#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 -1.34 -2.11 1.57 -0.00 -1.26 -4.94 115.22 107.14 2f67 n HIS 4 Ca 0.00 0.46 -0.33 0.00 -0.00 0.00 0.00 57.72 57.84 2f67 n HIS 4 Cb 0.00 -2.89 0.01 0.00 -0.00 0.00 0.00 29.99 27.11 2f67 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f67 s HIS 5 N -4.08 2.90 0.32 4.41 4.02 -1.26 -5.00 115.29 116.61 2f67 s HIS 5 Ca 0.16 1.53 -0.29 0.00 1.02 0.00 0.00 55.06 57.48 2f67 s HIS 5 Cb -0.08 -3.07 -0.12 0.00 -1.02 0.00 0.00 32.58 28.29 2f67 s HIS 5 CO 0.98 -1.20 1.47 1.58 1.02 0.00 0.00 174.74 178.59 2f67 n HIS 6 N -1.83 2.69 -4.28 1.40 -0.00 -1.26 -5.00 115.22 106.94 2f67 n HIS 6 Ca 0.09 0.40 -0.33 0.00 -0.00 0.00 0.00 57.72 57.88 2f67 n HIS 6 Cb 0.52 -2.52 -0.16 0.00 -0.00 0.00 0.00 29.99 27.84 2f67 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2f67 s HIS 7 N -0.58 2.78 0.00 1.57 2.46 -1.26 -5.24 115.29 115.02 2f67 s HIS 7 Ca 0.59 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.73 2f67 s HIS 7 Cb -0.53 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.01 2f67 s HIS 7 CO 0.56 -0.68 0.00 1.58 -2.47 0.00 0.00 174.74 173.73 2f67 n HIS 8 N 4.44 -0.16 -4.47 3.88 -0.00 -1.26 -5.25 115.22 112.39 2f67 n HIS 8 Ca -0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.31 2f67 n HIS 8 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.36 2f67 n HIS 8 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2f67 s ARG 10 N 0.00 1.05 -0.03 1.57 0.52 -1.26 -5.06 118.95 115.74 2f67 s ARG 10 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2f67 s ARG 10 Cb 0.00 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.42 2f67 s ARG 10 CO 0.00 0.27 -0.07 0.15 0.02 0.00 0.00 175.30 175.67 2f67 s LYS 11 N -0.92 0.83 -0.11 3.54 1.02 -1.26 -4.49 119.74 118.35 2f67 s LYS 11 Ca 0.03 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2f67 s LYS 11 Cb -0.07 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 2f67 s LYS 11 CO 0.01 0.06 -0.16 0.42 -0.92 0.00 0.00 175.35 174.77 2f67 s ILE 12 N 0.32 1.53 -0.01 2.17 1.01 -1.26 -0.60 121.20 124.36 2f67 s ILE 12 Ca -0.05 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 2f67 s ILE 12 Cb -0.09 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2f67 s ILE 12 CO 0.00 0.45 1.04 -0.47 0.00 0.00 0.00 174.94 175.96 2f67 s TYR 13 N 0.99 3.56 -0.93 3.97 5.04 -0.24 -0.13 117.35 129.61 2f67 s TYR 13 Ca -0.06 1.58 -0.10 0.00 -2.44 0.00 0.00 57.07 56.05 2f67 s TYR 13 Cb -0.15 -3.20 0.24 0.00 0.35 0.00 0.00 41.96 39.20 2f67 s TYR 13 CO -0.02 -0.35 0.87 0.42 -1.34 0.00 0.00 175.55 175.14 2f67 s ILE 14 N 1.30 5.47 0.05 3.14 -1.09 -0.25 -1.61 121.20 128.20 2f67 s ILE 14 Ca 0.53 -3.03 -0.20 0.00 -2.23 0.00 0.00 60.65 55.72 2f67 s ILE 14 Cb -0.22 -4.35 -0.06 0.00 -1.58 0.00 0.00 42.46 36.24 2f67 s ILE 14 CO 0.26 -1.08 0.58 0.00 -1.23 0.00 0.00 174.94 173.46 2f67 s ALA 15 N -0.57 3.56 0.00 9.38 0.00 -0.86 -4.42 121.76 128.86 2f67 s ALA 15 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2f67 s ALA 15 Cb -0.11 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2f67 s ALA 15 CO -0.08 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2f67 n GLY 16 N 1.92 3.40 0.00 0.00 0.00 -1.26 -0.98 105.19 108.26 2f67 n GLY 16 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.45 0.86 -0.12 1.61 -0.04 -1.26 -3.81 135.00 130.79 2f67 n PRO 17 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 2f67 n PRO 17 Cb 0.00 -1.01 0.64 0.00 -0.04 0.00 0.00 33.50 33.09 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 2.73 2.49 -0.40 0.55 0.00 -1.95 -0.61 119.26 122.08 2f67 h ALA 18 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2f67 h ALA 18 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2f67 h ALA 18 CO 0.00 -0.70 0.45 -0.24 0.00 0.00 0.00 179.25 178.75 2f67 h VAL 19 N 0.13 0.36 -0.02 0.00 3.04 -1.91 -0.73 116.25 117.13 2f67 h VAL 19 Ca 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 2f67 h VAL 19 Cb 1.21 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2f67 h VAL 19 CO -0.05 0.00 -0.03 0.49 -1.01 0.00 0.00 177.57 176.97 2f67 n PHE 20 N -3.69 0.00 -1.31 3.17 3.72 -0.23 -4.25 117.46 114.87 2f67 n PHE 20 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 2f67 n PHE 20 Cb 0.62 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.25 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 0.48 0.79 -0.31 4.37 3.02 -0.32 -4.89 115.26 118.40 2f67 n ASN 21 Ca 0.17 0.65 0.23 0.00 -0.03 0.00 0.00 54.58 55.60 2f67 n ASN 21 Cb 0.44 -1.45 0.52 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.39 0.36 0.00 3.52 0.11 -1.91 -3.36 132.00 130.33 2f67 h PRO 22 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2f67 h PRO 22 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2f67 h PRO 22 CO 0.47 0.24 -0.40 0.38 -0.21 0.00 0.00 178.00 178.48 2f67 h ASP 23 N 0.38 0.00 0.00 -2.05 2.03 -1.91 -3.50 116.42 111.36 2f67 h ASP 23 Ca 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.88 2f67 h ASP 23 Cb 1.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.01 2f67 h ASP 23 CO -0.27 0.67 0.00 0.61 -1.03 0.00 0.00 179.24 179.23 2f67 n GLY 25 N 1.65 0.00 0.25 7.15 0.00 -0.93 -4.75 105.19 108.56 2f67 n GLY 25 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 0.24 -0.74 4.61 0.00 -1.94 0.83 119.26 122.25 2f67 h ALA 26 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f67 h ALA 26 Cb 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2f67 h ALA 26 CO 0.00 -0.50 0.43 0.66 0.00 0.00 0.00 179.25 179.83 2f67 h SER 27 N -0.06 0.91 0.21 0.00 4.64 -1.97 0.12 113.55 117.39 2f67 h SER 27 Ca 0.24 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2f67 h SER 27 Cb 0.44 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2f67 h SER 27 CO -0.56 0.73 -0.10 0.22 -0.87 0.00 0.00 176.83 176.24 2f67 h TYR 28 N 1.02 -0.26 -0.74 4.77 3.20 -1.76 -2.44 116.97 120.75 2f67 h TYR 28 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2f67 h TYR 28 Cb 0.00 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2f67 h TYR 28 CO -0.01 0.04 0.40 1.88 -1.64 0.00 0.00 178.16 178.84 2f67 h TYR 29 N -0.57 1.01 -0.75 -3.82 0.05 -0.72 -0.90 116.97 111.28 2f67 h TYR 29 Ca -0.03 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 2f67 h TYR 29 Cb 0.42 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2f67 h TYR 29 CO 0.02 0.70 0.36 -0.91 -1.05 0.00 0.00 178.16 177.28 2f67 h ASN 30 N 1.03 0.98 -0.70 3.88 2.35 -0.76 0.32 115.58 122.68 2f67 h ASN 30 Ca 0.26 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2f67 h ASN 30 Cb 0.03 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2f67 h ASN 30 CO -0.04 0.83 0.28 0.11 -1.65 0.00 0.00 177.43 176.96 2f67 h LYS 31 N 1.05 1.04 -0.21 0.81 1.57 -0.89 -1.65 116.57 118.29 2f67 h LYS 31 Ca 0.26 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2f67 h LYS 31 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2f67 h LYS 31 CO -0.03 0.87 0.08 0.28 -0.57 0.00 0.00 179.45 180.07 2f67 h VAL 32 N 1.00 1.17 -0.42 0.50 2.07 -0.77 -2.28 116.25 117.51 2f67 h VAL 32 Ca 0.23 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2f67 h VAL 32 Cb 0.21 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2f67 h VAL 32 CO -0.02 0.17 0.16 0.03 0.02 0.00 0.00 177.57 177.93 2f67 h ARG 33 N 0.18 0.33 -0.59 1.57 3.08 -0.14 -1.12 114.38 117.70 2f67 h ARG 33 Ca 0.07 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2f67 h ARG 33 Cb 0.18 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2f67 h ARG 33 CO -0.01 0.22 0.20 1.49 -1.07 0.00 0.00 179.97 180.80 2f67 h GLU 34 N 0.34 0.90 -0.33 0.04 4.81 -1.23 -0.65 114.58 118.47 2f67 h GLU 34 Ca 0.19 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2f67 h GLU 34 Cb 0.16 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2f67 h GLU 34 CO -0.18 0.79 0.08 1.25 -0.73 0.00 0.00 179.01 180.22 2f67 h LEU 35 N 0.82 0.50 -0.46 1.64 5.85 -1.12 -3.18 115.31 119.36 2f67 h LEU 35 Ca 0.19 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 2f67 h LEU 35 Cb 0.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2f67 h LEU 35 CO -0.01 0.60 -0.73 -0.07 -0.34 0.00 0.00 178.44 177.89 2f67 h LEU 36 N 0.37 0.31 -0.99 2.25 4.07 -1.13 -3.20 115.31 117.00 2f67 h LEU 36 Ca 0.10 -0.21 0.13 0.00 0.08 0.00 0.00 57.88 57.98 2f67 h LEU 36 Cb 0.30 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 41.86 2f67 h LEU 36 CO 0.00 0.94 0.61 0.50 -1.08 0.00 0.00 178.44 179.41 2f67 h LYS 37 N 0.17 0.90 0.00 1.13 1.63 -1.10 -1.62 116.57 117.68 2f67 h LYS 37 Ca -0.03 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2f67 h LYS 37 Cb 1.30 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2f67 h LYS 37 CO 0.12 0.60 -0.03 0.87 -3.45 0.00 0.00 179.45 177.55 2f67 h LYS 38 N 0.93 0.00 -0.25 1.90 1.57 -1.57 -2.35 116.57 116.80 2f67 h LYS 38 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2f67 h LYS 38 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2f67 h LYS 38 CO -0.29 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.01 2f67 n GLU 39 N -3.53 2.87 -3.52 3.15 -0.58 -0.68 -4.98 120.64 113.37 2f67 n GLU 39 Ca -0.02 -2.00 -0.25 0.00 -0.42 0.00 0.00 57.16 54.46 2f67 n GLU 39 Cb 0.13 -1.26 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.15 -5.69 0.00 1.62 5.15 -0.88 -5.02 115.26 110.59 2f67 n ASN 40 Ca 0.10 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 2f67 n ASN 40 Cb 0.43 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -4.71 0.00 -3.77 3.44 0.31 -0.79 -4.23 118.33 108.58 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 -0.06 -0.16 0.00 -0.91 0.00 0.00 33.84 33.28 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 3.19 -0.02 -0.46 5.55 0.04 -1.26 -4.14 135.00 137.90 2f67 s PRO 43 Ca 0.00 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 2f67 s PRO 43 Cb 0.00 -0.22 0.07 0.00 0.04 0.00 0.00 34.50 34.38 2f67 s PRO 43 CO 0.00 -0.16 0.37 -0.51 0.04 0.00 0.00 177.00 176.74 2f67 s LEU 44 N 1.03 5.51 -0.18 -3.56 1.43 0.81 -4.91 118.68 118.81 2f67 s LEU 44 Ca -0.08 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 51.66 2f67 s LEU 44 Cb -0.12 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2f67 s LEU 44 CO -0.03 -0.61 0.05 -0.63 0.23 0.00 0.00 176.35 175.36 2f67 s ILE 45 N 1.63 4.63 0.48 -0.59 1.01 -1.26 -1.10 121.20 126.00 2f67 s ILE 45 Ca 0.04 -0.09 0.28 0.00 0.00 0.00 0.00 60.65 60.89 2f67 s ILE 45 Cb -0.23 -3.08 0.48 0.00 0.01 0.00 0.00 42.46 39.63 2f67 s ILE 45 CO 0.07 0.46 1.80 -0.65 0.00 0.00 0.00 174.94 176.61 2f67 h PRO 46 N 6.79 0.16 -0.02 2.79 0.11 -1.98 -0.99 132.00 138.86 2f67 h PRO 46 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2f67 h PRO 46 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2f67 h PRO 46 CO 0.68 0.10 -0.07 0.25 -0.21 0.00 0.00 178.00 178.75 2f67 n THR 47 N -4.38 0.00 -1.95 -1.15 -2.24 -1.26 -4.87 114.28 98.43 2f67 n THR 47 Ca 0.25 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2f67 n THR 47 Cb 1.06 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 70.05 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 -2.11 6.59 -1.59 3.42 1.11 -0.38 -2.69 116.67 121.02 2f67 s ASP 48 Ca 0.32 2.65 -0.13 0.00 0.18 0.00 0.00 52.55 55.57 2f67 s ASP 48 Cb 0.20 -2.61 0.10 0.00 1.07 0.00 0.00 42.92 41.69 2f67 s ASP 48 CO 0.37 -0.79 0.74 0.59 1.18 0.00 0.00 175.17 177.26 2f67 n ASN 49 N 3.31 -2.85 -4.71 0.27 4.13 -1.26 -4.81 115.26 109.35 2f67 n ASN 49 Ca 0.11 -0.96 -0.42 0.00 1.68 0.00 0.00 54.58 54.99 2f67 n ASN 49 Cb 0.39 -3.07 -0.03 0.00 -1.54 0.00 0.00 39.78 35.53 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 -6.77 4.15 1.00 3.52 2.12 -1.09 -5.00 118.70 116.63 2f67 s GLU 50 Ca 0.54 2.54 -0.16 0.00 0.36 0.00 0.00 54.97 58.25 2f67 s GLU 50 Cb -0.29 -3.34 0.20 0.00 0.26 0.00 0.00 34.13 30.97 2f67 s GLU 50 CO 0.90 -0.76 1.23 0.00 -0.54 0.00 0.00 175.26 176.09 2f67 s ALA 51 N 1.91 1.83 -0.10 6.30 0.00 -1.26 -5.03 121.76 125.41 2f67 s ALA 51 Ca 0.76 -0.99 0.19 0.00 0.00 0.00 0.00 51.96 51.92 2f67 s ALA 51 Cb -0.46 -2.86 -0.29 0.00 0.00 0.00 0.00 23.12 19.51 2f67 s ALA 51 CO 0.34 -2.62 0.28 0.25 0.00 0.00 0.00 175.76 174.01 2f67 n THR 52 N -3.96 0.58 -3.58 0.00 -2.24 -1.26 -4.84 114.28 98.99 2f67 n THR 52 Ca 0.13 -0.63 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 2f67 n THR 52 Cb 0.60 -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 -3.01 4.04 0.21 -0.78 2.02 -1.26 -5.00 118.70 114.91 2f67 s GLU 53 Ca -0.08 0.15 -0.10 0.00 0.02 0.00 0.00 54.97 54.95 2f67 s GLU 53 Cb 0.10 -3.33 0.29 0.00 0.10 0.00 0.00 34.13 31.29 2f67 s GLU 53 CO 0.83 0.44 1.68 0.00 0.02 0.00 0.00 175.26 178.24 2f67 h ALA 54 N 5.89 0.66 -0.19 5.21 0.00 -2.00 -0.81 119.26 128.02 2f67 h ALA 54 Ca -0.46 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2f67 h ALA 54 Cb 1.19 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2f67 h ALA 54 CO 0.69 -0.35 -0.05 -0.07 0.00 0.00 0.00 179.25 179.47 2f67 h LEU 55 N 0.19 0.26 -0.16 0.00 3.38 -1.99 -0.40 115.31 116.59 2f67 h LEU 55 Ca 0.32 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 2f67 h LEU 55 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2f67 h LEU 55 CO -0.46 0.36 -0.50 0.44 0.09 0.00 0.00 178.44 178.37 2f67 h ASP 56 N 0.28 0.71 -0.18 -0.43 3.32 -1.60 -0.95 116.42 117.56 2f67 h ASP 56 Ca 0.06 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.53 2f67 h ASP 56 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2f67 h ASP 56 CO 0.01 1.19 0.07 0.40 -1.72 0.00 0.00 179.24 179.19 2f67 h ILE 57 N 0.28 0.97 -0.34 0.35 2.04 -0.93 -1.28 117.51 118.60 2f67 h ILE 57 Ca -0.02 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2f67 h ILE 57 Cb 1.12 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2f67 h ILE 57 CO 0.11 0.03 0.17 -0.09 0.00 0.00 0.00 178.15 178.37 2f67 h ARG 58 N 0.16 0.34 -0.81 2.37 2.43 -1.07 -1.80 114.38 116.00 2f67 h ARG 58 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2f67 h ARG 58 Cb 0.04 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2f67 h ARG 58 CO -0.07 0.23 0.33 0.37 -1.51 0.00 0.00 179.97 179.32 2f67 h GLN 59 N 0.35 1.20 -0.50 0.20 5.75 -0.97 -0.86 115.11 120.28 2f67 h GLN 59 Ca 0.14 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 2f67 h GLN 59 Cb 0.05 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2f67 h GLN 59 CO -0.10 0.96 -0.04 0.87 -2.65 0.00 0.00 178.83 177.88 2f67 h LYS 60 N 1.18 0.87 -0.39 1.69 1.79 -1.00 -0.58 116.57 120.12 2f67 h LYS 60 Ca 0.27 -0.27 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2f67 h LYS 60 Cb 0.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2f67 h LYS 60 CO -0.02 0.90 -0.20 -0.91 -1.08 0.00 0.00 179.45 178.13 2f67 h ASN 61 N 0.80 0.86 -0.80 0.86 2.35 -0.93 -2.89 115.58 115.83 2f67 h ASN 61 Ca 0.14 -0.41 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 2f67 h ASN 61 Cb 0.53 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 2f67 h ASN 61 CO 0.03 1.08 0.51 0.40 -1.65 0.00 0.00 177.43 177.80 2f67 h ILE 62 N 0.64 1.14 0.00 2.81 2.04 -0.95 -2.10 117.51 121.09 2f67 h ILE 62 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2f67 h ILE 62 Cb 0.76 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2f67 h ILE 62 CO 0.06 0.18 0.00 1.67 0.00 0.00 0.00 178.15 180.06 2f67 n GLN 63 N -4.58 0.13 0.00 2.37 -0.06 -0.24 -1.19 117.38 113.81 2f67 n GLN 63 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2f67 n GLN 63 Cb 0.07 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 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 1.04 0.00 -0.04 1.69 5.41 -0.79 -0.70 119.36 125.96 2f67 n ILE 65 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2f67 n ILE 65 Cb 0.06 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.40 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 0.59 0.00 0.38 1.57 -1.43 -2.88 116.57 114.80 2f67 h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f67 h LYS 66 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2f67 h LYS 66 CO 0.00 0.39 -0.41 -0.25 -0.57 0.00 0.00 179.45 178.61 2f67 n ASP 67 N -4.47 0.58 -4.89 0.86 8.00 0.12 -4.95 116.55 111.80 2f67 n ASP 67 Ca 0.05 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 2f67 n ASP 67 Cb 0.09 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.72 0.61 -3.69 0.00 8.00 0.24 -4.98 116.55 114.00 2f67 n ASP 69 Ca 0.05 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 2f67 n ASP 69 Cb 0.56 0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.67 -0.87 -0.15 2.24 0.00 -1.13 -4.93 121.76 114.26 2f67 s ALA 70 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2f67 s ALA 70 Cb 0.08 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 2f67 s ALA 70 CO 0.83 -0.49 -0.02 0.08 0.00 0.00 0.00 175.76 176.16 2f67 s VAL 71 N -2.86 4.11 -0.27 0.00 1.01 -1.26 -1.08 120.40 120.04 2f67 s VAL 71 Ca -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2f67 s VAL 71 Cb 0.00 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2f67 s VAL 71 CO -0.05 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 174.98 2f67 s ILE 72 N 0.13 3.93 -0.16 2.22 1.01 -0.64 -0.72 121.20 126.96 2f67 s ILE 72 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 2f67 s ILE 72 Cb -0.13 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 2f67 s ILE 72 CO 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 174.94 175.07 2f67 s ALA 73 N 1.52 2.69 -0.68 9.38 0.00 0.46 -2.02 121.76 133.11 2f67 s ALA 73 Ca 0.04 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 2f67 s ALA 73 Cb -0.16 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.61 2f67 s ALA 73 CO 0.02 -0.01 1.13 0.34 0.00 0.00 0.00 175.76 177.23 2f67 s ASP 74 N 0.78 6.20 -0.44 0.00 -1.08 -0.16 -1.38 116.67 120.59 2f67 s ASP 74 Ca -0.04 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 2f67 s ASP 74 Cb -0.15 -2.50 0.67 0.00 -1.46 0.00 0.00 42.92 39.48 2f67 s ASP 74 CO 0.01 -1.61 1.91 0.18 0.52 0.00 0.00 175.17 176.18 2f67 n LEU 75 N 8.51 6.67 -4.73 -1.34 4.77 0.74 -4.42 117.00 127.21 2f67 n LEU 75 Ca 0.01 -3.61 -0.33 0.00 -0.03 0.00 0.00 56.01 52.05 2f67 n LEU 75 Cb 0.48 -0.83 0.10 0.00 -2.33 0.00 0.00 43.42 40.83 2f67 n LEU 75 CO 0.68 1.05 0.75 -0.44 -1.33 0.00 0.00 177.39 178.10 2f67 s SER 76 N -1.32 4.22 0.16 -1.43 0.01 -1.24 -4.45 113.70 109.64 2f67 s SER 76 Ca 0.57 2.18 -0.34 0.00 1.31 0.00 0.00 55.95 59.68 2f67 s SER 76 Cb 0.48 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.98 2f67 s SER 76 CO 0.11 -2.24 1.20 -0.81 0.41 0.00 0.00 173.24 171.91 2f67 n PRO 77 N -3.00 1.17 -3.73 12.44 -0.04 -1.26 -4.29 135.00 136.29 2f67 n PRO 77 Ca 0.12 0.42 -0.25 0.00 -0.04 0.00 0.00 63.50 63.75 2f67 n PRO 77 Cb 0.51 -1.94 -0.17 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.06 0.71 -1.44 0.54 5.36 -0.03 -4.82 117.98 118.23 2f67 s PHE 78 Ca 0.75 -0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 56.19 2f67 s PHE 78 Cb -0.87 -0.85 0.04 0.00 -0.34 0.00 0.00 43.02 41.00 2f67 s PHE 78 CO 0.51 -0.45 1.05 0.54 -1.46 0.00 0.00 175.22 175.41 2f67 n ARG 79 N 5.14 -6.68 0.00 10.12 1.74 -1.26 -4.53 116.66 121.19 2f67 n ARG 79 Ca -0.08 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 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 -1.83 0.84 0.04 -0.13 0.00 -1.26 -4.86 105.19 97.98 2f67 n GLY 80 Ca 0.02 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 6.29 0.32 -3.35 1.61 8.25 -1.26 -4.58 115.22 122.50 2f67 n HIS 81 Ca 0.00 0.09 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 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 4.00 1.10 -0.41 0.41 -1.26 -4.62 118.70 114.88 2f67 s GLU 82 Ca 0.13 0.52 -0.12 0.00 -0.41 0.00 0.00 54.97 55.08 2f67 s GLU 82 Cb 0.17 -2.95 0.25 0.00 -1.78 0.00 0.00 34.13 29.82 2f67 s GLU 82 CO 0.56 0.48 1.05 -2.14 -0.49 0.00 0.00 175.26 174.73 2f67 s PRO 83 N -1.91 -0.42 0.18 0.39 0.02 -1.26 -0.85 135.00 131.14 2f67 s PRO 83 Ca 0.37 0.89 -0.31 0.00 0.02 0.00 0.00 61.00 61.98 2f67 s PRO 83 Cb -0.15 -1.61 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 2f67 s PRO 83 CO 0.19 -3.41 1.43 0.34 -0.33 0.00 0.00 177.00 175.23 2f67 s ASP 84 N -2.69 6.73 0.32 2.53 2.15 -1.26 -4.69 116.67 119.75 2f67 s ASP 84 Ca 0.68 2.50 0.01 0.00 0.43 0.00 0.00 52.55 56.17 2f67 s ASP 84 Cb -0.24 -2.60 0.53 0.00 -0.30 0.00 0.00 42.92 40.31 2f67 s ASP 84 CO 0.63 -0.69 1.93 0.00 -0.17 0.00 0.00 175.17 176.87 2f67 h GLY 86 N 0.92 0.66 1.00 0.00 0.00 -1.99 -0.54 103.07 103.11 2f67 h GLY 86 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2f67 h GLY 86 CO -0.03 0.38 0.33 -0.84 0.00 0.00 0.00 176.54 176.39 2f67 h THR 87 N 0.48 1.21 -0.69 4.70 2.02 -1.86 -2.14 112.91 116.62 2f67 h THR 87 Ca 0.12 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.78 2f67 h THR 87 Cb 0.30 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2f67 h THR 87 CO 0.00 0.23 0.45 0.00 0.37 0.00 0.00 175.52 176.57 2f67 h ALA 88 N 1.15 0.89 -0.74 6.16 0.00 -0.96 -0.46 119.26 125.30 2f67 h ALA 88 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2f67 h ALA 88 Cb 0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2f67 h ALA 88 CO -0.03 0.26 0.43 0.35 0.00 0.00 0.00 179.25 180.25 2f67 h PHE 89 N 0.90 0.78 -0.38 0.00 3.57 -0.81 -1.23 116.94 119.78 2f67 h PHE 89 Ca 0.27 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 2f67 h PHE 89 Cb -0.05 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2f67 h PHE 89 CO -0.03 0.38 -0.22 0.93 -2.23 0.00 0.00 178.31 177.13 2f67 h GLU 90 N 0.78 0.75 -0.67 1.11 5.08 -0.70 -0.66 114.58 120.27 2f67 h GLU 90 Ca 0.33 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2f67 h GLU 90 Cb 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2f67 h GLU 90 CO -0.19 0.91 0.21 0.28 -1.00 0.00 0.00 179.01 179.22 2f67 h VAL 91 N 0.66 1.25 -0.56 3.13 2.07 -0.65 -1.24 116.25 120.91 2f67 h VAL 91 Ca 0.09 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2f67 h VAL 91 Cb 0.72 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2f67 h VAL 91 CO 0.06 0.33 0.16 1.23 0.02 0.00 0.00 177.57 179.37 2f67 h GLY 92 N 0.97 0.95 0.46 2.17 0.00 -0.89 -0.14 103.07 106.59 2f67 h GLY 92 Ca 0.22 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.01 2f67 h GLY 92 CO -0.01 0.53 -0.18 0.00 0.00 0.00 0.00 176.54 176.88 2f67 h ALA 94 N 0.74 0.79 -0.59 0.00 0.00 -1.04 -2.23 119.26 116.93 2f67 h ALA 94 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2f67 h ALA 94 Cb 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2f67 h ALA 94 CO -0.23 0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.63 2f67 h ALA 95 N 1.17 0.77 -0.01 0.00 0.00 -0.82 -1.61 119.26 118.77 2f67 h ALA 95 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2f67 h ALA 95 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2f67 h ALA 95 CO -0.04 0.02 -0.28 0.00 0.00 0.00 0.00 179.25 178.95 2f67 h ALA 96 N 1.29 1.53 -0.26 0.00 0.00 -1.00 -2.08 119.26 118.74 2f67 h ALA 96 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f67 h ALA 96 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2f67 h ALA 96 CO -0.14 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2f67 n LEU 97 N -4.20 1.90 -2.56 0.00 4.77 -0.87 -4.94 117.00 111.10 2f67 n LEU 97 Ca -0.02 -0.86 -0.20 0.00 -0.03 0.00 0.00 56.01 54.90 2f67 n LEU 97 Cb 0.33 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2f67 n LEU 97 CO 0.38 0.43 -0.19 0.59 -1.33 0.00 0.00 177.39 177.26 2f67 n ASN 98 N 0.49 -5.71 0.00 -1.43 3.02 -0.78 -5.05 115.26 105.80 2f67 n ASN 98 Ca 0.15 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2f67 n ASN 98 Cb 0.34 -4.73 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 -3.23 0.00 -3.37 3.52 4.76 -0.66 -5.04 118.16 114.13 2f67 n LYS 99 Ca -0.20 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.27 2f67 n LYS 99 Cb 0.66 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.80 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 0.20 -0.03 -0.07 -0.18 1.01 -1.26 -4.66 120.40 115.40 2f67 s VAL 101 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 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 -0.22 -0.76 0.00 0.00 0.00 175.10 174.12 2f67 s LEU 102 N 1.63 2.02 0.10 3.92 1.43 0.10 -4.92 118.68 122.97 2f67 s LEU 102 Ca -0.03 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2f67 s LEU 102 Cb -0.01 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2f67 s LEU 102 CO -0.13 0.18 -0.21 0.42 0.23 0.00 0.00 176.35 176.84 2f67 s THR 103 N 0.11 1.72 0.09 5.49 -4.23 -1.26 -0.40 115.64 117.15 2f67 s THR 103 Ca -0.10 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 2f67 s THR 103 Cb -0.15 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 2f67 s THR 103 CO 0.05 -0.06 0.03 0.72 -0.54 0.00 0.00 174.62 174.82 2f67 s PHE 104 N -1.17 0.62 -0.03 3.99 -0.71 -0.48 -1.35 117.98 118.85 2f67 s PHE 104 Ca 0.06 -1.09 -0.14 0.00 -1.04 0.00 0.00 56.93 54.73 2f67 s PHE 104 Cb -0.10 -0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.34 2f67 s PHE 104 CO 0.04 -0.46 0.30 -0.08 -1.34 0.00 0.00 175.22 173.69 2f67 s THR 105 N -3.97 0.05 -1.26 -4.49 -1.32 -0.86 -0.18 115.64 103.61 2f67 s THR 105 Ca 0.14 -0.41 0.22 0.00 -1.21 0.00 0.00 61.69 60.43 2f67 s THR 105 Cb 0.07 -0.58 0.31 0.00 -1.51 0.00 0.00 72.50 70.80 2f67 s THR 105 CO -0.05 -0.23 1.73 -1.54 -2.21 0.00 0.00 174.62 172.32 2f67 n SER 106 N 1.55 0.00 -3.58 8.08 3.41 -1.26 -4.51 113.62 117.31 2f67 n SER 106 Ca -0.20 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 2f67 n SER 106 Cb 0.56 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.74 3.47 0.00 4.04 -1.08 -1.26 -5.01 116.67 114.08 2f67 s ASP 107 Ca 0.17 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 2f67 s ASP 107 Cb 0.15 -0.42 0.88 0.00 -1.46 0.00 0.00 42.92 42.06 2f67 s ASP 107 CO 0.37 -0.42 1.64 0.54 0.52 0.00 0.00 175.17 177.81 2f67 n ARG 108 N 5.19 1.74 -1.77 4.34 3.00 -1.26 -4.93 116.66 122.97 2f67 n ARG 108 Ca -0.06 -1.10 -0.38 0.00 -0.01 0.00 0.00 57.85 56.31 2f67 n ARG 108 Cb 0.43 -1.45 0.05 0.00 0.00 0.00 0.00 32.46 31.49 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 -1.90 2.92 0.00 5.56 0.52 -1.26 -4.54 118.95 120.25 2f67 s ARG 109 Ca 0.35 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 2f67 s ARG 109 Cb 0.20 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.56 2f67 s ARG 109 CO 0.30 -1.34 0.00 0.09 0.02 0.00 0.00 175.30 174.37 2f67 n ASN 110 N -1.35 0.00 0.00 0.23 3.02 -1.26 -4.08 115.26 111.82 2f67 n ASN 110 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2f67 n ASN 110 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.03 3.52 1.74 -1.26 -1.39 116.66 119.24 2f67 n ARG 112 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2f67 n ARG 112 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 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 0.81 -0.34 5.56 5.08 -1.90 -0.16 114.58 123.63 2f67 h GLU 113 Ca 0.00 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2f67 h GLU 113 Cb 0.00 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2f67 h GLU 113 CO 0.00 1.26 0.20 0.87 -1.00 0.00 0.00 179.01 180.34 2f67 h LYS 114 N 0.56 0.47 0.00 2.33 1.57 -1.53 -2.93 116.57 117.05 2f67 h LYS 114 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2f67 h LYS 114 Cb 1.38 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2f67 h LYS 114 CO 0.16 0.37 -0.36 1.88 -0.57 0.00 0.00 179.45 180.92 2f67 h TYR 115 N 0.44 0.00 -0.19 -1.35 0.05 -1.84 -3.48 116.97 110.60 2f67 h TYR 115 Ca 0.12 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 2f67 h TYR 115 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 2f67 h TYR 115 CO -0.04 0.00 -0.08 0.41 -1.05 0.00 0.00 178.16 177.41 2f67 n GLY 116 N 1.32 0.67 3.75 3.88 0.00 -0.13 -4.95 105.19 109.74 2f67 n GLY 116 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.54 -0.12 0.00 1.61 0.15 -0.86 -5.00 113.70 106.94 2f67 s SER 117 Ca 0.00 -0.40 0.30 0.00 0.70 0.00 0.00 55.95 56.55 2f67 s SER 117 Cb 0.00 0.42 1.44 0.00 -1.71 0.00 0.00 66.02 66.17 2f67 s SER 117 CO 0.00 -0.80 1.99 0.61 1.20 0.00 0.00 173.24 176.25 2f67 n GLY 118 N -0.52 -1.14 3.12 9.45 0.00 -1.26 -4.53 105.19 110.31 2f67 n GLY 118 Ca -0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.50 0.61 0.22 1.61 -7.23 -1.26 -0.49 120.40 111.35 2f67 s VAL 119 Ca 0.30 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2f67 s VAL 119 Cb 0.20 -1.27 0.05 0.00 0.56 0.00 0.00 36.38 35.93 2f67 s VAL 119 CO 0.46 -0.70 0.30 -0.90 -0.31 0.00 0.00 175.10 173.95 2f67 n ASP 120 N 0.53 0.13 0.28 4.85 5.68 0.12 -4.85 116.55 123.29 2f67 n ASP 120 Ca -0.16 -1.17 0.19 0.00 -0.50 0.00 0.00 54.79 53.14 2f67 n ASP 120 Cb 0.58 -0.22 0.90 0.00 -1.14 0.00 0.00 41.12 41.24 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 -0.53 0.11 2.10 -1.94 -2.04 116.57 114.26 2f67 h LYS 121 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2f67 h LYS 121 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2f67 h LYS 121 CO 0.08 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.28 2f67 n ASP 122 N -2.90 3.76 -0.98 7.07 8.00 -1.26 -4.95 116.55 125.29 2f67 n ASP 122 Ca -0.01 -2.19 -0.10 0.00 0.71 0.00 0.00 54.79 53.20 2f67 n ASP 122 Cb 0.16 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.93 -3.70 -4.81 -2.24 5.15 -0.77 -5.03 115.26 104.80 2f67 n ASN 123 Ca 0.20 0.09 -0.38 0.00 -0.60 0.00 0.00 54.58 53.89 2f67 n ASN 123 Cb 0.64 -2.60 -0.06 0.00 -0.53 0.00 0.00 39.78 37.23 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 -2.62 4.47 0.26 1.20 1.43 -1.26 -4.80 118.68 117.35 2f67 s LEU 124 Ca 0.00 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 2f67 s LEU 124 Cb 0.00 -2.71 -0.11 0.00 0.03 0.00 0.00 46.19 43.40 2f67 s LEU 124 CO 0.00 0.27 1.53 -0.13 0.23 0.00 0.00 176.35 178.25 2f67 s ARG 125 N -0.89 4.19 -0.23 1.70 0.52 -1.26 -0.70 118.95 122.28 2f67 s ARG 125 Ca 0.26 2.44 -0.09 0.00 -0.52 0.00 0.00 55.73 57.81 2f67 s ARG 125 Cb -0.18 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 2f67 s ARG 125 CO 0.15 -0.54 0.13 0.08 0.02 0.00 0.00 175.30 175.14 2f67 s VAL 126 N 0.18 5.11 0.42 3.52 1.01 0.35 -4.84 120.40 126.16 2f67 s VAL 126 Ca 0.63 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 2f67 s VAL 126 Cb -0.45 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2f67 s VAL 126 CO 0.43 0.36 1.20 -0.62 0.00 0.00 0.00 175.10 176.47 2f67 n GLU 127 N 4.24 1.75 -3.22 2.72 1.02 -1.26 -4.78 120.64 121.12 2f67 n GLU 127 Ca -0.15 0.63 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 2f67 n GLU 127 Cb 0.52 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 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 0.92 5.04 0.14 0.62 0.00 -1.26 -4.22 105.19 106.43 2f67 n GLY 128 Ca 0.07 -2.72 0.04 0.00 0.00 0.00 0.00 46.02 43.41 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 0.42 0.10 -2.58 1.61 3.72 -1.26 -4.99 117.46 114.48 2f67 n PHE 129 Ca 0.30 -0.64 -0.15 0.00 -0.05 0.00 0.00 57.45 56.91 2f67 n PHE 129 Cb 0.41 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.61 -0.19 3.40 1.37 0.00 -1.26 -5.03 105.19 102.87 2f67 n GLY 130 Ca 0.06 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.56 2.38 0.04 0.99 1.43 -1.26 -4.88 118.68 112.82 2f67 s LEU 131 Ca 0.13 -0.81 0.25 0.00 -1.03 0.00 0.00 54.13 52.66 2f67 s LEU 131 Cb -0.06 -1.16 1.04 0.00 0.03 0.00 0.00 46.19 46.05 2f67 s LEU 131 CO 0.16 0.13 1.80 -0.81 0.23 0.00 0.00 176.35 177.86 2f67 n PRO 132 N 0.56 0.04 -3.83 1.29 -0.04 -1.26 -4.43 135.00 127.33 2f67 n PRO 132 Ca -0.15 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 2f67 n PRO 132 Cb 0.55 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 -3.03 0.06 0.00 0.54 -0.00 -1.26 -4.89 117.98 109.41 2f67 s PHE 133 Ca 0.12 -0.68 -0.39 0.00 -0.00 0.00 0.00 56.93 55.97 2f67 s PHE 133 Cb 0.16 0.78 -0.19 0.00 -0.00 0.00 0.00 43.02 43.77 2f67 s PHE 133 CO 0.47 -1.48 1.15 -1.71 -0.00 0.00 0.00 175.22 173.65 2f67 n ASN 134 N -1.16 0.40 -2.73 1.98 2.85 -1.26 -4.87 115.26 110.47 2f67 n ASN 134 Ca -0.07 1.15 -0.02 0.00 -0.11 0.00 0.00 54.58 55.53 2f67 n ASN 134 Cb 0.60 -0.98 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 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 1.82 0.63 0.00 1.20 -0.00 -1.26 -4.12 117.00 115.26 2f67 n LEU 135 Ca 0.20 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 2f67 n LEU 135 Cb 0.10 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 2f67 n LEU 135 CO 0.62 -0.61 0.00 0.18 -0.00 0.00 0.00 177.39 177.59 2f67 n LEU 137 N 3.86 0.00 -4.39 1.47 4.77 -1.26 -4.76 117.00 116.69 2f67 n LEU 137 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 2f67 n LEU 137 Cb 0.05 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2f67 n LEU 137 CO 0.38 0.00 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.61 2f67 s TYR 138 N 0.00 3.00 -0.43 -1.77 5.04 -1.26 -4.99 117.35 116.94 2f67 s TYR 138 Ca 0.00 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.04 2f67 s TYR 138 Cb 0.00 -2.09 0.17 0.00 0.35 0.00 0.00 41.96 40.39 2f67 s TYR 138 CO 0.00 -0.37 1.14 -0.40 -1.34 0.00 0.00 175.55 174.58 2f67 n ASP 139 N 4.47 2.52 0.00 4.32 5.75 -1.26 -4.98 116.55 127.37 2f67 n ASP 139 Ca -0.17 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 2f67 n ASP 139 Cb 0.51 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.09 2.92 3.76 6.12 0.00 -1.26 -5.07 105.19 111.58 2f67 n GLY 140 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.64 3.65 0.27 1.61 1.01 -1.26 -4.99 120.40 118.04 2f67 s VAL 141 Ca 0.00 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 2f67 s VAL 141 Cb 0.00 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 2f67 s VAL 141 CO 0.00 0.31 1.00 1.21 0.00 0.00 0.00 175.10 177.62 2f67 n GLU 142 N 0.97 1.25 -2.77 2.72 2.13 -1.26 -4.94 120.64 118.75 2f67 n GLU 142 Ca 0.00 0.44 -0.43 0.00 0.66 0.00 0.00 57.16 57.83 2f67 n GLU 142 Cb 0.46 -1.81 -0.03 0.00 0.27 0.00 0.00 31.44 30.33 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 4.60 0.67 6.31 1.01 -1.26 -4.61 120.40 126.20 2f67 s VAL 143 Ca 0.61 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.92 2f67 s VAL 143 Cb -0.74 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.33 2f67 s VAL 143 CO 0.58 -0.45 1.03 -0.36 0.00 0.00 0.00 175.10 175.91 2f67 s PHE 144 N 3.44 3.27 -0.59 5.22 0.08 -0.46 -4.93 117.98 124.01 2f67 s PHE 144 Ca 0.40 0.88 0.24 0.00 0.12 0.00 0.00 56.93 58.57 2f67 s PHE 144 Cb -0.12 -2.98 0.26 0.00 -0.57 0.00 0.00 43.02 39.60 2f67 s PHE 144 CO 0.16 -1.09 1.25 -0.44 -0.10 0.00 0.00 175.22 174.99 2f67 h ASP 145 N -0.51 0.00 -4.98 1.36 3.32 -1.87 -2.29 116.42 111.45 2f67 h ASP 145 Ca -0.45 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.43 2f67 h ASP 145 Cb 1.26 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.71 2f67 h ASP 145 CO 0.63 0.11 0.28 -0.94 -1.72 0.00 0.00 179.24 177.60 2f67 s SER 146 N -4.33 -0.41 0.18 6.45 1.04 -1.26 -4.53 113.70 110.84 2f67 s SER 146 Ca 0.05 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 2f67 s SER 146 Cb 0.13 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.97 2f67 s SER 146 CO 0.74 -1.02 1.80 0.15 0.98 0.00 0.00 173.24 175.89 2f67 h PHE 147 N 2.00 0.55 -0.76 5.02 3.57 -1.96 -2.62 116.94 122.74 2f67 h PHE 147 Ca -0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 2f67 h PHE 147 Cb 1.28 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 2f67 h PHE 147 CO 0.31 0.30 0.41 1.49 -2.23 0.00 0.00 178.31 178.58 2f67 h GLU 148 N 0.58 1.06 -0.39 1.11 4.81 -1.98 0.76 114.58 120.53 2f67 h GLU 148 Ca 0.22 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2f67 h GLU 148 Cb 0.07 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2f67 h GLU 148 CO -0.12 0.79 -0.16 0.66 -0.73 0.00 0.00 179.01 179.45 2f67 h SER 149 N 1.05 0.72 -0.60 1.04 4.64 -1.94 -0.83 113.55 117.62 2f67 h SER 149 Ca 0.27 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2f67 h SER 149 Cb 0.05 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2f67 h SER 149 CO -0.04 0.89 0.17 0.00 -0.87 0.00 0.00 176.83 176.98 2f67 h ALA 150 N 1.18 0.79 -0.47 5.18 0.00 -1.05 -2.76 119.26 122.14 2f67 h ALA 150 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2f67 h ALA 150 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2f67 h ALA 150 CO 0.04 0.48 0.13 0.35 0.00 0.00 0.00 179.25 180.26 2f67 h PHE 151 N 0.87 0.70 -0.85 0.00 3.57 -0.40 -1.44 116.94 119.39 2f67 h PHE 151 Ca 0.19 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2f67 h PHE 151 Cb 0.31 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2f67 h PHE 151 CO 0.02 0.59 0.40 0.87 -2.23 0.00 0.00 178.31 177.96 2f67 h LYS 152 N 0.68 1.23 -0.56 1.11 1.57 -0.93 -1.17 116.57 118.50 2f67 h LYS 152 Ca 0.16 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2f67 h LYS 152 Cb 0.22 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2f67 h LYS 152 CO -0.01 0.95 0.29 -0.92 -0.57 0.00 0.00 179.45 179.19 2f67 h TYR 153 N 1.22 0.79 -0.45 -1.35 3.20 -1.11 -2.03 116.97 117.24 2f67 h TYR 153 Ca 0.29 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.20 2f67 h TYR 153 Cb 0.13 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2f67 h TYR 153 CO 0.02 0.59 0.14 0.35 -1.64 0.00 0.00 178.16 177.61 2f67 h PHE 154 N 0.75 0.24 -0.24 -3.82 3.57 -0.70 -1.20 116.94 115.55 2f67 h PHE 154 Ca 0.20 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2f67 h PHE 154 Cb 0.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2f67 h PHE 154 CO -0.01 0.07 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.95 2f67 h LEU 155 N 0.30 0.37 -0.03 0.59 3.38 -0.93 0.27 115.31 119.26 2f67 h LEU 155 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2f67 h LEU 155 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2f67 h LEU 155 CO -0.24 0.53 -0.19 0.00 0.09 0.00 0.00 178.44 178.63 2f67 h ALA 156 N 1.52 0.88 0.00 1.53 0.00 -0.86 -3.38 119.26 118.95 2f67 h ALA 156 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2f67 h ALA 156 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2f67 h ALA 156 CO 0.02 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.60 2f67 n ASN 157 N -3.15 0.30 -3.44 0.00 3.02 -0.50 -4.78 115.26 106.70 2f67 n ASN 157 Ca 0.03 -0.65 -0.26 0.00 -0.03 0.00 0.00 54.58 53.67 2f67 n ASN 157 Cb 0.60 0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.70 0.56 -1.55 3.10 7.35 0.92 -5.04 117.46 122.10 2f67 n PHE 158 Ca 0.00 -3.67 -0.30 0.00 -0.76 0.00 0.00 57.45 52.72 2f67 n PHE 158 Cb 0.00 -0.16 0.08 0.00 0.35 0.00 0.00 39.48 39.75 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 -0.85 2.40 0.00 -7.13 0.04 -1.26 -4.73 135.00 123.46 2f67 s PRO 159 Ca 0.33 0.77 0.22 0.00 0.04 0.00 0.00 61.00 62.36 2f67 s PRO 159 Cb 0.07 -1.94 1.32 0.00 0.04 0.00 0.00 34.50 33.98 2f67 s PRO 159 CO -0.15 -1.43 1.69 0.43 0.04 0.00 0.00 177.00 177.58