#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f67 n HIS 4 N 0.00 -1.46 -2.11 4.41 -0.00 -1.26 -4.95 115.22 109.85 2f67 n HIS 4 Ca 0.00 0.60 -0.34 0.00 -0.00 0.00 0.00 57.72 57.98 2f67 n HIS 4 Cb 0.00 -3.21 0.02 0.00 -0.00 0.00 0.00 29.99 26.80 2f67 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2f67 s HIS 5 N -4.08 2.66 0.34 4.41 5.65 -1.26 -5.00 115.29 118.01 2f67 s HIS 5 Ca 0.08 1.55 -0.29 0.00 0.25 0.00 0.00 55.06 56.64 2f67 s HIS 5 Cb -0.04 -3.25 -0.11 0.00 -1.18 0.00 0.00 32.58 28.00 2f67 s HIS 5 CO 0.95 -1.59 1.53 -1.58 -0.65 0.00 0.00 174.74 173.39 2f67 s HIS 6 N -1.95 2.67 -0.19 3.88 5.04 -1.26 -5.00 115.29 118.48 2f67 s HIS 6 Ca 0.71 1.00 0.00 0.00 -1.54 0.00 0.00 55.06 55.23 2f67 s HIS 6 Cb -0.23 -4.04 0.02 0.00 0.04 0.00 0.00 32.58 28.37 2f67 s HIS 6 CO 0.31 -3.24 -0.17 -1.58 -2.34 0.00 0.00 174.74 167.72 2f67 s HIS 7 N -0.61 2.81 0.00 3.88 5.65 -1.26 -5.25 115.29 120.50 2f67 s HIS 7 Ca 0.57 -1.53 0.00 0.00 0.25 0.00 0.00 55.06 54.36 2f67 s HIS 7 Cb -0.47 -1.95 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 2f67 s HIS 7 CO 0.56 -0.76 0.00 1.58 -0.65 0.00 0.00 174.74 175.47 2f67 n HIS 8 N 4.65 -0.18 -4.51 3.88 -0.00 -1.26 -5.25 115.22 112.55 2f67 n HIS 8 Ca -0.21 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.75 2f67 n HIS 8 Cb 0.50 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.23 2f67 n HIS 8 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2f67 s ARG 10 N 0.00 1.13 -0.02 1.57 0.52 -1.26 -5.06 118.95 115.83 2f67 s ARG 10 Ca 0.00 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2f67 s ARG 10 Cb 0.00 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.31 2f67 s ARG 10 CO 0.00 0.30 -0.05 0.15 0.02 0.00 0.00 175.30 175.71 2f67 s LYS 11 N -1.01 0.62 -0.11 3.54 1.02 -1.26 -4.51 119.74 118.03 2f67 s LYS 11 Ca 0.04 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.89 2f67 s LYS 11 Cb -0.08 -0.62 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 2f67 s LYS 11 CO 0.01 0.04 -0.17 0.42 -0.92 0.00 0.00 175.35 174.73 2f67 s ILE 12 N 0.31 1.62 -0.03 2.17 1.01 -1.26 -0.59 121.20 124.42 2f67 s ILE 12 Ca -0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 2f67 s ILE 12 Cb -0.08 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2f67 s ILE 12 CO -0.00 0.46 1.07 -0.47 0.00 0.00 0.00 174.94 176.00 2f67 s TYR 13 N 0.90 3.49 -0.96 3.97 5.04 -0.24 -0.12 117.35 129.42 2f67 s TYR 13 Ca -0.08 1.50 -0.11 0.00 -2.44 0.00 0.00 57.07 55.95 2f67 s TYR 13 Cb -0.15 -3.25 0.25 0.00 0.35 0.00 0.00 41.96 39.15 2f67 s TYR 13 CO -0.01 -0.55 0.92 0.42 -1.34 0.00 0.00 175.55 174.99 2f67 s ILE 14 N 1.54 5.69 0.02 3.14 -1.09 -0.29 -1.61 121.20 128.60 2f67 s ILE 14 Ca 0.53 -3.00 -0.20 0.00 -2.23 0.00 0.00 60.65 55.75 2f67 s ILE 14 Cb -0.22 -4.47 -0.06 0.00 -1.58 0.00 0.00 42.46 36.13 2f67 s ILE 14 CO 0.24 -1.10 0.59 0.00 -1.23 0.00 0.00 174.94 173.44 2f67 s ALA 15 N -0.59 3.51 0.00 9.38 0.00 -0.84 -4.42 121.76 128.81 2f67 s ALA 15 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2f67 s ALA 15 Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2f67 s ALA 15 CO -0.09 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2f67 n GLY 16 N 2.23 3.44 0.07 0.00 0.00 -1.26 -0.81 105.19 108.86 2f67 n GLY 16 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2f67 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f67 n PRO 17 N -1.26 0.81 -0.22 1.61 -0.04 -1.26 -3.76 135.00 130.88 2f67 n PRO 17 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 2f67 n PRO 17 Cb 0.00 -1.06 0.55 0.00 -0.04 0.00 0.00 33.50 32.95 2f67 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f67 h ALA 18 N 2.51 2.29 -0.27 0.55 0.00 -1.95 -0.87 119.26 121.53 2f67 h ALA 18 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2f67 h ALA 18 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2f67 h ALA 18 CO 0.00 -0.57 0.34 -0.24 0.00 0.00 0.00 179.25 178.78 2f67 h VAL 19 N 0.34 0.35 -0.02 0.00 3.04 -1.91 -0.62 116.25 117.43 2f67 h VAL 19 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 2f67 h VAL 19 Cb 1.21 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2f67 h VAL 19 CO -0.14 0.00 -0.07 0.49 -1.01 0.00 0.00 177.57 176.84 2f67 n PHE 20 N -3.62 0.00 -1.26 3.17 3.72 -0.33 -4.26 117.46 114.89 2f67 n PHE 20 Ca 0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 2f67 n PHE 20 Cb 0.48 -0.02 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 2f67 n PHE 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2f67 n ASN 21 N 0.25 1.14 -0.09 4.37 3.02 -0.28 -4.89 115.26 118.79 2f67 n ASN 21 Ca 0.16 0.64 0.23 0.00 -0.03 0.00 0.00 54.58 55.59 2f67 n ASN 21 Cb 0.41 -1.50 0.69 0.00 -0.61 0.00 0.00 39.78 38.76 2f67 n ASN 21 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2f67 h PRO 22 N -0.55 0.04 0.00 3.52 0.11 -1.91 -3.36 132.00 129.85 2f67 h PRO 22 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2f67 h PRO 22 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2f67 h PRO 22 CO 0.47 0.02 -0.53 -0.40 -0.21 0.00 0.00 178.00 177.36 2f67 n ASP 23 N -4.34 1.67 0.00 -2.05 5.75 -1.26 -5.07 116.55 111.24 2f67 n ASP 23 Ca 0.14 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 2f67 n ASP 23 Cb 0.75 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2f67 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f67 n GLY 25 N 1.61 0.00 0.25 6.12 0.00 -0.95 -4.74 105.19 107.48 2f67 n GLY 25 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2f67 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f67 h ALA 26 N 0.00 0.06 -0.92 4.61 0.00 -1.94 0.18 119.26 121.25 2f67 h ALA 26 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2f67 h ALA 26 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2f67 h ALA 26 CO 0.00 -0.58 0.59 0.66 0.00 0.00 0.00 179.25 179.92 2f67 h SER 27 N -0.14 1.07 0.17 0.00 4.64 -1.97 0.17 113.55 117.48 2f67 h SER 27 Ca 0.19 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2f67 h SER 27 Cb 0.43 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2f67 h SER 27 CO -0.46 0.79 -0.08 0.22 -0.87 0.00 0.00 176.83 176.43 2f67 h TYR 28 N 1.25 -0.22 -0.66 4.77 3.20 -1.70 -2.74 116.97 120.87 2f67 h TYR 28 Ca 0.33 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2f67 h TYR 28 Cb -0.11 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2f67 h TYR 28 CO -0.00 0.12 0.31 1.88 -1.64 0.00 0.00 178.16 178.83 2f67 h TYR 29 N -0.58 0.94 -0.75 -3.82 0.05 -0.52 -1.59 116.97 110.70 2f67 h TYR 29 Ca -0.02 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 2f67 h TYR 29 Cb 0.44 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2f67 h TYR 29 CO 0.03 0.70 0.27 -0.91 -1.05 0.00 0.00 178.16 177.20 2f67 h ASN 30 N 0.94 1.05 -0.62 3.88 2.35 -0.69 0.17 115.58 122.66 2f67 h ASN 30 Ca 0.23 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2f67 h ASN 30 Cb 0.11 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2f67 h ASN 30 CO -0.03 0.95 0.22 0.11 -1.65 0.00 0.00 177.43 177.04 2f67 h LYS 31 N 1.10 0.95 -0.24 0.81 1.57 -1.13 -1.58 116.57 118.05 2f67 h LYS 31 Ca 0.25 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2f67 h LYS 31 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2f67 h LYS 31 CO -0.01 0.82 0.12 0.28 -0.57 0.00 0.00 179.45 180.09 2f67 h VAL 32 N 0.88 1.13 -0.52 0.50 2.07 -0.93 -2.11 116.25 117.28 2f67 h VAL 32 Ca 0.20 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2f67 h VAL 32 Cb 0.25 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2f67 h VAL 32 CO -0.01 0.13 0.24 0.03 0.02 0.00 0.00 177.57 177.98 2f67 h ARG 33 N 0.27 0.45 -0.66 1.57 3.08 -0.49 -1.00 114.38 117.60 2f67 h ARG 33 Ca 0.08 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2f67 h ARG 33 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2f67 h ARG 33 CO -0.01 0.30 0.08 1.49 -1.07 0.00 0.00 179.97 180.76 2f67 h GLU 34 N 0.47 1.10 -0.29 0.04 4.81 -1.17 -1.64 114.58 117.90 2f67 h GLU 34 Ca 0.24 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2f67 h GLU 34 Cb 0.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2f67 h GLU 34 CO -0.19 1.02 -0.04 1.25 -0.73 0.00 0.00 179.01 180.32 2f67 h LEU 35 N 1.02 0.54 -0.35 1.64 5.85 -1.03 -3.26 115.31 119.72 2f67 h LEU 35 Ca 0.20 -0.35 -0.19 0.00 0.84 0.00 0.00 57.88 58.38 2f67 h LEU 35 Cb 0.47 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2f67 h LEU 35 CO 0.02 0.76 -0.78 -0.07 -0.34 0.00 0.00 178.44 178.02 2f67 h LEU 36 N 0.31 0.46 -1.65 2.25 4.07 -1.15 -3.23 115.31 116.37 2f67 h LEU 36 Ca 0.08 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2f67 h LEU 36 Cb 0.51 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2f67 h LEU 36 CO 0.02 1.08 0.24 0.50 -1.08 0.00 0.00 178.44 179.20 2f67 h LYS 37 N 0.25 0.47 0.00 1.13 3.64 -1.34 -1.32 116.57 119.40 2f67 h LYS 37 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2f67 h LYS 37 Cb 1.37 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2f67 h LYS 37 CO 0.13 0.31 -0.03 0.87 -2.27 0.00 0.00 179.45 178.47 2f67 h LYS 38 N 0.49 0.00 -0.33 1.90 1.57 -1.60 -2.40 116.57 116.19 2f67 h LYS 38 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2f67 h LYS 38 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2f67 h LYS 38 CO -0.03 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 2f67 n GLU 39 N -3.91 2.88 -3.53 3.15 -0.58 -0.58 -4.97 120.64 113.10 2f67 n GLU 39 Ca -0.03 -2.12 -0.25 0.00 -0.42 0.00 0.00 57.16 54.34 2f67 n GLU 39 Cb 0.11 -1.32 0.05 0.00 -0.57 0.00 0.00 31.44 29.71 2f67 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f67 n ASN 40 N 0.40 -5.78 0.00 1.62 5.15 -0.90 -5.02 115.26 110.73 2f67 n ASN 40 Ca 0.12 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 2f67 n ASN 40 Cb 0.47 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 2f67 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f67 n VAL 41 N -4.75 0.00 -3.89 3.44 0.31 -0.70 -4.24 118.33 108.50 2f67 n VAL 41 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.17 2f67 n VAL 41 Cb 0.56 -0.13 -0.16 0.00 -0.91 0.00 0.00 33.84 33.21 2f67 n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f67 s PRO 43 N 3.08 0.16 -0.45 5.55 0.04 -1.26 -4.05 135.00 138.07 2f67 s PRO 43 Ca 0.00 0.07 -0.14 0.00 0.04 0.00 0.00 61.00 60.97 2f67 s PRO 43 Cb 0.00 -0.32 0.07 0.00 0.04 0.00 0.00 34.50 34.29 2f67 s PRO 43 CO 0.00 -0.10 0.34 -0.51 0.04 0.00 0.00 177.00 176.78 2f67 s LEU 44 N 0.73 5.40 -0.18 -3.56 1.43 0.83 -4.90 118.68 118.43 2f67 s LEU 44 Ca -0.07 -1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 51.66 2f67 s LEU 44 Cb -0.10 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2f67 s LEU 44 CO -0.02 -0.58 0.04 -0.63 0.23 0.00 0.00 176.35 175.39 2f67 s ILE 45 N 1.59 4.59 0.52 -0.59 1.01 -1.26 -1.14 121.20 125.92 2f67 s ILE 45 Ca 0.04 -0.10 0.31 0.00 0.00 0.00 0.00 60.65 60.89 2f67 s ILE 45 Cb -0.23 -3.06 0.49 0.00 0.01 0.00 0.00 42.46 39.66 2f67 s ILE 45 CO 0.06 0.46 1.85 -0.65 0.00 0.00 0.00 174.94 176.67 2f67 h PRO 46 N 6.74 0.07 -0.02 2.79 0.11 -1.98 -0.96 132.00 138.75 2f67 h PRO 46 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2f67 h PRO 46 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2f67 h PRO 46 CO 0.69 0.04 -0.12 0.25 -0.21 0.00 0.00 178.00 178.65 2f67 n THR 47 N -4.30 0.00 -1.94 -1.15 -2.24 -1.26 -4.87 114.28 98.53 2f67 n THR 47 Ca 0.21 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2f67 n THR 47 Cb 1.01 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 2f67 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2f67 s ASP 48 N -2.17 6.58 -1.62 3.42 1.11 -0.37 -2.70 116.67 120.93 2f67 s ASP 48 Ca 0.30 2.68 -0.15 0.00 0.18 0.00 0.00 52.55 55.55 2f67 s ASP 48 Cb 0.20 -2.61 0.12 0.00 1.07 0.00 0.00 42.92 41.70 2f67 s ASP 48 CO 0.40 -0.79 0.80 0.59 1.18 0.00 0.00 175.17 177.34 2f67 n ASN 49 N 3.16 -3.35 -4.70 0.27 4.13 -1.26 -4.81 115.26 108.70 2f67 n ASN 49 Ca 0.11 -0.95 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 2f67 n ASN 49 Cb 0.39 -3.12 -0.03 0.00 -1.54 0.00 0.00 39.78 35.48 2f67 n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f67 s GLU 50 N -6.79 4.15 1.01 3.52 2.12 -1.10 -5.00 118.70 116.61 2f67 s GLU 50 Ca 0.63 2.53 -0.16 0.00 0.36 0.00 0.00 54.97 58.33 2f67 s GLU 50 Cb -0.33 -3.41 0.20 0.00 0.26 0.00 0.00 34.13 30.85 2f67 s GLU 50 CO 0.90 -0.77 1.21 0.00 -0.54 0.00 0.00 175.26 176.06 2f67 s ALA 51 N 2.15 1.71 -0.10 6.30 0.00 -1.26 -5.03 121.76 125.52 2f67 s ALA 51 Ca 0.77 -0.95 0.20 0.00 0.00 0.00 0.00 51.96 51.98 2f67 s ALA 51 Cb -0.46 -2.87 -0.29 0.00 0.00 0.00 0.00 23.12 19.50 2f67 s ALA 51 CO 0.34 -2.68 0.29 0.25 0.00 0.00 0.00 175.76 173.96 2f67 n THR 52 N -4.02 0.59 -3.59 0.00 -2.24 -1.26 -4.85 114.28 98.92 2f67 n THR 52 Ca 0.12 -0.64 -0.37 0.00 -2.27 0.00 0.00 64.05 60.89 2f67 n THR 52 Cb 0.59 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 2f67 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f67 s GLU 53 N -3.05 4.03 0.21 -0.78 2.02 -1.26 -5.00 118.70 114.87 2f67 s GLU 53 Ca -0.09 0.13 -0.12 0.00 0.02 0.00 0.00 54.97 54.92 2f67 s GLU 53 Cb 0.10 -3.34 0.27 0.00 0.10 0.00 0.00 34.13 31.26 2f67 s GLU 53 CO 0.86 0.44 1.66 0.00 0.02 0.00 0.00 175.26 178.24 2f67 h ALA 54 N 5.92 0.55 -0.16 5.21 0.00 -2.00 -1.01 119.26 127.78 2f67 h ALA 54 Ca -0.46 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2f67 h ALA 54 Cb 1.19 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2f67 h ALA 54 CO 0.69 -0.40 -0.12 -0.07 0.00 0.00 0.00 179.25 179.36 2f67 h LEU 55 N 0.10 0.23 -0.25 0.00 3.38 -1.99 -1.03 115.31 115.75 2f67 h LEU 55 Ca 0.31 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2f67 h LEU 55 Cb 0.49 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2f67 h LEU 55 CO -0.52 0.38 -0.57 0.44 0.09 0.00 0.00 178.44 178.26 2f67 h ASP 56 N 0.24 0.94 -0.17 -0.43 3.32 -1.63 -0.62 116.42 118.06 2f67 h ASP 56 Ca 0.05 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 2f67 h ASP 56 Cb 0.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2f67 h ASP 56 CO 0.02 1.32 0.10 0.40 -1.72 0.00 0.00 179.24 179.36 2f67 h ILE 57 N 0.59 1.09 -0.19 0.35 2.04 -0.98 -1.32 117.51 119.09 2f67 h ILE 57 Ca -0.00 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.63 2f67 h ILE 57 Cb 1.19 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2f67 h ILE 57 CO 0.13 0.09 0.03 -0.09 0.00 0.00 0.00 178.15 178.30 2f67 h ARG 58 N 0.18 0.10 -0.87 2.37 2.43 -1.17 -1.37 114.38 116.06 2f67 h ARG 58 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2f67 h ARG 58 Cb 0.06 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2f67 h ARG 58 CO -0.01 0.07 0.50 0.37 -1.51 0.00 0.00 179.97 179.39 2f67 h GLN 59 N 0.10 1.19 -0.52 0.20 5.75 -0.98 -0.56 115.11 120.29 2f67 h GLN 59 Ca 0.08 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 2f67 h GLN 59 Cb 0.08 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 2f67 h GLN 59 CO -0.12 0.86 -0.01 0.87 -2.65 0.00 0.00 178.83 177.77 2f67 h LYS 60 N 1.20 0.89 -0.41 1.69 1.79 -0.95 -0.57 116.57 120.21 2f67 h LYS 60 Ca 0.31 -0.26 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 2f67 h LYS 60 Cb -0.01 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2f67 h LYS 60 CO -0.05 0.89 -0.28 -0.91 -1.08 0.00 0.00 179.45 178.02 2f67 h ASN 61 N 0.82 0.96 -0.79 0.86 2.35 -0.78 -2.98 115.58 116.02 2f67 h ASN 61 Ca 0.15 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2f67 h ASN 61 Cb 0.51 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2f67 h ASN 61 CO 0.03 1.18 0.47 0.40 -1.65 0.00 0.00 177.43 177.86 2f67 h ILE 62 N 0.74 1.23 0.00 2.81 2.04 -0.89 -1.90 117.51 121.54 2f67 h ILE 62 Ca 0.08 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2f67 h ILE 62 Cb 0.86 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2f67 h ILE 62 CO 0.08 0.24 0.00 1.67 0.00 0.00 0.00 178.15 180.13 2f67 n GLN 63 N -4.46 0.16 0.00 2.37 -0.06 -0.24 -1.12 117.38 114.02 2f67 n GLN 63 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2f67 n GLN 63 Cb 0.06 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 2f67 n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f67 n ILE 65 N 1.05 0.00 0.00 1.69 5.41 -0.71 -0.73 119.36 126.07 2f67 n ILE 65 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2f67 n ILE 65 Cb 0.08 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 39.46 2f67 n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f67 h LYS 66 N 0.00 0.49 0.00 0.38 1.57 -1.40 -2.84 116.57 114.77 2f67 h LYS 66 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2f67 h LYS 66 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2f67 h LYS 66 CO 0.00 0.32 -0.45 -0.25 -0.57 0.00 0.00 179.45 178.51 2f67 n ASP 67 N -4.48 0.73 -4.88 0.86 8.00 0.09 -4.96 116.55 111.91 2f67 n ASP 67 Ca 0.04 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.49 2f67 n ASP 67 Cb 0.11 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2f67 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f67 n ASP 69 N -2.91 0.56 -3.64 0.00 8.00 0.24 -4.98 116.55 113.82 2f67 n ASP 69 Ca 0.06 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.72 2f67 n ASP 69 Cb 0.57 0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.95 2f67 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f67 s ALA 70 N -2.59 -0.94 -0.14 2.24 0.00 -1.15 -4.93 121.76 114.24 2f67 s ALA 70 Ca -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 2f67 s ALA 70 Cb 0.07 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2f67 s ALA 70 CO 0.83 -0.59 -0.02 0.08 0.00 0.00 0.00 175.76 176.05 2f67 s VAL 71 N -3.46 4.04 -0.28 0.00 1.01 -1.26 -1.08 120.40 119.37 2f67 s VAL 71 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2f67 s VAL 71 Cb 0.01 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2f67 s VAL 71 CO -0.09 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 2f67 s ILE 72 N 0.14 3.94 -0.17 2.22 1.01 -0.63 -0.69 121.20 127.02 2f67 s ILE 72 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2f67 s ILE 72 Cb -0.13 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2f67 s ILE 72 CO 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 174.94 175.05 2f67 s ALA 73 N 1.52 2.73 -0.72 9.38 0.00 0.38 -1.98 121.76 133.05 2f67 s ALA 73 Ca 0.04 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 2f67 s ALA 73 Cb -0.16 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2f67 s ALA 73 CO 0.02 -0.07 1.21 0.34 0.00 0.00 0.00 175.76 177.26 2f67 s ASP 74 N 0.88 6.17 -0.38 0.00 -1.08 0.01 -1.45 116.67 120.81 2f67 s ASP 74 Ca -0.02 -0.58 0.06 0.00 -0.52 0.00 0.00 52.55 51.49 2f67 s ASP 74 Cb -0.15 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.46 2f67 s ASP 74 CO 0.00 -1.75 1.83 0.18 0.52 0.00 0.00 175.17 175.96 2f67 n LEU 75 N 9.00 6.31 -4.69 -1.34 4.77 0.47 -4.43 117.00 127.08 2f67 n LEU 75 Ca 0.02 -3.33 -0.34 0.00 -0.03 0.00 0.00 56.01 52.33 2f67 n LEU 75 Cb 0.48 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.91 2f67 n LEU 75 CO 0.69 0.92 0.77 -1.20 -1.33 0.00 0.00 177.39 177.24 2f67 n SER 76 N -0.65 1.08 -4.60 -1.43 7.64 -1.23 -4.44 113.62 109.99 2f67 n SER 76 Ca 0.49 0.60 -0.50 0.00 1.01 0.00 0.00 58.87 60.47 2f67 n SER 76 Cb 1.51 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 2f67 n SER 76 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2f67 n PRO 77 N -3.21 1.30 -3.80 1.43 -0.04 -1.26 -4.27 135.00 125.15 2f67 n PRO 77 Ca 0.14 0.47 -0.26 0.00 -0.04 0.00 0.00 63.50 63.80 2f67 n PRO 77 Cb 0.50 -2.07 -0.17 0.00 -0.04 0.00 0.00 33.50 31.72 2f67 n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f67 s PHE 78 N 0.27 1.09 -1.41 0.54 5.36 -0.11 -4.82 117.98 118.89 2f67 s PHE 78 Ca 0.79 -0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.03 2f67 s PHE 78 Cb -0.88 -1.03 0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2f67 s PHE 78 CO 0.48 -0.50 1.08 0.54 -1.46 0.00 0.00 175.22 175.36 2f67 n ARG 79 N 5.04 -6.85 0.00 10.12 1.74 -1.26 -4.52 116.66 120.93 2f67 n ARG 79 Ca -0.09 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 2f67 n ARG 79 Cb 0.49 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 2f67 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f67 n GLY 80 N -1.82 0.69 0.03 -0.13 0.00 -1.26 -4.85 105.19 97.85 2f67 n GLY 80 Ca -0.01 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.02 2f67 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f67 n HIS 81 N 3.85 0.29 -3.26 1.61 8.25 -1.26 -4.56 115.22 120.14 2f67 n HIS 81 Ca 0.00 0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.18 2f67 n HIS 81 Cb 0.00 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.41 2f67 n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f67 s GLU 82 N -3.04 4.12 1.13 -0.41 0.41 -1.26 -4.62 118.70 115.03 2f67 s GLU 82 Ca 0.12 0.67 -0.12 0.00 -0.41 0.00 0.00 54.97 55.23 2f67 s GLU 82 Cb 0.16 -3.00 0.26 0.00 -1.78 0.00 0.00 34.13 29.78 2f67 s GLU 82 CO 0.53 0.49 1.04 -2.14 -0.49 0.00 0.00 175.26 174.70 2f67 s PRO 83 N -1.75 -0.65 0.15 0.39 0.02 -1.26 -0.93 135.00 130.97 2f67 s PRO 83 Ca 0.37 0.87 -0.31 0.00 0.02 0.00 0.00 61.00 61.95 2f67 s PRO 83 Cb -0.17 -1.58 -0.08 0.00 0.02 0.00 0.00 34.50 32.69 2f67 s PRO 83 CO 0.20 -3.55 1.35 0.34 -0.33 0.00 0.00 177.00 175.01 2f67 s ASP 84 N -2.62 6.86 0.32 2.53 2.15 -1.26 -4.70 116.67 119.95 2f67 s ASP 84 Ca 0.68 2.35 -0.00 0.00 0.43 0.00 0.00 52.55 56.00 2f67 s ASP 84 Cb -0.24 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.29 2f67 s ASP 84 CO 0.63 -0.59 1.97 0.00 -0.17 0.00 0.00 175.17 177.01 2f67 h GLY 86 N 1.00 0.62 0.98 0.00 0.00 -1.99 -0.43 103.07 103.25 2f67 h GLY 86 Ca 0.26 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2f67 h GLY 86 CO -0.05 0.35 0.37 -0.84 0.00 0.00 0.00 176.54 176.37 2f67 h THR 87 N 0.45 1.13 -0.76 4.70 2.02 -1.87 -1.87 112.91 116.72 2f67 h THR 87 Ca 0.12 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2f67 h THR 87 Cb 0.27 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2f67 h THR 87 CO -0.00 0.14 0.49 0.00 0.37 0.00 0.00 175.52 176.52 2f67 h ALA 88 N 1.22 0.98 -0.67 6.16 0.00 -1.01 0.24 119.26 126.17 2f67 h ALA 88 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2f67 h ALA 88 Cb -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2f67 h ALA 88 CO -0.06 0.32 0.41 0.35 0.00 0.00 0.00 179.25 180.28 2f67 h PHE 89 N 0.98 0.78 -0.59 0.00 3.57 -0.76 -0.96 116.94 119.95 2f67 h PHE 89 Ca 0.29 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 2f67 h PHE 89 Cb -0.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2f67 h PHE 89 CO -0.03 0.43 0.02 0.93 -2.23 0.00 0.00 178.31 177.44 2f67 h GLU 90 N 0.81 1.01 -0.57 1.11 5.08 -0.61 -0.25 114.58 121.16 2f67 h GLU 90 Ca 0.27 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2f67 h GLU 90 Cb 0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2f67 h GLU 90 CO -0.12 0.98 0.31 0.28 -1.00 0.00 0.00 179.01 179.46 2f67 h VAL 91 N 0.94 1.19 -0.52 3.13 2.07 -0.58 -1.18 116.25 121.30 2f67 h VAL 91 Ca 0.17 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2f67 h VAL 91 Cb 0.51 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2f67 h VAL 91 CO 0.02 0.20 0.32 1.23 0.02 0.00 0.00 177.57 179.37 2f67 h GLY 92 N 0.77 0.75 0.41 2.17 0.00 -0.78 -0.56 103.07 105.83 2f67 h GLY 92 Ca 0.20 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.28 2f67 h GLY 92 CO -0.03 0.29 -0.14 0.00 0.00 0.00 0.00 176.54 176.66 2f67 h ALA 94 N 0.98 0.84 -0.69 0.00 0.00 -0.99 -2.42 119.26 116.98 2f67 h ALA 94 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2f67 h ALA 94 Cb 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2f67 h ALA 94 CO -0.28 0.42 0.40 0.00 0.00 0.00 0.00 179.25 179.79 2f67 h ALA 95 N 1.13 0.92 0.00 0.00 0.00 -0.85 -1.68 119.26 118.78 2f67 h ALA 95 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2f67 h ALA 95 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2f67 h ALA 95 CO -0.03 0.11 -0.34 0.00 0.00 0.00 0.00 179.25 178.99 2f67 h ALA 96 N 1.34 1.40 -0.28 0.00 0.00 -1.06 -2.33 119.26 118.32 2f67 h ALA 96 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f67 h ALA 96 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2f67 h ALA 96 CO -0.16 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2f67 n LEU 97 N -4.09 2.05 -2.73 0.00 4.77 -0.90 -4.94 117.00 111.16 2f67 n LEU 97 Ca -0.02 -0.93 -0.21 0.00 -0.03 0.00 0.00 56.01 54.82 2f67 n LEU 97 Cb 0.39 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2f67 n LEU 97 CO 0.38 0.46 -0.13 0.59 -1.33 0.00 0.00 177.39 177.37 2f67 n ASN 98 N 0.58 -5.79 0.00 -1.43 3.02 -0.88 -5.05 115.26 105.72 2f67 n ASN 98 Ca 0.15 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2f67 n ASN 98 Cb 0.36 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 2f67 n ASN 98 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2f67 n LYS 99 N -3.50 0.00 -3.36 3.52 4.76 -0.69 -5.04 118.16 113.85 2f67 n LYS 99 Ca -0.17 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.30 2f67 n LYS 99 Cb 0.65 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.79 2f67 n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f67 s VAL 101 N 0.33 -0.03 -0.09 -0.18 1.01 -1.26 -4.67 120.40 115.51 2f67 s VAL 101 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2f67 s VAL 101 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2f67 s VAL 101 CO 0.00 0.00 -0.23 -0.76 0.00 0.00 0.00 175.10 174.11 2f67 s LEU 102 N 1.64 2.06 0.13 3.92 1.43 0.13 -4.91 118.68 123.08 2f67 s LEU 102 Ca -0.03 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2f67 s LEU 102 Cb -0.01 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2f67 s LEU 102 CO -0.14 0.17 -0.22 0.42 0.23 0.00 0.00 176.35 176.82 2f67 s THR 103 N 0.25 1.91 0.11 5.49 -4.23 -1.26 -0.47 115.64 117.44 2f67 s THR 103 Ca -0.15 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 2f67 s THR 103 Cb -0.17 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2f67 s THR 103 CO 0.07 -0.10 0.04 0.72 -0.54 0.00 0.00 174.62 174.82 2f67 s PHE 104 N -1.40 0.76 -0.04 3.99 -0.71 -0.53 -1.35 117.98 118.70 2f67 s PHE 104 Ca 0.11 -1.18 -0.18 0.00 -1.04 0.00 0.00 56.93 54.65 2f67 s PHE 104 Cb -0.09 -0.45 0.03 0.00 -1.21 0.00 0.00 43.02 41.31 2f67 s PHE 104 CO 0.06 -0.49 0.39 -0.08 -1.34 0.00 0.00 175.22 173.76 2f67 s THR 105 N -4.01 0.04 -1.34 -4.49 -1.32 -0.83 -0.39 115.64 103.30 2f67 s THR 105 Ca 0.19 -0.34 0.25 0.00 -1.21 0.00 0.00 61.69 60.58 2f67 s THR 105 Cb 0.08 -0.68 0.39 0.00 -1.51 0.00 0.00 72.50 70.77 2f67 s THR 105 CO -0.01 -0.19 1.83 -1.54 -2.21 0.00 0.00 174.62 172.49 2f67 n SER 106 N 1.38 0.00 -3.58 8.08 3.41 -1.26 -4.51 113.62 117.13 2f67 n SER 106 Ca -0.20 0.05 -0.29 0.00 -0.26 0.00 0.00 58.87 58.17 2f67 n SER 106 Cb 0.56 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 2f67 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f67 s ASP 107 N -2.66 3.42 0.00 4.04 -1.08 -1.26 -5.01 116.67 114.11 2f67 s ASP 107 Ca 0.21 -1.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.24 2f67 s ASP 107 Cb 0.17 -0.41 0.67 0.00 -1.46 0.00 0.00 42.92 41.88 2f67 s ASP 107 CO 0.39 -0.42 1.52 0.54 0.52 0.00 0.00 175.17 177.72 2f67 n ARG 108 N 5.19 1.93 -1.79 4.34 3.00 -1.26 -4.93 116.66 123.14 2f67 n ARG 108 Ca -0.06 -1.39 -0.36 0.00 -0.01 0.00 0.00 57.85 56.03 2f67 n ARG 108 Cb 0.43 -1.43 0.06 0.00 0.00 0.00 0.00 32.46 31.52 2f67 n ARG 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2f67 s ARG 109 N -1.76 2.63 0.00 5.56 0.52 -1.26 -4.58 118.95 120.06 2f67 s ARG 109 Ca 0.34 1.92 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 2f67 s ARG 109 Cb 0.19 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2f67 s ARG 109 CO 0.28 -1.50 0.00 0.09 0.02 0.00 0.00 175.30 174.19 2f67 n ASN 110 N -1.94 0.00 0.00 0.23 3.02 -1.26 -4.04 115.26 111.27 2f67 n ASN 110 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2f67 n ASN 110 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2f67 n ASN 110 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2f67 n ARG 112 N 0.00 0.00 -0.08 3.52 1.74 -1.26 -1.41 116.66 119.16 2f67 n ARG 112 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2f67 n ARG 112 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2f67 n ARG 112 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2f67 h GLU 113 N 0.00 0.78 -0.37 5.56 5.08 -1.91 -0.06 114.58 123.67 2f67 h GLU 113 Ca 0.00 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2f67 h GLU 113 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2f67 h GLU 113 CO 0.00 1.10 0.19 0.87 -1.00 0.00 0.00 179.01 180.17 2f67 h LYS 114 N 0.53 0.53 0.00 2.33 1.57 -1.54 -2.91 116.57 117.08 2f67 h LYS 114 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f67 h LYS 114 Cb 1.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2f67 h LYS 114 CO 0.10 0.46 -0.29 0.66 -0.57 0.00 0.00 179.45 179.81 2f67 n TYR 115 N -4.73 0.64 -1.02 -1.35 4.01 -1.24 -4.94 117.16 108.53 2f67 n TYR 115 Ca -0.00 0.19 -0.01 0.00 -0.16 0.00 0.00 57.90 57.92 2f67 n TYR 115 Cb 0.10 -0.75 -0.00 0.00 -0.31 0.00 0.00 39.34 38.38 2f67 n TYR 115 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f67 n GLY 116 N 1.35 0.41 3.79 2.72 0.00 -0.09 -4.95 105.19 108.42 2f67 n GLY 116 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2f67 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f67 s SER 117 N -2.11 -0.17 0.00 1.61 0.15 -0.86 -4.99 113.70 107.34 2f67 s SER 117 Ca 0.00 -0.49 0.30 0.00 0.70 0.00 0.00 55.95 56.45 2f67 s SER 117 Cb 0.00 0.54 1.44 0.00 -1.71 0.00 0.00 66.02 66.30 2f67 s SER 117 CO 0.00 -1.02 1.97 0.61 1.20 0.00 0.00 173.24 176.01 2f67 n GLY 118 N -0.49 -0.71 3.10 9.45 0.00 -1.26 -4.54 105.19 110.74 2f67 n GLY 118 Ca -0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2f67 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f67 s VAL 119 N -2.17 0.51 0.27 1.61 -7.23 -1.26 -0.58 120.40 111.54 2f67 s VAL 119 Ca 0.39 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2f67 s VAL 119 Cb 0.21 -1.19 0.06 0.00 0.56 0.00 0.00 36.38 36.01 2f67 s VAL 119 CO 0.40 -0.71 0.36 -0.90 -0.31 0.00 0.00 175.10 173.93 2f67 n ASP 120 N 0.59 0.23 0.31 4.85 5.68 0.11 -4.85 116.55 123.47 2f67 n ASP 120 Ca -0.17 -1.25 0.21 0.00 -0.50 0.00 0.00 54.79 53.08 2f67 n ASP 120 Cb 0.58 -0.26 1.03 0.00 -1.14 0.00 0.00 41.12 41.34 2f67 n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f67 h LYS 121 N 0.00 0.00 -0.56 0.11 2.10 -1.94 -1.87 116.57 114.42 2f67 h LYS 121 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2f67 h LYS 121 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2f67 h LYS 121 CO 0.10 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 2f67 n ASP 122 N -3.03 4.18 -1.08 7.07 8.00 -1.26 -4.95 116.55 125.48 2f67 n ASP 122 Ca -0.02 -2.36 -0.12 0.00 0.71 0.00 0.00 54.79 53.00 2f67 n ASP 122 Cb 0.14 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 2f67 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f67 n ASN 123 N 0.89 -4.23 -4.79 -2.24 5.15 -0.70 -5.02 115.26 104.32 2f67 n ASN 123 Ca 0.22 0.19 -0.38 0.00 -0.60 0.00 0.00 54.58 54.01 2f67 n ASN 123 Cb 0.76 -3.01 -0.06 0.00 -0.53 0.00 0.00 39.78 36.94 2f67 n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f67 s LEU 124 N -2.98 4.45 0.26 1.20 1.43 -1.26 -4.79 118.68 116.99 2f67 s LEU 124 Ca 0.00 1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 2f67 s LEU 124 Cb 0.00 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.29 2f67 s LEU 124 CO 0.00 0.19 1.49 -0.13 0.23 0.00 0.00 176.35 178.14 2f67 s ARG 125 N -0.58 4.22 -0.21 1.70 0.52 -1.26 -0.71 118.95 122.63 2f67 s ARG 125 Ca 0.28 2.40 -0.09 0.00 -0.52 0.00 0.00 55.73 57.80 2f67 s ARG 125 Cb -0.18 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 2f67 s ARG 125 CO 0.16 -0.50 0.11 0.08 0.02 0.00 0.00 175.30 175.18 2f67 s VAL 126 N -0.00 5.14 0.47 3.52 1.01 0.25 -4.84 120.40 125.94 2f67 s VAL 126 Ca 0.61 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 2f67 s VAL 126 Cb -0.44 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2f67 s VAL 126 CO 0.45 0.42 1.23 -0.62 0.00 0.00 0.00 175.10 176.58 2f67 n GLU 127 N 3.77 1.71 -3.16 2.72 1.02 -1.26 -4.79 120.64 120.65 2f67 n GLU 127 Ca -0.16 0.62 -0.26 0.00 -0.02 0.00 0.00 57.16 57.34 2f67 n GLU 127 Cb 0.52 -2.36 -0.06 0.00 -0.02 0.00 0.00 31.44 29.52 2f67 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f67 n GLY 128 N 0.89 4.93 0.03 0.62 0.00 -1.26 -4.21 105.19 106.20 2f67 n GLY 128 Ca 0.08 -2.60 0.04 0.00 0.00 0.00 0.00 46.02 43.55 2f67 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f67 n PHE 129 N 0.34 0.00 -2.72 1.61 3.72 -1.26 -4.99 117.46 114.16 2f67 n PHE 129 Ca 0.29 -0.68 -0.18 0.00 -0.05 0.00 0.00 57.45 56.83 2f67 n PHE 129 Cb 0.43 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 38.90 2f67 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f67 n GLY 130 N -0.85 -0.32 3.40 1.37 0.00 -1.26 -5.02 105.19 102.52 2f67 n GLY 130 Ca 0.06 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2f67 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f67 s LEU 131 N -5.39 2.39 0.08 0.99 1.43 -1.26 -4.88 118.68 112.03 2f67 s LEU 131 Ca 0.18 -0.82 0.26 0.00 -1.03 0.00 0.00 54.13 52.72 2f67 s LEU 131 Cb -0.08 -1.16 1.01 0.00 0.03 0.00 0.00 46.19 45.99 2f67 s LEU 131 CO 0.22 0.13 1.80 -0.81 0.23 0.00 0.00 176.35 177.92 2f67 n PRO 132 N 0.54 0.08 -3.88 1.29 -0.04 -1.26 -4.44 135.00 127.29 2f67 n PRO 132 Ca -0.15 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 2f67 n PRO 132 Cb 0.55 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2f67 n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f67 s PHE 133 N -3.05 0.26 0.00 0.54 -0.00 -1.26 -4.89 117.98 109.59 2f67 s PHE 133 Ca 0.11 -0.81 -0.39 0.00 -0.00 0.00 0.00 56.93 55.84 2f67 s PHE 133 Cb 0.15 0.62 -0.19 0.00 -0.00 0.00 0.00 43.02 43.60 2f67 s PHE 133 CO 0.49 -1.42 1.20 -1.71 -0.00 0.00 0.00 175.22 173.79 2f67 n ASN 134 N -1.22 0.69 -2.79 1.98 2.85 -1.26 -4.87 115.26 110.63 2f67 n ASN 134 Ca -0.06 1.14 -0.05 0.00 -0.11 0.00 0.00 54.58 55.51 2f67 n ASN 134 Cb 0.60 -1.02 -0.02 0.00 1.24 0.00 0.00 39.78 40.59 2f67 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f67 n LEU 135 N 2.06 1.31 0.00 1.20 -0.00 -1.26 -4.15 117.00 116.17 2f67 n LEU 135 Ca 0.20 -1.35 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 2f67 n LEU 135 Cb 0.11 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2f67 n LEU 135 CO 0.63 -0.43 0.00 0.18 -0.00 0.00 0.00 177.39 177.77 2f67 n LEU 137 N 3.99 0.00 -4.38 1.47 4.77 -1.26 -4.77 117.00 116.82 2f67 n LEU 137 Ca 0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.75 2f67 n LEU 137 Cb 0.09 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 2f67 n LEU 137 CO 0.43 0.00 -0.38 -0.47 -1.33 0.00 0.00 177.39 175.63 2f67 s TYR 138 N 0.00 2.96 -0.27 -1.77 5.04 -1.26 -5.00 117.35 117.05 2f67 s TYR 138 Ca 0.00 -0.68 0.03 0.00 -2.44 0.00 0.00 57.07 53.98 2f67 s TYR 138 Cb 0.00 -2.03 0.08 0.00 0.35 0.00 0.00 41.96 40.36 2f67 s TYR 138 CO 0.00 -0.34 1.03 -0.40 -1.34 0.00 0.00 175.55 174.50 2f67 n ASP 139 N 4.23 2.17 0.00 4.32 5.75 -1.26 -4.98 116.55 126.77 2f67 n ASP 139 Ca -0.18 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 2f67 n ASP 139 Cb 0.52 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2f67 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f67 n GLY 140 N -0.18 2.86 3.76 6.12 0.00 -1.26 -5.07 105.19 111.42 2f67 n GLY 140 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2f67 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f67 s VAL 141 N -2.54 3.29 0.26 1.61 1.01 -1.26 -4.97 120.40 117.80 2f67 s VAL 141 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 2f67 s VAL 141 Cb 0.00 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 2f67 s VAL 141 CO 0.00 0.30 0.97 1.21 0.00 0.00 0.00 175.10 177.58 2f67 n GLU 142 N 1.04 1.14 -2.75 2.72 2.13 -1.26 -4.94 120.64 118.73 2f67 n GLU 142 Ca -0.01 0.40 -0.43 0.00 0.66 0.00 0.00 57.16 57.79 2f67 n GLU 142 Cb 0.44 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 2f67 n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f67 s VAL 143 N -0.92 4.63 0.65 6.31 1.01 -1.26 -4.59 120.40 126.22 2f67 s VAL 143 Ca 0.62 1.59 -0.08 0.00 0.00 0.00 0.00 61.98 64.11 2f67 s VAL 143 Cb -0.75 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.33 2f67 s VAL 143 CO 0.58 -0.36 0.98 -0.36 0.00 0.00 0.00 175.10 175.95 2f67 s PHE 144 N 3.35 3.23 -0.58 5.22 0.08 -0.46 -4.93 117.98 123.89 2f67 s PHE 144 Ca 0.41 0.75 0.24 0.00 0.12 0.00 0.00 56.93 58.44 2f67 s PHE 144 Cb -0.13 -2.92 0.25 0.00 -0.57 0.00 0.00 43.02 39.65 2f67 s PHE 144 CO 0.13 -1.03 1.23 -0.44 -0.10 0.00 0.00 175.22 175.01 2f67 h ASP 145 N -0.40 0.00 -4.93 1.36 5.19 -1.87 -2.20 116.42 113.56 2f67 h ASP 145 Ca -0.45 -0.22 0.08 0.00 -0.62 0.00 0.00 57.03 55.82 2f67 h ASP 145 Cb 1.26 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.66 2f67 h ASP 145 CO 0.62 0.11 0.37 -0.94 -3.12 0.00 0.00 179.24 176.28 2f67 s SER 146 N -4.32 -0.37 0.23 6.45 1.04 -1.26 -4.52 113.70 110.95 2f67 s SER 146 Ca 0.05 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 2f67 s SER 146 Cb 0.13 0.52 0.29 0.00 0.10 0.00 0.00 66.02 67.06 2f67 s SER 146 CO 0.74 -0.88 1.85 0.15 0.98 0.00 0.00 173.24 176.09 2f67 h PHE 147 N 2.00 0.95 -0.62 5.02 3.57 -1.96 -2.70 116.94 123.19 2f67 h PHE 147 Ca -0.26 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 2f67 h PHE 147 Cb 1.26 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2f67 h PHE 147 CO 0.30 0.50 0.29 0.93 -2.23 0.00 0.00 178.31 178.10 2f67 h GLU 148 N 0.96 0.89 -0.14 1.11 3.07 -1.98 -0.16 114.58 118.32 2f67 h GLU 148 Ca 0.35 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 2f67 h GLU 148 Cb 0.12 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2f67 h GLU 148 CO -0.15 0.72 -0.45 0.66 -1.40 0.00 0.00 179.01 178.39 2f67 h SER 149 N 0.85 0.36 -0.56 1.42 4.64 -1.93 -1.28 113.55 117.05 2f67 h SER 149 Ca 0.21 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2f67 h SER 149 Cb 0.13 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2f67 h SER 149 CO -0.03 0.77 0.06 0.00 -0.87 0.00 0.00 176.83 176.76 2f67 h ALA 150 N 1.25 0.75 -0.42 5.18 0.00 -1.13 -2.75 119.26 122.14 2f67 h ALA 150 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2f67 h ALA 150 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2f67 h ALA 150 CO 0.07 0.53 -0.01 0.35 0.00 0.00 0.00 179.25 180.20 2f67 h PHE 151 N 0.85 0.72 -0.81 0.00 3.57 -0.64 -1.19 116.94 119.44 2f67 h PHE 151 Ca 0.17 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2f67 h PHE 151 Cb 0.47 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2f67 h PHE 151 CO 0.03 0.69 0.37 0.87 -2.23 0.00 0.00 178.31 178.04 2f67 h LYS 152 N 0.65 1.18 -0.53 1.11 1.57 -1.05 -1.36 116.57 118.13 2f67 h LYS 152 Ca 0.13 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2f67 h LYS 152 Cb 0.41 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2f67 h LYS 152 CO 0.02 0.92 0.23 -0.92 -0.57 0.00 0.00 179.45 179.13 2f67 h TYR 153 N 1.17 0.79 -0.41 -1.35 3.20 -1.11 -2.19 116.97 117.07 2f67 h TYR 153 Ca 0.28 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.17 2f67 h TYR 153 Cb 0.15 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 2f67 h TYR 153 CO 0.02 0.63 0.04 0.35 -1.64 0.00 0.00 178.16 177.56 2f67 h PHE 154 N 0.72 0.05 -0.29 -3.82 3.57 -0.71 -1.32 116.94 115.13 2f67 h PHE 154 Ca 0.18 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2f67 h PHE 154 Cb 0.16 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2f67 h PHE 154 CO 0.00 -0.04 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.92 2f67 h LEU 155 N 0.15 0.43 -0.06 0.59 3.38 -1.01 0.25 115.31 119.04 2f67 h LEU 155 Ca 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2f67 h LEU 155 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2f67 h LEU 155 CO -0.30 0.53 -0.19 0.00 0.09 0.00 0.00 178.44 178.58 2f67 h ALA 156 N 1.52 0.88 -0.00 1.53 0.00 -0.93 -3.37 119.26 118.89 2f67 h ALA 156 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2f67 h ALA 156 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2f67 h ALA 156 CO 0.02 0.23 -0.02 0.09 0.00 0.00 0.00 179.25 179.57 2f67 n ASN 157 N -3.15 0.45 -3.46 0.00 3.02 -0.54 -4.78 115.26 106.78 2f67 n ASN 157 Ca 0.03 -0.72 -0.27 0.00 -0.03 0.00 0.00 54.58 53.59 2f67 n ASN 157 Cb 0.60 0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 40.26 2f67 n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f67 n PHE 158 N -0.59 0.30 -1.55 3.10 7.35 0.85 -5.04 117.46 121.89 2f67 n PHE 158 Ca 0.00 -3.61 -0.31 0.00 -0.76 0.00 0.00 57.45 52.78 2f67 n PHE 158 Cb 0.01 -0.07 0.07 0.00 0.35 0.00 0.00 39.48 39.84 2f67 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f67 s PRO 159 N -0.62 2.62 0.00 -7.13 0.04 -1.26 -4.72 135.00 123.93 2f67 s PRO 159 Ca 0.32 0.86 0.32 0.00 0.04 0.00 0.00 61.00 62.54 2f67 s PRO 159 Cb 0.05 -1.96 1.87 0.00 0.04 0.00 0.00 34.50 34.50 2f67 s PRO 159 CO -0.17 -1.30 2.21 0.43 0.04 0.00 0.00 177.00 178.21