#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o n GLU 2 N 0.00 0.83 -3.76 1.61 1.02 -1.25 -4.69 120.64 114.41 1s6o n GLU 2 Ca 0.00 -1.67 -0.36 0.00 -0.02 0.00 0.00 57.16 55.12 1s6o n GLU 2 Cb 0.00 -0.85 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1s6o s VAL 3 N 0.23 5.22 0.30 2.62 1.01 0.46 -4.84 120.40 125.40 1s6o s VAL 3 Ca 0.22 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 1s6o s VAL 3 Cb 0.29 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 1s6o s VAL 3 CO -0.08 0.40 1.02 0.54 0.00 0.00 0.00 175.10 176.98 1s6o s VAL 4 N 0.69 3.79 -0.05 2.92 0.11 -1.26 -1.02 120.40 125.57 1s6o s VAL 4 Ca 0.07 1.67 -0.02 0.00 -2.93 0.00 0.00 61.98 60.76 1s6o s VAL 4 Cb -0.12 -4.01 0.03 0.00 -1.53 0.00 0.00 36.38 30.75 1s6o s VAL 4 CO 0.01 0.30 0.11 -0.22 -3.33 0.00 0.00 175.10 171.97 1s6o s LEU 5 N -1.69 0.96 -0.18 2.54 1.98 0.37 -4.80 118.68 117.85 1s6o s LEU 5 Ca 0.47 0.23 -0.07 0.00 -2.89 0.00 0.00 54.13 51.86 1s6o s LEU 5 Cb -0.27 0.27 -0.04 0.00 0.66 0.00 0.00 46.19 46.81 1s6o s LEU 5 CO 0.34 -0.12 0.06 -0.54 -1.89 0.00 0.00 176.35 174.20 1s6o s LYS 6 N 0.94 3.98 0.20 1.98 1.02 -1.26 -0.70 119.74 125.90 1s6o s LYS 6 Ca -0.07 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1s6o s LYS 6 Cb -0.10 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1s6o s LYS 6 CO -0.04 0.27 -0.14 0.00 -0.92 0.00 0.00 175.35 174.51 1s6o s MET 7 N 0.39 1.30 -0.23 1.68 0.23 -0.19 -2.30 119.30 120.17 1s6o s MET 7 Ca 0.03 -1.56 -0.12 0.00 -1.03 0.00 0.00 55.69 53.01 1s6o s MET 7 Cb -0.12 -1.08 -0.05 0.00 -1.53 0.00 0.00 34.83 32.05 1s6o s MET 7 CO 0.00 0.18 0.22 0.15 -2.03 0.00 0.00 175.02 173.54 1s6o s LYS 8 N -3.60 4.09 -0.86 3.16 -0.14 0.56 -0.81 119.74 122.13 1s6o s LYS 8 Ca 0.21 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.66 1s6o s LYS 8 Cb -0.01 -3.55 0.23 0.00 -1.68 0.00 0.00 37.83 32.83 1s6o s LYS 8 CO 0.06 0.03 0.83 0.28 -0.76 0.00 0.00 175.35 175.78 1s6o n VAL 9 N 4.34 3.02 -2.21 3.17 0.31 -1.26 -0.52 118.33 125.18 1s6o n VAL 9 Ca -0.13 -5.20 -0.28 0.00 -0.01 0.00 0.00 64.34 58.72 1s6o n VAL 9 Cb 0.52 -2.28 0.04 0.00 -0.91 0.00 0.00 33.84 31.21 1s6o n VAL 9 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s6o s GLU 10 N -1.72 2.76 0.00 5.55 -1.05 -1.24 -4.48 118.70 118.53 1s6o s GLU 10 Ca 0.30 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1s6o s GLU 10 Cb -0.02 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 1s6o s GLU 10 CO -0.09 -0.90 0.00 0.41 0.95 0.00 0.00 175.26 175.63 1s6o n GLY 11 N -2.77 3.06 3.73 -3.83 0.00 -1.26 -4.15 105.19 99.96 1s6o n GLY 11 Ca 0.06 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1s6o n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6o s MET 12 N 0.00 1.72 0.54 1.61 -1.94 -1.26 -5.05 119.30 114.92 1s6o s MET 12 Ca 0.00 1.35 -0.02 0.00 -1.71 0.00 0.00 55.69 55.31 1s6o s MET 12 Cb 0.00 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 35.03 1s6o s MET 12 CO 0.00 -2.08 0.80 0.95 -0.01 0.00 0.00 175.02 174.68 1s6o s THR 13 N -2.77 3.47 0.33 2.05 -4.23 -1.26 -5.05 115.64 108.18 1s6o s THR 13 Ca 0.64 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1s6o s THR 13 Cb -0.20 -3.34 -0.12 0.00 1.34 0.00 0.00 72.50 70.19 1s6o s THR 13 CO 0.56 -0.29 1.44 0.00 -0.54 0.00 0.00 174.62 175.80 1s6o n HIS 15 N 1.03 -1.74 -2.00 0.00 -0.00 -1.26 -4.89 115.22 106.37 1s6o n HIS 15 Ca 0.06 0.49 -0.05 0.00 0.46 0.00 0.00 57.72 58.67 1s6o n HIS 15 Cb 0.36 -2.76 -0.05 0.00 -0.12 0.00 0.00 29.99 27.42 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o n SER 16 N -2.42 -0.79 0.00 0.26 2.88 -1.25 -5.09 113.62 107.22 1s6o n SER 16 Ca -0.23 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1s6o n SER 16 Cb 0.64 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6o n THR 18 N 0.00 0.00 -0.32 0.00 -2.24 -1.26 -0.89 114.28 109.57 1s6o n THR 18 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1s6o n THR 18 Cb 0.00 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 68.70 1s6o n THR 18 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6o h SER 19 N 0.00 0.51 0.14 3.42 0.02 -1.98 0.37 113.55 116.03 1s6o h SER 19 Ca 0.00 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1s6o h SER 19 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1s6o h SER 19 CO 0.00 0.11 -0.07 0.74 -1.14 0.00 0.00 176.83 176.48 1s6o h THR 20 N 0.46 0.87 0.12 -2.27 2.02 -1.42 0.11 112.91 112.80 1s6o h THR 20 Ca 0.59 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.76 1s6o h THR 20 Cb 1.39 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1s6o h THR 20 CO -0.32 0.01 -0.20 0.40 0.37 0.00 0.00 175.52 175.77 1s6o h ILE 21 N -0.20 0.55 0.54 3.11 5.03 -0.62 -1.42 117.51 124.49 1s6o h ILE 21 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.70 1s6o h ILE 21 Cb 0.15 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 34.48 1s6o h ILE 21 CO 0.03 0.00 -0.45 -0.33 -0.68 0.00 0.00 178.15 176.72 1s6o h GLU 22 N -0.38 -0.93 -0.39 2.37 5.08 -0.15 0.16 114.58 120.33 1s6o h GLU 22 Ca 0.02 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1s6o h GLU 22 Cb 0.40 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1s6o h GLU 22 CO -0.11 -0.62 -0.25 0.78 -1.00 0.00 0.00 179.01 177.81 1s6o h GLY 23 N -0.97 -0.06 0.97 -3.84 0.00 -0.85 0.36 103.07 98.67 1s6o h GLY 23 Ca -0.07 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1s6o h GLY 23 CO -0.01 -0.21 -0.04 1.70 0.00 0.00 0.00 176.54 177.98 1s6o h LYS 24 N -0.19 -0.11 0.00 4.80 1.63 -0.92 -2.59 116.57 119.19 1s6o h LYS 24 Ca 0.18 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1s6o h LYS 24 Cb 0.48 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1s6o h LYS 24 CO -0.50 -0.04 -0.14 0.82 -3.45 0.00 0.00 179.45 176.15 1s6o h ILE 25 N -0.15 0.53 0.00 2.00 1.08 -0.30 -1.10 117.51 119.57 1s6o h ILE 25 Ca -0.01 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1s6o h ILE 25 Cb 0.12 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1s6o h ILE 25 CO 0.02 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1s6o n GLY 26 N -0.49 -0.85 0.05 5.37 0.00 0.12 -0.52 105.19 108.87 1s6o n GLY 26 Ca -0.01 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1s6o n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s6o n LYS 27 N -2.22 0.17 -2.32 1.61 4.76 -0.41 -4.93 118.16 114.81 1s6o n LYS 27 Ca -0.01 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 55.10 1s6o n LYS 27 Cb 0.03 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6o s LEU 28 N -3.83 4.44 -0.13 -0.35 2.01 0.32 -4.93 118.68 116.21 1s6o s LEU 28 Ca 0.10 2.30 -0.29 0.00 0.01 0.00 0.00 54.13 56.26 1s6o s LEU 28 Cb 0.15 -3.61 -0.06 0.00 0.01 0.00 0.00 46.19 42.68 1s6o s LEU 28 CO 0.64 -0.41 2.09 0.00 1.01 0.00 0.00 176.35 179.68 1s6o s GLN 29 N -0.33 3.52 0.00 1.70 -2.07 -1.26 -2.35 119.66 118.87 1s6o s GLN 29 Ca 0.53 2.19 0.00 0.00 -1.82 0.00 0.00 55.36 56.27 1s6o s GLN 29 Cb -0.34 -4.28 0.00 0.00 -1.09 0.00 0.00 33.01 27.30 1s6o s GLN 29 CO 0.38 -1.66 0.00 0.41 -1.32 0.00 0.00 175.29 173.10 1s6o n GLY 30 N 5.27 2.35 3.72 2.60 0.00 -1.26 -3.74 105.19 114.14 1s6o n GLY 30 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1s6o n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6o s VAL 31 N -2.18 4.82 -0.22 1.61 1.01 -0.99 -3.76 120.40 120.69 1s6o s VAL 31 Ca 0.00 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 1s6o s VAL 31 Cb 0.00 -4.25 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 1s6o s VAL 31 CO 0.00 0.23 0.04 0.00 0.00 0.00 0.00 175.10 175.36 1s6o n GLN 32 N 3.56 0.56 -3.71 2.72 1.13 0.52 -4.89 117.38 117.26 1s6o n GLN 32 Ca 0.03 0.50 -0.10 0.00 -1.94 0.00 0.00 57.00 55.49 1s6o n GLN 32 Cb 0.51 -1.68 -0.05 0.00 0.11 0.00 0.00 30.24 29.12 1s6o n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6o s ARG 33 N -2.40 1.06 -0.04 -1.09 3.52 -1.19 -5.00 118.95 113.81 1s6o s ARG 33 Ca -0.29 -0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 54.45 1s6o s ARG 33 Cb 0.07 0.44 0.01 0.00 -1.56 0.00 0.00 34.95 33.92 1s6o s ARG 33 CO 0.53 -0.41 0.12 -1.50 -0.81 0.00 0.00 175.30 173.23 1s6o s ILE 34 N -3.83 0.01 -0.03 4.11 2.07 -1.26 -0.83 121.20 121.44 1s6o s ILE 34 Ca 0.05 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1s6o s ILE 34 Cb 0.02 -0.22 0.03 0.00 0.13 0.00 0.00 42.46 42.43 1s6o s ILE 34 CO -0.10 -0.06 0.04 -1.59 -1.91 0.00 0.00 174.94 171.31 1s6o s LYS 35 N -0.16 0.01 0.18 3.50 0.00 -0.10 -4.93 119.74 118.24 1s6o s LYS 35 Ca -0.02 0.24 0.10 0.00 0.00 0.00 0.00 55.97 56.28 1s6o s LYS 35 Cb -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 37.83 37.36 1s6o s LYS 35 CO 0.00 -0.23 -0.14 0.08 0.00 0.00 0.00 175.35 175.07 1s6o s VAL 36 N 1.51 2.96 0.12 1.79 1.01 -1.26 -0.62 120.40 125.90 1s6o s VAL 36 Ca -0.03 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 60.24 1s6o s VAL 36 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1s6o s VAL 36 CO -0.03 -0.11 -0.13 -0.55 0.00 0.00 0.00 175.10 174.28 1s6o s SER 37 N -2.78 1.88 -0.12 3.32 0.15 0.99 -4.93 113.70 112.21 1s6o s SER 37 Ca 0.24 -0.84 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 1s6o s SER 37 Cb -0.09 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1s6o s SER 37 CO 0.14 -0.19 -0.27 0.18 1.20 0.00 0.00 173.24 174.29 1s6o n LEU 38 N 0.43 1.75 0.19 3.45 4.77 -1.26 -2.98 117.00 123.35 1s6o n LEU 38 Ca -0.15 0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1s6o n LEU 38 Cb 0.58 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1s6o n LEU 38 CO 0.28 -0.35 0.57 0.44 -1.33 0.00 0.00 177.39 177.00 1s6o h ASP 39 N -0.78 -1.27 0.94 -1.43 5.19 -1.98 -0.61 116.42 116.49 1s6o h ASP 39 Ca -0.02 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1s6o h ASP 39 Cb 0.80 0.45 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1s6o h ASP 39 CO -0.01 -0.55 -0.13 0.78 -3.12 0.00 0.00 179.24 176.21 1s6o h ASN 40 N -0.78 0.00 -5.79 6.45 4.21 -2.01 -3.47 115.58 114.19 1s6o h ASN 40 Ca -0.01 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.17 1s6o h ASN 40 Cb 0.74 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 38.09 1s6o h ASN 40 CO -0.17 0.13 -0.89 1.67 -1.29 0.00 0.00 177.43 176.88 1s6o n GLN 41 N -3.28 -2.07 -3.57 0.81 7.27 -0.24 -5.01 117.38 111.30 1s6o n GLN 41 Ca 0.00 0.70 -0.11 0.00 0.07 0.00 0.00 57.00 57.66 1s6o n GLN 41 Cb 0.37 -5.13 -0.03 0.00 2.41 0.00 0.00 30.24 27.85 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6o s GLU 42 N -5.11 1.19 0.06 3.69 2.12 -1.16 -4.41 118.70 115.09 1s6o s GLU 42 Ca 0.44 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 55.08 1s6o s GLU 42 Cb -0.10 0.52 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 1s6o s GLU 42 CO 0.79 -0.50 0.05 0.00 -0.54 0.00 0.00 175.26 175.07 1s6o s ALA 43 N -3.79 0.20 -0.07 6.30 0.00 0.01 -0.01 121.76 124.39 1s6o s ALA 43 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1s6o s ALA 43 Cb 0.00 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1s6o s ALA 43 CO -0.11 -0.40 -0.16 0.99 0.00 0.00 0.00 175.76 176.08 1s6o s THR 44 N -3.66 1.40 0.33 0.00 2.01 0.21 -1.03 115.64 114.90 1s6o s THR 44 Ca 0.04 -0.64 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1s6o s THR 44 Cb 0.05 -1.25 -0.06 0.00 0.01 0.00 0.00 72.50 71.26 1s6o s THR 44 CO -0.09 0.41 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.54 1s6o s ILE 45 N 0.54 2.48 -0.14 1.82 1.09 0.13 -0.93 121.20 126.18 1s6o s ILE 45 Ca -0.15 -2.16 -0.00 0.00 -1.10 0.00 0.00 60.65 57.24 1s6o s ILE 45 Cb -0.16 -2.64 0.03 0.00 -1.06 0.00 0.00 42.46 38.63 1s6o s ILE 45 CO 0.05 -0.25 -0.08 0.54 -0.10 0.00 0.00 174.94 175.11 1s6o s VAL 46 N -2.54 1.16 0.28 2.92 0.11 -0.01 -0.48 120.40 121.85 1s6o s VAL 46 Ca 0.33 -0.51 -0.10 0.00 -2.93 0.00 0.00 61.98 58.76 1s6o s VAL 46 Cb -0.00 -1.24 0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1s6o s VAL 46 CO 0.17 0.27 0.56 0.00 -3.33 0.00 0.00 175.10 172.78 1s6o n TYR 47 N 4.88 -1.96 -4.07 1.54 0.18 -0.19 -0.35 117.16 117.17 1s6o n TYR 47 Ca -0.13 -1.36 -0.12 0.00 1.88 0.00 0.00 57.90 58.18 1s6o n TYR 47 Cb 0.49 0.66 -0.11 0.00 -0.38 0.00 0.00 39.34 40.00 1s6o n TYR 47 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1s6o s GLN 48 N -2.08 0.57 -1.00 -3.48 -0.21 -1.25 -0.41 119.66 111.81 1s6o s GLN 48 Ca 0.12 -0.88 -0.23 0.00 0.02 0.00 0.00 55.36 54.38 1s6o s GLN 48 Cb -0.03 -0.19 -0.14 0.00 1.00 0.00 0.00 33.01 33.65 1s6o s GLN 48 CO 0.09 0.01 1.92 -0.35 -2.12 0.00 0.00 175.29 174.85 1s6o n PRO 49 N 1.10 1.39 0.14 2.91 -0.04 -1.26 -3.77 135.00 135.47 1s6o n PRO 49 Ca -0.20 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1s6o n PRO 49 Cb 0.56 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 1s6o n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6o n HIS 50 N 12.47 -2.90 0.07 0.54 8.25 -1.26 -4.92 115.22 127.48 1s6o n HIS 50 Ca 0.46 0.72 -0.02 0.00 -0.26 0.00 0.00 57.72 58.62 1s6o n HIS 50 Cb 0.45 1.64 -0.06 0.00 1.12 0.00 0.00 29.99 33.13 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6o h LEU 51 N 0.00 0.00 -8.93 2.41 3.38 -1.84 -3.45 115.31 106.88 1s6o h LEU 51 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1s6o h LEU 51 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1s6o h LEU 51 CO 0.00 0.72 -0.83 -0.51 0.09 0.00 0.00 178.44 177.91 1s6o s ILE 52 N -2.83 2.56 -0.26 1.22 1.10 -1.24 -4.75 121.20 116.99 1s6o s ILE 52 Ca 0.00 -1.40 0.01 0.00 -0.51 0.00 0.00 60.65 58.76 1s6o s ILE 52 Cb 0.09 -2.09 0.14 0.00 0.15 0.00 0.00 42.46 40.75 1s6o s ILE 52 CO 0.79 0.25 1.09 -1.20 -2.11 0.00 0.00 174.94 173.77 1s6o n SER 53 N 1.34 2.89 0.00 4.50 7.64 -1.26 -4.29 113.62 124.45 1s6o n SER 53 Ca -0.17 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1s6o n SER 53 Cb 0.52 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1s6o n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s6o n VAL 54 N 0.15 0.00 0.09 0.44 0.31 -1.26 -3.92 118.33 114.14 1s6o n VAL 54 Ca 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1s6o n VAL 54 Cb 0.68 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.48 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6o h GLU 55 N 0.00 0.20 -0.38 5.55 4.81 -2.01 -3.34 114.58 119.42 1s6o h GLU 55 Ca 0.00 -0.33 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1s6o h GLU 55 Cb 0.00 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 1s6o h GLU 55 CO 0.00 1.15 -0.06 0.93 -0.73 0.00 0.00 179.01 180.30 1s6o h GLU 56 N 0.06 0.03 -0.58 1.92 4.39 -1.94 -1.25 114.58 117.22 1s6o h GLU 56 Ca -0.10 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1s6o h GLU 56 Cb 1.89 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.46 1s6o h GLU 56 CO 0.18 0.02 -0.32 -0.12 -1.16 0.00 0.00 179.01 177.62 1s6o n MET 57 N -5.26 -0.23 -0.05 2.33 1.56 -1.25 -0.26 117.12 113.96 1s6o n MET 57 Ca 0.02 0.88 -0.13 0.00 -0.27 0.00 0.00 57.70 58.20 1s6o n MET 57 Cb 0.21 -1.29 -0.07 0.00 2.15 0.00 0.00 33.22 34.22 1s6o n MET 57 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6o h LYS 58 N 0.00 0.32 -0.62 2.12 3.11 -1.47 -3.07 116.57 116.97 1s6o h LYS 58 Ca 0.12 -0.15 0.14 0.00 -2.81 0.00 0.00 60.65 57.95 1s6o h LYS 58 Cb 0.26 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1s6o h LYS 58 CO -0.55 0.68 0.43 0.87 -2.81 0.00 0.00 179.45 178.07 1s6o h LYS 59 N -0.04 0.20 -0.67 1.90 6.56 0.12 0.52 116.57 125.17 1s6o h LYS 59 Ca 0.03 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1s6o h LYS 59 Cb 0.60 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.19 1s6o h LYS 59 CO 0.03 0.13 0.31 1.96 -2.06 0.00 0.00 179.45 179.82 1s6o h GLN 60 N 0.20 0.97 -0.15 3.15 1.08 -0.53 0.38 115.11 120.21 1s6o h GLN 60 Ca 0.30 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1s6o h GLN 60 Cb 0.89 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1s6o h GLN 60 CO -0.05 0.77 0.04 0.82 -0.95 0.00 0.00 178.83 179.46 1s6o h ILE 61 N 0.93 1.19 -0.46 2.54 5.03 -0.99 -2.81 117.51 122.93 1s6o h ILE 61 Ca 0.23 -0.58 0.09 0.00 -0.12 0.00 0.00 64.86 64.48 1s6o h ILE 61 Cb 0.13 1.29 -0.09 0.00 -3.03 0.00 0.00 36.82 35.11 1s6o h ILE 61 CO -0.03 0.18 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.12 1s6o h GLU 62 N 0.06 -0.07 0.00 2.37 5.08 -0.37 -0.26 114.58 121.40 1s6o h GLU 62 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s6o h GLU 62 Cb 0.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s6o h GLU 62 CO -0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 179.01 177.97 1s6o h ALA 63 N 1.30 1.01 -0.04 3.43 0.00 -0.88 0.17 119.26 124.24 1s6o h ALA 63 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s6o h ALA 63 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1s6o h ALA 63 CO -0.51 -0.01 -0.04 0.52 0.00 0.00 0.00 179.25 179.21 1s6o h MET 64 N 0.00 0.06 0.00 0.00 2.86 -0.77 -3.46 114.93 113.62 1s6o h MET 64 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1s6o h MET 64 Cb 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1s6o h MET 64 CO 0.00 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1s6o n GLY 65 N -1.34 0.74 3.10 8.32 0.00 0.50 -5.15 105.19 111.36 1s6o n GLY 65 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1s6o n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6o s PHE 66 N -1.37 -0.53 -0.03 1.61 0.08 -0.64 -5.04 117.98 112.05 1s6o s PHE 66 Ca 0.00 1.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.88 1s6o s PHE 66 Cb 0.00 0.09 -0.07 0.00 -0.57 0.00 0.00 43.02 42.47 1s6o s PHE 66 CO 0.00 -0.37 1.88 -1.25 -0.10 0.00 0.00 175.22 175.38 1s6o s PRO 67 N 2.24 4.03 0.46 0.24 0.04 -1.26 -4.07 135.00 136.69 1s6o s PRO 67 Ca -0.02 2.38 0.03 0.00 0.04 0.00 0.00 61.00 63.43 1s6o s PRO 67 Cb -0.11 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1s6o s PRO 67 CO -0.10 -1.06 0.01 0.00 0.04 0.00 0.00 177.00 175.89 1s6o s ALA 68 N 4.78 3.67 -0.17 8.56 0.00 -1.26 -3.60 121.76 133.74 1s6o s ALA 68 Ca 0.84 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 1s6o s ALA 68 Cb -0.38 0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1s6o s ALA 68 CO 0.37 -0.08 0.46 -0.06 0.00 0.00 0.00 175.76 176.45 1s6o s PHE 69 N -2.85 -0.53 -0.12 0.00 0.08 0.33 -4.95 117.98 109.94 1s6o s PHE 69 Ca 0.18 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1s6o s PHE 69 Cb 0.05 0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.68 1s6o s PHE 69 CO 0.09 -0.26 -0.13 0.54 -0.10 0.00 0.00 175.22 175.36 1s6o s VAL 70 N 0.40 3.05 0.00 -0.44 0.11 -1.26 -0.33 120.40 121.93 1s6o s VAL 70 Ca -0.01 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1s6o s VAL 70 Cb -0.04 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1s6o s VAL 70 CO -0.01 0.53 0.00 0.29 -3.33 0.00 0.00 175.10 172.58 1s6o n LYS 71 N 3.38 0.00 -3.57 1.54 5.02 -0.97 -4.99 118.16 118.56 1s6o n LYS 71 Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 1s6o n LYS 71 Cb 0.53 -0.34 -0.07 0.00 -0.02 0.00 0.00 35.03 35.13 1s6o n LYS 71 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1s6o s LYS 72 N 0.00 0.95 -0.13 1.97 -2.85 -1.26 -5.10 119.74 113.31 1s6o s LYS 72 Ca 0.00 0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 55.32 1s6o s LYS 72 Cb 0.00 0.45 0.05 0.00 -2.06 0.00 0.00 37.83 36.27 1s6o s LYS 72 CO 0.00 -0.25 0.32 -1.50 0.10 0.00 0.00 175.35 174.02 1s6o s ILE 73 N -0.73 -0.02 0.16 3.79 -1.16 -1.26 -4.48 121.20 117.50 1s6o s ILE 73 Ca -0.08 0.08 -0.19 0.00 -0.51 0.00 0.00 60.65 59.95 1s6o s ILE 73 Cb -0.02 -0.48 0.05 0.00 0.61 0.00 0.00 42.46 42.62 1s6o s ILE 73 CO 0.07 0.03 0.52 -1.61 -2.81 0.00 0.00 174.94 171.14 1s6o s GLU 74 N 0.95 1.25 -0.30 3.50 0.41 -1.26 -5.09 118.70 118.16 1s6o s GLU 74 Ca -0.06 -0.66 -0.41 0.00 -0.41 0.00 0.00 54.97 53.43 1s6o s GLU 74 Cb -0.07 0.54 -0.16 0.00 -1.78 0.00 0.00 34.13 32.66 1s6o s GLU 74 CO -0.07 -0.53 1.74 0.41 -0.49 0.00 0.00 175.26 176.32 1s6o n GLY 75 N -0.32 0.81 0.00 -1.39 0.00 -1.26 -4.92 105.19 98.11 1s6o n GLY 75 Ca -0.15 0.94 0.15 0.00 0.00 0.00 0.00 46.02 46.97 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19