#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtt s LYS 2 N 0.00 2.00 -0.01 2.12 1.02 -1.26 -5.14 119.74 118.48 2dtt s LYS 2 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.24 2dtt s LYS 2 Cb 0.00 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2dtt s LYS 2 CO 0.00 0.44 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.12 2dtt s SER 3 N -0.39 2.51 0.04 2.83 1.04 -1.26 -5.09 113.70 113.39 2dtt s SER 3 Ca 0.05 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 2dtt s SER 3 Cb -0.10 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 2dtt s SER 3 CO 0.00 0.25 0.03 -0.13 0.98 0.00 0.00 173.24 174.37 2dtt s ARG 4 N -0.60 0.51 0.06 4.02 0.52 -1.26 -2.19 118.95 120.01 2dtt s ARG 4 Ca 0.08 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2dtt s ARG 4 Cb -0.08 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 2dtt s ARG 4 CO -0.00 -0.11 -0.02 0.96 0.02 0.00 0.00 175.30 176.14 2dtt s ILE 5 N -2.58 3.91 0.01 1.52 -4.36 -0.44 -4.91 121.20 114.35 2dtt s ILE 5 Ca -0.05 -0.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 2dtt s ILE 5 Cb -0.02 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 2dtt s ILE 5 CO -0.05 0.21 -0.20 -0.63 0.24 0.00 0.00 174.94 174.51 2dtt s ILE 6 N -1.21 1.61 -0.03 8.37 1.01 -1.26 -1.62 121.20 128.08 2dtt s ILE 6 Ca 0.23 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2dtt s ILE 6 Cb -0.11 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2dtt s ILE 6 CO 0.15 0.34 -0.10 0.68 0.00 0.00 0.00 174.94 176.00 2dtt s VAL 7 N -0.61 0.89 -0.07 2.92 -7.23 -0.75 -4.99 120.40 110.56 2dtt s VAL 7 Ca 0.08 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2dtt s VAL 7 Cb -0.08 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 2dtt s VAL 7 CO 0.00 0.27 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.79 2dtt s ARG 8 N 0.22 2.72 0.20 4.82 0.52 -1.26 -1.61 118.95 124.56 2dtt s ARG 8 Ca -0.04 -0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 54.37 2dtt s ARG 8 Cb -0.10 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 2dtt s ARG 8 CO 0.01 0.50 0.32 -0.08 0.02 0.00 0.00 175.30 176.07 2dtt s THR 9 N -0.42 0.03 0.03 0.02 -1.32 -0.14 -5.01 115.64 108.83 2dtt s THR 9 Ca 0.05 -1.51 -0.03 0.00 -1.21 0.00 0.00 61.69 58.99 2dtt s THR 9 Cb -0.12 -2.09 -0.02 0.00 -1.51 0.00 0.00 72.50 68.77 2dtt s THR 9 CO 0.02 -0.14 0.05 -0.55 -2.21 0.00 0.00 174.62 171.79 2dtt s SER 10 N -3.02 0.22 0.02 8.08 0.15 -1.26 -0.12 113.70 117.76 2dtt s SER 10 Ca 0.23 -0.54 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 2dtt s SER 10 Cb 0.03 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2dtt s SER 10 CO 0.05 -0.44 0.54 0.72 1.20 0.00 0.00 173.24 175.31 2dtt s PHE 11 N -2.26 -0.46 0.02 3.44 -0.12 -0.66 -5.01 117.98 112.94 2dtt s PHE 11 Ca -0.08 0.62 0.02 0.00 -0.05 0.00 0.00 56.93 57.44 2dtt s PHE 11 Cb -0.04 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2dtt s PHE 11 CO -0.03 -0.61 0.02 -0.51 -0.05 0.00 0.00 175.22 174.04 2dtt s ASP 12 N -1.70 5.22 0.07 1.98 1.11 -1.26 -0.69 116.67 121.40 2dtt s ASP 12 Ca -0.08 -0.01 -0.26 0.00 0.18 0.00 0.00 52.55 52.38 2dtt s ASP 12 Cb -0.01 -1.37 0.09 0.00 1.07 0.00 0.00 42.92 42.70 2dtt s ASP 12 CO 0.02 0.25 0.75 0.00 1.18 0.00 0.00 175.17 177.37 2dtt s ALA 13 N -1.16 -1.72 0.16 5.23 0.00 -0.74 0.12 121.76 123.65 2dtt s ALA 13 Ca 0.22 0.77 0.11 0.00 0.00 0.00 0.00 51.96 53.06 2dtt s ALA 13 Cb -0.12 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2dtt s ALA 13 CO 0.13 -0.72 -0.24 0.00 0.00 0.00 0.00 175.76 174.93 2dtt s ALA 14 N -3.39 2.51 -0.47 0.00 0.00 -0.80 -0.99 121.76 118.62 2dtt s ALA 14 Ca 0.03 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.49 2dtt s ALA 14 Cb -0.01 -0.39 0.22 0.00 0.00 0.00 0.00 23.12 22.94 2dtt s ALA 14 CO -0.11 0.49 0.88 -2.39 0.00 0.00 0.00 175.76 174.63 2dtt n HIS 15 N 0.54 -3.03 -4.40 0.00 1.44 -1.26 0.07 115.22 108.57 2dtt n HIS 15 Ca -0.15 -1.39 -0.35 0.00 -2.01 0.00 0.00 57.72 53.82 2dtt n HIS 15 Cb 0.55 1.45 -0.10 0.00 0.12 0.00 0.00 29.99 32.00 2dtt n HIS 15 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2dtt s VAL 26 N 0.74 4.22 -0.21 0.61 -7.23 -1.26 -4.84 120.40 112.43 2dtt s VAL 26 Ca 0.30 -0.28 -0.27 0.00 -1.81 0.00 0.00 61.98 59.92 2dtt s VAL 26 Cb 0.13 -2.77 0.09 0.00 0.56 0.00 0.00 36.38 34.38 2dtt s VAL 26 CO -0.14 0.60 0.82 -2.28 -0.31 0.00 0.00 175.10 173.78 2dtt s HIS 27 N -0.80 -0.64 0.53 2.82 5.65 -1.26 -5.16 115.29 116.43 2dtt s HIS 27 Ca 0.12 1.42 -0.22 0.00 0.25 0.00 0.00 55.06 56.63 2dtt s HIS 27 Cb -0.11 0.34 -0.05 0.00 -1.18 0.00 0.00 32.58 31.58 2dtt s HIS 27 CO 0.02 -0.39 1.31 0.20 -0.65 0.00 0.00 174.74 175.23 2dtt s GLY 28 N -0.18 2.86 -0.24 1.59 0.00 -1.26 -4.10 107.32 105.99 2dtt s GLY 28 Ca -0.02 1.24 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 2dtt s GLY 28 CO 0.01 1.74 0.62 0.30 0.00 0.00 0.00 173.10 175.77 2dtt s HIS 29 N -1.36 -0.83 -0.25 1.90 0.09 -0.16 -4.94 115.29 109.75 2dtt s HIS 29 Ca 0.70 1.80 -0.12 0.00 -0.00 0.00 0.00 55.06 57.44 2dtt s HIS 29 Cb -0.38 0.40 -0.05 0.00 -0.00 0.00 0.00 32.58 32.56 2dtt s HIS 29 CO 0.44 -0.41 0.24 0.99 -0.00 0.00 0.00 174.74 176.00 2dtt s THR 30 N 1.04 5.30 -0.15 1.30 2.01 -1.26 -1.79 115.64 122.08 2dtt s THR 30 Ca -0.06 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 2dtt s THR 30 Cb -0.05 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2dtt s THR 30 CO -0.10 0.28 0.09 -0.36 -0.69 0.00 0.00 174.62 173.85 2dtt s PHE 31 N 1.40 3.40 -0.20 4.92 0.40 0.13 -1.15 117.98 126.89 2dtt s PHE 31 Ca 0.10 0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.73 2dtt s PHE 31 Cb -0.15 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2dtt s PHE 31 CO 0.07 0.45 -0.10 -0.06 0.70 0.00 0.00 175.22 176.28 2dtt s PHE 32 N -0.37 2.89 -0.10 0.36 0.40 -0.48 -1.65 117.98 119.04 2dtt s PHE 32 Ca 0.10 -1.20 -0.01 0.00 -0.60 0.00 0.00 56.93 55.23 2dtt s PHE 32 Cb -0.12 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2dtt s PHE 32 CO 0.01 -0.64 -0.05 -1.17 0.70 0.00 0.00 175.22 174.08 2dtt s LEU 33 N 1.38 3.26 -0.07 -0.37 2.96 0.83 -0.52 118.68 126.15 2dtt s LEU 33 Ca 0.05 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2dtt s LEU 33 Cb -0.14 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.82 2dtt s LEU 33 CO -0.07 0.31 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.43 2dtt s GLU 34 N -0.48 1.92 -0.07 1.98 2.12 -0.47 -0.96 118.70 122.74 2dtt s GLU 34 Ca 0.07 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.94 2dtt s GLU 34 Cb -0.12 -1.56 0.01 0.00 0.26 0.00 0.00 34.13 32.72 2dtt s GLU 34 CO 0.02 0.04 -0.15 0.08 -0.54 0.00 0.00 175.26 174.71 2dtt s VAL 35 N 0.64 1.37 -0.18 3.70 1.01 -0.63 -1.33 120.40 124.98 2dtt s VAL 35 Ca -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2dtt s VAL 35 Cb -0.16 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2dtt s VAL 35 CO 0.04 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 2dtt s ALA 36 N 0.54 2.43 -0.17 5.51 0.00 -0.34 -1.81 121.76 127.92 2dtt s ALA 36 Ca -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 2dtt s ALA 36 Cb -0.16 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2dtt s ALA 36 CO 0.05 -0.25 -0.07 0.42 0.00 0.00 0.00 175.76 175.90 2dtt s ILE 37 N 1.16 3.41 0.04 0.00 -1.09 -0.64 -0.35 121.20 123.73 2dtt s ILE 37 Ca 0.01 -0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2dtt s ILE 37 Cb -0.14 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 2dtt s ILE 37 CO -0.07 0.48 0.16 -0.70 -1.23 0.00 0.00 174.94 173.58 2dtt s GLU 38 N 0.74 3.29 0.00 2.79 2.12 -0.04 -1.33 118.70 126.27 2dtt s GLU 38 Ca -0.03 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2dtt s GLU 38 Cb -0.15 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.27 2dtt s GLU 38 CO 0.02 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.77 2dtt n GLY 39 N 0.56 -0.52 3.76 -1.50 0.00 -0.93 -1.19 105.19 105.37 2dtt n GLY 39 Ca -0.08 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 2dtt n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dtt s GLU 40 N -2.00 4.63 -0.55 1.61 2.56 -1.26 -4.25 118.70 119.43 2dtt s GLU 40 Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 54.97 55.93 2dtt s GLU 40 Cb 0.00 -3.30 0.02 0.00 2.00 0.00 0.00 34.13 32.85 2dtt s GLU 40 CO 0.00 0.46 1.35 0.42 -0.56 0.00 0.00 175.26 176.93 2dtt s ILE 41 N -0.80 3.86 -0.14 -3.70 1.01 -1.26 -4.43 121.20 115.75 2dtt s ILE 41 Ca 0.39 0.76 0.02 0.00 0.00 0.00 0.00 60.65 61.82 2dtt s ILE 41 Cb -0.23 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2dtt s ILE 41 CO 0.27 -1.18 -0.20 -0.54 0.00 0.00 0.00 174.94 173.29 2dtt s LYS 42 N 5.30 3.09 -1.32 2.79 1.02 0.28 -4.56 119.74 126.34 2dtt s LYS 42 Ca 0.51 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2dtt s LYS 42 Cb -0.10 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2dtt s LYS 42 CO 0.26 0.03 0.00 -1.71 -0.92 0.00 0.00 175.35 173.00 2dtt n ASN 43 N 3.98 -4.49 0.00 2.83 5.15 -1.26 -2.14 115.26 119.33 2dtt n ASN 43 Ca -0.20 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2dtt n ASN 43 Cb 0.52 -3.11 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 2dtt n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dtt n GLY 44 N -1.43 0.75 3.15 8.20 0.00 -1.26 -5.05 105.19 109.55 2dtt n GLY 44 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2dtt n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dtt s TYR 45 N -2.98 1.08 -0.22 1.61 1.51 -0.91 -5.01 117.35 112.44 2dtt s TYR 45 Ca 0.00 -0.48 0.09 0.00 -1.01 0.00 0.00 57.07 55.67 2dtt s TYR 45 Cb 0.00 -0.61 -0.21 0.00 -0.11 0.00 0.00 41.96 41.03 2dtt s TYR 45 CO 0.00 0.02 -0.03 0.28 -1.11 0.00 0.00 175.55 174.71 2dtt n VAL 46 N 1.29 1.46 0.00 0.71 0.31 -1.26 -0.56 118.33 120.29 2dtt n VAL 46 Ca -0.21 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 2dtt n VAL 46 Cb 0.54 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2dtt n VAL 46 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2dtt n MET 47 N -3.03 0.00 -2.24 5.55 1.56 -1.26 -4.83 117.12 112.87 2dtt n MET 47 Ca -0.38 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.63 2dtt n MET 47 Cb 1.07 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 36.41 2dtt n MET 47 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2dtt s ASP 48 N 0.00 6.92 0.14 6.12 2.15 -1.26 -4.94 116.67 125.80 2dtt s ASP 48 Ca 0.00 2.37 -0.29 0.00 0.43 0.00 0.00 52.55 55.05 2dtt s ASP 48 Cb 0.00 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 2dtt s ASP 48 CO 0.00 -0.52 1.57 -0.26 -0.17 0.00 0.00 175.17 175.79 2dtt h PHE 49 N 5.48 -1.36 0.00 -5.34 0.04 -2.00 -1.65 116.94 112.11 2dtt h PHE 49 Ca -0.44 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 2dtt h PHE 49 Cb 1.21 0.63 -0.00 0.00 2.20 0.00 0.00 35.95 40.00 2dtt h PHE 49 CO 0.62 -0.48 -0.04 1.25 -0.60 0.00 0.00 178.31 179.07 2dtt h LEU 50 N -0.43 0.00 -0.15 1.54 5.85 -1.97 0.27 115.31 120.42 2dtt h LEU 50 Ca 0.09 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2dtt h LEU 50 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2dtt h LEU 50 CO -0.51 0.04 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.45 2dtt h GLU 51 N 0.00 0.33 -0.38 1.25 4.81 -1.70 0.17 114.58 119.05 2dtt h GLU 51 Ca -0.00 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 2dtt h GLU 51 Cb 0.10 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2dtt h GLU 51 CO 0.01 0.68 0.04 1.25 -0.73 0.00 0.00 179.01 180.25 2dtt h LEU 52 N -0.01 0.63 -1.25 1.64 5.85 -0.88 -2.37 115.31 118.92 2dtt h LEU 52 Ca 0.03 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2dtt h LEU 52 Cb 0.60 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2dtt h LEU 52 CO 0.03 0.76 0.51 -0.09 -0.34 0.00 0.00 178.44 179.31 2dtt h ARG 53 N 0.49 1.00 -0.35 1.25 2.43 -0.40 -0.24 114.38 118.56 2dtt h ARG 53 Ca 0.11 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2dtt h ARG 53 Cb 0.41 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2dtt h ARG 53 CO 0.01 0.66 0.15 0.87 -1.51 0.00 0.00 179.97 180.15 2dtt h LYS 54 N 1.03 0.52 -0.40 0.20 1.57 -0.42 -0.52 116.57 118.55 2dtt h LYS 54 Ca 0.29 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2dtt h LYS 54 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2dtt h LYS 54 CO -0.07 0.50 0.22 0.82 -0.57 0.00 0.00 179.45 180.35 2dtt h ILE 55 N 0.43 1.15 -0.27 1.86 2.04 -0.84 -1.80 117.51 120.07 2dtt h ILE 55 Ca 0.12 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2dtt h ILE 55 Cb 0.17 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2dtt h ILE 55 CO -0.01 0.16 0.03 0.58 0.00 0.00 0.00 178.15 178.90 2dtt h VAL 56 N 0.52 1.24 0.00 1.67 2.07 -0.90 -3.17 116.25 117.68 2dtt h VAL 56 Ca 0.14 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 2dtt h VAL 56 Cb 0.05 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2dtt h VAL 56 CO -0.02 0.27 -0.45 -0.33 0.02 0.00 0.00 177.57 177.06 2dtt h GLU 57 N 0.26 0.00 0.00 1.57 5.08 -1.04 -0.54 114.58 119.91 2dtt h GLU 57 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2dtt h GLU 57 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dtt h GLU 57 CO 0.01 0.45 0.00 0.93 -1.00 0.00 0.00 179.01 179.40 2dtt h GLU 58 N 0.00 0.00 0.06 2.33 5.08 -1.33 -0.45 114.58 120.27 2dtt h GLU 58 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2dtt h GLU 58 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2dtt h GLU 58 CO 0.06 0.00 -1.40 0.82 -1.00 0.00 0.00 179.01 177.49 2dtt h ILE 59 N 0.00 0.92 0.00 3.13 2.04 -1.39 -3.38 117.51 118.83 2dtt h ILE 59 Ca 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 63.53 2dtt h ILE 59 Cb 0.50 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2dtt h ILE 59 CO 0.00 0.55 -0.25 0.71 0.00 0.00 0.00 178.15 179.16 2dtt h THR 60 N -0.60 1.01 0.00 -0.27 1.35 -0.94 -2.54 112.91 110.92 2dtt h THR 60 Ca -0.34 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2dtt h THR 60 Cb 1.56 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2dtt h THR 60 CO -0.07 0.25 0.00 0.07 -0.25 0.00 0.00 175.52 175.52 2dtt h LYS 61 N 0.00 0.00 0.00 4.72 2.10 -1.25 -1.35 116.57 120.79 2dtt h LYS 61 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2dtt h LYS 61 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2dtt h LYS 61 CO 0.03 0.00 -0.18 0.93 -2.00 0.00 0.00 179.45 178.23 2dtt h GLU 62 N 0.00 0.00 0.00 0.07 5.08 -1.64 -3.25 114.58 114.84 2dtt h GLU 62 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2dtt h GLU 62 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2dtt h GLU 62 CO 0.00 0.18 -1.88 1.28 -1.00 0.00 0.00 179.01 177.59 2dtt n LEU 63 N -3.29 0.00 -4.67 1.33 4.77 -0.68 -4.86 117.00 109.59 2dtt n LEU 63 Ca 0.01 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.54 2dtt n LEU 63 Cb 0.44 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2dtt n LEU 63 CO 0.33 0.16 1.52 -0.67 -1.33 0.00 0.00 177.39 177.40 2dtt n ASP 64 N -2.28 3.79 -0.12 -1.43 2.03 -0.60 -1.39 116.55 116.56 2dtt n ASP 64 Ca -0.12 0.95 -0.02 0.00 0.52 0.00 0.00 54.79 56.12 2dtt n ASP 64 Cb 0.67 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.61 2dtt n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2dtt n HIS 65 N 6.75 0.00 -3.96 -0.67 8.25 0.32 -4.96 115.22 120.95 2dtt n HIS 65 Ca 0.21 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.45 2dtt n HIS 65 Cb 0.35 -0.66 -0.05 0.00 1.12 0.00 0.00 29.99 30.75 2dtt n HIS 65 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dtt s ARG 66 N -1.11 2.60 -0.48 -0.41 1.81 -0.48 -4.95 118.95 115.93 2dtt s ARG 66 Ca 0.00 -1.37 -0.19 0.00 -1.72 0.00 0.00 55.73 52.45 2dtt s ARG 66 Cb 0.00 -2.37 0.05 0.00 -0.45 0.00 0.00 34.95 32.18 2dtt s ARG 66 CO 0.00 0.14 0.60 1.21 -0.68 0.00 0.00 175.30 176.57 2dtt s ASN 67 N -3.92 6.24 0.62 0.23 3.84 -1.26 -1.90 114.94 118.79 2dtt s ASN 67 Ca 0.39 -0.76 0.32 0.00 0.21 0.00 0.00 52.86 53.02 2dtt s ASN 67 Cb -0.05 -2.29 1.82 0.00 -0.55 0.00 0.00 41.25 40.19 2dtt s ASN 67 CO 0.25 -0.82 2.14 -0.07 -2.79 0.00 0.00 177.10 175.81 2dtt h LEU 68 N 9.61 0.00 0.00 3.21 3.38 -0.72 -1.42 115.31 129.37 2dtt h LEU 68 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dtt h LEU 68 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2dtt h LEU 68 CO 0.92 0.00 0.00 0.59 0.09 0.00 0.00 178.44 180.04 2dtt n ASN 69 N -3.53 0.00 0.00 -0.43 3.02 -1.26 -0.65 115.26 112.41 2dtt n ASN 69 Ca -0.00 0.26 0.11 0.00 -0.03 0.00 0.00 54.58 54.92 2dtt n ASN 69 Cb 0.26 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 2dtt n ASN 69 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dtt n ASN 70 N -1.39 0.58 -0.10 6.41 3.02 -0.53 -4.45 115.26 118.80 2dtt n ASN 70 Ca 0.07 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.00 2dtt n ASN 70 Cb 0.18 1.27 -0.09 0.00 -0.61 0.00 0.00 39.78 40.53 2dtt n ASN 70 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2dtt n ILE 71 N -1.86 1.11 -4.44 2.41 5.41 -0.89 -5.01 119.36 116.10 2dtt n ILE 71 Ca 0.01 -0.44 -0.32 0.00 1.00 0.00 0.00 62.75 63.00 2dtt n ILE 71 Cb 0.43 -1.16 -0.10 0.00 -0.71 0.00 0.00 39.64 38.10 2dtt n ILE 71 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dtt s PHE 72 N -2.39 2.92 0.24 1.39 0.08 0.17 -5.00 117.98 115.39 2dtt s PHE 72 Ca -0.25 -0.02 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 2dtt s PHE 72 Cb 0.07 -1.62 0.28 0.00 -0.57 0.00 0.00 43.02 41.17 2dtt s PHE 72 CO 0.46 0.38 1.64 1.49 -0.10 0.00 0.00 175.22 179.10 2dtt h GLU 73 N 4.55 0.55 -1.96 0.44 4.57 -1.87 -3.39 114.58 117.47 2dtt h GLU 73 Ca -0.49 -0.25 -0.36 0.00 -1.18 0.00 0.00 59.36 57.08 2dtt h GLU 73 Cb 1.17 -0.01 -0.31 0.00 -0.16 0.00 0.00 28.75 29.44 2dtt h GLU 73 CO 0.54 0.81 -0.68 1.21 -1.18 0.00 0.00 179.01 179.71 2dtt s ASN 74 N -6.83 1.19 -0.01 1.04 2.47 -1.26 -5.06 114.94 106.48 2dtt s ASN 74 Ca -0.07 -1.53 -0.02 0.00 0.42 0.00 0.00 52.86 51.66 2dtt s ASN 74 Cb 0.13 0.56 -0.10 0.00 -1.45 0.00 0.00 41.25 40.40 2dtt s ASN 74 CO 0.81 -0.27 1.62 -0.81 -3.72 0.00 0.00 177.10 174.74 2dtt n PRO 75 N 4.31 0.72 -1.64 0.43 -0.04 -1.26 -4.73 135.00 132.80 2dtt n PRO 75 Ca 0.10 -0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 62.88 2dtt n PRO 75 Cb 0.45 -1.69 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2dtt n PRO 75 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dtt s THR 76 N 2.31 3.89 0.34 0.52 -4.23 -1.26 -4.84 115.64 112.36 2dtt s THR 76 Ca 0.24 0.67 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2dtt s THR 76 Cb 0.11 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.87 2dtt s THR 76 CO -0.00 -0.74 1.99 0.74 -0.54 0.00 0.00 174.62 176.07 2dtt h THR 77 N -0.51 1.17 -0.18 3.99 2.02 -1.97 -1.30 112.91 116.13 2dtt h THR 77 Ca -0.44 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2dtt h THR 77 Cb 1.22 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2dtt h THR 77 CO 0.56 0.17 0.11 -0.33 0.37 0.00 0.00 175.52 176.40 2dtt h GLU 78 N 0.87 0.25 -0.51 6.66 3.07 -1.95 0.10 114.58 123.07 2dtt h GLU 78 Ca 0.23 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.00 2dtt h GLU 78 Cb -0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 2dtt h GLU 78 CO -0.05 0.21 0.04 -0.91 -1.40 0.00 0.00 179.01 176.90 2dtt h ASN 79 N 0.21 0.84 -0.67 1.42 2.35 -1.72 0.02 115.58 118.02 2dtt h ASN 79 Ca 0.06 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2dtt h ASN 79 Cb 0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2dtt h ASN 79 CO -0.01 0.92 0.37 0.40 -1.65 0.00 0.00 177.43 177.46 2dtt h ILE 80 N 0.74 1.21 0.10 2.81 2.04 -1.12 -0.16 117.51 123.13 2dtt h ILE 80 Ca 0.15 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2dtt h ILE 80 Cb 0.46 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2dtt h ILE 80 CO 0.02 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.31 2dtt h ALA 81 N 1.18 -0.18 -0.18 1.87 0.00 -0.47 -0.74 119.26 120.74 2dtt h ALA 81 Ca 0.24 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2dtt h ALA 81 Cb 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2dtt h ALA 81 CO -0.04 -0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 178.41 2dtt h LEU 82 N -0.20 -0.38 0.00 0.00 3.38 -0.62 0.21 115.31 117.70 2dtt h LEU 82 Ca 0.00 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2dtt h LEU 82 Cb 0.19 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2dtt h LEU 82 CO -0.02 -0.15 -0.25 -0.25 0.09 0.00 0.00 178.44 177.86 2dtt h TRP 83 N -0.12 -0.67 -0.79 1.13 7.01 -0.83 -0.61 115.95 121.07 2dtt h TRP 83 Ca 0.11 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.23 2dtt h TRP 83 Cb 0.27 0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 27.55 2dtt h TRP 83 CO -0.26 -0.34 0.42 0.82 -2.79 0.00 0.00 178.44 176.29 2dtt h ILE 84 N -0.39 0.84 -0.99 2.65 2.04 -0.78 -0.80 117.51 120.08 2dtt h ILE 84 Ca 0.06 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2dtt h ILE 84 Cb 0.47 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2dtt h ILE 84 CO -0.22 0.13 0.65 1.23 0.00 0.00 0.00 178.15 179.94 2dtt h GLY 85 N 0.69 1.40 1.12 5.37 0.00 0.00 -1.60 103.07 110.04 2dtt h GLY 85 Ca 0.40 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 2dtt h GLY 85 CO -0.28 0.49 -0.57 0.83 0.00 0.00 0.00 176.54 177.01 2dtt h GLU 86 N 1.32 0.82 -0.87 4.80 4.39 -0.03 -2.01 114.58 123.00 2dtt h GLU 86 Ca 0.37 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2dtt h GLU 86 Cb -0.13 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2dtt h GLU 86 CO -0.09 1.18 0.56 0.00 -1.16 0.00 0.00 179.01 179.51 2dtt h ARG 87 N 0.58 1.16 -0.12 2.33 2.47 -0.93 -2.20 114.38 117.68 2dtt h ARG 87 Ca -0.00 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 2dtt h ARG 87 Cb 1.19 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2dtt h ARG 87 CO 0.13 0.79 -0.00 0.82 0.56 0.00 0.00 179.97 182.26 2dtt h ILE 88 N 1.19 1.25 -0.98 2.04 2.04 -1.26 -3.00 117.51 118.79 2dtt h ILE 88 Ca 0.32 -0.82 0.18 0.00 1.00 0.00 0.00 64.86 65.54 2dtt h ILE 88 Cb -0.10 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 2dtt h ILE 88 CO -0.07 0.24 0.61 0.03 0.00 0.00 0.00 178.15 178.96 2dtt h ARG 89 N -0.05 0.70 0.00 2.37 3.08 -1.10 -0.62 114.38 118.75 2dtt h ARG 89 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2dtt h ARG 89 Cb 0.36 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2dtt h ARG 89 CO 0.01 0.46 0.00 0.22 -1.07 0.00 0.00 179.97 179.59 2dtt h ASP 90 N 0.72 0.00 -0.02 7.04 3.58 -1.26 -3.23 116.42 123.25 2dtt h ASP 90 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2dtt h ASP 90 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2dtt h ASP 90 CO -0.31 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.34 2dtt n LYS 91 N -2.36 0.26 -2.59 0.28 4.76 -0.29 -5.05 118.16 113.17 2dtt n LYS 91 Ca 0.02 -0.90 -0.36 0.00 -2.87 0.00 0.00 58.31 54.20 2dtt n LYS 91 Cb 0.26 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.35 2dtt n LYS 91 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dtt s LEU 92 N -0.41 4.13 0.90 -0.35 1.43 -0.92 -5.02 118.68 118.44 2dtt s LEU 92 Ca 0.04 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 2dtt s LEU 92 Cb 0.02 -4.21 0.10 0.00 0.03 0.00 0.00 46.19 42.13 2dtt s LEU 92 CO 0.03 -0.46 0.91 -2.65 0.23 0.00 0.00 176.35 174.42 2dtt n PRO 93 N -0.09 -0.29 -0.35 1.29 -0.02 -1.26 -4.92 135.00 129.36 2dtt n PRO 93 Ca 0.05 -0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 2dtt n PRO 93 Cb 0.50 -2.21 0.30 0.00 -0.02 0.00 0.00 33.50 32.07 2dtt n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2dtt h PRO 94 N -1.60 0.82 -0.94 0.52 0.11 -2.00 -3.16 132.00 125.76 2dtt h PRO 94 Ca -0.44 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.04 2dtt h PRO 94 Cb 1.28 -0.19 -0.29 0.00 0.11 0.00 0.00 31.00 31.91 2dtt h PRO 94 CO 0.40 0.54 0.63 0.66 -0.21 0.00 0.00 178.00 180.02 2dtt n TYR 95 N -4.70 3.00 -4.16 0.65 4.02 -1.26 -4.95 117.16 109.76 2dtt n TYR 95 Ca 0.21 -2.46 -0.12 0.00 -0.01 0.00 0.00 57.90 55.53 2dtt n TYR 95 Cb 0.49 -1.14 -0.09 0.00 -0.02 0.00 0.00 39.34 38.58 2dtt n TYR 95 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2dtt s VAL 96 N -4.16 0.00 -0.00 -0.72 -7.23 -1.19 -4.46 120.40 102.63 2dtt s VAL 96 Ca 0.60 -1.89 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 2dtt s VAL 96 Cb 0.49 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 35.00 2dtt s VAL 96 CO 0.04 0.00 0.31 -1.59 -0.31 0.00 0.00 175.10 173.54 2dtt s LYS 97 N -4.11 0.70 -0.22 4.82 -2.85 -0.33 -4.86 119.74 112.88 2dtt s LYS 97 Ca 0.36 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.78 2dtt s LYS 97 Cb 0.05 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 2dtt s LYS 97 CO 0.12 -0.20 1.43 -1.17 0.10 0.00 0.00 175.35 175.62 2dtt s LEU 98 N -1.47 3.99 -0.22 2.77 2.96 -1.26 -0.86 118.68 124.58 2dtt s LEU 98 Ca -0.12 1.53 -0.06 0.00 -0.22 0.00 0.00 54.13 55.27 2dtt s LEU 98 Cb -0.04 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.93 2dtt s LEU 98 CO 0.03 -1.06 -0.06 1.17 -1.32 0.00 0.00 176.35 175.11 2dtt n LYS 99 N 7.26 0.66 -3.72 1.98 3.00 0.52 -4.57 118.16 123.28 2dtt n LYS 99 Ca 0.16 0.24 -0.14 0.00 -0.00 0.00 0.00 58.31 58.58 2dtt n LYS 99 Cb 0.45 -1.58 -0.08 0.00 0.00 0.00 0.00 35.03 33.82 2dtt n LYS 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dtt s ARG 100 N -2.51 0.75 -0.03 1.64 3.52 -0.90 -0.96 118.95 120.45 2dtt s ARG 100 Ca -0.32 -0.19 -0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2dtt s ARG 100 Cb 0.09 0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.85 2dtt s ARG 100 CO 0.62 -0.22 0.03 0.08 -0.81 0.00 0.00 175.30 175.00 2dtt s VAL 101 N -1.55 0.04 -0.21 7.11 1.01 -0.17 -1.20 120.40 125.43 2dtt s VAL 101 Ca -0.12 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 2dtt s VAL 101 Cb -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 36.38 36.21 2dtt s VAL 101 CO 0.04 0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.56 2dtt s VAL 102 N 1.40 1.18 -0.29 2.92 1.01 -0.44 -0.27 120.40 125.92 2dtt s VAL 102 Ca -0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2dtt s VAL 102 Cb -0.13 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2dtt s VAL 102 CO -0.03 -0.10 0.08 -0.22 0.00 0.00 0.00 175.10 174.83 2dtt s LEU 103 N 1.56 3.84 -0.20 3.92 2.96 -0.08 -1.37 118.68 129.30 2dtt s LEU 103 Ca -0.04 -0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 53.08 2dtt s LEU 103 Cb -0.18 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2dtt s LEU 103 CO -0.07 -0.18 0.23 0.26 -1.32 0.00 0.00 176.35 175.27 2dtt s TRP 104 N 1.51 3.39 -1.03 5.38 0.52 0.32 -0.64 118.94 128.40 2dtt s TRP 104 Ca 0.03 0.42 -0.13 0.00 0.02 0.00 0.00 56.10 56.43 2dtt s TRP 104 Cb -0.17 -2.31 0.21 0.00 -1.15 0.00 0.00 33.47 30.06 2dtt s TRP 104 CO 0.03 0.15 1.10 -2.00 0.02 0.00 0.00 176.95 176.25 2dtt s GLU 105 N 0.77 3.92 0.05 4.98 2.12 0.14 -1.38 118.70 129.30 2dtt s GLU 105 Ca 0.12 -2.63 0.00 0.00 0.36 0.00 0.00 54.97 52.82 2dtt s GLU 105 Cb -0.13 -4.70 0.00 0.00 0.26 0.00 0.00 34.13 29.56 2dtt s GLU 105 CO 0.03 -1.47 0.00 0.41 -0.54 0.00 0.00 175.26 173.70 2dtt n GLY 106 N 3.83 -3.39 0.00 -1.50 0.00 -0.30 -4.11 105.19 99.72 2dtt n GLY 106 Ca 0.24 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.50 2dtt n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dtt n LYS 107 N -0.33 0.01 0.00 1.61 5.02 -1.26 -4.30 118.16 118.91 2dtt n LYS 107 Ca 0.00 -0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2dtt n LYS 107 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 2dtt n LYS 107 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dtt n ASP 108 N -1.49 0.64 -3.96 4.39 8.00 -1.26 -4.98 116.55 117.88 2dtt n ASP 108 Ca 0.06 -0.82 -0.20 0.00 0.71 0.00 0.00 54.79 54.54 2dtt n ASP 108 Cb 0.34 0.90 -0.16 0.00 -0.02 0.00 0.00 41.12 42.18 2dtt n ASP 108 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2dtt s ASN 109 N -1.88 1.10 0.22 -2.24 0.01 -1.26 -5.07 114.94 105.83 2dtt s ASN 109 Ca 0.05 -0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 51.86 2dtt s ASN 109 Cb 0.08 -0.39 0.02 0.00 0.41 0.00 0.00 41.25 41.37 2dtt s ASN 109 CO 0.40 0.02 0.54 -0.83 -1.51 0.00 0.00 177.10 175.72 2dtt s GLY 110 N 0.45 0.08 -0.07 0.66 0.00 -1.26 0.26 107.32 107.45 2dtt s GLY 110 Ca -0.07 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.27 2dtt s GLY 110 CO 0.01 -0.34 -0.20 0.14 0.00 0.00 0.00 173.10 172.71 2dtt s VAL 111 N -3.92 2.52 -0.17 1.40 1.01 0.19 -4.96 120.40 116.48 2dtt s VAL 111 Ca 0.13 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2dtt s VAL 111 Cb -0.02 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2dtt s VAL 111 CO 0.02 0.57 -0.18 -0.70 0.00 0.00 0.00 175.10 174.81 2dtt s GLU 112 N -0.23 3.09 -0.15 2.72 2.12 -1.26 -0.91 118.70 124.08 2dtt s GLU 112 Ca -0.01 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2dtt s GLU 112 Cb -0.13 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 2dtt s GLU 112 CO 0.03 -0.10 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.00 2dtt s LEU 113 N 1.06 2.54 -0.07 2.70 1.43 0.63 -4.99 118.68 121.98 2dtt s LEU 113 Ca -0.01 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2dtt s LEU 113 Cb -0.14 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2dtt s LEU 113 CO -0.06 0.09 -0.15 -0.70 0.23 0.00 0.00 176.35 175.76 2dtt s GLU 114 N 0.76 2.01 0.00 1.70 2.12 -1.26 -0.99 118.70 123.03 2dtt s GLU 114 Ca -0.06 -0.54 0.16 0.00 0.36 0.00 0.00 54.97 54.89 2dtt s GLU 114 Cb -0.15 -1.62 0.12 0.00 0.26 0.00 0.00 34.13 32.74 2dtt s GLU 114 CO 0.01 0.09 0.99 0.91 -0.54 0.00 0.00 175.26 176.72