#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f62 n HIS 4 N 0.00 -1.55 -2.14 1.57 -0.00 -1.26 -4.96 115.22 106.89 2f62 n HIS 4 Ca 0.00 0.71 -0.34 0.00 -0.00 0.00 0.00 57.72 58.10 2f62 n HIS 4 Cb 0.00 -3.40 0.01 0.00 -0.00 0.00 0.00 29.99 26.60 2f62 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f62 s HIS 5 N -4.01 2.78 0.29 4.41 0.09 -1.26 -5.00 115.29 112.60 2f62 s HIS 5 Ca 0.08 1.54 -0.30 0.00 -0.00 0.00 0.00 55.06 56.38 2f62 s HIS 5 Cb -0.04 -3.16 -0.12 0.00 -0.00 0.00 0.00 32.58 29.25 2f62 s HIS 5 CO 0.92 -1.38 1.51 1.58 -0.00 0.00 0.00 174.74 177.37 2f62 n HIS 6 N -1.68 2.63 -3.97 1.40 -0.00 -1.26 -5.00 115.22 107.34 2f62 n HIS 6 Ca 0.10 0.35 -0.35 0.00 -0.00 0.00 0.00 57.72 57.82 2f62 n HIS 6 Cb 0.52 -2.54 -0.14 0.00 -0.00 0.00 0.00 29.99 27.83 2f62 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f62 s HIS 7 N -0.21 2.91 0.00 1.57 3.76 -1.26 -5.23 115.29 116.83 2f62 s HIS 7 Ca 0.63 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2f62 s HIS 7 Cb -0.54 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.09 2f62 s HIS 7 CO 0.51 -0.60 0.00 1.58 -0.85 0.00 0.00 174.74 175.38 2f62 n HIS 8 N 4.74 -0.21 -4.46 1.40 -0.00 -1.26 -5.25 115.22 110.17 2f62 n HIS 8 Ca -0.19 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.78 2f62 n HIS 8 Cb 0.51 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.24 2f62 n HIS 8 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2f62 s ARG 10 N -0.12 1.05 -0.03 1.57 0.52 -1.26 -5.06 118.95 115.62 2f62 s ARG 10 Ca 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2f62 s ARG 10 Cb 0.00 -1.06 0.01 0.00 0.52 0.00 0.00 34.95 34.42 2f62 s ARG 10 CO 0.00 0.27 -0.05 0.15 0.02 0.00 0.00 175.30 175.69 2f62 s LYS 11 N -0.97 0.68 -0.12 3.54 1.02 -1.26 -4.48 119.74 118.14 2f62 s LYS 11 Ca 0.03 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.89 2f62 s LYS 11 Cb -0.07 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 2f62 s LYS 11 CO 0.01 0.02 -0.18 0.42 -0.92 0.00 0.00 175.35 174.69 2f62 s ILE 12 N 0.45 1.75 0.01 2.17 1.01 -1.26 -0.66 121.20 124.66 2f62 s ILE 12 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 2f62 s ILE 12 Cb -0.09 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2f62 s ILE 12 CO -0.00 0.49 1.13 -0.47 0.00 0.00 0.00 174.94 176.08 2f62 s TYR 13 N 0.88 3.45 -0.95 3.97 5.04 -0.32 -0.42 117.35 129.01 2f62 s TYR 13 Ca -0.08 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 55.87 2f62 s TYR 13 Cb -0.15 -3.32 0.24 0.00 0.35 0.00 0.00 41.96 39.08 2f62 s TYR 13 CO -0.01 -0.86 0.90 0.42 -1.34 0.00 0.00 175.55 174.65 2f62 s ILE 14 N 1.37 5.53 0.06 3.14 -1.09 -0.30 -1.67 121.20 128.24 2f62 s ILE 14 Ca 0.55 -3.07 -0.21 0.00 -2.23 0.00 0.00 60.65 55.69 2f62 s ILE 14 Cb -0.25 -4.38 -0.06 0.00 -1.58 0.00 0.00 42.46 36.19 2f62 s ILE 14 CO 0.26 -1.09 0.63 0.00 -1.23 0.00 0.00 174.94 173.51 2f62 s ALA 15 N -0.64 3.51 0.00 9.38 0.00 -0.83 -4.42 121.76 128.75 2f62 s ALA 15 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2f62 s ALA 15 Cb -0.10 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2f62 s ALA 15 CO -0.09 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.36 2f62 n GLY 16 N 2.01 3.31 0.01 0.00 0.00 -1.26 -0.88 105.19 108.38 2f62 n GLY 16 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2f62 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f62 n PRO 17 N -1.15 0.92 -0.13 1.61 -0.04 -1.26 -3.88 135.00 131.07 2f62 n PRO 17 Ca 0.00 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.69 2f62 n PRO 17 Cb 0.00 -1.01 0.65 0.00 -0.04 0.00 0.00 33.50 33.10 2f62 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f62 h ALA 18 N 2.82 2.53 -0.21 0.55 0.00 -1.95 -0.34 119.26 122.66 2f62 h ALA 18 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2f62 h ALA 18 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2f62 h ALA 18 CO 0.00 -0.75 0.30 -0.24 0.00 0.00 0.00 179.25 178.56 2f62 h VAL 19 N 0.12 0.32 -0.02 0.00 3.04 -1.91 -0.60 116.25 117.20 2f62 h VAL 19 Ca 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 2f62 h VAL 19 Cb 1.28 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2f62 h VAL 19 CO -0.05 0.00 -0.11 0.49 -1.01 0.00 0.00 177.57 176.89 2f62 n PHE 20 N -3.55 0.00 -1.29 3.17 3.72 -0.14 -4.26 117.46 115.11 2f62 n PHE 20 Ca 0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.08 2f62 n PHE 20 Cb 0.42 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 39.04 2f62 n PHE 20 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2f62 s ASN 21 N -2.18 3.86 0.45 4.37 0.01 -0.28 -4.88 114.94 116.28 2f62 s ASN 21 Ca 0.31 2.46 0.23 0.00 -0.71 0.00 0.00 52.86 55.15 2f62 s ASN 21 Cb 0.20 -2.60 1.23 0.00 0.41 0.00 0.00 41.25 40.49 2f62 s ASN 21 CO 0.40 -2.49 1.84 -0.65 -1.51 0.00 0.00 177.10 174.68 2f62 h PRO 22 N -0.48 0.26 0.00 -0.60 0.11 -1.91 -3.36 132.00 126.02 2f62 h PRO 22 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f62 h PRO 22 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2f62 h PRO 22 CO 0.48 0.17 -0.36 0.38 -0.21 0.00 0.00 178.00 178.46 2f62 h ASP 23 N 0.27 0.00 0.00 -2.05 2.03 -1.91 -3.51 116.42 111.25 2f62 h ASP 23 Ca 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 2f62 h ASP 23 Cb 1.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 2f62 h ASP 23 CO -0.15 0.61 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 2f62 n GLY 25 N 1.67 0.00 0.24 7.15 0.00 -0.89 -4.77 105.19 108.58 2f62 n GLY 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2f62 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f62 h ALA 26 N 0.00 0.51 -0.57 4.61 0.00 -1.94 0.14 119.26 122.01 2f62 h ALA 26 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2f62 h ALA 26 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2f62 h ALA 26 CO 0.00 -0.42 0.15 0.66 0.00 0.00 0.00 179.25 179.64 2f62 h SER 27 N 0.04 0.86 0.07 0.00 4.64 -1.97 0.12 113.55 117.32 2f62 h SER 27 Ca 0.32 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2f62 h SER 27 Cb 0.50 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2f62 h SER 27 CO -0.61 0.86 -0.03 0.22 -0.87 0.00 0.00 176.83 176.40 2f62 h TYR 28 N 0.82 -0.09 -0.68 4.77 3.20 -1.76 -2.67 116.97 120.56 2f62 h TYR 28 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2f62 h TYR 28 Cb 0.33 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2f62 h TYR 28 CO 0.02 0.21 0.25 1.88 -1.64 0.00 0.00 178.16 178.89 2f62 h TYR 29 N -0.39 1.02 -0.76 -3.82 0.05 -0.65 -0.53 116.97 111.89 2f62 h TYR 29 Ca -0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2f62 h TYR 29 Cb 0.34 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 2f62 h TYR 29 CO 0.02 0.79 0.38 -0.91 -1.05 0.00 0.00 178.16 177.40 2f62 h ASN 30 N 0.98 0.97 -0.58 3.88 2.35 -0.79 0.28 115.58 122.68 2f62 h ASN 30 Ca 0.23 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2f62 h ASN 30 Cb 0.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2f62 h ASN 30 CO -0.02 0.82 0.16 0.11 -1.65 0.00 0.00 177.43 176.85 2f62 h LYS 31 N 1.06 0.91 -0.21 0.81 1.57 -1.09 -1.56 116.57 118.05 2f62 h LYS 31 Ca 0.26 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2f62 h LYS 31 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2f62 h LYS 31 CO -0.04 0.83 0.12 0.28 -0.57 0.00 0.00 179.45 180.07 2f62 h VAL 32 N 0.82 1.11 -0.54 0.50 2.07 -0.73 -1.98 116.25 117.50 2f62 h VAL 32 Ca 0.18 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.47 2f62 h VAL 32 Cb 0.31 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2f62 h VAL 32 CO -0.00 0.11 0.24 0.03 0.02 0.00 0.00 177.57 177.96 2f62 h ARG 33 N 0.24 0.45 -0.46 1.57 3.08 -0.27 -1.09 114.38 117.89 2f62 h ARG 33 Ca 0.07 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2f62 h ARG 33 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2f62 h ARG 33 CO -0.01 0.30 0.07 1.49 -1.07 0.00 0.00 179.97 180.75 2f62 h GLU 34 N 0.46 0.76 -0.35 0.04 4.81 -1.16 -0.92 114.58 118.23 2f62 h GLU 34 Ca 0.25 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2f62 h GLU 34 Cb 0.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2f62 h GLU 34 CO -0.21 0.78 0.09 1.25 -0.73 0.00 0.00 179.01 180.19 2f62 h LEU 35 N 0.63 0.53 -0.35 1.64 5.85 -1.07 -3.19 115.31 119.34 2f62 h LEU 35 Ca 0.14 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 2f62 h LEU 35 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2f62 h LEU 35 CO 0.01 0.61 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.91 2f62 h LEU 36 N 0.42 0.58 -0.94 2.25 4.07 -1.15 -3.19 115.31 117.35 2f62 h LEU 36 Ca 0.11 -0.38 0.15 0.00 0.08 0.00 0.00 57.88 57.84 2f62 h LEU 36 Cb 0.29 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 41.76 2f62 h LEU 36 CO -0.00 1.13 0.54 0.50 -1.08 0.00 0.00 178.44 179.54 2f62 h LYS 37 N 0.33 0.75 0.00 1.13 1.63 -1.17 -1.10 116.57 118.14 2f62 h LYS 37 Ca -0.04 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2f62 h LYS 37 Cb 1.33 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2f62 h LYS 37 CO 0.13 0.49 -0.01 0.87 -3.45 0.00 0.00 179.45 177.49 2f62 h LYS 38 N 0.77 0.00 -0.27 1.90 1.57 -1.54 -2.19 116.57 116.81 2f62 h LYS 38 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2f62 h LYS 38 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2f62 h LYS 38 CO -0.34 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 178.94 2f62 n GLU 39 N -3.17 2.88 -3.37 3.15 -0.58 -0.50 -4.98 120.64 114.08 2f62 n GLU 39 Ca -0.02 -2.00 -0.24 0.00 -0.42 0.00 0.00 57.16 54.48 2f62 n GLU 39 Cb 0.15 -1.26 0.04 0.00 -0.57 0.00 0.00 31.44 29.81 2f62 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f62 n ASN 40 N 0.23 -5.69 0.00 1.62 5.15 -0.82 -5.02 115.26 110.73 2f62 n ASN 40 Ca 0.10 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 2f62 n ASN 40 Cb 0.42 -4.56 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 2f62 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f62 n VAL 41 N -4.61 0.00 -4.14 3.44 0.31 -0.71 -4.22 118.33 108.40 2f62 n VAL 41 Ca -0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.12 2f62 n VAL 41 Cb 0.58 -0.07 -0.15 0.00 -0.91 0.00 0.00 33.84 33.28 2f62 n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f62 s PRO 43 N 3.09 0.55 -0.43 5.55 0.04 -1.26 -3.98 135.00 138.56 2f62 s PRO 43 Ca 0.00 -0.13 -0.10 0.00 0.04 0.00 0.00 61.00 60.81 2f62 s PRO 43 Cb 0.00 -0.57 0.08 0.00 0.04 0.00 0.00 34.50 34.05 2f62 s PRO 43 CO 0.00 0.02 0.29 -0.51 0.04 0.00 0.00 177.00 176.84 2f62 s LEU 44 N 0.35 5.26 -0.18 -3.56 1.43 0.44 -4.90 118.68 117.53 2f62 s LEU 44 Ca -0.04 -1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.51 2f62 s LEU 44 Cb -0.08 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2f62 s LEU 44 CO -0.00 -0.56 0.06 -0.63 0.23 0.00 0.00 176.35 175.44 2f62 s ILE 45 N 1.46 4.77 0.47 -0.59 1.01 -1.26 -1.15 121.20 125.91 2f62 s ILE 45 Ca 0.03 -0.04 0.26 0.00 0.00 0.00 0.00 60.65 60.90 2f62 s ILE 45 Cb -0.23 -3.14 0.45 0.00 0.01 0.00 0.00 42.46 39.54 2f62 s ILE 45 CO 0.03 0.47 1.83 -0.65 0.00 0.00 0.00 174.94 176.62 2f62 h PRO 46 N 6.58 0.20 -0.02 2.79 0.11 -1.98 -1.14 132.00 138.54 2f62 h PRO 46 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2f62 h PRO 46 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2f62 h PRO 46 CO 0.69 0.13 -0.09 0.25 -0.21 0.00 0.00 178.00 178.78 2f62 n THR 47 N -4.41 0.00 -1.89 -1.15 -2.24 -1.26 -4.88 114.28 98.46 2f62 n THR 47 Ca 0.22 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2f62 n THR 47 Cb 0.94 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 2f62 n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2f62 s ASP 48 N -2.14 6.53 -1.48 3.42 1.11 -0.43 -2.74 116.67 120.93 2f62 s ASP 48 Ca 0.32 2.73 -0.03 0.00 0.18 0.00 0.00 52.55 55.75 2f62 s ASP 48 Cb 0.20 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.61 2f62 s ASP 48 CO 0.38 -0.84 0.37 0.59 1.18 0.00 0.00 175.17 176.85 2f62 n ASN 49 N 3.37 -0.39 -4.70 0.27 4.13 -1.26 -4.80 115.26 111.88 2f62 n ASN 49 Ca 0.12 -1.07 -0.42 0.00 1.68 0.00 0.00 54.58 54.89 2f62 n ASN 49 Cb 0.38 -2.67 -0.03 0.00 -1.54 0.00 0.00 39.78 35.92 2f62 n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f62 s GLU 50 N -6.80 4.23 1.00 3.52 2.12 -1.11 -5.01 118.70 116.65 2f62 s GLU 50 Ca 0.10 2.26 -0.16 0.00 0.36 0.00 0.00 54.97 57.53 2f62 s GLU 50 Cb -0.06 -3.43 0.20 0.00 0.26 0.00 0.00 34.13 31.10 2f62 s GLU 50 CO 0.92 -0.64 1.24 0.00 -0.54 0.00 0.00 175.26 176.24 2f62 s ALA 51 N 2.02 1.85 -0.12 6.30 0.00 -1.26 -5.03 121.76 125.53 2f62 s ALA 51 Ca 0.70 -1.01 0.20 0.00 0.00 0.00 0.00 51.96 51.85 2f62 s ALA 51 Cb -0.39 -2.85 -0.29 0.00 0.00 0.00 0.00 23.12 19.59 2f62 s ALA 51 CO 0.31 -2.61 0.26 0.25 0.00 0.00 0.00 175.76 173.97 2f62 n THR 52 N -3.95 0.73 -3.50 0.00 -2.24 -1.26 -4.84 114.28 99.23 2f62 n THR 52 Ca 0.13 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.85 2f62 n THR 52 Cb 0.60 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 2f62 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f62 s GLU 53 N -2.97 4.11 0.21 -0.78 2.02 -1.26 -5.00 118.70 115.03 2f62 s GLU 53 Ca -0.09 0.26 -0.13 0.00 0.02 0.00 0.00 54.97 55.04 2f62 s GLU 53 Cb 0.10 -3.35 0.25 0.00 0.10 0.00 0.00 34.13 31.23 2f62 s GLU 53 CO 0.86 0.40 1.64 0.00 0.02 0.00 0.00 175.26 178.18 2f62 h ALA 54 N 5.94 0.47 -0.21 5.21 0.00 -2.00 -1.07 119.26 127.60 2f62 h ALA 54 Ca -0.45 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2f62 h ALA 54 Cb 1.19 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2f62 h ALA 54 CO 0.70 -0.42 -0.05 -0.07 0.00 0.00 0.00 179.25 179.41 2f62 h LEU 55 N 0.03 0.30 -0.19 0.00 3.38 -1.99 -0.39 115.31 116.46 2f62 h LEU 55 Ca 0.30 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 2f62 h LEU 55 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2f62 h LEU 55 CO -0.60 0.40 -0.37 0.44 0.09 0.00 0.00 178.44 178.40 2f62 h ASP 56 N 0.31 0.65 -0.31 -0.43 3.32 -1.65 -0.53 116.42 117.78 2f62 h ASP 56 Ca 0.07 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.59 2f62 h ASP 56 Cb 0.29 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2f62 h ASP 56 CO 0.01 1.08 0.15 0.40 -1.72 0.00 0.00 179.24 179.17 2f62 h ILE 57 N 0.24 0.99 -0.31 0.35 2.04 -0.94 -0.92 117.51 118.96 2f62 h ILE 57 Ca 0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2f62 h ILE 57 Cb 0.97 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2f62 h ILE 57 CO 0.08 0.06 0.20 -0.09 0.00 0.00 0.00 178.15 178.40 2f62 h ARG 58 N 0.32 0.42 -0.72 2.37 2.43 -1.04 -1.55 114.38 116.62 2f62 h ARG 58 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2f62 h ARG 58 Cb 0.04 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2f62 h ARG 58 CO -0.09 0.31 0.40 0.37 -1.51 0.00 0.00 179.97 179.45 2f62 h GLN 59 N 0.41 1.00 -0.73 0.20 5.75 -0.86 -0.29 115.11 120.60 2f62 h GLN 59 Ca 0.11 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2f62 h GLN 59 Cb -0.01 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 2f62 h GLN 59 CO -0.02 0.75 0.27 -0.22 -2.65 0.00 0.00 178.83 176.95 2f62 h LYS 60 N 0.99 1.09 -0.39 1.69 3.64 -0.97 -0.36 116.57 122.25 2f62 h LYS 60 Ca 0.25 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2f62 h LYS 60 Cb 0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2f62 h LYS 60 CO -0.04 0.90 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.88 2f62 h ASN 61 N 1.06 0.90 -0.83 4.20 2.35 -0.72 -2.87 115.58 119.67 2f62 h ASN 61 Ca 0.24 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2f62 h ASN 61 Cb 0.23 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2f62 h ASN 61 CO -0.02 1.13 0.48 0.40 -1.65 0.00 0.00 177.43 177.77 2f62 h ILE 62 N 0.67 1.24 0.00 2.81 2.04 -0.86 -2.21 117.51 121.20 2f62 h ILE 62 Ca 0.08 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2f62 h ILE 62 Cb 0.82 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2f62 h ILE 62 CO 0.07 0.25 0.00 1.67 0.00 0.00 0.00 178.15 180.14 2f62 n GLN 63 N -4.42 0.11 0.00 2.37 -0.06 -0.16 -1.24 117.38 113.97 2f62 n GLN 63 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2f62 n GLN 63 Cb 0.07 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 2f62 n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f62 n ILE 65 N 1.03 0.00 -0.14 1.69 5.41 -0.83 -0.90 119.36 125.62 2f62 n ILE 65 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 2f62 n ILE 65 Cb 0.05 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.39 2f62 n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f62 h LYS 66 N 0.00 0.61 0.00 0.38 1.57 -1.46 -2.82 116.57 114.85 2f62 h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f62 h LYS 66 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2f62 h LYS 66 CO 0.00 0.40 -0.51 -0.25 -0.57 0.00 0.00 179.45 178.52 2f62 n ASP 67 N -4.48 0.59 -4.88 0.86 8.00 -0.08 -4.95 116.55 111.61 2f62 n ASP 67 Ca 0.10 0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 2f62 n ASP 67 Cb 0.27 0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 2f62 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f62 n ASP 69 N -2.69 1.14 -3.67 0.00 8.00 0.17 -4.99 116.55 114.51 2f62 n ASP 69 Ca 0.05 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.83 2f62 n ASP 69 Cb 0.55 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2f62 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f62 s ALA 70 N -2.59 -0.86 -0.15 2.24 0.00 -1.15 -4.95 121.76 114.31 2f62 s ALA 70 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2f62 s ALA 70 Cb 0.08 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2f62 s ALA 70 CO 0.81 -0.57 0.00 0.08 0.00 0.00 0.00 175.76 176.08 2f62 s VAL 71 N -3.44 4.25 -0.28 0.00 1.01 -1.26 -1.17 120.40 119.51 2f62 s VAL 71 Ca 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 2f62 s VAL 71 Cb 0.01 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2f62 s VAL 71 CO -0.09 0.50 0.07 -0.63 0.00 0.00 0.00 175.10 174.95 2f62 s ILE 72 N 0.14 4.05 -0.17 2.22 1.01 -0.67 -0.48 121.20 127.29 2f62 s ILE 72 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2f62 s ILE 72 Cb -0.13 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 2f62 s ILE 72 CO 0.02 0.18 -0.08 0.00 0.00 0.00 0.00 174.94 175.07 2f62 s ALA 73 N 1.54 2.77 -0.69 9.38 0.00 0.57 -1.97 121.76 133.36 2f62 s ALA 73 Ca 0.04 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.76 2f62 s ALA 73 Cb -0.16 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.53 2f62 s ALA 73 CO 0.02 -0.04 1.10 0.34 0.00 0.00 0.00 175.76 177.19 2f62 s ASP 74 N 0.82 6.18 -0.45 0.00 -1.08 -0.06 -1.34 116.67 120.74 2f62 s ASP 74 Ca -0.03 -0.71 0.04 0.00 -0.52 0.00 0.00 52.55 51.33 2f62 s ASP 74 Cb -0.15 -2.48 0.66 0.00 -1.46 0.00 0.00 42.92 39.49 2f62 s ASP 74 CO 0.01 -1.61 1.90 0.18 0.52 0.00 0.00 175.17 176.18 2f62 n LEU 75 N 8.43 6.64 -4.71 -1.34 4.77 0.53 -4.45 117.00 126.87 2f62 n LEU 75 Ca -0.00 -3.64 -0.33 0.00 -0.03 0.00 0.00 56.01 52.01 2f62 n LEU 75 Cb 0.47 -0.83 0.12 0.00 -2.33 0.00 0.00 43.42 40.84 2f62 n LEU 75 CO 0.67 1.07 0.74 -0.44 -1.33 0.00 0.00 177.39 178.11 2f62 s SER 76 N -1.38 3.83 0.15 -1.43 0.01 -1.23 -4.45 113.70 109.20 2f62 s SER 76 Ca 0.57 2.22 -0.34 0.00 1.31 0.00 0.00 55.95 59.71 2f62 s SER 76 Cb 0.48 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.98 2f62 s SER 76 CO 0.10 -2.50 1.31 -0.81 0.41 0.00 0.00 173.24 171.75 2f62 n PRO 77 N -3.32 1.42 -3.80 12.44 -0.04 -1.26 -4.26 135.00 136.18 2f62 n PRO 77 Ca 0.12 0.51 -0.26 0.00 -0.04 0.00 0.00 63.50 63.83 2f62 n PRO 77 Cb 0.51 -2.11 -0.17 0.00 -0.04 0.00 0.00 33.50 31.69 2f62 n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f62 s PHE 78 N 0.18 1.07 -1.44 0.54 5.36 -0.03 -4.81 117.98 118.85 2f62 s PHE 78 Ca 0.77 -0.60 -0.09 0.00 -0.96 0.00 0.00 56.93 56.05 2f62 s PHE 78 Cb -0.83 -1.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.86 2f62 s PHE 78 CO 0.48 -0.48 0.98 0.54 -1.46 0.00 0.00 175.22 175.28 2f62 n ARG 79 N 5.04 -6.67 0.00 10.12 1.74 -1.26 -4.50 116.66 121.14 2f62 n ARG 79 Ca -0.09 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2f62 n ARG 79 Cb 0.49 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.15 2f62 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f62 n GLY 80 N -1.81 0.74 0.05 -0.13 0.00 -1.26 -4.86 105.19 97.92 2f62 n GLY 80 Ca -0.02 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 44.04 2f62 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f62 n HIS 81 N 4.47 0.41 -3.29 1.61 8.25 -1.26 -4.56 115.22 120.85 2f62 n HIS 81 Ca 0.00 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 2f62 n HIS 81 Cb 0.00 -0.70 -0.06 0.00 1.12 0.00 0.00 29.99 30.35 2f62 n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f62 s GLU 82 N -3.06 4.06 1.09 -0.41 0.41 -1.26 -4.62 118.70 114.91 2f62 s GLU 82 Ca 0.11 0.60 -0.13 0.00 -0.41 0.00 0.00 54.97 55.15 2f62 s GLU 82 Cb 0.15 -2.94 0.24 0.00 -1.78 0.00 0.00 34.13 29.80 2f62 s GLU 82 CO 0.52 0.47 1.06 -2.14 -0.49 0.00 0.00 175.26 174.67 2f62 s PRO 83 N -1.90 -0.34 0.16 0.39 0.02 -1.26 -0.85 135.00 131.22 2f62 s PRO 83 Ca 0.38 0.74 -0.31 0.00 0.02 0.00 0.00 61.00 61.84 2f62 s PRO 83 Cb -0.16 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 2f62 s PRO 83 CO 0.20 -3.31 1.38 0.34 -0.33 0.00 0.00 177.00 175.27 2f62 s ASP 84 N -2.89 6.82 0.36 2.53 2.15 -1.26 -4.70 116.67 119.68 2f62 s ASP 84 Ca 0.67 2.40 0.04 0.00 0.43 0.00 0.00 52.55 56.10 2f62 s ASP 84 Cb -0.22 -2.60 0.67 0.00 -0.30 0.00 0.00 42.92 40.47 2f62 s ASP 84 CO 0.62 -0.62 1.95 0.00 -0.17 0.00 0.00 175.17 176.94 2f62 h GLY 86 N 0.76 0.70 1.00 0.00 0.00 -1.99 -0.30 103.07 103.24 2f62 h GLY 86 Ca 0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2f62 h GLY 86 CO -0.01 0.50 0.39 -0.84 0.00 0.00 0.00 176.54 176.58 2f62 h THR 87 N 0.44 1.20 -0.65 4.70 2.02 -1.86 -2.02 112.91 116.75 2f62 h THR 87 Ca 0.09 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2f62 h THR 87 Cb 0.53 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2f62 h THR 87 CO 0.03 0.21 0.40 0.00 0.37 0.00 0.00 175.52 176.53 2f62 h ALA 88 N 1.20 0.83 -0.60 6.16 0.00 -1.01 -0.25 119.26 125.58 2f62 h ALA 88 Ca 0.24 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2f62 h ALA 88 Cb -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2f62 h ALA 88 CO -0.04 0.29 0.26 0.35 0.00 0.00 0.00 179.25 180.11 2f62 h PHE 89 N 0.88 0.46 -0.41 0.00 3.57 -0.78 -0.80 116.94 119.86 2f62 h PHE 89 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2f62 h PHE 89 Cb -0.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2f62 h PHE 89 CO -0.02 0.16 -0.23 0.93 -2.23 0.00 0.00 178.31 176.92 2f62 h GLU 90 N 0.47 0.83 -0.68 1.11 5.08 -0.66 0.17 114.58 120.90 2f62 h GLU 90 Ca 0.29 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2f62 h GLU 90 Cb 0.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2f62 h GLU 90 CO -0.26 0.97 0.43 0.28 -1.00 0.00 0.00 179.01 179.43 2f62 h VAL 91 N 0.72 1.19 -0.37 3.13 2.07 -0.73 -1.00 116.25 121.25 2f62 h VAL 91 Ca 0.10 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2f62 h VAL 91 Cb 0.76 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2f62 h VAL 91 CO 0.06 0.19 0.22 1.23 0.02 0.00 0.00 177.57 179.29 2f62 h GLY 92 N 0.92 0.55 0.40 2.17 0.00 -0.69 -0.52 103.07 105.90 2f62 h GLY 92 Ca 0.25 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2f62 h GLY 92 CO -0.05 0.23 -0.16 0.00 0.00 0.00 0.00 176.54 176.56 2f62 h ALA 94 N 0.91 1.05 -0.26 0.00 0.00 -1.03 -2.21 119.26 117.73 2f62 h ALA 94 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2f62 h ALA 94 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2f62 h ALA 94 CO -0.27 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.62 2f62 h ALA 95 N 1.25 0.30 -0.00 0.00 0.00 -0.81 -0.94 119.26 119.06 2f62 h ALA 95 Ca 0.29 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2f62 h ALA 95 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2f62 h ALA 95 CO -0.05 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.74 2f62 h ALA 96 N 1.15 1.73 -0.22 0.00 0.00 -1.09 -1.68 119.26 119.14 2f62 h ALA 96 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2f62 h ALA 96 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2f62 h ALA 96 CO -0.10 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2f62 n LEU 97 N -4.34 1.61 -3.05 0.00 4.77 -0.85 -4.93 117.00 110.20 2f62 n LEU 97 Ca -0.02 -0.73 -0.22 0.00 -0.03 0.00 0.00 56.01 55.00 2f62 n LEU 97 Cb 0.23 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2f62 n LEU 97 CO 0.36 0.37 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.57 2f62 n ASN 98 N 0.32 -5.71 0.00 -1.43 5.15 -0.63 -5.05 115.26 107.90 2f62 n ASN 98 Ca 0.14 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2f62 n ASN 98 Cb 0.29 -4.63 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 2f62 n ASN 98 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2f62 n LYS 99 N -3.95 0.00 -3.40 1.20 4.76 -0.41 -5.04 118.16 111.33 2f62 n LYS 99 Ca -0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.37 2f62 n LYS 99 Cb 0.61 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.75 2f62 n LYS 99 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f62 s VAL 101 N 0.42 -0.01 -0.10 -0.18 1.01 -1.26 -4.68 120.40 115.60 2f62 s VAL 101 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2f62 s VAL 101 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2f62 s VAL 101 CO 0.00 0.00 -0.22 -0.76 0.00 0.00 0.00 175.10 174.12 2f62 s LEU 102 N 1.54 2.03 0.14 3.92 1.43 0.36 -4.92 118.68 123.19 2f62 s LEU 102 Ca -0.03 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.64 2f62 s LEU 102 Cb -0.01 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2f62 s LEU 102 CO -0.13 0.14 -0.24 0.42 0.23 0.00 0.00 176.35 176.77 2f62 s THR 103 N 0.41 2.10 0.09 5.49 -4.23 -1.26 -0.31 115.64 117.92 2f62 s THR 103 Ca -0.18 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2f62 s THR 103 Cb -0.18 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2f62 s THR 103 CO 0.08 -0.04 0.04 0.72 -0.54 0.00 0.00 174.62 174.87 2f62 s PHE 104 N -1.35 0.64 -0.05 3.99 -0.71 -0.45 -1.26 117.98 118.80 2f62 s PHE 104 Ca 0.14 -1.09 -0.17 0.00 -1.04 0.00 0.00 56.93 54.77 2f62 s PHE 104 Cb -0.09 -0.39 0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2f62 s PHE 104 CO 0.07 -0.47 0.38 -0.08 -1.34 0.00 0.00 175.22 173.77 2f62 s THR 105 N -3.97 0.04 -1.48 -4.49 -1.32 -0.74 -0.35 115.64 103.32 2f62 s THR 105 Ca 0.15 -0.32 0.24 0.00 -1.21 0.00 0.00 61.69 60.55 2f62 s THR 105 Cb 0.07 -0.66 0.44 0.00 -1.51 0.00 0.00 72.50 70.85 2f62 s THR 105 CO -0.04 -0.18 1.80 -1.54 -2.21 0.00 0.00 174.62 172.45 2f62 n SER 106 N 1.53 0.00 -3.51 8.08 3.41 -1.26 -4.47 113.62 117.39 2f62 n SER 106 Ca -0.20 -0.12 -0.26 0.00 -0.26 0.00 0.00 58.87 58.04 2f62 n SER 106 Cb 0.56 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.11 2f62 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f62 s ASP 107 N -2.52 2.97 0.00 4.04 -1.08 -1.26 -5.01 116.67 113.80 2f62 s ASP 107 Ca 0.24 -1.09 0.23 0.00 -0.52 0.00 0.00 52.55 51.41 2f62 s ASP 107 Cb 0.16 -0.12 0.69 0.00 -1.46 0.00 0.00 42.92 42.19 2f62 s ASP 107 CO 0.36 -0.42 1.53 0.54 0.52 0.00 0.00 175.17 177.70 2f62 n ARG 108 N 5.27 1.91 -1.78 4.34 3.00 -1.26 -4.93 116.66 123.21 2f62 n ARG 108 Ca -0.05 -1.36 -0.38 0.00 -0.01 0.00 0.00 57.85 56.05 2f62 n ARG 108 Cb 0.44 -1.43 0.05 0.00 0.00 0.00 0.00 32.46 31.52 2f62 n ARG 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2f62 s ARG 109 N -1.78 2.87 0.00 5.56 0.52 -1.26 -4.55 118.95 120.31 2f62 s ARG 109 Ca 0.34 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 2f62 s ARG 109 Cb 0.19 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2f62 s ARG 109 CO 0.29 -1.37 0.00 0.27 0.02 0.00 0.00 175.30 174.50 2f62 n ASN 110 N -1.45 0.00 0.00 0.23 0.23 -1.26 -4.04 115.26 108.97 2f62 n ASN 110 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2f62 n ASN 110 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2f62 n ASN 110 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2f62 n ARG 112 N 0.00 0.00 -0.15 -3.83 1.74 -1.26 -1.43 116.66 111.72 2f62 n ARG 112 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2f62 n ARG 112 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2f62 n ARG 112 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2f62 h GLU 113 N 0.00 0.94 -0.23 5.56 5.08 -1.91 0.87 114.58 124.89 2f62 h GLU 113 Ca 0.00 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2f62 h GLU 113 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2f62 h GLU 113 CO 0.00 1.07 0.09 0.87 -1.00 0.00 0.00 179.01 180.03 2f62 h LYS 114 N 0.79 0.35 0.00 2.33 1.57 -1.55 -2.95 116.57 117.11 2f62 h LYS 114 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2f62 h LYS 114 Cb 0.77 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2f62 h LYS 114 CO 0.06 0.41 -0.18 0.66 -0.57 0.00 0.00 179.45 179.83 2f62 n TYR 115 N -4.79 0.83 -1.08 -1.35 4.01 -1.23 -4.94 117.16 108.62 2f62 n TYR 115 Ca -0.03 0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 57.92 2f62 n TYR 115 Cb 0.14 -0.86 -0.01 0.00 -0.31 0.00 0.00 39.34 38.29 2f62 n TYR 115 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f62 n GLY 116 N 1.32 0.58 3.67 2.72 0.00 0.23 -4.95 105.19 108.75 2f62 n GLY 116 Ca 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 2f62 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f62 s SER 117 N -2.48 -0.17 0.00 1.61 0.15 -0.77 -4.99 113.70 107.05 2f62 s SER 117 Ca 0.00 -0.23 0.30 0.00 0.70 0.00 0.00 55.95 56.72 2f62 s SER 117 Cb 0.00 0.35 1.57 0.00 -1.71 0.00 0.00 66.02 66.23 2f62 s SER 117 CO 0.00 -0.63 2.06 0.61 1.20 0.00 0.00 173.24 176.48 2f62 n GLY 118 N -0.41 -1.07 3.12 9.45 0.00 -1.26 -4.52 105.19 110.49 2f62 n GLY 118 Ca -0.07 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2f62 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f62 s VAL 119 N -2.34 0.57 0.17 1.61 -7.23 -1.26 -0.60 120.40 111.32 2f62 s VAL 119 Ca 0.35 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2f62 s VAL 119 Cb 0.21 -1.23 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2f62 s VAL 119 CO 0.43 -0.70 0.24 -0.90 -0.31 0.00 0.00 175.10 173.86 2f62 n ASP 120 N 0.56 0.10 0.26 4.85 5.68 0.21 -4.85 116.55 123.37 2f62 n ASP 120 Ca -0.17 -1.14 0.17 0.00 -0.50 0.00 0.00 54.79 53.16 2f62 n ASP 120 Cb 0.58 -0.17 0.85 0.00 -1.14 0.00 0.00 41.12 41.24 2f62 n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f62 h LYS 121 N 0.00 0.00 -0.47 0.11 2.10 -1.94 -1.98 116.57 114.39 2f62 h LYS 121 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2f62 h LYS 121 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2f62 h LYS 121 CO 0.06 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.26 2f62 n ASP 122 N -2.78 3.89 -1.18 7.07 8.00 -1.26 -4.95 116.55 125.34 2f62 n ASP 122 Ca -0.01 -2.39 -0.13 0.00 0.71 0.00 0.00 54.79 52.97 2f62 n ASP 122 Cb 0.14 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 2f62 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f62 n ASN 123 N 0.59 -4.33 -4.77 -2.24 5.15 -0.74 -5.01 115.26 103.91 2f62 n ASN 123 Ca 0.20 0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.97 2f62 n ASN 123 Cb 0.71 -3.19 -0.06 0.00 -0.53 0.00 0.00 39.78 36.72 2f62 n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f62 s LEU 124 N -3.22 4.43 0.27 1.20 1.43 -1.26 -4.79 118.68 116.74 2f62 s LEU 124 Ca 0.00 1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.95 2f62 s LEU 124 Cb 0.00 -2.89 -0.11 0.00 0.03 0.00 0.00 46.19 43.22 2f62 s LEU 124 CO 0.00 0.14 1.59 -0.13 0.23 0.00 0.00 176.35 178.18 2f62 s ARG 125 N -0.36 4.14 -0.23 1.70 0.52 -1.26 -0.62 118.95 122.85 2f62 s ARG 125 Ca 0.30 2.55 -0.09 0.00 -0.52 0.00 0.00 55.73 57.96 2f62 s ARG 125 Cb -0.18 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 2f62 s ARG 125 CO 0.17 -0.62 0.12 0.08 0.02 0.00 0.00 175.30 175.07 2f62 s VAL 126 N 0.17 5.10 0.39 3.52 1.01 0.23 -4.83 120.40 125.99 2f62 s VAL 126 Ca 0.64 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2f62 s VAL 126 Cb -0.47 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 2f62 s VAL 126 CO 0.45 0.38 1.14 -0.62 0.00 0.00 0.00 175.10 176.45 2f62 n GLU 127 N 4.15 1.67 -3.17 2.72 1.02 -1.26 -4.79 120.64 120.99 2f62 n GLU 127 Ca -0.16 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.32 2f62 n GLU 127 Cb 0.52 -2.18 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 2f62 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f62 n GLY 128 N 0.99 5.03 0.03 0.62 0.00 -1.26 -4.19 105.19 106.42 2f62 n GLY 128 Ca 0.08 -2.66 0.04 0.00 0.00 0.00 0.00 46.02 43.48 2f62 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f62 n PHE 129 N 0.33 0.00 -2.54 1.61 3.72 -1.26 -4.99 117.46 114.34 2f62 n PHE 129 Ca 0.30 -0.71 -0.16 0.00 -0.05 0.00 0.00 57.45 56.83 2f62 n PHE 129 Cb 0.42 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 2f62 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f62 n GLY 130 N -0.89 -0.25 3.41 1.37 0.00 -1.26 -5.02 105.19 102.54 2f62 n GLY 130 Ca 0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2f62 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f62 s LEU 131 N -4.78 2.41 0.06 0.99 1.43 -1.26 -4.89 118.68 112.64 2f62 s LEU 131 Ca 0.10 -0.84 0.25 0.00 -1.03 0.00 0.00 54.13 52.61 2f62 s LEU 131 Cb -0.04 -1.15 1.02 0.00 0.03 0.00 0.00 46.19 46.04 2f62 s LEU 131 CO 0.13 0.12 1.79 -0.81 0.23 0.00 0.00 176.35 177.81 2f62 n PRO 132 N 0.40 0.06 -3.84 1.29 -0.04 -1.26 -4.37 135.00 127.24 2f62 n PRO 132 Ca -0.14 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2f62 n PRO 132 Cb 0.55 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2f62 n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f62 s PHE 133 N -3.04 0.14 -0.11 0.54 -0.71 -1.26 -4.87 117.98 108.66 2f62 s PHE 133 Ca 0.11 -0.75 -0.40 0.00 -1.04 0.00 0.00 56.93 54.85 2f62 s PHE 133 Cb 0.15 0.75 -0.18 0.00 -1.21 0.00 0.00 43.02 42.52 2f62 s PHE 133 CO 0.48 -1.48 1.35 -1.71 -1.34 0.00 0.00 175.22 172.51 2f62 n ASN 134 N -1.25 1.03 -2.72 1.98 2.85 -1.26 -4.86 115.26 111.03 2f62 n ASN 134 Ca -0.07 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.54 2f62 n ASN 134 Cb 0.60 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.60 2f62 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f62 n LEU 135 N 2.83 0.00 0.00 1.20 -0.00 -1.26 -4.16 117.00 115.61 2f62 n LEU 135 Ca 0.23 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.65 2f62 n LEU 135 Cb 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 2f62 n LEU 135 CO 0.70 -0.68 0.00 0.18 -0.00 0.00 0.00 177.39 177.59 2f62 n LEU 137 N 3.38 0.00 -4.42 1.47 4.77 -1.26 -4.76 117.00 116.18 2f62 n LEU 137 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2f62 n LEU 137 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2f62 n LEU 137 CO 0.28 0.00 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.51 2f62 s TYR 138 N 0.00 2.99 -0.17 -1.77 5.04 -1.26 -5.00 117.35 117.18 2f62 s TYR 138 Ca 0.00 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.10 2f62 s TYR 138 Cb 0.00 -2.03 0.05 0.00 0.35 0.00 0.00 41.96 40.33 2f62 s TYR 138 CO 0.00 -0.26 1.02 -0.40 -1.34 0.00 0.00 175.55 174.57 2f62 n ASP 139 N 4.13 2.12 0.00 4.32 5.75 -1.26 -4.99 116.55 126.61 2f62 n ASP 139 Ca -0.18 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 2f62 n ASP 139 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2f62 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f62 n GLY 140 N -0.29 2.74 3.76 6.12 0.00 -1.26 -5.07 105.19 111.19 2f62 n GLY 140 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2f62 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f62 s VAL 141 N -2.48 3.51 0.30 1.61 1.01 -1.26 -4.98 120.40 118.11 2f62 s VAL 141 Ca 0.00 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 2f62 s VAL 141 Cb 0.00 -3.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 2f62 s VAL 141 CO 0.00 0.32 1.01 1.21 0.00 0.00 0.00 175.10 177.64 2f62 n GLU 142 N 1.04 1.37 -2.79 2.72 2.13 -1.26 -4.94 120.64 118.90 2f62 n GLU 142 Ca -0.00 0.48 -0.42 0.00 0.66 0.00 0.00 57.16 57.87 2f62 n GLU 142 Cb 0.45 -1.87 -0.04 0.00 0.27 0.00 0.00 31.44 30.26 2f62 n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f62 s VAL 143 N -1.09 4.62 0.68 6.31 1.01 -1.26 -4.60 120.40 126.08 2f62 s VAL 143 Ca 0.59 1.37 -0.10 0.00 0.00 0.00 0.00 61.98 63.84 2f62 s VAL 143 Cb -0.68 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.42 2f62 s VAL 143 CO 0.60 -0.43 1.04 -0.36 0.00 0.00 0.00 175.10 175.95 2f62 s PHE 144 N 3.37 3.23 -2.47 5.22 0.08 -0.38 -4.92 117.98 122.10 2f62 s PHE 144 Ca 0.39 0.85 0.21 0.00 0.12 0.00 0.00 56.93 58.50 2f62 s PHE 144 Cb -0.13 -3.03 0.22 0.00 -0.57 0.00 0.00 43.02 39.51 2f62 s PHE 144 CO 0.16 -1.16 1.20 -0.40 -0.10 0.00 0.00 175.22 174.91 2f62 n ASP 145 N -2.91 2.85 -3.53 1.36 5.68 -1.26 -1.80 116.55 116.94 2f62 n ASP 145 Ca 0.06 -1.88 -0.10 0.00 -0.50 0.00 0.00 54.79 52.38 2f62 n ASP 145 Cb 0.58 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.48 2f62 n ASP 145 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2f62 s SER 146 N -1.63 -0.44 0.18 -1.12 1.04 -1.26 -4.50 113.70 105.96 2f62 s SER 146 Ca 0.27 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 2f62 s SER 146 Cb 0.18 0.56 0.13 0.00 0.10 0.00 0.00 66.02 66.99 2f62 s SER 146 CO 0.26 -0.94 1.77 0.15 0.98 0.00 0.00 173.24 175.46 2f62 h PHE 147 N 2.00 0.39 -0.88 5.02 3.57 -1.96 -2.68 116.94 122.39 2f62 h PHE 147 Ca -0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2f62 h PHE 147 Cb 1.28 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2f62 h PHE 147 CO 0.28 0.17 0.47 1.49 -2.23 0.00 0.00 178.31 178.49 2f62 h GLU 148 N 0.42 1.23 -0.50 1.11 4.81 -1.98 0.14 114.58 119.81 2f62 h GLU 148 Ca 0.22 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 2f62 h GLU 148 Cb 0.16 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2f62 h GLU 148 CO -0.18 0.91 -0.13 0.77 -0.73 0.00 0.00 179.01 179.65 2f62 h SER 149 N 1.23 0.94 -0.70 1.04 0.02 -1.94 -0.64 113.55 113.50 2f62 h SER 149 Ca 0.31 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2f62 h SER 149 Cb 0.04 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2f62 h SER 149 CO -0.05 1.07 0.27 0.00 -1.14 0.00 0.00 176.83 176.98 2f62 h ALA 150 N 1.01 0.91 -0.51 3.77 0.00 -1.11 -2.68 119.26 120.65 2f62 h ALA 150 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2f62 h ALA 150 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2f62 h ALA 150 CO 0.05 0.54 0.08 0.35 0.00 0.00 0.00 179.25 180.27 2f62 h PHE 151 N 1.00 0.83 -0.91 0.00 3.57 -0.53 -1.43 116.94 119.48 2f62 h PHE 151 Ca 0.23 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2f62 h PHE 151 Cb 0.23 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2f62 h PHE 151 CO 0.02 0.73 0.49 0.87 -2.23 0.00 0.00 178.31 178.19 2f62 h LYS 152 N 0.76 1.27 -0.57 1.11 1.57 -0.93 -0.99 116.57 118.78 2f62 h LYS 152 Ca 0.16 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2f62 h LYS 152 Cb 0.35 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2f62 h LYS 152 CO 0.01 0.93 0.25 -0.92 -0.57 0.00 0.00 179.45 179.14 2f62 h TYR 153 N 1.27 0.85 -0.35 -1.35 3.20 -1.07 -2.05 116.97 117.47 2f62 h TYR 153 Ca 0.32 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2f62 h TYR 153 Cb 0.03 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 2f62 h TYR 153 CO 0.01 0.67 0.09 0.35 -1.64 0.00 0.00 178.16 177.64 2f62 h PHE 154 N 0.78 0.16 -0.17 -3.82 3.57 -0.76 -1.13 116.94 115.57 2f62 h PHE 154 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2f62 h PHE 154 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2f62 h PHE 154 CO 0.00 0.05 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.00 2f62 h LEU 155 N 0.22 0.24 -0.05 0.59 3.38 -0.95 0.22 115.31 118.96 2f62 h LEU 155 Ca 0.16 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 2f62 h LEU 155 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2f62 h LEU 155 CO -0.19 0.34 -0.89 0.00 0.09 0.00 0.00 178.44 177.78 2f62 h ALA 156 N 1.70 0.44 -0.00 1.53 0.00 -0.89 -3.38 119.26 118.65 2f62 h ALA 156 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2f62 h ALA 156 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2f62 h ALA 156 CO 0.01 1.12 -0.13 0.09 0.00 0.00 0.00 179.25 180.34 2f62 n ASN 157 N -3.35 0.98 -3.38 0.00 3.02 -0.47 -4.69 115.26 107.37 2f62 n ASN 157 Ca 0.00 -0.99 -0.26 0.00 -0.03 0.00 0.00 54.58 53.30 2f62 n ASN 157 Cb 0.89 0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 40.43 2f62 n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f62 n PHE 158 N -0.32 0.25 -1.72 3.10 7.35 0.74 -5.04 117.46 121.82 2f62 n PHE 158 Ca 0.03 -3.61 -0.30 0.00 -0.76 0.00 0.00 57.45 52.81 2f62 n PHE 158 Cb 0.14 -0.16 0.08 0.00 0.35 0.00 0.00 39.48 39.89 2f62 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f62 s PRO 159 N -0.86 2.26 0.00 -7.13 0.04 -1.26 -4.71 135.00 123.34 2f62 s PRO 159 Ca 0.34 0.46 0.31 0.00 0.04 0.00 0.00 61.00 62.15 2f62 s PRO 159 Cb 0.09 -1.95 1.74 0.00 0.04 0.00 0.00 34.50 34.42 2f62 s PRO 159 CO -0.14 -1.46 2.13 0.43 0.04 0.00 0.00 177.00 178.00