#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 1.07 -0.92 6.66 2.02 -2.03 -1.30 112.91 118.41 1mwb h THR 3 Ca 0.00 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.89 1mwb h THR 3 Cb 0.00 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.30 1mwb h THR 3 CO 0.00 0.19 0.60 0.17 0.37 0.00 0.00 175.52 176.85 1mwb h LEU 4 N 1.03 0.93 -0.78 2.58 8.10 -2.04 -1.58 115.31 123.54 1mwb h LEU 4 Ca 0.39 0.01 0.04 0.00 0.11 0.00 0.00 57.88 58.42 1mwb h LEU 4 Cb 0.19 -0.19 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 1mwb h LEU 4 CO -0.14 0.59 0.49 0.22 -4.11 0.00 0.00 178.44 175.49 1mwb h TYR 5 N 1.05 0.92 -0.37 0.17 3.20 -1.65 0.15 116.97 120.44 1mwb h TYR 5 Ca 0.40 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 1mwb h TYR 5 Cb 0.20 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1mwb h TYR 5 CO -0.00 0.52 0.02 1.49 -1.64 0.00 0.00 178.16 178.55 1mwb h GLU 6 N 0.95 0.64 0.06 1.82 4.22 -1.26 2.21 114.58 123.21 1mwb h GLU 6 Ca 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 59.36 59.56 1mwb h GLU 6 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1mwb h GLU 6 CO -0.12 0.73 -0.03 -0.22 -2.18 0.00 0.00 179.01 177.19 1mwb h LYS 7 N 0.46 -0.07 -0.06 1.92 3.64 -0.97 -3.23 116.57 118.26 1mwb h LYS 7 Ca 0.11 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.24 1mwb h LYS 7 Cb 0.43 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1mwb h LYS 7 CO 0.01 0.21 -0.94 -0.07 -2.27 0.00 0.00 179.45 176.39 1mwb h LEU 8 N -0.35 0.91 0.00 5.20 3.38 -0.72 -3.47 115.31 120.26 1mwb h LEU 8 Ca -0.01 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1mwb h LEU 8 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mwb h LEU 8 CO 0.01 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.63 1mwb n GLY 9 N 0.93 2.05 7.00 0.83 0.00 0.75 -4.91 105.19 111.83 1mwb n GLY 9 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.26 0.00 -0.02 0.00 -1.24 -4.96 105.19 96.72 1mwb n GLY 10 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1mwb n THR 11 N -0.40 0.00 -0.13 2.61 5.66 -1.26 -4.99 114.28 115.77 1mwb n THR 11 Ca 0.00 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.17 1mwb n THR 11 Cb 0.00 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.34 1mwb n THR 11 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1mwb h THR 12 N 0.00 0.77 -0.44 1.09 2.02 -1.99 -1.56 112.91 112.81 1mwb h THR 12 Ca 0.00 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1mwb h THR 12 Cb 0.00 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 1mwb h THR 12 CO 0.00 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 1mwb h ALA 13 N 1.66 0.39 -0.48 6.16 0.00 -1.99 0.44 119.26 125.43 1mwb h ALA 13 Ca 0.35 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 1mwb h ALA 13 Cb 0.93 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1mwb h ALA 13 CO -0.09 -0.40 0.08 0.28 0.00 0.00 0.00 179.25 179.13 1mwb h VAL 14 N 0.09 1.25 -0.67 0.00 2.07 -1.68 -2.73 116.25 114.58 1mwb h VAL 14 Ca 0.22 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1mwb h VAL 14 Cb 0.32 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1mwb h VAL 14 CO -0.37 0.32 0.36 0.44 0.02 0.00 0.00 177.57 178.33 1mwb h ASP 15 N 0.66 0.83 -0.64 0.57 3.32 -1.11 -1.78 116.42 118.27 1mwb h ASP 15 Ca 0.15 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1mwb h ASP 15 Cb 0.38 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1mwb h ASP 15 CO 0.01 0.68 0.32 0.25 -1.72 0.00 0.00 179.24 178.78 1mwb h LEU 16 N 0.93 0.44 -0.15 1.55 6.46 0.14 1.36 115.31 126.05 1mwb h LEU 16 Ca 0.24 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1mwb h LEU 16 Cb 0.04 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1mwb h LEU 16 CO -0.04 0.28 -0.13 0.00 -0.62 0.00 0.00 178.44 177.93 1mwb h ALA 17 N 1.36 0.22 -0.42 1.25 0.00 -1.32 -2.18 119.26 118.17 1mwb h ALA 17 Ca 0.30 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 17 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mwb h ALA 17 CO -0.22 0.09 -0.04 0.28 0.00 0.00 0.00 179.25 179.36 1mwb h VAL 18 N -0.01 1.27 0.06 0.00 2.07 -0.89 0.36 116.25 119.11 1mwb h VAL 18 Ca 0.03 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1mwb h VAL 18 Cb 0.65 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1mwb h VAL 18 CO 0.03 0.37 -0.03 -0.78 0.02 0.00 0.00 177.57 177.19 1mwb h ASP 19 N 0.59 -0.07 -0.29 0.57 3.58 0.18 0.13 116.42 121.11 1mwb h ASP 19 Ca 0.11 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1mwb h ASP 19 Cb 0.55 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1mwb h ASP 19 CO 0.03 -0.03 0.01 0.50 -2.88 0.00 0.00 179.24 176.87 1mwb h LYS 20 N -0.11 0.52 -1.00 0.28 3.64 -1.39 -2.93 116.57 115.58 1mwb h LYS 20 Ca -0.01 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1mwb h LYS 20 Cb 0.09 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1mwb h LYS 20 CO 0.01 0.66 0.65 0.35 -2.27 0.00 0.00 179.45 178.86 1mwb h PHE 21 N 0.31 1.21 -0.67 1.91 3.57 -0.79 -1.84 116.94 120.64 1mwb h PHE 21 Ca 0.08 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1mwb h PHE 21 Cb 0.42 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1mwb h PHE 21 CO 0.03 0.65 0.38 -0.92 -2.23 0.00 0.00 178.31 176.22 1mwb h TYR 22 N 1.21 0.70 -0.47 0.41 3.20 -0.56 -1.99 116.97 119.47 1mwb h TYR 22 Ca 0.42 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.22 1mwb h TYR 22 Cb 0.12 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1mwb h TYR 22 CO -0.00 0.35 -0.10 0.93 -1.64 0.00 0.00 178.16 177.70 1mwb h GLU 23 N 0.71 0.86 -0.68 1.82 5.08 -1.21 -2.97 114.58 118.18 1mwb h GLU 23 Ca 0.29 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1mwb h GLU 23 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1mwb h GLU 23 CO -0.17 0.92 0.30 0.00 -1.00 0.00 0.00 179.01 179.06 1mwb h ARG 24 N 0.77 0.98 -0.15 2.33 3.08 -0.73 0.16 114.38 120.83 1mwb h ARG 24 Ca 0.13 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1mwb h ARG 24 Cb 0.61 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1mwb h ARG 24 CO 0.04 0.78 0.08 0.28 -1.07 0.00 0.00 179.97 180.08 1mwb h VAL 25 N 0.97 1.11 -0.31 2.04 2.07 -1.23 -0.86 116.25 120.04 1mwb h VAL 25 Ca 0.23 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1mwb h VAL 25 Cb 0.14 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1mwb h VAL 25 CO -0.03 0.10 -0.28 -0.07 0.02 0.00 0.00 177.57 177.32 1mwb h LEU 26 N 0.13 0.65 -1.54 2.57 3.38 -1.43 -2.77 115.31 116.31 1mwb h LEU 26 Ca 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1mwb h LEU 26 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1mwb h LEU 26 CO -0.01 0.89 0.21 -0.61 0.09 0.00 0.00 178.44 179.02 1mwb h GLN 27 N 0.55 0.52 -6.24 1.13 5.75 -0.32 -3.39 115.11 113.10 1mwb h GLN 27 Ca 0.07 -0.05 -0.53 0.00 -0.15 0.00 0.00 58.65 58.00 1mwb h GLN 27 Cb 0.76 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.13 1mwb h GLN 27 CO 0.06 0.38 1.16 0.34 -2.65 0.00 0.00 178.83 178.12 1mwb s ASP 28 N -6.71 5.87 0.42 -0.69 2.15 -0.36 -4.85 116.67 112.51 1mwb s ASP 28 Ca -0.08 -0.13 0.10 0.00 0.43 0.00 0.00 52.55 52.87 1mwb s ASP 28 Cb 0.17 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 41.15 1mwb s ASP 28 CO 0.74 -2.00 2.01 -0.78 -0.17 0.00 0.00 175.17 174.96 1mwb h ASP 29 N 11.72 0.26 -0.86 -0.34 3.58 -1.84 -0.27 116.42 128.67 1mwb h ASP 29 Ca -0.27 -0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.28 1mwb h ASP 29 Cb 1.09 -0.07 -0.09 0.00 1.72 0.00 0.00 39.33 41.99 1mwb h ASP 29 CO 1.25 0.29 0.48 -0.09 -2.88 0.00 0.00 179.24 178.29 1mwb h ARG 30 N 0.29 0.71 -0.01 0.28 2.43 -1.94 -2.57 114.38 113.57 1mwb h ARG 30 Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1mwb h ARG 30 Cb 0.15 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1mwb h ARG 30 CO -0.00 0.47 -0.38 0.44 -1.51 0.00 0.00 179.97 178.99 1mwb n ILE 31 N -4.79 0.00 -0.14 1.20 -5.35 -1.08 -4.50 119.36 104.71 1mwb n ILE 31 Ca 0.16 -0.31 0.09 0.00 -0.27 0.00 0.00 62.75 62.42 1mwb n ILE 31 Cb 0.37 1.15 0.41 0.00 -1.74 0.00 0.00 39.64 39.83 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 1.40 0.59 -0.86 6.28 3.64 -0.61 -1.01 116.57 126.00 1mwb h LYS 32 Ca 0.00 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1mwb h LYS 32 Cb 0.49 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1mwb h LYS 32 CO 0.00 0.39 0.56 1.12 -2.27 0.00 0.00 179.45 179.25 1mwb h HIS 33 N 0.61 0.76 -0.57 1.91 2.07 -1.79 0.68 115.15 118.83 1mwb h HIS 33 Ca 0.29 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.78 1mwb h HIS 33 Cb 0.36 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 30.07 1mwb h HIS 33 CO -0.00 0.29 0.11 0.74 -3.07 0.00 0.00 177.93 176.00 1mwb h PHE 34 N 0.65 0.93 -0.61 6.12 0.04 -1.50 -2.35 116.94 120.21 1mwb h PHE 34 Ca 0.43 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1mwb h PHE 34 Cb 0.72 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1mwb h PHE 34 CO -0.00 0.79 0.00 1.19 -0.60 0.00 0.00 178.31 179.69 1mwb n PHE 35 N -4.25 0.97 -0.21 -0.55 3.72 0.77 -4.41 117.46 113.50 1mwb n PHE 35 Ca 0.04 -0.45 0.10 0.00 -0.05 0.00 0.00 57.45 57.10 1mwb n PHE 35 Cb 0.25 -0.06 0.39 0.00 -0.94 0.00 0.00 39.48 39.12 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 4.09 1.84 -2.61 4.37 0.00 0.76 -3.31 119.26 124.38 1mwb h ALA 36 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 0.97 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.23 1mwb h ALA 36 CO 0.06 -0.02 -0.85 -0.51 0.00 0.00 0.00 179.25 177.93 1mwb s ASP 37 N -5.99 2.77 -0.14 0.00 1.01 -1.26 -5.09 116.67 107.97 1mwb s ASP 37 Ca -0.09 -2.50 -0.13 0.00 0.71 0.00 0.00 52.55 50.53 1mwb s ASP 37 Cb 0.21 -0.54 0.04 0.00 1.01 0.00 0.00 42.92 43.64 1mwb s ASP 37 CO 0.78 -0.26 0.38 -0.69 0.21 0.00 0.00 175.17 175.58 1mwb s VAL 38 N 0.66 -0.00 0.49 -1.27 1.01 -1.25 -5.13 120.40 114.91 1mwb s VAL 38 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1mwb s VAL 38 Cb -0.17 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1mwb s VAL 38 CO -0.04 0.00 1.23 1.51 0.00 0.00 0.00 175.10 177.80 1mwb s ASP 39 N 0.22 5.83 0.47 3.32 1.47 -1.26 -4.90 116.67 121.81 1mwb s ASP 39 Ca -0.00 2.47 0.12 0.00 1.18 0.00 0.00 52.55 56.31 1mwb s ASP 39 Cb -0.03 -2.61 1.07 0.00 -0.34 0.00 0.00 42.92 41.01 1mwb s ASP 39 CO 0.00 -1.16 2.10 0.24 0.68 0.00 0.00 175.17 177.03 1mwb h MET 40 N 1.81 0.27 0.01 2.11 2.86 -2.01 -2.89 114.93 117.10 1mwb h MET 40 Ca -0.50 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1mwb h MET 40 Cb 1.27 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 1mwb h MET 40 CO 0.59 0.18 -0.18 0.00 1.06 0.00 0.00 176.91 178.55 1mwb h ALA 41 N 1.87 -0.24 -0.77 6.32 0.00 -2.00 -0.92 119.26 123.52 1mwb h ALA 41 Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1mwb h ALA 41 Cb -0.01 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1mwb h ALA 41 CO -0.02 -0.68 0.30 0.87 0.00 0.00 0.00 179.25 179.72 1mwb h LYS 42 N -0.31 1.15 -0.78 0.00 1.57 -1.90 -2.41 116.57 113.89 1mwb h LYS 42 Ca 0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1mwb h LYS 42 Cb 0.37 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1mwb h LYS 42 CO -0.16 0.93 0.51 1.96 -0.57 0.00 0.00 179.45 182.12 1mwb h GLN 43 N 1.12 1.04 -0.40 3.15 4.20 -1.33 0.90 115.11 123.78 1mwb h GLN 43 Ca 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1mwb h GLN 43 Cb 0.22 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1mwb h GLN 43 CO -0.02 0.70 0.16 -0.09 -0.67 0.00 0.00 178.83 178.91 1mwb h ARG 44 N 1.06 0.61 -0.16 1.46 9.65 -0.90 -0.72 114.38 125.38 1mwb h ARG 44 Ca 0.29 -0.11 -0.14 0.00 -1.10 0.00 0.00 59.98 58.92 1mwb h ARG 44 Cb -0.10 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1mwb h ARG 44 CO -0.06 0.58 -0.43 0.00 2.80 0.00 0.00 179.97 182.86 1mwb h ALA 45 N 1.00 0.27 0.05 2.80 0.00 -1.01 -1.44 119.26 120.93 1mwb h ALA 45 Ca 0.13 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1mwb h ALA 45 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 45 CO -0.01 0.40 -0.04 1.25 0.00 0.00 0.00 179.25 180.85 1mwb h HIS 46 N 0.23 -0.09 -0.54 0.00 -0.00 0.89 0.18 115.15 115.81 1mwb h HIS 46 Ca -0.01 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 1mwb h HIS 46 Cb 1.04 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 1mwb h HIS 46 CO 0.10 -0.06 -0.02 1.96 -0.00 0.00 0.00 177.93 179.91 1mwb h GLN 47 N -0.09 0.97 -0.77 5.26 4.20 -1.20 -2.14 115.11 121.34 1mwb h GLN 47 Ca -0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1mwb h GLN 47 Cb 0.08 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1mwb h GLN 47 CO -0.00 0.99 0.49 -0.22 -0.67 0.00 0.00 178.83 179.42 1mwb h LYS 48 N 0.85 1.03 -0.23 1.46 3.64 -1.06 -1.71 116.57 120.56 1mwb h LYS 48 Ca 0.15 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1mwb h LYS 48 Cb 0.56 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1mwb h LYS 48 CO 0.03 0.71 -0.15 0.00 -2.27 0.00 0.00 179.45 177.77 1mwb h ALA 49 N 1.27 1.32 0.11 5.00 0.00 -0.80 -2.04 119.26 124.11 1mwb h ALA 49 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 49 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mwb h ALA 49 CO -0.06 0.46 -0.05 0.35 0.00 0.00 0.00 179.25 179.95 1mwb h PHE 50 N 0.36 -0.13 -0.50 0.00 3.57 -0.64 0.26 116.94 119.86 1mwb h PHE 50 Ca 0.07 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1mwb h PHE 50 Cb 0.48 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1mwb h PHE 50 CO 0.01 -0.06 0.16 1.25 -2.23 0.00 0.00 178.31 177.44 1mwb h LEU 51 N -0.16 0.72 -0.66 0.59 6.46 -1.32 -1.43 115.31 119.52 1mwb h LEU 51 Ca -0.01 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1mwb h LEU 51 Cb 0.13 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1mwb h LEU 51 CO 0.02 0.73 0.32 0.74 -0.62 0.00 0.00 178.44 179.63 1mwb h THR 52 N 0.68 1.22 -0.70 1.05 2.02 -1.19 -0.41 112.91 115.58 1mwb h THR 52 Ca 0.16 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1mwb h THR 52 Cb 0.26 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1mwb h THR 52 CO -0.01 0.26 0.24 0.22 0.37 0.00 0.00 175.52 176.60 1mwb h TYR 53 N 0.91 1.10 -0.21 3.16 3.20 -0.25 -2.48 116.97 122.40 1mwb h TYR 53 Ca 0.23 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 1mwb h TYR 53 Cb 0.12 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1mwb h TYR 53 CO 0.00 0.87 -0.48 0.00 -1.64 0.00 0.00 178.16 176.91 1mwb h ALA 54 N 1.11 0.78 -0.13 1.82 0.00 -0.97 2.29 119.26 124.15 1mwb h ALA 54 Ca 0.23 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1mwb h ALA 54 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 54 CO -0.01 0.67 -0.21 0.74 0.00 0.00 0.00 179.25 180.43 1mwb h PHE 55 N 0.44 0.24 0.00 0.00 -1.00 -0.84 -3.41 116.94 112.37 1mwb h PHE 55 Ca 0.02 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 1mwb h PHE 55 Cb 1.00 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 40.42 1mwb h PHE 55 CO 0.04 0.43 -0.04 0.41 -1.61 0.00 0.00 178.31 177.55 1mwb n GLY 56 N -0.68 -0.03 3.77 -1.45 0.00 -0.95 -4.89 105.19 100.96 1mwb n GLY 56 Ca -0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1mwb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mwb s GLY 57 N -0.41 2.79 0.05 -0.02 0.00 0.77 -4.92 107.32 105.58 1mwb s GLY 57 Ca 0.05 0.95 -0.31 0.00 0.00 0.00 0.00 44.72 45.41 1mwb s GLY 57 CO -0.04 1.42 1.29 -1.08 0.00 0.00 0.00 173.10 174.69 1mwb s THR 58 N -1.52 3.80 0.26 0.90 -1.32 -1.26 -4.91 115.64 111.59 1mwb s THR 58 Ca 0.62 1.26 -0.04 0.00 -1.21 0.00 0.00 61.69 62.32 1mwb s THR 58 Cb -0.29 -3.81 0.26 0.00 -1.51 0.00 0.00 72.50 67.16 1mwb s THR 58 CO 0.36 0.06 1.92 0.44 -2.21 0.00 0.00 174.62 175.19 1mwb h ASP 59 N 7.10 1.10 -3.69 8.08 3.32 -1.93 -3.39 116.42 127.01 1mwb h ASP 59 Ca -0.40 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 56.00 1mwb h ASP 59 Cb 1.20 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.33 1mwb h ASP 59 CO 0.85 0.77 -0.52 -0.75 -1.72 0.00 0.00 179.24 177.87 1mwb s LYS 60 N -6.07 3.98 -0.05 3.56 2.47 -1.26 -5.01 119.74 117.37 1mwb s LYS 60 Ca -0.13 -0.31 -0.00 0.00 -1.56 0.00 0.00 55.97 53.97 1mwb s LYS 60 Cb 0.19 -3.55 0.03 0.00 -1.46 0.00 0.00 37.83 33.03 1mwb s LYS 60 CO 0.81 -0.04 -0.02 -0.47 0.16 0.00 0.00 175.35 175.80 1mwb s TYR 61 N 1.34 0.62 -0.19 4.03 5.04 -1.26 -5.13 117.35 121.79 1mwb s TYR 61 Ca 0.07 -0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.41 1mwb s TYR 61 Cb -0.15 -0.66 -0.04 0.00 0.35 0.00 0.00 41.96 41.46 1mwb s TYR 61 CO 0.07 -0.23 0.33 -0.51 -1.34 0.00 0.00 175.55 173.87 1mwb s ASP 62 N 1.34 6.39 0.00 4.32 1.01 -1.26 -4.93 116.67 123.55 1mwb s ASP 62 Ca -0.05 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.67 1mwb s ASP 62 Cb -0.13 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1mwb s ASP 62 CO -0.02 -0.00 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1mwb n GLY 63 N 3.82 -0.19 0.30 0.21 0.00 -1.26 -5.01 105.19 103.06 1mwb n GLY 63 Ca -0.10 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.97 1.61 3.08 -2.01 -2.10 114.38 113.99 1mwb h ARG 64 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 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 0.56 -0.92 -1.07 0.00 0.00 179.97 178.54 1mwb h TYR 65 N 0.00 0.99 -0.92 3.04 3.20 -1.99 0.17 116.97 121.46 1mwb h TYR 65 Ca 0.03 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1mwb h TYR 65 Cb 0.16 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 1mwb h TYR 65 CO 0.00 0.21 0.59 0.52 -1.64 0.00 0.00 178.16 177.85 1mwb h MET 66 N 0.72 1.09 -0.40 1.82 2.86 -1.79 -1.86 114.93 117.38 1mwb h MET 66 Ca 0.55 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.99 1mwb h MET 66 Cb 0.85 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1mwb h MET 66 CO -0.38 0.72 -0.28 0.00 1.06 0.00 0.00 176.91 178.03 1mwb h ARG 67 N 1.13 0.86 -0.80 1.72 3.08 -0.88 -2.98 114.38 116.51 1mwb h ARG 67 Ca 0.37 -0.39 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1mwb h ARG 67 Cb 0.05 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1mwb h ARG 67 CO -0.13 1.03 0.52 0.93 -1.07 0.00 0.00 179.97 181.26 1mwb h GLU 68 N 0.73 0.95 0.20 0.04 4.39 -0.35 0.14 114.58 120.68 1mwb h GLU 68 Ca 0.08 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1mwb h GLU 68 Cb 0.84 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1mwb h GLU 68 CO 0.07 0.63 -0.10 0.00 -1.16 0.00 0.00 179.01 178.45 1mwb h ALA 69 N 1.54 -0.45 -0.89 3.43 0.00 -1.38 -3.00 119.26 118.51 1mwb h ALA 69 Ca 0.32 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1mwb h ALA 69 Cb 0.05 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1mwb h ALA 69 CO -0.09 -0.43 0.59 0.45 0.00 0.00 0.00 179.25 179.76 1mwb h HIS 70 N -0.60 1.09 -0.58 0.00 3.86 -1.55 -1.92 115.15 115.45 1mwb h HIS 70 Ca -0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1mwb h HIS 70 Cb 0.21 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1mwb h HIS 70 CO 0.04 0.65 0.26 1.57 0.86 0.00 0.00 177.93 181.31 1mwb h LYS 71 N 1.14 0.83 -0.90 2.45 2.10 -0.84 -1.31 116.57 120.04 1mwb h LYS 71 Ca 0.35 -0.11 0.11 0.00 -2.00 0.00 0.00 60.65 58.99 1mwb h LYS 71 Cb -0.03 -0.15 -0.07 0.00 -0.90 0.00 0.00 32.23 31.08 1mwb h LYS 71 CO -0.10 0.66 0.58 1.49 -2.00 0.00 0.00 179.45 180.08 1mwb h GLU 72 N 0.83 0.83 -0.56 0.07 4.81 -1.19 0.35 114.58 119.72 1mwb h GLU 72 Ca 0.20 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1mwb h GLU 72 Cb 0.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1mwb h GLU 72 CO -0.02 0.55 0.04 -0.07 -0.73 0.00 0.00 179.01 178.78 1mwb h LEU 73 N 0.86 0.90 -0.87 1.64 3.38 -1.16 -0.39 115.31 119.66 1mwb h LEU 73 Ca 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1mwb h LEU 73 Cb 0.46 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1mwb h LEU 73 CO -0.19 0.93 0.51 0.58 0.09 0.00 0.00 178.44 180.36 1mwb h VAL 74 N 0.87 1.25 0.10 1.22 2.07 -0.65 1.22 116.25 122.33 1mwb h VAL 74 Ca 0.17 -0.56 -0.27 0.00 0.82 0.00 0.00 66.70 66.86 1mwb h VAL 74 Cb 0.45 0.04 0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1mwb h VAL 74 CO 0.02 0.26 -1.11 -0.33 0.02 0.00 0.00 177.57 176.43 1mwb h GLU 75 N 1.21 0.57 0.04 1.57 4.39 -1.15 -2.68 114.58 118.52 1mwb h GLU 75 Ca 0.31 -0.75 -0.30 0.00 0.34 0.00 0.00 59.36 58.96 1mwb h GLU 75 Cb -0.02 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1mwb h GLU 75 CO -0.06 1.33 -1.65 0.09 -1.16 0.00 0.00 179.01 177.56 1mwb n ASN 76 N -3.89 1.96 0.04 1.42 5.03 -0.18 -4.47 115.26 115.17 1mwb n ASN 76 Ca -0.13 0.33 0.12 0.00 0.87 0.00 0.00 54.58 55.76 1mwb n ASN 76 Cb 0.93 -0.90 0.09 0.00 -1.02 0.00 0.00 39.78 38.87 1mwb n ASN 76 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1mwb n HIS 77 N -4.08 0.39 -2.80 3.10 8.25 0.39 -4.98 115.22 115.49 1mwb n HIS 77 Ca -0.35 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.14 1mwb n HIS 77 Cb 0.82 -0.54 0.03 0.00 1.12 0.00 0.00 29.99 31.43 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 0.30 3.73 -1.41 0.00 0.66 -4.95 105.19 104.87 1mwb n GLY 78 Ca 0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.50 4.45 0.38 0.99 2.96 -1.16 -4.94 118.68 117.86 1mwb s LEU 79 Ca 0.15 1.99 0.04 0.00 -0.22 0.00 0.00 54.13 56.08 1mwb s LEU 79 Cb -0.07 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1mwb s LEU 79 CO 0.28 -0.27 0.11 0.54 -1.32 0.00 0.00 176.35 175.69 1mwb s ASN 80 N 0.32 2.54 0.54 3.68 4.22 -1.26 -4.53 114.94 120.45 1mwb s ASN 80 Ca 0.52 -1.59 0.24 0.00 -2.14 0.00 0.00 52.86 49.89 1mwb s ASN 80 Cb -0.28 0.35 1.42 0.00 1.28 0.00 0.00 41.25 44.03 1mwb s ASN 80 CO 0.32 -0.85 2.04 1.23 -2.04 0.00 0.00 177.10 177.81 1mwb h GLY 81 N 1.92 0.00 0.71 0.45 0.00 -1.98 -1.14 103.07 103.03 1mwb h GLY 81 Ca -0.37 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.03 1mwb h GLY 81 CO 0.59 0.00 0.60 0.83 0.00 0.00 0.00 176.54 178.56 1mwb h GLU 82 N 0.00 1.04 -0.43 4.80 5.08 -1.99 0.22 114.58 123.31 1mwb h GLU 82 Ca 0.17 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1mwb h GLU 82 Cb 0.71 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1mwb h GLU 82 CO -0.00 0.69 0.02 0.45 -1.00 0.00 0.00 179.01 179.17 1mwb h HIS 83 N 1.08 0.80 -0.39 4.33 3.86 -1.61 -1.16 115.15 122.05 1mwb h HIS 83 Ca 0.41 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.50 1mwb h HIS 83 Cb 0.19 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1mwb h HIS 83 CO -0.02 0.79 0.25 0.35 0.86 0.00 0.00 177.93 180.16 1mwb h PHE 84 N 0.58 0.47 -0.58 2.45 3.04 -1.17 -2.26 116.94 119.46 1mwb h PHE 84 Ca 0.12 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1mwb h PHE 84 Cb 0.46 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1mwb h PHE 84 CO 0.04 0.28 0.20 -0.44 -2.02 0.00 0.00 178.31 176.37 1mwb h ASP 85 N 0.50 0.80 -0.13 0.41 3.32 -0.46 -1.04 116.42 119.81 1mwb h ASP 85 Ca 0.15 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1mwb h ASP 85 Cb -0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1mwb h ASP 85 CO -0.05 0.74 0.05 0.00 -1.72 0.00 0.00 179.24 178.27 1mwb h ALA 86 N 1.37 0.15 -0.36 3.45 0.00 -0.65 1.12 119.26 124.34 1mwb h ALA 86 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 86 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1mwb h ALA 86 CO -0.01 -0.39 -0.07 0.28 0.00 0.00 0.00 179.25 179.06 1mwb h VAL 87 N 0.12 1.27 -0.39 0.00 2.07 -1.27 -2.78 116.25 115.28 1mwb h VAL 87 Ca 0.05 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1mwb h VAL 87 Cb 0.02 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1mwb h VAL 87 CO -0.05 0.37 0.08 0.00 0.02 0.00 0.00 177.57 177.99 1mwb h ALA 88 N 0.83 0.52 -0.90 1.67 0.00 -0.93 -2.73 119.26 117.73 1mwb h ALA 88 Ca 0.09 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1mwb h ALA 88 Cb 0.57 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1mwb h ALA 88 CO 0.03 0.22 0.58 1.49 0.00 0.00 0.00 179.25 181.57 1mwb h GLU 89 N 0.50 0.73 -0.90 0.00 4.57 0.14 0.13 114.58 119.74 1mwb h GLU 89 Ca 0.12 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1mwb h GLU 89 Cb 0.35 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1mwb h GLU 89 CO 0.01 0.48 0.52 -0.44 -1.18 0.00 0.00 179.01 178.39 1mwb h ASP 90 N 0.75 1.11 -0.83 1.04 3.32 -1.20 -2.52 116.42 118.10 1mwb h ASP 90 Ca 0.45 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1mwb h ASP 90 Cb 0.65 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1mwb h ASP 90 CO -0.21 0.87 0.51 0.25 -1.72 0.00 0.00 179.24 178.94 1mwb h LEU 91 N 1.25 0.98 -1.13 1.55 5.85 -0.87 -2.32 115.31 120.62 1mwb h LEU 91 Ca 0.32 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1mwb h LEU 91 Cb -0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1mwb h LEU 91 CO -0.06 0.75 0.45 -0.07 -0.34 0.00 0.00 178.44 179.17 1mwb h LEU 92 N 1.13 0.93 -1.06 2.25 -0.00 -1.16 -2.20 115.31 115.20 1mwb h LEU 92 Ca 0.30 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1mwb h LEU 92 Cb -0.07 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.32 1mwb h LEU 92 CO -0.06 0.72 0.56 0.00 -0.00 0.00 0.00 178.44 179.66 1mwb h ALA 93 N 1.43 1.30 -0.65 1.53 0.00 -1.17 -1.47 119.26 120.23 1mwb h ALA 93 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1mwb h ALA 93 Cb -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1mwb h ALA 93 CO -0.05 0.62 0.34 1.15 0.00 0.00 0.00 179.25 181.31 1mwb h THR 94 N 1.22 1.21 -0.57 0.00 2.02 -1.21 -0.81 112.91 114.77 1mwb h THR 94 Ca 0.32 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1mwb h THR 94 Cb -0.08 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1mwb h THR 94 CO -0.06 0.24 0.21 -0.07 0.37 0.00 0.00 175.52 176.21 1mwb h LEU 95 N 0.89 0.81 -0.92 2.58 3.38 -1.18 -2.53 115.31 118.34 1mwb h LEU 95 Ca 0.23 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1mwb h LEU 95 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1mwb h LEU 95 CO -0.03 0.77 0.15 0.11 0.09 0.00 0.00 178.44 179.52 1mwb h LYS 96 N 0.80 0.94 -0.86 1.13 1.57 -0.96 -2.60 116.57 116.58 1mwb h LYS 96 Ca 0.19 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mwb h LYS 96 Cb 0.23 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1mwb h LYS 96 CO -0.01 0.84 0.54 1.49 -0.57 0.00 0.00 179.45 181.73 1mwb h GLU 97 N 0.90 1.15 -0.10 3.15 4.81 -0.82 -1.46 114.58 122.20 1mwb h GLU 97 Ca 0.19 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1mwb h GLU 97 Cb 0.32 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1mwb h GLU 97 CO -0.00 0.79 -0.14 0.52 -0.73 0.00 0.00 179.01 179.44 1mwb h MET 98 N 1.17 0.16 0.00 1.92 2.86 -1.10 -3.46 114.93 116.48 1mwb h MET 98 Ca 0.31 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1mwb h MET 98 Cb -0.09 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1mwb h MET 98 CO -0.06 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1mwb n GLY 99 N -0.92 0.71 3.75 8.32 0.00 -0.55 -5.04 105.19 111.46 1mwb n GLY 99 Ca -0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1mwb n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mwb s VAL 100 N -2.00 2.50 0.43 1.61 0.11 -1.19 -4.91 120.40 116.95 1mwb s VAL 100 Ca 0.00 0.43 -0.22 0.00 -2.93 0.00 0.00 61.98 59.26 1mwb s VAL 100 Cb 0.00 -3.28 -0.12 0.00 -1.53 0.00 0.00 36.38 31.46 1mwb s VAL 100 CO 0.00 0.07 0.63 -0.81 -3.33 0.00 0.00 175.10 171.66 1mwb n PRO 101 N 2.04 0.70 0.07 1.54 -0.04 -1.26 -4.83 135.00 133.21 1mwb n PRO 101 Ca 0.06 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 1mwb n PRO 101 Cb 0.40 -1.62 0.42 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.87 0.38 -0.88 0.54 3.07 -1.99 -2.46 114.58 114.11 1mwb h GLU 102 Ca -0.41 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 58.50 1mwb h GLU 102 Cb 1.39 -0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 29.15 1mwb h GLU 102 CO 0.52 0.36 0.51 0.22 -1.40 0.00 0.00 179.01 179.22 1mwb h ASP 103 N 0.38 0.72 -0.40 1.42 3.58 -2.00 0.83 116.42 120.94 1mwb h ASP 103 Ca 0.09 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.47 1mwb h ASP 103 Cb 0.15 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1mwb h ASP 103 CO -0.00 0.39 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.47 1mwb h LEU 104 N 0.82 0.92 -0.90 2.28 -0.00 -1.79 -2.95 115.31 113.69 1mwb h LEU 104 Ca 0.43 -0.33 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 1mwb h LEU 104 Cb 0.44 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1mwb h LEU 104 CO -0.27 1.09 0.05 0.40 -0.00 0.00 0.00 178.44 179.71 1mwb h ILE 105 N 0.78 1.24 -0.72 1.22 2.04 -1.02 -2.34 117.51 118.72 1mwb h ILE 105 Ca 0.11 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1mwb h ILE 105 Cb 0.75 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1mwb h ILE 105 CO 0.06 0.35 0.46 0.00 0.00 0.00 0.00 178.15 179.02 1mwb h ALA 106 N 1.24 0.91 -0.58 1.87 0.00 -0.74 0.58 119.26 122.54 1mwb h ALA 106 Ca 0.16 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1mwb h ALA 106 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mwb h ALA 106 CO 0.01 0.35 -0.05 0.93 0.00 0.00 0.00 179.25 180.50 1mwb h GLU 107 N 0.98 1.06 -0.59 0.00 5.08 -1.38 -2.21 114.58 117.52 1mwb h GLU 107 Ca 0.26 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1mwb h GLU 107 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1mwb h GLU 107 CO -0.05 1.06 0.07 0.28 -1.00 0.00 0.00 179.01 179.37 1mwb h VAL 108 N 0.95 1.26 -0.53 3.13 2.07 -0.96 -2.84 116.25 119.33 1mwb h VAL 108 Ca 0.16 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1mwb h VAL 108 Cb 0.62 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1mwb h VAL 108 CO 0.04 0.38 0.09 0.00 0.02 0.00 0.00 177.57 178.10 1mwb h ALA 109 N 1.00 1.16 -0.04 1.67 0.00 -0.75 -2.55 119.26 119.76 1mwb h ALA 109 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1mwb h ALA 109 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1mwb h ALA 109 CO 0.02 0.56 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 1mwb h ALA 110 N 1.30 1.59 -0.84 0.00 0.00 -1.17 2.35 119.26 122.48 1mwb h ALA 110 Ca 0.17 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1mwb h ALA 110 Cb 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1mwb h ALA 110 CO 0.00 0.31 0.55 0.28 0.00 0.00 0.00 179.25 180.39 1mwb h VAL 111 N 0.06 1.17 -0.00 0.00 2.07 -1.24 -3.25 116.25 115.06 1mwb h VAL 111 Ca 0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1mwb h VAL 111 Cb 0.40 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1mwb h VAL 111 CO 0.03 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 1mwb n ALA 112 N -2.34 2.32 1.77 1.67 0.00 -1.09 -4.60 120.51 118.24 1mwb n ALA 112 Ca 0.10 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1mwb n ALA 112 Cb 0.06 -0.06 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 0.65 -0.63 3.70 0.00 0.00 0.79 -4.86 105.19 104.83 1mwb n GLY 113 Ca 0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1mwb n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwb s ALA 114 N -1.92 3.70 0.42 4.61 0.00 -1.24 -4.89 121.76 122.44 1mwb s ALA 114 Ca 0.20 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.51 1mwb s ALA 114 Cb 0.10 -3.64 0.95 0.00 0.00 0.00 0.00 23.12 20.52 1mwb s ALA 114 CO 0.15 -0.91 2.00 -1.00 0.00 0.00 0.00 175.76 176.01 1mwb h PRO 115 N 7.52 0.48 0.00 0.00 0.13 -1.95 -0.51 132.00 137.67 1mwb h PRO 115 Ca -0.42 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1mwb h PRO 115 Cb 1.20 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1mwb h PRO 115 CO 0.91 0.32 -0.19 0.00 -0.23 0.00 0.00 178.00 178.81 1mwb h ALA 116 N 1.70 1.68 -0.61 -0.56 0.00 -1.97 -2.73 119.26 116.77 1mwb h ALA 116 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1mwb h ALA 116 Cb 0.35 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1mwb h ALA 116 CO -0.07 0.24 0.34 1.25 0.00 0.00 0.00 179.25 181.01 1mwb h HIS 117 N 0.00 0.62 -0.37 0.00 6.17 -1.42 -1.35 115.15 118.79 1mwb h HIS 117 Ca -0.00 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.12 1mwb h HIS 117 Cb 0.34 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1mwb h HIS 117 CO 0.00 0.30 0.25 0.87 0.71 0.00 0.00 177.93 180.06 1mwb h LYS 118 N 0.63 0.44 -0.68 5.26 1.57 -1.56 -2.29 116.57 119.95 1mwb h LYS 118 Ca 0.27 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1mwb h LYS 118 Cb 0.16 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1mwb h LYS 118 CO -0.17 0.29 0.30 -0.09 -0.57 0.00 0.00 179.45 179.22 1mwb h ARG 119 N 0.46 0.50 -0.68 3.15 9.65 -1.29 1.20 114.38 127.37 1mwb h ARG 119 Ca 0.14 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 1mwb h ARG 119 Cb 0.02 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1mwb h ARG 119 CO -0.03 0.33 0.15 0.22 2.80 0.00 0.00 179.97 183.44 1mwb h ASP 120 N 0.52 1.06 0.04 -3.80 3.58 -1.43 0.20 116.42 116.59 1mwb h ASP 120 Ca 0.34 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1mwb h ASP 120 Cb 0.40 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1mwb h ASP 120 CO -0.30 1.03 -0.02 0.58 -2.88 0.00 0.00 179.24 177.65 1mwb h VAL 121 N 1.04 0.00 -0.62 2.25 2.07 -1.09 -3.39 116.25 116.51 1mwb h VAL 121 Ca 0.21 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1mwb h VAL 121 Cb 0.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1mwb h VAL 121 CO 0.01 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.63 1mwb h LEU 122 N -0.53 0.98 -1.60 2.57 3.38 0.13 -3.34 115.31 116.90 1mwb h LEU 122 Ca -0.01 -0.26 -0.42 0.00 0.09 0.00 0.00 57.88 57.29 1mwb h LEU 122 Cb 0.04 -0.26 0.06 0.00 0.09 0.00 0.00 40.66 40.59 1mwb h LEU 122 CO 0.01 0.98 -0.81 0.59 0.09 0.00 0.00 178.44 179.31 1mwb n ASN 123 N -4.29 -2.07 0.00 -0.43 3.02 0.70 -4.82 115.26 107.37 1mwb n ASN 123 Ca 0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1mwb n ASN 123 Cb 0.28 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64