#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwb n THR 3 N 0.00 0.90 -0.25 2.46 -2.24 -1.26 -2.96 114.28 110.93 1mwb n THR 3 Ca 0.00 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1mwb n THR 3 Cb 0.00 -1.07 0.34 0.00 -2.10 0.00 0.00 70.33 67.50 1mwb n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1mwb h LEU 4 N 0.00 0.71 -1.94 3.22 3.38 -2.05 0.23 115.31 118.86 1mwb h LEU 4 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1mwb h LEU 4 Cb 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1mwb h LEU 4 CO 0.00 0.41 -0.03 1.88 0.09 0.00 0.00 178.44 180.79 1mwb h TYR 5 N 0.78 0.00 -0.90 1.13 0.05 -1.93 -2.77 116.97 113.33 1mwb h TYR 5 Ca 0.40 0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.35 1mwb h TYR 5 Cb 0.48 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.15 1mwb h TYR 5 CO -0.00 0.03 0.58 1.49 -1.05 0.00 0.00 178.16 179.21 1mwb h GLU 6 N 0.00 0.55 -0.79 4.88 4.81 -0.73 0.17 114.58 123.47 1mwb h GLU 6 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1mwb h GLU 6 Cb 0.36 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1mwb h GLU 6 CO 0.00 0.36 0.48 0.87 -0.73 0.00 0.00 179.01 179.99 1mwb h LYS 7 N 0.57 1.07 0.00 1.92 1.57 -1.62 -1.04 116.57 119.03 1mwb h LYS 7 Ca 0.46 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1mwb h LYS 7 Cb 0.92 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1mwb h LYS 7 CO -0.21 0.75 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.14 1mwb h LEU 8 N 1.09 0.00 0.00 2.94 -0.00 -0.85 -3.46 115.31 115.03 1mwb h LEU 8 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1mwb h LEU 8 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1mwb h LEU 8 CO -0.05 0.21 0.00 0.61 -0.00 0.00 0.00 178.44 179.20 1mwb n GLY 9 N -0.52 1.27 0.00 0.83 0.00 -0.39 -4.94 105.19 101.44 1mwb n GLY 9 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mwb n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 10 N -1.38 3.58 0.09 -0.02 0.00 -1.16 -4.82 105.19 101.48 1mwb n GLY 10 Ca 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1mwb n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwb h THR 11 N 0.37 1.60 -0.70 2.61 1.03 -1.96 -3.26 112.91 112.60 1mwb h THR 11 Ca 0.00 -3.08 0.06 0.00 -0.01 0.00 0.00 66.41 63.37 1mwb h THR 11 Cb 0.00 2.75 -0.05 0.00 -1.07 0.00 0.00 68.15 69.77 1mwb h THR 11 CO 0.00 0.89 0.41 0.00 -0.01 0.00 0.00 175.52 176.80 1mwb h THR 12 N 0.04 1.00 -0.18 0.00 1.03 -1.99 -1.55 112.91 111.27 1mwb h THR 12 Ca -0.05 -0.26 -0.08 0.00 -0.01 0.00 0.00 66.41 66.01 1mwb h THR 12 Cb 1.72 0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1mwb h THR 12 CO 0.15 0.14 -0.26 0.00 -0.01 0.00 0.00 175.52 175.53 1mwb h ALA 13 N 1.35 1.23 -0.23 0.00 0.00 -1.88 -2.57 119.26 117.16 1mwb h ALA 13 Ca 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 13 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mwb h ALA 13 CO -0.17 0.51 0.13 0.28 0.00 0.00 0.00 179.25 180.00 1mwb h VAL 14 N 0.29 1.10 -0.19 0.00 2.07 -1.33 -2.37 116.25 115.83 1mwb h VAL 14 Ca 0.04 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1mwb h VAL 14 Cb 0.62 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1mwb h VAL 14 CO 0.04 0.10 -0.31 -2.24 0.02 0.00 0.00 177.57 175.19 1mwb h ASP 15 N 0.27 0.37 -0.92 0.57 3.04 -1.39 -2.87 116.42 115.49 1mwb h ASP 15 Ca 0.08 -0.13 0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1mwb h ASP 15 Cb 0.04 -0.10 -0.05 0.00 -1.04 0.00 0.00 39.33 38.18 1mwb h ASP 15 CO -0.01 0.67 0.60 0.25 -2.04 0.00 0.00 179.24 178.71 1mwb h LEU 16 N 0.32 1.01 -0.43 0.15 6.46 -1.09 -0.02 115.31 121.72 1mwb h LEU 16 Ca 0.04 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1mwb h LEU 16 Cb 0.71 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1mwb h LEU 16 CO 0.05 0.71 0.02 0.00 -0.62 0.00 0.00 178.44 178.60 1mwb h ALA 17 N 1.36 0.57 -0.43 1.25 0.00 -1.22 -1.86 119.26 118.93 1mwb h ALA 17 Ca 0.35 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1mwb h ALA 17 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1mwb h ALA 17 CO -0.10 0.34 0.09 0.28 0.00 0.00 0.00 179.25 179.86 1mwb h VAL 18 N 0.59 1.24 0.01 0.00 2.07 -1.30 0.17 116.25 119.02 1mwb h VAL 18 Ca 0.12 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1mwb h VAL 18 Cb 0.46 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1mwb h VAL 18 CO 0.02 0.30 -0.00 0.44 0.02 0.00 0.00 177.57 178.34 1mwb h ASP 19 N 0.56 -0.01 -0.26 0.57 3.32 -0.94 0.15 116.42 119.81 1mwb h ASP 19 Ca 0.13 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1mwb h ASP 19 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1mwb h ASP 19 CO 0.01 0.06 0.03 0.50 -1.72 0.00 0.00 179.24 178.12 1mwb h LYS 20 N -0.08 0.44 -0.92 3.56 3.64 -1.30 -2.88 116.57 119.03 1mwb h LYS 20 Ca -0.00 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1mwb h LYS 20 Cb 0.07 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1mwb h LYS 20 CO 0.00 0.57 0.60 0.35 -2.27 0.00 0.00 179.45 178.70 1mwb h PHE 21 N 0.24 1.12 -0.53 1.91 3.57 -0.56 -2.18 116.94 120.51 1mwb h PHE 21 Ca 0.08 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1mwb h PHE 21 Cb 0.35 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1mwb h PHE 21 CO 0.02 0.66 0.25 -0.92 -2.23 0.00 0.00 178.31 176.09 1mwb h TYR 22 N 1.17 0.45 -0.28 0.41 3.20 -0.50 -2.00 116.97 119.41 1mwb h TYR 22 Ca 0.36 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.16 1mwb h TYR 22 Cb -0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1mwb h TYR 22 CO -0.00 0.20 -0.21 0.93 -1.64 0.00 0.00 178.16 177.44 1mwb h GLU 23 N 0.48 0.53 -0.88 1.82 4.39 -1.23 -2.88 114.58 116.80 1mwb h GLU 23 Ca 0.24 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.79 1mwb h GLU 23 Cb 0.19 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1mwb h GLU 23 CO -0.19 0.71 0.58 0.00 -1.16 0.00 0.00 179.01 178.95 1mwb h ARG 24 N 0.47 1.06 -0.16 2.33 3.08 -0.82 0.57 114.38 120.92 1mwb h ARG 24 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1mwb h ARG 24 Cb 0.63 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1mwb h ARG 24 CO 0.04 0.70 0.06 0.28 -1.07 0.00 0.00 179.97 179.98 1mwb h VAL 25 N 1.10 1.17 -0.39 2.04 2.07 -1.27 -0.52 116.25 120.44 1mwb h VAL 25 Ca 0.35 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1mwb h VAL 25 Cb 0.04 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1mwb h VAL 25 CO -0.11 0.16 -0.19 -0.07 0.02 0.00 0.00 177.57 177.38 1mwb h LEU 26 N 0.09 0.76 -1.40 2.57 3.38 -1.37 -2.73 115.31 116.61 1mwb h LEU 26 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1mwb h LEU 26 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1mwb h LEU 26 CO -0.00 0.94 0.17 -0.61 0.09 0.00 0.00 178.44 179.03 1mwb h GLN 27 N 0.67 0.57 -6.42 1.13 4.15 0.38 -3.39 115.11 112.20 1mwb h GLN 27 Ca 0.10 -0.07 -0.55 0.00 0.77 0.00 0.00 58.65 58.90 1mwb h GLN 27 Cb 0.68 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 1mwb h GLN 27 CO 0.05 0.47 1.08 0.34 -1.93 0.00 0.00 178.83 178.85 1mwb s ASP 28 N -6.68 6.16 0.44 -0.69 2.15 -0.23 -4.86 116.67 112.96 1mwb s ASP 28 Ca -0.08 0.22 0.12 0.00 0.43 0.00 0.00 52.55 53.23 1mwb s ASP 28 Cb 0.17 -2.55 0.96 0.00 -0.30 0.00 0.00 42.92 41.20 1mwb s ASP 28 CO 0.75 -1.70 2.01 -0.78 -0.17 0.00 0.00 175.17 175.29 1mwb h ASP 29 N 10.85 0.17 -1.00 -0.34 3.58 -1.83 0.60 116.42 128.45 1mwb h ASP 29 Ca -0.27 -0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.29 1mwb h ASP 29 Cb 1.09 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.00 1mwb h ASP 29 CO 1.19 0.24 0.63 0.03 -2.88 0.00 0.00 179.24 178.45 1mwb h ARG 30 N 0.19 0.94 -0.01 0.28 3.08 -1.93 -2.76 114.38 114.17 1mwb h ARG 30 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mwb h ARG 30 Cb 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1mwb h ARG 30 CO 0.01 0.62 -0.10 0.44 -1.07 0.00 0.00 179.97 179.87 1mwb n ILE 31 N -4.64 0.00 -0.14 2.04 -5.35 -1.07 -4.60 119.36 105.60 1mwb n ILE 31 Ca 0.19 -0.45 0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1mwb n ILE 31 Cb 0.37 1.14 0.40 0.00 -1.74 0.00 0.00 39.64 39.82 1mwb n ILE 31 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1mwb h LYS 32 N 1.37 0.62 -0.84 6.28 3.64 -0.57 -1.15 116.57 125.92 1mwb h LYS 32 Ca 0.00 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1mwb h LYS 32 Cb 0.34 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1mwb h LYS 32 CO 0.00 0.41 0.55 1.12 -2.27 0.00 0.00 179.45 179.26 1mwb h HIS 33 N 0.64 0.74 -0.64 1.91 2.07 -1.82 0.67 115.15 118.73 1mwb h HIS 33 Ca 0.29 0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.79 1mwb h HIS 33 Cb 0.33 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 30.04 1mwb h HIS 33 CO -0.00 0.30 0.20 0.74 -3.07 0.00 0.00 177.93 176.09 1mwb h PHE 34 N 0.65 1.00 -0.52 6.12 0.04 -1.54 -2.37 116.94 120.32 1mwb h PHE 34 Ca 0.41 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1mwb h PHE 34 Cb 0.67 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1mwb h PHE 34 CO -0.00 0.80 0.00 1.19 -0.60 0.00 0.00 178.31 179.70 1mwb n PHE 35 N -4.27 0.69 -0.25 -0.55 3.72 0.44 -4.37 117.46 112.87 1mwb n PHE 35 Ca 0.05 -0.34 0.06 0.00 -0.05 0.00 0.00 57.45 57.17 1mwb n PHE 35 Cb 0.21 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.06 1mwb n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mwb h ALA 36 N 4.22 1.63 -2.59 4.37 0.00 0.76 -3.33 119.26 124.32 1mwb h ALA 36 Ca 0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1mwb h ALA 36 Cb 0.83 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.01 1mwb h ALA 36 CO 0.00 0.24 -0.86 -0.51 0.00 0.00 0.00 179.25 178.12 1mwb s ASP 37 N -6.07 2.73 -0.12 0.00 1.01 -1.26 -5.09 116.67 107.88 1mwb s ASP 37 Ca -0.11 -2.44 -0.13 0.00 0.71 0.00 0.00 52.55 50.58 1mwb s ASP 37 Cb 0.20 -0.49 0.03 0.00 1.01 0.00 0.00 42.92 43.67 1mwb s ASP 37 CO 0.79 -0.27 0.36 -0.69 0.21 0.00 0.00 175.17 175.56 1mwb s VAL 38 N 0.74 0.01 0.04 -1.27 1.01 -1.25 -5.11 120.40 114.57 1mwb s VAL 38 Ca 0.21 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1mwb s VAL 38 Cb -0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1mwb s VAL 38 CO -0.04 -0.03 1.62 1.51 0.00 0.00 0.00 175.10 178.16 1mwb s ASP 39 N -0.01 6.65 0.52 3.32 1.47 -1.26 -4.87 116.67 122.48 1mwb s ASP 39 Ca -0.02 2.40 0.19 0.00 1.18 0.00 0.00 52.55 56.30 1mwb s ASP 39 Cb -0.03 -2.56 1.29 0.00 -0.34 0.00 0.00 42.92 41.29 1mwb s ASP 39 CO 0.01 -0.87 2.09 0.00 0.68 0.00 0.00 175.17 177.08 1mwb h MET 40 N 8.45 0.03 0.00 2.11 -0.00 -1.99 -2.69 114.93 120.84 1mwb h MET 40 Ca -0.42 -0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.31 1mwb h MET 40 Cb 1.19 -0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 32.75 1mwb h MET 40 CO 0.93 0.02 -0.22 0.00 -0.00 0.00 0.00 176.91 177.64 1mwb h ALA 41 N 1.90 -0.29 -0.46 -3.00 0.00 -2.02 -1.78 119.26 113.61 1mwb h ALA 41 Ca 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1mwb h ALA 41 Cb 0.35 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1mwb h ALA 41 CO -0.00 -0.72 0.08 0.87 0.00 0.00 0.00 179.25 179.48 1mwb h LYS 42 N -0.35 0.71 -0.82 0.00 1.57 -1.88 -2.63 116.57 113.17 1mwb h LYS 42 Ca 0.06 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1mwb h LYS 42 Cb 0.43 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1mwb h LYS 42 CO -0.20 0.67 0.53 1.96 -0.57 0.00 0.00 179.45 181.85 1mwb h GLN 43 N 0.68 0.91 -0.78 3.15 4.20 -1.21 -0.13 115.11 121.94 1mwb h GLN 43 Ca 0.15 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1mwb h GLN 43 Cb 0.31 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 1mwb h GLN 43 CO 0.00 0.60 0.45 -0.09 -0.67 0.00 0.00 178.83 179.13 1mwb h ARG 44 N 0.94 0.77 -0.05 1.46 2.43 -0.96 0.21 114.38 119.18 1mwb h ARG 44 Ca 0.34 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.25 1mwb h ARG 44 Cb 0.15 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1mwb h ARG 44 CO -0.11 0.51 -0.81 0.00 -1.51 0.00 0.00 179.97 178.05 1mwb h ALA 45 N 1.41 0.17 0.11 2.80 0.00 -1.39 -2.32 119.26 120.04 1mwb h ALA 45 Ca 0.36 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1mwb h ALA 45 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 45 CO -0.21 0.57 -0.05 1.25 0.00 0.00 0.00 179.25 180.81 1mwb h HIS 46 N 0.29 -0.14 -0.74 0.00 -0.00 -0.50 0.48 115.15 114.54 1mwb h HIS 46 Ca -0.09 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.23 1mwb h HIS 46 Cb 1.47 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.89 1mwb h HIS 46 CO 0.11 -0.06 0.25 1.96 -0.00 0.00 0.00 177.93 180.19 1mwb h GLN 47 N -0.18 1.13 -0.73 5.26 1.08 -0.71 -1.82 115.11 119.15 1mwb h GLN 47 Ca -0.01 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 1mwb h GLN 47 Cb 0.14 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1mwb h GLN 47 CO 0.02 0.95 0.37 -0.22 -0.95 0.00 0.00 178.83 179.01 1mwb h LYS 48 N 1.08 1.03 -0.41 1.46 3.64 -1.19 -2.42 116.57 119.77 1mwb h LYS 48 Ca 0.24 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1mwb h LYS 48 Cb 0.28 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1mwb h LYS 48 CO -0.01 0.79 -0.06 0.00 -2.27 0.00 0.00 179.45 177.90 1mwb h ALA 49 N 1.19 1.14 -0.07 5.00 0.00 -0.59 -2.13 119.26 123.79 1mwb h ALA 49 Ca 0.25 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 49 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mwb h ALA 49 CO -0.04 0.55 0.03 0.35 0.00 0.00 0.00 179.25 180.14 1mwb h PHE 50 N 0.64 0.05 -0.47 0.00 3.57 -0.85 0.49 116.94 120.37 1mwb h PHE 50 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1mwb h PHE 50 Cb 0.48 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1mwb h PHE 50 CO 0.02 0.03 0.18 1.25 -2.23 0.00 0.00 178.31 177.56 1mwb h LEU 51 N 0.07 0.65 -0.65 0.59 6.46 -1.37 -1.37 115.31 119.70 1mwb h LEU 51 Ca 0.03 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1mwb h LEU 51 Cb 0.01 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1mwb h LEU 51 CO -0.03 0.65 0.23 0.74 -0.62 0.00 0.00 178.44 179.41 1mwb h THR 52 N 0.62 1.25 -0.81 1.05 2.02 -1.11 -2.17 112.91 113.76 1mwb h THR 52 Ca 0.16 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1mwb h THR 52 Cb 0.21 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1mwb h THR 52 CO -0.01 0.32 0.38 0.22 0.37 0.00 0.00 175.52 176.79 1mwb h TYR 53 N 0.94 1.17 -0.52 3.16 3.20 0.24 -2.01 116.97 123.14 1mwb h TYR 53 Ca 0.21 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1mwb h TYR 53 Cb 0.26 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1mwb h TYR 53 CO 0.02 0.86 0.07 0.00 -1.64 0.00 0.00 178.16 177.46 1mwb h ALA 54 N 1.20 0.69 0.00 1.82 0.00 -1.00 0.74 119.26 122.72 1mwb h ALA 54 Ca 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 54 Cb 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mwb h ALA 54 CO -0.03 0.45 -0.16 0.74 0.00 0.00 0.00 179.25 180.24 1mwb h PHE 55 N 0.75 0.00 -0.61 0.00 -1.00 -1.16 -3.39 116.94 111.53 1mwb h PHE 55 Ca 0.16 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.84 1mwb h PHE 55 Cb 0.43 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 39.83 1mwb h PHE 55 CO 0.03 0.16 -0.35 0.41 -1.61 0.00 0.00 178.31 176.95 1mwb n GLY 56 N -0.44 -0.94 3.12 -1.45 0.00 -0.78 -5.04 105.19 99.66 1mwb n GLY 56 Ca -0.01 0.73 -0.22 0.00 0.00 0.00 0.00 46.02 46.51 1mwb n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 57 N 2.66 -0.90 3.33 -0.02 0.00 0.26 -4.64 105.19 105.88 1mwb n GLY 57 Ca 0.14 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1mwb n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mwb s THR 58 N -3.12 2.44 0.24 2.61 2.01 -1.26 -5.02 115.64 113.53 1mwb s THR 58 Ca 0.59 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1mwb s THR 58 Cb -0.02 -1.92 0.22 0.00 0.01 0.00 0.00 72.50 70.78 1mwb s THR 58 CO 0.41 0.57 1.88 0.44 -0.69 0.00 0.00 174.62 177.23 1mwb h ASP 59 N 5.97 0.94 -3.70 3.53 3.32 -1.96 -3.43 116.42 121.10 1mwb h ASP 59 Ca -0.35 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.37 1mwb h ASP 59 Cb 1.17 -0.21 -0.31 0.00 0.22 0.00 0.00 39.33 40.21 1mwb h ASP 59 CO 0.49 0.64 -0.75 -0.54 -1.72 0.00 0.00 179.24 177.36 1mwb s LYS 60 N -6.09 0.40 -0.06 3.56 1.02 -1.26 -4.60 119.74 112.70 1mwb s LYS 60 Ca -0.13 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 55.79 1mwb s LYS 60 Cb 0.18 -0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1mwb s LYS 60 CO 0.80 -0.00 -0.06 -0.47 -0.92 0.00 0.00 175.35 174.69 1mwb s TYR 61 N 0.38 1.03 -0.12 3.18 5.04 -1.26 -5.13 117.35 120.47 1mwb s TYR 61 Ca -0.04 -0.37 -0.20 0.00 -2.44 0.00 0.00 57.07 54.03 1mwb s TYR 61 Cb -0.07 -0.87 -0.04 0.00 0.35 0.00 0.00 41.96 41.33 1mwb s TYR 61 CO -0.01 -0.28 0.55 -0.51 -1.34 0.00 0.00 175.55 173.96 1mwb s ASP 62 N 1.11 6.75 0.00 4.32 1.01 -1.26 -4.93 116.67 123.67 1mwb s ASP 62 Ca -0.07 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.08 1mwb s ASP 62 Cb -0.14 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1mwb s ASP 62 CO -0.01 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1mwb n GLY 63 N 3.31 -0.64 0.36 0.21 0.00 -1.26 -5.01 105.19 102.15 1mwb n GLY 63 Ca -0.05 0.59 0.13 0.00 0.00 0.00 0.00 46.02 46.70 1mwb n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwb h ARG 64 N 0.00 0.31 -0.93 1.61 2.43 -2.01 -1.31 114.38 114.49 1mwb h ARG 64 Ca 0.00 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1mwb h ARG 64 Cb 0.00 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.38 1mwb h ARG 64 CO 0.00 0.21 0.52 -0.92 -1.51 0.00 0.00 179.97 178.27 1mwb h TYR 65 N 0.32 0.92 -0.65 2.20 3.20 -1.99 0.17 116.97 121.15 1mwb h TYR 65 Ca 0.27 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1mwb h TYR 65 Cb 0.62 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1mwb h TYR 65 CO -0.00 0.23 0.38 0.52 -1.64 0.00 0.00 178.16 177.65 1mwb h MET 66 N 0.71 0.89 -0.30 1.82 2.86 -1.64 -2.27 114.93 117.02 1mwb h MET 66 Ca 0.51 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.91 1mwb h MET 66 Cb 0.73 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1mwb h MET 66 CO -0.36 0.65 -0.44 0.00 1.06 0.00 0.00 176.91 177.82 1mwb h ARG 67 N 0.88 0.76 -0.94 1.72 3.08 -1.20 -2.41 114.38 116.28 1mwb h ARG 67 Ca 0.23 -0.42 0.07 0.00 0.07 0.00 0.00 59.98 59.93 1mwb h ARG 67 Cb -0.00 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1mwb h ARG 67 CO -0.04 1.05 0.59 1.49 -1.07 0.00 0.00 179.97 181.99 1mwb h GLU 68 N 0.61 1.05 0.18 0.04 4.57 -0.33 0.45 114.58 121.14 1mwb h GLU 68 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1mwb h GLU 68 Cb 1.00 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1mwb h GLU 68 CO 0.10 0.69 -0.09 0.00 -1.18 0.00 0.00 179.01 178.53 1mwb h ALA 69 N 1.43 -0.24 -0.98 2.92 0.00 -1.38 -2.96 119.26 118.06 1mwb h ALA 69 Ca 0.41 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1mwb h ALA 69 Cb 0.18 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1mwb h ALA 69 CO -0.18 -0.22 0.64 0.45 0.00 0.00 0.00 179.25 179.93 1mwb h HIS 70 N -1.06 1.19 -0.28 0.00 3.86 -1.42 -1.57 115.15 115.87 1mwb h HIS 70 Ca -0.02 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1mwb h HIS 70 Cb 0.22 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1mwb h HIS 70 CO 0.01 0.66 -0.06 1.57 0.86 0.00 0.00 177.93 180.97 1mwb h LYS 71 N 1.21 0.44 -0.75 2.45 5.09 -0.23 -1.83 116.57 122.95 1mwb h LYS 71 Ca 0.40 -0.10 0.07 0.00 0.09 0.00 0.00 60.65 61.10 1mwb h LYS 71 Cb 0.05 -0.06 -0.05 0.00 0.10 0.00 0.00 32.23 32.27 1mwb h LYS 71 CO -0.14 0.52 0.49 1.49 -2.09 0.00 0.00 179.45 179.72 1mwb h GLU 72 N 0.42 0.75 -0.25 0.07 4.81 -1.10 -0.15 114.58 119.13 1mwb h GLU 72 Ca 0.09 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1mwb h GLU 72 Cb 0.37 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1mwb h GLU 72 CO 0.02 0.50 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.41 1mwb h LEU 73 N 0.77 0.53 -0.75 1.64 3.38 -1.20 -0.90 115.31 118.79 1mwb h LEU 73 Ca 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1mwb h LEU 73 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1mwb h LEU 73 CO -0.11 0.82 0.36 0.58 0.09 0.00 0.00 178.44 180.18 1mwb h VAL 74 N 0.45 1.24 0.16 1.22 2.07 -0.79 0.22 116.25 120.82 1mwb h VAL 74 Ca 0.06 -0.69 -0.34 0.00 0.82 0.00 0.00 66.70 66.55 1mwb h VAL 74 Cb 0.76 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1mwb h VAL 74 CO 0.06 0.29 -1.72 1.05 0.02 0.00 0.00 177.57 177.27 1mwb h GLU 75 N 1.06 0.34 0.04 1.57 4.11 -1.42 -2.49 114.58 117.78 1mwb h GLU 75 Ca 0.26 -0.58 -0.13 0.00 0.07 0.00 0.00 59.36 58.98 1mwb h GLU 75 Cb 0.12 0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1mwb h GLU 75 CO -0.03 1.28 -0.53 -0.91 0.07 0.00 0.00 179.01 178.89 1mwb h ASN 76 N 0.00 0.40 0.04 3.06 2.35 -1.19 -3.37 115.58 116.87 1mwb h ASN 76 Ca -0.35 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 54.57 1mwb h ASN 76 Cb 2.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1mwb h ASN 76 CO 0.13 1.19 -1.42 1.41 -1.65 0.00 0.00 177.43 177.10 1mwb n HIS 77 N -4.29 0.03 -2.41 1.19 8.25 0.68 -5.00 115.22 113.66 1mwb n HIS 77 Ca -0.11 0.01 -0.03 0.00 -0.26 0.00 0.00 57.72 57.33 1mwb n HIS 77 Cb 0.66 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.53 1mwb n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mwb n GLY 78 N 1.39 0.55 3.71 -1.41 0.00 -0.57 -4.98 105.19 103.88 1mwb n GLY 78 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1mwb n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mwb s LEU 79 N -2.19 4.39 0.42 0.99 2.96 -1.14 -4.96 118.68 119.14 1mwb s LEU 79 Ca 0.04 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.63 1mwb s LEU 79 Cb -0.02 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1mwb s LEU 79 CO 0.09 -0.21 0.15 0.54 -1.32 0.00 0.00 176.35 175.60 1mwb s ASN 80 N 0.81 2.86 0.50 3.68 4.22 -1.26 -4.54 114.94 121.21 1mwb s ASN 80 Ca 0.50 -1.73 0.19 0.00 -2.14 0.00 0.00 52.86 49.67 1mwb s ASN 80 Cb -0.21 0.60 1.24 0.00 1.28 0.00 0.00 41.25 44.16 1mwb s ASN 80 CO 0.27 -0.99 2.04 1.23 -2.04 0.00 0.00 177.10 177.62 1mwb h GLY 81 N 1.74 0.17 0.85 0.45 0.00 -1.98 -1.41 103.07 102.89 1mwb h GLY 81 Ca -0.34 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 46.98 1mwb h GLY 81 CO 0.54 0.04 0.65 0.83 0.00 0.00 0.00 176.54 178.60 1mwb h GLU 82 N 0.13 1.21 -0.29 4.80 4.39 -1.99 0.11 114.58 122.93 1mwb h GLU 82 Ca 0.17 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1mwb h GLU 82 Cb 0.53 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1mwb h GLU 82 CO -0.02 0.80 0.07 0.45 -1.16 0.00 0.00 179.01 179.15 1mwb h HIS 83 N 1.25 0.49 -0.59 4.33 3.86 -1.66 -2.11 115.15 120.71 1mwb h HIS 83 Ca 0.41 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1mwb h HIS 83 Cb 0.04 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1mwb h HIS 83 CO -0.00 0.53 0.38 0.35 0.86 0.00 0.00 177.93 180.05 1mwb h PHE 84 N 0.30 0.75 -0.83 2.45 3.57 -1.30 -2.25 116.94 119.64 1mwb h PHE 84 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1mwb h PHE 84 Cb 0.29 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1mwb h PHE 84 CO 0.01 0.49 0.55 -0.44 -2.23 0.00 0.00 178.31 176.69 1mwb h ASP 85 N 0.80 0.92 -0.46 0.41 3.32 -0.66 -0.40 116.42 120.36 1mwb h ASP 85 Ca 0.21 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1mwb h ASP 85 Cb -0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1mwb h ASP 85 CO -0.04 0.65 0.18 0.00 -1.72 0.00 0.00 179.24 178.31 1mwb h ALA 86 N 1.50 0.59 -0.32 3.45 0.00 -0.81 0.31 119.26 123.98 1mwb h ALA 86 Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 86 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mwb h ALA 86 CO -0.08 0.21 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 1mwb h VAL 87 N 0.60 1.27 -0.64 0.00 2.07 -1.00 -2.31 116.25 116.23 1mwb h VAL 87 Ca 0.15 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1mwb h VAL 87 Cb 0.20 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1mwb h VAL 87 CO -0.01 0.34 0.06 0.00 0.02 0.00 0.00 177.57 177.98 1mwb h ALA 88 N 0.82 0.86 -0.78 1.67 0.00 -0.94 -2.74 119.26 118.15 1mwb h ALA 88 Ca 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1mwb h ALA 88 Cb 0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1mwb h ALA 88 CO 0.02 0.66 0.48 1.49 0.00 0.00 0.00 179.25 181.91 1mwb h GLU 89 N 1.01 1.05 -0.95 0.00 4.81 -0.30 -2.00 114.58 118.20 1mwb h GLU 89 Ca 0.19 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1mwb h GLU 89 Cb 0.50 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1mwb h GLU 89 CO 0.02 0.72 0.60 -0.44 -0.73 0.00 0.00 179.01 179.19 1mwb h ASP 90 N 1.07 1.11 -0.96 1.04 3.32 -1.12 -2.18 116.42 118.71 1mwb h ASP 90 Ca 0.28 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1mwb h ASP 90 Cb -0.07 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.16 1mwb h ASP 90 CO -0.06 0.83 0.61 0.25 -1.72 0.00 0.00 179.24 179.15 1mwb h LEU 91 N 1.30 1.12 -1.04 1.55 5.85 -1.23 -2.29 115.31 120.56 1mwb h LEU 91 Ca 0.34 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1mwb h LEU 91 Cb -0.11 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.59 1mwb h LEU 91 CO -0.07 0.83 0.62 -0.07 -0.34 0.00 0.00 178.44 179.41 1mwb h LEU 92 N 1.30 1.11 -0.93 2.25 3.38 -1.20 -2.30 115.31 118.91 1mwb h LEU 92 Ca 0.35 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1mwb h LEU 92 Cb -0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.33 1mwb h LEU 92 CO -0.07 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.47 1mwb h ALA 93 N 1.39 1.14 -0.80 1.53 0.00 -1.22 -2.73 119.26 118.57 1mwb h ALA 93 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 93 Cb -0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1mwb h ALA 93 CO -0.07 0.59 0.50 1.15 0.00 0.00 0.00 179.25 181.42 1mwb h THR 94 N 0.95 1.22 -0.53 0.00 2.02 -1.16 -2.34 112.91 113.07 1mwb h THR 94 Ca 0.21 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1mwb h THR 94 Cb 0.27 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1mwb h THR 94 CO -0.01 0.22 0.14 -0.07 0.37 0.00 0.00 175.52 176.17 1mwb h LEU 95 N 1.09 0.75 -1.13 2.58 3.38 -1.28 -2.62 115.31 118.07 1mwb h LEU 95 Ca 0.29 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1mwb h LEU 95 Cb -0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1mwb h LEU 95 CO -0.06 0.73 0.56 0.11 0.09 0.00 0.00 178.44 179.88 1mwb h LYS 96 N 0.78 1.14 -0.68 1.13 1.57 -1.17 -2.12 116.57 117.22 1mwb h LYS 96 Ca 0.17 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1mwb h LYS 96 Cb 0.28 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1mwb h LYS 96 CO -0.00 0.77 0.38 1.49 -0.57 0.00 0.00 179.45 181.51 1mwb h GLU 97 N 1.17 0.95 -0.16 3.15 4.81 -1.27 -2.05 114.58 121.18 1mwb h GLU 97 Ca 0.31 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1mwb h GLU 97 Cb -0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1mwb h GLU 97 CO -0.07 0.70 -0.14 0.52 -0.73 0.00 0.00 179.01 179.30 1mwb h MET 98 N 0.94 0.25 0.00 1.92 2.86 -1.36 -3.47 114.93 116.08 1mwb h MET 98 Ca 0.24 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1mwb h MET 98 Cb 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1mwb h MET 98 CO -0.04 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1mwb n GLY 99 N -0.83 0.93 3.76 8.32 0.00 -0.77 -5.06 105.19 111.54 1mwb n GLY 99 Ca -0.01 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1mwb n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwb n VAL 100 N -2.11 1.29 -1.51 1.61 0.31 -1.16 -4.88 118.33 111.88 1mwb n VAL 100 Ca 0.00 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 1mwb n VAL 100 Cb 0.00 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1mwb n VAL 100 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1mwb n PRO 101 N 1.70 0.82 0.10 5.55 -0.04 -1.26 -4.83 135.00 137.05 1mwb n PRO 101 Ca 0.06 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 63.86 1mwb n PRO 101 Cb 0.38 -1.65 0.46 0.00 -0.04 0.00 0.00 33.50 32.64 1mwb n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mwb h GLU 102 N 1.16 0.31 -0.81 0.54 5.08 -2.00 -2.56 114.58 116.30 1mwb h GLU 102 Ca -0.40 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1mwb h GLU 102 Cb 1.38 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1mwb h GLU 102 CO 0.54 0.29 0.48 -0.44 -1.00 0.00 0.00 179.01 178.89 1mwb h ASP 103 N 0.31 0.74 -0.22 1.42 3.32 -2.01 -2.04 116.42 117.93 1mwb h ASP 103 Ca 0.08 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1mwb h ASP 103 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1mwb h ASP 103 CO -0.00 0.47 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.54 1mwb h LEU 104 N 0.88 0.80 -0.86 1.55 3.38 -1.81 -2.86 115.31 116.38 1mwb h LEU 104 Ca 0.36 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1mwb h LEU 104 Cb 0.20 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1mwb h LEU 104 CO -0.18 1.08 0.48 0.40 0.09 0.00 0.00 178.44 180.31 1mwb h ILE 105 N 0.62 0.83 -0.41 1.22 2.04 -1.26 0.75 117.51 121.31 1mwb h ILE 105 Ca 0.06 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1mwb h ILE 105 Cb 0.92 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1mwb h ILE 105 CO 0.08 0.14 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 1mwb h ALA 106 N 1.51 0.56 -0.51 1.87 0.00 -1.39 -2.05 119.26 119.26 1mwb h ALA 106 Ca 0.44 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1mwb h ALA 106 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mwb h ALA 106 CO -0.30 0.42 -0.14 0.93 0.00 0.00 0.00 179.25 180.16 1mwb h GLU 107 N 0.59 0.97 -0.69 0.00 5.08 -0.93 -2.21 114.58 117.39 1mwb h GLU 107 Ca 0.11 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1mwb h GLU 107 Cb 0.60 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1mwb h GLU 107 CO 0.04 1.04 0.30 0.28 -1.00 0.00 0.00 179.01 179.67 1mwb h VAL 108 N 0.86 1.24 -0.18 3.13 2.07 0.54 -2.25 116.25 121.66 1mwb h VAL 108 Ca 0.13 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1mwb h VAL 108 Cb 0.69 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1mwb h VAL 108 CO 0.05 0.29 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 1mwb h ALA 109 N 1.14 1.32 -0.08 1.67 0.00 -1.23 -2.51 119.26 119.57 1mwb h ALA 109 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 109 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mwb h ALA 109 CO -0.02 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 1mwb h ALA 110 N 1.50 1.65 -0.20 0.00 0.00 -0.80 1.18 119.26 122.59 1mwb h ALA 110 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 110 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1mwb h ALA 110 CO 0.04 0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.84 1mwb h VAL 111 N 0.11 0.88 0.00 0.00 2.07 -1.19 -2.88 116.25 115.24 1mwb h VAL 111 Ca 0.02 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1mwb h VAL 111 Cb 0.30 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1mwb h VAL 111 CO 0.02 0.02 -1.42 0.00 0.02 0.00 0.00 177.57 176.21 1mwb n ALA 112 N -2.31 2.40 0.15 1.67 0.00 -1.08 -4.08 120.51 117.26 1mwb n ALA 112 Ca -0.02 -0.43 0.17 0.00 0.00 0.00 0.00 53.44 53.15 1mwb n ALA 112 Cb 0.10 -0.94 0.77 0.00 0.00 0.00 0.00 19.45 19.38 1mwb n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mwb h GLY 113 N 3.93 0.00 -5.96 0.00 0.00 0.16 -3.43 103.07 97.78 1mwb h GLY 113 Ca -0.07 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.57 1mwb h GLY 113 CO 0.01 0.00 0.87 0.00 0.00 0.00 0.00 176.54 177.42 1mwb n ALA 114 N -2.43 0.05 0.24 3.60 0.00 -1.10 -4.79 120.51 116.07 1mwb n ALA 114 Ca 0.04 0.39 0.15 0.00 0.00 0.00 0.00 53.44 54.01 1mwb n ALA 114 Cb 0.40 -2.28 0.80 0.00 0.00 0.00 0.00 19.45 18.37 1mwb n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mwb h PRO 115 N 7.18 0.00 -0.15 0.00 0.13 -1.95 -1.58 132.00 135.64 1mwb h PRO 115 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1mwb h PRO 115 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1mwb h PRO 115 CO 0.92 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.80 1mwb h ALA 116 N 1.83 2.13 0.12 -0.56 0.00 -1.86 -0.89 119.26 120.03 1mwb h ALA 116 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1mwb h ALA 116 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 116 CO 0.00 -0.19 -1.87 0.45 0.00 0.00 0.00 179.25 177.64 1mwb h HIS 117 N 0.00 0.48 -0.88 0.00 3.86 -1.53 -3.36 115.15 113.72 1mwb h HIS 117 Ca 0.07 -0.35 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 1mwb h HIS 117 Cb 0.29 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1mwb h HIS 117 CO 0.00 1.65 0.47 0.87 0.86 0.00 0.00 177.93 181.78 1mwb h LYS 118 N 0.07 1.23 -0.56 2.45 1.57 -1.47 -2.76 116.57 117.10 1mwb h LYS 118 Ca -0.38 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1mwb h LYS 118 Cb 2.05 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 34.09 1mwb h LYS 118 CO 0.11 0.90 0.37 0.07 -0.57 0.00 0.00 179.45 180.34 1mwb h ARG 119 N 1.23 0.74 -0.79 3.15 0.11 -1.35 0.86 114.38 118.34 1mwb h ARG 119 Ca 0.31 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.33 1mwb h ARG 119 Cb 0.04 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 30.92 1mwb h ARG 119 CO -0.05 0.49 0.46 -0.44 0.10 0.00 0.00 179.97 180.53 1mwb h ASP 120 N 0.76 0.96 0.16 0.08 3.32 -1.66 2.13 116.42 122.17 1mwb h ASP 120 Ca 0.21 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1mwb h ASP 120 Cb -0.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.22 1mwb h ASP 120 CO -0.04 0.76 -0.08 0.58 -1.72 0.00 0.00 179.24 178.74 1mwb h VAL 121 N 1.08 0.67 -0.26 -1.35 2.07 -1.17 -3.35 116.25 113.95 1mwb h VAL 121 Ca 0.28 -1.15 -0.14 0.00 0.82 0.00 0.00 66.70 66.52 1mwb h VAL 121 Cb -0.01 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1mwb h VAL 121 CO -0.05 0.19 -0.40 -0.07 0.02 0.00 0.00 177.57 177.26 1mwb h LEU 122 N -0.94 0.64 -1.33 2.57 3.38 0.75 -3.37 115.31 117.01 1mwb h LEU 122 Ca -0.02 -0.29 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 1mwb h LEU 122 Cb 0.47 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 41.07 1mwb h LEU 122 CO 0.04 0.97 -0.78 0.59 0.09 0.00 0.00 178.44 179.34 1mwb n ASN 123 N -4.03 -3.31 0.00 -0.43 3.02 0.72 -4.79 115.26 106.44 1mwb n ASN 123 Ca -0.02 -0.76 0.02 0.00 -0.03 0.00 0.00 54.58 53.79 1mwb n ASN 123 Cb 0.52 -4.14 0.11 0.00 -0.61 0.00 0.00 39.78 35.66 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64