#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 1.24 -0.88 0.44 1.03 -2.05 -2.81 112.91 109.88 1mwb h THR 3 Ca 0.00 -1.12 0.09 0.00 -0.01 0.00 0.00 66.41 65.37 1mwb h THR 3 Cb 0.00 1.41 -0.06 0.00 -1.07 0.00 0.00 68.15 68.43 1mwb h THR 3 CO 0.00 0.34 0.57 -0.07 -0.01 0.00 0.00 175.52 176.35 1mwb h LEU 4 N 0.23 0.81 -1.61 0.00 3.38 -2.04 0.41 115.31 116.48 1mwb h LEU 4 Ca 0.04 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1mwb h LEU 4 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1mwb h LEU 4 CO 0.04 0.49 -0.20 1.88 0.09 0.00 0.00 178.44 180.74 1mwb h TYR 5 N 0.90 0.00 -0.78 1.13 0.05 -1.89 -2.67 116.97 113.71 1mwb h TYR 5 Ca 0.40 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.32 1mwb h TYR 5 Cb 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 1mwb h TYR 5 CO -0.00 0.20 0.51 1.49 -1.05 0.00 0.00 178.16 179.32 1mwb h GLU 6 N 0.00 0.47 -0.71 4.88 4.81 -0.97 0.11 114.58 123.17 1mwb h GLU 6 Ca -0.00 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1mwb h GLU 6 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1mwb h GLU 6 CO 0.03 0.31 0.47 0.87 -0.73 0.00 0.00 179.01 179.95 1mwb h LYS 7 N 0.48 0.80 -0.18 1.92 1.57 -1.56 -0.26 116.57 119.34 1mwb h LYS 7 Ca 0.38 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1mwb h LYS 7 Cb 0.79 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1mwb h LYS 7 CO -0.13 0.53 0.01 -0.07 -0.57 0.00 0.00 179.45 179.22 1mwb h LEU 8 N 0.82 0.23 0.00 2.94 3.38 -0.94 -3.45 115.31 118.30 1mwb h LEU 8 Ca 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1mwb h LEU 8 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mwb h LEU 8 CO -0.09 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1mwb n GLY 9 N -1.21 0.56 0.00 0.83 0.00 -0.14 -4.88 105.19 100.35 1mwb n GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mwb n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwb n GLY 10 N 0.00 -0.50 0.34 -0.02 0.00 -1.01 -3.65 105.19 100.36 1mwb n GLY 10 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1mwb n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1mwb h THR 11 N 0.00 1.20 -0.23 2.61 2.02 -1.93 -1.69 112.91 114.88 1mwb h THR 11 Ca 0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1mwb h THR 11 Cb 0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1mwb h THR 11 CO 0.00 0.20 0.04 0.71 0.37 0.00 0.00 175.52 176.84 1mwb h THR 12 N 0.98 1.13 -0.10 3.16 1.35 -1.98 -1.71 112.91 115.73 1mwb h THR 12 Ca 0.26 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 1mwb h THR 12 Cb -0.06 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1mwb h THR 12 CO -0.05 0.16 -0.17 0.00 -0.25 0.00 0.00 175.52 175.21 1mwb h ALA 13 N 1.72 1.53 -0.45 6.62 0.00 -1.37 -2.80 119.26 124.50 1mwb h ALA 13 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1mwb h ALA 13 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1mwb h ALA 13 CO -0.00 0.34 0.27 0.28 0.00 0.00 0.00 179.25 180.14 1mwb h VAL 14 N 0.15 1.14 -0.21 0.00 2.07 -1.27 -2.25 116.25 115.89 1mwb h VAL 14 Ca 0.03 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1mwb h VAL 14 Cb 0.40 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1mwb h VAL 14 CO 0.03 0.14 -0.14 -2.24 0.02 0.00 0.00 177.57 175.38 1mwb h ASP 15 N 0.60 0.33 -0.74 0.57 3.04 -1.54 -2.63 116.42 116.06 1mwb h ASP 15 Ca 0.16 -0.08 0.05 0.00 -3.24 0.00 0.00 57.03 53.93 1mwb h ASP 15 Cb -0.01 -0.09 -0.05 0.00 -1.04 0.00 0.00 39.33 38.14 1mwb h ASP 15 CO -0.03 0.50 0.44 0.25 -2.04 0.00 0.00 179.24 178.36 1mwb h LEU 16 N 0.33 0.69 -0.59 0.15 7.12 -1.20 -0.32 115.31 121.48 1mwb h LEU 16 Ca 0.06 0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.97 1mwb h LEU 16 Cb 0.44 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1mwb h LEU 16 CO 0.03 0.45 -0.22 0.00 -0.13 0.00 0.00 178.44 178.57 1mwb h ALA 17 N 1.35 0.78 -0.73 1.25 0.00 -1.24 -3.03 119.26 117.63 1mwb h ALA 17 Ca 0.32 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1mwb h ALA 17 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1mwb h ALA 17 CO -0.16 0.66 0.24 0.28 0.00 0.00 0.00 179.25 180.27 1mwb h VAL 18 N 0.77 1.26 -0.06 0.00 2.07 -1.08 -0.60 116.25 118.62 1mwb h VAL 18 Ca 0.10 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1mwb h VAL 18 Cb 0.77 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1mwb h VAL 18 CO 0.06 0.35 -0.00 0.44 0.02 0.00 0.00 177.57 178.44 1mwb h ASP 19 N 1.07 -0.03 -0.14 0.57 3.32 -0.99 0.57 116.42 120.79 1mwb h ASP 19 Ca 0.24 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1mwb h ASP 19 Cb 0.29 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1mwb h ASP 19 CO -0.01 -0.01 0.01 0.11 -1.72 0.00 0.00 179.24 177.62 1mwb h LYS 20 N 0.01 0.24 -0.97 3.56 1.57 -1.43 -2.93 116.57 116.63 1mwb h LYS 20 Ca 0.03 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1mwb h LYS 20 Cb 0.03 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1mwb h LYS 20 CO -0.05 0.45 0.62 0.35 -0.57 0.00 0.00 179.45 180.25 1mwb h PHE 21 N -0.00 1.09 -0.52 -1.35 3.57 -0.97 -0.83 116.94 117.93 1mwb h PHE 21 Ca 0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1mwb h PHE 21 Cb 0.33 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1mwb h PHE 21 CO 0.03 0.48 0.26 -0.92 -2.23 0.00 0.00 178.31 175.93 1mwb h TYR 22 N 0.99 0.48 -0.32 0.41 5.03 -0.70 -2.46 116.97 120.40 1mwb h TYR 22 Ca 0.45 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.63 1mwb h TYR 22 Cb 0.40 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1mwb h TYR 22 CO -0.00 0.23 -0.41 0.93 -1.32 0.00 0.00 178.16 177.59 1mwb h GLU 23 N 0.51 0.80 -0.94 1.82 5.08 -1.11 -3.12 114.58 117.62 1mwb h GLU 23 Ca 0.23 -0.43 0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1mwb h GLU 23 Cb 0.14 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1mwb h GLU 23 CO -0.16 1.06 0.60 0.00 -1.00 0.00 0.00 179.01 179.51 1mwb h ARG 24 N 0.65 0.89 0.01 2.33 2.47 -0.74 1.21 114.38 121.19 1mwb h ARG 24 Ca 0.05 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1mwb h ARG 24 Cb 0.98 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1mwb h ARG 24 CO 0.09 0.59 -0.00 0.28 0.56 0.00 0.00 179.97 181.49 1mwb h VAL 25 N 0.92 1.29 -0.31 2.04 2.07 -1.42 -1.01 116.25 119.82 1mwb h VAL 25 Ca 0.45 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1mwb h VAL 25 Cb 0.46 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1mwb h VAL 25 CO -0.21 0.23 -0.40 -0.07 0.02 0.00 0.00 177.57 177.14 1mwb h LEU 26 N -0.39 0.89 -1.56 2.57 3.38 -1.37 -3.05 115.31 115.79 1mwb h LEU 26 Ca -0.00 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1mwb h LEU 26 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1mwb h LEU 26 CO 0.00 1.21 -0.12 1.56 0.09 0.00 0.00 178.44 181.18 1mwb h GLN 27 N 0.60 0.13 -6.25 1.13 4.20 0.14 -3.40 115.11 111.67 1mwb h GLN 27 Ca 0.04 -0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.19 1mwb h GLN 27 Cb 0.99 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1mwb h GLN 27 CO 0.09 0.26 1.17 0.34 -0.67 0.00 0.00 178.83 180.03 1mwb s ASP 28 N -6.94 5.85 0.27 1.46 2.15 -0.39 -4.86 116.67 114.22 1mwb s ASP 28 Ca -0.05 0.10 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 1mwb s ASP 28 Cb 0.16 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.62 1mwb s ASP 28 CO 0.71 -1.97 1.90 0.44 -0.17 0.00 0.00 175.17 176.08 1mwb h ASP 29 N 12.05 1.06 -0.90 -0.34 3.32 -1.84 0.29 116.42 130.06 1mwb h ASP 29 Ca -0.27 -0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.97 1mwb h ASP 29 Cb 1.10 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 40.31 1mwb h ASP 29 CO 1.22 0.70 0.44 -0.09 -1.72 0.00 0.00 179.24 179.79 1mwb h ARG 30 N 1.22 0.51 -0.01 3.56 2.43 -1.94 -2.10 114.38 118.05 1mwb h ARG 30 Ca 0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1mwb h ARG 30 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1mwb h ARG 30 CO -0.15 0.34 -0.06 0.44 -1.51 0.00 0.00 179.97 179.03 1mwb n ILE 31 N -4.95 0.00 -0.18 1.20 -5.35 -1.01 -4.57 119.36 104.50 1mwb n ILE 31 Ca 0.21 -0.47 0.05 0.00 -0.27 0.00 0.00 62.75 62.27 1mwb n ILE 31 Cb 0.58 1.22 0.33 0.00 -1.74 0.00 0.00 39.64 40.03 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 2.07 0.78 -0.83 6.28 3.64 0.29 -1.59 116.57 127.22 1mwb h LYS 32 Ca 0.00 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1mwb h LYS 32 Cb 0.47 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1mwb h LYS 32 CO 0.00 0.52 0.54 1.12 -2.27 0.00 0.00 179.45 179.36 1mwb h HIS 33 N 0.81 0.84 -0.56 1.91 2.07 -1.81 2.27 115.15 120.67 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 0.14 -0.27 -0.02 0.00 2.57 0.00 0.00 27.41 29.83 1mwb h HIS 33 CO -0.00 0.39 0.13 0.74 -3.07 0.00 0.00 177.93 176.12 1mwb h PHE 34 N 0.78 0.95 -0.68 6.12 0.04 -1.62 -2.93 116.94 119.60 1mwb h PHE 34 Ca 0.38 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1mwb h PHE 34 Cb 0.44 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1mwb h PHE 34 CO -0.00 0.82 0.00 1.19 -0.60 0.00 0.00 178.31 179.72 1mwb n PHE 35 N -4.39 1.06 0.01 -0.55 3.72 -0.36 -4.48 117.46 112.47 1mwb n PHE 35 Ca 0.02 -0.53 0.06 0.00 -0.05 0.00 0.00 57.45 56.95 1mwb n PHE 35 Cb 0.24 -0.07 0.46 0.00 -0.94 0.00 0.00 39.48 39.18 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 4.02 1.80 -2.81 4.37 0.00 0.39 -3.33 119.26 123.70 1mwb h ALA 36 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 1mwb h ALA 36 Cb 1.09 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 1mwb h ALA 36 CO 0.06 0.16 -0.79 -0.51 0.00 0.00 0.00 179.25 178.17 1mwb s ASP 37 N -6.64 3.27 -0.10 0.00 1.01 -1.26 -5.07 116.67 107.89 1mwb s ASP 37 Ca -0.08 -2.61 -0.09 0.00 0.71 0.00 0.00 52.55 50.48 1mwb s ASP 37 Cb 0.18 -0.82 0.03 0.00 1.01 0.00 0.00 42.92 43.32 1mwb s ASP 37 CO 0.73 -0.26 0.26 -0.69 0.21 0.00 0.00 175.17 175.42 1mwb s VAL 38 N 0.43 -0.00 0.69 -1.27 1.01 -1.25 -5.12 120.40 114.88 1mwb s VAL 38 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 1mwb s VAL 38 Cb -0.20 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1mwb s VAL 38 CO -0.03 0.00 1.14 1.51 0.00 0.00 0.00 175.10 177.73 1mwb s ASP 39 N 0.16 4.70 0.47 3.32 1.47 -1.26 -4.91 116.67 120.63 1mwb s ASP 39 Ca -0.00 2.13 0.14 0.00 1.18 0.00 0.00 52.55 56.00 1mwb s ASP 39 Cb -0.02 -2.56 1.10 0.00 -0.34 0.00 0.00 42.92 41.09 1mwb s ASP 39 CO 0.00 -1.91 2.06 0.00 0.68 0.00 0.00 175.17 176.01 1mwb h MET 40 N -0.16 0.06 0.27 2.11 -0.00 -2.01 -2.91 114.93 112.29 1mwb h MET 40 Ca -0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.21 1mwb h MET 40 Cb 1.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.85 1mwb h MET 40 CO 0.52 0.13 -0.15 0.00 -0.00 0.00 0.00 176.91 177.40 1mwb h ALA 41 N 1.88 -0.39 -0.64 -3.00 0.00 -2.00 -1.90 119.26 113.21 1mwb h ALA 41 Ca 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 41 Cb 0.15 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1mwb h ALA 41 CO 0.01 -0.73 0.30 0.87 0.00 0.00 0.00 179.25 179.70 1mwb h LYS 42 N -0.40 0.90 -0.74 0.00 1.57 -1.90 -2.51 116.57 113.49 1mwb h LYS 42 Ca -0.03 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1mwb h LYS 42 Cb 0.33 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1mwb h LYS 42 CO 0.04 0.71 0.49 1.96 -0.57 0.00 0.00 179.45 182.07 1mwb h GLN 43 N 0.90 0.96 -0.56 3.15 1.08 -1.30 0.77 115.11 120.11 1mwb h GLN 43 Ca 0.22 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1mwb h GLN 43 Cb 0.11 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1mwb h GLN 43 CO -0.03 0.64 0.25 -0.09 -0.95 0.00 0.00 178.83 178.65 1mwb h ARG 44 N 0.99 0.82 -0.01 1.46 2.43 -0.93 0.20 114.38 119.34 1mwb h ARG 44 Ca 0.27 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1mwb h ARG 44 Cb -0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1mwb h ARG 44 CO -0.06 0.69 -0.19 0.00 -1.51 0.00 0.00 179.97 178.90 1mwb h ALA 45 N 1.09 0.04 -0.16 2.80 0.00 -1.09 -2.09 119.26 119.85 1mwb h ALA 45 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mwb h ALA 45 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mwb h ALA 45 CO -0.02 0.04 0.10 1.25 0.00 0.00 0.00 179.25 180.62 1mwb h HIS 46 N -0.51 0.20 -0.42 0.00 -0.00 0.56 0.23 115.15 115.20 1mwb h HIS 46 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 1mwb h HIS 46 Cb 0.92 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 1mwb h HIS 46 CO 0.17 0.14 0.12 1.96 -0.00 0.00 0.00 177.93 180.33 1mwb h GLN 47 N 0.20 0.67 -0.63 5.26 1.08 -1.07 -1.71 115.11 118.91 1mwb h GLN 47 Ca 0.06 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1mwb h GLN 47 Cb -0.00 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1mwb h GLN 47 CO -0.01 0.67 0.21 -0.22 -0.95 0.00 0.00 178.83 178.53 1mwb h LYS 48 N 0.55 0.96 -0.74 1.46 3.64 -1.19 -2.53 116.57 118.72 1mwb h LYS 48 Ca 0.14 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1mwb h LYS 48 Cb 0.28 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1mwb h LYS 48 CO -0.00 0.84 0.28 0.00 -2.27 0.00 0.00 179.45 178.30 1mwb h ALA 49 N 1.08 1.10 -0.28 5.00 0.00 -0.40 -1.45 119.26 124.30 1mwb h ALA 49 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 49 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1mwb h ALA 49 CO -0.01 0.64 0.16 0.35 0.00 0.00 0.00 179.25 180.39 1mwb h PHE 50 N 1.08 0.38 -0.70 0.00 3.57 -1.05 -1.49 116.94 118.73 1mwb h PHE 50 Ca 0.25 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1mwb h PHE 50 Cb 0.23 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1mwb h PHE 50 CO 0.02 0.30 0.24 1.25 -2.23 0.00 0.00 178.31 177.89 1mwb h LEU 51 N 0.35 1.00 -0.68 0.59 6.46 -1.24 -2.13 115.31 119.67 1mwb h LEU 51 Ca 0.10 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1mwb h LEU 51 Cb 0.03 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 1mwb h LEU 51 CO -0.02 0.93 0.43 0.74 -0.62 0.00 0.00 178.44 179.91 1mwb h THR 52 N 1.02 1.19 -0.74 1.05 2.02 -0.99 -1.62 112.91 114.84 1mwb h THR 52 Ca 0.23 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1mwb h THR 52 Cb 0.27 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1mwb h THR 52 CO -0.01 0.18 0.23 0.22 0.37 0.00 0.00 175.52 176.51 1mwb h TYR 53 N 0.93 1.19 -0.22 3.16 3.20 -1.02 -2.62 116.97 121.58 1mwb h TYR 53 Ca 0.25 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1mwb h TYR 53 Cb -0.07 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.84 1mwb h TYR 53 CO -0.02 0.94 -0.20 0.00 -1.64 0.00 0.00 178.16 177.24 1mwb h ALA 54 N 1.12 1.25 -0.23 1.82 0.00 -0.97 2.28 119.26 124.54 1mwb h ALA 54 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 54 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mwb h ALA 54 CO -0.01 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.92 1mwb n PHE 55 N -4.17 0.30 0.00 0.00 3.01 -0.65 -4.56 117.46 111.40 1mwb n PHE 55 Ca -0.00 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1mwb n PHE 55 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1mwb n PHE 55 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mwb n GLY 56 N 0.95 -1.80 3.76 1.37 0.00 -0.84 -5.06 105.19 103.57 1mwb n GLY 56 Ca 0.10 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 1mwb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mwb s GLY 57 N 0.00 2.97 0.18 -0.02 0.00 0.77 -4.70 107.32 106.52 1mwb s GLY 57 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1mwb s GLY 57 CO 0.00 1.74 0.91 -1.59 0.00 0.00 0.00 173.10 174.16 1mwb s THR 58 N -0.99 4.26 0.36 0.90 2.01 -1.26 -4.95 115.64 115.97 1mwb s THR 58 Ca 0.48 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.51 1mwb s THR 58 Cb -0.36 -4.29 0.25 0.00 0.01 0.00 0.00 72.50 68.12 1mwb s THR 58 CO 0.46 0.45 2.01 -2.24 -0.69 0.00 0.00 174.62 174.60 1mwb h ASP 59 N 4.63 0.66 -3.40 3.53 2.03 -1.96 -3.41 116.42 118.49 1mwb h ASP 59 Ca -0.45 -0.03 -0.39 0.00 -0.73 0.00 0.00 57.03 55.43 1mwb h ASP 59 Cb 1.20 -0.16 -0.36 0.00 -0.83 0.00 0.00 39.33 39.18 1mwb h ASP 59 CO 0.69 0.49 -0.76 -0.75 -1.03 0.00 0.00 179.24 177.88 1mwb s LYS 60 N -5.61 0.52 -0.08 4.15 2.20 -1.26 -4.88 119.74 114.78 1mwb s LYS 60 Ca -0.09 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1mwb s LYS 60 Cb 0.17 -0.74 0.01 0.00 -1.51 0.00 0.00 37.83 35.77 1mwb s LYS 60 CO 0.76 -0.18 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.96 1mwb s TYR 61 N 1.36 1.64 -0.00 4.03 5.04 -1.26 -5.12 117.35 123.03 1mwb s TYR 61 Ca -0.05 -0.66 -0.25 0.00 -2.44 0.00 0.00 57.07 53.68 1mwb s TYR 61 Cb -0.13 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 40.94 1mwb s TYR 61 CO -0.02 -0.34 0.77 -0.51 -1.34 0.00 0.00 175.55 174.11 1mwb s ASP 62 N 0.76 7.15 0.00 4.32 1.01 -1.26 -4.88 116.67 123.78 1mwb s ASP 62 Ca -0.12 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.52 1mwb s ASP 62 Cb -0.16 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1mwb s ASP 62 CO 0.03 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1mwb n GLY 63 N 2.73 -1.12 0.29 0.21 0.00 -1.26 -5.00 105.19 101.04 1mwb n GLY 63 Ca -0.01 0.44 0.15 0.00 0.00 0.00 0.00 46.02 46.60 1mwb n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mwb h ARG 64 N 0.00 0.00 -0.85 1.61 0.11 -2.02 -1.33 114.38 111.90 1mwb h ARG 64 Ca 0.00 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.20 1mwb h ARG 64 Cb 0.00 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.00 1mwb h ARG 64 CO 0.00 0.00 0.47 -0.92 0.10 0.00 0.00 179.97 179.62 1mwb h TYR 65 N 0.00 0.84 -0.89 4.08 5.03 -2.00 -0.70 116.97 123.34 1mwb h TYR 65 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1mwb h TYR 65 Cb 0.45 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.44 1mwb h TYR 65 CO 0.00 0.29 0.51 0.52 -1.32 0.00 0.00 178.16 178.15 1mwb h MET 66 N 0.74 1.22 -0.72 1.82 0.00 -1.63 -2.06 114.93 114.31 1mwb h MET 66 Ca 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 59.70 59.99 1mwb h MET 66 Cb 0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 31.60 31.82 1mwb h MET 66 CO -0.30 0.88 0.39 -0.09 0.00 0.00 0.00 176.91 177.79 1mwb h ARG 67 N 1.23 1.00 -0.67 1.72 2.43 -1.30 1.00 114.38 119.80 1mwb h ARG 67 Ca 0.31 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1mwb h ARG 67 Cb -0.00 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1mwb h ARG 67 CO -0.05 0.76 0.12 0.93 -1.51 0.00 0.00 179.97 180.21 1mwb h GLU 68 N 0.99 1.09 0.18 0.20 5.08 -0.92 -0.59 114.58 120.61 1mwb h GLU 68 Ca 0.25 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1mwb h GLU 68 Cb 0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1mwb h GLU 68 CO -0.04 0.99 -0.09 0.00 -1.00 0.00 0.00 179.01 178.87 1mwb h ALA 69 N 1.10 -0.24 -1.00 3.43 0.00 -1.11 -3.09 119.26 118.34 1mwb h ALA 69 Ca 0.21 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mwb h ALA 69 Cb 0.42 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1mwb h ALA 69 CO 0.01 -0.26 0.66 0.45 0.00 0.00 0.00 179.25 180.11 1mwb h HIS 70 N -1.00 1.25 -0.79 0.00 3.86 -0.88 -2.33 115.15 115.27 1mwb h HIS 70 Ca -0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1mwb h HIS 70 Cb 0.39 -0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 1mwb h HIS 70 CO 0.05 0.76 0.35 1.57 0.86 0.00 0.00 177.93 181.52 1mwb h LYS 71 N 1.32 1.15 -0.90 2.45 2.10 -1.23 -1.74 116.57 119.72 1mwb h LYS 71 Ca 0.38 -0.18 0.14 0.00 -2.00 0.00 0.00 60.65 58.99 1mwb h LYS 71 Cb -0.09 -0.20 -0.07 0.00 -0.90 0.00 0.00 32.23 30.97 1mwb h LYS 71 CO -0.10 0.90 0.58 1.49 -2.00 0.00 0.00 179.45 180.32 1mwb h GLU 72 N 1.13 0.69 -0.64 0.07 4.81 -1.33 0.20 114.58 119.50 1mwb h GLU 72 Ca 0.27 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1mwb h GLU 72 Cb 0.16 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1mwb h GLU 72 CO -0.03 0.45 0.17 -0.07 -0.73 0.00 0.00 179.01 178.81 1mwb h LEU 73 N 0.71 0.94 -0.58 1.64 3.38 -1.20 -0.01 115.31 120.17 1mwb h LEU 73 Ca 0.45 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1mwb h LEU 73 Cb 0.71 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1mwb h LEU 73 CO -0.21 0.90 0.06 0.58 0.09 0.00 0.00 178.44 179.86 1mwb h VAL 74 N 0.96 1.26 -0.07 1.22 2.07 -0.43 0.62 116.25 121.87 1mwb h VAL 74 Ca 0.21 -1.04 -0.23 0.00 0.82 0.00 0.00 66.70 66.45 1mwb h VAL 74 Cb 0.32 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1mwb h VAL 74 CO -0.00 0.38 -0.88 -0.33 0.02 0.00 0.00 177.57 176.75 1mwb h GLU 75 N 0.89 0.65 0.04 1.57 4.39 -1.00 -2.30 114.58 118.81 1mwb h GLU 75 Ca 0.17 -0.61 -0.32 0.00 0.34 0.00 0.00 59.36 58.95 1mwb h GLU 75 Cb 0.47 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1mwb h GLU 75 CO 0.02 1.21 -1.77 0.09 -1.16 0.00 0.00 179.01 177.40 1mwb n ASN 76 N -3.86 1.96 0.03 1.42 3.02 -0.04 -4.54 115.26 113.25 1mwb n ASN 76 Ca -0.08 0.30 0.11 0.00 -0.03 0.00 0.00 54.58 54.89 1mwb n ASN 76 Cb 0.80 -0.87 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1mwb n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mwb n HIS 77 N -4.04 0.31 -2.69 3.10 8.25 0.20 -4.99 115.22 115.36 1mwb n HIS 77 Ca -0.37 0.09 -0.06 0.00 -0.26 0.00 0.00 57.72 57.12 1mwb n HIS 77 Cb 0.84 -0.50 0.02 0.00 1.12 0.00 0.00 29.99 31.48 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 1.33 0.50 3.71 -1.41 0.00 -0.30 -4.96 105.19 104.07 1mwb n GLY 78 Ca 0.01 -0.42 -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 -2.73 4.37 0.00 0.99 2.96 -1.17 -4.95 118.68 118.15 1mwb s LEU 79 Ca 0.12 2.25 0.04 0.00 -0.22 0.00 0.00 54.13 56.32 1mwb s LEU 79 Cb -0.05 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1mwb s LEU 79 CO 0.19 -0.62 0.15 -0.46 -1.32 0.00 0.00 176.35 174.29 1mwb n ASN 80 N 4.00 1.23 0.03 3.68 6.94 -1.26 -4.61 115.26 125.28 1mwb n ASN 80 Ca 0.11 -3.25 0.13 0.00 -0.02 0.00 0.00 54.58 51.55 1mwb n ASN 80 Cb 0.43 1.07 0.59 0.00 -2.36 0.00 0.00 39.78 39.51 1mwb n ASN 80 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1mwb h GLY 81 N 1.69 0.25 0.87 4.83 0.00 -1.98 -1.49 103.07 107.24 1mwb h GLY 81 Ca -0.33 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 46.97 1mwb h GLY 81 CO 0.52 0.05 0.66 0.83 0.00 0.00 0.00 176.54 178.60 1mwb h GLU 82 N 0.19 1.23 -0.33 4.80 5.08 -1.99 0.39 114.58 123.95 1mwb h GLU 82 Ca 0.19 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1mwb h GLU 82 Cb 0.52 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1mwb h GLU 82 CO -0.03 0.81 0.10 0.45 -1.00 0.00 0.00 179.01 179.34 1mwb h HIS 83 N 1.26 0.54 -0.63 4.33 3.86 -1.67 -2.47 115.15 120.37 1mwb h HIS 83 Ca 0.40 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1mwb h HIS 83 Cb 0.02 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1mwb h HIS 83 CO -0.00 0.54 0.40 0.35 0.86 0.00 0.00 177.93 180.09 1mwb h PHE 84 N 0.38 0.81 -0.94 2.45 3.57 -1.31 -2.29 116.94 119.62 1mwb h PHE 84 Ca 0.11 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1mwb h PHE 84 Cb 0.26 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1mwb h PHE 84 CO 0.01 0.53 0.61 0.22 -2.23 0.00 0.00 178.31 177.45 1mwb h ASP 85 N 0.86 0.94 -0.39 0.41 3.58 -0.75 0.14 116.42 121.20 1mwb h ASP 85 Ca 0.23 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 1mwb h ASP 85 Cb -0.07 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1mwb h ASP 85 CO -0.05 0.59 0.14 0.00 -2.88 0.00 0.00 179.24 177.04 1mwb h ALA 86 N 1.50 0.51 -0.30 -0.78 0.00 -0.95 0.44 119.26 119.67 1mwb h ALA 86 Ca 0.41 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1mwb h ALA 86 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mwb h ALA 86 CO -0.16 0.13 -0.06 0.28 0.00 0.00 0.00 179.25 179.44 1mwb h VAL 87 N 0.48 1.28 -0.56 0.00 2.07 -1.03 -2.28 116.25 116.21 1mwb h VAL 87 Ca 0.13 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1mwb h VAL 87 Cb 0.23 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1mwb h VAL 87 CO -0.01 0.35 0.02 0.00 0.02 0.00 0.00 177.57 177.95 1mwb h ALA 88 N 0.79 0.75 -0.75 1.67 0.00 -0.63 -2.80 119.26 118.30 1mwb h ALA 88 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mwb h ALA 88 Cb 0.54 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1mwb h ALA 88 CO 0.03 0.57 0.46 1.49 0.00 0.00 0.00 179.25 181.80 1mwb h GLU 89 N 0.87 1.00 -0.98 0.00 4.81 -0.06 -1.96 114.58 118.26 1mwb h GLU 89 Ca 0.16 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1mwb h GLU 89 Cb 0.52 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1mwb h GLU 89 CO 0.03 0.69 0.63 -0.44 -0.73 0.00 0.00 179.01 179.18 1mwb h ASP 90 N 1.02 1.14 -0.83 1.04 3.32 -1.15 -2.11 116.42 118.86 1mwb h ASP 90 Ca 0.27 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1mwb h ASP 90 Cb -0.06 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 1mwb h ASP 90 CO -0.05 0.85 0.45 0.25 -1.72 0.00 0.00 179.24 179.01 1mwb h LEU 91 N 1.33 1.04 -1.10 1.55 5.85 -1.22 -2.32 115.31 120.44 1mwb h LEU 91 Ca 0.36 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1mwb h LEU 91 Cb -0.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 1mwb h LEU 91 CO -0.07 0.85 0.16 -0.07 -0.34 0.00 0.00 178.44 178.96 1mwb h LEU 92 N 1.16 0.74 -0.94 2.25 3.38 -1.13 -2.56 115.31 118.20 1mwb h LEU 92 Ca 0.29 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1mwb h LEU 92 Cb 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1mwb h LEU 92 CO -0.05 0.70 0.62 0.00 0.09 0.00 0.00 178.44 179.81 1mwb h ALA 93 N 1.40 1.21 -0.71 1.53 0.00 -0.87 -1.68 119.26 120.14 1mwb h ALA 93 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1mwb h ALA 93 Cb 0.24 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1mwb h ALA 93 CO -0.01 0.57 0.35 1.15 0.00 0.00 0.00 179.25 181.31 1mwb h THR 94 N 1.26 1.23 -0.75 0.00 2.02 -1.29 -2.53 112.91 112.85 1mwb h THR 94 Ca 0.35 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1mwb h THR 94 Cb -0.11 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1mwb h THR 94 CO -0.09 0.27 0.25 -0.07 0.37 0.00 0.00 175.52 176.26 1mwb h LEU 95 N 0.99 1.08 -1.10 2.58 3.38 -1.23 -2.73 115.31 118.27 1mwb h LEU 95 Ca 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mwb h LEU 95 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1mwb h LEU 95 CO -0.03 0.99 0.36 0.11 0.09 0.00 0.00 178.44 179.96 1mwb h LYS 96 N 1.11 0.99 -0.67 1.13 1.57 -1.01 -2.40 116.57 117.29 1mwb h LYS 96 Ca 0.24 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1mwb h LYS 96 Cb 0.29 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1mwb h LYS 96 CO -0.01 0.75 0.40 1.49 -0.57 0.00 0.00 179.45 181.51 1mwb h GLU 97 N 1.00 0.92 -0.15 3.15 4.81 -1.15 -1.88 114.58 121.27 1mwb h GLU 97 Ca 0.25 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1mwb h GLU 97 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1mwb h GLU 97 CO -0.04 0.66 -0.13 0.52 -0.73 0.00 0.00 179.01 179.29 1mwb h MET 98 N 0.92 0.24 0.00 1.92 2.86 -1.33 -3.47 114.93 116.07 1mwb h MET 98 Ca 0.24 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1mwb h MET 98 Cb -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1mwb h MET 98 CO -0.04 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.72 1mwb n GLY 99 N -0.87 1.17 3.75 8.32 0.00 -0.71 -5.04 105.19 111.81 1mwb n GLY 99 Ca -0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1mwb n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwb n VAL 100 N -2.22 1.09 -1.51 1.61 0.31 -1.18 -4.89 118.33 111.55 1mwb n VAL 100 Ca 0.00 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 1mwb n VAL 100 Cb 0.12 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1mwb n VAL 100 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1mwb n PRO 101 N 2.05 0.83 0.11 5.55 -0.04 -1.26 -4.79 135.00 137.44 1mwb n PRO 101 Ca 0.08 0.30 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1mwb n PRO 101 Cb 0.37 -1.66 0.49 0.00 -0.04 0.00 0.00 33.50 32.66 1mwb n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mwb h GLU 102 N 1.14 0.31 -0.71 0.54 4.39 -2.00 -2.43 114.58 115.81 1mwb h GLU 102 Ca -0.41 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.34 1mwb h GLU 102 Cb 1.38 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1mwb h GLU 102 CO 0.54 0.25 0.39 0.22 -1.16 0.00 0.00 179.01 179.25 1mwb h ASP 103 N 0.31 0.57 -0.30 1.42 3.58 -2.01 -1.70 116.42 118.28 1mwb h ASP 103 Ca 0.08 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.40 1mwb h ASP 103 Cb 0.05 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1mwb h ASP 103 CO -0.01 0.35 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.15 1mwb h LEU 104 N 0.70 0.95 -1.00 2.28 3.38 -1.79 -2.74 115.31 117.10 1mwb h LEU 104 Ca 0.33 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1mwb h LEU 104 Cb 0.25 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1mwb h LEU 104 CO -0.21 1.29 0.63 0.40 0.09 0.00 0.00 178.44 180.64 1mwb h ILE 105 N 0.65 0.99 -0.37 1.22 2.04 -1.18 0.97 117.51 121.83 1mwb h ILE 105 Ca 0.03 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1mwb h ILE 105 Cb 1.09 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1mwb h ILE 105 CO 0.11 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.46 1mwb h ALA 106 N 1.50 0.50 -0.42 1.87 0.00 -1.26 0.48 119.26 121.92 1mwb h ALA 106 Ca 0.46 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1mwb h ALA 106 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mwb h ALA 106 CO -0.22 0.27 -0.26 0.93 0.00 0.00 0.00 179.25 179.97 1mwb h GLU 107 N 0.47 0.92 -0.41 0.00 5.08 -0.91 -0.51 114.58 119.21 1mwb h GLU 107 Ca 0.11 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1mwb h GLU 107 Cb 0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1mwb h GLU 107 CO 0.02 1.08 0.08 0.28 -1.00 0.00 0.00 179.01 179.47 1mwb h VAL 108 N 0.75 1.24 -0.08 3.13 2.07 0.10 -2.65 116.25 120.81 1mwb h VAL 108 Ca 0.09 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1mwb h VAL 108 Cb 0.83 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1mwb h VAL 108 CO 0.07 0.29 -0.34 0.00 0.02 0.00 0.00 177.57 177.61 1mwb h ALA 109 N 0.94 1.28 -0.68 1.67 0.00 -0.84 -2.82 119.26 118.80 1mwb h ALA 109 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1mwb h ALA 109 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1mwb h ALA 109 CO 0.01 0.50 0.37 0.00 0.00 0.00 0.00 179.25 180.13 1mwb h ALA 110 N 1.51 1.38 -0.08 0.00 0.00 -0.74 1.66 119.26 122.99 1mwb h ALA 110 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mwb h ALA 110 Cb 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 110 CO 0.05 0.51 0.04 0.28 0.00 0.00 0.00 179.25 180.13 1mwb h VAL 111 N 0.94 1.11 0.04 0.00 2.07 -1.26 -2.20 116.25 116.95 1mwb h VAL 111 Ca 0.24 -0.32 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 1mwb h VAL 111 Cb 0.02 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mwb h VAL 111 CO -0.04 0.09 -1.03 0.00 0.02 0.00 0.00 177.57 176.61 1mwb h ALA 112 N 0.91 0.29 -0.06 1.67 0.00 -1.50 -3.19 119.26 117.39 1mwb h ALA 112 Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.19 1mwb h ALA 112 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mwb h ALA 112 CO -0.00 0.87 0.10 0.78 0.00 0.00 0.00 179.25 180.99 1mwb h GLY 113 N 1.37 0.00 -6.82 0.00 0.00 0.26 -3.43 103.07 94.46 1mwb h GLY 113 Ca -0.10 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.54 1mwb h GLY 113 CO 0.17 0.00 1.29 0.00 0.00 0.00 0.00 176.54 178.00 1mwb n ALA 114 N -2.23 0.69 0.00 3.60 0.00 -0.84 -4.74 120.51 117.00 1mwb n ALA 114 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1mwb n ALA 114 Cb 0.19 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1mwb n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1mwb n PRO 115 N 7.47 0.00 -0.02 0.00 -0.02 -1.26 -2.50 135.00 138.67 1mwb n PRO 115 Ca 0.40 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 1mwb n PRO 115 Cb 0.17 -1.51 0.48 0.00 -0.02 0.00 0.00 33.50 32.62 1mwb n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mwb h ALA 116 N 1.84 1.89 0.00 3.55 0.00 -1.91 -0.81 119.26 123.82 1mwb h ALA 116 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1mwb h ALA 116 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mwb h ALA 116 CO 0.00 0.04 -0.21 1.12 0.00 0.00 0.00 179.25 180.20 1mwb h HIS 117 N 0.43 0.00 -0.69 0.00 2.07 -1.81 -3.21 115.15 111.94 1mwb h HIS 117 Ca 0.20 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.67 1mwb h HIS 117 Cb 0.24 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.19 1mwb h HIS 117 CO -0.00 0.21 0.24 0.87 -3.07 0.00 0.00 177.93 176.18 1mwb h LYS 118 N 0.00 1.04 -0.86 5.12 1.57 -1.36 0.53 116.57 122.61 1mwb h LYS 118 Ca -0.00 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1mwb h LYS 118 Cb 0.94 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1mwb h LYS 118 CO 0.03 0.87 0.54 -0.09 -0.57 0.00 0.00 179.45 180.23 1mwb h ARG 119 N 1.01 0.99 0.17 3.15 2.43 -1.57 0.31 114.38 120.86 1mwb h ARG 119 Ca 0.23 -0.06 -0.34 0.00 -0.81 0.00 0.00 59.98 59.00 1mwb h ARG 119 Cb 0.24 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1mwb h ARG 119 CO -0.01 0.65 -1.65 -0.44 -1.51 0.00 0.00 179.97 177.00 1mwb h ASP 120 N 1.02 0.57 0.00 -3.80 3.32 -1.61 -3.06 116.42 112.86 1mwb h ASP 120 Ca 0.36 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1mwb h ASP 120 Cb 0.10 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1mwb h ASP 120 CO -0.15 1.67 0.00 0.52 -1.72 0.00 0.00 179.24 179.56 1mwb n VAL 121 N -3.56 0.00 -0.02 -1.35 0.31 0.18 -4.33 118.33 109.57 1mwb n VAL 121 Ca -0.21 0.53 -0.02 0.00 -0.01 0.00 0.00 64.34 64.62 1mwb n VAL 121 Cb 1.07 -1.44 0.23 0.00 -0.91 0.00 0.00 33.84 32.79 1mwb n VAL 121 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1mwb h LEU 122 N 0.00 0.55 -1.27 7.52 3.38 -0.69 -3.40 115.31 121.40 1mwb h LEU 122 Ca 0.00 -0.14 -0.43 0.00 0.09 0.00 0.00 57.88 57.41 1mwb h LEU 122 Cb 0.00 -0.15 0.05 0.00 0.09 0.00 0.00 40.66 40.65 1mwb h LEU 122 CO 0.00 0.68 -0.77 0.59 0.09 0.00 0.00 178.44 179.03 1mwb n ASN 123 N -4.21 -3.74 0.00 -0.43 3.02 0.16 -4.87 115.26 105.19 1mwb n ASN 123 Ca 0.01 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1mwb n ASN 123 Cb 0.31 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64