#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f64 n HIS 4 N 0.00 -1.86 -2.06 4.41 -0.00 -1.26 -4.97 115.22 109.48 2f64 n HIS 4 Ca 0.00 0.43 -0.32 0.00 -0.00 0.00 0.00 57.72 57.83 2f64 n HIS 4 Cb 0.00 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 26.59 2f64 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f64 s HIS 5 N -3.49 3.29 0.34 4.41 4.02 -1.26 -5.02 115.29 117.59 2f64 s HIS 5 Ca 0.46 1.44 -0.29 0.00 1.02 0.00 0.00 55.06 57.69 2f64 s HIS 5 Cb -0.17 -2.86 -0.11 0.00 -1.02 0.00 0.00 32.58 28.42 2f64 s HIS 5 CO 0.87 -0.79 1.53 -1.58 1.02 0.00 0.00 174.74 175.79 2f64 s HIS 6 N -2.74 2.66 -0.13 1.40 5.65 -1.26 -5.01 115.29 115.86 2f64 s HIS 6 Ca 0.59 1.01 0.03 0.00 0.25 0.00 0.00 55.06 56.94 2f64 s HIS 6 Cb -0.13 -4.04 0.01 0.00 -1.18 0.00 0.00 32.58 27.24 2f64 s HIS 6 CO 0.41 -3.24 -0.22 -1.58 -0.65 0.00 0.00 174.74 169.45 2f64 s HIS 7 N -0.65 2.65 0.00 3.88 2.46 -1.26 -5.30 115.29 117.07 2f64 s HIS 7 Ca 0.57 -1.29 0.00 0.00 0.47 0.00 0.00 55.06 54.82 2f64 s HIS 7 Cb -0.47 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 2f64 s HIS 7 CO 0.57 -0.57 0.00 1.58 -2.47 0.00 0.00 174.74 173.84 2f64 n HIS 8 N 3.96 0.00 -4.30 3.88 -0.00 -1.26 -5.26 115.22 112.24 2f64 n HIS 8 Ca -0.20 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.32 2f64 n HIS 8 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.38 2f64 n HIS 8 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2f64 s ARG 10 N 0.07 0.95 -0.02 1.57 0.52 -1.26 -5.05 118.95 115.74 2f64 s ARG 10 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2f64 s ARG 10 Cb 0.00 -1.01 0.01 0.00 0.52 0.00 0.00 34.95 34.47 2f64 s ARG 10 CO 0.00 0.24 -0.02 0.15 0.02 0.00 0.00 175.30 175.69 2f64 s LYS 11 N -1.47 0.34 -0.09 3.54 1.02 -1.26 -4.48 119.74 117.34 2f64 s LYS 11 Ca 0.01 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 55.98 2f64 s LYS 11 Cb -0.09 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 2f64 s LYS 11 CO 0.02 -0.01 -0.16 0.42 -0.92 0.00 0.00 175.35 174.70 2f64 s ILE 12 N 0.41 1.47 -0.04 2.17 1.01 -1.26 -0.72 121.20 124.24 2f64 s ILE 12 Ca -0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 2f64 s ILE 12 Cb -0.07 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2f64 s ILE 12 CO -0.01 0.43 1.02 -0.47 0.00 0.00 0.00 174.94 175.92 2f64 s TYR 13 N 0.76 3.56 -0.96 3.97 5.04 -0.21 -0.40 117.35 129.11 2f64 s TYR 13 Ca -0.12 1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 55.99 2f64 s TYR 13 Cb -0.16 -3.19 0.24 0.00 0.35 0.00 0.00 41.96 39.20 2f64 s TYR 13 CO 0.02 -0.27 0.95 0.42 -1.34 0.00 0.00 175.55 175.33 2f64 s ILE 14 N 1.46 5.72 0.06 3.14 -1.09 -0.24 -1.77 121.20 128.47 2f64 s ILE 14 Ca 0.51 -2.83 -0.18 0.00 -2.23 0.00 0.00 60.65 55.92 2f64 s ILE 14 Cb -0.21 -4.55 -0.06 0.00 -1.58 0.00 0.00 42.46 36.05 2f64 s ILE 14 CO 0.24 -1.13 0.54 0.00 -1.23 0.00 0.00 174.94 173.36 2f64 s ALA 15 N -0.26 3.61 0.00 9.38 0.00 -0.82 -4.40 121.76 129.27 2f64 s ALA 15 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2f64 s ALA 15 Cb -0.10 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2f64 s ALA 15 CO -0.08 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2f64 n GLY 16 N 1.73 3.42 0.07 0.00 0.00 -1.26 -0.86 105.19 108.28 2f64 n GLY 16 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2f64 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f64 n PRO 17 N -1.37 0.91 -0.04 1.61 -0.04 -1.26 -4.00 135.00 130.80 2f64 n PRO 17 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 2f64 n PRO 17 Cb 0.00 -1.06 0.62 0.00 -0.04 0.00 0.00 33.50 33.01 2f64 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f64 h ALA 18 N 2.68 2.33 -0.27 0.55 0.00 -1.95 -0.74 119.26 121.85 2f64 h ALA 18 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2f64 h ALA 18 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f64 h ALA 18 CO 0.00 -0.48 0.38 -0.24 0.00 0.00 0.00 179.25 178.91 2f64 h VAL 19 N 0.15 0.29 -0.02 0.00 3.04 -1.91 -0.04 116.25 117.77 2f64 h VAL 19 Ca 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.96 2f64 h VAL 19 Cb 0.88 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2f64 h VAL 19 CO -0.04 0.00 -0.03 0.49 -1.01 0.00 0.00 177.57 176.98 2f64 n PHE 20 N -3.51 0.00 -1.29 3.17 3.72 -0.28 -4.34 117.46 114.92 2f64 n PHE 20 Ca 0.04 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.11 2f64 n PHE 20 Cb 0.52 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.15 2f64 n PHE 20 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2f64 s ASN 21 N -2.05 4.04 0.36 4.37 0.01 -0.10 -4.89 114.94 116.67 2f64 s ASN 21 Ca 0.35 2.24 0.13 0.00 -0.71 0.00 0.00 52.86 54.87 2f64 s ASN 21 Cb 0.21 -2.57 0.97 0.00 0.41 0.00 0.00 41.25 40.26 2f64 s ASN 21 CO 0.35 -2.36 1.77 -0.65 -1.51 0.00 0.00 177.10 174.70 2f64 h PRO 22 N -0.67 0.51 0.00 -0.60 0.11 -1.91 -3.36 132.00 126.07 2f64 h PRO 22 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f64 h PRO 22 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2f64 h PRO 22 CO 0.48 0.34 -0.26 0.38 -0.21 0.00 0.00 178.00 178.74 2f64 h ASP 23 N 0.52 0.00 0.00 -2.05 2.03 -1.91 -3.50 116.42 111.51 2f64 h ASP 23 Ca 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.89 2f64 h ASP 23 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2f64 h ASP 23 CO -0.34 0.56 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 2f64 n GLY 25 N 1.71 0.00 0.19 7.15 0.00 -0.75 -4.75 105.19 108.74 2f64 n GLY 25 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2f64 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f64 h ALA 26 N 0.00 0.42 -0.61 4.61 0.00 -1.94 0.21 119.26 121.95 2f64 h ALA 26 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2f64 h ALA 26 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2f64 h ALA 26 CO 0.00 -0.40 0.27 0.66 0.00 0.00 0.00 179.25 179.78 2f64 h SER 27 N 0.08 0.82 0.19 0.00 4.64 -1.97 0.21 113.55 117.52 2f64 h SER 27 Ca 0.24 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2f64 h SER 27 Cb 0.36 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2f64 h SER 27 CO -0.42 0.74 -0.09 0.22 -0.87 0.00 0.00 176.83 176.40 2f64 h TYR 28 N 0.84 -0.23 -0.34 4.77 3.20 -1.78 -2.69 116.97 120.74 2f64 h TYR 28 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2f64 h TYR 28 Cb 0.15 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2f64 h TYR 28 CO 0.00 0.04 0.00 1.88 -1.64 0.00 0.00 178.16 178.44 2f64 h TYR 29 N -0.49 0.54 -0.55 -3.82 0.05 -0.48 -1.56 116.97 110.65 2f64 h TYR 29 Ca -0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2f64 h TYR 29 Cb 0.37 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 2f64 h TYR 29 CO 0.00 0.53 0.28 -0.91 -1.05 0.00 0.00 178.16 177.01 2f64 h ASN 30 N 0.50 0.71 -0.66 3.88 2.35 -0.57 0.11 115.58 121.89 2f64 h ASN 30 Ca 0.11 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2f64 h ASN 30 Cb 0.32 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2f64 h ASN 30 CO 0.01 0.62 0.26 0.11 -1.65 0.00 0.00 177.43 176.78 2f64 h LYS 31 N 0.74 1.00 -0.15 0.81 1.57 -1.09 -1.54 116.57 117.90 2f64 h LYS 31 Ca 0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f64 h LYS 31 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2f64 h LYS 31 CO -0.03 0.84 0.09 0.28 -0.57 0.00 0.00 179.45 180.07 2f64 h VAL 32 N 0.94 1.06 -0.61 0.50 2.07 -1.04 -1.77 116.25 117.40 2f64 h VAL 32 Ca 0.22 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2f64 h VAL 32 Cb 0.22 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2f64 h VAL 32 CO -0.02 0.05 0.33 0.03 0.02 0.00 0.00 177.57 177.99 2f64 h ARG 33 N 0.18 0.60 -0.50 1.57 3.08 -0.55 -1.06 114.38 117.70 2f64 h ARG 33 Ca 0.05 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2f64 h ARG 33 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2f64 h ARG 33 CO -0.01 0.40 0.03 0.93 -1.07 0.00 0.00 179.97 180.24 2f64 h GLU 34 N 0.62 0.87 -0.27 0.04 4.39 -1.12 -0.94 114.58 118.16 2f64 h GLU 34 Ca 0.27 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2f64 h GLU 34 Cb 0.17 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2f64 h GLU 34 CO -0.18 0.89 0.04 1.25 -1.16 0.00 0.00 179.01 179.85 2f64 h LEU 35 N 0.74 0.44 -0.49 1.33 5.85 -1.01 -3.22 115.31 118.94 2f64 h LEU 35 Ca 0.15 -0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 2f64 h LEU 35 Cb 0.48 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2f64 h LEU 35 CO 0.02 0.59 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.98 2f64 h LEU 36 N 0.26 0.45 -1.12 2.25 4.07 -1.16 -3.18 115.31 116.88 2f64 h LEU 36 Ca 0.08 -0.27 0.15 0.00 0.08 0.00 0.00 57.88 57.92 2f64 h LEU 36 Cb 0.35 -0.13 -0.09 0.00 1.08 0.00 0.00 40.66 41.87 2f64 h LEU 36 CO 0.01 0.98 0.61 0.50 -1.08 0.00 0.00 178.44 179.46 2f64 h LYS 37 N 0.28 0.79 0.00 1.13 1.63 -1.17 -1.03 116.57 118.19 2f64 h LYS 37 Ca -0.02 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2f64 h LYS 37 Cb 1.21 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2f64 h LYS 37 CO 0.11 0.52 -0.03 0.87 -3.45 0.00 0.00 179.45 177.48 2f64 h LYS 38 N 0.81 0.00 -0.41 1.90 1.57 -1.59 -2.52 116.57 116.34 2f64 h LYS 38 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2f64 h LYS 38 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2f64 h LYS 38 CO -0.27 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.03 2f64 n GLU 39 N -4.06 2.90 -3.53 3.15 -0.58 -0.45 -4.97 120.64 113.09 2f64 n GLU 39 Ca -0.03 -2.23 -0.25 0.00 -0.42 0.00 0.00 57.16 54.22 2f64 n GLU 39 Cb 0.11 -1.38 0.05 0.00 -0.57 0.00 0.00 31.44 29.65 2f64 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f64 n ASN 40 N 0.61 -5.79 0.00 1.62 5.15 -0.95 -5.00 115.26 110.90 2f64 n ASN 40 Ca 0.15 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 2f64 n ASN 40 Cb 0.51 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 2f64 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f64 n VAL 41 N -4.76 0.00 -3.89 3.44 0.31 -0.83 -4.20 118.33 108.40 2f64 n VAL 41 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 2f64 n VAL 41 Cb 0.56 -0.13 -0.16 0.00 -0.91 0.00 0.00 33.84 33.21 2f64 n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f64 s PRO 43 N 3.14 0.17 -0.44 5.55 0.04 -1.26 -4.13 135.00 138.06 2f64 s PRO 43 Ca 0.00 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.00 2f64 s PRO 43 Cb 0.00 -0.34 0.07 0.00 0.04 0.00 0.00 34.50 34.28 2f64 s PRO 43 CO 0.00 -0.11 0.32 -0.51 0.04 0.00 0.00 177.00 176.75 2f64 s LEU 44 N 0.80 5.37 -0.15 -3.56 1.43 0.46 -4.91 118.68 118.12 2f64 s LEU 44 Ca -0.07 -1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 51.56 2f64 s LEU 44 Cb -0.11 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2f64 s LEU 44 CO -0.02 -0.59 0.02 -0.63 0.23 0.00 0.00 176.35 175.36 2f64 s ILE 45 N 1.53 4.41 0.53 -0.59 1.01 -1.26 -1.08 121.20 125.74 2f64 s ILE 45 Ca 0.03 -0.18 0.31 0.00 0.00 0.00 0.00 60.65 60.81 2f64 s ILE 45 Cb -0.24 -2.94 0.48 0.00 0.01 0.00 0.00 42.46 39.77 2f64 s ILE 45 CO 0.04 0.50 1.88 -0.65 0.00 0.00 0.00 174.94 176.72 2f64 h PRO 46 N 6.37 0.03 -0.04 2.79 0.11 -1.98 -0.50 132.00 138.78 2f64 h PRO 46 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2f64 h PRO 46 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2f64 h PRO 46 CO 0.65 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2f64 n THR 47 N -4.28 0.04 -1.74 -1.15 -2.24 -1.26 -4.89 114.28 98.76 2f64 n THR 47 Ca 0.19 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2f64 n THR 47 Cb 0.96 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 2f64 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2f64 s ASP 48 N -1.93 6.37 -1.52 3.42 1.01 -0.20 -3.02 116.67 120.80 2f64 s ASP 48 Ca 0.37 2.90 -0.05 0.00 0.71 0.00 0.00 52.55 56.47 2f64 s ASP 48 Cb 0.20 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.57 2f64 s ASP 48 CO 0.32 -0.96 0.42 0.59 0.21 0.00 0.00 175.17 175.75 2f64 n ASN 49 N 3.51 -0.79 -4.73 0.27 4.13 -1.26 -4.79 115.26 111.61 2f64 n ASN 49 Ca 0.14 -1.07 -0.42 0.00 1.68 0.00 0.00 54.58 54.91 2f64 n ASN 49 Cb 0.36 -2.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.95 2f64 n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f64 s GLU 50 N -6.84 4.26 0.83 3.52 2.12 -1.17 -5.01 118.70 116.41 2f64 s GLU 50 Ca 0.20 2.26 -0.11 0.00 0.36 0.00 0.00 54.97 57.69 2f64 s GLU 50 Cb -0.11 -3.16 0.13 0.00 0.26 0.00 0.00 34.13 31.25 2f64 s GLU 50 CO 0.93 -0.49 1.17 0.00 -0.54 0.00 0.00 175.26 176.33 2f64 s ALA 51 N 0.72 2.77 -0.11 6.30 0.00 -1.26 -5.04 121.76 125.13 2f64 s ALA 51 Ca 0.65 -1.12 0.20 0.00 0.00 0.00 0.00 51.96 51.68 2f64 s ALA 51 Cb -0.41 -2.64 -0.26 0.00 0.00 0.00 0.00 23.12 19.80 2f64 s ALA 51 CO 0.35 -1.87 0.40 0.25 0.00 0.00 0.00 175.76 174.89 2f64 n THR 52 N -3.33 0.69 -3.56 0.00 -2.24 -1.26 -4.83 114.28 99.74 2f64 n THR 52 Ca 0.12 -0.66 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 2f64 n THR 52 Cb 0.60 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 2f64 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f64 s GLU 53 N -3.06 3.93 0.19 -0.78 2.02 -1.26 -5.01 118.70 114.73 2f64 s GLU 53 Ca -0.08 0.25 -0.13 0.00 0.02 0.00 0.00 54.97 55.03 2f64 s GLU 53 Cb 0.10 -3.27 0.19 0.00 0.10 0.00 0.00 34.13 31.25 2f64 s GLU 53 CO 0.86 0.58 1.69 0.00 0.02 0.00 0.00 175.26 178.41 2f64 h ALA 54 N 5.31 0.49 -0.30 5.21 0.00 -2.00 -1.86 119.26 126.11 2f64 h ALA 54 Ca -0.49 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2f64 h ALA 54 Cb 1.21 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2f64 h ALA 54 CO 0.65 -0.37 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 2f64 h LEU 55 N 0.14 0.41 -0.25 0.00 3.38 -1.99 -0.73 115.31 116.27 2f64 h LEU 55 Ca 0.25 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2f64 h LEU 55 Cb 0.37 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2f64 h LEU 55 CO -0.40 0.48 -0.35 0.44 0.09 0.00 0.00 178.44 178.70 2f64 h ASP 56 N 0.43 0.75 -0.46 -0.43 3.32 -1.83 -0.98 116.42 117.22 2f64 h ASP 56 Ca 0.10 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2f64 h ASP 56 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2f64 h ASP 56 CO 0.01 1.11 0.29 0.40 -1.72 0.00 0.00 179.24 179.32 2f64 h ILE 57 N 0.40 1.13 -0.10 0.35 2.04 -0.97 -1.07 117.51 119.30 2f64 h ILE 57 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2f64 h ILE 57 Cb 0.94 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2f64 h ILE 57 CO 0.08 0.13 0.06 -0.09 0.00 0.00 0.00 178.15 178.34 2f64 h ARG 58 N 0.62 0.13 -0.68 2.37 2.43 -1.10 -2.01 114.38 116.14 2f64 h ARG 58 Ca 0.17 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2f64 h ARG 58 Cb -0.04 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2f64 h ARG 58 CO -0.03 0.11 0.18 0.37 -1.51 0.00 0.00 179.97 179.09 2f64 h GLN 59 N 0.12 1.07 -0.67 0.20 5.75 -0.98 -0.60 115.11 120.00 2f64 h GLN 59 Ca 0.04 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 2f64 h GLN 59 Cb 0.01 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2f64 h GLN 59 CO -0.01 0.93 0.14 0.87 -2.65 0.00 0.00 178.83 178.12 2f64 h LYS 60 N 1.02 1.07 -0.46 1.69 1.79 -1.12 -0.66 116.57 119.91 2f64 h LYS 60 Ca 0.22 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 2f64 h LYS 60 Cb 0.33 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2f64 h LYS 60 CO -0.00 0.96 -0.15 -0.91 -1.08 0.00 0.00 179.45 178.26 2f64 h ASN 61 N 1.01 0.93 -0.89 0.86 2.35 -0.83 -2.79 115.58 116.23 2f64 h ASN 61 Ca 0.21 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2f64 h ASN 61 Cb 0.38 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2f64 h ASN 61 CO 0.00 1.10 0.57 0.40 -1.65 0.00 0.00 177.43 177.85 2f64 h ILE 62 N 0.75 1.24 0.00 2.81 2.04 -0.94 -2.14 117.51 121.26 2f64 h ILE 62 Ca 0.11 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2f64 h ILE 62 Cb 0.71 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2f64 h ILE 62 CO 0.05 0.24 0.00 1.67 0.00 0.00 0.00 178.15 180.11 2f64 n GLN 63 N -4.44 0.23 0.00 2.37 -0.06 -0.27 -1.31 117.38 113.91 2f64 n GLN 63 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 2f64 n GLN 63 Cb 0.03 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 2f64 n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f64 n ILE 65 N 1.19 0.00 -0.08 1.69 5.41 -0.81 -0.98 119.36 125.78 2f64 n ILE 65 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2f64 n ILE 65 Cb 0.12 0.00 0.36 0.00 -0.71 0.00 0.00 39.64 39.40 2f64 n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f64 h LYS 66 N 0.00 0.71 0.00 0.38 1.57 -1.49 -2.89 116.57 114.86 2f64 h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f64 h LYS 66 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2f64 h LYS 66 CO 0.00 0.47 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.71 2f64 h ASP 67 N 0.73 0.00 -4.40 0.86 3.32 -1.33 -3.47 116.42 112.13 2f64 h ASP 67 Ca 0.20 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.72 2f64 h ASP 67 Cb -0.08 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.53 2f64 h ASP 67 CO -0.04 0.01 0.41 0.00 -1.72 0.00 0.00 179.24 177.90 2f64 n ASP 69 N -2.88 1.04 -3.74 0.00 8.00 0.10 -4.99 116.55 114.09 2f64 n ASP 69 Ca 0.06 0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.77 2f64 n ASP 69 Cb 0.55 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2f64 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f64 s ALA 70 N -2.57 -0.59 -0.14 2.24 0.00 -1.14 -4.93 121.76 114.63 2f64 s ALA 70 Ca -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 2f64 s ALA 70 Cb 0.07 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2f64 s ALA 70 CO 0.81 -0.57 -0.01 0.08 0.00 0.00 0.00 175.76 176.07 2f64 s VAL 71 N -3.76 4.17 -0.27 0.00 1.01 -1.26 -1.04 120.40 119.24 2f64 s VAL 71 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2f64 s VAL 71 Cb 0.03 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2f64 s VAL 71 CO -0.11 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 174.92 2f64 s ILE 72 N 0.03 3.75 -0.16 2.22 1.01 -0.73 -0.55 121.20 126.77 2f64 s ILE 72 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2f64 s ILE 72 Cb -0.13 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2f64 s ILE 72 CO 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 174.94 175.04 2f64 s ALA 73 N 1.48 2.76 -0.74 9.38 0.00 0.50 -1.94 121.76 133.20 2f64 s ALA 73 Ca 0.03 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 2f64 s ALA 73 Cb -0.17 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.56 2f64 s ALA 73 CO 0.01 0.03 1.20 0.34 0.00 0.00 0.00 175.76 177.34 2f64 s ASP 74 N 0.70 6.20 -0.40 0.00 -1.08 -0.04 -1.48 116.67 120.57 2f64 s ASP 74 Ca -0.04 -0.72 0.04 0.00 -0.52 0.00 0.00 52.55 51.31 2f64 s ASP 74 Cb -0.15 -2.52 0.61 0.00 -1.46 0.00 0.00 42.92 39.40 2f64 s ASP 74 CO 0.02 -1.68 1.82 0.18 0.52 0.00 0.00 175.17 176.03 2f64 n LEU 75 N 8.80 6.33 -4.70 -1.34 4.77 0.46 -4.44 117.00 126.87 2f64 n LEU 75 Ca 0.04 -3.37 -0.32 0.00 -0.03 0.00 0.00 56.01 52.34 2f64 n LEU 75 Cb 0.48 -0.80 0.14 0.00 -2.33 0.00 0.00 43.42 40.91 2f64 n LEU 75 CO 0.68 0.98 0.71 -0.44 -1.33 0.00 0.00 177.39 177.99 2f64 s SER 76 N -1.05 3.41 0.23 -1.43 0.01 -1.24 -4.45 113.70 109.18 2f64 s SER 76 Ca 0.51 2.18 -0.31 0.00 1.31 0.00 0.00 55.95 59.64 2f64 s SER 76 Cb 0.43 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.95 2f64 s SER 76 CO 0.10 -2.78 1.27 -0.81 0.41 0.00 0.00 173.24 171.43 2f64 n PRO 77 N -3.81 1.69 -3.75 12.44 -0.04 -1.26 -4.20 135.00 136.07 2f64 n PRO 77 Ca 0.12 0.60 -0.25 0.00 -0.04 0.00 0.00 63.50 63.93 2f64 n PRO 77 Cb 0.52 -2.17 -0.17 0.00 -0.04 0.00 0.00 33.50 31.64 2f64 n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f64 s PHE 78 N -0.31 0.78 -1.39 0.54 5.36 0.10 -4.83 117.98 118.23 2f64 s PHE 78 Ca 0.67 -0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.13 2f64 s PHE 78 Cb -0.71 -0.89 0.03 0.00 -0.34 0.00 0.00 43.02 41.12 2f64 s PHE 78 CO 0.53 -0.45 0.97 0.54 -1.46 0.00 0.00 175.22 175.35 2f64 n ARG 79 N 5.12 -6.15 0.00 10.12 1.74 -1.26 -4.50 116.66 121.72 2f64 n ARG 79 Ca -0.08 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2f64 n ARG 79 Cb 0.49 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 2f64 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f64 n GLY 80 N -1.67 0.72 0.02 -0.13 0.00 -1.26 -4.84 105.19 98.03 2f64 n GLY 80 Ca -0.10 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.08 2f64 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f64 n HIS 81 N 5.31 0.00 -3.49 1.61 8.25 -1.26 -4.61 115.22 121.02 2f64 n HIS 81 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2f64 n HIS 81 Cb 0.00 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 30.75 2f64 n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f64 s GLU 82 N -2.94 3.80 1.08 -0.41 0.41 -1.26 -4.63 118.70 114.75 2f64 s GLU 82 Ca 0.14 0.24 -0.12 0.00 -0.41 0.00 0.00 54.97 54.81 2f64 s GLU 82 Cb 0.18 -2.85 0.23 0.00 -1.78 0.00 0.00 34.13 29.91 2f64 s GLU 82 CO 0.63 0.45 1.06 -2.14 -0.49 0.00 0.00 175.26 174.77 2f64 s PRO 83 N -2.31 -0.21 0.16 0.39 0.02 -1.26 -0.72 135.00 131.07 2f64 s PRO 83 Ca 0.40 0.79 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 2f64 s PRO 83 Cb -0.13 -1.64 -0.09 0.00 0.02 0.00 0.00 34.50 32.66 2f64 s PRO 83 CO 0.20 -3.23 1.45 0.34 -0.33 0.00 0.00 177.00 175.43 2f64 s ASP 84 N -2.89 6.73 0.31 2.53 2.15 -1.26 -4.69 116.67 119.54 2f64 s ASP 84 Ca 0.67 2.48 -0.01 0.00 0.43 0.00 0.00 52.55 56.13 2f64 s ASP 84 Cb -0.22 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.29 2f64 s ASP 84 CO 0.61 -0.70 1.96 0.00 -0.17 0.00 0.00 175.17 176.87 2f64 h GLY 86 N 1.02 0.49 0.93 0.00 0.00 -1.99 0.23 103.07 103.75 2f64 h GLY 86 Ca 0.26 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.32 2f64 h GLY 86 CO -0.05 0.27 0.44 -0.84 0.00 0.00 0.00 176.54 176.36 2f64 h THR 87 N 0.31 1.13 -0.73 4.70 2.02 -1.86 -1.50 112.91 116.98 2f64 h THR 87 Ca 0.09 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2f64 h THR 87 Cb 0.24 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2f64 h THR 87 CO -0.00 0.16 0.44 0.00 0.37 0.00 0.00 175.52 176.49 2f64 h ALA 88 N 1.27 0.92 -0.55 6.16 0.00 -0.92 -0.13 119.26 126.02 2f64 h ALA 88 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2f64 h ALA 88 Cb -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 2f64 h ALA 88 CO -0.08 0.39 0.29 0.35 0.00 0.00 0.00 179.25 180.20 2f64 h PHE 89 N 0.99 0.53 -0.53 0.00 3.57 -0.56 -1.21 116.94 119.74 2f64 h PHE 89 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2f64 h PHE 89 Cb -0.04 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2f64 h PHE 89 CO -0.01 0.26 -0.01 0.93 -2.23 0.00 0.00 178.31 177.25 2f64 h GLU 90 N 0.56 0.90 -0.79 1.11 5.08 -0.63 -0.12 114.58 120.68 2f64 h GLU 90 Ca 0.24 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2f64 h GLU 90 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2f64 h GLU 90 CO -0.16 0.90 0.32 0.28 -1.00 0.00 0.00 179.01 179.35 2f64 h VAL 91 N 0.83 1.26 -0.48 3.13 2.07 -0.73 -1.20 116.25 121.14 2f64 h VAL 91 Ca 0.15 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 2f64 h VAL 91 Cb 0.50 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2f64 h VAL 91 CO 0.02 0.33 -0.03 1.23 0.02 0.00 0.00 177.57 179.14 2f64 h GLY 92 N 1.16 0.93 0.40 2.17 0.00 -0.68 -0.74 103.07 106.31 2f64 h GLY 92 Ca 0.26 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.93 2f64 h GLY 92 CO -0.02 0.65 -0.18 0.00 0.00 0.00 0.00 176.54 177.00 2f64 h ALA 94 N 0.83 1.01 -0.51 0.00 0.00 -1.07 -2.26 119.26 117.26 2f64 h ALA 94 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2f64 h ALA 94 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2f64 h ALA 94 CO -0.27 0.50 0.33 0.00 0.00 0.00 0.00 179.25 179.81 2f64 h ALA 95 N 1.24 0.65 0.00 0.00 0.00 -0.86 -1.25 119.26 119.03 2f64 h ALA 95 Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2f64 h ALA 95 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2f64 h ALA 95 CO -0.05 0.10 -0.22 0.00 0.00 0.00 0.00 179.25 179.09 2f64 h ALA 96 N 1.17 1.64 -0.38 0.00 0.00 -1.04 -2.05 119.26 118.60 2f64 h ALA 96 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f64 h ALA 96 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2f64 h ALA 96 CO -0.04 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2f64 n LEU 97 N -4.28 2.17 -3.04 0.00 4.77 -0.87 -4.93 117.00 110.81 2f64 n LEU 97 Ca -0.02 -1.06 -0.22 0.00 -0.03 0.00 0.00 56.01 54.67 2f64 n LEU 97 Cb 0.28 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2f64 n LEU 97 CO 0.37 0.53 -0.02 0.59 -1.33 0.00 0.00 177.39 177.53 2f64 n ASN 98 N 0.68 -5.63 0.00 -1.43 3.02 -0.77 -5.05 115.26 106.08 2f64 n ASN 98 Ca 0.14 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2f64 n ASN 98 Cb 0.35 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2f64 n ASN 98 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2f64 n LYS 99 N -3.91 0.00 -3.37 3.52 4.76 -0.53 -5.04 118.16 113.59 2f64 n LYS 99 Ca -0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.37 2f64 n LYS 99 Cb 0.61 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.75 2f64 n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f64 s VAL 101 N 0.65 -0.05 -0.07 -0.18 1.01 -1.26 -4.66 120.40 115.84 2f64 s VAL 101 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2f64 s VAL 101 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2f64 s VAL 101 CO 0.00 0.00 -0.23 -0.76 0.00 0.00 0.00 175.10 174.11 2f64 s LEU 102 N 1.68 2.04 0.12 3.92 1.43 0.29 -4.92 118.68 123.24 2f64 s LEU 102 Ca -0.03 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2f64 s LEU 102 Cb -0.01 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2f64 s LEU 102 CO -0.14 0.20 -0.20 0.42 0.23 0.00 0.00 176.35 176.86 2f64 s THR 103 N 0.07 1.71 0.15 5.49 -4.23 -1.26 -0.37 115.64 117.20 2f64 s THR 103 Ca -0.10 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2f64 s THR 103 Cb -0.15 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2f64 s THR 103 CO 0.05 -0.14 0.09 0.72 -0.54 0.00 0.00 174.62 174.81 2f64 s PHE 104 N -1.41 0.87 -0.01 3.99 -0.71 -0.55 -1.33 117.98 118.83 2f64 s PHE 104 Ca 0.08 -1.21 -0.21 0.00 -1.04 0.00 0.00 56.93 54.55 2f64 s PHE 104 Cb -0.09 -0.45 0.04 0.00 -1.21 0.00 0.00 43.02 41.31 2f64 s PHE 104 CO 0.05 -0.56 0.46 -0.08 -1.34 0.00 0.00 175.22 173.74 2f64 s THR 105 N -4.06 0.04 -1.40 -4.49 -1.32 -0.94 -0.41 115.64 103.06 2f64 s THR 105 Ca 0.26 -0.31 0.28 0.00 -1.21 0.00 0.00 61.69 60.71 2f64 s THR 105 Cb 0.07 -0.83 0.48 0.00 -1.51 0.00 0.00 72.50 70.71 2f64 s THR 105 CO 0.03 -0.17 1.98 -1.54 -2.21 0.00 0.00 174.62 172.71 2f64 n SER 106 N 0.93 0.00 -3.51 8.08 3.41 -1.26 -4.50 113.62 116.77 2f64 n SER 106 Ca -0.20 -0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.08 2f64 n SER 106 Cb 0.57 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 2f64 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f64 s ASP 107 N -2.60 2.85 0.00 4.04 -1.08 -1.26 -5.02 116.67 113.61 2f64 s ASP 107 Ca 0.26 -1.05 0.26 0.00 -0.52 0.00 0.00 52.55 51.50 2f64 s ASP 107 Cb 0.19 -0.08 0.86 0.00 -1.46 0.00 0.00 42.92 42.43 2f64 s ASP 107 CO 0.44 -0.41 1.63 0.54 0.52 0.00 0.00 175.17 177.88 2f64 n ARG 108 N 5.27 1.80 -1.65 4.34 3.00 -1.26 -4.93 116.66 123.23 2f64 n ARG 108 Ca -0.05 -1.17 -0.37 0.00 -0.01 0.00 0.00 57.85 56.26 2f64 n ARG 108 Cb 0.44 -1.46 0.08 0.00 0.00 0.00 0.00 32.46 31.52 2f64 n ARG 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2f64 n ARG 109 N 0.41 1.00 0.00 5.56 1.74 -1.26 -4.54 116.66 119.56 2f64 n ARG 109 Ca 0.18 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2f64 n ARG 109 Cb 0.39 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2f64 n ARG 109 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2f64 n ASN 110 N -2.08 0.00 0.00 0.55 0.23 -1.26 -4.06 115.26 108.64 2f64 n ASN 110 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.21 2f64 n ASN 110 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2f64 n ASN 110 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2f64 n ARG 112 N 0.00 0.00 -0.14 -3.83 1.74 -1.26 -1.55 116.66 111.61 2f64 n ARG 112 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2f64 n ARG 112 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2f64 n ARG 112 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2f64 h GLU 113 N 0.00 0.79 -0.30 5.56 5.08 -1.91 0.66 114.58 124.46 2f64 h GLU 113 Ca 0.00 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2f64 h GLU 113 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2f64 h GLU 113 CO 0.00 0.90 0.17 0.87 -1.00 0.00 0.00 179.01 179.95 2f64 h LYS 114 N 0.62 0.41 0.00 2.33 1.57 -1.59 -2.86 116.57 117.05 2f64 h LYS 114 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2f64 h LYS 114 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2f64 h LYS 114 CO 0.04 0.34 -0.17 0.66 -0.57 0.00 0.00 179.45 179.75 2f64 n TYR 115 N -4.83 0.57 -1.09 -1.35 4.01 -1.23 -4.93 117.16 108.31 2f64 n TYR 115 Ca -0.02 0.16 -0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2f64 n TYR 115 Cb 0.07 -0.73 -0.01 0.00 -0.31 0.00 0.00 39.34 38.36 2f64 n TYR 115 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f64 n GLY 116 N 1.37 0.60 3.65 2.72 0.00 0.15 -4.93 105.19 108.74 2f64 n GLY 116 Ca 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 2f64 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f64 s SER 117 N -2.43 -0.12 0.00 1.61 0.15 -0.75 -5.00 113.70 107.17 2f64 s SER 117 Ca 0.00 -0.19 0.29 0.00 0.70 0.00 0.00 55.95 56.75 2f64 s SER 117 Cb 0.00 0.27 1.35 0.00 -1.71 0.00 0.00 66.02 65.92 2f64 s SER 117 CO 0.00 -0.48 1.93 0.61 1.20 0.00 0.00 173.24 176.50 2f64 n GLY 118 N -0.43 -0.93 3.13 9.45 0.00 -1.26 -4.54 105.19 110.61 2f64 n GLY 118 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 2f64 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f64 s VAL 119 N -2.39 0.56 0.34 1.61 -7.23 -1.26 -0.81 120.40 111.22 2f64 s VAL 119 Ca 0.32 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2f64 s VAL 119 Cb 0.20 -1.47 0.07 0.00 0.56 0.00 0.00 36.38 35.74 2f64 s VAL 119 CO 0.45 -0.83 0.46 -0.90 -0.31 0.00 0.00 175.10 173.97 2f64 n ASP 120 N 0.22 0.36 0.31 4.85 5.68 0.18 -4.84 116.55 123.31 2f64 n ASP 120 Ca -0.14 -1.36 0.20 0.00 -0.50 0.00 0.00 54.79 52.98 2f64 n ASP 120 Cb 0.60 -0.32 1.03 0.00 -1.14 0.00 0.00 41.12 41.29 2f64 n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f64 h LYS 121 N 0.00 0.00 -0.51 0.11 2.10 -1.94 -1.56 116.57 114.76 2f64 h LYS 121 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2f64 h LYS 121 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2f64 h LYS 121 CO 0.14 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 2f64 n ASP 122 N -3.26 4.64 -1.10 7.07 8.00 -1.26 -4.95 116.55 125.69 2f64 n ASP 122 Ca -0.02 -2.65 -0.14 0.00 0.71 0.00 0.00 54.79 52.69 2f64 n ASP 122 Cb 0.13 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.62 2f64 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f64 n ASN 123 N 0.57 -4.60 -4.80 -2.24 5.15 -0.59 -5.01 115.26 103.75 2f64 n ASN 123 Ca 0.24 0.30 -0.37 0.00 -0.60 0.00 0.00 54.58 54.14 2f64 n ASN 123 Cb 0.92 -3.35 -0.06 0.00 -0.53 0.00 0.00 39.78 36.76 2f64 n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f64 s LEU 124 N -3.20 4.44 0.17 1.20 1.43 -1.26 -4.77 118.68 116.69 2f64 s LEU 124 Ca 0.00 1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 2f64 s LEU 124 Cb 0.00 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 2f64 s LEU 124 CO 0.00 0.10 1.34 -0.13 0.23 0.00 0.00 176.35 177.89 2f64 s ARG 125 N -1.65 4.36 -0.20 1.70 0.52 -1.26 -0.65 118.95 121.77 2f64 s ARG 125 Ca 0.40 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.56 2f64 s ARG 125 Cb -0.19 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2f64 s ARG 125 CO 0.23 -0.32 0.23 0.08 0.02 0.00 0.00 175.30 175.53 2f64 s VAL 126 N 0.44 5.33 0.41 3.52 1.01 0.01 -4.85 120.40 126.27 2f64 s VAL 126 Ca 0.59 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 2f64 s VAL 126 Cb -0.37 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2f64 s VAL 126 CO 0.36 0.37 1.28 -0.62 0.00 0.00 0.00 175.10 176.48 2f64 n GLU 127 N 3.90 1.98 -3.16 2.72 1.02 -1.26 -4.78 120.64 121.06 2f64 n GLU 127 Ca -0.13 0.70 -0.27 0.00 -0.02 0.00 0.00 57.16 57.44 2f64 n GLU 127 Cb 0.52 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 2f64 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f64 n GLY 128 N 0.80 5.15 0.08 0.62 0.00 -1.26 -4.26 105.19 106.32 2f64 n GLY 128 Ca 0.06 -2.72 0.05 0.00 0.00 0.00 0.00 46.02 43.41 2f64 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f64 n PHE 129 N 0.27 0.05 -2.43 1.61 3.72 -1.26 -4.99 117.46 114.42 2f64 n PHE 129 Ca 0.30 -0.73 -0.15 0.00 -0.05 0.00 0.00 57.45 56.83 2f64 n PHE 129 Cb 0.41 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2f64 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f64 n GLY 130 N -0.87 -0.22 3.43 1.37 0.00 -1.26 -5.02 105.19 102.62 2f64 n GLY 130 Ca 0.08 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2f64 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f64 s LEU 131 N -4.41 2.45 0.06 0.99 1.43 -1.26 -4.86 118.68 113.07 2f64 s LEU 131 Ca 0.06 -0.88 0.28 0.00 -1.03 0.00 0.00 54.13 52.56 2f64 s LEU 131 Cb -0.03 -1.15 1.09 0.00 0.03 0.00 0.00 46.19 46.14 2f64 s LEU 131 CO 0.08 0.11 1.87 -0.81 0.23 0.00 0.00 176.35 177.82 2f64 n PRO 132 N 0.18 0.08 -3.84 1.29 -0.04 -1.26 -4.36 135.00 127.05 2f64 n PRO 132 Ca -0.12 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2f64 n PRO 132 Cb 0.56 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2f64 n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f64 s PHE 133 N -3.03 0.11 -0.00 0.54 -0.00 -1.26 -4.87 117.98 109.47 2f64 s PHE 133 Ca 0.13 -0.71 -0.40 0.00 -0.00 0.00 0.00 56.93 55.95 2f64 s PHE 133 Cb 0.17 0.75 -0.19 0.00 -0.00 0.00 0.00 43.02 43.75 2f64 s PHE 133 CO 0.55 -1.47 1.15 -1.71 -0.00 0.00 0.00 175.22 173.74 2f64 n ASN 134 N -1.19 0.38 -2.71 1.98 2.85 -1.26 -4.86 115.26 110.45 2f64 n ASN 134 Ca -0.07 1.15 -0.03 0.00 -0.11 0.00 0.00 54.58 55.52 2f64 n ASN 134 Cb 0.60 -0.98 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 2f64 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f64 n LEU 135 N 1.82 0.86 0.00 1.20 -0.00 -1.26 -4.11 117.00 115.50 2f64 n LEU 135 Ca 0.20 -1.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.11 2f64 n LEU 135 Cb 0.10 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2f64 n LEU 135 CO 0.62 -0.50 0.00 0.18 -0.00 0.00 0.00 177.39 177.69 2f64 n LEU 137 N 3.80 0.00 -4.39 1.47 4.77 -1.26 -4.76 117.00 116.63 2f64 n LEU 137 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 2f64 n LEU 137 Cb 0.08 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 2f64 n LEU 137 CO 0.38 0.00 -0.38 -0.47 -1.33 0.00 0.00 177.39 175.59 2f64 s TYR 138 N 0.00 2.96 -0.09 -1.77 5.04 -1.26 -5.00 117.35 117.24 2f64 s TYR 138 Ca 0.00 -0.63 0.03 0.00 -2.44 0.00 0.00 57.07 54.03 2f64 s TYR 138 Cb 0.00 -2.01 0.06 0.00 0.35 0.00 0.00 41.96 40.35 2f64 s TYR 138 CO 0.00 -0.30 1.04 -0.40 -1.34 0.00 0.00 175.55 174.55 2f64 n ASP 139 N 4.13 2.12 0.00 4.32 5.75 -1.26 -4.99 116.55 126.63 2f64 n ASP 139 Ca -0.18 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 2f64 n ASP 139 Cb 0.52 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2f64 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f64 n GLY 140 N -0.51 2.40 3.76 6.12 0.00 -1.26 -5.07 105.19 110.64 2f64 n GLY 140 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2f64 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f64 s VAL 141 N -2.59 3.56 0.23 1.61 1.01 -1.26 -4.98 120.40 117.98 2f64 s VAL 141 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 2f64 s VAL 141 Cb 0.00 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 2f64 s VAL 141 CO 0.00 0.32 1.01 1.21 0.00 0.00 0.00 175.10 177.64 2f64 n GLU 142 N 1.04 1.10 -2.74 2.72 2.13 -1.26 -4.93 120.64 118.70 2f64 n GLU 142 Ca -0.00 0.39 -0.43 0.00 0.66 0.00 0.00 57.16 57.78 2f64 n GLU 142 Cb 0.46 -1.77 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 2f64 n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f64 s VAL 143 N -0.70 4.53 0.66 6.31 1.01 -1.26 -4.60 120.40 126.35 2f64 s VAL 143 Ca 0.65 1.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 2f64 s VAL 143 Cb -0.79 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.23 2f64 s VAL 143 CO 0.56 -0.56 1.01 -0.36 0.00 0.00 0.00 175.10 175.76 2f64 s PHE 144 N 3.60 3.23 -2.05 5.22 0.08 -0.44 -4.94 117.98 122.68 2f64 s PHE 144 Ca 0.41 0.81 0.18 0.00 0.12 0.00 0.00 56.93 58.45 2f64 s PHE 144 Cb -0.12 -2.97 0.25 0.00 -0.57 0.00 0.00 43.02 39.61 2f64 s PHE 144 CO 0.19 -1.09 1.18 -0.40 -0.10 0.00 0.00 175.22 174.99 2f64 n ASP 145 N -2.84 2.81 -3.60 1.36 5.68 -1.26 -2.20 116.55 116.50 2f64 n ASP 145 Ca 0.06 -1.83 -0.09 0.00 -0.50 0.00 0.00 54.79 52.43 2f64 n ASP 145 Cb 0.58 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 2f64 n ASP 145 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2f64 s SER 146 N -1.37 -0.39 0.20 -1.12 1.04 -1.26 -4.63 113.70 106.17 2f64 s SER 146 Ca 0.26 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 2f64 s SER 146 Cb 0.17 0.57 0.18 0.00 0.10 0.00 0.00 66.02 67.04 2f64 s SER 146 CO 0.24 -0.98 1.83 0.15 0.98 0.00 0.00 173.24 175.46 2f64 h PHE 147 N 2.00 0.75 -0.72 5.02 3.57 -1.97 -2.72 116.94 122.87 2f64 h PHE 147 Ca -0.26 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 2f64 h PHE 147 Cb 1.27 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2f64 h PHE 147 CO 0.31 0.42 0.26 1.49 -2.23 0.00 0.00 178.31 178.55 2f64 h GLU 148 N 0.78 1.10 -0.43 1.11 4.81 -1.98 0.58 114.58 120.55 2f64 h GLU 148 Ca 0.27 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2f64 h GLU 148 Cb 0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2f64 h GLU 148 CO -0.12 0.93 -0.11 0.66 -0.73 0.00 0.00 179.01 179.64 2f64 h SER 149 N 1.05 0.75 -0.50 1.04 4.64 -1.93 -0.21 113.55 118.40 2f64 h SER 149 Ca 0.24 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2f64 h SER 149 Cb 0.26 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2f64 h SER 149 CO -0.01 0.89 0.14 0.00 -0.87 0.00 0.00 176.83 176.98 2f64 h ALA 150 N 1.18 0.65 -0.55 5.18 0.00 -1.13 -2.77 119.26 121.82 2f64 h ALA 150 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2f64 h ALA 150 Cb 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2f64 h ALA 150 CO 0.04 0.32 0.20 0.35 0.00 0.00 0.00 179.25 180.16 2f64 h PHE 151 N 0.68 0.82 -0.94 0.00 3.57 -0.33 -1.52 116.94 119.22 2f64 h PHE 151 Ca 0.16 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2f64 h PHE 151 Cb 0.30 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2f64 h PHE 151 CO 0.02 0.65 0.58 0.87 -2.23 0.00 0.00 178.31 178.20 2f64 h LYS 152 N 0.80 1.26 -0.57 1.11 1.57 -0.90 -0.84 116.57 118.99 2f64 h LYS 152 Ca 0.19 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2f64 h LYS 152 Cb 0.19 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2f64 h LYS 152 CO -0.01 0.87 0.31 -0.92 -0.57 0.00 0.00 179.45 179.13 2f64 h TYR 153 N 1.28 0.79 -0.33 -1.35 3.20 -1.07 -1.96 116.97 117.54 2f64 h TYR 153 Ca 0.34 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.23 2f64 h TYR 153 Cb -0.08 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 2f64 h TYR 153 CO 0.00 0.58 0.07 0.35 -1.64 0.00 0.00 178.16 177.52 2f64 h PHE 154 N 0.77 0.12 -0.52 -3.82 3.57 -0.53 -0.95 116.94 115.58 2f64 h PHE 154 Ca 0.20 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2f64 h PHE 154 Cb 0.05 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2f64 h PHE 154 CO -0.01 0.03 0.16 -0.07 -2.23 0.00 0.00 178.31 176.19 2f64 h LEU 155 N 0.19 0.70 -0.68 0.59 3.38 -0.98 0.35 115.31 118.88 2f64 h LEU 155 Ca 0.15 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2f64 h LEU 155 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2f64 h LEU 155 CO -0.19 0.67 -0.46 0.00 0.09 0.00 0.00 178.44 178.54 2f64 h ALA 156 N 1.43 0.89 -0.00 1.53 0.00 -0.93 -3.37 119.26 118.81 2f64 h ALA 156 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2f64 h ALA 156 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2f64 h ALA 156 CO -0.01 0.58 -0.05 0.09 0.00 0.00 0.00 179.25 179.86 2f64 n ASN 157 N -3.48 0.72 -3.35 0.00 3.02 -0.40 -4.77 115.26 107.00 2f64 n ASN 157 Ca 0.00 -0.86 -0.26 0.00 -0.03 0.00 0.00 54.58 53.43 2f64 n ASN 157 Cb 0.59 0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 40.12 2f64 n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f64 n PHE 158 N -0.39 0.19 -1.38 3.10 7.35 0.12 -5.04 117.46 121.42 2f64 n PHE 158 Ca 0.01 -3.60 -0.31 0.00 -0.76 0.00 0.00 57.45 52.79 2f64 n PHE 158 Cb 0.05 -0.18 0.08 0.00 0.35 0.00 0.00 39.48 39.78 2f64 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f64 s PRO 159 N -0.91 2.48 0.00 -7.13 0.04 -1.26 -4.73 135.00 123.49 2f64 s PRO 159 Ca 0.34 1.06 0.13 0.00 0.04 0.00 0.00 61.00 62.57 2f64 s PRO 159 Cb 0.10 -1.93 0.78 0.00 0.04 0.00 0.00 34.50 33.50 2f64 s PRO 159 CO -0.14 -1.46 1.21 0.43 0.04 0.00 0.00 177.00 177.09