#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 0.68 -0.83 0.44 1.35 -2.04 -2.75 112.91 109.76 1mwb h THR 3 Ca 0.00 -0.92 0.06 0.00 -0.55 0.00 0.00 66.41 64.99 1mwb h THR 3 Cb 0.00 1.58 -0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1mwb h THR 3 CO 0.00 0.21 0.54 0.25 -0.25 0.00 0.00 175.52 176.27 1mwb h LEU 4 N 0.00 0.82 -1.85 3.87 5.85 -2.03 0.23 115.31 122.20 1mwb h LEU 4 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1mwb h LEU 4 Cb 0.57 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1mwb h LEU 4 CO 0.03 0.54 -0.13 1.88 -0.34 0.00 0.00 178.44 180.42 1mwb h TYR 5 N 0.94 0.00 -0.82 1.25 0.05 -1.87 -2.64 116.97 113.88 1mwb h TYR 5 Ca 0.35 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.27 1mwb h TYR 5 Cb 0.17 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 1mwb h TYR 5 CO -0.00 0.13 0.54 1.49 -1.05 0.00 0.00 178.16 179.27 1mwb h GLU 6 N 0.00 0.55 -0.97 4.88 4.81 -1.05 0.25 114.58 123.05 1mwb h GLU 6 Ca -0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1mwb h GLU 6 Cb 0.35 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1mwb h GLU 6 CO 0.02 0.36 0.63 0.87 -0.73 0.00 0.00 179.01 180.16 1mwb h LYS 7 N 0.56 1.20 -0.09 1.92 1.57 -1.58 -0.86 116.57 119.29 1mwb h LYS 7 Ca 0.40 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1mwb h LYS 7 Cb 0.76 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1mwb h LYS 7 CO -0.16 0.79 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.21 1mwb h LEU 8 N 1.23 0.15 0.00 2.94 3.38 -1.11 -3.45 115.31 118.45 1mwb h LEU 8 Ca 0.38 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1mwb h LEU 8 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1mwb h LEU 8 CO -0.11 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1mwb n GLY 9 N -0.71 0.61 0.00 0.83 0.00 -0.34 -4.98 105.19 100.60 1mwb n GLY 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.04 0.29 -0.02 0.00 -1.11 -4.14 105.19 100.16 1mwb n GLY 10 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 1.26 -0.85 2.61 2.02 -1.89 -2.96 112.91 113.10 1mwb h THR 11 Ca 0.00 -1.15 0.06 0.00 0.77 0.00 0.00 66.41 66.09 1mwb h THR 11 Cb 0.00 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1mwb h THR 11 CO 0.00 0.40 0.53 0.74 0.37 0.00 0.00 175.52 177.56 1mwb h THR 12 N 0.79 1.05 -0.45 3.16 2.02 -1.97 -1.57 112.91 115.94 1mwb h THR 12 Ca 0.14 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1mwb h THR 12 Cb 0.57 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1mwb h THR 12 CO 0.03 0.18 0.10 0.00 0.37 0.00 0.00 175.52 176.20 1mwb h ALA 13 N 1.40 1.33 -0.80 6.16 0.00 -1.68 -2.57 119.26 123.10 1mwb h ALA 13 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1mwb h ALA 13 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1mwb h ALA 13 CO -0.17 0.48 0.46 0.28 0.00 0.00 0.00 179.25 180.30 1mwb h VAL 14 N 0.66 1.23 -0.82 0.00 2.07 -1.22 -2.23 116.25 115.94 1mwb h VAL 14 Ca 0.15 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1mwb h VAL 14 Cb 0.27 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1mwb h VAL 14 CO -0.00 0.25 0.54 0.44 0.02 0.00 0.00 177.57 178.82 1mwb h ASP 15 N 1.11 0.93 -0.96 0.57 3.32 -1.16 -1.96 116.42 118.26 1mwb h ASP 15 Ca 0.29 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.34 1mwb h ASP 15 Cb -0.01 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1mwb h ASP 15 CO -0.05 0.66 0.63 -0.07 -1.72 0.00 0.00 179.24 178.70 1mwb h LEU 16 N 1.09 1.08 -0.12 1.55 3.38 -1.28 0.62 115.31 121.64 1mwb h LEU 16 Ca 0.31 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1mwb h LEU 16 Cb -0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1mwb h LEU 16 CO -0.07 0.76 -0.07 0.00 0.09 0.00 0.00 178.44 179.15 1mwb h ALA 17 N 1.37 0.17 -0.34 1.53 0.00 -1.23 -1.74 119.26 119.02 1mwb h ALA 17 Ca 0.37 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 17 Cb -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mwb h ALA 17 CO -0.10 -0.04 -0.12 0.28 0.00 0.00 0.00 179.25 179.28 1mwb h VAL 18 N -0.11 1.28 0.09 0.00 2.07 -1.11 -0.76 116.25 117.71 1mwb h VAL 18 Ca 0.02 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1mwb h VAL 18 Cb 0.54 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1mwb h VAL 18 CO 0.02 0.39 -0.04 0.44 0.02 0.00 0.00 177.57 178.40 1mwb h ASP 19 N 0.46 -0.10 -0.14 0.57 3.32 0.21 -0.40 116.42 120.33 1mwb h ASP 19 Ca 0.08 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1mwb h ASP 19 Cb 0.64 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1mwb h ASP 19 CO 0.04 -0.00 0.04 0.11 -1.72 0.00 0.00 179.24 177.71 1mwb h LYS 20 N -0.19 0.23 -0.86 3.56 1.57 -1.35 -2.68 116.57 116.85 1mwb h LYS 20 Ca -0.01 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1mwb h LYS 20 Cb 0.16 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1mwb h LYS 20 CO 0.02 0.37 0.53 0.35 -0.57 0.00 0.00 179.45 180.15 1mwb h PHE 21 N 0.04 0.98 -0.66 -1.35 3.57 -1.09 -1.30 116.94 117.13 1mwb h PHE 21 Ca 0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1mwb h PHE 21 Cb 0.24 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1mwb h PHE 21 CO 0.00 0.49 0.41 -0.92 -2.23 0.00 0.00 178.31 176.07 1mwb h TYR 22 N 0.96 0.78 -0.50 0.41 3.20 -0.92 -2.38 116.97 118.52 1mwb h TYR 22 Ca 0.38 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 1mwb h TYR 22 Cb 0.18 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1mwb h TYR 22 CO -0.03 0.46 -0.08 0.93 -1.64 0.00 0.00 178.16 177.79 1mwb h GLU 23 N 0.82 0.90 -0.80 1.82 5.08 -1.01 -2.88 114.58 118.50 1mwb h GLU 23 Ca 0.26 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1mwb h GLU 23 Cb -0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1mwb h GLU 23 CO -0.09 0.94 0.53 0.00 -1.00 0.00 0.00 179.01 179.39 1mwb h ARG 24 N 0.81 0.91 -0.30 2.33 2.47 -0.77 0.33 114.38 120.17 1mwb h ARG 24 Ca 0.14 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1mwb h ARG 24 Cb 0.59 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1mwb h ARG 24 CO 0.04 0.60 0.11 0.28 0.56 0.00 0.00 179.97 181.56 1mwb h VAL 25 N 0.94 1.19 -0.56 2.04 2.07 -1.26 -1.35 116.25 119.32 1mwb h VAL 25 Ca 0.33 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1mwb h VAL 25 Cb 0.12 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1mwb h VAL 25 CO -0.11 0.20 -0.07 -0.07 0.02 0.00 0.00 177.57 177.54 1mwb h LEU 26 N 0.32 1.02 -1.47 2.57 3.38 -1.35 -2.80 115.31 116.99 1mwb h LEU 26 Ca 0.10 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1mwb h LEU 26 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1mwb h LEU 26 CO -0.01 1.11 0.00 1.56 0.09 0.00 0.00 178.44 181.20 1mwb h GLN 27 N 0.92 0.34 -6.37 1.13 1.08 -0.78 -3.39 115.11 108.04 1mwb h GLN 27 Ca 0.15 -0.06 -0.54 0.00 -1.45 0.00 0.00 58.65 56.75 1mwb h GLN 27 Cb 0.63 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.94 1mwb h GLN 27 CO 0.04 0.37 1.10 0.34 -0.95 0.00 0.00 178.83 179.73 1mwb s ASP 28 N -6.82 6.10 0.43 1.46 2.15 -0.52 -4.85 116.67 114.61 1mwb s ASP 28 Ca -0.06 0.06 0.12 0.00 0.43 0.00 0.00 52.55 53.10 1mwb s ASP 28 Cb 0.16 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 41.18 1mwb s ASP 28 CO 0.73 -1.78 1.99 -0.78 -0.17 0.00 0.00 175.17 175.17 1mwb h ASP 29 N 10.94 0.13 -0.98 -0.34 3.58 -1.83 0.94 116.42 128.86 1mwb h ASP 29 Ca -0.27 -0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.30 1mwb h ASP 29 Cb 1.08 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 1mwb h ASP 29 CO 1.21 0.24 0.62 0.03 -2.88 0.00 0.00 179.24 178.46 1mwb h ARG 30 N 0.14 0.88 -0.01 0.28 3.08 -1.93 -2.79 114.38 114.03 1mwb h ARG 30 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1mwb h ARG 30 Cb 0.26 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1mwb h ARG 30 CO 0.01 0.58 -0.09 0.44 -1.07 0.00 0.00 179.97 179.84 1mwb n ILE 31 N -4.62 0.00 -0.12 2.04 -5.35 -1.06 -4.62 119.36 105.62 1mwb n ILE 31 Ca 0.19 -0.45 0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1mwb n ILE 31 Cb 0.41 1.12 0.42 0.00 -1.74 0.00 0.00 39.64 39.84 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 1.11 0.58 -0.84 6.28 3.64 -0.52 -1.51 116.57 125.31 1mwb h LYS 32 Ca 0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1mwb h LYS 32 Cb 0.28 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1mwb h LYS 32 CO 0.00 0.39 0.55 1.12 -2.27 0.00 0.00 179.45 179.23 1mwb h HIS 33 N 0.60 0.88 -0.66 1.91 2.07 -1.82 0.45 115.15 118.58 1mwb h HIS 33 Ca 0.28 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.79 1mwb h HIS 33 Cb 0.32 -0.28 -0.03 0.00 2.57 0.00 0.00 27.41 29.98 1mwb h HIS 33 CO -0.00 0.42 0.27 0.74 -3.07 0.00 0.00 177.93 176.28 1mwb h PHE 34 N 0.83 0.97 -0.63 6.12 0.04 -1.61 -2.20 116.94 120.45 1mwb h PHE 34 Ca 0.38 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1mwb h PHE 34 Cb 0.39 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1mwb h PHE 34 CO -0.00 0.74 0.00 1.19 -0.60 0.00 0.00 178.31 179.64 1mwb n PHE 35 N -4.31 0.85 -0.28 -0.55 3.72 -0.08 -4.41 117.46 112.39 1mwb n PHE 35 Ca 0.06 -0.42 0.06 0.00 -0.05 0.00 0.00 57.45 57.10 1mwb n PHE 35 Cb 0.17 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.00 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 4.18 1.61 -2.57 4.37 0.00 0.47 -3.34 119.26 123.99 1mwb h ALA 36 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 0.86 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.04 1mwb h ALA 36 CO 0.00 0.22 -0.86 -0.51 0.00 0.00 0.00 179.25 178.09 1mwb s ASP 37 N -5.96 2.74 -0.12 0.00 1.01 -1.26 -5.09 116.67 108.00 1mwb s ASP 37 Ca -0.11 -2.36 -0.10 0.00 0.71 0.00 0.00 52.55 50.69 1mwb s ASP 37 Cb 0.20 -0.44 0.03 0.00 1.01 0.00 0.00 42.92 43.73 1mwb s ASP 37 CO 0.79 -0.28 0.30 -0.69 0.21 0.00 0.00 175.17 175.50 1mwb s VAL 38 N 0.86 -0.01 0.34 -1.27 1.01 -1.25 -5.12 120.40 114.95 1mwb s VAL 38 Ca 0.21 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 1mwb s VAL 38 Cb -0.18 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.66 1mwb s VAL 38 CO -0.03 0.01 1.30 1.51 0.00 0.00 0.00 175.10 177.89 1mwb s ASP 39 N 0.34 6.73 0.51 3.32 1.47 -1.26 -4.90 116.67 122.87 1mwb s ASP 39 Ca -0.01 2.67 0.18 0.00 1.18 0.00 0.00 52.55 56.56 1mwb s ASP 39 Cb -0.03 -2.65 1.28 0.00 -0.34 0.00 0.00 42.92 41.19 1mwb s ASP 39 CO -0.01 -0.56 2.12 0.00 0.68 0.00 0.00 175.17 177.40 1mwb h MET 40 N 3.29 0.00 0.02 2.11 -0.00 -2.01 -2.89 114.93 115.45 1mwb h MET 40 Ca -0.49 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.23 1mwb h MET 40 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.80 1mwb h MET 40 CO 0.65 0.05 -0.16 0.00 -0.00 0.00 0.00 176.91 177.46 1mwb h ALA 41 N 1.95 -0.20 -0.75 -3.00 0.00 -2.00 0.38 119.26 115.63 1mwb h ALA 41 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 41 Cb 0.10 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 41 CO 0.01 -0.66 0.29 0.87 0.00 0.00 0.00 179.25 179.76 1mwb h LYS 42 N -0.27 1.14 -0.74 0.00 1.57 -1.91 -2.62 116.57 113.74 1mwb h LYS 42 Ca 0.04 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1mwb h LYS 42 Cb 0.32 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1mwb h LYS 42 CO -0.14 0.94 0.44 1.96 -0.57 0.00 0.00 179.45 182.08 1mwb h GLN 43 N 1.10 1.01 -0.79 3.15 4.20 -1.33 0.27 115.11 122.70 1mwb h GLN 43 Ca 0.25 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.93 1mwb h GLN 43 Cb 0.24 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1mwb h GLN 43 CO -0.02 0.71 0.48 -0.09 -0.67 0.00 0.00 178.83 179.24 1mwb h ARG 44 N 1.02 0.85 0.12 1.46 2.43 -0.54 0.29 114.38 120.00 1mwb h ARG 44 Ca 0.27 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 1mwb h ARG 44 Cb -0.03 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1mwb h ARG 44 CO -0.05 0.56 -0.66 0.00 -1.51 0.00 0.00 179.97 178.31 1mwb h ALA 45 N 1.39 -0.08 -0.00 2.80 0.00 -1.35 -2.83 119.26 119.19 1mwb h ALA 45 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mwb h ALA 45 Cb 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1mwb h ALA 45 CO -0.18 0.31 -0.01 1.25 0.00 0.00 0.00 179.25 180.63 1mwb h HIS 46 N -0.49 -0.02 -0.60 0.00 -0.00 -0.30 0.21 115.15 113.96 1mwb h HIS 46 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 1mwb h HIS 46 Cb 1.53 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.92 1mwb h HIS 46 CO 0.21 -0.01 0.21 1.96 -0.00 0.00 0.00 177.93 180.30 1mwb h GLN 47 N -0.01 0.91 -0.66 5.26 1.08 -0.58 -1.73 115.11 119.38 1mwb h GLN 47 Ca 0.00 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1mwb h GLN 47 Cb 0.02 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1mwb h GLN 47 CO -0.01 0.80 0.24 -0.22 -0.95 0.00 0.00 178.83 178.69 1mwb h LYS 48 N 0.84 1.00 -0.62 1.46 1.63 -1.28 -2.66 116.57 116.95 1mwb h LYS 48 Ca 0.20 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1mwb h LYS 48 Cb 0.25 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1mwb h LYS 48 CO -0.01 0.85 0.20 0.00 -3.45 0.00 0.00 179.45 177.05 1mwb h ALA 49 N 1.10 1.19 -0.36 5.00 0.00 -0.33 -2.41 119.26 123.45 1mwb h ALA 49 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 49 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 49 CO -0.01 0.57 0.23 0.35 0.00 0.00 0.00 179.25 180.38 1mwb h PHE 50 N 0.90 0.47 -0.65 0.00 3.57 -0.98 -1.29 116.94 118.96 1mwb h PHE 50 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1mwb h PHE 50 Cb 0.24 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1mwb h PHE 50 CO 0.02 0.32 0.35 1.25 -2.23 0.00 0.00 178.31 178.02 1mwb h LEU 51 N 0.48 0.81 -0.58 0.59 6.46 -1.24 -0.80 115.31 121.02 1mwb h LEU 51 Ca 0.13 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1mwb h LEU 51 Cb -0.02 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 1mwb h LEU 51 CO -0.03 0.67 0.34 0.74 -0.62 0.00 0.00 178.44 179.55 1mwb h THR 52 N 0.88 1.18 -0.66 1.05 2.02 -1.12 -1.43 112.91 114.83 1mwb h THR 52 Ca 0.23 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1mwb h THR 52 Cb 0.04 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1mwb h THR 52 CO -0.04 0.19 0.09 0.22 0.37 0.00 0.00 175.52 176.35 1mwb h TYR 53 N 0.79 1.17 -0.40 3.16 3.20 -0.92 -2.42 116.97 121.56 1mwb h TYR 53 Ca 0.21 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1mwb h TYR 53 Cb 0.00 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1mwb h TYR 53 CO -0.02 0.99 0.08 0.00 -1.64 0.00 0.00 178.16 177.57 1mwb h ALA 54 N 1.04 0.52 0.00 1.82 0.00 -0.83 2.29 119.26 124.11 1mwb h ALA 54 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 54 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1mwb h ALA 54 CO 0.02 0.22 -0.17 0.74 0.00 0.00 0.00 179.25 180.05 1mwb h PHE 55 N 0.50 0.00 0.00 0.00 -1.00 -1.19 -3.38 116.94 111.87 1mwb h PHE 55 Ca 0.12 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.70 1mwb h PHE 55 Cb 0.34 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.76 1mwb h PHE 55 CO 0.02 0.17 -0.41 0.41 -1.61 0.00 0.00 178.31 176.89 1mwb n GLY 56 N -0.64 -0.21 3.81 -1.45 0.00 -0.92 -5.05 105.19 100.74 1mwb n GLY 56 Ca -0.02 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.42 1.59 0.06 -0.02 0.00 0.77 -4.69 107.32 103.60 1mwb s GLY 57 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1mwb s GLY 57 CO -0.21 0.04 -0.04 -1.08 0.00 0.00 0.00 173.10 171.81 1mwb s THR 58 N -3.30 0.35 0.37 0.90 -1.32 -1.26 -5.03 115.64 106.34 1mwb s THR 58 Ca 0.63 -1.60 0.07 0.00 -1.21 0.00 0.00 61.69 59.58 1mwb s THR 58 Cb -0.14 -1.23 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1mwb s THR 58 CO 0.53 -0.81 0.43 1.51 -2.21 0.00 0.00 174.62 174.06 1mwb s ASP 59 N -2.54 5.56 -1.28 8.08 1.47 -1.26 -4.62 116.67 122.08 1mwb s ASP 59 Ca 0.02 -0.42 -0.03 0.00 1.18 0.00 0.00 52.55 53.30 1mwb s ASP 59 Cb 0.02 -0.92 0.01 0.00 -0.34 0.00 0.00 42.92 41.69 1mwb s ASP 59 CO -0.06 -0.52 0.96 0.29 0.68 0.00 0.00 175.17 176.52 1mwb n LYS 60 N -1.60 -6.41 -2.77 2.11 5.02 -1.26 -4.94 118.16 108.31 1mwb n LYS 60 Ca 0.02 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 1mwb n LYS 60 Cb 0.59 -5.69 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.42 3.64 -0.19 2.13 5.04 -1.26 -5.02 117.35 118.26 1mwb s TYR 61 Ca 0.16 1.61 -0.23 0.00 -2.44 0.00 0.00 57.07 56.18 1mwb s TYR 61 Cb -0.07 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.15 1mwb s TYR 61 CO 0.76 -0.01 0.72 0.16 -1.34 0.00 0.00 175.55 175.84 1mwb s ASP 62 N 0.98 6.79 0.00 4.32 1.47 -1.26 -4.87 116.67 124.10 1mwb s ASP 62 Ca 0.49 0.97 0.00 0.00 1.18 0.00 0.00 52.55 55.19 1mwb s ASP 62 Cb -0.20 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 1mwb s ASP 62 CO 0.26 -0.34 0.00 0.61 0.68 0.00 0.00 175.17 176.37 1mwb n GLY 63 N 3.69 -1.60 0.34 2.12 0.00 -1.26 -5.01 105.19 103.46 1mwb n GLY 63 Ca 0.01 0.72 0.16 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.98 1.61 3.08 -2.01 -1.10 114.38 114.98 1mwb h ARG 64 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1mwb h ARG 64 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1mwb h ARG 64 CO 0.00 0.00 0.60 -0.92 -1.07 0.00 0.00 179.97 178.58 1mwb h TYR 65 N 0.00 1.06 -0.82 3.04 3.20 -1.99 0.11 116.97 121.58 1mwb h TYR 65 Ca 0.13 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1mwb h TYR 65 Cb 0.59 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1mwb h TYR 65 CO 0.00 0.33 0.52 0.52 -1.64 0.00 0.00 178.16 177.89 1mwb h MET 66 N 0.85 0.99 -0.43 1.82 2.86 -1.60 -1.00 114.93 118.41 1mwb h MET 66 Ca 0.53 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.96 1mwb h MET 66 Cb 0.68 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1mwb h MET 66 CO -0.33 0.65 -0.31 0.00 1.06 0.00 0.00 176.91 177.98 1mwb h ARG 67 N 1.02 0.97 -0.72 1.72 3.08 -1.15 -2.02 114.38 117.27 1mwb h ARG 67 Ca 0.33 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1mwb h ARG 67 Cb 0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1mwb h ARG 67 CO -0.12 1.14 0.30 0.93 -1.07 0.00 0.00 179.97 181.15 1mwb h GLU 68 N 0.81 1.06 0.26 0.04 5.08 -0.53 0.11 114.58 121.42 1mwb h GLU 68 Ca 0.08 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1mwb h GLU 68 Cb 0.90 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1mwb h GLU 68 CO 0.08 0.86 -0.13 0.00 -1.00 0.00 0.00 179.01 178.82 1mwb h ALA 69 N 1.28 -0.36 -0.90 3.43 0.00 -1.16 -3.06 119.26 118.50 1mwb h ALA 69 Ca 0.24 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1mwb h ALA 69 Cb 0.18 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1mwb h ALA 69 CO -0.02 -0.33 0.59 0.45 0.00 0.00 0.00 179.25 179.94 1mwb h HIS 70 N -1.08 1.08 -0.62 0.00 3.86 -1.42 -1.98 115.15 114.99 1mwb h HIS 70 Ca -0.04 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1mwb h HIS 70 Cb 0.27 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1mwb h HIS 70 CO 0.00 0.62 0.19 1.57 0.86 0.00 0.00 177.93 181.17 1mwb h LYS 71 N 1.11 0.94 -0.94 2.45 2.10 -1.10 -1.65 116.57 119.49 1mwb h LYS 71 Ca 0.36 -0.18 0.17 0.00 -2.00 0.00 0.00 60.65 59.00 1mwb h LYS 71 Cb 0.05 -0.15 -0.08 0.00 -0.90 0.00 0.00 32.23 31.15 1mwb h LYS 71 CO -0.11 0.81 0.60 1.49 -2.00 0.00 0.00 179.45 180.24 1mwb h GLU 72 N 0.91 0.66 -0.38 0.07 4.81 -1.25 0.38 114.58 119.79 1mwb h GLU 72 Ca 0.20 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1mwb h GLU 72 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1mwb h GLU 72 CO -0.01 0.44 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.50 1mwb h LEU 73 N 0.68 0.67 -0.61 1.64 3.38 -1.23 0.19 115.31 120.04 1mwb h LEU 73 Ca 0.49 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1mwb h LEU 73 Cb 0.85 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1mwb h LEU 73 CO -0.25 0.83 0.21 0.58 0.09 0.00 0.00 178.44 179.90 1mwb h VAL 74 N 0.61 1.24 0.15 1.22 2.07 -0.00 0.57 116.25 122.12 1mwb h VAL 74 Ca 0.10 -0.79 -0.31 0.00 0.82 0.00 0.00 66.70 66.53 1mwb h VAL 74 Cb 0.59 0.61 0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1mwb h VAL 74 CO 0.04 0.30 -1.30 -0.33 0.02 0.00 0.00 177.57 176.30 1mwb h GLU 75 N 0.86 0.61 0.08 1.57 5.08 -1.15 -2.13 114.58 119.49 1mwb h GLU 75 Ca 0.20 -0.86 -0.20 0.00 -1.00 0.00 0.00 59.36 57.50 1mwb h GLU 75 Cb 0.25 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mwb h GLU 75 CO -0.01 1.40 -0.99 -0.91 -1.00 0.00 0.00 179.01 177.49 1mwb h ASN 76 N 0.24 0.26 0.18 1.42 2.35 -0.93 -3.39 115.58 115.71 1mwb h ASN 76 Ca -0.21 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.70 1mwb h ASN 76 Cb 1.97 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.26 1mwb h ASN 76 CO 0.25 1.43 -1.08 1.41 -1.65 0.00 0.00 177.43 177.79 1mwb n HIS 77 N -4.18 0.07 -2.68 1.19 8.25 0.19 -4.99 115.22 113.07 1mwb n HIS 77 Ca -0.21 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.22 1mwb n HIS 77 Cb 0.77 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 31.68 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 1.43 0.53 3.72 -1.41 0.00 -0.60 -4.97 105.19 103.90 1mwb n GLY 78 Ca 0.03 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.61 4.40 0.42 0.99 2.96 -1.17 -4.96 118.68 118.71 1mwb s LEU 79 Ca 0.11 2.22 0.04 0.00 -0.22 0.00 0.00 54.13 56.29 1mwb s LEU 79 Cb -0.05 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1mwb s LEU 79 CO 0.17 -0.51 0.14 0.54 -1.32 0.00 0.00 176.35 175.37 1mwb s ASN 80 N 0.74 2.84 0.46 3.68 4.22 -1.26 -4.61 114.94 121.01 1mwb s ASN 80 Ca 0.59 -1.71 0.16 0.00 -2.14 0.00 0.00 52.86 49.76 1mwb s ASN 80 Cb -0.34 0.56 1.13 0.00 1.28 0.00 0.00 41.25 43.88 1mwb s ASN 80 CO 0.33 -0.97 2.00 1.23 -2.04 0.00 0.00 177.10 177.65 1mwb h GLY 81 N 1.76 0.40 0.60 0.45 0.00 -1.99 -1.52 103.07 102.77 1mwb h GLY 81 Ca -0.34 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 46.95 1mwb h GLY 81 CO 0.55 0.07 0.45 -2.09 0.00 0.00 0.00 176.54 175.52 1mwb h GLU 82 N 0.29 0.76 -0.35 4.80 4.57 -1.99 0.12 114.58 122.79 1mwb h GLU 82 Ca 0.24 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1mwb h GLU 82 Cb 0.57 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1mwb h GLU 82 CO -0.05 0.50 0.07 0.45 -1.18 0.00 0.00 179.01 178.80 1mwb h HIS 83 N 0.79 0.60 -0.50 0.92 3.86 -1.68 -1.81 115.15 117.32 1mwb h HIS 83 Ca 0.36 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1mwb h HIS 83 Cb 0.28 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1mwb h HIS 83 CO -0.06 0.61 0.32 0.35 0.86 0.00 0.00 177.93 180.01 1mwb h PHE 84 N 0.41 0.61 -0.76 2.45 3.57 -1.22 -2.00 116.94 120.00 1mwb h PHE 84 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1mwb h PHE 84 Cb 0.32 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1mwb h PHE 84 CO 0.02 0.38 0.49 -0.44 -2.23 0.00 0.00 178.31 176.53 1mwb h ASP 85 N 0.66 0.89 -0.50 0.41 3.32 -0.63 -1.29 116.42 119.28 1mwb h ASP 85 Ca 0.19 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1mwb h ASP 85 Cb -0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1mwb h ASP 85 CO -0.05 0.65 0.24 0.00 -1.72 0.00 0.00 179.24 178.36 1mwb h ALA 86 N 1.50 0.64 -0.35 3.45 0.00 -0.63 0.41 119.26 124.29 1mwb h ALA 86 Ca 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 86 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mwb h ALA 86 CO -0.06 0.21 0.03 0.28 0.00 0.00 0.00 179.25 179.72 1mwb h VAL 87 N 0.66 1.25 -0.53 0.00 2.07 -0.91 -1.88 116.25 116.92 1mwb h VAL 87 Ca 0.17 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1mwb h VAL 87 Cb 0.13 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1mwb h VAL 87 CO -0.02 0.30 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1mwb h ALA 88 N 0.88 0.94 -0.67 1.67 0.00 -1.06 -2.72 119.26 118.30 1mwb h ALA 88 Ca 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1mwb h ALA 88 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 88 CO 0.01 0.63 0.33 1.49 0.00 0.00 0.00 179.25 181.72 1mwb h GLU 89 N 0.85 0.95 -0.66 0.00 4.22 -0.00 -1.67 114.58 118.26 1mwb h GLU 89 Ca 0.15 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1mwb h GLU 89 Cb 0.55 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1mwb h GLU 89 CO 0.03 0.72 0.43 -0.44 -2.18 0.00 0.00 179.01 177.58 1mwb h ASP 90 N 0.95 0.77 -0.55 1.04 3.32 -1.03 0.19 116.42 121.11 1mwb h ASP 90 Ca 0.23 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1mwb h ASP 90 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1mwb h ASP 90 CO -0.03 0.57 0.06 0.25 -1.72 0.00 0.00 179.24 178.37 1mwb h LEU 91 N 0.90 0.89 -0.89 1.55 5.85 -1.32 -2.32 115.31 119.97 1mwb h LEU 91 Ca 0.24 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1mwb h LEU 91 Cb -0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1mwb h LEU 91 CO -0.05 0.94 0.40 0.25 -0.34 0.00 0.00 178.44 179.64 1mwb h LEU 92 N 0.81 1.09 -0.80 2.25 5.85 -0.80 -2.61 115.31 121.09 1mwb h LEU 92 Ca 0.16 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1mwb h LEU 92 Cb 0.45 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1mwb h LEU 92 CO 0.02 0.92 0.01 0.00 -0.34 0.00 0.00 178.44 179.05 1mwb h ALA 93 N 1.25 1.00 -0.78 1.25 0.00 -0.75 -2.92 119.26 118.30 1mwb h ALA 93 Ca 0.29 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 93 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1mwb h ALA 93 CO -0.04 0.62 0.51 1.15 0.00 0.00 0.00 179.25 181.49 1mwb h THR 94 N 0.85 1.14 -0.58 0.00 2.02 -1.04 -1.95 112.91 113.36 1mwb h THR 94 Ca 0.16 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1mwb h THR 94 Cb 0.49 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1mwb h THR 94 CO 0.02 0.18 0.23 -0.07 0.37 0.00 0.00 175.52 176.25 1mwb h LEU 95 N 1.00 0.76 -0.94 2.58 3.38 -1.33 -2.42 115.31 118.33 1mwb h LEU 95 Ca 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1mwb h LEU 95 Cb -0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1mwb h LEU 95 CO -0.10 0.69 0.47 0.11 0.09 0.00 0.00 178.44 179.70 1mwb h LYS 96 N 0.82 1.22 -0.85 1.13 1.57 -1.21 -2.23 116.57 117.03 1mwb h LYS 96 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1mwb h LYS 96 Cb 0.17 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1mwb h LYS 96 CO -0.02 0.90 0.48 1.49 -0.57 0.00 0.00 179.45 181.73 1mwb h GLU 97 N 1.22 1.17 -0.12 3.15 4.81 -1.09 -1.41 114.58 122.31 1mwb h GLU 97 Ca 0.31 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1mwb h GLU 97 Cb 0.04 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1mwb h GLU 97 CO -0.05 0.84 -0.02 0.52 -0.73 0.00 0.00 179.01 179.57 1mwb h MET 98 N 1.18 0.16 0.00 1.92 2.86 -1.22 -3.46 114.93 116.37 1mwb h MET 98 Ca 0.30 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1mwb h MET 98 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1mwb h MET 98 CO -0.05 0.21 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1mwb n GLY 99 N -1.24 0.91 3.75 8.32 0.00 -0.53 -5.06 105.19 111.34 1mwb n GLY 99 Ca -0.01 -0.15 -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 2.20 0.38 1.61 1.01 -1.19 -4.90 120.40 117.52 1mwb s VAL 100 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 1mwb s VAL 100 Cb 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.15 1mwb s VAL 100 CO 0.00 0.03 0.97 -0.81 0.00 0.00 0.00 175.10 175.29 1mwb n PRO 101 N 1.96 1.28 -0.14 2.72 -0.04 -1.26 -4.73 135.00 134.79 1mwb n PRO 101 Ca 0.07 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 64.05 1mwb n PRO 101 Cb 0.38 -1.94 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 1.49 -0.04 0.00 0.00 175.50 176.95 1mwb h GLU 102 N 1.60 0.66 -0.52 0.54 4.57 -1.98 -1.13 114.58 118.32 1mwb h GLU 102 Ca -0.43 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 57.75 1mwb h GLU 102 Cb 1.34 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 1mwb h GLU 102 CO 0.57 0.44 0.29 0.22 -1.18 0.00 0.00 179.01 179.35 1mwb h ASP 103 N 0.68 0.46 -0.27 1.04 3.58 -2.00 0.16 116.42 120.07 1mwb h ASP 103 Ca 0.29 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.60 1mwb h ASP 103 Cb 0.25 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 1mwb h ASP 103 CO -0.09 0.32 -0.42 -0.07 -2.88 0.00 0.00 179.24 176.10 1mwb h LEU 104 N 0.58 0.83 -1.24 2.28 -0.00 -1.72 -3.00 115.31 113.04 1mwb h LEU 104 Ca 0.22 -0.52 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 1mwb h LEU 104 Cb 0.06 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 1mwb h LEU 104 CO -0.12 1.19 0.38 0.40 -0.00 0.00 0.00 178.44 180.29 1mwb h ILE 105 N 0.51 1.19 -0.71 1.22 2.04 -0.84 -1.83 117.51 119.09 1mwb h ILE 105 Ca 0.02 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1mwb h ILE 105 Cb 1.01 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1mwb h ILE 105 CO 0.10 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.78 1mwb h ALA 106 N 1.51 0.92 -0.44 1.87 0.00 -0.61 -1.70 119.26 120.81 1mwb h ALA 106 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 106 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1mwb h ALA 106 CO -0.04 0.50 -0.07 0.93 0.00 0.00 0.00 179.25 180.57 1mwb h GLU 107 N 1.00 0.76 -0.65 0.00 5.08 -1.27 -2.75 114.58 116.75 1mwb h GLU 107 Ca 0.24 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1mwb h GLU 107 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1mwb h GLU 107 CO -0.03 0.82 0.12 0.28 -1.00 0.00 0.00 179.01 179.20 1mwb h VAL 108 N 0.70 1.26 -0.51 3.13 2.07 -0.89 -2.58 116.25 119.43 1mwb h VAL 108 Ca 0.13 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1mwb h VAL 108 Cb 0.53 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1mwb h VAL 108 CO 0.03 0.37 0.17 0.00 0.02 0.00 0.00 177.57 178.16 1mwb h ALA 109 N 1.14 1.34 -0.19 1.67 0.00 -1.05 -2.29 119.26 119.88 1mwb h ALA 109 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 109 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1mwb h ALA 109 CO 0.01 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.55 1mwb h ALA 110 N 1.45 1.34 -0.30 0.00 0.00 -1.20 0.43 119.26 120.97 1mwb h ALA 110 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mwb h ALA 110 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 110 CO -0.01 0.45 0.15 0.28 0.00 0.00 0.00 179.25 180.12 1mwb h VAL 111 N 0.30 0.99 0.00 0.00 2.07 -1.18 -2.52 116.25 115.92 1mwb h VAL 111 Ca 0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1mwb h VAL 111 Cb 0.50 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mwb h VAL 111 CO 0.03 0.06 -0.61 0.00 0.02 0.00 0.00 177.57 177.07 1mwb n ALA 112 N -2.24 3.71 1.61 1.67 0.00 -1.13 -3.94 120.51 120.19 1mwb n ALA 112 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.11 1mwb n ALA 112 Cb 0.07 -1.06 0.38 0.00 0.00 0.00 0.00 19.45 18.85 1mwb n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwb n GLY 113 N 1.49 -0.81 3.43 0.00 0.00 0.15 -4.84 105.19 104.61 1mwb n GLY 113 Ca 0.05 -0.08 -0.51 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 -0.75 0.96 0.06 4.61 0.00 -1.22 -4.80 120.51 119.37 1mwb n ALA 114 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1mwb n ALA 114 Cb 0.04 -2.51 0.41 0.00 0.00 0.00 0.00 19.45 17.40 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 0.40 -0.35 0.00 0.11 -1.93 -2.02 132.00 140.45 1mwb h PRO 115 Ca -0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1mwb h PRO 115 Cb 1.33 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1mwb h PRO 115 CO 1.04 0.36 0.02 0.00 -0.21 0.00 0.00 178.00 179.21 1mwb h ALA 116 N 1.70 1.38 -0.95 -0.75 0.00 -1.99 -2.50 119.26 116.15 1mwb h ALA 116 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1mwb h ALA 116 Cb 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1mwb h ALA 116 CO -0.01 0.43 0.63 1.25 0.00 0.00 0.00 179.25 181.55 1mwb h HIS 117 N 0.51 1.18 -0.73 0.00 6.17 -1.74 -1.94 115.15 118.61 1mwb h HIS 117 Ca 0.11 0.03 0.07 0.00 0.71 0.00 0.00 60.37 61.29 1mwb h HIS 117 Cb 0.31 -0.40 -0.05 0.00 2.52 0.00 0.00 27.41 29.80 1mwb h HIS 117 CO 0.01 0.71 0.48 0.87 0.71 0.00 0.00 177.93 180.72 1mwb h LYS 118 N 1.25 0.74 -0.83 5.26 1.57 -1.47 -1.59 116.57 121.50 1mwb h LYS 118 Ca 0.36 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1mwb h LYS 118 Cb -0.07 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 1mwb h LYS 118 CO -0.09 0.49 0.52 0.00 -0.57 0.00 0.00 179.45 179.79 1mwb h ARG 119 N 0.76 0.95 -0.70 3.15 3.08 -1.39 0.70 114.38 120.93 1mwb h ARG 119 Ca 0.32 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 1mwb h ARG 119 Cb 0.26 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1mwb h ARG 119 CO -0.11 0.63 0.21 0.22 -1.07 0.00 0.00 179.97 179.85 1mwb h ASP 120 N 0.98 1.01 0.04 7.04 3.58 -1.32 0.33 116.42 128.08 1mwb h ASP 120 Ca 0.34 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1mwb h ASP 120 Cb 0.09 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1mwb h ASP 120 CO -0.14 0.94 -0.02 0.58 -2.88 0.00 0.00 179.24 177.72 1mwb h VAL 121 N 1.04 0.00 -0.74 2.25 2.07 -1.00 -3.39 116.25 116.48 1mwb h VAL 121 Ca 0.23 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1mwb h VAL 121 Cb 0.30 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1mwb h VAL 121 CO -0.01 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.74 1mwb h LEU 122 N -0.48 1.08 -1.63 2.57 3.38 0.26 -3.36 115.31 117.13 1mwb h LEU 122 Ca -0.01 -0.21 -0.41 0.00 0.09 0.00 0.00 57.88 57.35 1mwb h LEU 122 Cb 0.04 -0.28 0.07 0.00 0.09 0.00 0.00 40.66 40.58 1mwb h LEU 122 CO 0.01 1.00 -0.81 0.59 0.09 0.00 0.00 178.44 179.33 1mwb n ASN 123 N -4.26 -1.91 0.00 -0.43 3.02 0.12 -4.88 115.26 106.92 1mwb n ASN 123 Ca 0.06 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1mwb n ASN 123 Cb 0.23 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64