#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwb h THR 3 N 0.00 1.05 -0.84 0.44 2.02 -2.07 -0.93 112.91 112.58 1mwb h THR 3 Ca 0.00 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1mwb h THR 3 Cb 0.00 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.30 1mwb h THR 3 CO 0.00 0.19 0.55 0.25 0.37 0.00 0.00 175.52 176.87 1mwb h LEU 4 N 1.02 0.82 -1.16 2.58 6.46 -2.07 -0.93 115.31 122.03 1mwb h LEU 4 Ca 0.40 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.24 1mwb h LEU 4 Cb 0.22 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.92 1mwb h LEU 4 CO -0.15 0.53 0.59 0.22 -0.62 0.00 0.00 178.44 179.00 1mwb h TYR 5 N 0.93 1.02 -0.60 1.25 3.20 -1.63 -0.14 116.97 120.99 1mwb h TYR 5 Ca 0.36 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.32 1mwb h TYR 5 Cb 0.21 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1mwb h TYR 5 CO -0.00 0.49 0.40 1.49 -1.64 0.00 0.00 178.16 178.90 1mwb h GLU 6 N 0.96 0.53 -0.90 1.82 4.57 -1.15 -0.77 114.58 119.64 1mwb h GLU 6 Ca 0.41 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.63 1mwb h GLU 6 Cb 0.32 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1mwb h GLU 6 CO -0.17 0.35 0.58 -0.22 -1.18 0.00 0.00 179.01 178.37 1mwb h LYS 7 N 0.55 0.98 0.00 1.92 3.64 -1.02 0.94 116.57 123.58 1mwb h LYS 7 Ca 0.26 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1mwb h LYS 7 Cb 0.33 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mwb h LYS 7 CO -0.08 0.65 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.62 1mwb h LEU 8 N 1.01 0.00 0.00 5.20 3.38 -1.16 -3.46 115.31 120.28 1mwb h LEU 8 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1mwb h LEU 8 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mwb h LEU 8 CO -0.15 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1mwb n GLY 9 N -1.33 1.88 7.00 0.83 0.00 0.33 -4.69 105.19 109.21 1mwb n GLY 9 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1mwb n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 10 N -1.22 0.08 7.00 -0.02 0.00 -1.26 -4.92 105.19 104.86 1mwb n GLY 10 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1mwb n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mwb n THR 11 N -0.25 0.00 -0.31 2.61 -2.24 -1.26 -2.78 114.28 110.05 1mwb n THR 11 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1mwb n THR 11 Cb 0.00 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 68.73 1mwb n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mwb h THR 12 N 0.00 0.57 -0.98 4.28 1.03 -2.00 -0.86 112.91 114.96 1mwb h THR 12 Ca 0.00 -0.14 0.33 0.00 -0.01 0.00 0.00 66.41 66.59 1mwb h THR 12 Cb 0.00 0.12 -0.17 0.00 -1.07 0.00 0.00 68.15 67.03 1mwb h THR 12 CO 0.00 0.08 0.39 0.00 -0.01 0.00 0.00 175.52 175.97 1mwb h ALA 13 N 1.61 1.75 -0.39 0.00 0.00 -1.89 1.35 119.26 121.70 1mwb h ALA 13 Ca 0.56 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.64 1mwb h ALA 13 Cb 1.39 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1mwb h ALA 13 CO -0.27 -0.69 -0.12 0.28 0.00 0.00 0.00 179.25 178.45 1mwb h VAL 14 N 0.12 1.28 -0.98 0.00 2.07 -0.97 -2.90 116.25 114.87 1mwb h VAL 14 Ca 0.72 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1mwb h VAL 14 Cb 1.69 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1mwb h VAL 14 CO -0.74 0.41 0.65 -0.78 0.02 0.00 0.00 177.57 177.12 1mwb h ASP 15 N 0.58 1.08 -0.67 0.57 3.58 0.16 -1.69 116.42 120.03 1mwb h ASP 15 Ca 0.10 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1mwb h ASP 15 Cb 0.65 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1mwb h ASP 15 CO 0.04 0.75 0.36 -0.07 -2.88 0.00 0.00 179.24 177.45 1mwb h LEU 16 N 1.26 0.86 0.05 2.28 3.38 -0.57 0.51 115.31 123.08 1mwb h LEU 16 Ca 0.38 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1mwb h LEU 16 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1mwb h LEU 16 CO -0.11 0.70 -0.02 0.00 0.09 0.00 0.00 178.44 179.10 1mwb h ALA 17 N 1.44 -0.06 -0.31 1.53 0.00 -1.13 -2.42 119.26 118.30 1mwb h ALA 17 Ca 0.24 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1mwb h ALA 17 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mwb h ALA 17 CO -0.04 -0.38 -0.32 0.28 0.00 0.00 0.00 179.25 178.80 1mwb h VAL 18 N -0.38 1.29 -0.62 0.00 2.07 -1.23 -2.73 116.25 114.66 1mwb h VAL 18 Ca -0.01 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.09 1mwb h VAL 18 Cb 0.34 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1mwb h VAL 18 CO 0.01 0.48 0.30 -0.78 0.02 0.00 0.00 177.57 177.61 1mwb h ASP 19 N 0.53 0.41 -0.36 0.57 3.58 -0.01 0.12 116.42 121.27 1mwb h ASP 19 Ca 0.05 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1mwb h ASP 19 Cb 0.89 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1mwb h ASP 19 CO 0.08 0.26 0.08 0.50 -2.88 0.00 0.00 179.24 177.28 1mwb h LYS 20 N 0.56 0.58 -0.92 0.28 1.63 -1.43 -2.85 116.57 114.42 1mwb h LYS 20 Ca 0.29 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1mwb h LYS 20 Cb 0.25 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 1mwb h LYS 20 CO -0.22 0.63 0.61 0.35 -3.45 0.00 0.00 179.45 177.38 1mwb h PHE 21 N 0.43 1.15 -0.77 1.91 3.57 -1.06 -2.36 116.94 119.81 1mwb h PHE 21 Ca 0.11 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1mwb h PHE 21 Cb 0.32 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1mwb h PHE 21 CO 0.02 0.72 0.47 -0.92 -2.23 0.00 0.00 178.31 176.37 1mwb h TYR 22 N 1.24 0.87 -0.42 0.41 3.20 -0.59 -1.75 116.97 119.92 1mwb h TYR 22 Ca 0.34 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.17 1mwb h TYR 22 Cb -0.13 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.84 1mwb h TYR 22 CO -0.01 0.45 -0.00 0.93 -1.64 0.00 0.00 178.16 177.89 1mwb h GLU 23 N 0.87 0.68 -0.81 1.82 5.08 -1.21 -2.76 114.58 118.26 1mwb h GLU 23 Ca 0.33 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1mwb h GLU 23 Cb 0.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1mwb h GLU 23 CO -0.16 0.70 0.52 0.00 -1.00 0.00 0.00 179.01 179.07 1mwb h ARG 24 N 0.65 1.08 -0.16 2.33 3.08 -0.95 0.11 114.38 120.51 1mwb h ARG 24 Ca 0.13 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1mwb h ARG 24 Cb 0.41 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1mwb h ARG 24 CO 0.02 0.73 0.06 0.28 -1.07 0.00 0.00 179.97 179.99 1mwb h VAL 25 N 1.10 1.15 -0.48 2.04 2.07 -1.24 -1.23 116.25 119.68 1mwb h VAL 25 Ca 0.29 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1mwb h VAL 25 Cb -0.10 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1mwb h VAL 25 CO -0.06 0.14 -0.03 -0.07 0.02 0.00 0.00 177.57 177.57 1mwb h LEU 26 N 0.10 0.79 -1.41 2.57 3.38 -1.43 -2.52 115.31 116.78 1mwb h LEU 26 Ca 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1mwb h LEU 26 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1mwb h LEU 26 CO -0.00 0.87 0.18 -0.61 0.09 0.00 0.00 178.44 178.97 1mwb h GLN 27 N 0.75 0.58 -6.41 1.13 5.75 -0.72 -3.39 115.11 112.81 1mwb h GLN 27 Ca 0.14 -0.07 -0.54 0.00 -0.15 0.00 0.00 58.65 58.03 1mwb h GLN 27 Cb 0.50 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.87 1mwb h GLN 27 CO 0.03 0.47 1.06 0.34 -2.65 0.00 0.00 178.83 178.07 1mwb s ASP 28 N -6.67 6.19 0.42 -0.69 2.15 -0.49 -4.86 116.67 112.73 1mwb s ASP 28 Ca -0.08 -0.19 0.12 0.00 0.43 0.00 0.00 52.55 52.83 1mwb s ASP 28 Cb 0.17 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 41.15 1mwb s ASP 28 CO 0.75 -1.76 1.97 -0.78 -0.17 0.00 0.00 175.17 175.18 1mwb h ASP 29 N 10.23 0.12 -1.00 -0.34 3.58 -1.82 -0.58 116.42 126.60 1mwb h ASP 29 Ca -0.27 -0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.27 1mwb h ASP 29 Cb 1.06 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.00 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 0.12 0.99 -0.01 0.28 2.47 -1.93 -2.72 114.38 113.58 1mwb h ARG 30 Ca 0.03 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1mwb h ARG 30 Cb 0.31 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1mwb h ARG 30 CO 0.02 0.65 -0.23 0.44 0.56 0.00 0.00 179.97 181.41 1mwb n ILE 31 N -4.59 0.00 -0.10 2.04 -5.35 -1.10 -4.55 119.36 105.72 1mwb n ILE 31 Ca 0.18 -0.39 0.11 0.00 -0.27 0.00 0.00 62.75 62.38 1mwb n ILE 31 Cb 0.33 1.16 0.47 0.00 -1.74 0.00 0.00 39.64 39.86 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 1.47 0.46 -0.80 6.28 3.64 -0.77 -0.85 116.57 126.00 1mwb h LYS 32 Ca 0.00 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1mwb h LYS 32 Cb 0.43 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1mwb h LYS 32 CO 0.00 0.30 0.52 1.12 -2.27 0.00 0.00 179.45 179.12 1mwb h HIS 33 N 0.47 0.81 -0.57 1.91 2.07 -1.80 0.43 115.15 118.47 1mwb h HIS 33 Ca 0.28 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.78 1mwb h HIS 33 Cb 0.48 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 30.17 1mwb h HIS 33 CO -0.00 0.39 0.17 0.74 -3.07 0.00 0.00 177.93 176.16 1mwb h PHE 34 N 0.77 0.87 -0.58 6.12 0.04 -1.48 -2.14 116.94 120.54 1mwb h PHE 34 Ca 0.36 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1mwb h PHE 34 Cb 0.40 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1mwb h PHE 34 CO -0.00 0.71 0.00 1.19 -0.60 0.00 0.00 178.31 179.61 1mwb n PHE 35 N -4.29 0.78 -0.27 -0.55 3.72 0.14 -4.39 117.46 112.60 1mwb n PHE 35 Ca 0.04 -0.39 0.05 0.00 -0.05 0.00 0.00 57.45 57.11 1mwb n PHE 35 Cb 0.20 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.03 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 4.13 1.59 -2.62 4.37 0.00 0.44 -3.34 119.26 123.84 1mwb h ALA 36 Ca 0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1mwb h ALA 36 Cb 0.81 -0.23 -0.39 0.00 0.00 0.00 0.00 17.79 17.97 1mwb h ALA 36 CO 0.00 0.26 -0.85 -0.51 0.00 0.00 0.00 179.25 178.16 1mwb s ASP 37 N -6.04 2.83 -0.13 0.00 1.01 -1.26 -5.09 116.67 108.00 1mwb s ASP 37 Ca -0.11 -2.43 -0.12 0.00 0.71 0.00 0.00 52.55 50.60 1mwb s ASP 37 Cb 0.20 -0.52 0.03 0.00 1.01 0.00 0.00 42.92 43.64 1mwb s ASP 37 CO 0.79 -0.28 0.33 -0.69 0.21 0.00 0.00 175.17 175.54 1mwb s VAL 38 N 0.75 0.00 0.22 -1.27 1.01 -1.26 -5.12 120.40 114.73 1mwb s VAL 38 Ca 0.21 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1mwb s VAL 38 Cb -0.18 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 1mwb s VAL 38 CO -0.03 -0.00 1.46 1.51 0.00 0.00 0.00 175.10 178.04 1mwb s ASP 39 N 0.17 6.66 0.43 3.32 -4.77 -1.26 -4.88 116.67 116.34 1mwb s ASP 39 Ca -0.00 2.63 0.12 0.00 -3.30 0.00 0.00 52.55 52.00 1mwb s ASP 39 Cb -0.02 -2.61 1.00 0.00 -1.09 0.00 0.00 42.92 40.19 1mwb s ASP 39 CO 0.00 -0.72 2.00 -0.03 0.70 0.00 0.00 175.17 177.13 1mwb h MET 40 N 5.51 0.42 -0.40 2.11 1.85 -2.00 -2.03 114.93 120.38 1mwb h MET 40 Ca -0.45 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 58.62 1mwb h MET 40 Cb 1.21 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.13 1mwb h MET 40 CO 0.81 0.28 0.26 0.00 -0.40 0.00 0.00 176.91 177.86 1mwb h ALA 41 N 1.71 0.51 -0.73 0.39 0.00 -2.01 -1.91 119.26 117.23 1mwb h ALA 41 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1mwb h ALA 41 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1mwb h ALA 41 CO -0.06 -0.04 0.31 -0.22 0.00 0.00 0.00 179.25 179.23 1mwb h LYS 42 N 0.53 1.08 -0.89 0.00 3.64 -1.76 -2.67 116.57 116.50 1mwb h LYS 42 Ca 0.15 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1mwb h LYS 42 Cb -0.05 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 1mwb h LYS 42 CO -0.04 0.88 0.59 1.96 -2.27 0.00 0.00 179.45 180.57 1mwb h GLN 43 N 1.04 1.15 -0.84 1.90 4.20 -1.15 -0.98 115.11 120.43 1mwb h GLN 43 Ca 0.25 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1mwb h GLN 43 Cb 0.18 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.64 1mwb h GLN 43 CO -0.02 0.76 0.52 -0.09 -0.67 0.00 0.00 178.83 179.33 1mwb h ARG 44 N 1.19 0.92 -0.16 1.46 2.43 -1.00 0.10 114.38 119.33 1mwb h ARG 44 Ca 0.33 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1mwb h ARG 44 Cb -0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.24 1mwb h ARG 44 CO -0.08 0.61 -0.43 0.00 -1.51 0.00 0.00 179.97 178.56 1mwb h ALA 45 N 1.40 0.26 -0.12 2.80 0.00 -1.33 -2.27 119.26 120.01 1mwb h ALA 45 Ca 0.37 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 45 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1mwb h ALA 45 CO -0.17 0.39 0.07 1.25 0.00 0.00 0.00 179.25 180.79 1mwb h HIS 46 N 0.21 0.16 -0.83 0.00 -0.00 -0.75 -1.33 115.15 112.61 1mwb h HIS 46 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1mwb h HIS 46 Cb 1.04 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.36 1mwb h HIS 46 CO 0.10 0.15 0.39 1.96 -0.00 0.00 0.00 177.93 180.53 1mwb h GLN 47 N 0.12 1.20 -0.61 5.26 1.08 -0.87 -1.03 115.11 120.26 1mwb h GLN 47 Ca 0.04 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1mwb h GLN 47 Cb 0.04 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1mwb h GLN 47 CO -0.01 0.93 0.35 -0.22 -0.95 0.00 0.00 178.83 178.94 1mwb h LYS 48 N 1.19 0.85 -0.37 1.46 3.64 -1.13 -1.99 116.57 120.21 1mwb h LYS 48 Ca 0.28 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1mwb h LYS 48 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1mwb h LYS 48 CO -0.03 0.63 -0.21 0.00 -2.27 0.00 0.00 179.45 177.56 1mwb h ALA 49 N 1.17 0.93 0.11 5.00 0.00 -0.89 -2.31 119.26 123.27 1mwb h ALA 49 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1mwb h ALA 49 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1mwb h ALA 49 CO -0.04 0.62 -0.05 0.35 0.00 0.00 0.00 179.25 180.13 1mwb h PHE 50 N 0.64 -0.14 -0.78 0.00 3.57 -0.76 -0.79 116.94 118.68 1mwb h PHE 50 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1mwb h PHE 50 Cb 0.70 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1mwb h PHE 50 CO 0.03 -0.06 0.46 1.25 -2.23 0.00 0.00 178.31 177.76 1mwb h LEU 51 N -0.17 0.96 -0.64 0.59 6.46 -1.34 -1.93 115.31 119.23 1mwb h LEU 51 Ca -0.02 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1mwb h LEU 51 Cb 0.14 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1mwb h LEU 51 CO 0.02 0.76 0.39 0.74 -0.62 0.00 0.00 178.44 179.73 1mwb h THR 52 N 1.08 1.18 -0.68 1.05 2.02 -1.17 -0.33 112.91 116.07 1mwb h THR 52 Ca 0.28 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1mwb h THR 52 Cb -0.01 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1mwb h THR 52 CO -0.05 0.19 0.20 0.22 0.37 0.00 0.00 175.52 176.45 1mwb h TYR 53 N 0.86 1.10 -0.46 3.16 3.20 -0.79 -1.69 116.97 122.35 1mwb h TYR 53 Ca 0.23 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1mwb h TYR 53 Cb -0.03 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 1mwb h TYR 53 CO -0.02 0.89 -0.24 0.00 -1.64 0.00 0.00 178.16 177.15 1mwb h ALA 54 N 1.09 0.65 -0.07 1.82 0.00 -1.04 2.22 119.26 123.93 1mwb h ALA 54 Ca 0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1mwb h ALA 54 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 54 CO -0.00 0.67 -0.32 0.74 0.00 0.00 0.00 179.25 180.33 1mwb h PHE 55 N 0.83 0.15 0.00 0.00 -1.00 -0.90 -3.40 116.94 112.62 1mwb h PHE 55 Ca 0.10 -0.03 -0.19 0.00 2.81 0.00 0.00 57.97 60.66 1mwb h PHE 55 Cb 0.83 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 40.22 1mwb h PHE 55 CO 0.06 0.44 -0.27 0.41 -1.61 0.00 0.00 178.31 177.34 1mwb n GLY 56 N -0.49 -0.16 3.96 -1.45 0.00 -0.65 -5.02 105.19 101.37 1mwb n GLY 56 Ca -0.01 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 1mwb n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 57 N 0.50 -0.88 3.39 -0.02 0.00 0.75 -4.78 105.19 104.14 1mwb n GLY 57 Ca 0.02 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 1mwb n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mwb s THR 58 N -3.74 2.04 0.31 2.61 -4.23 -1.26 -4.99 115.64 106.38 1mwb s THR 58 Ca 0.74 -2.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1mwb s THR 58 Cb -0.03 -2.07 0.27 0.00 1.34 0.00 0.00 72.50 72.01 1mwb s THR 58 CO 0.51 -0.41 1.97 0.44 -0.54 0.00 0.00 174.62 176.59 1mwb h ASP 59 N 2.73 0.89 -4.29 3.99 3.32 -1.99 -3.42 116.42 117.65 1mwb h ASP 59 Ca -0.41 -0.02 -0.50 0.00 0.02 0.00 0.00 57.03 56.12 1mwb h ASP 59 Cb 1.23 -0.22 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 1mwb h ASP 59 CO 0.57 0.63 -0.81 -0.54 -1.72 0.00 0.00 179.24 177.37 1mwb s LYS 60 N -5.88 1.15 -0.04 3.56 3.01 -1.26 -4.29 119.74 115.99 1mwb s LYS 60 Ca -0.11 -0.77 0.04 0.00 -1.01 0.00 0.00 55.97 54.12 1mwb s LYS 60 Cb 0.18 -1.18 -0.00 0.00 -1.01 0.00 0.00 37.83 35.82 1mwb s LYS 60 CO 0.79 0.30 -0.15 -0.47 0.51 0.00 0.00 175.35 176.33 1mwb s TYR 61 N -0.72 1.51 -0.27 3.18 5.04 -1.26 -5.11 117.35 119.71 1mwb s TYR 61 Ca 0.04 -0.41 -0.23 0.00 -2.44 0.00 0.00 57.07 54.03 1mwb s TYR 61 Cb -0.08 -1.02 -0.00 0.00 0.35 0.00 0.00 41.96 41.21 1mwb s TYR 61 CO 0.01 -0.14 0.79 0.16 -1.34 0.00 0.00 175.55 175.03 1mwb s ASP 62 N 0.04 6.72 0.00 4.32 1.47 -1.26 -4.86 116.67 123.10 1mwb s ASP 62 Ca -0.03 0.82 0.00 0.00 1.18 0.00 0.00 52.55 54.52 1mwb s ASP 62 Cb -0.10 -2.41 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1mwb s ASP 62 CO 0.01 -0.55 0.00 0.61 0.68 0.00 0.00 175.17 175.93 1mwb n GLY 63 N 4.02 -1.04 0.40 2.12 0.00 -1.26 -5.01 105.19 104.42 1mwb n GLY 63 Ca 0.04 0.65 0.20 0.00 0.00 0.00 0.00 46.02 46.92 1mwb n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwb h ARG 64 N 0.00 0.23 -0.77 1.61 2.43 -2.02 0.18 114.38 116.05 1mwb h ARG 64 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1mwb h ARG 64 Cb 0.00 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1mwb h ARG 64 CO 0.00 0.15 0.51 -0.92 -1.51 0.00 0.00 179.97 178.20 1mwb h TYR 65 N 0.24 0.84 -0.46 2.20 3.20 -1.98 -0.38 116.97 120.64 1mwb h TYR 65 Ca 0.39 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.33 1mwb h TYR 65 Cb 1.16 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1mwb h TYR 65 CO -0.00 0.44 0.20 0.52 -1.64 0.00 0.00 178.16 177.68 1mwb h MET 66 N 0.83 0.39 0.02 1.82 2.86 -1.02 -0.45 114.93 119.38 1mwb h MET 66 Ca 0.33 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.70 1mwb h MET 66 Cb 0.24 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1mwb h MET 66 CO -0.11 0.26 -1.02 0.07 1.06 0.00 0.00 176.91 177.17 1mwb h ARG 67 N 0.40 0.48 -0.79 1.72 0.11 -1.52 -2.36 114.38 112.42 1mwb h ARG 67 Ca 0.21 -0.55 0.08 0.00 0.10 0.00 0.00 59.98 59.82 1mwb h ARG 67 Cb 0.16 0.16 -0.07 0.00 1.11 0.00 0.00 29.97 31.33 1mwb h ARG 67 CO -0.18 1.19 0.45 1.49 0.10 0.00 0.00 179.97 183.02 1mwb h GLU 68 N 0.26 0.76 0.09 0.08 4.57 -0.64 1.50 114.58 121.19 1mwb h GLU 68 Ca -0.11 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1mwb h GLU 68 Cb 1.67 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1mwb h GLU 68 CO 0.18 0.50 -0.04 0.00 -1.18 0.00 0.00 179.01 178.47 1mwb h ALA 69 N 1.42 -0.12 -0.50 2.92 0.00 -1.13 -3.17 119.26 118.68 1mwb h ALA 69 Ca 0.37 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 69 Cb 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mwb h ALA 69 CO -0.23 -0.21 0.03 0.45 0.00 0.00 0.00 179.25 179.30 1mwb h HIS 70 N -0.84 0.85 -0.75 0.00 3.86 -1.22 -2.87 115.15 114.18 1mwb h HIS 70 Ca -0.01 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1mwb h HIS 70 Cb 0.58 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1mwb h HIS 70 CO 0.12 0.77 0.37 1.57 0.86 0.00 0.00 177.93 181.62 1mwb h LYS 71 N 0.76 1.07 -0.65 2.45 2.10 0.20 -1.47 116.57 121.04 1mwb h LYS 71 Ca 0.15 -0.15 0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1mwb h LYS 71 Cb 0.41 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1mwb h LYS 71 CO 0.01 0.82 0.43 0.93 -2.00 0.00 0.00 179.45 179.64 1mwb h GLU 72 N 1.07 0.82 -0.49 0.07 5.08 -1.48 -0.77 114.58 118.87 1mwb h GLU 72 Ca 0.26 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1mwb h GLU 72 Cb 0.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1mwb h GLU 72 CO -0.03 0.54 0.17 -0.07 -1.00 0.00 0.00 179.01 178.61 1mwb h LEU 73 N 0.84 0.66 -1.35 1.33 3.38 -1.21 1.23 115.31 120.19 1mwb h LEU 73 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1mwb h LEU 73 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1mwb h LEU 73 CO -0.06 0.62 0.06 0.58 0.09 0.00 0.00 178.44 179.73 1mwb h VAL 74 N 0.71 1.17 0.00 1.22 2.07 -0.78 0.52 116.25 121.16 1mwb h VAL 74 Ca 0.17 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1mwb h VAL 74 Cb 0.19 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1mwb h VAL 74 CO -0.01 0.22 -1.26 -0.62 0.02 0.00 0.00 177.57 175.92 1mwb n GLU 75 N -4.34 0.51 -0.23 1.57 1.02 -0.84 -3.09 120.64 115.25 1mwb n GLU 75 Ca 0.02 0.21 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 1mwb n GLU 75 Cb 0.19 -1.39 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1mwb n GLU 75 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1mwb h ASN 76 N -0.94 0.75 0.00 1.62 2.35 0.14 -3.16 115.58 116.34 1mwb h ASN 76 Ca -0.14 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1mwb h ASN 76 Cb 1.08 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1mwb h ASN 76 CO -0.08 0.55 -1.35 1.41 -1.65 0.00 0.00 177.43 176.30 1mwb n HIS 77 N -4.63 0.00 -2.56 1.19 8.25 -0.70 -5.01 115.22 111.76 1mwb n HIS 77 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1mwb n HIS 77 Cb 0.02 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 1.42 0.42 3.73 -1.41 0.00 0.15 -4.96 105.19 104.54 1mwb n GLY 78 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.79 4.42 0.39 0.99 2.96 0.76 -4.92 118.68 120.49 1mwb s LEU 79 Ca 0.07 1.54 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 1mwb s LEU 79 Cb -0.03 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1mwb s LEU 79 CO 0.18 -0.09 0.12 0.54 -1.32 0.00 0.00 176.35 175.78 1mwb s ASN 80 N 0.33 2.62 0.54 3.68 4.22 -1.26 -4.26 114.94 120.80 1mwb s ASN 80 Ca 0.44 -1.62 0.23 0.00 -2.14 0.00 0.00 52.86 49.76 1mwb s ASN 80 Cb -0.21 0.41 1.39 0.00 1.28 0.00 0.00 41.25 44.12 1mwb s ASN 80 CO 0.25 -0.88 2.06 1.23 -2.04 0.00 0.00 177.10 177.72 1mwb h GLY 81 N 1.87 0.00 0.74 0.45 0.00 -1.98 -1.31 103.07 102.85 1mwb h GLY 81 Ca -0.36 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.03 1mwb h GLY 81 CO 0.58 0.00 0.59 0.83 0.00 0.00 0.00 176.54 178.54 1mwb h GLU 82 N 0.00 1.04 -0.27 4.80 5.08 -1.99 0.50 114.58 123.74 1mwb h GLU 82 Ca 0.15 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1mwb h GLU 82 Cb 0.62 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1mwb h GLU 82 CO -0.00 0.69 -0.05 0.45 -1.00 0.00 0.00 179.01 179.10 1mwb h HIS 83 N 1.07 0.57 -0.44 4.33 3.86 -1.65 -2.13 115.15 120.76 1mwb h HIS 83 Ca 0.40 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1mwb h HIS 83 Cb 0.16 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1mwb h HIS 83 CO -0.02 0.70 0.28 0.35 0.86 0.00 0.00 177.93 180.11 1mwb h PHE 84 N 0.27 0.56 -0.93 2.45 3.57 -1.20 -2.44 116.94 119.23 1mwb h PHE 84 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1mwb h PHE 84 Cb 0.51 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1mwb h PHE 84 CO 0.05 0.37 0.62 0.22 -2.23 0.00 0.00 178.31 177.33 1mwb h ASP 85 N 0.60 1.06 -0.72 0.41 3.58 0.04 -1.51 116.42 119.88 1mwb h ASP 85 Ca 0.16 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1mwb h ASP 85 Cb -0.05 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 1mwb h ASP 85 CO -0.03 0.77 0.38 0.00 -2.88 0.00 0.00 179.24 177.48 1mwb h ALA 86 N 1.42 0.92 -0.52 -0.78 0.00 -0.93 -1.18 119.26 118.20 1mwb h ALA 86 Ca 0.34 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1mwb h ALA 86 Cb -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1mwb h ALA 86 CO -0.08 0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.81 1mwb h VAL 87 N 0.99 1.27 -0.46 0.00 2.07 -1.02 -2.46 116.25 116.64 1mwb h VAL 87 Ca 0.25 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1mwb h VAL 87 Cb 0.05 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1mwb h VAL 87 CO -0.04 0.43 0.19 0.00 0.02 0.00 0.00 177.57 178.18 1mwb h ALA 88 N 0.91 0.60 -0.50 1.67 0.00 -0.96 -2.54 119.26 118.45 1mwb h ALA 88 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 88 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1mwb h ALA 88 CO 0.05 0.19 0.19 0.93 0.00 0.00 0.00 179.25 180.61 1mwb h GLU 89 N 0.60 0.72 -0.97 0.00 5.08 -1.16 -2.18 114.58 116.67 1mwb h GLU 89 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1mwb h GLU 89 Cb 0.18 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1mwb h GLU 89 CO -0.01 0.60 0.61 -0.44 -1.00 0.00 0.00 179.01 178.77 1mwb h ASP 90 N 0.71 1.14 -0.64 1.42 3.32 -1.04 -2.02 116.42 119.31 1mwb h ASP 90 Ca 0.17 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1mwb h ASP 90 Cb 0.16 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1mwb h ASP 90 CO -0.01 0.85 0.27 0.25 -1.72 0.00 0.00 179.24 178.88 1mwb h LEU 91 N 1.33 0.87 -0.93 1.55 5.85 -1.07 -2.58 115.31 120.34 1mwb h LEU 91 Ca 0.35 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1mwb h LEU 91 Cb -0.10 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1mwb h LEU 91 CO -0.07 0.80 0.43 -0.07 -0.34 0.00 0.00 178.44 179.18 1mwb h LEU 92 N 0.90 1.07 -1.04 2.25 3.38 -1.17 -2.38 115.31 118.32 1mwb h LEU 92 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mwb h LEU 92 Cb 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1mwb h LEU 92 CO -0.02 0.89 0.38 0.00 0.09 0.00 0.00 178.44 179.78 1mwb h ALA 93 N 1.28 1.26 -0.63 1.53 0.00 -1.05 -2.50 119.26 119.15 1mwb h ALA 93 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1mwb h ALA 93 Cb 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1mwb h ALA 93 CO -0.04 0.58 0.37 1.15 0.00 0.00 0.00 179.25 181.31 1mwb h THR 94 N 1.06 1.19 -0.57 0.00 2.02 -1.06 -2.47 112.91 113.08 1mwb h THR 94 Ca 0.26 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1mwb h THR 94 Cb 0.07 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1mwb h THR 94 CO -0.04 0.20 0.23 -0.07 0.37 0.00 0.00 175.52 176.21 1mwb h LEU 95 N 0.85 0.75 -0.91 2.58 3.38 -1.22 -2.37 115.31 118.37 1mwb h LEU 95 Ca 0.22 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1mwb h LEU 95 Cb -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1mwb h LEU 95 CO -0.04 0.67 0.58 0.11 0.09 0.00 0.00 178.44 179.84 1mwb h LYS 96 N 0.81 1.03 -0.55 1.13 1.57 -1.07 -0.74 116.57 118.75 1mwb h LYS 96 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1mwb h LYS 96 Cb 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1mwb h LYS 96 CO -0.02 0.68 -0.08 1.49 -0.57 0.00 0.00 179.45 180.95 1mwb h GLU 97 N 1.06 1.01 -0.26 3.15 4.22 -1.32 -2.67 114.58 119.77 1mwb h GLU 97 Ca 0.39 -0.35 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 1mwb h GLU 97 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1mwb h GLU 97 CO -0.16 1.04 0.06 0.52 -2.18 0.00 0.00 179.01 178.28 1mwb h MET 98 N 0.91 0.38 0.00 1.92 2.86 -0.89 -3.46 114.93 116.64 1mwb h MET 98 Ca 0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1mwb h MET 98 Cb 0.63 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1mwb h MET 98 CO 0.04 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1mwb n GLY 99 N -1.18 1.21 3.75 8.32 0.00 -0.39 -5.06 105.19 111.84 1mwb n GLY 99 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1mwb n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mwb s VAL 100 N -2.00 2.72 0.36 1.61 1.01 -1.13 -4.92 120.40 118.05 1mwb s VAL 100 Ca 0.00 0.62 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 1mwb s VAL 100 Cb 0.00 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 1mwb s VAL 100 CO 0.00 0.11 0.85 -0.81 0.00 0.00 0.00 175.10 175.25 1mwb n PRO 101 N 2.14 1.05 -0.04 2.72 -0.04 -1.26 -4.80 135.00 134.77 1mwb n PRO 101 Ca 0.06 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1mwb n PRO 101 Cb 0.41 -1.76 0.44 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.45 0.52 -0.70 0.54 4.57 -2.00 -2.31 114.58 116.65 1mwb h GLU 102 Ca -0.41 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 57.81 1mwb h GLU 102 Cb 1.36 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.77 1mwb h GLU 102 CO 0.57 0.35 0.39 0.22 -1.18 0.00 0.00 179.01 179.35 1mwb h ASP 103 N 0.54 0.57 -0.15 1.04 3.58 -2.02 -2.19 116.42 117.79 1mwb h ASP 103 Ca 0.20 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.52 1mwb h ASP 103 Cb 0.11 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1mwb h ASP 103 CO -0.05 0.36 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.13 1mwb h LEU 104 N 0.70 0.77 -0.87 2.28 3.38 -1.77 -3.04 115.31 116.76 1mwb h LEU 104 Ca 0.32 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1mwb h LEU 104 Cb 0.22 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1mwb h LEU 104 CO -0.20 1.11 0.48 0.40 0.09 0.00 0.00 178.44 180.32 1mwb h ILE 105 N 0.56 0.79 -0.45 1.22 2.04 -1.17 0.72 117.51 121.23 1mwb h ILE 105 Ca 0.03 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1mwb h ILE 105 Cb 1.02 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1mwb h ILE 105 CO 0.10 0.13 0.01 0.00 0.00 0.00 0.00 178.15 178.39 1mwb h ALA 106 N 1.53 0.60 -0.41 1.87 0.00 -1.43 -2.16 119.26 119.26 1mwb h ALA 106 Ca 0.46 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 106 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 106 CO -0.32 0.38 -0.24 0.93 0.00 0.00 0.00 179.25 180.00 1mwb h GLU 107 N 0.63 0.83 -0.75 0.00 5.08 -1.01 -2.69 114.58 116.67 1mwb h GLU 107 Ca 0.13 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1mwb h GLU 107 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1mwb h GLU 107 CO 0.02 0.98 0.36 0.28 -1.00 0.00 0.00 179.01 179.64 1mwb h VAL 108 N 0.71 1.24 -0.31 3.13 2.07 0.51 -2.30 116.25 121.30 1mwb h VAL 108 Ca 0.09 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1mwb h VAL 108 Cb 0.77 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1mwb h VAL 108 CO 0.06 0.29 -0.09 0.00 0.02 0.00 0.00 177.57 177.85 1mwb h ALA 109 N 1.18 1.27 0.00 1.67 0.00 -1.28 -2.43 119.26 119.67 1mwb h ALA 109 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1mwb h ALA 109 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 109 CO -0.03 0.49 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 1mwb h ALA 110 N 1.43 1.60 -0.41 0.00 0.00 -1.08 2.00 119.26 122.80 1mwb h ALA 110 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 110 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1mwb h ALA 110 CO 0.02 0.28 0.22 0.28 0.00 0.00 0.00 179.25 180.06 1mwb h VAL 111 N 0.00 1.01 0.00 0.00 2.07 -1.12 -3.08 116.25 115.12 1mwb h VAL 111 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1mwb h VAL 111 Cb 0.41 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1mwb h VAL 111 CO 0.03 0.08 -1.90 0.00 0.02 0.00 0.00 177.57 175.80 1mwb n ALA 112 N -2.27 2.88 0.24 1.67 0.00 -1.09 -4.28 120.51 117.66 1mwb n ALA 112 Ca 0.02 -0.50 0.14 0.00 0.00 0.00 0.00 53.44 53.10 1mwb n ALA 112 Cb 0.08 -0.72 0.77 0.00 0.00 0.00 0.00 19.45 19.58 1mwb n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mwb h GLY 113 N 3.88 0.00 -7.02 0.00 0.00 0.33 -3.43 103.07 96.83 1mwb h GLY 113 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1mwb h GLY 113 CO 0.00 0.00 1.43 0.00 0.00 0.00 0.00 176.54 177.97 1mwb n ALA 114 N -1.85 0.87 0.31 3.60 0.00 -1.19 -4.78 120.51 117.47 1mwb n ALA 114 Ca -0.02 -0.06 0.19 0.00 0.00 0.00 0.00 53.44 53.54 1mwb n ALA 114 Cb 0.13 -2.48 1.02 0.00 0.00 0.00 0.00 19.45 18.12 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 12.08 0.00 -0.94 0.00 0.11 -1.95 -2.24 132.00 139.07 1mwb h PRO 115 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1mwb h PRO 115 Cb 1.34 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 1mwb h PRO 115 CO 1.06 0.02 0.59 0.00 -0.21 0.00 0.00 178.00 179.46 1mwb h ALA 116 N 1.98 1.27 -0.75 -0.75 0.00 -1.92 -2.09 119.26 117.00 1mwb h ALA 116 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 116 Cb 0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1mwb h ALA 116 CO 0.00 0.64 0.33 1.25 0.00 0.00 0.00 179.25 181.47 1mwb h HIS 117 N 1.29 1.11 -0.34 0.00 -0.00 -1.58 -2.23 115.15 113.39 1mwb h HIS 117 Ca 0.34 -0.07 0.09 0.00 -0.00 0.00 0.00 60.37 60.73 1mwb h HIS 117 Cb -0.10 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 26.96 1mwb h HIS 117 CO 0.00 0.83 0.24 0.87 -0.00 0.00 0.00 177.93 179.87 1mwb h LYS 118 N 1.08 0.04 -0.79 5.26 1.57 -1.46 -1.84 116.57 120.44 1mwb h LYS 118 Ca 0.26 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.18 1mwb h LYS 118 Cb 0.16 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1mwb h LYS 118 CO -0.03 0.03 0.35 -0.09 -0.57 0.00 0.00 179.45 179.14 1mwb h ARG 119 N 0.04 0.48 -0.37 3.15 2.43 -1.32 2.48 114.38 121.28 1mwb h ARG 119 Ca 0.16 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1mwb h ARG 119 Cb 0.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1mwb h ARG 119 CO -0.01 0.32 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.31 1mwb h ASP 120 N 0.50 0.66 0.00 -3.80 3.32 -1.48 -2.03 116.42 113.59 1mwb h ASP 120 Ca 0.43 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1mwb h ASP 120 Cb 0.65 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1mwb h ASP 120 CO -0.39 0.82 -0.00 0.58 -1.72 0.00 0.00 179.24 178.53 1mwb h VAL 121 N 0.48 1.48 -1.17 -1.35 2.07 -1.08 -3.29 116.25 113.39 1mwb h VAL 121 Ca 0.10 -1.44 -0.55 0.00 0.82 0.00 0.00 66.70 65.63 1mwb h VAL 121 Cb 0.50 2.46 -0.20 0.00 -1.52 0.00 0.00 31.29 32.52 1mwb h VAL 121 CO 0.02 0.37 0.61 0.18 0.02 0.00 0.00 177.57 178.77 1mwb n LEU 122 N -4.80 6.86 -0.27 2.57 4.77 0.82 -4.47 117.00 122.48 1mwb n LEU 122 Ca -0.09 -4.14 0.21 0.00 -0.03 0.00 0.00 56.01 51.96 1mwb n LEU 122 Cb 0.31 -1.14 0.52 0.00 -2.33 0.00 0.00 43.42 40.78 1mwb n LEU 122 CO 0.33 1.62 1.23 0.78 -1.33 0.00 0.00 177.39 180.02 1mwb h ASN 123 N 2.62 0.41 0.00 -1.43 2.35 -1.44 -3.44 115.58 114.65 1mwb h ASN 123 Ca 0.44 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1mwb h ASN 123 Cb 0.60 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1mwb h ASN 123 CO 1.07 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 176.99