#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 0.00 0.26 2.46 -2.24 -1.26 -3.98 114.28 109.52 1mwb n THR 3 Ca 0.00 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1mwb n THR 3 Cb 0.00 -0.32 0.38 0.00 -2.10 0.00 0.00 70.33 68.28 1mwb n THR 3 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1mwb h LEU 4 N 0.31 0.00 -1.75 3.22 -0.00 -2.05 0.68 115.31 115.71 1mwb h LEU 4 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1mwb h LEU 4 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1mwb h LEU 4 CO 0.00 0.00 -0.16 1.88 -0.00 0.00 0.00 178.44 180.16 1mwb h TYR 5 N 0.00 0.00 -0.51 0.17 0.05 -1.96 -2.54 116.97 112.19 1mwb h TYR 5 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1mwb h TYR 5 Cb 1.08 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 1mwb h TYR 5 CO 0.00 0.16 0.34 0.93 -1.05 0.00 0.00 178.16 178.53 1mwb h GLU 6 N 0.00 0.62 -0.79 4.88 5.08 0.07 -1.63 114.58 122.82 1mwb h GLU 6 Ca -0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1mwb h GLU 6 Cb 0.40 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1mwb h GLU 6 CO 0.02 0.41 0.52 0.87 -1.00 0.00 0.00 179.01 179.84 1mwb h LYS 7 N 0.64 0.98 -0.23 2.33 1.57 -1.63 -0.97 116.57 119.27 1mwb h LYS 7 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1mwb h LYS 7 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1mwb h LYS 7 CO -0.05 0.65 0.02 -0.07 -0.57 0.00 0.00 179.45 179.44 1mwb h LEU 8 N 1.01 0.31 0.00 2.94 3.38 -1.43 -3.45 115.31 118.07 1mwb h LEU 8 Ca 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1mwb h LEU 8 Cb -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1mwb h LEU 8 CO -0.08 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1mwb n GLY 9 N -1.14 0.65 0.00 0.83 0.00 -0.38 -5.00 105.19 100.14 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 0.21 0.31 -0.02 0.00 -1.11 -4.20 105.19 100.38 1mwb n GLY 10 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.18 -0.98 2.61 2.02 -1.93 -2.48 112.91 113.33 1mwb h THR 11 Ca 0.00 -0.52 0.13 0.00 0.77 0.00 0.00 66.41 66.79 1mwb h THR 11 Cb 0.00 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1mwb h THR 11 CO 0.00 0.21 0.60 0.74 0.37 0.00 0.00 175.52 177.44 1mwb h THR 12 N 0.72 0.86 -0.78 3.16 2.02 -1.96 -0.31 112.91 116.63 1mwb h THR 12 Ca 0.18 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1mwb h THR 12 Cb 0.10 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.35 1mwb h THR 12 CO -0.02 0.17 0.36 0.00 0.37 0.00 0.00 175.52 176.39 1mwb h ALA 13 N 1.55 1.00 -0.61 6.16 0.00 -1.61 -2.12 119.26 123.64 1mwb h ALA 13 Ca 0.50 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1mwb h ALA 13 Cb 0.57 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1mwb h ALA 13 CO -0.29 0.58 0.19 0.28 0.00 0.00 0.00 179.25 180.01 1mwb h VAL 14 N 1.10 1.24 -0.82 0.00 2.07 -1.12 -2.65 116.25 116.08 1mwb h VAL 14 Ca 0.26 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1mwb h VAL 14 Cb 0.14 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1mwb h VAL 14 CO -0.03 0.32 0.54 0.44 0.02 0.00 0.00 177.57 178.85 1mwb h ASP 15 N 0.87 0.95 -0.82 0.57 3.32 -0.88 -2.05 116.42 118.39 1mwb h ASP 15 Ca 0.20 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1mwb h ASP 15 Cb 0.29 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1mwb h ASP 15 CO -0.01 0.69 0.51 0.25 -1.72 0.00 0.00 179.24 178.96 1mwb h LEU 16 N 1.12 0.81 -0.66 1.55 6.46 -1.03 0.25 115.31 123.80 1mwb h LEU 16 Ca 0.30 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.99 1mwb h LEU 16 Cb -0.12 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1mwb h LEU 16 CO -0.06 0.53 0.08 0.00 -0.62 0.00 0.00 178.44 178.36 1mwb h ALA 17 N 1.37 0.88 -0.50 1.25 0.00 -1.27 -2.57 119.26 118.42 1mwb h ALA 17 Ca 0.35 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 17 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1mwb h ALA 17 CO -0.15 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.07 1mwb h VAL 18 N 1.03 1.26 -0.08 0.00 2.07 -0.87 -0.93 116.25 118.73 1mwb h VAL 18 Ca 0.20 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1mwb h VAL 18 Cb 0.48 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1mwb h VAL 18 CO 0.02 0.37 0.04 0.44 0.02 0.00 0.00 177.57 178.46 1mwb h ASP 19 N 0.74 0.06 -0.37 0.57 3.32 -0.84 0.18 116.42 120.08 1mwb h ASP 19 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1mwb h ASP 19 Cb 0.49 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1mwb h ASP 19 CO 0.02 0.05 0.09 0.50 -1.72 0.00 0.00 179.24 178.18 1mwb h LYS 20 N 0.09 0.60 -0.91 3.56 3.64 -1.42 -2.81 116.57 119.31 1mwb h LYS 20 Ca 0.03 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1mwb h LYS 20 Cb 0.00 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1mwb h LYS 20 CO -0.02 0.64 0.60 0.35 -2.27 0.00 0.00 179.45 178.75 1mwb h PHE 21 N 0.45 1.15 -0.46 1.91 3.57 -0.95 -2.12 116.94 120.49 1mwb h PHE 21 Ca 0.12 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1mwb h PHE 21 Cb 0.31 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1mwb h PHE 21 CO 0.02 0.73 0.16 -0.92 -2.23 0.00 0.00 178.31 176.07 1mwb h TYR 22 N 1.24 0.29 -0.37 0.41 5.03 -0.39 -2.27 116.97 120.91 1mwb h TYR 22 Ca 0.33 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.54 1mwb h TYR 22 Cb -0.14 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 1mwb h TYR 22 CO 0.00 0.10 -0.29 0.93 -1.32 0.00 0.00 178.16 177.58 1mwb h GLU 23 N 0.33 0.79 -0.85 1.82 4.39 -1.30 -3.02 114.58 116.74 1mwb h GLU 23 Ca 0.22 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.63 1mwb h GLU 23 Cb 0.22 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1mwb h GLU 23 CO -0.22 0.98 0.55 0.00 -1.16 0.00 0.00 179.01 179.16 1mwb h ARG 24 N 0.68 0.91 -0.15 2.33 2.47 -0.84 0.18 114.38 119.95 1mwb h ARG 24 Ca 0.08 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1mwb h ARG 24 Cb 0.82 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1mwb h ARG 24 CO 0.07 0.60 0.01 0.28 0.56 0.00 0.00 179.97 181.49 1mwb h VAL 25 N 0.94 1.24 -0.46 2.04 2.07 -1.32 -2.18 116.25 118.57 1mwb h VAL 25 Ca 0.37 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1mwb h VAL 25 Cb 0.23 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1mwb h VAL 25 CO -0.13 0.23 -0.23 -0.07 0.02 0.00 0.00 177.57 177.39 1mwb h LEU 26 N 0.01 0.98 -1.60 2.57 3.38 -1.38 -2.95 115.31 116.32 1mwb h LEU 26 Ca 0.04 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1mwb h LEU 26 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1mwb h LEU 26 CO 0.01 1.16 -0.06 1.56 0.09 0.00 0.00 178.44 181.19 1mwb h GLN 27 N 0.82 0.18 -6.10 1.13 1.08 -0.63 -3.39 115.11 108.20 1mwb h GLN 27 Ca 0.11 -0.03 -0.51 0.00 -1.45 0.00 0.00 58.65 56.77 1mwb h GLN 27 Cb 0.80 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 1mwb h GLN 27 CO 0.07 0.26 1.25 0.34 -0.95 0.00 0.00 178.83 179.79 1mwb s ASP 28 N -6.92 5.56 0.43 1.46 2.15 -0.83 -4.83 116.67 113.69 1mwb s ASP 28 Ca -0.05 0.05 0.12 0.00 0.43 0.00 0.00 52.55 53.10 1mwb s ASP 28 Cb 0.16 -2.54 0.92 0.00 -0.30 0.00 0.00 42.92 41.16 1mwb s ASP 28 CO 0.71 -2.21 1.98 -0.78 -0.17 0.00 0.00 175.17 174.71 1mwb h ASP 29 N 13.28 0.14 -1.00 -0.34 3.58 -1.85 0.27 116.42 130.49 1mwb h ASP 29 Ca -0.26 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.29 1mwb h ASP 29 Cb 1.12 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.05 1mwb h ASP 29 CO 1.24 0.26 0.63 0.03 -2.88 0.00 0.00 179.24 178.53 1mwb h ARG 30 N 0.15 0.97 -0.01 0.28 -0.00 -1.95 -2.72 114.38 111.10 1mwb h ARG 30 Ca 0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1mwb h ARG 30 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1mwb h ARG 30 CO 0.01 0.64 -0.18 0.44 0.00 0.00 0.00 179.97 180.88 1mwb n ILE 31 N -4.61 0.00 -0.12 2.04 -5.35 -1.08 -4.56 119.36 105.68 1mwb n ILE 31 Ca 0.19 -0.41 0.07 0.00 -0.27 0.00 0.00 62.75 62.33 1mwb n ILE 31 Cb 0.35 1.16 0.41 0.00 -1.74 0.00 0.00 39.64 39.81 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 1.46 0.60 -0.89 6.28 3.64 -0.61 -1.18 116.57 125.88 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 0.40 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 1mwb h LYS 32 CO 0.00 0.40 0.57 1.12 -2.27 0.00 0.00 179.45 179.27 1mwb h HIS 33 N 0.62 0.85 -0.68 1.91 2.07 -1.80 0.56 115.15 118.68 1mwb h HIS 33 Ca 0.27 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.77 1mwb h HIS 33 Cb 0.27 -0.27 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 1mwb h HIS 33 CO -0.00 0.33 0.25 0.74 -3.07 0.00 0.00 177.93 176.19 1mwb h PHE 34 N 0.74 1.02 -0.58 6.12 0.04 -1.54 -2.27 116.94 120.47 1mwb h PHE 34 Ca 0.44 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1mwb h PHE 34 Cb 0.64 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1mwb h PHE 34 CO -0.00 0.79 0.00 1.19 -0.60 0.00 0.00 178.31 179.69 1mwb n PHE 35 N -4.29 1.66 -0.29 -0.55 3.72 0.64 -4.52 117.46 113.83 1mwb n PHE 35 Ca 0.06 -0.61 0.11 0.00 -0.05 0.00 0.00 57.45 56.95 1mwb n PHE 35 Cb 0.19 -0.35 0.35 0.00 -0.94 0.00 0.00 39.48 38.72 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 3.99 1.76 -2.61 4.37 0.00 0.57 -3.32 119.26 124.01 1mwb h ALA 36 Ca 0.00 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 1mwb h ALA 36 Cb 1.61 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.87 1mwb h ALA 36 CO 0.33 -0.01 -0.85 -0.51 0.00 0.00 0.00 179.25 178.21 1mwb s ASP 37 N -5.74 2.83 -0.05 0.00 1.01 -1.26 -5.08 116.67 108.38 1mwb s ASP 37 Ca -0.10 -2.41 -0.05 0.00 0.71 0.00 0.00 52.55 50.70 1mwb s ASP 37 Cb 0.22 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.66 1mwb s ASP 37 CO 0.79 -0.28 0.14 -0.69 0.21 0.00 0.00 175.17 175.34 1mwb s VAL 38 N 0.78 -0.00 0.72 -1.27 1.01 -1.25 -5.16 120.40 115.22 1mwb s VAL 38 Ca 0.20 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1mwb s VAL 38 Cb -0.19 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1mwb s VAL 38 CO -0.03 0.01 1.09 1.51 0.00 0.00 0.00 175.10 177.67 1mwb s ASP 39 N 0.16 4.92 0.47 3.32 1.47 -1.26 -4.92 116.67 120.83 1mwb s ASP 39 Ca -0.01 1.82 0.12 0.00 1.18 0.00 0.00 52.55 55.66 1mwb s ASP 39 Cb -0.02 -2.52 1.07 0.00 -0.34 0.00 0.00 42.92 41.11 1mwb s ASP 39 CO -0.00 -1.75 2.08 0.24 0.68 0.00 0.00 175.17 176.42 1mwb h MET 40 N -0.67 0.19 0.25 2.11 2.86 -2.01 -2.83 114.93 114.83 1mwb h MET 40 Ca -0.45 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1mwb h MET 40 Cb 1.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1mwb h MET 40 CO 0.54 0.17 -0.29 0.00 1.06 0.00 0.00 176.91 178.38 1mwb h ALA 41 N 1.87 -0.58 -0.66 6.32 0.00 -2.00 0.51 119.26 124.72 1mwb h ALA 41 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 41 Cb 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1mwb h ALA 41 CO -0.01 -0.86 0.27 0.87 0.00 0.00 0.00 179.25 179.52 1mwb h LYS 42 N -0.58 0.96 -0.60 0.00 6.56 -1.91 -1.29 116.57 119.70 1mwb h LYS 42 Ca -0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1mwb h LYS 42 Cb 0.55 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 1mwb h LYS 42 CO -0.09 0.78 0.38 1.96 -2.06 0.00 0.00 179.45 180.41 1mwb h GLN 43 N 0.94 0.81 -0.32 3.15 1.08 -1.21 0.50 115.11 120.06 1mwb h GLN 43 Ca 0.22 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1mwb h GLN 43 Cb 0.17 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1mwb h GLN 43 CO -0.02 0.57 -0.08 -0.09 -0.95 0.00 0.00 178.83 178.26 1mwb h ARG 44 N 0.82 0.61 -0.17 1.46 2.43 -0.52 -2.28 114.38 116.72 1mwb h ARG 44 Ca 0.22 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1mwb h ARG 44 Cb -0.05 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1mwb h ARG 44 CO -0.04 0.79 -0.26 0.00 -1.51 0.00 0.00 179.97 178.95 1mwb h ALA 45 N 0.80 0.27 -0.03 2.80 0.00 -1.01 -1.90 119.26 120.18 1mwb h ALA 45 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mwb h ALA 45 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1mwb h ALA 45 CO 0.03 0.25 0.02 1.25 0.00 0.00 0.00 179.25 180.80 1mwb h HIS 46 N 0.13 0.04 -0.69 0.00 -0.00 -0.04 -1.75 115.15 112.84 1mwb h HIS 46 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 1mwb h HIS 46 Cb 0.83 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 1mwb h HIS 46 CO 0.09 0.05 0.14 1.96 -0.00 0.00 0.00 177.93 180.18 1mwb h GLN 47 N 0.02 1.11 -0.69 5.26 4.20 -1.48 -2.41 115.11 121.13 1mwb h GLN 47 Ca 0.01 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1mwb h GLN 47 Cb 0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1mwb h GLN 47 CO -0.00 1.00 0.44 -0.22 -0.67 0.00 0.00 178.83 179.37 1mwb h LYS 48 N 1.05 0.92 -0.63 1.46 3.64 -1.14 -0.54 116.57 121.34 1mwb h LYS 48 Ca 0.21 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1mwb h LYS 48 Cb 0.40 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1mwb h LYS 48 CO 0.01 0.64 0.13 0.00 -2.27 0.00 0.00 179.45 177.96 1mwb h ALA 49 N 1.23 0.83 -0.18 5.00 0.00 -1.15 -2.02 119.26 122.97 1mwb h ALA 49 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 49 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mwb h ALA 49 CO -0.05 0.56 0.06 0.35 0.00 0.00 0.00 179.25 180.17 1mwb h PHE 50 N 0.93 0.29 -0.38 0.00 3.57 -1.02 -1.12 116.94 119.22 1mwb h PHE 50 Ca 0.19 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1mwb h PHE 50 Cb 0.38 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1mwb h PHE 50 CO 0.03 0.38 0.23 1.25 -2.23 0.00 0.00 178.31 177.97 1mwb h LEU 51 N 0.12 0.38 -0.73 0.59 6.46 -1.02 -0.86 115.31 120.26 1mwb h LEU 51 Ca 0.06 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1mwb h LEU 51 Cb 0.22 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1mwb h LEU 51 CO -0.00 0.28 0.34 0.74 -0.62 0.00 0.00 178.44 179.17 1mwb h THR 52 N 0.47 1.24 -0.51 1.05 2.02 -1.30 -2.37 112.91 113.51 1mwb h THR 52 Ca 0.15 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1mwb h THR 52 Cb -0.01 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1mwb h THR 52 CO -0.06 0.29 0.23 0.22 0.37 0.00 0.00 175.52 176.56 1mwb h TYR 53 N 1.02 0.72 -0.42 3.16 3.20 -0.76 -2.52 116.97 121.37 1mwb h TYR 53 Ca 0.25 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 1mwb h TYR 53 Cb 0.14 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1mwb h TYR 53 CO 0.01 0.55 0.05 0.00 -1.64 0.00 0.00 178.16 177.13 1mwb h ALA 54 N 1.52 1.31 -0.21 1.82 0.00 -0.63 2.24 119.26 125.31 1mwb h ALA 54 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 54 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mwb h ALA 54 CO -0.02 0.48 0.00 1.19 0.00 0.00 0.00 179.25 180.90 1mwb n PHE 55 N -4.28 0.28 0.00 0.00 3.72 -0.96 -4.55 117.46 111.67 1mwb n PHE 55 Ca 0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1mwb n PHE 55 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1mwb n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mwb n GLY 56 N 0.98 -0.78 3.76 1.37 0.00 -0.86 -5.11 105.19 104.56 1mwb n GLY 56 Ca 0.12 0.29 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 2.97 0.46 -0.02 0.00 0.75 -4.79 107.32 106.69 1mwb s GLY 57 Ca 0.00 0.86 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 1mwb s GLY 57 CO 0.00 1.41 0.97 -0.51 0.00 0.00 0.00 173.10 174.97 1mwb s THR 58 N -1.30 4.33 0.23 0.90 -4.23 -1.26 -4.95 115.64 109.35 1mwb s THR 58 Ca 0.49 1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 62.29 1mwb s THR 58 Cb -0.29 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.14 1mwb s THR 58 CO 0.38 -0.40 1.84 0.44 -0.54 0.00 0.00 174.62 176.34 1mwb h ASP 59 N 1.60 1.12 -4.13 3.99 3.32 -1.95 -3.43 116.42 116.95 1mwb h ASP 59 Ca -0.49 -0.12 -0.37 0.00 0.02 0.00 0.00 57.03 56.08 1mwb h ASP 59 Cb 1.19 -0.29 -0.27 0.00 0.22 0.00 0.00 39.33 40.18 1mwb h ASP 59 CO 0.61 0.92 -0.77 -0.54 -1.72 0.00 0.00 179.24 177.74 1mwb s LYS 60 N -5.77 0.67 -0.06 3.56 1.02 -1.26 -4.83 119.74 113.07 1mwb s LYS 60 Ca -0.13 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1mwb s LYS 60 Cb 0.16 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1mwb s LYS 60 CO 0.83 0.16 -0.17 -0.47 -0.92 0.00 0.00 175.35 174.78 1mwb s TYR 61 N -0.41 1.80 -0.24 3.18 5.04 -1.26 -5.11 117.35 120.35 1mwb s TYR 61 Ca 0.01 -0.58 -0.22 0.00 -2.44 0.00 0.00 57.07 53.84 1mwb s TYR 61 Cb -0.04 -1.23 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 1mwb s TYR 61 CO -0.00 -0.22 0.73 0.16 -1.34 0.00 0.00 175.55 174.87 1mwb s ASP 62 N 0.20 6.72 0.00 4.32 1.47 -1.26 -4.79 116.67 123.34 1mwb s ASP 62 Ca -0.08 0.89 0.00 0.00 1.18 0.00 0.00 52.55 54.54 1mwb s ASP 62 Cb -0.13 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1mwb s ASP 62 CO 0.03 -0.42 0.00 0.61 0.68 0.00 0.00 175.17 176.07 1mwb n GLY 63 N 3.90 -0.54 0.01 2.12 0.00 -1.26 -4.98 105.19 104.43 1mwb n GLY 63 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1mwb n GLY 63 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mwb n ARG 64 N 0.00 0.00 -0.27 1.61 1.85 -1.26 -1.68 116.66 116.91 1mwb n ARG 64 Ca 0.00 0.28 0.06 0.00 -1.00 0.00 0.00 57.85 57.19 1mwb n ARG 64 Cb 0.00 -1.76 0.20 0.00 -1.05 0.00 0.00 32.46 29.85 1mwb n ARG 64 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1mwb h TYR 65 N 0.00 0.60 -0.66 2.89 5.03 -1.98 0.15 116.97 122.99 1mwb h TYR 65 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 1mwb h TYR 65 Cb 0.48 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 1mwb h TYR 65 CO 0.00 0.11 0.27 0.52 -1.32 0.00 0.00 178.16 177.74 1mwb h MET 66 N 0.51 0.99 -0.68 1.82 0.00 -1.74 -1.37 114.93 114.47 1mwb h MET 66 Ca 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 59.70 59.92 1mwb h MET 66 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 31.60 32.03 1mwb h MET 66 CO -0.38 0.82 0.30 -0.09 0.00 0.00 0.00 176.91 177.56 1mwb h ARG 67 N 0.94 0.99 -0.64 1.72 2.43 -1.18 0.20 114.38 118.84 1mwb h ARG 67 Ca 0.22 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1mwb h ARG 67 Cb 0.20 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1mwb h ARG 67 CO -0.02 0.81 0.14 0.93 -1.51 0.00 0.00 179.97 180.32 1mwb h GLU 68 N 0.95 1.03 0.15 0.20 4.39 -0.45 0.55 114.58 121.41 1mwb h GLU 68 Ca 0.23 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1mwb h GLU 68 Cb 0.17 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1mwb h GLU 68 CO -0.02 0.94 -0.07 0.00 -1.16 0.00 0.00 179.01 178.69 1mwb h ALA 69 N 1.05 -0.20 -0.81 3.43 0.00 -1.03 -3.18 119.26 118.52 1mwb h ALA 69 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 69 Cb 0.38 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1mwb h ALA 69 CO 0.00 -0.25 0.52 0.45 0.00 0.00 0.00 179.25 179.97 1mwb h HIS 70 N -0.93 1.04 -0.83 0.00 3.86 -0.67 -2.63 115.15 115.00 1mwb h HIS 70 Ca -0.02 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1mwb h HIS 70 Cb 0.49 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 1mwb h HIS 70 CO 0.08 0.67 0.38 1.57 0.86 0.00 0.00 177.93 181.49 1mwb h LYS 71 N 1.11 1.20 -0.72 2.45 2.10 -1.00 -1.80 116.57 119.91 1mwb h LYS 71 Ca 0.29 -0.19 0.08 0.00 -2.00 0.00 0.00 60.65 58.83 1mwb h LYS 71 Cb -0.09 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 30.98 1mwb h LYS 71 CO -0.06 0.94 0.48 0.93 -2.00 0.00 0.00 179.45 179.74 1mwb h GLU 72 N 1.18 0.68 -0.36 0.07 5.08 -1.44 0.76 114.58 120.55 1mwb h GLU 72 Ca 0.28 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1mwb h GLU 72 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1mwb h GLU 72 CO -0.03 0.45 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.30 1mwb h LEU 73 N 0.70 0.57 -0.30 1.33 3.38 -1.25 0.15 115.31 119.90 1mwb h LEU 73 Ca 0.32 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1mwb h LEU 73 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1mwb h LEU 73 CO -0.11 0.69 0.01 0.58 0.09 0.00 0.00 178.44 179.70 1mwb h VAL 74 N 0.56 1.25 0.01 1.22 2.07 -0.50 0.40 116.25 121.25 1mwb h VAL 74 Ca 0.11 -0.91 -0.25 0.00 0.82 0.00 0.00 66.70 66.48 1mwb h VAL 74 Cb 0.45 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1mwb h VAL 74 CO 0.02 0.29 -1.00 -0.33 0.02 0.00 0.00 177.57 176.57 1mwb h GLU 75 N 0.32 0.53 0.10 1.57 5.08 -1.21 -0.76 114.58 120.22 1mwb h GLU 75 Ca 0.09 -0.59 -0.17 0.00 -1.00 0.00 0.00 59.36 57.69 1mwb h GLU 75 Cb 0.41 0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1mwb h GLU 75 CO 0.01 1.21 -0.82 -0.91 -1.00 0.00 0.00 179.01 177.50 1mwb h ASN 76 N 0.30 0.32 0.00 1.42 2.35 -0.70 -3.39 115.58 115.88 1mwb h ASN 76 Ca -0.11 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.73 1mwb h ASN 76 Cb 1.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.92 1mwb h ASN 76 CO 0.18 1.38 -0.96 1.41 -1.65 0.00 0.00 177.43 177.78 1mwb n HIS 77 N -4.19 0.00 -2.74 1.19 8.25 0.14 -4.99 115.22 112.87 1mwb n HIS 77 Ca -0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 1mwb n HIS 77 Cb 0.76 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.87 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 1.45 0.62 3.72 -1.41 0.00 -0.30 -4.98 105.19 104.29 1mwb n GLY 78 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.42 4.37 0.00 0.99 2.96 -1.18 -4.97 118.68 118.44 1mwb s LEU 79 Ca 0.13 2.21 0.04 0.00 -0.22 0.00 0.00 54.13 56.30 1mwb s LEU 79 Cb -0.06 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1mwb s LEU 79 CO 0.16 -0.57 0.15 -0.46 -1.32 0.00 0.00 176.35 174.31 1mwb n ASN 80 N 3.83 1.24 0.08 3.68 6.94 -1.26 -4.61 115.26 125.16 1mwb n ASN 80 Ca 0.10 -3.22 0.13 0.00 -0.02 0.00 0.00 54.58 51.56 1mwb n ASN 80 Cb 0.44 1.06 0.61 0.00 -2.36 0.00 0.00 39.78 39.53 1mwb n ASN 80 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1mwb h GLY 81 N 1.67 0.16 0.87 4.83 0.00 -1.99 -1.74 103.07 106.86 1mwb h GLY 81 Ca -0.33 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1mwb h GLY 81 CO 0.51 0.04 0.53 0.83 0.00 0.00 0.00 176.54 178.45 1mwb h GLU 82 N 0.13 0.99 -0.50 4.80 5.08 -1.99 0.11 114.58 123.20 1mwb h GLU 82 Ca 0.15 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1mwb h GLU 82 Cb 0.46 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1mwb h GLU 82 CO -0.02 0.66 0.06 0.45 -1.00 0.00 0.00 179.01 179.15 1mwb h HIS 83 N 1.02 0.91 -0.58 4.33 3.86 -1.72 -2.46 115.15 120.51 1mwb h HIS 83 Ca 0.33 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1mwb h HIS 83 Cb 0.01 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1mwb h HIS 83 CO -0.03 0.84 0.36 0.35 0.86 0.00 0.00 177.93 180.31 1mwb h PHE 84 N 0.72 0.67 -0.57 2.45 3.57 -1.20 -1.88 116.94 120.69 1mwb h PHE 84 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1mwb h PHE 84 Cb 0.44 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1mwb h PHE 84 CO 0.03 0.39 0.36 0.22 -2.23 0.00 0.00 178.31 177.08 1mwb h ASP 85 N 0.71 0.67 -0.44 0.41 3.58 -0.81 -2.04 116.42 118.50 1mwb h ASP 85 Ca 0.23 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1mwb h ASP 85 Cb 0.00 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1mwb h ASP 85 CO -0.09 0.51 0.28 0.00 -2.88 0.00 0.00 179.24 177.05 1mwb h ALA 86 N 1.61 0.56 -0.28 -0.78 0.00 -0.87 1.10 119.26 120.60 1mwb h ALA 86 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 86 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mwb h ALA 86 CO -0.04 -0.03 0.01 0.28 0.00 0.00 0.00 179.25 179.47 1mwb h VAL 87 N 0.56 1.25 -0.63 0.00 2.07 -1.27 -2.23 116.25 116.00 1mwb h VAL 87 Ca 0.17 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1mwb h VAL 87 Cb -0.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1mwb h VAL 87 CO -0.06 0.29 0.08 0.00 0.02 0.00 0.00 177.57 177.89 1mwb h ALA 88 N 0.84 0.84 -0.83 1.67 0.00 -1.07 -2.65 119.26 118.06 1mwb h ALA 88 Ca 0.08 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1mwb h ALA 88 Cb 0.41 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1mwb h ALA 88 CO 0.01 0.62 0.54 1.49 0.00 0.00 0.00 179.25 181.92 1mwb h GLU 89 N 0.97 0.93 -0.85 0.00 4.81 0.14 -0.65 114.58 119.92 1mwb h GLU 89 Ca 0.19 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1mwb h GLU 89 Cb 0.47 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1mwb h GLU 89 CO 0.02 0.61 0.56 -0.44 -0.73 0.00 0.00 179.01 179.03 1mwb h ASP 90 N 0.95 0.99 -0.95 1.04 3.32 -1.04 -1.84 116.42 118.90 1mwb h ASP 90 Ca 0.35 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.39 1mwb h ASP 90 Cb 0.16 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1mwb h ASP 90 CO -0.12 0.72 0.63 0.25 -1.72 0.00 0.00 179.24 179.00 1mwb h LEU 91 N 1.16 1.07 -1.40 1.55 5.85 -1.02 -1.30 115.31 121.22 1mwb h LEU 91 Ca 0.31 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1mwb h LEU 91 Cb -0.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 1mwb h LEU 91 CO -0.07 0.75 0.25 -0.07 -0.34 0.00 0.00 178.44 178.97 1mwb h LEU 92 N 1.25 0.58 -0.86 2.25 -0.00 -1.14 -1.87 115.31 115.52 1mwb h LEU 92 Ca 0.36 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.22 1mwb h LEU 92 Cb -0.08 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.39 1mwb h LEU 92 CO -0.09 0.48 0.56 0.00 -0.00 0.00 0.00 178.44 179.39 1mwb h ALA 93 N 1.61 1.12 -0.20 1.53 0.00 -1.05 0.85 119.26 123.12 1mwb h ALA 93 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1mwb h ALA 93 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1mwb h ALA 93 CO -0.03 0.44 0.01 1.15 0.00 0.00 0.00 179.25 180.83 1mwb h THR 94 N 1.12 1.24 -0.52 0.00 2.02 -1.23 -0.06 112.91 115.48 1mwb h THR 94 Ca 0.33 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 1mwb h THR 94 Cb -0.05 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1mwb h THR 94 CO -0.10 0.25 -0.09 -0.07 0.37 0.00 0.00 175.52 175.88 1mwb h LEU 95 N 0.12 0.98 -0.71 2.58 3.38 -1.02 -2.75 115.31 117.89 1mwb h LEU 95 Ca 0.06 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1mwb h LEU 95 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1mwb h LEU 95 CO 0.01 1.09 0.28 0.50 0.09 0.00 0.00 178.44 180.41 1mwb h LYS 96 N 0.84 1.06 -0.95 1.13 3.64 0.80 -2.54 116.57 120.56 1mwb h LYS 96 Ca 0.13 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1mwb h LYS 96 Cb 0.65 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1mwb h LYS 96 CO 0.04 0.88 0.59 1.49 -2.27 0.00 0.00 179.45 180.18 1mwb h GLU 97 N 1.02 1.28 -0.18 1.90 4.57 -0.88 -1.42 114.58 120.87 1mwb h GLU 97 Ca 0.24 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1mwb h GLU 97 Cb 0.22 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1mwb h GLU 97 CO -0.02 0.88 -0.04 0.52 -1.18 0.00 0.00 179.01 179.18 1mwb h MET 98 N 1.30 0.27 0.00 1.92 2.86 -1.17 -3.46 114.93 116.65 1mwb h MET 98 Ca 0.34 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1mwb h MET 98 Cb -0.08 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1mwb h MET 98 CO -0.07 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.64 1mwb n GLY 99 N -1.08 0.81 3.76 8.32 0.00 -0.53 -5.05 105.19 111.41 1mwb n GLY 99 Ca -0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 2.16 0.46 1.61 1.01 -1.17 -4.91 120.40 117.56 1mwb s VAL 100 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1mwb s VAL 100 Cb 0.00 -3.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 1mwb s VAL 100 CO 0.00 0.02 0.85 -0.81 0.00 0.00 0.00 175.10 175.16 1mwb n PRO 101 N 1.85 1.02 0.02 2.72 -0.04 -1.26 -4.77 135.00 134.54 1mwb n PRO 101 Ca 0.06 0.37 0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1mwb n PRO 101 Cb 0.38 -1.90 0.40 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.10 0.50 -0.65 0.54 5.08 -1.98 -2.01 114.58 117.15 1mwb h GLU 102 Ca -0.44 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1mwb h GLU 102 Cb 1.36 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1mwb h GLU 102 CO 0.54 0.39 0.39 -0.44 -1.00 0.00 0.00 179.01 178.90 1mwb h ASP 103 N 0.50 0.63 -0.27 1.42 3.32 -2.00 0.32 116.42 120.35 1mwb h ASP 103 Ca 0.13 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1mwb h ASP 103 Cb 0.06 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1mwb h ASP 103 CO -0.02 0.43 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.44 1mwb h LEU 104 N 0.76 0.84 -1.17 1.55 -0.00 -1.79 -2.99 115.31 112.51 1mwb h LEU 104 Ca 0.27 -0.52 -0.04 0.00 -0.00 0.00 0.00 57.88 57.60 1mwb h LEU 104 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 1mwb h LEU 104 CO -0.12 1.19 0.16 0.40 -0.00 0.00 0.00 178.44 180.07 1mwb h ILE 105 N 0.51 1.20 -0.68 1.22 2.04 -0.90 -2.09 117.51 118.81 1mwb h ILE 105 Ca 0.02 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1mwb h ILE 105 Cb 1.02 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1mwb h ILE 105 CO 0.10 0.26 0.34 0.00 0.00 0.00 0.00 178.15 178.85 1mwb h ALA 106 N 1.45 0.88 -0.53 1.87 0.00 -0.30 -0.02 119.26 122.60 1mwb h ALA 106 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 106 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1mwb h ALA 106 CO -0.01 0.42 -0.05 0.93 0.00 0.00 0.00 179.25 180.54 1mwb h GLU 107 N 0.94 0.93 -0.39 0.00 5.08 -1.31 -0.93 114.58 118.90 1mwb h GLU 107 Ca 0.24 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1mwb h GLU 107 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1mwb h GLU 107 CO -0.03 0.96 0.03 0.28 -1.00 0.00 0.00 179.01 179.24 1mwb h VAL 108 N 0.85 1.25 -0.11 3.13 2.07 -0.97 -2.74 116.25 119.72 1mwb h VAL 108 Ca 0.15 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1mwb h VAL 108 Cb 0.57 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1mwb h VAL 108 CO 0.03 0.32 -0.26 0.00 0.02 0.00 0.00 177.57 177.68 1mwb h ALA 109 N 0.90 1.35 -0.66 1.67 0.00 -0.85 -2.68 119.26 118.99 1mwb h ALA 109 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1mwb h ALA 109 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mwb h ALA 109 CO 0.01 0.45 0.33 0.00 0.00 0.00 0.00 179.25 180.04 1mwb h ALA 110 N 1.55 1.34 -0.16 0.00 0.00 -0.88 2.18 119.26 123.29 1mwb h ALA 110 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 110 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 110 CO 0.04 0.52 0.07 0.28 0.00 0.00 0.00 179.25 180.16 1mwb h VAL 111 N 0.92 1.15 0.00 0.00 2.07 -1.28 -2.85 116.25 116.26 1mwb h VAL 111 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1mwb h VAL 111 Cb 0.08 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1mwb h VAL 111 CO -0.03 0.14 -0.44 0.00 0.02 0.00 0.00 177.57 177.26 1mwb h ALA 112 N 0.91 0.74 0.00 1.67 0.00 -1.46 -3.26 119.26 117.87 1mwb h ALA 112 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 112 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 1.25 -0.97 3.43 0.00 0.00 0.73 -4.86 105.19 104.78 1mwb n GLY 113 Ca 0.03 -0.07 -0.50 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.69 0.92 0.15 4.61 0.00 -1.15 -4.80 120.51 119.55 1mwb n ALA 114 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1mwb n ALA 114 Cb 0.04 -2.51 0.46 0.00 0.00 0.00 0.00 19.45 17.44 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 12.38 0.18 -0.21 0.00 0.11 -1.91 -2.12 132.00 140.43 1mwb h PRO 115 Ca -0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1mwb h PRO 115 Cb 1.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1mwb h PRO 115 CO 1.06 0.27 -0.08 0.00 -0.21 0.00 0.00 178.00 179.03 1mwb h ALA 116 N 1.76 1.47 -0.53 -0.75 0.00 -1.98 -2.36 119.26 116.86 1mwb h ALA 116 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 116 Cb 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1mwb h ALA 116 CO 0.01 0.37 0.35 1.25 0.00 0.00 0.00 179.25 181.24 1mwb h HIS 117 N 0.32 0.57 -0.72 0.00 6.17 -1.70 -1.57 115.15 118.22 1mwb h HIS 117 Ca 0.07 0.01 0.13 0.00 0.71 0.00 0.00 60.37 61.29 1mwb h HIS 117 Cb 0.35 -0.19 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 1mwb h HIS 117 CO 0.01 0.33 0.48 0.87 0.71 0.00 0.00 177.93 180.33 1mwb h LYS 118 N 0.59 0.43 -0.69 5.26 1.57 -1.51 -0.91 116.57 121.31 1mwb h LYS 118 Ca 0.22 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1mwb h LYS 118 Cb 0.12 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1mwb h LYS 118 CO -0.06 0.28 0.37 -0.09 -0.57 0.00 0.00 179.45 179.38 1mwb h ARG 119 N 0.44 0.63 -0.43 3.15 2.43 -1.41 0.76 114.38 119.95 1mwb h ARG 119 Ca 0.35 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1mwb h ARG 119 Cb 0.74 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1mwb h ARG 119 CO -0.11 0.42 -0.21 0.22 -1.51 0.00 0.00 179.97 178.78 1mwb h ASP 120 N 0.65 0.87 0.00 -3.80 3.58 -1.30 -0.85 116.42 115.58 1mwb h ASP 120 Ca 0.32 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1mwb h ASP 120 Cb 0.27 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1mwb h ASP 120 CO -0.22 1.05 -0.00 0.58 -2.88 0.00 0.00 179.24 177.77 1mwb h VAL 121 N 0.75 0.00 -0.68 2.25 2.07 -0.93 -3.40 116.25 116.31 1mwb h VAL 121 Ca 0.10 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1mwb h VAL 121 Cb 0.74 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1mwb h VAL 121 CO 0.06 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.95 1mwb h LEU 122 N -0.14 0.85 0.00 2.57 4.07 0.34 -3.37 115.31 119.63 1mwb h LEU 122 Ca -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1mwb h LEU 122 Cb 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1mwb h LEU 122 CO 0.00 0.70 0.00 0.59 -1.08 0.00 0.00 178.44 178.65 1mwb n ASN 123 N -4.51 0.00 0.00 -0.43 3.02 -0.32 -4.85 115.26 108.17 1mwb n ASN 123 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1mwb n ASN 123 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64