#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 0.62 -0.29 0.44 1.35 -2.06 -2.86 112.91 110.12 1mwb h THR 3 Ca 0.00 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 1mwb h THR 3 Cb 0.00 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1mwb h THR 3 CO 0.00 0.23 0.11 0.17 -0.25 0.00 0.00 175.52 175.78 1mwb h LEU 4 N 0.00 0.35 -1.45 3.87 8.10 -2.04 -1.74 115.31 122.40 1mwb h LEU 4 Ca -0.00 -0.03 0.01 0.00 0.11 0.00 0.00 57.88 57.97 1mwb h LEU 4 Cb 0.68 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 1mwb h LEU 4 CO 0.03 0.33 0.38 1.88 -4.11 0.00 0.00 178.44 176.94 1mwb h TYR 5 N 0.40 0.71 -0.58 0.17 -1.99 -1.89 -1.70 116.97 112.10 1mwb h TYR 5 Ca 0.10 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1mwb h TYR 5 Cb 0.09 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 1mwb h TYR 5 CO 0.00 0.44 0.17 0.93 -0.00 0.00 0.00 178.16 179.71 1mwb h GLU 6 N 0.76 0.87 -0.93 4.88 5.08 -1.46 -2.05 114.58 121.74 1mwb h GLU 6 Ca 0.21 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1mwb h GLU 6 Cb -0.08 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1mwb h GLU 6 CO -0.05 0.76 0.60 -0.22 -1.00 0.00 0.00 179.01 179.11 1mwb h LYS 7 N 0.85 1.23 -0.06 2.33 3.64 -1.30 -1.33 116.57 121.92 1mwb h LYS 7 Ca 0.19 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1mwb h LYS 7 Cb 0.26 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1mwb h LYS 7 CO -0.01 0.83 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.83 1mwb h LEU 8 N 1.27 0.09 0.00 5.20 3.38 -1.31 -3.45 115.31 120.48 1mwb h LEU 8 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1mwb h LEU 8 Cb -0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1mwb h LEU 8 CO -0.07 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1mwb n GLY 9 N -1.13 0.70 0.00 0.83 0.00 -0.52 -4.91 105.19 100.16 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 0.00 -0.49 0.33 -0.02 0.00 -0.81 -3.75 105.19 100.46 1mwb n GLY 10 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 1.20 -0.50 2.61 2.02 -1.94 -2.15 112.91 114.16 1mwb h THR 11 Ca 0.00 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1mwb h THR 11 Cb 0.00 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1mwb h THR 11 CO 0.00 0.23 0.19 0.71 0.37 0.00 0.00 175.52 177.02 1mwb h THR 12 N 0.93 1.19 -0.53 3.16 1.35 -1.95 -1.50 112.91 115.56 1mwb h THR 12 Ca 0.24 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.46 1mwb h THR 12 Cb 0.04 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1mwb h THR 12 CO -0.04 0.23 0.16 0.00 -0.25 0.00 0.00 175.52 175.63 1mwb h ALA 13 N 1.50 0.69 -0.44 6.62 0.00 -1.48 -0.41 119.26 125.76 1mwb h ALA 13 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 13 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mwb h ALA 13 CO -0.02 0.36 0.07 0.28 0.00 0.00 0.00 179.25 179.95 1mwb h VAL 14 N 0.73 1.24 -0.58 0.00 2.07 -1.28 -2.69 116.25 115.74 1mwb h VAL 14 Ca 0.17 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1mwb h VAL 14 Cb 0.28 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1mwb h VAL 14 CO -0.00 0.31 0.26 0.44 0.02 0.00 0.00 177.57 178.59 1mwb h ASP 15 N 0.58 0.75 -0.91 0.57 3.32 -1.09 -2.31 116.42 117.33 1mwb h ASP 15 Ca 0.13 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1mwb h ASP 15 Cb 0.37 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1mwb h ASP 15 CO 0.01 0.66 0.56 0.25 -1.72 0.00 0.00 179.24 179.00 1mwb h LEU 16 N 0.83 0.86 -0.62 1.55 5.85 -0.74 -0.26 115.31 122.78 1mwb h LEU 16 Ca 0.20 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1mwb h LEU 16 Cb 0.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1mwb h LEU 16 CO -0.02 0.52 0.06 0.00 -0.34 0.00 0.00 178.44 178.66 1mwb h ALA 17 N 1.46 0.83 -0.53 1.25 0.00 -1.28 -2.77 119.26 118.21 1mwb h ALA 17 Ca 0.42 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 17 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1mwb h ALA 17 CO -0.21 0.62 0.04 0.28 0.00 0.00 0.00 179.25 179.98 1mwb h VAL 18 N 0.96 1.26 -0.19 0.00 2.07 -1.10 -1.14 116.25 118.10 1mwb h VAL 18 Ca 0.18 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1mwb h VAL 18 Cb 0.48 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1mwb h VAL 18 CO 0.02 0.37 0.05 -0.78 0.02 0.00 0.00 177.57 177.25 1mwb h ASP 19 N 0.79 0.05 -0.20 0.57 3.58 -0.96 0.09 116.42 120.33 1mwb h ASP 19 Ca 0.16 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1mwb h ASP 19 Cb 0.47 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1mwb h ASP 19 CO 0.02 0.05 0.03 0.11 -2.88 0.00 0.00 179.24 176.57 1mwb h LYS 20 N 0.14 0.34 -0.63 0.28 1.57 -1.44 -2.72 116.57 114.11 1mwb h LYS 20 Ca 0.09 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1mwb h LYS 20 Cb 0.07 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1mwb h LYS 20 CO -0.10 0.51 0.32 0.35 -0.57 0.00 0.00 179.45 179.95 1mwb h PHE 21 N 0.13 0.57 -0.67 -1.35 3.57 -0.98 -1.81 116.94 116.40 1mwb h PHE 21 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1mwb h PHE 21 Cb 0.33 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1mwb h PHE 21 CO 0.02 0.24 0.31 -0.92 -2.23 0.00 0.00 178.31 175.74 1mwb h TYR 22 N 0.58 0.97 -0.65 0.41 3.20 -0.91 -2.80 116.97 117.76 1mwb h TYR 22 Ca 0.30 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1mwb h TYR 22 Cb 0.25 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1mwb h TYR 22 CO -0.11 0.73 0.10 0.93 -1.64 0.00 0.00 178.16 178.18 1mwb h GLU 23 N 0.93 1.06 -0.60 1.82 5.08 -1.11 -2.88 114.58 118.89 1mwb h GLU 23 Ca 0.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1mwb h GLU 23 Cb 0.13 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1mwb h GLU 23 CO -0.03 0.98 0.30 0.00 -1.00 0.00 0.00 179.01 179.25 1mwb h ARG 24 N 1.00 0.84 -0.41 2.33 3.08 -1.15 -2.49 114.38 117.59 1mwb h ARG 24 Ca 0.20 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1mwb h ARG 24 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1mwb h ARG 24 CO 0.01 0.65 0.20 0.28 -1.07 0.00 0.00 179.97 180.04 1mwb h VAL 25 N 0.85 1.17 -0.42 2.04 2.07 -1.28 -1.75 116.25 118.93 1mwb h VAL 25 Ca 0.21 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1mwb h VAL 25 Cb 0.08 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1mwb h VAL 25 CO -0.03 0.19 0.01 -0.07 0.02 0.00 0.00 177.57 177.69 1mwb h LEU 26 N 0.52 0.63 -0.24 2.57 3.38 -1.44 -2.07 115.31 118.65 1mwb h LEU 26 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mwb h LEU 26 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1mwb h LEU 26 CO -0.02 0.69 -0.00 0.00 0.09 0.00 0.00 178.44 179.20 1mwb n GLN 27 N -4.25 1.15 -2.79 1.13 1.13 -0.96 -4.74 117.38 108.05 1mwb n GLN 27 Ca 0.02 -0.24 -0.43 0.00 -1.94 0.00 0.00 57.00 54.41 1mwb n GLN 27 Cb 0.26 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1mwb n GLN 27 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1mwb s ASP 28 N -2.02 6.41 0.24 1.08 2.15 -0.69 -4.90 116.67 118.94 1mwb s ASP 28 Ca 0.45 -0.13 -0.07 0.00 0.43 0.00 0.00 52.55 53.22 1mwb s ASP 28 Cb 0.22 -2.46 0.23 0.00 -0.30 0.00 0.00 42.92 40.61 1mwb s ASP 28 CO 0.37 -1.22 1.91 0.44 -0.17 0.00 0.00 175.17 176.49 1mwb h ASP 29 N 9.29 1.10 -0.92 -0.34 3.32 -1.86 -1.08 116.42 125.92 1mwb h ASP 29 Ca -0.25 -0.04 0.16 0.00 0.02 0.00 0.00 57.03 56.92 1mwb h ASP 29 Cb 1.07 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1mwb h ASP 29 CO 1.09 0.81 0.59 0.03 -1.72 0.00 0.00 179.24 180.04 1mwb h ARG 30 N 1.29 0.68 -0.11 3.56 3.08 -1.96 -2.51 114.38 118.40 1mwb h ARG 30 Ca 0.35 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1mwb h ARG 30 Cb -0.13 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1mwb h ARG 30 CO -0.07 0.45 0.00 0.44 -1.07 0.00 0.00 179.97 179.72 1mwb n ILE 31 N -4.59 1.64 -0.32 2.04 -5.35 -1.08 -4.73 119.36 106.97 1mwb n ILE 31 Ca 0.19 -1.68 0.04 0.00 -0.27 0.00 0.00 62.75 61.03 1mwb n ILE 31 Cb 0.50 0.04 0.19 0.00 -1.74 0.00 0.00 39.64 38.64 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 0.74 0.84 -0.89 6.28 3.64 -0.73 -1.07 116.57 125.38 1mwb h LYS 32 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1mwb h LYS 32 Cb 0.95 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1mwb h LYS 32 CO 0.05 0.56 0.55 1.12 -2.27 0.00 0.00 179.45 179.46 1mwb h HIS 33 N 0.87 1.17 -0.69 1.91 2.07 -1.85 0.67 115.15 119.31 1mwb h HIS 33 Ca 0.43 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.91 1mwb h HIS 33 Cb 0.40 -0.38 -0.03 0.00 2.57 0.00 0.00 27.41 29.96 1mwb h HIS 33 CO -0.04 0.77 0.24 0.74 -3.07 0.00 0.00 177.93 176.57 1mwb h PHE 34 N 1.22 1.05 -0.55 6.12 0.04 -1.58 -2.54 116.94 120.70 1mwb h PHE 34 Ca 0.32 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1mwb h PHE 34 Cb -0.07 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.77 1mwb h PHE 34 CO -0.00 0.82 0.00 1.19 -0.60 0.00 0.00 178.31 179.72 1mwb n PHE 35 N -4.28 1.99 0.02 -0.55 3.01 -0.65 -4.49 117.46 112.51 1mwb n PHE 35 Ca 0.06 -0.74 0.03 0.00 1.01 0.00 0.00 57.45 57.80 1mwb n PHE 35 Cb 0.20 -0.49 0.39 0.00 -0.01 0.00 0.00 39.48 39.57 1mwb n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mwb h ALA 36 N 3.82 1.60 -3.42 4.37 0.00 0.78 -3.35 119.26 123.07 1mwb h ALA 36 Ca 0.00 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.18 1mwb h ALA 36 Cb 1.94 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 19.18 1mwb h ALA 36 CO 0.47 0.32 -0.71 -0.51 0.00 0.00 0.00 179.25 178.82 1mwb s ASP 37 N -6.73 4.36 -0.03 0.00 1.01 -1.26 -5.08 116.67 108.94 1mwb s ASP 37 Ca -0.08 -2.32 0.07 0.00 0.71 0.00 0.00 52.55 50.93 1mwb s ASP 37 Cb 0.17 -1.40 -0.02 0.00 1.01 0.00 0.00 42.92 42.68 1mwb s ASP 37 CO 0.74 -0.34 -0.23 -0.69 0.21 0.00 0.00 175.17 174.86 1mwb s VAL 38 N 0.69 1.84 0.15 -1.27 1.01 -1.26 -5.13 120.40 116.43 1mwb s VAL 38 Ca 0.13 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1mwb s VAL 38 Cb -0.21 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1mwb s VAL 38 CO -0.08 0.52 0.03 1.51 0.00 0.00 0.00 175.10 177.08 1mwb s ASP 39 N -0.42 5.01 0.38 3.32 1.47 -1.26 -5.02 116.67 120.15 1mwb s ASP 39 Ca 0.06 -0.28 0.06 0.00 1.18 0.00 0.00 52.55 53.56 1mwb s ASP 39 Cb -0.10 -1.16 0.76 0.00 -0.34 0.00 0.00 42.92 42.08 1mwb s ASP 39 CO 0.00 0.10 2.01 0.24 0.68 0.00 0.00 175.17 178.21 1mwb h MET 40 N 2.81 0.58 -0.07 2.11 2.86 -2.00 -2.97 114.93 118.25 1mwb h MET 40 Ca -0.47 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1mwb h MET 40 Cb 1.19 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1mwb h MET 40 CO 0.60 0.43 0.01 0.00 1.06 0.00 0.00 176.91 179.01 1mwb h ALA 41 N 1.66 0.10 -0.57 6.32 0.00 -2.00 -2.73 119.26 122.03 1mwb h ALA 41 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 41 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1mwb h ALA 41 CO -0.03 -0.26 0.32 -0.22 0.00 0.00 0.00 179.25 179.07 1mwb h LYS 42 N -0.12 0.79 -0.84 0.00 3.64 -1.96 -2.89 116.57 115.19 1mwb h LYS 42 Ca 0.02 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1mwb h LYS 42 Cb 0.28 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1mwb h LYS 42 CO 0.00 0.59 0.47 1.96 -2.27 0.00 0.00 179.45 180.20 1mwb h GLN 43 N 0.77 1.17 -1.00 1.90 1.08 -1.55 0.85 115.11 118.33 1mwb h GLN 43 Ca 0.20 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 1mwb h GLN 43 Cb 0.02 -0.23 -0.07 0.00 -0.05 0.00 0.00 27.48 27.15 1mwb h GLN 43 CO -0.03 0.85 0.65 -0.09 -0.95 0.00 0.00 178.83 179.25 1mwb h ARG 44 N 1.17 1.15 0.00 1.46 2.43 -1.28 -0.80 114.38 118.51 1mwb h ARG 44 Ca 0.30 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.22 1mwb h ARG 44 Cb 0.01 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 1mwb h ARG 44 CO -0.05 0.76 -1.04 0.00 -1.51 0.00 0.00 179.97 178.13 1mwb h ALA 45 N 1.45 0.21 -0.22 2.80 0.00 -1.35 -3.25 119.26 118.90 1mwb h ALA 45 Ca 0.43 -1.04 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1mwb h ALA 45 Cb 0.15 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1mwb h ALA 45 CO -0.17 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 180.94 1mwb h HIS 46 N -1.00 -0.02 -0.80 0.00 -0.00 0.68 -0.02 115.15 113.99 1mwb h HIS 46 Ca -0.27 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.07 1mwb h HIS 46 Cb 1.15 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.57 1mwb h HIS 46 CO 0.07 -0.04 0.31 1.96 -0.00 0.00 0.00 177.93 180.23 1mwb h GLN 47 N 0.06 1.20 -0.75 5.26 1.08 -1.30 -1.36 115.11 119.29 1mwb h GLN 47 Ca 0.10 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1mwb h GLN 47 Cb 0.13 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1mwb h GLN 47 CO -0.18 0.97 0.44 -0.22 -0.95 0.00 0.00 178.83 178.89 1mwb h LYS 48 N 1.16 1.02 -0.60 1.46 3.64 -1.46 -1.15 116.57 120.64 1mwb h LYS 48 Ca 0.27 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1mwb h LYS 48 Cb 0.22 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1mwb h LYS 48 CO -0.02 0.73 -0.00 0.00 -2.27 0.00 0.00 179.45 177.89 1mwb h ALA 49 N 1.23 0.86 0.01 5.00 0.00 -0.63 -0.03 119.26 125.70 1mwb h ALA 49 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 49 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1mwb h ALA 49 CO -0.05 0.66 -0.00 0.35 0.00 0.00 0.00 179.25 180.21 1mwb h PHE 50 N 0.95 -0.01 -0.53 0.00 3.57 -0.78 0.23 116.94 120.37 1mwb h PHE 50 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1mwb h PHE 50 Cb 0.55 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1mwb h PHE 50 CO 0.04 0.11 0.15 1.25 -2.23 0.00 0.00 178.31 177.63 1mwb h LEU 51 N -0.13 0.79 -0.69 0.59 6.46 -1.16 -1.67 115.31 119.49 1mwb h LEU 51 Ca -0.00 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1mwb h LEU 51 Cb 0.13 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1mwb h LEU 51 CO 0.00 0.80 0.32 0.74 -0.62 0.00 0.00 178.44 179.69 1mwb h THR 52 N 0.74 1.23 -0.76 1.05 2.02 -0.85 -1.67 112.91 114.68 1mwb h THR 52 Ca 0.17 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1mwb h THR 52 Cb 0.31 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1mwb h THR 52 CO -0.00 0.28 0.29 0.22 0.37 0.00 0.00 175.52 176.68 1mwb h TYR 53 N 0.97 1.16 -0.23 3.16 3.20 -0.28 -0.31 116.97 124.65 1mwb h TYR 53 Ca 0.24 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1mwb h TYR 53 Cb 0.13 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1mwb h TYR 53 CO 0.01 0.89 0.00 0.00 -1.64 0.00 0.00 178.16 177.42 1mwb h ALA 54 N 1.15 0.30 0.00 1.82 0.00 -1.00 0.43 119.26 121.97 1mwb h ALA 54 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 54 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 54 CO -0.02 0.03 -0.16 0.74 0.00 0.00 0.00 179.25 179.84 1mwb h PHE 55 N 0.17 0.00 -0.33 0.00 -1.00 -1.19 -3.41 116.94 111.17 1mwb h PHE 55 Ca 0.06 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.93 1mwb h PHE 55 Cb 0.40 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.79 1mwb h PHE 55 CO 0.03 0.16 -0.17 0.20 -1.61 0.00 0.00 178.31 176.93 1mwb s GLY 56 N -4.24 -1.55 0.42 -1.45 0.00 -0.14 -5.04 107.32 95.32 1mwb s GLY 56 Ca -0.01 1.01 -0.23 0.00 0.00 0.00 0.00 44.72 45.50 1mwb s GLY 56 CO 0.60 4.21 1.02 -0.32 0.00 0.00 0.00 173.10 178.61 1mwb s GLY 57 N 1.80 2.62 0.10 0.20 0.00 0.15 -4.38 107.32 107.81 1mwb s GLY 57 Ca 0.16 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 1mwb s GLY 57 CO -0.13 0.97 0.91 -1.59 0.00 0.00 0.00 173.10 173.27 1mwb s THR 58 N -1.84 4.53 0.06 0.90 2.01 -1.26 -5.04 115.64 115.01 1mwb s THR 58 Ca 0.60 1.97 -0.22 0.00 0.31 0.00 0.00 61.69 64.35 1mwb s THR 58 Cb -0.18 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 1mwb s THR 58 CO 0.22 0.34 0.65 1.51 -0.69 0.00 0.00 174.62 176.65 1mwb s ASP 59 N -0.08 7.13 -1.28 3.53 1.47 -1.26 -4.09 116.67 122.09 1mwb s ASP 59 Ca 0.45 1.34 -0.02 0.00 1.18 0.00 0.00 52.55 55.49 1mwb s ASP 59 Cb -0.23 -2.41 0.01 0.00 -0.34 0.00 0.00 42.92 39.95 1mwb s ASP 59 CO 0.28 0.17 0.91 0.29 0.68 0.00 0.00 175.17 177.50 1mwb n LYS 60 N 2.17 -6.08 -2.64 2.11 5.02 -1.26 -4.92 118.16 112.55 1mwb n LYS 60 Ca -0.07 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 1mwb n LYS 60 Cb 0.50 -5.59 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 1mwb n LYS 60 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1mwb s TYR 61 N -3.46 3.44 0.01 2.13 5.04 -1.26 -5.03 117.35 118.22 1mwb s TYR 61 Ca 0.12 1.51 -0.17 0.00 -2.44 0.00 0.00 57.07 56.09 1mwb s TYR 61 Cb -0.06 -3.24 -0.06 0.00 0.35 0.00 0.00 41.96 38.96 1mwb s TYR 61 CO 0.77 -0.45 0.49 -0.51 -1.34 0.00 0.00 175.55 174.51 1mwb s ASP 62 N 1.18 6.91 0.00 4.32 1.01 -1.26 -4.97 116.67 123.86 1mwb s ASP 62 Ca 0.49 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1mwb s ASP 62 Cb -0.19 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1mwb s ASP 62 CO 0.18 0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.42 1mwb n GLY 63 N 2.00 -1.37 0.32 0.21 0.00 -1.26 -5.01 105.19 100.08 1mwb n GLY 63 Ca -0.11 0.74 0.14 0.00 0.00 0.00 0.00 46.02 46.79 1mwb n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwb h ARG 64 N 0.00 0.00 -0.94 1.61 3.08 -2.01 -1.21 114.38 114.91 1mwb h ARG 64 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1mwb h ARG 64 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1mwb h ARG 64 CO 0.00 0.00 0.56 -0.92 -1.07 0.00 0.00 179.97 178.54 1mwb h TYR 65 N 0.00 1.02 -0.65 3.04 3.20 -1.97 0.54 116.97 122.15 1mwb h TYR 65 Ca 0.13 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1mwb h TYR 65 Cb 0.51 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1mwb h TYR 65 CO 0.00 0.38 0.41 0.52 -1.64 0.00 0.00 178.16 177.83 1mwb h MET 66 N 0.88 0.79 -0.08 1.82 2.86 -1.62 0.16 114.93 119.75 1mwb h MET 66 Ca 0.47 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.86 1mwb h MET 66 Cb 0.50 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.00 1mwb h MET 66 CO -0.28 0.52 -0.74 0.00 1.06 0.00 0.00 176.91 177.47 1mwb h ARG 67 N 0.81 0.64 -0.94 1.72 3.08 -1.28 -1.95 114.38 116.46 1mwb h ARG 67 Ca 0.26 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1mwb h ARG 67 Cb -0.01 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1mwb h ARG 67 CO -0.09 1.20 0.59 1.49 -1.07 0.00 0.00 179.97 182.09 1mwb h GLU 68 N 0.29 1.27 0.21 0.04 4.81 0.36 0.21 114.58 121.77 1mwb h GLU 68 Ca -0.07 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1mwb h GLU 68 Cb 1.40 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1mwb h GLU 68 CO 0.15 0.87 -0.10 0.00 -0.73 0.00 0.00 179.01 179.20 1mwb h ALA 69 N 1.36 -0.28 -1.01 2.92 0.00 -0.73 -3.03 119.26 118.49 1mwb h ALA 69 Ca 0.34 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1mwb h ALA 69 Cb -0.09 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1mwb h ALA 69 CO -0.07 -0.27 0.66 0.45 0.00 0.00 0.00 179.25 180.02 1mwb h HIS 70 N -1.05 1.24 -0.56 0.00 3.86 -1.37 -1.97 115.15 115.30 1mwb h HIS 70 Ca -0.03 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1mwb h HIS 70 Cb 0.31 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1mwb h HIS 70 CO 0.02 0.71 0.16 1.57 0.86 0.00 0.00 177.93 181.26 1mwb h LYS 71 N 1.28 0.85 -0.93 2.45 2.10 -0.71 -1.68 116.57 119.94 1mwb h LYS 71 Ca 0.40 -0.17 0.16 0.00 -2.00 0.00 0.00 60.65 59.05 1mwb h LYS 71 Cb 0.00 -0.13 -0.08 0.00 -0.90 0.00 0.00 32.23 31.12 1mwb h LYS 71 CO -0.13 0.75 0.59 1.49 -2.00 0.00 0.00 179.45 180.16 1mwb h GLU 72 N 0.83 0.68 -0.31 0.07 4.81 -1.22 0.35 114.58 119.79 1mwb h GLU 72 Ca 0.19 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1mwb h GLU 72 Cb 0.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1mwb h GLU 72 CO -0.01 0.45 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.47 1mwb h LEU 73 N 0.70 0.56 -0.71 1.64 3.38 -1.22 0.01 115.31 119.67 1mwb h LEU 73 Ca 0.49 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1mwb h LEU 73 Cb 0.80 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1mwb h LEU 73 CO -0.24 0.75 0.14 0.58 0.09 0.00 0.00 178.44 179.76 1mwb h VAL 74 N 0.51 1.26 0.12 1.22 2.07 -0.09 0.15 116.25 121.50 1mwb h VAL 74 Ca 0.08 -1.01 -0.20 0.00 0.82 0.00 0.00 66.70 66.39 1mwb h VAL 74 Cb 0.60 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mwb h VAL 74 CO 0.04 0.38 -0.93 -0.33 0.02 0.00 0.00 177.57 176.75 1mwb h GLU 75 N 1.07 0.26 0.02 1.57 4.39 -1.19 -2.37 114.58 118.33 1mwb h GLU 75 Ca 0.22 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 1mwb h GLU 75 Cb 0.41 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1mwb h GLU 75 CO 0.01 1.21 -0.47 -0.91 -1.16 0.00 0.00 179.01 177.68 1mwb h ASN 76 N -0.41 0.38 0.15 1.42 2.35 -1.03 -3.37 115.58 115.06 1mwb h ASN 76 Ca -0.18 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.75 1mwb h ASN 76 Cb 1.62 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1mwb h ASN 76 CO 0.11 1.15 -1.44 1.41 -1.65 0.00 0.00 177.43 177.01 1mwb n HIS 77 N -4.33 0.11 -2.37 1.19 8.25 0.46 -5.00 115.22 113.52 1mwb n HIS 77 Ca -0.11 0.03 -0.02 0.00 -0.26 0.00 0.00 57.72 57.37 1mwb n HIS 77 Cb 0.63 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 1.35 0.62 3.73 -1.41 0.00 -0.70 -4.99 105.19 103.79 1mwb n GLY 78 Ca -0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.92 4.44 0.40 0.99 2.96 -1.17 -4.97 118.68 119.40 1mwb s LEU 79 Ca 0.03 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.16 1mwb s LEU 79 Cb -0.01 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1mwb s LEU 79 CO 0.06 -0.38 0.11 0.54 -1.32 0.00 0.00 176.35 175.36 1mwb s ASN 80 N 0.29 2.75 0.40 3.68 4.22 -1.26 -4.66 114.94 120.35 1mwb s ASN 80 Ca 0.54 -1.61 0.10 0.00 -2.14 0.00 0.00 52.86 49.75 1mwb s ASN 80 Cb -0.32 0.39 0.90 0.00 1.28 0.00 0.00 41.25 43.50 1mwb s ASN 80 CO 0.35 -0.87 1.96 1.23 -2.04 0.00 0.00 177.10 177.74 1mwb h GLY 81 N 1.84 0.78 1.10 0.45 0.00 -1.99 -1.45 103.07 103.80 1mwb h GLY 81 Ca -0.37 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1mwb h GLY 81 CO 0.60 0.15 0.59 0.83 0.00 0.00 0.00 176.54 178.71 1mwb h GLU 82 N 0.57 1.15 -0.34 4.80 3.07 -1.99 0.02 114.58 121.87 1mwb h GLU 82 Ca 0.30 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1mwb h GLU 82 Cb 0.44 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1mwb h GLU 82 CO -0.10 0.76 0.17 0.45 -1.40 0.00 0.00 179.01 178.89 1mwb h HIS 83 N 1.19 0.48 -0.57 4.33 3.86 -1.67 -1.95 115.15 120.83 1mwb h HIS 83 Ca 0.33 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1mwb h HIS 83 Cb -0.11 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1mwb h HIS 83 CO -0.00 0.41 0.30 0.35 0.86 0.00 0.00 177.93 179.84 1mwb h PHE 84 N 0.41 0.79 -0.83 2.45 3.57 -1.31 -2.43 116.94 119.60 1mwb h PHE 84 Ca 0.12 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1mwb h PHE 84 Cb 0.10 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1mwb h PHE 84 CO -0.02 0.59 0.54 0.22 -2.23 0.00 0.00 178.31 177.41 1mwb h ASP 85 N 0.77 0.81 -0.50 0.41 3.58 -0.74 -0.22 116.42 120.52 1mwb h ASP 85 Ca 0.20 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1mwb h ASP 85 Cb 0.07 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1mwb h ASP 85 CO -0.03 0.52 0.22 0.00 -2.88 0.00 0.00 179.24 177.08 1mwb h ALA 86 N 1.55 0.65 -0.29 -0.78 0.00 -0.87 0.40 119.26 119.91 1mwb h ALA 86 Ca 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 86 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mwb h ALA 86 CO -0.13 0.23 -0.08 0.28 0.00 0.00 0.00 179.25 179.56 1mwb h VAL 87 N 0.67 1.28 -0.63 0.00 2.07 -1.13 -2.35 116.25 116.16 1mwb h VAL 87 Ca 0.17 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1mwb h VAL 87 Cb 0.15 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1mwb h VAL 87 CO -0.02 0.36 0.04 0.00 0.02 0.00 0.00 177.57 177.97 1mwb h ALA 88 N 0.78 0.86 -0.75 1.67 0.00 -0.90 -2.74 119.26 118.17 1mwb h ALA 88 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mwb h ALA 88 Cb 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1mwb h ALA 88 CO 0.03 0.67 0.45 1.49 0.00 0.00 0.00 179.25 181.90 1mwb h GLU 89 N 1.01 1.02 -0.95 0.00 4.81 -0.13 -2.01 114.58 118.31 1mwb h GLU 89 Ca 0.18 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1mwb h GLU 89 Cb 0.52 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1mwb h GLU 89 CO 0.03 0.71 0.60 -0.44 -0.73 0.00 0.00 179.01 179.18 1mwb h ASP 90 N 1.04 1.12 -0.89 1.04 3.32 -1.12 -2.17 116.42 118.75 1mwb h ASP 90 Ca 0.27 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.27 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 0.57 0.25 -1.72 0.00 0.00 179.24 179.13 1mwb h LEU 91 N 1.30 1.05 -1.12 1.55 5.85 -1.23 -2.16 115.31 120.55 1mwb h LEU 91 Ca 0.34 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1mwb h LEU 91 Cb -0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1mwb h LEU 91 CO -0.07 0.78 0.26 -0.07 -0.34 0.00 0.00 178.44 179.00 1mwb h LEU 92 N 1.22 0.80 -0.90 2.25 3.38 -1.19 -2.56 115.31 118.31 1mwb h LEU 92 Ca 0.32 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1mwb h LEU 92 Cb -0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1mwb h LEU 92 CO -0.07 0.71 0.49 0.00 0.09 0.00 0.00 178.44 179.66 1mwb h ALA 93 N 1.41 1.16 -0.74 1.53 0.00 -1.03 -2.41 119.26 119.18 1mwb h ALA 93 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 93 Cb 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1mwb h ALA 93 CO -0.02 0.66 0.40 1.15 0.00 0.00 0.00 179.25 181.44 1mwb h THR 94 N 1.26 1.23 -0.72 0.00 2.02 -1.24 -2.55 112.91 112.91 1mwb h THR 94 Ca 0.32 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1mwb h THR 94 Cb 0.03 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1mwb h THR 94 CO -0.05 0.25 0.28 -0.07 0.37 0.00 0.00 175.52 176.30 1mwb h LEU 95 N 1.02 0.99 -0.93 2.58 3.38 -1.31 -2.68 115.31 118.37 1mwb h LEU 95 Ca 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mwb h LEU 95 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1mwb h LEU 95 CO -0.04 0.89 0.42 0.11 0.09 0.00 0.00 178.44 179.91 1mwb h LYS 96 N 1.05 1.19 -0.86 1.13 1.57 -1.05 -2.45 116.57 117.15 1mwb h LYS 96 Ca 0.24 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1mwb h LYS 96 Cb 0.22 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1mwb h LYS 96 CO -0.02 0.90 0.52 1.49 -0.57 0.00 0.00 179.45 181.77 1mwb h GLU 97 N 1.19 1.17 -0.09 3.15 4.81 -1.14 -1.57 114.58 122.09 1mwb h GLU 97 Ca 0.29 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1mwb h GLU 97 Cb 0.08 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1mwb h GLU 97 CO -0.04 0.82 -0.15 0.52 -0.73 0.00 0.00 179.01 179.42 1mwb h MET 98 N 1.18 0.14 0.00 1.92 2.86 -1.28 -3.46 114.93 116.28 1mwb h MET 98 Ca 0.31 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1mwb h MET 98 Cb -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1mwb h MET 98 CO -0.06 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.62 1mwb n GLY 99 N -0.93 0.90 3.75 8.32 0.00 -0.59 -5.06 105.19 111.59 1mwb n GLY 99 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 2.23 0.50 1.61 1.01 -1.15 -4.91 120.40 117.68 1mwb s VAL 100 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1mwb s VAL 100 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1mwb s VAL 100 CO 0.00 0.03 0.84 -0.81 0.00 0.00 0.00 175.10 175.16 1mwb n PRO 101 N 2.22 0.96 0.04 2.72 -0.04 -1.26 -4.81 135.00 134.83 1mwb n PRO 101 Ca 0.08 0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.92 1mwb n PRO 101 Cb 0.38 -1.93 0.38 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.91 0.44 -0.73 0.54 5.08 -1.99 -2.55 114.58 116.29 1mwb h GLU 102 Ca -0.45 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1mwb h GLU 102 Cb 1.36 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1mwb h GLU 102 CO 0.53 0.41 0.44 -0.44 -1.00 0.00 0.00 179.01 178.95 1mwb h ASP 103 N 0.44 0.71 -0.35 1.42 3.32 -2.00 0.28 116.42 120.23 1mwb h ASP 103 Ca 0.10 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1mwb h ASP 103 Cb 0.17 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1mwb h ASP 103 CO -0.00 0.47 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.60 1mwb h LEU 104 N 0.84 0.89 -1.25 1.55 -0.00 -1.82 -2.99 115.31 112.53 1mwb h LEU 104 Ca 0.30 -0.46 -0.03 0.00 -0.00 0.00 0.00 57.88 57.70 1mwb h LEU 104 Cb 0.09 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 1mwb h LEU 104 CO -0.14 1.17 0.21 0.40 -0.00 0.00 0.00 178.44 180.08 1mwb h ILE 105 N 0.63 1.19 -0.64 1.22 2.04 -1.08 -1.96 117.51 118.91 1mwb h ILE 105 Ca 0.06 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1mwb h ILE 105 Cb 0.91 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1mwb h ILE 105 CO 0.08 0.23 0.29 0.00 0.00 0.00 0.00 178.15 178.75 1mwb h ALA 106 N 1.51 0.83 -0.46 1.87 0.00 -0.84 -1.82 119.26 120.35 1mwb h ALA 106 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 106 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1mwb h ALA 106 CO -0.02 0.41 -0.09 0.93 0.00 0.00 0.00 179.25 180.48 1mwb h GLU 107 N 0.89 0.81 -0.80 0.00 5.08 -1.31 -2.51 114.58 116.75 1mwb h GLU 107 Ca 0.22 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1mwb h GLU 107 Cb 0.14 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1mwb h GLU 107 CO -0.02 0.88 0.38 0.28 -1.00 0.00 0.00 179.01 179.52 1mwb h VAL 108 N 0.74 1.25 -0.31 3.13 2.07 -0.97 -2.32 116.25 119.84 1mwb h VAL 108 Ca 0.13 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1mwb h VAL 108 Cb 0.58 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1mwb h VAL 108 CO 0.04 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.81 1mwb h ALA 109 N 1.20 1.21 0.00 1.67 0.00 -1.10 -2.52 119.26 119.72 1mwb h ALA 109 Ca 0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 109 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mwb h ALA 109 CO -0.03 0.51 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 1mwb h ALA 110 N 1.38 1.39 -0.69 0.00 0.00 -0.99 2.39 119.26 122.73 1mwb h ALA 110 Ca 0.09 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 110 Cb 0.51 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1mwb h ALA 110 CO 0.03 0.25 0.38 0.28 0.00 0.00 0.00 179.25 180.18 1mwb h VAL 111 N 0.00 0.93 0.00 0.00 2.07 -1.17 -3.24 116.25 114.84 1mwb h VAL 111 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mwb h VAL 111 Cb 0.43 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1mwb h VAL 111 CO 0.03 0.12 -0.90 0.00 0.02 0.00 0.00 177.57 176.84 1mwb n ALA 112 N -2.37 2.22 0.25 1.67 0.00 -1.11 -4.60 120.51 116.58 1mwb n ALA 112 Ca 0.10 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1mwb n ALA 112 Cb 0.21 -0.13 0.90 0.00 0.00 0.00 0.00 19.45 20.43 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 0.72 0.00 -5.82 0.00 0.00 0.40 -3.41 103.07 94.96 1mwb h GLY 113 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1mwb h GLY 113 CO 0.00 0.00 0.76 0.00 0.00 0.00 0.00 176.54 177.30 1mwb n ALA 114 N -2.21 -0.19 0.09 3.60 0.00 -1.22 -4.82 120.51 115.76 1mwb n ALA 114 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1mwb n ALA 114 Cb 0.29 -2.22 0.61 0.00 0.00 0.00 0.00 19.45 18.13 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 6.42 0.13 -0.56 0.00 0.13 -1.96 -1.97 132.00 134.19 1mwb h PRO 115 Ca -0.47 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1mwb h PRO 115 Cb 1.31 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1mwb h PRO 115 CO 0.89 0.09 0.27 0.00 -0.23 0.00 0.00 178.00 179.01 1mwb h ALA 116 N 1.83 0.73 -0.83 -0.56 0.00 -1.92 -2.70 119.26 115.81 1mwb h ALA 116 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mwb h ALA 116 Cb 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 116 CO -0.02 0.29 0.52 0.45 0.00 0.00 0.00 179.25 180.50 1mwb h HIS 117 N 0.76 1.07 0.00 0.00 3.86 -1.64 -2.10 115.15 117.10 1mwb h HIS 117 Ca 0.19 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1mwb h HIS 117 Cb 0.12 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1mwb h HIS 117 CO -0.00 0.70 -0.01 0.87 0.86 0.00 0.00 177.93 180.35 1mwb h LYS 118 N 1.13 0.00 -0.96 2.45 1.57 -1.37 -2.66 116.57 116.73 1mwb h LYS 118 Ca 0.30 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.26 1mwb h LYS 118 Cb -0.08 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.14 1mwb h LYS 118 CO -0.06 0.01 0.61 0.00 -0.57 0.00 0.00 179.45 179.43 1mwb h ARG 119 N 0.00 0.65 -0.38 3.15 3.08 -1.17 0.71 114.38 120.41 1mwb h ARG 119 Ca -0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1mwb h ARG 119 Cb 0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1mwb h ARG 119 CO 0.00 0.43 0.09 0.38 -1.07 0.00 0.00 179.97 179.80 1mwb h ASP 120 N 0.67 0.52 0.01 7.04 3.04 -1.62 0.81 116.42 126.88 1mwb h ASP 120 Ca 0.52 -0.07 -0.00 0.00 -3.24 0.00 0.00 57.03 54.24 1mwb h ASP 120 Cb 0.93 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 1mwb h ASP 120 CO -0.28 0.52 -0.00 0.58 -2.04 0.00 0.00 179.24 178.02 1mwb h VAL 121 N 0.55 0.00 -0.50 4.15 2.07 -1.08 -3.38 116.25 118.06 1mwb h VAL 121 Ca 0.13 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1mwb h VAL 121 Cb 0.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1mwb h VAL 121 CO -0.00 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.56 1mwb h LEU 122 N -0.77 0.76 -1.60 2.57 3.38 -1.25 -3.37 115.31 115.04 1mwb h LEU 122 Ca -0.00 -0.17 -0.41 0.00 0.09 0.00 0.00 57.88 57.39 1mwb h LEU 122 Cb 0.01 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 40.62 1mwb h LEU 122 CO 0.00 0.80 -0.80 0.59 0.09 0.00 0.00 178.44 179.12 1mwb n ASN 123 N -4.24 -2.07 0.00 -0.43 3.02 0.28 -4.81 115.26 107.01 1mwb n ASN 123 Ca 0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1mwb n ASN 123 Cb 0.27 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64