#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwb h THR 3 N 0.00 1.06 -0.96 6.66 2.02 -2.03 -1.66 112.91 118.00 1mwb h THR 3 Ca 0.00 -0.28 0.09 0.00 0.77 0.00 0.00 66.41 67.00 1mwb h THR 3 Cb 0.00 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 1mwb h THR 3 CO 0.00 0.15 0.62 -0.07 0.37 0.00 0.00 175.52 176.58 1mwb h LEU 4 N 0.81 0.92 -1.57 2.58 3.38 -2.04 0.13 115.31 119.53 1mwb h LEU 4 Ca 0.30 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1mwb h LEU 4 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1mwb h LEU 4 CO -0.09 0.55 0.00 1.88 0.09 0.00 0.00 178.44 180.86 1mwb h TYR 5 N 1.02 0.00 -0.87 1.13 0.05 -1.68 -2.99 116.97 113.62 1mwb h TYR 5 Ca 0.44 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.42 1mwb h TYR 5 Cb 0.34 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.02 1mwb h TYR 5 CO -0.00 0.00 0.58 1.49 -1.05 0.00 0.00 178.16 179.18 1mwb h GLU 6 N 0.00 0.36 -0.99 4.88 4.81 -0.66 0.16 114.58 123.14 1mwb h GLU 6 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1mwb h GLU 6 Cb 0.46 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1mwb h GLU 6 CO 0.00 0.24 0.65 -0.22 -0.73 0.00 0.00 179.01 178.94 1mwb h LYS 7 N 0.37 1.19 -0.24 1.92 3.64 -1.65 -0.93 116.57 120.87 1mwb h LYS 7 Ca 0.45 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1mwb h LYS 7 Cb 1.17 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1mwb h LYS 7 CO -0.15 0.79 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.59 1mwb h LEU 8 N 1.23 0.39 0.00 5.20 -0.00 -0.89 -3.45 115.31 117.78 1mwb h LEU 8 Ca 0.40 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1mwb h LEU 8 Cb 0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1mwb h LEU 8 CO -0.14 0.57 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 1mwb n GLY 9 N -0.66 0.64 0.00 0.83 0.00 -0.36 -4.89 105.19 100.76 1mwb n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.67 0.35 -0.02 0.00 -1.16 -3.92 105.19 101.10 1mwb n GLY 10 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1mwb h THR 11 N 0.00 1.25 -0.43 2.61 2.02 -1.86 -2.38 112.91 114.12 1mwb h THR 11 Ca 0.00 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1mwb h THR 11 Cb 0.00 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1mwb h THR 11 CO 0.00 0.29 0.02 0.71 0.37 0.00 0.00 175.52 176.91 1mwb h THR 12 N 1.15 1.22 -0.70 3.16 1.35 -1.97 -2.47 112.91 114.64 1mwb h THR 12 Ca 0.28 -0.88 -0.07 0.00 -0.55 0.00 0.00 66.41 65.19 1mwb h THR 12 Cb 0.09 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 1mwb h THR 12 CO -0.04 0.31 0.17 0.00 -0.25 0.00 0.00 175.52 175.71 1mwb h ALA 13 N 1.38 0.96 -0.48 6.62 0.00 -1.55 -2.17 119.26 124.02 1mwb h ALA 13 Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1mwb h ALA 13 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 13 CO 0.01 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.35 1mwb h VAL 14 N 1.07 1.23 -0.77 0.00 2.07 -1.18 -2.75 116.25 115.92 1mwb h VAL 14 Ca 0.22 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1mwb h VAL 14 Cb 0.38 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1mwb h VAL 14 CO 0.00 0.28 0.46 0.44 0.02 0.00 0.00 177.57 178.78 1mwb h ASP 15 N 0.64 0.93 -0.71 0.57 3.32 -1.24 -1.92 116.42 118.01 1mwb h ASP 15 Ca 0.15 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.20 1mwb h ASP 15 Cb 0.28 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1mwb h ASP 15 CO -0.00 0.71 0.42 0.25 -1.72 0.00 0.00 179.24 178.90 1mwb h LEU 16 N 1.06 0.65 -0.29 1.55 6.46 -1.10 0.49 115.31 124.14 1mwb h LEU 16 Ca 0.28 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 1mwb h LEU 16 Cb -0.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1mwb h LEU 16 CO -0.05 0.43 -0.19 0.00 -0.62 0.00 0.00 178.44 178.01 1mwb h ALA 17 N 1.35 0.42 -0.45 1.25 0.00 -1.30 -2.37 119.26 118.15 1mwb h ALA 17 Ca 0.31 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 17 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1mwb h ALA 17 CO -0.16 0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.70 1mwb h VAL 18 N 0.39 1.26 0.18 0.00 2.07 -0.87 -0.23 116.25 119.05 1mwb h VAL 18 Ca 0.06 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1mwb h VAL 18 Cb 0.73 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1mwb h VAL 18 CO 0.05 0.37 -0.09 0.44 0.02 0.00 0.00 177.57 178.36 1mwb h ASP 19 N 0.65 -0.21 -0.01 0.57 3.32 -0.04 -0.66 116.42 120.05 1mwb h ASP 19 Ca 0.13 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1mwb h ASP 19 Cb 0.52 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1mwb h ASP 19 CO 0.03 -0.06 0.00 0.11 -1.72 0.00 0.00 179.24 177.60 1mwb h LYS 20 N -0.35 0.02 -0.89 3.56 1.79 -1.44 -2.72 116.57 116.53 1mwb h LYS 20 Ca -0.03 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1mwb h LYS 20 Cb 0.27 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.84 1mwb h LYS 20 CO 0.04 0.25 0.53 0.35 -1.08 0.00 0.00 179.45 179.54 1mwb h PHE 21 N -0.21 0.96 -0.68 -1.35 3.57 -1.03 -1.19 116.94 117.00 1mwb h PHE 21 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1mwb h PHE 21 Cb 0.24 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1mwb h PHE 21 CO 0.00 0.38 0.45 -0.92 -2.23 0.00 0.00 178.31 175.99 1mwb h TYR 22 N 0.86 0.85 -0.48 0.41 3.20 -0.99 -2.52 116.97 118.31 1mwb h TYR 22 Ca 0.44 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.24 1mwb h TYR 22 Cb 0.42 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1mwb h TYR 22 CO -0.04 0.53 -0.05 0.93 -1.64 0.00 0.00 178.16 177.89 1mwb h GLU 23 N 0.91 0.83 -0.75 1.82 5.08 -0.94 -2.87 114.58 118.65 1mwb h GLU 23 Ca 0.25 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1mwb h GLU 23 Cb -0.09 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1mwb h GLU 23 CO -0.06 0.86 0.49 0.00 -1.00 0.00 0.00 179.01 179.30 1mwb h ARG 24 N 0.76 1.00 -0.09 2.33 3.08 -0.88 0.22 114.38 120.80 1mwb h ARG 24 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1mwb h ARG 24 Cb 0.53 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1mwb h ARG 24 CO 0.03 0.67 0.03 0.28 -1.07 0.00 0.00 179.97 179.91 1mwb h VAL 25 N 1.03 1.16 -0.42 2.04 2.07 -1.27 -0.70 116.25 120.15 1mwb h VAL 25 Ca 0.28 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1mwb h VAL 25 Cb -0.11 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1mwb h VAL 25 CO -0.06 0.14 -0.18 -0.07 0.02 0.00 0.00 177.57 177.43 1mwb h LEU 26 N -0.03 0.81 -1.39 2.57 3.38 -1.40 -2.73 115.31 116.53 1mwb h LEU 26 Ca 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1mwb h LEU 26 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1mwb h LEU 26 CO -0.00 0.98 0.20 -0.61 0.09 0.00 0.00 178.44 179.10 1mwb h GLN 27 N 0.72 0.61 -6.32 1.13 4.15 -0.38 -3.38 115.11 111.63 1mwb h GLN 27 Ca 0.11 -0.07 -0.54 0.00 0.77 0.00 0.00 58.65 58.92 1mwb h GLN 27 Cb 0.69 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 1mwb h GLN 27 CO 0.05 0.49 1.10 0.34 -1.93 0.00 0.00 178.83 178.88 1mwb s ASP 28 N -6.66 6.04 0.45 -0.69 2.15 -0.29 -4.85 116.67 112.82 1mwb s ASP 28 Ca -0.08 -0.23 0.10 0.00 0.43 0.00 0.00 52.55 52.77 1mwb s ASP 28 Cb 0.17 -2.55 1.01 0.00 -0.30 0.00 0.00 42.92 41.24 1mwb s ASP 28 CO 0.75 -1.89 2.08 -0.78 -0.17 0.00 0.00 175.17 175.17 1mwb h ASP 29 N 10.84 0.31 -0.57 -0.34 3.58 -1.82 0.48 116.42 128.90 1mwb h ASP 29 Ca -0.27 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.26 1mwb h ASP 29 Cb 1.07 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 1mwb h ASP 29 CO 1.26 0.22 0.17 -0.09 -2.88 0.00 0.00 179.24 177.92 1mwb h ARG 30 N 0.36 0.32 -0.02 0.28 2.43 -1.92 -2.67 114.38 113.16 1mwb h ARG 30 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1mwb h ARG 30 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1mwb h ARG 30 CO -0.02 0.21 -0.24 0.44 -1.51 0.00 0.00 179.97 178.84 1mwb n ILE 31 N -5.05 0.00 -0.05 1.20 -5.35 -1.05 -4.45 119.36 104.61 1mwb n ILE 31 Ca 0.08 -0.38 0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1mwb n ILE 31 Cb 0.27 1.28 0.46 0.00 -1.74 0.00 0.00 39.64 39.91 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 2.66 0.49 -0.79 6.28 3.64 -0.53 -1.51 116.57 126.81 1mwb h LYS 32 Ca 0.00 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1mwb h LYS 32 Cb 0.69 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 1mwb h LYS 32 CO 0.00 0.32 0.52 1.12 -2.27 0.00 0.00 179.45 179.14 1mwb h HIS 33 N 0.50 0.74 -0.68 1.91 2.07 -1.78 0.37 115.15 118.28 1mwb h HIS 33 Ca 0.22 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.73 1mwb h HIS 33 Cb 0.25 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 29.96 1mwb h HIS 33 CO -0.00 0.33 0.28 0.74 -3.07 0.00 0.00 177.93 176.21 1mwb h PHE 34 N 0.68 1.00 -0.64 6.12 0.04 -1.59 -2.24 116.94 120.30 1mwb h PHE 34 Ca 0.37 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1mwb h PHE 34 Cb 0.53 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1mwb h PHE 34 CO -0.00 0.76 0.00 1.19 -0.60 0.00 0.00 178.31 179.66 1mwb n PHE 35 N -4.31 1.09 -0.30 -0.55 3.72 0.11 -4.44 117.46 112.77 1mwb n PHE 35 Ca 0.06 -0.49 0.06 0.00 -0.05 0.00 0.00 57.45 57.03 1mwb n PHE 35 Cb 0.17 -0.09 0.27 0.00 -0.94 0.00 0.00 39.48 38.89 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 4.15 1.58 -2.61 4.37 0.00 0.26 -3.33 119.26 123.69 1mwb h ALA 36 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 1.08 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.26 1mwb h ALA 36 CO 0.09 0.24 -0.85 -0.51 0.00 0.00 0.00 179.25 178.21 1mwb s ASP 37 N -5.91 2.82 -0.13 0.00 1.01 -1.26 -5.09 116.67 108.11 1mwb s ASP 37 Ca -0.11 -2.42 -0.11 0.00 0.71 0.00 0.00 52.55 50.62 1mwb s ASP 37 Cb 0.21 -0.51 0.04 0.00 1.01 0.00 0.00 42.92 43.67 1mwb s ASP 37 CO 0.80 -0.28 0.33 -0.69 0.21 0.00 0.00 175.17 175.55 1mwb s VAL 38 N 0.76 -0.01 0.28 -1.27 1.01 -1.25 -5.13 120.40 114.79 1mwb s VAL 38 Ca 0.21 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1mwb s VAL 38 Cb -0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 1mwb s VAL 38 CO -0.03 0.01 1.32 1.51 0.00 0.00 0.00 175.10 177.91 1mwb s ASP 39 N 0.40 6.80 0.48 3.32 1.47 -1.26 -4.90 116.67 122.98 1mwb s ASP 39 Ca -0.02 2.59 0.15 0.00 1.18 0.00 0.00 52.55 56.46 1mwb s ASP 39 Cb -0.04 -2.63 1.14 0.00 -0.34 0.00 0.00 42.92 41.05 1mwb s ASP 39 CO -0.02 -0.55 2.07 0.24 0.68 0.00 0.00 175.17 177.60 1mwb h MET 40 N 4.21 0.21 -0.07 2.11 2.86 -2.00 -2.76 114.93 119.49 1mwb h MET 40 Ca -0.47 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.19 1mwb h MET 40 Cb 1.22 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 1mwb h MET 40 CO 0.71 0.14 -0.18 0.00 1.06 0.00 0.00 176.91 178.63 1mwb h ALA 41 N 1.84 -0.17 -0.70 6.32 0.00 -2.01 -0.88 119.26 123.66 1mwb h ALA 41 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 41 Cb 0.25 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1mwb h ALA 41 CO -0.02 -0.66 0.25 0.87 0.00 0.00 0.00 179.25 179.69 1mwb h LYS 42 N -0.26 1.05 -0.88 0.00 1.57 -1.89 -2.66 116.57 113.49 1mwb h LYS 42 Ca 0.08 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1mwb h LYS 42 Cb 0.37 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1mwb h LYS 42 CO -0.22 0.87 0.58 1.96 -0.57 0.00 0.00 179.45 182.07 1mwb h GLN 43 N 1.02 1.14 -0.81 3.15 4.20 -1.26 0.14 115.11 122.68 1mwb h GLN 43 Ca 0.23 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.93 1mwb h GLN 43 Cb 0.24 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1mwb h GLN 43 CO -0.01 0.75 0.50 -0.09 -0.67 0.00 0.00 178.83 179.31 1mwb h ARG 44 N 1.17 0.90 0.03 1.46 2.43 -0.82 0.22 114.38 119.78 1mwb h ARG 44 Ca 0.33 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1mwb h ARG 44 Cb -0.10 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1mwb h ARG 44 CO -0.08 0.59 -0.54 0.00 -1.51 0.00 0.00 179.97 178.44 1mwb h ALA 45 N 1.38 0.02 0.03 2.80 0.00 -1.37 -2.51 119.26 119.61 1mwb h ALA 45 Ca 0.35 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mwb h ALA 45 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1mwb h ALA 45 CO -0.16 0.28 -0.01 1.25 0.00 0.00 0.00 179.25 180.60 1mwb h HIS 46 N -0.30 -0.03 -0.65 0.00 -0.00 -0.51 0.15 115.15 113.81 1mwb h HIS 46 Ca -0.08 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 1mwb h HIS 46 Cb 1.30 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.69 1mwb h HIS 46 CO 0.17 -0.02 0.24 1.96 -0.00 0.00 0.00 177.93 180.28 1mwb h GLN 47 N -0.04 0.98 -0.61 5.26 1.08 -0.70 -1.82 115.11 119.27 1mwb h GLN 47 Ca -0.00 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 1mwb h GLN 47 Cb 0.03 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1mwb h GLN 47 CO 0.01 0.84 0.22 -0.22 -0.95 0.00 0.00 178.83 178.73 1mwb h LYS 48 N 0.92 0.93 -0.62 1.46 3.64 -1.21 -2.66 116.57 119.02 1mwb h LYS 48 Ca 0.21 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1mwb h LYS 48 Cb 0.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1mwb h LYS 48 CO -0.01 0.81 0.19 0.00 -2.27 0.00 0.00 179.45 178.17 1mwb h ALA 49 N 1.08 1.17 -0.27 5.00 0.00 -0.46 -2.04 119.26 123.74 1mwb h ALA 49 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 49 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 49 CO -0.01 0.58 0.18 0.35 0.00 0.00 0.00 179.25 180.34 1mwb h PHE 50 N 0.92 0.34 -0.64 0.00 3.57 -1.02 -0.45 116.94 119.65 1mwb h PHE 50 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1mwb h PHE 50 Cb 0.26 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1mwb h PHE 50 CO 0.02 0.21 0.28 1.25 -2.23 0.00 0.00 178.31 177.84 1mwb h LEU 51 N 0.36 0.86 -0.67 0.59 6.46 -1.25 -1.53 115.31 120.13 1mwb h LEU 51 Ca 0.10 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1mwb h LEU 51 Cb -0.04 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1mwb h LEU 51 CO -0.02 0.77 0.37 0.74 -0.62 0.00 0.00 178.44 179.68 1mwb h THR 52 N 0.89 1.21 -0.71 1.05 2.02 -1.05 -0.56 112.91 115.76 1mwb h THR 52 Ca 0.22 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1mwb h THR 52 Cb 0.17 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1mwb h THR 52 CO -0.02 0.23 0.22 0.22 0.37 0.00 0.00 175.52 176.54 1mwb h TYR 53 N 0.92 1.14 -0.20 3.16 3.20 -0.78 -2.71 116.97 121.69 1mwb h TYR 53 Ca 0.24 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1mwb h TYR 53 Cb 0.04 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1mwb h TYR 53 CO -0.01 0.91 -0.40 0.00 -1.64 0.00 0.00 178.16 177.02 1mwb h ALA 54 N 1.10 0.93 -0.03 1.82 0.00 -0.93 2.26 119.26 124.41 1mwb h ALA 54 Ca 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1mwb h ALA 54 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mwb h ALA 54 CO -0.01 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.06 1mwb n PHE 55 N -4.03 0.03 0.00 0.00 3.01 -0.25 -4.49 117.46 111.73 1mwb n PHE 55 Ca -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1mwb n PHE 55 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1mwb n PHE 55 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mwb n GLY 56 N 0.73 -1.69 3.76 1.37 0.00 -0.99 -5.05 105.19 103.32 1mwb n GLY 56 Ca 0.09 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 1mwb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mwb s GLY 57 N 0.00 2.55 0.70 -0.02 0.00 0.76 -4.72 107.32 106.58 1mwb s GLY 57 Ca 0.00 1.50 -0.09 0.00 0.00 0.00 0.00 44.72 46.13 1mwb s GLY 57 CO 0.00 2.33 1.05 -0.51 0.00 0.00 0.00 173.10 175.97 1mwb s THR 58 N -0.54 3.08 0.60 0.90 -4.23 -1.26 -5.02 115.64 109.17 1mwb s THR 58 Ca 0.57 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 1mwb s THR 58 Cb -0.45 -3.32 0.15 0.00 1.34 0.00 0.00 72.50 70.22 1mwb s THR 58 CO 0.53 -0.38 0.35 -0.90 -0.54 0.00 0.00 174.62 173.68 1mwb n ASP 59 N -2.94 -2.88 -4.53 3.99 5.68 -1.26 -4.78 116.55 109.83 1mwb n ASP 59 Ca 0.07 -0.35 -0.53 0.00 -0.50 0.00 0.00 54.79 53.48 1mwb n ASP 59 Cb 0.58 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 1mwb n ASP 59 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1mwb n LYS 60 N -3.50 0.60 -4.64 0.11 2.85 -1.26 -4.94 118.16 107.38 1mwb n LYS 60 Ca 0.06 0.22 -0.33 0.00 -1.05 0.00 0.00 58.31 57.20 1mwb n LYS 60 Cb 0.24 -1.67 -0.14 0.00 -0.65 0.00 0.00 35.03 32.81 1mwb n LYS 60 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1mwb s TYR 61 N -0.12 2.87 -0.39 5.58 5.04 -1.26 -5.08 117.35 123.98 1mwb s TYR 61 Ca 0.80 -0.58 -0.26 0.00 -2.44 0.00 0.00 57.07 54.59 1mwb s TYR 61 Cb -1.02 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 39.42 1mwb s TYR 61 CO 0.53 -0.19 0.92 0.34 -1.34 0.00 0.00 175.55 175.82 1mwb s ASP 62 N 0.41 6.63 -0.42 4.32 2.15 -1.26 -4.91 116.67 123.59 1mwb s ASP 62 Ca -0.08 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1mwb s ASP 62 Cb -0.15 -2.46 0.20 0.00 -0.30 0.00 0.00 42.92 40.20 1mwb s ASP 62 CO 0.04 -0.90 0.90 -0.83 -0.17 0.00 0.00 175.17 174.21 1mwb s GLY 63 N 1.97 -1.55 0.48 2.66 0.00 -1.26 -5.00 107.32 104.63 1mwb s GLY 63 Ca 0.38 0.18 0.23 0.00 0.00 0.00 0.00 44.72 45.50 1mwb s GLY 63 CO 0.21 3.98 1.93 3.21 0.00 0.00 0.00 173.10 182.42 1mwb h ARG 64 N 4.87 0.18 -0.73 2.90 3.08 -2.00 0.62 114.38 123.30 1mwb h ARG 64 Ca 0.03 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1mwb h ARG 64 Cb 1.15 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 1mwb h ARG 64 CO -0.04 0.12 0.44 -0.92 -1.07 0.00 0.00 179.97 178.50 1mwb h TYR 65 N 0.18 0.81 -0.36 3.04 3.20 -1.98 0.31 116.97 122.18 1mwb h TYR 65 Ca 0.35 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1mwb h TYR 65 Cb 1.13 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1mwb h TYR 65 CO -0.00 0.42 0.19 0.52 -1.64 0.00 0.00 178.16 177.64 1mwb h MET 66 N 0.82 0.51 -0.54 1.82 2.86 -1.29 -0.00 114.93 119.11 1mwb h MET 66 Ca 0.32 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1mwb h MET 66 Cb 0.13 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1mwb h MET 66 CO -0.16 0.44 0.07 -0.09 1.06 0.00 0.00 176.91 178.23 1mwb h ARG 67 N 0.45 0.92 -0.78 1.72 2.43 -1.29 -0.64 114.38 117.18 1mwb h ARG 67 Ca 0.13 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1mwb h ARG 67 Cb 0.09 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1mwb h ARG 67 CO -0.02 0.90 0.31 1.49 -1.51 0.00 0.00 179.97 181.14 1mwb h GLU 68 N 0.80 1.17 0.26 0.20 4.81 -0.11 -0.10 114.58 121.61 1mwb h GLU 68 Ca 0.16 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1mwb h GLU 68 Cb 0.44 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1mwb h GLU 68 CO 0.01 0.95 -0.13 0.00 -0.73 0.00 0.00 179.01 179.11 1mwb h ALA 69 N 1.20 -0.36 -0.98 2.92 0.00 -0.84 -3.04 119.26 118.16 1mwb h ALA 69 Ca 0.26 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1mwb h ALA 69 Cb 0.21 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 69 CO -0.02 -0.34 0.64 0.45 0.00 0.00 0.00 179.25 179.97 1mwb h HIS 70 N -1.07 1.19 -0.52 0.00 3.86 -1.18 -1.83 115.15 115.61 1mwb h HIS 70 Ca -0.04 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1mwb h HIS 70 Cb 0.35 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1mwb h HIS 70 CO 0.02 0.68 0.17 1.57 0.86 0.00 0.00 177.93 181.23 1mwb h LYS 71 N 1.22 0.77 -0.86 2.45 2.10 -1.13 -1.46 116.57 119.66 1mwb h LYS 71 Ca 0.39 -0.13 0.12 0.00 -2.00 0.00 0.00 60.65 59.04 1mwb h LYS 71 Cb 0.02 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.16 1mwb h LYS 71 CO -0.13 0.66 0.56 1.49 -2.00 0.00 0.00 179.45 180.03 1mwb h GLU 72 N 0.76 0.70 -0.40 0.07 4.57 -1.20 0.14 114.58 119.22 1mwb h GLU 72 Ca 0.18 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1mwb h GLU 72 Cb 0.21 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1mwb h GLU 72 CO -0.01 0.46 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.17 1mwb h LEU 73 N 0.72 0.63 -1.63 1.64 3.38 -1.17 0.24 115.31 119.11 1mwb h LEU 73 Ca 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1mwb h LEU 73 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1mwb h LEU 73 CO -0.18 0.72 0.03 0.58 0.09 0.00 0.00 178.44 179.68 1mwb h VAL 74 N 0.61 1.10 0.00 1.22 2.07 -0.55 1.08 116.25 121.78 1mwb h VAL 74 Ca 0.12 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1mwb h VAL 74 Cb 0.45 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1mwb h VAL 74 CO 0.02 0.13 -0.88 -0.62 0.02 0.00 0.00 177.57 176.24 1mwb n GLU 75 N -4.41 0.51 -0.15 1.57 -0.58 -0.99 -3.17 120.64 113.42 1mwb n GLU 75 Ca -0.00 0.28 -0.09 0.00 -0.42 0.00 0.00 57.16 56.93 1mwb n GLU 75 Cb 0.15 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1mwb n GLU 75 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1mwb h ASN 76 N -0.99 0.61 0.13 1.62 -0.26 -0.66 -3.24 115.58 112.78 1mwb h ASN 76 Ca 0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1mwb h ASN 76 Cb 0.88 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1mwb h ASN 76 CO 0.00 0.63 -1.57 1.41 -1.06 0.00 0.00 177.43 176.84 1mwb n HIS 77 N -4.60 0.11 -2.44 1.19 8.25 -0.32 -5.01 115.22 112.40 1mwb n HIS 77 Ca 0.00 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1mwb n HIS 77 Cb 0.17 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 1.32 0.49 3.72 -1.41 0.00 0.35 -4.95 105.19 104.72 1mwb n GLY 78 Ca -0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.43 4.43 0.39 0.99 2.96 0.09 -4.90 118.68 120.22 1mwb s LEU 79 Ca 0.04 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.80 1mwb s LEU 79 Cb -0.02 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1mwb s LEU 79 CO 0.12 -0.21 0.13 0.54 -1.32 0.00 0.00 176.35 175.61 1mwb s ASN 80 N 0.49 2.60 0.43 3.68 4.22 -1.26 -4.35 114.94 120.76 1mwb s ASN 80 Ca 0.51 -1.63 0.13 0.00 -2.14 0.00 0.00 52.86 49.73 1mwb s ASN 80 Cb -0.24 0.42 1.02 0.00 1.28 0.00 0.00 41.25 43.73 1mwb s ASN 80 CO 0.30 -0.89 1.99 1.23 -2.04 0.00 0.00 177.10 177.69 1mwb h GLY 81 N 1.87 0.55 0.61 0.45 0.00 -1.98 -1.46 103.07 103.11 1mwb h GLY 81 Ca -0.36 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 46.89 1mwb h GLY 81 CO 0.58 0.11 0.58 -2.09 0.00 0.00 0.00 176.54 175.72 1mwb h GLU 82 N 0.41 0.97 -0.32 4.80 4.81 -1.99 0.75 114.58 124.01 1mwb h GLU 82 Ca 0.25 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1mwb h GLU 82 Cb 0.46 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1mwb h GLU 82 CO -0.07 0.64 0.09 0.45 -0.73 0.00 0.00 179.01 179.40 1mwb h HIS 83 N 1.00 0.51 -0.38 0.92 3.86 -1.67 -1.76 115.15 117.63 1mwb h HIS 83 Ca 0.43 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1mwb h HIS 83 Cb 0.30 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1mwb h HIS 83 CO -0.02 0.53 0.22 0.35 0.86 0.00 0.00 177.93 179.87 1mwb h PHE 84 N 0.35 0.51 -0.77 2.45 3.57 -1.25 -2.37 116.94 119.43 1mwb h PHE 84 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 84 Cb 0.26 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1mwb h PHE 84 CO 0.01 0.37 0.51 0.22 -2.23 0.00 0.00 178.31 177.19 1mwb h ASP 85 N 0.50 0.83 -0.48 0.41 3.58 -0.76 -1.23 116.42 119.27 1mwb h ASP 85 Ca 0.14 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1mwb h ASP 85 Cb 0.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1mwb h ASP 85 CO -0.02 0.58 0.23 0.00 -2.88 0.00 0.00 179.24 177.15 1mwb h ALA 86 N 1.54 0.62 -0.43 -0.78 0.00 -0.82 0.17 119.26 119.56 1mwb h ALA 86 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1mwb h ALA 86 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1mwb h ALA 86 CO -0.08 0.18 0.01 0.28 0.00 0.00 0.00 179.25 179.63 1mwb h VAL 87 N 0.63 1.26 -0.68 0.00 2.07 -1.00 -2.42 116.25 116.12 1mwb h VAL 87 Ca 0.16 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1mwb h VAL 87 Cb 0.11 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1mwb h VAL 87 CO -0.02 0.35 0.12 0.00 0.02 0.00 0.00 177.57 178.04 1mwb h ALA 88 N 0.90 0.93 -0.77 1.67 0.00 -1.03 -2.70 119.26 118.26 1mwb h ALA 88 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1mwb h ALA 88 Cb 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1mwb h ALA 88 CO 0.02 0.67 0.46 1.49 0.00 0.00 0.00 179.25 181.89 1mwb h GLU 89 N 1.04 1.05 -0.97 0.00 4.22 -0.52 -2.08 114.58 117.32 1mwb h GLU 89 Ca 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1mwb h GLU 89 Cb 0.42 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1mwb h GLU 89 CO 0.01 0.74 0.62 -0.44 -2.18 0.00 0.00 179.01 177.75 1mwb h ASP 90 N 1.07 1.13 -0.91 1.04 3.32 -1.11 -2.12 116.42 118.85 1mwb h ASP 90 Ca 0.28 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mwb h ASP 90 Cb -0.04 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 1mwb h ASP 90 CO -0.05 0.84 0.56 0.25 -1.72 0.00 0.00 179.24 179.12 1mwb h LEU 91 N 1.32 1.08 -1.13 1.55 5.85 -1.24 -2.16 115.31 120.57 1mwb h LEU 91 Ca 0.35 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1mwb h LEU 91 Cb -0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 1mwb h LEU 91 CO -0.07 0.82 0.23 -0.07 -0.34 0.00 0.00 178.44 179.00 1mwb h LEU 92 N 1.24 0.76 -0.92 2.25 3.38 -1.18 -2.58 115.31 118.27 1mwb h LEU 92 Ca 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1mwb h LEU 92 Cb -0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1mwb h LEU 92 CO -0.06 0.69 0.56 0.00 0.09 0.00 0.00 178.44 179.71 1mwb h ALA 93 N 1.42 1.17 -0.76 1.53 0.00 -1.01 -2.32 119.26 119.31 1mwb h ALA 93 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1mwb h ALA 93 Cb 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1mwb h ALA 93 CO -0.02 0.63 0.40 1.15 0.00 0.00 0.00 179.25 181.41 1mwb h THR 94 N 1.27 1.23 -0.64 0.00 2.02 -1.28 -2.48 112.91 113.03 1mwb h THR 94 Ca 0.33 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1mwb h THR 94 Cb -0.06 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1mwb h THR 94 CO -0.06 0.26 0.23 -0.07 0.37 0.00 0.00 175.52 176.25 1mwb h LEU 95 N 1.05 0.87 -0.89 2.58 3.38 -1.30 -2.52 115.31 118.47 1mwb h LEU 95 Ca 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1mwb h LEU 95 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1mwb h LEU 95 CO -0.04 0.80 0.47 0.11 0.09 0.00 0.00 178.44 179.87 1mwb h LYS 96 N 0.93 1.26 -0.63 1.13 1.57 -0.99 -2.18 116.57 117.65 1mwb h LYS 96 Ca 0.21 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1mwb h LYS 96 Cb 0.21 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1mwb h LYS 96 CO -0.02 0.93 0.20 0.93 -0.57 0.00 0.00 179.45 180.92 1mwb h GLU 97 N 1.26 0.96 -0.17 3.15 5.08 -1.15 -1.96 114.58 121.76 1mwb h GLU 97 Ca 0.31 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1mwb h GLU 97 Cb 0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1mwb h GLU 97 CO -0.05 0.82 -0.03 0.52 -1.00 0.00 0.00 179.01 179.27 1mwb h MET 98 N 0.93 0.25 0.00 2.33 2.86 -1.06 -3.46 114.93 116.78 1mwb h MET 98 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1mwb h MET 98 Cb 0.26 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1mwb h MET 98 CO -0.01 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.67 1mwb n GLY 99 N -1.11 0.83 3.75 8.32 0.00 -0.74 -5.05 105.19 111.20 1mwb n GLY 99 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1mwb n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mwb s VAL 100 N -2.00 2.72 0.46 1.61 1.01 -1.17 -4.93 120.40 118.10 1mwb s VAL 100 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 1mwb s VAL 100 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 1mwb s VAL 100 CO 0.00 0.10 0.86 -0.81 0.00 0.00 0.00 175.10 175.25 1mwb n PRO 101 N 2.21 1.03 0.01 2.72 -0.04 -1.26 -4.82 135.00 134.85 1mwb n PRO 101 Ca 0.06 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.92 1mwb n PRO 101 Cb 0.41 -1.91 0.39 0.00 -0.04 0.00 0.00 33.50 32.35 1mwb n PRO 101 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1mwb h GLU 102 N 1.10 0.50 -0.76 0.54 4.57 -1.99 -2.52 114.58 116.03 1mwb h GLU 102 Ca -0.44 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.76 1mwb h GLU 102 Cb 1.36 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.78 1mwb h GLU 102 CO 0.54 0.41 0.42 0.22 -1.18 0.00 0.00 179.01 179.42 1mwb h ASP 103 N 0.51 0.60 -0.44 1.04 3.58 -2.00 -0.58 116.42 119.12 1mwb h ASP 103 Ca 0.13 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 1mwb h ASP 103 Cb 0.08 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1mwb h ASP 103 CO -0.02 0.36 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.41 1mwb h LEU 104 N 0.73 0.98 -1.27 2.28 -0.00 -1.81 -2.88 115.31 113.34 1mwb h LEU 104 Ca 0.36 -0.37 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1mwb h LEU 104 Cb 0.31 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 1mwb h LEU 104 CO -0.23 1.15 0.27 0.40 -0.00 0.00 0.00 178.44 180.03 1mwb h ILE 105 N 0.83 1.18 -0.66 1.22 2.04 -1.13 -1.72 117.51 119.27 1mwb h ILE 105 Ca 0.11 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1mwb h ILE 105 Cb 0.79 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1mwb h ILE 105 CO 0.07 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.78 1mwb h ALA 106 N 1.52 0.85 -0.44 1.87 0.00 -0.93 -0.69 119.26 121.44 1mwb h ALA 106 Ca 0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 106 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1mwb h ALA 106 CO -0.03 0.38 -0.12 0.93 0.00 0.00 0.00 179.25 180.42 1mwb h GLU 107 N 0.91 0.79 -0.52 0.00 5.08 -1.30 -1.99 114.58 117.55 1mwb h GLU 107 Ca 0.23 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1mwb h GLU 107 Cb 0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1mwb h GLU 107 CO -0.04 0.87 0.10 0.28 -1.00 0.00 0.00 179.01 179.23 1mwb h VAL 108 N 0.71 1.25 -0.34 3.13 2.07 -0.84 -2.69 116.25 119.53 1mwb h VAL 108 Ca 0.12 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1mwb h VAL 108 Cb 0.60 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1mwb h VAL 108 CO 0.04 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 177.87 1mwb h ALA 109 N 0.99 1.21 -0.45 1.67 0.00 -0.96 -2.61 119.26 119.11 1mwb h ALA 109 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1mwb h ALA 109 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1mwb h ALA 109 CO 0.01 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1mwb h ALA 110 N 1.37 1.39 -0.21 0.00 0.00 -1.06 0.63 119.26 121.38 1mwb h ALA 110 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 110 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1mwb h ALA 110 CO 0.03 0.45 0.11 0.28 0.00 0.00 0.00 179.25 180.11 1mwb h VAL 111 N 0.65 1.12 0.00 0.00 2.07 -1.16 -2.57 116.25 116.37 1mwb h VAL 111 Ca 0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1mwb h VAL 111 Cb 0.21 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1mwb h VAL 111 CO -0.01 0.12 -0.18 0.00 0.02 0.00 0.00 177.57 177.52 1mwb h ALA 112 N 0.98 0.89 0.00 1.67 0.00 -1.44 -3.24 119.26 118.12 1mwb h ALA 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 112 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mwb h ALA 112 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1mwb n GLY 113 N 1.26 -0.71 3.42 0.00 0.00 0.22 -4.83 105.19 104.56 1mwb n GLY 113 Ca 0.04 -0.05 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 1mwb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwb n ALA 114 N -0.67 0.93 -0.04 4.61 0.00 -1.22 -4.81 120.51 119.31 1mwb n ALA 114 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1mwb n ALA 114 Cb 0.03 -2.50 0.34 0.00 0.00 0.00 0.00 19.45 17.31 1mwb n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mwb h PRO 115 N 12.24 0.61 -0.30 0.00 0.11 -1.93 -2.55 132.00 140.19 1mwb h PRO 115 Ca -0.24 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1mwb h PRO 115 Cb 1.33 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1mwb h PRO 115 CO 1.05 0.50 0.07 0.00 -0.21 0.00 0.00 178.00 179.41 1mwb h ALA 116 N 1.60 0.39 -0.80 -0.75 0.00 -1.99 -2.78 119.26 114.93 1mwb h ALA 116 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 116 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1mwb h ALA 116 CO -0.02 0.05 0.53 0.45 0.00 0.00 0.00 179.25 180.26 1mwb h HIS 117 N 0.32 1.00 -0.74 0.00 3.86 -1.88 -1.89 115.15 115.82 1mwb h HIS 117 Ca 0.09 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 1mwb h HIS 117 Cb 0.29 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1mwb h HIS 117 CO 0.01 0.63 0.49 0.87 0.86 0.00 0.00 177.93 180.79 1mwb h LYS 118 N 1.08 0.85 -0.91 2.45 1.79 -1.19 -1.93 116.57 118.71 1mwb h LYS 118 Ca 0.29 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.74 1mwb h LYS 118 Cb -0.12 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.28 1mwb h LYS 118 CO -0.06 0.56 0.59 0.00 -1.08 0.00 0.00 179.45 179.46 1mwb h ARG 119 N 0.87 1.11 -0.79 3.15 3.08 -1.15 0.12 114.38 120.76 1mwb h ARG 119 Ca 0.30 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1mwb h ARG 119 Cb 0.10 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1mwb h ARG 119 CO -0.09 0.73 0.44 -0.44 -1.07 0.00 0.00 179.97 179.55 1mwb h ASP 120 N 1.14 0.98 0.09 7.04 3.32 -1.36 0.83 116.42 128.46 1mwb h ASP 120 Ca 0.36 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1mwb h ASP 120 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1mwb h ASP 120 CO -0.12 0.78 -0.04 0.58 -1.72 0.00 0.00 179.24 178.72 1mwb h VAL 121 N 1.10 0.00 -0.58 -1.35 2.07 -1.19 -3.38 116.25 112.93 1mwb h VAL 121 Ca 0.28 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1mwb h VAL 121 Cb 0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1mwb h VAL 121 CO -0.05 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.42 1mwb h LEU 122 N -0.48 1.04 -1.68 2.57 3.38 -0.88 -3.35 115.31 115.91 1mwb h LEU 122 Ca -0.01 -0.32 -0.42 0.00 0.09 0.00 0.00 57.88 57.23 1mwb h LEU 122 Cb 0.10 -0.28 0.06 0.00 0.09 0.00 0.00 40.66 40.62 1mwb h LEU 122 CO 0.02 1.11 -0.82 0.59 0.09 0.00 0.00 178.44 179.44 1mwb n ASN 123 N -4.16 -1.67 0.00 -0.43 3.02 0.29 -4.86 115.26 107.45 1mwb n ASN 123 Ca 0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1mwb n ASN 123 Cb 0.37 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64