 0.00 0.00 54.58 53.55 1sxt n ASN 168 Cb 0.19 -2.06 0.14 0.00 -0.61 0.00 0.00 39.78 37.44 1sxt n ASN 168 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sxt h LEU 169 N -1.06 -0.64 -3.61 3.41 5.85 -1.62 -0.88 115.31 116.76 1sxt h LEU 169 Ca -0.56 0.24 -0.45 0.00 0.84 0.00 0.00 57.88 57.95 1sxt h LEU 169 Cb 1.36 0.47 -0.22 0.00 0.37 0.00 0.00 40.66 42.65 1sxt h LEU 169 CO 0.80 -0.26 0.57 -1.22 -0.34 0.00 0.00 178.44 177.99 1sxt n TYR 170 N -5.49 2.30 -4.01 1.25 4.01 -1.26 -4.86 117.16 109.10 1sxt n TYR 170 Ca 0.14 -2.07 -0.29 0.00 -0.16 0.00 0.00 57.90 55.51 1sxt n TYR 170 Cb 0.47 -1.02 -0.05 0.00 -0.31 0.00 0.00 39.34 38.43 1sxt n TYR 170 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1sxt s ASN 171 N -0.73 5.81 0.35 7.72 0.01 -0.33 -4.76 114.94 123.00 1sxt s ASN 171 Ca 0.45 0.06 -0.28 0.00 -0.71 0.00 0.00 52.86 52.37 1sxt s ASN 171 Cb 0.36 -1.64 -0.11 0.00 0.41 0.00 0.00 41.25 40.28 1sxt s ASN 171 CO 0.03 0.14 1.37 -0.44 -1.51 0.00 0.00 177.10 176.69 1sxt s SER 172 N -2.62 6.62 0.66 -1.22 0.01 -1.26 -4.02 113.70 111.87 1sxt s SER 172 Ca 0.31 2.82 0.16 0.00 1.31 0.00 0.00 55.95 60.55 1sxt s SER 172 Cb -0.12 -2.66 0.82 0.00 0.21 0.00 0.00 66.02 64.27 1sxt s SER 172 CO 0.24 -0.66 1.45 0.44 0.41 0.00 0.00 173.24 175.13 1sxt h ASP 173 N 3.28 0.00 1.48 2.44 3.32 -1.95 0.24 116.42 125.22 1sxt h ASP 173 Ca -0.50 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 1sxt h ASP 173 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1sxt h ASP 173 CO 0.65 0.00 -0.53 -0.37 -1.72 0.00 0.00 179.24 177.27 1sxt h VAL 174 N 0.00 0.69 -1.17 -1.35 -1.51 -1.89 -3.30 116.25 107.73 1sxt h VAL 174 Ca 0.04 -2.00 -0.65 0.00 -1.23 0.00 0.00 66.70 62.86 1sxt h VAL 174 Cb 1.46 2.31 -0.34 0.00 -2.13 0.00 0.00 31.29 32.59 1sxt h VAL 174 CO -0.00 0.39 0.29 0.49 -1.23 0.00 0.00 177.57 177.52 1sxt n PHE 175 N -3.16 3.08 -2.07 5.19 3.72 0.82 -4.90 117.46 120.14 1sxt n PHE 175 Ca 0.01 -2.70 -0.13 0.00 -0.05 0.00 0.00 57.45 54.58 1sxt n PHE 175 Cb 0.71 -0.97 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 1sxt n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1sxt n ASP 176 N -0.75 -4.27 -4.30 4.37 8.00 -1.24 -4.70 116.55 113.66 1sxt n ASP 176 Ca 0.54 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.67 1sxt n ASP 176 Cb 0.67 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 1sxt n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sxt n GLY 177 N -1.08 3.29 0.13 0.44 0.00 -1.16 -4.69 105.19 102.13 1sxt n GLY 177 Ca -0.15 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1sxt n GLY 177 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sxt h LYS 178 N 7.00 -0.20 -6.66 1.61 2.10 -1.80 -3.38 116.57 115.23 1sxt h LYS 178 Ca 0.46 0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 58.60 1sxt h LYS 178 Cb 0.80 0.05 0.06 0.00 -0.90 0.00 0.00 32.23 32.23 1sxt h LYS 178 CO 1.56 0.24 1.02 1.33 -2.00 0.00 0.00 179.45 181.59 1sxt n VAL 179 N -4.94 0.02 0.22 0.07 0.24 -1.26 -4.59 118.33 108.09 1sxt n VAL 179 Ca -0.08 -0.01 0.03 0.00 -2.04 0.00 0.00 64.34 62.24 1sxt n VAL 179 Cb 0.27 -2.00 0.01 0.00 -1.47 0.00 0.00 33.84 30.65 1sxt n VAL 179 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sxt n GLN 180 N 3.95 0.76 -3.55 7.34 1.13 -0.41 -4.93 117.38 121.67 1sxt n GLN 180 Ca 0.16 -0.66 -0.17 0.00 -1.94 0.00 0.00 57.00 54.39 1sxt n GLN 180 Cb 0.35 -1.03 -0.06 0.00 0.11 0.00 0.00 30.24 29.61 1sxt n GLN 180 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1sxt s ARG 181 N -0.61 1.00 -0.11 -1.09 0.52 -1.12 -1.60 118.95 115.93 1sxt s ARG 181 Ca 0.05 0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 1sxt s ARG 181 Cb 0.04 0.48 0.12 0.00 0.52 0.00 0.00 34.95 36.11 1sxt s ARG 181 CO 0.09 -0.28 1.01 0.20 0.02 0.00 0.00 175.30 176.34 1sxt s GLY 182 N -0.87 -0.33 -0.01 -3.53 0.00 -1.26 -1.69 107.32 99.62 1sxt s GLY 182 Ca -0.09 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1sxt s GLY 182 CO 0.08 0.67 0.00 -2.27 0.00 0.00 0.00 173.10 171.58 1sxt s LEU 183 N -1.84 1.67 -0.09 0.66 2.96 -0.69 -0.30 118.68 121.05 1sxt s LEU 183 Ca 0.03 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1sxt s LEU 183 Cb -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.59 1sxt s LEU 183 CO -0.04 -0.04 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.32 1sxt s ILE 184 N 0.37 3.17 -0.09 6.68 2.07 -0.33 -1.18 121.20 131.90 1sxt s ILE 184 Ca -0.03 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.56 1sxt s ILE 184 Cb -0.05 -2.29 0.02 0.00 0.13 0.00 0.00 42.46 40.27 1sxt s ILE 184 CO -0.01 0.56 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.79 1sxt s VAL 185 N -0.27 1.11 -1.14 4.00 1.01 0.88 -0.15 120.40 125.84 1sxt s VAL 185 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1sxt s VAL 185 Cb -0.13 -1.07 0.26 0.00 0.00 0.00 0.00 36.38 35.44 1sxt s VAL 185 CO 0.03 0.37 1.24 0.49 0.00 0.00 0.00 175.10 177.23 1sxt n PHE 186 N 4.43 4.86 -2.06 5.22 3.01 0.12 -0.51 117.46 132.53 1sxt n PHE 186 Ca -0.17 -3.64 -0.43 0.00 1.01 0.00 0.00 57.45 54.22 1sxt n PHE 186 Cb 0.51 -1.77 -0.03 0.00 -0.01 0.00 0.00 39.48 38.18 1sxt n PHE 186 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1sxt s HIS 187 N -0.82 1.99 0.04 1.38 2.46 -0.57 -2.49 115.29 117.29 1sxt s HIS 187 Ca 0.34 0.51 0.04 0.00 0.47 0.00 0.00 55.06 56.42 1sxt s HIS 187 Cb -0.06 -4.02 -0.04 0.00 -0.13 0.00 0.00 32.58 28.33 1sxt s HIS 187 CO -0.04 -3.09 -0.04 -0.08 -2.47 0.00 0.00 174.74 169.02 1sxt s THR 188 N 5.54 3.82 -2.00 0.89 -1.32 -1.26 -1.95 115.64 119.35 1sxt s THR 188 Ca 0.74 -0.86 0.01 0.00 -1.21 0.00 0.00 61.69 60.37 1sxt s THR 188 Cb -0.25 -2.73 0.04 0.00 -1.51 0.00 0.00 72.50 68.04 1sxt s THR 188 CO 0.31 0.28 0.33 -0.24 -2.21 0.00 0.00 174.62 173.09 1sxt n SER 189 N 1.14 0.00 0.00 8.08 2.88 -1.22 -4.36 113.62 120.14 1sxt n SER 189 Ca -0.14 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1sxt n SER 189 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1sxt n SER 189 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1sxt n THR 190 N -0.61 0.00 -1.51 2.46 -2.24 -1.26 -5.11 114.28 106.00 1sxt n THR 190 Ca 0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1sxt n THR 190 Cb 0.00 -0.01 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1sxt n THR 190 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sxt s GLU 191 N 0.00 1.62 0.15 -0.78 4.04 -1.26 -4.96 118.70 117.50 1sxt s GLU 191 Ca 0.00 0.52 -0.31 0.00 0.04 0.00 0.00 54.97 55.21 1sxt s GLU 191 Cb 0.00 -1.87 -0.11 0.00 0.02 0.00 0.00 34.13 32.17 1sxt s GLU 191 CO 0.00 -1.92 1.76 -1.25 -1.84 0.00 0.00 175.26 172.02 1sxt s PRO 192 N -5.18 4.14 0.53 -4.83 0.04 -1.26 -4.46 135.00 123.98 1sxt s PRO 192 Ca 0.62 2.57 -0.20 0.00 0.04 0.00 0.00 61.00 64.03 1sxt s PRO 192 Cb -0.15 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 1sxt s PRO 192 CO 0.54 -0.79 0.72 -1.13 0.04 0.00 0.00 177.00 176.38 1sxt n SER 193 N 4.99 -0.19 -4.80 6.66 3.41 -1.26 -4.88 113.62 117.54 1sxt n SER 193 Ca 0.17 0.82 -0.37 0.00 -0.26 0.00 0.00 58.87 59.23 1sxt n SER 193 Cb 0.37 -1.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.01 1sxt n SER 193 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sxt s VAL 194 N -1.56 5.31 -0.01 -3.33 1.01 -1.04 -4.93 120.40 115.85 1sxt s VAL 194 Ca 0.69 0.48 0.05 0.00 0.00 0.00 0.00 61.98 63.20 1sxt s VAL 194 Cb -0.48 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1sxt s VAL 194 CO 0.53 0.50 -0.18 0.20 0.00 0.00 0.00 175.10 176.16 1sxt s ASN 195 N -0.32 2.09 0.11 3.32 0.01 -1.26 0.15 114.94 119.05 1sxt s ASN 195 Ca 0.17 -0.32 0.09 0.00 -0.71 0.00 0.00 52.86 52.08 1sxt s ASN 195 Cb -0.13 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 1sxt s ASN 195 CO 0.05 0.22 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.34 1sxt s TYR 196 N -0.40 1.87 -0.33 2.20 2.02 0.78 -4.99 117.35 118.50 1sxt s TYR 196 Ca 0.06 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 1sxt s TYR 196 Cb -0.07 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1sxt s TYR 196 CO -0.01 0.24 0.30 0.34 -1.57 0.00 0.00 175.55 174.86 1sxt s ASP 197 N -2.02 6.12 0.11 2.29 -1.08 -1.26 -1.18 116.67 119.66 1sxt s ASP 197 Ca 0.09 -0.28 0.05 0.00 -0.52 0.00 0.00 52.55 51.89 1sxt s ASP 197 Cb -0.10 -2.17 0.28 0.00 -1.46 0.00 0.00 42.92 39.48 1sxt s ASP 197 CO 0.05 -0.27 1.02 0.18 0.52 0.00 0.00 175.17 176.67 1sxt n LEU 198 N 5.24 0.14 0.00 -1.34 4.77 0.58 -1.18 117.00 125.21 1sxt n LEU 198 Ca -0.11 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1sxt n LEU 198 Cb 0.50 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1sxt n LEU 198 CO 0.38 -0.47 0.23 0.49 -1.33 0.00 0.00 177.39 176.69 1sxt n PHE 199 N -1.60 0.00 0.49 -1.77 3.72 -1.26 -4.87 117.46 112.16 1sxt n PHE 199 Ca -0.00 -0.10 -0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1sxt n PHE 199 Cb 0.20 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 38.82 1sxt n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sxt n GLY 200 N -0.10 2.09 3.83 1.37 0.00 -0.33 -4.87 105.19 107.17 1sxt n GLY 200 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1sxt n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxt s ALA 201 N -1.29 2.82 -0.12 4.61 0.00 -1.26 -4.99 121.76 121.54 1sxt s ALA 201 Ca 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1sxt s ALA 201 Cb 0.11 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1sxt s ALA 201 CO 0.04 -0.93 -0.07 -0.65 0.00 0.00 0.00 175.76 174.15 1sxt s GLN 202 N -4.79 3.28 0.24 0.00 -1.52 -1.26 -5.01 119.66 110.60 1sxt s GLN 202 Ca 0.59 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 53.43 1sxt s GLN 202 Cb -0.13 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 1sxt s GLN 202 CO 0.49 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 176.32 1sxt n GLY 203 N 3.07 -1.77 0.00 3.09 0.00 -1.26 -3.24 105.19 105.08 1sxt n GLY 203 Ca -0.18 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1sxt n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxt n GLN 204 N 0.00 -0.08 -4.31 1.61 10.64 -1.26 -4.77 117.38 119.21 1sxt n GLN 204 Ca 0.00 -0.24 -0.20 0.00 -1.83 0.00 0.00 57.00 54.73 1sxt n GLN 204 Cb 0.00 -0.63 -0.11 0.00 -0.86 0.00 0.00 30.24 28.64 1sxt n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1sxt s TYR 205 N -0.05 1.68 0.55 2.61 2.02 -1.26 -3.87 117.35 119.03 1sxt s TYR 205 Ca 0.00 -0.52 0.36 0.00 -0.37 0.00 0.00 57.07 56.55 1sxt s TYR 205 Cb 0.00 -0.84 1.54 0.00 -0.40 0.00 0.00 41.96 42.27 1sxt s TYR 205 CO 0.00 0.29 1.80 0.77 -1.57 0.00 0.00 175.55 176.84 1sxt h SER 206 N 3.16 0.00 -0.22 2.29 0.02 -1.94 -1.40 113.55 115.46 1sxt h SER 206 Ca -0.41 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1sxt h SER 206 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1sxt h SER 206 CO 0.53 0.00 0.15 -1.13 -1.14 0.00 0.00 176.83 175.25 1sxt h ASN 207 N 0.00 0.09 0.00 3.07 -0.73 -1.92 -1.82 115.58 114.26 1sxt h ASN 207 Ca 0.55 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.59 1sxt h ASN 207 Cb 2.24 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 40.79 1sxt h ASN 207 CO -0.01 0.06 -1.51 0.35 -0.37 0.00 0.00 177.43 175.95 1sxt n THR 208 N -4.49 0.51 -0.14 -3.57 -2.24 -0.69 -4.38 114.28 99.28 1sxt n THR 208 Ca 0.02 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1sxt n THR 208 Cb 0.23 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.65 1sxt n THR 208 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sxt h LEU 209 N 0.00 0.85 -0.04 3.22 3.38 -1.27 -2.96 115.31 118.49 1sxt h LEU 209 Ca -0.20 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1sxt h LEU 209 Cb 1.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1sxt h LEU 209 CO 0.01 1.03 -0.01 0.18 0.09 0.00 0.00 178.44 179.75 1sxt n LEU 210 N -4.27 0.07 0.28 1.67 4.77 -0.69 -3.79 117.00 115.04 1sxt n LEU 210 Ca -0.01 0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.24 1sxt n LEU 210 Cb 0.39 -0.12 0.79 0.00 -2.33 0.00 0.00 43.42 42.15 1sxt n LEU 210 CO 0.44 0.01 1.02 -0.09 -1.33 0.00 0.00 177.39 177.44 1sxt h ARG 211 N 0.10 0.00 -0.75 3.23 2.43 -1.71 -3.06 114.38 114.62 1sxt h ARG 211 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1sxt h ARG 211 Cb 0.15 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1sxt h ARG 211 CO 0.00 0.05 0.49 -0.84 -1.51 0.00 0.00 179.97 178.16 1sxt h ILE 212 N 0.00 0.89 -0.03 1.20 3.07 -1.77 -1.23 117.51 119.65 1sxt h ILE 212 Ca -0.00 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.21 1sxt h ILE 212 Cb 0.39 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 1sxt h ILE 212 CO 0.01 0.11 0.00 -1.22 -1.05 0.00 0.00 178.15 175.99 1sxt n TYR 213 N -4.50 0.03 0.32 0.16 4.01 -1.15 -4.14 117.16 111.88 1sxt n TYR 213 Ca 0.13 -0.01 0.20 0.00 -0.16 0.00 0.00 57.90 58.05 1sxt n TYR 213 Cb 0.39 0.00 1.05 0.00 -0.31 0.00 0.00 39.34 40.47 1sxt n TYR 213 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1sxt h ARG 214 N 0.85 0.00 0.00 -0.72 2.43 -1.40 -1.88 114.38 113.66 1sxt h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sxt h ARG 214 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1sxt h ARG 214 CO 0.00 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.06 1sxt n ASP 215 N -3.14 0.00 -4.04 -3.80 5.68 -1.26 -1.56 116.55 108.43 1sxt n ASP 215 Ca -0.02 -0.32 -0.33 0.00 -0.50 0.00 0.00 54.79 53.62 1sxt n ASP 215 Cb 0.19 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1sxt n ASP 215 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1sxt n ASN 216 N -1.20 -3.12 -4.61 -1.12 5.15 -0.71 -4.85 115.26 104.81 1sxt n ASN 216 Ca 0.15 -0.86 -0.43 0.00 -0.60 0.00 0.00 54.58 52.84 1sxt n ASN 216 Cb 0.18 -2.58 -0.03 0.00 -0.53 0.00 0.00 39.78 36.82 1sxt n ASN 216 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1sxt s LYS 217 N -6.72 3.42 0.14 1.20 2.47 -1.26 -4.92 119.74 114.07 1sxt s LYS 217 Ca 0.67 1.69 0.05 0.00 -1.56 0.00 0.00 55.97 56.82 1sxt s LYS 217 Cb -0.37 -4.21 -0.04 0.00 -1.46 0.00 0.00 37.83 31.76 1sxt s LYS 217 CO 0.82 -1.76 0.11 0.95 0.16 0.00 0.00 175.35 175.63 1sxt s THR 218 N 6.78 4.45 0.25 3.43 -4.23 -1.26 -1.57 115.64 123.48 1sxt s THR 218 Ca 0.84 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1sxt s THR 218 Cb -0.27 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 1sxt s THR 218 CO 0.34 -0.05 0.10 0.27 -0.54 0.00 0.00 174.62 174.73 1sxt s ILE 219 N -1.66 0.48 -0.04 2.99 -4.36 0.16 -4.91 121.20 113.86 1sxt s ILE 219 Ca 0.30 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1sxt s ILE 219 Cb -0.11 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1sxt s ILE 219 CO 0.23 -0.02 0.91 0.21 0.24 0.00 0.00 174.94 176.50 1sxt s ASN 220 N -3.28 7.24 0.00 4.36 3.84 -1.26 -0.72 114.94 125.13 1sxt s ASN 220 Ca 0.37 1.51 0.03 0.00 0.21 0.00 0.00 52.86 54.98 1sxt s ASN 220 Cb 0.08 -2.52 -0.25 0.00 -0.55 0.00 0.00 41.25 38.00 1sxt s ASN 220 CO 0.13 -0.25 0.85 0.77 -2.79 0.00 0.00 177.10 175.81 1sxt h SER 221 N 6.85 0.21 -3.25 -4.21 4.64 -0.83 -3.42 113.55 113.54 1sxt h SER 221 Ca -0.39 -0.32 -0.53 0.00 -0.47 0.00 0.00 61.79 60.08 1sxt h SER 221 Cb 1.20 -0.07 0.07 0.00 -0.31 0.00 0.00 62.40 63.29 1sxt h SER 221 CO 0.77 1.27 0.85 -0.70 -0.87 0.00 0.00 176.83 178.15 1sxt s GLU 222 N -2.63 4.18 -1.39 4.77 2.12 -1.26 -3.15 118.70 121.34 1sxt s GLU 222 Ca -0.07 2.47 -0.06 0.00 0.36 0.00 0.00 54.97 57.67 1sxt s GLU 222 Cb 0.08 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.43 1sxt s GLU 222 CO 0.83 -0.57 0.86 0.09 -0.54 0.00 0.00 175.26 175.94 1sxt n ASN 223 N 2.53 -2.98 -3.96 -1.70 5.03 -1.26 -4.77 115.26 108.15 1sxt n ASN 223 Ca 0.09 -0.77 -0.08 0.00 0.87 0.00 0.00 54.58 54.69 1sxt n ASN 223 Cb 0.38 -4.14 -0.08 0.00 -1.02 0.00 0.00 39.78 34.92 1sxt n ASN 223 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sxt s MET 224 N -6.20 0.77 0.12 3.52 0.23 -1.19 -3.41 119.30 113.14 1sxt s MET 224 Ca 0.29 -1.08 -0.02 0.00 -1.03 0.00 0.00 55.69 53.85 1sxt s MET 224 Cb -0.14 0.29 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 1sxt s MET 224 CO 0.81 -0.21 0.18 -2.39 -2.03 0.00 0.00 175.02 171.38 1sxt n HIS 225 N -0.00 -0.94 -4.32 3.16 1.44 -0.82 -4.34 115.22 109.40 1sxt n HIS 225 Ca -0.14 -0.72 -0.21 0.00 -2.01 0.00 0.00 57.72 54.64 1sxt n HIS 225 Cb 0.62 0.21 -0.13 0.00 0.12 0.00 0.00 29.99 30.81 1sxt n HIS 225 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sxt s ILE 226 N -2.60 1.36 -0.09 0.61 1.01 0.37 -1.51 121.20 120.35 1sxt s ILE 226 Ca 0.08 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.49 1sxt s ILE 226 Cb -0.01 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1sxt s ILE 226 CO 0.06 -0.06 -0.19 -1.81 0.00 0.00 0.00 174.94 172.94 1sxt s ASP 227 N -1.54 2.61 -0.11 3.58 1.01 0.34 -0.05 116.67 122.51 1sxt s ASP 227 Ca 0.03 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1sxt s ASP 227 Cb -0.09 -1.20 0.02 0.00 1.01 0.00 0.00 42.92 42.66 1sxt s ASP 227 CO 0.02 0.10 -0.13 -0.63 0.21 0.00 0.00 175.17 174.74 1sxt s ILE 228 N 0.54 1.37 -0.22 0.77 1.01 0.47 -0.08 121.20 125.06 1sxt s ILE 228 Ca -0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 1sxt s ILE 228 Cb -0.17 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1sxt s ILE 228 CO 0.05 0.42 -0.08 -0.31 0.00 0.00 0.00 174.94 175.02 1sxt s TYR 229 N 1.08 2.97 0.06 3.97 1.51 -0.32 -1.03 117.35 125.57 1sxt s TYR 229 Ca -0.05 -1.32 0.06 0.00 -1.01 0.00 0.00 57.07 54.75 1sxt s TYR 229 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1sxt s TYR 229 CO -0.02 -0.67 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.10 1sxt s LEU 230 N 1.38 2.86 -0.04 -1.29 1.43 0.52 -1.70 118.68 121.83 1sxt s LEU 230 Ca 0.03 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1sxt s LEU 230 Cb -0.15 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1sxt s LEU 230 CO -0.06 0.23 -0.02 -0.31 0.23 0.00 0.00 176.35 176.43 1sxt s TYR 231 N -1.04 0.54 -0.42 0.29 2.02 -0.69 -1.01 117.35 117.05 1sxt s TYR 231 Ca 0.17 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1sxt s TYR 231 Cb -0.11 -0.58 0.58 0.00 -0.40 0.00 0.00 41.96 41.46 1sxt s TYR 231 CO 0.08 -0.19 1.85 0.25 -1.57 0.00 0.00 175.55 175.98 1sxt n THR 232 N 4.29 3.04 -0.97 -0.71 -2.24 -1.26 -1.29 114.28 115.14 1sxt n THR 232 Ca -0.22 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 1sxt n THR 232 Cb 0.50 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1sxt n THR 232 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30