#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwb h THR 3 N 0.00 0.11 -0.69 2.46 1.35 -2.02 -2.88 112.91 111.24 1mwb h THR 3 Ca 0.00 -0.57 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1mwb h THR 3 Cb 0.00 1.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.89 1mwb h THR 3 CO 0.00 0.04 0.46 -0.07 -0.25 0.00 0.00 175.52 175.69 1mwb h LEU 4 N 0.00 0.73 -1.29 3.87 3.38 -2.04 -1.35 115.31 118.60 1mwb h LEU 4 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1mwb h LEU 4 Cb 0.51 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1mwb h LEU 4 CO 0.00 0.50 0.05 1.88 0.09 0.00 0.00 178.44 180.97 1mwb h TYR 5 N 0.85 0.54 -0.87 1.13 0.05 -1.95 -2.49 116.97 114.24 1mwb h TYR 5 Ca 0.27 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 1mwb h TYR 5 Cb 0.04 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 1mwb h TYR 5 CO -0.00 0.50 0.43 0.93 -1.05 0.00 0.00 178.16 178.96 1mwb h GLU 6 N 0.52 1.24 -0.33 4.88 5.08 -1.39 0.40 114.58 124.98 1mwb h GLU 6 Ca 0.12 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1mwb h GLU 6 Cb 0.26 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1mwb h GLU 6 CO 0.00 0.94 0.11 0.87 -1.00 0.00 0.00 179.01 179.94 1mwb h LYS 7 N 1.23 0.51 -0.06 2.33 1.57 -1.37 -2.66 116.57 118.12 1mwb h LYS 7 Ca 0.30 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1mwb h LYS 7 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1mwb h LYS 7 CO -0.04 0.53 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.85 1mwb h LEU 8 N 0.38 0.15 0.00 2.94 3.38 -1.22 -3.46 115.31 117.47 1mwb h LEU 8 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mwb h LEU 8 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1mwb h LEU 8 CO -0.01 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1mwb n GLY 9 N -0.14 0.56 1.24 0.83 0.00 0.13 -4.95 105.19 102.87 1mwb n GLY 9 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.50 0.00 -0.02 0.00 -0.74 -4.96 105.19 94.97 1mwb n GLY 10 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.03 0.00 0.30 2.61 5.66 -1.26 -4.97 114.28 112.60 1mwb n THR 11 Ca -0.07 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.10 1mwb n THR 11 Cb 0.55 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 70.09 1mwb n THR 11 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1mwb h THR 12 N 0.00 0.00 -0.42 1.09 1.35 -2.00 -2.77 112.91 110.17 1mwb h THR 12 Ca 0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1mwb h THR 12 Cb 0.00 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1mwb h THR 12 CO 0.00 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.48 1mwb h ALA 13 N 2.06 0.54 -0.51 6.62 0.00 -2.00 -0.27 119.26 125.71 1mwb h ALA 13 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1mwb h ALA 13 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mwb h ALA 13 CO 0.00 0.09 0.14 0.28 0.00 0.00 0.00 179.25 179.76 1mwb h VAL 14 N 0.54 1.24 -0.69 0.00 2.07 -1.88 -2.61 116.25 114.90 1mwb h VAL 14 Ca 0.14 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1mwb h VAL 14 Cb 0.10 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1mwb h VAL 14 CO -0.02 0.30 0.41 -0.78 0.02 0.00 0.00 177.57 177.50 1mwb h ASP 15 N 0.69 0.83 -0.85 0.57 3.58 -1.52 -2.16 116.42 117.56 1mwb h ASP 15 Ca 0.16 -0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1mwb h ASP 15 Cb 0.31 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.09 1mwb h ASP 15 CO -0.00 0.65 0.51 0.25 -2.88 0.00 0.00 179.24 177.76 1mwb h LEU 16 N 0.95 0.77 -0.35 2.28 5.85 -0.66 0.78 115.31 124.93 1mwb h LEU 16 Ca 0.25 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1mwb h LEU 16 Cb -0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1mwb h LEU 16 CO -0.05 0.46 0.01 0.00 -0.34 0.00 0.00 178.44 178.53 1mwb h ALA 17 N 1.43 0.47 -0.31 1.25 0.00 -1.29 -1.71 119.26 119.10 1mwb h ALA 17 Ca 0.39 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1mwb h ALA 17 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mwb h ALA 17 CO -0.21 0.22 -0.20 0.28 0.00 0.00 0.00 179.25 179.34 1mwb h VAL 18 N 0.43 1.29 -0.28 0.00 2.07 -1.03 -1.66 116.25 117.08 1mwb h VAL 18 Ca 0.10 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1mwb h VAL 18 Cb 0.43 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1mwb h VAL 18 CO 0.02 0.43 0.17 -0.78 0.02 0.00 0.00 177.57 177.43 1mwb h ASP 19 N 0.45 0.29 -0.37 0.57 3.58 0.59 0.22 116.42 121.76 1mwb h ASP 19 Ca 0.06 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1mwb h ASP 19 Cb 0.75 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1mwb h ASP 19 CO 0.06 0.21 0.11 0.50 -2.88 0.00 0.00 179.24 177.24 1mwb h LYS 20 N 0.36 0.58 -0.91 0.28 1.63 -1.32 -2.74 116.57 114.46 1mwb h LYS 20 Ca 0.11 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1mwb h LYS 20 Cb -0.02 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 1mwb h LYS 20 CO -0.04 0.61 0.55 0.35 -3.45 0.00 0.00 179.45 177.47 1mwb h PHE 21 N 0.45 1.19 -0.42 1.91 3.57 -1.01 -2.34 116.94 120.30 1mwb h PHE 21 Ca 0.12 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1mwb h PHE 21 Cb 0.27 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1mwb h PHE 21 CO 0.01 0.79 0.21 -0.92 -2.23 0.00 0.00 178.31 176.17 1mwb h TYR 22 N 1.25 0.40 -0.50 0.41 3.20 -0.33 -2.47 116.97 118.91 1mwb h TYR 22 Ca 0.33 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 1mwb h TYR 22 Cb -0.06 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1mwb h TYR 22 CO 0.00 0.21 -0.09 0.93 -1.64 0.00 0.00 178.16 177.56 1mwb h GLU 23 N 0.43 0.92 -0.70 1.82 4.39 -1.22 -2.92 114.58 117.29 1mwb h GLU 23 Ca 0.18 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1mwb h GLU 23 Cb 0.08 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1mwb h GLU 23 CO -0.12 0.97 0.47 0.00 -1.16 0.00 0.00 179.01 179.16 1mwb h ARG 24 N 0.83 0.92 -0.38 2.33 2.47 -1.08 -2.07 114.38 117.40 1mwb h ARG 24 Ca 0.14 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1mwb h ARG 24 Cb 0.62 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1mwb h ARG 24 CO 0.04 0.61 0.10 0.28 0.56 0.00 0.00 179.97 181.56 1mwb h VAL 25 N 0.95 1.22 -0.68 2.04 2.07 -1.26 -2.63 116.25 117.96 1mwb h VAL 25 Ca 0.26 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1mwb h VAL 25 Cb -0.10 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1mwb h VAL 25 CO -0.06 0.25 0.21 -0.07 0.02 0.00 0.00 177.57 177.93 1mwb h LEU 26 N 0.46 0.97 -1.57 2.57 3.38 -1.39 -2.48 115.31 117.25 1mwb h LEU 26 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1mwb h LEU 26 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1mwb h LEU 26 CO -0.00 0.91 0.02 1.56 0.09 0.00 0.00 178.44 181.02 1mwb h GLN 27 N 1.01 0.30 -6.39 1.13 1.08 -1.22 -3.39 115.11 107.62 1mwb h GLN 27 Ca 0.22 -0.04 -0.54 0.00 -1.45 0.00 0.00 58.65 56.84 1mwb h GLN 27 Cb 0.29 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1mwb h GLN 27 CO -0.01 0.31 1.08 0.34 -0.95 0.00 0.00 178.83 179.60 1mwb s ASP 28 N -6.85 6.14 0.41 1.46 2.15 -0.93 -4.86 116.67 114.18 1mwb s ASP 28 Ca -0.06 -0.07 0.10 0.00 0.43 0.00 0.00 52.55 52.95 1mwb s ASP 28 Cb 0.16 -2.55 0.85 0.00 -0.30 0.00 0.00 42.92 41.09 1mwb s ASP 28 CO 0.72 -1.77 1.96 -0.78 -0.17 0.00 0.00 175.17 175.14 1mwb h ASP 29 N 10.60 0.23 -0.99 -0.34 3.58 -1.83 -0.47 116.42 127.21 1mwb h ASP 29 Ca -0.27 -0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.28 1mwb h ASP 29 Cb 1.07 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.98 1mwb h ASP 29 CO 1.23 0.33 0.62 0.03 -2.88 0.00 0.00 179.24 178.57 1mwb h ARG 30 N 0.25 0.91 -0.01 0.28 2.47 -1.93 -2.60 114.38 113.74 1mwb h ARG 30 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1mwb h ARG 30 Cb 0.26 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1mwb h ARG 30 CO 0.01 0.60 -0.38 0.44 0.56 0.00 0.00 179.97 181.21 1mwb n ILE 31 N -4.62 0.00 -0.12 2.04 -5.35 -1.09 -4.53 119.36 105.69 1mwb n ILE 31 Ca 0.19 -0.31 0.10 0.00 -0.27 0.00 0.00 62.75 62.46 1mwb n ILE 31 Cb 0.39 1.11 0.45 0.00 -1.74 0.00 0.00 39.64 39.85 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 1.00 0.50 -0.89 6.28 3.64 -0.67 -1.02 116.57 125.42 1mwb h LYS 32 Ca 0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1mwb h LYS 32 Cb 0.40 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1mwb h LYS 32 CO 0.00 0.33 0.57 1.12 -2.27 0.00 0.00 179.45 179.21 1mwb h HIS 33 N 0.52 0.93 -0.61 1.91 2.07 -1.80 0.47 115.15 118.65 1mwb h HIS 33 Ca 0.29 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.80 1mwb h HIS 33 Cb 0.46 -0.30 -0.03 0.00 2.57 0.00 0.00 27.41 30.11 1mwb h HIS 33 CO -0.00 0.42 0.23 0.74 -3.07 0.00 0.00 177.93 176.25 1mwb h PHE 34 N 0.86 0.92 -0.59 6.12 0.04 -1.50 -2.10 116.94 120.68 1mwb h PHE 34 Ca 0.41 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1mwb h PHE 34 Cb 0.44 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1mwb h PHE 34 CO -0.00 0.72 0.00 1.19 -0.60 0.00 0.00 178.31 179.61 1mwb n PHE 35 N -4.31 1.00 -0.28 -0.55 3.72 0.26 -4.43 117.46 112.89 1mwb n PHE 35 Ca 0.05 -0.45 0.07 0.00 -0.05 0.00 0.00 57.45 57.07 1mwb n PHE 35 Cb 0.18 -0.09 0.30 0.00 -0.94 0.00 0.00 39.48 38.93 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 4.04 1.63 -2.61 4.37 0.00 0.55 -3.33 119.26 123.90 1mwb h ALA 36 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1mwb h ALA 36 Cb 1.00 -0.21 -0.39 0.00 0.00 0.00 0.00 17.79 18.19 1mwb h ALA 36 CO 0.08 0.20 -0.85 -0.51 0.00 0.00 0.00 179.25 178.17 1mwb s ASP 37 N -5.95 2.83 -0.10 0.00 1.01 -1.26 -5.09 116.67 108.10 1mwb s ASP 37 Ca -0.11 -2.42 -0.09 0.00 0.71 0.00 0.00 52.55 50.64 1mwb s ASP 37 Cb 0.21 -0.51 0.03 0.00 1.01 0.00 0.00 42.92 43.65 1mwb s ASP 37 CO 0.79 -0.28 0.27 -0.69 0.21 0.00 0.00 175.17 175.48 1mwb s VAL 38 N 0.76 -0.00 0.39 -1.27 1.01 -1.25 -5.13 120.40 114.90 1mwb s VAL 38 Ca 0.21 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1mwb s VAL 38 Cb -0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 1mwb s VAL 38 CO -0.03 0.00 1.35 1.51 0.00 0.00 0.00 175.10 177.93 1mwb s ASP 39 N 0.21 6.37 0.39 3.32 -4.77 -1.26 -4.90 116.67 116.03 1mwb s ASP 39 Ca -0.01 2.75 0.07 0.00 -3.30 0.00 0.00 52.55 52.07 1mwb s ASP 39 Cb -0.02 -2.65 0.82 0.00 -1.09 0.00 0.00 42.92 39.98 1mwb s ASP 39 CO -0.00 -0.82 2.00 0.24 0.70 0.00 0.00 175.17 177.29 1mwb h MET 40 N 2.84 0.62 -0.43 2.11 2.86 -2.00 -2.24 114.93 118.70 1mwb h MET 40 Ca -0.50 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1mwb h MET 40 Cb 1.24 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1mwb h MET 40 CO 0.63 0.41 0.23 0.00 1.06 0.00 0.00 176.91 179.24 1mwb h ALA 41 N 1.66 0.55 -0.71 6.32 0.00 -2.00 -2.10 119.26 122.98 1mwb h ALA 41 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1mwb h ALA 41 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1mwb h ALA 41 CO -0.07 0.09 0.34 -0.22 0.00 0.00 0.00 179.25 179.39 1mwb h LYS 42 N 0.56 1.03 -0.96 0.00 1.63 -1.79 -2.58 116.57 114.46 1mwb h LYS 42 Ca 0.15 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1mwb h LYS 42 Cb 0.07 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 1mwb h LYS 42 CO -0.02 0.81 0.61 1.96 -3.45 0.00 0.00 179.45 179.36 1mwb h GLN 43 N 1.00 1.29 -0.63 1.90 4.20 -1.20 0.22 115.11 121.90 1mwb h GLN 43 Ca 0.25 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1mwb h GLN 43 Cb 0.13 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1mwb h GLN 43 CO -0.03 0.88 0.41 -0.09 -0.67 0.00 0.00 178.83 179.33 1mwb h ARG 44 N 1.32 0.83 -0.15 1.46 2.43 -1.00 0.01 114.38 119.28 1mwb h ARG 44 Ca 0.35 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.30 1mwb h ARG 44 Cb -0.10 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1mwb h ARG 44 CO -0.07 0.56 -0.55 0.00 -1.51 0.00 0.00 179.97 178.39 1mwb h ALA 45 N 1.22 0.27 0.00 2.80 0.00 -1.14 -2.12 119.26 120.29 1mwb h ALA 45 Ca 0.23 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1mwb h ALA 45 Cb -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mwb h ALA 45 CO -0.05 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 180.93 1mwb h HIS 46 N 0.30 -0.00 -0.52 0.00 -0.00 -0.36 -1.71 115.15 112.85 1mwb h HIS 46 Ca -0.03 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 1mwb h HIS 46 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.57 1mwb h HIS 46 CO 0.10 -0.00 0.05 1.96 -0.00 0.00 0.00 177.93 180.03 1mwb h GLN 47 N -0.00 0.85 -0.74 5.26 4.20 -1.07 -2.40 115.11 121.21 1mwb h GLN 47 Ca -0.00 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1mwb h GLN 47 Cb 0.00 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1mwb h GLN 47 CO 0.00 0.82 0.49 -0.22 -0.67 0.00 0.00 178.83 179.25 1mwb h LYS 48 N 0.80 0.95 -0.44 1.46 3.64 -1.06 -1.68 116.57 120.24 1mwb h LYS 48 Ca 0.16 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1mwb h LYS 48 Cb 0.41 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1mwb h LYS 48 CO 0.01 0.63 -0.09 0.00 -2.27 0.00 0.00 179.45 177.73 1mwb h ALA 49 N 1.28 1.01 -0.12 5.00 0.00 -1.05 -1.93 119.26 123.45 1mwb h ALA 49 Ca 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mwb h ALA 49 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1mwb h ALA 49 CO -0.07 0.59 0.07 0.35 0.00 0.00 0.00 179.25 180.19 1mwb h PHE 50 N 0.71 0.16 -0.55 0.00 3.57 -0.88 0.05 116.94 120.00 1mwb h PHE 50 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1mwb h PHE 50 Cb 0.56 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1mwb h PHE 50 CO 0.03 0.17 0.21 1.25 -2.23 0.00 0.00 178.31 177.74 1mwb h LEU 51 N 0.11 0.76 -0.61 0.59 6.46 -1.23 -1.37 115.31 120.03 1mwb h LEU 51 Ca 0.04 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1mwb h LEU 51 Cb 0.05 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1mwb h LEU 51 CO -0.01 0.73 0.33 0.74 -0.62 0.00 0.00 178.44 179.62 1mwb h THR 52 N 0.75 1.20 -0.67 1.05 2.02 -1.15 0.75 112.91 116.85 1mwb h THR 52 Ca 0.18 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1mwb h THR 52 Cb 0.21 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1mwb h THR 52 CO -0.01 0.21 0.18 0.22 0.37 0.00 0.00 175.52 176.49 1mwb h TYR 53 N 0.82 1.10 -0.30 3.16 3.20 -0.76 -1.73 116.97 122.46 1mwb h TYR 53 Ca 0.21 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1mwb h TYR 53 Cb 0.05 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1mwb h TYR 53 CO -0.01 0.90 -0.32 0.00 -1.64 0.00 0.00 178.16 177.09 1mwb h ALA 54 N 1.08 0.45 -0.15 1.82 0.00 -0.95 1.00 119.26 122.51 1mwb h ALA 54 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1mwb h ALA 54 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mwb h ALA 54 CO -0.00 0.49 -0.15 0.74 0.00 0.00 0.00 179.25 180.33 1mwb h PHE 55 N 0.51 0.24 -0.73 0.00 -1.00 -0.74 -3.40 116.94 111.82 1mwb h PHE 55 Ca 0.05 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1mwb h PHE 55 Cb 0.89 -0.07 -0.16 0.00 3.61 0.00 0.00 35.95 40.22 1mwb h PHE 55 CO 0.07 0.38 -0.36 0.20 -1.61 0.00 0.00 178.31 176.99 1mwb s GLY 56 N -4.06 -1.46 0.80 -1.45 0.00 -0.66 -4.63 107.32 95.86 1mwb s GLY 56 Ca -0.05 0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.68 1mwb s GLY 56 CO 0.73 3.88 1.10 0.61 0.00 0.00 0.00 173.10 179.42 1mwb n GLY 57 N 3.16 -0.35 3.35 0.20 0.00 0.34 -4.66 105.19 107.22 1mwb n GLY 57 Ca 0.14 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.32 1.87 0.29 2.61 -4.23 -1.26 -5.04 115.64 106.56 1mwb s THR 58 Ca 0.67 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1mwb s THR 58 Cb -0.03 -1.94 0.26 0.00 1.34 0.00 0.00 72.50 72.14 1mwb s THR 58 CO 0.46 -0.39 1.96 0.44 -0.54 0.00 0.00 174.62 176.55 1mwb h ASP 59 N 3.00 0.99 -4.32 3.99 3.32 -1.99 -3.42 116.42 117.98 1mwb h ASP 59 Ca -0.41 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.06 1mwb h ASP 59 Cb 1.21 -0.24 -0.28 0.00 0.22 0.00 0.00 39.33 40.24 1mwb h ASP 59 CO 0.54 0.71 -0.83 -0.54 -1.72 0.00 0.00 179.24 177.40 1mwb s LYS 60 N -5.96 1.38 -0.11 3.56 1.02 -1.26 -5.01 119.74 113.36 1mwb s LYS 60 Ca -0.12 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.15 1mwb s LYS 60 Cb 0.18 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 1mwb s LYS 60 CO 0.80 0.37 -0.23 -0.47 -0.92 0.00 0.00 175.35 174.90 1mwb s TYR 61 N -0.60 2.55 0.20 3.18 5.04 -1.26 -5.12 117.35 121.34 1mwb s TYR 61 Ca 0.07 -1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 53.39 1mwb s TYR 61 Cb -0.08 -1.71 -0.08 0.00 0.35 0.00 0.00 41.96 40.44 1mwb s TYR 61 CO 0.00 -0.45 0.73 -0.51 -1.34 0.00 0.00 175.55 173.98 1mwb s ASP 62 N 0.44 7.15 0.00 4.32 1.01 -1.26 -4.68 116.67 123.65 1mwb s ASP 62 Ca -0.17 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1mwb s ASP 62 Cb -0.17 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1mwb s ASP 62 CO 0.07 0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1mwb n GLY 63 N 1.02 0.80 0.00 0.21 0.00 -1.26 -4.92 105.19 101.03 1mwb n GLY 63 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1mwb n GLY 63 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mwb n ARG 64 N 0.00 0.00 -0.35 1.61 1.85 -1.26 -2.04 116.66 116.46 1mwb n ARG 64 Ca 0.00 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.21 1mwb n ARG 64 Cb 0.00 -1.60 0.29 0.00 -1.05 0.00 0.00 32.46 30.10 1mwb n ARG 64 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1mwb h TYR 65 N 0.00 1.06 -0.93 2.89 5.03 -1.98 -0.02 116.97 123.02 1mwb h TYR 65 Ca 0.00 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.40 1mwb h TYR 65 Cb 0.19 -0.32 -0.06 0.00 1.55 0.00 0.00 36.73 38.09 1mwb h TYR 65 CO 0.00 0.30 0.60 0.52 -1.32 0.00 0.00 178.16 178.25 1mwb h MET 66 N 0.82 1.07 -0.77 1.82 0.00 -1.80 -1.61 114.93 114.47 1mwb h MET 66 Ca 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 59.70 60.14 1mwb h MET 66 Cb 0.75 -0.24 -0.03 0.00 0.00 0.00 0.00 31.60 32.07 1mwb h MET 66 CO -0.35 0.71 0.34 -0.09 0.00 0.00 0.00 176.91 177.52 1mwb h ARG 67 N 1.10 1.13 -0.60 1.72 2.43 -1.23 -0.01 114.38 118.92 1mwb h ARG 67 Ca 0.40 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1mwb h ARG 67 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1mwb h ARG 67 CO -0.16 0.90 0.13 0.93 -1.51 0.00 0.00 179.97 180.27 1mwb h GLU 68 N 1.10 0.97 0.06 0.20 5.08 -0.98 0.12 114.58 121.14 1mwb h GLU 68 Ca 0.26 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1mwb h GLU 68 Cb 0.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1mwb h GLU 68 CO -0.03 0.90 -0.03 0.00 -1.00 0.00 0.00 179.01 178.85 1mwb h ALA 69 N 1.03 -0.09 -0.53 3.43 0.00 -1.20 -3.17 119.26 118.73 1mwb h ALA 69 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1mwb h ALA 69 Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1mwb h ALA 69 CO 0.00 -0.20 0.09 0.45 0.00 0.00 0.00 179.25 179.59 1mwb h HIS 70 N -0.79 0.88 -0.66 0.00 3.86 -1.04 -2.77 115.15 114.63 1mwb h HIS 70 Ca -0.01 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1mwb h HIS 70 Cb 0.62 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1mwb h HIS 70 CO 0.14 0.76 0.29 1.57 0.86 0.00 0.00 177.93 181.54 1mwb h LYS 71 N 0.80 0.95 -0.67 2.45 2.10 -0.87 -1.59 116.57 119.75 1mwb h LYS 71 Ca 0.17 -0.14 0.03 0.00 -2.00 0.00 0.00 60.65 58.70 1mwb h LYS 71 Cb 0.36 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 1mwb h LYS 71 CO 0.01 0.76 0.44 0.93 -2.00 0.00 0.00 179.45 179.59 1mwb h GLU 72 N 0.94 0.80 -0.63 0.07 5.08 -1.46 -0.73 114.58 118.65 1mwb h GLU 72 Ca 0.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1mwb h GLU 72 Cb 0.15 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1mwb h GLU 72 CO -0.02 0.53 0.30 -0.07 -1.00 0.00 0.00 179.01 178.75 1mwb h LEU 73 N 0.83 0.80 -0.61 1.33 3.38 -1.22 0.20 115.31 120.02 1mwb h LEU 73 Ca 0.26 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1mwb h LEU 73 Cb 0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1mwb h LEU 73 CO -0.07 0.68 0.18 0.58 0.09 0.00 0.00 178.44 179.90 1mwb h VAL 74 N 0.89 1.25 0.11 1.22 2.07 -0.91 0.58 116.25 121.45 1mwb h VAL 74 Ca 0.22 -0.85 -0.30 0.00 0.82 0.00 0.00 66.70 66.59 1mwb h VAL 74 Cb 0.09 0.64 0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1mwb h VAL 74 CO -0.03 0.32 -1.23 -0.33 0.02 0.00 0.00 177.57 176.32 1mwb h GLU 75 N 0.88 0.61 0.07 1.57 5.08 -1.04 -2.04 114.58 119.72 1mwb h GLU 75 Ca 0.20 -0.81 -0.21 0.00 -1.00 0.00 0.00 59.36 57.54 1mwb h GLU 75 Cb 0.31 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1mwb h GLU 75 CO -0.00 1.37 -1.08 -0.91 -1.00 0.00 0.00 179.01 177.38 1mwb h ASN 76 N 0.28 0.24 0.19 1.42 2.35 -0.58 -3.39 115.58 116.10 1mwb h ASN 76 Ca -0.18 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.75 1mwb h ASN 76 Cb 1.90 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.19 1mwb h ASN 76 CO 0.23 1.46 -1.04 1.41 -1.65 0.00 0.00 177.43 177.85 1mwb n HIS 77 N -4.16 0.07 -2.72 1.19 8.25 0.19 -4.99 115.22 113.05 1mwb n HIS 77 Ca -0.23 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.20 1mwb n HIS 77 Cb 0.78 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 1.44 0.64 3.71 -1.41 0.00 -0.69 -4.97 105.19 103.91 1mwb n GLY 78 Ca 0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.32 4.36 0.43 0.99 2.96 -1.18 -4.96 118.68 118.96 1mwb s LEU 79 Ca 0.12 2.11 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 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 0.15 -0.56 0.15 0.54 -1.32 0.00 0.00 176.35 175.31 1mwb s ASN 80 N 1.20 2.92 0.47 3.68 4.22 -1.26 -4.56 114.94 121.61 1mwb s ASN 80 Ca 0.61 -1.75 0.17 0.00 -2.14 0.00 0.00 52.86 49.75 1mwb s ASN 80 Cb -0.32 0.63 1.16 0.00 1.28 0.00 0.00 41.25 44.00 1mwb s ASN 80 CO 0.29 -1.01 2.01 1.23 -2.04 0.00 0.00 177.10 177.58 1mwb h GLY 81 N 1.71 0.34 0.99 0.45 0.00 -1.98 -1.11 103.07 103.47 1mwb h GLY 81 Ca -0.34 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1mwb h GLY 81 CO 0.53 0.06 0.65 0.83 0.00 0.00 0.00 176.54 178.61 1mwb h GLU 82 N 0.24 1.25 -0.22 4.80 5.08 -1.99 -0.07 114.58 123.68 1mwb h GLU 82 Ca 0.23 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1mwb h GLU 82 Cb 0.58 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1mwb h GLU 82 CO -0.04 0.83 0.02 0.45 -1.00 0.00 0.00 179.01 179.26 1mwb h HIS 83 N 1.29 0.41 -0.61 4.33 3.86 -1.60 -2.02 115.15 120.80 1mwb h HIS 83 Ca 0.37 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.54 1mwb h HIS 83 Cb -0.09 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 1mwb h HIS 83 CO -0.00 0.53 0.38 0.35 0.86 0.00 0.00 177.93 180.05 1mwb h PHE 84 N 0.16 0.71 -0.79 2.45 3.57 -1.27 -1.77 116.94 120.00 1mwb h PHE 84 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1mwb h PHE 84 Cb 0.36 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1mwb h PHE 84 CO 0.03 0.41 0.50 -0.44 -2.23 0.00 0.00 178.31 176.58 1mwb h ASP 85 N 0.75 0.93 -0.43 0.41 3.32 -0.90 0.04 116.42 120.53 1mwb h ASP 85 Ca 0.24 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1mwb h ASP 85 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1mwb h ASP 85 CO -0.09 0.69 0.20 0.00 -1.72 0.00 0.00 179.24 178.32 1mwb h ALA 86 N 1.47 0.55 -0.33 3.45 0.00 -0.58 0.68 119.26 124.51 1mwb h ALA 86 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1mwb h ALA 86 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1mwb h ALA 86 CO -0.06 0.11 -0.00 0.28 0.00 0.00 0.00 179.25 179.58 1mwb h VAL 87 N 0.55 1.26 -0.58 0.00 2.07 -0.91 -2.72 116.25 115.93 1mwb h VAL 87 Ca 0.15 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1mwb h VAL 87 Cb 0.12 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1mwb h VAL 87 CO -0.02 0.32 0.13 0.00 0.02 0.00 0.00 177.57 178.02 1mwb h ALA 88 N 0.85 0.76 -0.93 1.67 0.00 -0.79 -2.59 119.26 118.23 1mwb h ALA 88 Ca 0.09 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1mwb h ALA 88 Cb 0.45 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1mwb h ALA 88 CO 0.02 0.47 0.60 1.49 0.00 0.00 0.00 179.25 181.83 1mwb h GLU 89 N 0.83 0.76 -0.90 0.00 4.57 0.51 0.80 114.58 121.15 1mwb h GLU 89 Ca 0.18 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1mwb h GLU 89 Cb 0.36 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 1mwb h GLU 89 CO 0.00 0.50 0.52 -0.44 -1.18 0.00 0.00 179.01 178.42 1mwb h ASP 90 N 0.78 1.11 -0.78 1.04 3.32 -1.15 -2.32 116.42 118.43 1mwb h ASP 90 Ca 0.47 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1mwb h ASP 90 Cb 0.67 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1mwb h ASP 90 CO -0.24 0.87 0.49 0.25 -1.72 0.00 0.00 179.24 178.89 1mwb h LEU 91 N 1.26 0.91 -1.00 1.55 5.85 -0.77 -2.27 115.31 120.83 1mwb h LEU 91 Ca 0.32 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1mwb h LEU 91 Cb -0.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1mwb h LEU 91 CO -0.06 0.68 0.16 -0.07 -0.34 0.00 0.00 178.44 178.82 1mwb h LEU 92 N 1.06 0.82 -1.00 2.25 -0.00 -1.05 -2.68 115.31 114.71 1mwb h LEU 92 Ca 0.28 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1mwb h LEU 92 Cb -0.08 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.32 1mwb h LEU 92 CO -0.06 0.79 0.53 0.00 -0.00 0.00 0.00 178.44 179.70 1mwb h ALA 93 N 1.32 1.24 -0.70 1.53 0.00 -0.90 -2.46 119.26 119.29 1mwb h ALA 93 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mwb h ALA 93 Cb 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1mwb h ALA 93 CO -0.01 0.64 0.34 1.15 0.00 0.00 0.00 179.25 181.37 1mwb h THR 94 N 1.24 1.23 -0.66 0.00 2.02 -1.18 -2.70 112.91 112.87 1mwb h THR 94 Ca 0.32 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 1mwb h THR 94 Cb -0.04 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1mwb h THR 94 CO -0.06 0.27 0.21 -0.07 0.37 0.00 0.00 175.52 176.24 1mwb h LEU 95 N 0.97 0.93 -0.88 2.58 3.38 -1.34 -2.65 115.31 118.30 1mwb h LEU 95 Ca 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1mwb h LEU 95 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1mwb h LEU 95 CO -0.03 0.87 0.51 0.11 0.09 0.00 0.00 178.44 179.99 1mwb h LYS 96 N 0.97 1.20 -0.73 1.13 1.57 -1.14 -2.02 116.57 117.54 1mwb h LYS 96 Ca 0.22 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1mwb h LYS 96 Cb 0.27 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1mwb h LYS 96 CO -0.01 0.86 0.25 1.49 -0.57 0.00 0.00 179.45 181.47 1mwb h GLU 97 N 1.21 1.13 -0.18 3.15 4.57 -1.22 -2.40 114.58 120.83 1mwb h GLU 97 Ca 0.31 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1mwb h GLU 97 Cb -0.02 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1mwb h GLU 97 CO -0.06 0.95 -0.07 0.52 -1.18 0.00 0.00 179.01 179.18 1mwb h MET 98 N 1.08 0.28 0.00 1.92 2.86 -1.11 -3.46 114.93 116.49 1mwb h MET 98 Ca 0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1mwb h MET 98 Cb 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1mwb h MET 98 CO -0.01 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1mwb n GLY 99 N -0.97 0.78 3.76 8.32 0.00 -0.81 -5.05 105.19 111.23 1mwb n GLY 99 Ca -0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 2.01 0.30 1.61 1.01 -1.16 -4.88 120.40 117.29 1mwb s VAL 100 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1mwb s VAL 100 Cb 0.00 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 1mwb s VAL 100 CO 0.00 0.00 0.84 -0.81 0.00 0.00 0.00 175.10 175.14 1mwb n PRO 101 N 1.42 0.98 0.26 2.72 -0.04 -1.26 -4.81 135.00 134.27 1mwb n PRO 101 Ca 0.05 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1mwb n PRO 101 Cb 0.38 -1.65 0.65 0.00 -0.04 0.00 0.00 33.50 32.84 1mwb n PRO 101 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1mwb h GLU 102 N 1.58 0.00 -0.78 0.54 9.09 -2.00 -2.23 114.58 120.79 1mwb h GLU 102 Ca -0.38 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.08 1mwb h GLU 102 Cb 1.37 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.41 1mwb h GLU 102 CO 0.58 0.00 0.47 -0.44 0.05 0.00 0.00 179.01 179.68 1mwb h ASP 103 N 0.00 0.74 -0.17 3.06 3.32 -2.01 -2.12 116.42 119.23 1mwb h ASP 103 Ca -0.00 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1mwb h ASP 103 Cb 0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1mwb h ASP 103 CO 0.00 0.48 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.46 1mwb h LEU 104 N 0.88 0.80 -0.92 1.55 3.38 -1.75 -3.02 115.31 116.22 1mwb h LEU 104 Ca 0.33 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 58.02 1mwb h LEU 104 Cb 0.14 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1mwb h LEU 104 CO -0.16 1.14 0.56 0.40 0.09 0.00 0.00 178.44 180.47 1mwb h ILE 105 N 0.58 0.90 -0.34 1.22 2.04 -1.25 0.58 117.51 121.25 1mwb h ILE 105 Ca 0.03 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1mwb h ILE 105 Cb 1.04 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1mwb h ILE 105 CO 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 178.15 178.41 1mwb h ALA 106 N 1.51 0.46 -0.44 1.87 0.00 -1.40 -2.25 119.26 119.01 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 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1mwb h ALA 106 CO -0.26 0.23 -0.23 0.93 0.00 0.00 0.00 179.25 179.92 1mwb h GLU 107 N 0.42 0.89 -0.88 0.00 5.08 -1.15 -2.78 114.58 116.16 1mwb h GLU 107 Ca 0.10 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1mwb h GLU 107 Cb 0.46 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1mwb h GLU 107 CO 0.02 1.03 0.48 0.28 -1.00 0.00 0.00 179.01 179.82 1mwb h VAL 108 N 0.77 1.26 -0.35 3.13 2.07 0.20 -2.21 116.25 121.11 1mwb h VAL 108 Ca 0.10 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1mwb h VAL 108 Cb 0.78 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1mwb h VAL 108 CO 0.06 0.29 -0.08 0.00 0.02 0.00 0.00 177.57 177.86 1mwb h ALA 109 N 1.26 1.20 0.00 1.67 0.00 -1.28 -2.47 119.26 119.64 1mwb h ALA 109 Ca 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 109 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mwb h ALA 109 CO -0.05 0.52 -0.17 0.00 0.00 0.00 0.00 179.25 179.54 1mwb h ALA 110 N 1.36 1.31 -0.80 0.00 0.00 -1.12 2.23 119.26 122.24 1mwb h ALA 110 Ca 0.10 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 110 Cb 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1mwb h ALA 110 CO 0.03 0.22 0.47 0.28 0.00 0.00 0.00 179.25 180.25 1mwb h VAL 111 N 0.00 1.00 0.00 0.00 2.07 -1.14 -3.27 116.25 114.91 1mwb h VAL 111 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1mwb h VAL 111 Cb 0.43 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1mwb h VAL 111 CO 0.02 0.16 -0.83 0.00 0.02 0.00 0.00 177.57 176.94 1mwb n ALA 112 N -2.36 2.00 0.24 1.67 0.00 -1.11 -4.57 120.51 116.38 1mwb n ALA 112 Ca 0.11 -0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 1mwb n ALA 112 Cb 0.19 -0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.52 1mwb n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1mwb h GLY 113 N 0.01 0.00 -5.64 0.00 0.00 0.36 -3.43 103.07 94.37 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 0.69 0.00 0.00 0.00 0.00 176.54 177.23 1mwb n ALA 114 N -2.24 -0.23 0.28 3.60 0.00 -1.23 -4.81 120.51 115.88 1mwb n ALA 114 Ca 0.01 0.45 0.18 0.00 0.00 0.00 0.00 53.44 54.08 1mwb n ALA 114 Cb 0.30 -2.20 0.96 0.00 0.00 0.00 0.00 19.45 18.52 1mwb n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mwb h PRO 115 N 5.93 0.00 -0.61 0.00 0.13 -1.96 -2.21 132.00 133.27 1mwb h PRO 115 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1mwb h PRO 115 Cb 1.31 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1mwb h PRO 115 CO 0.86 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 179.00 1mwb h ALA 116 N 1.79 0.79 -0.88 -0.56 0.00 -1.91 -2.03 119.26 116.46 1mwb h ALA 116 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mwb h ALA 116 Cb 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1mwb h ALA 116 CO -0.00 0.11 0.51 0.45 0.00 0.00 0.00 179.25 180.32 1mwb h HIS 117 N 0.74 1.17 -0.39 0.00 3.86 -1.67 -2.18 115.15 116.68 1mwb h HIS 117 Ca 0.24 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1mwb h HIS 117 Cb 0.02 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1mwb h HIS 117 CO -0.05 0.79 0.26 0.87 0.86 0.00 0.00 177.93 180.65 1mwb h LYS 118 N 1.22 0.47 -0.79 2.45 1.57 -1.46 -2.44 116.57 117.59 1mwb h LYS 118 Ca 0.31 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 1mwb h LYS 118 Cb -0.02 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.11 1mwb h LYS 118 CO -0.06 0.31 0.44 0.00 -0.57 0.00 0.00 179.45 179.58 1mwb h ARG 119 N 0.48 0.73 -0.67 3.15 3.08 -1.04 0.84 114.38 120.95 1mwb h ARG 119 Ca 0.15 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1mwb h ARG 119 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1mwb h ARG 119 CO -0.03 0.48 0.17 -0.44 -1.07 0.00 0.00 179.97 179.07 1mwb h ASP 120 N 0.75 0.99 0.07 7.04 3.32 -1.53 0.41 116.42 127.46 1mwb h ASP 120 Ca 0.38 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1mwb h ASP 120 Cb 0.35 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1mwb h ASP 120 CO -0.25 0.95 -0.03 0.58 -1.72 0.00 0.00 179.24 178.77 1mwb h VAL 121 N 1.00 0.00 -0.67 -1.35 2.07 -1.15 -3.39 116.25 112.76 1mwb h VAL 121 Ca 0.21 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1mwb h VAL 121 Cb 0.34 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1mwb h VAL 121 CO -0.00 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.67 1mwb h LEU 122 N -0.53 1.03 -1.32 2.57 3.38 0.54 -3.37 115.31 117.61 1mwb h LEU 122 Ca -0.01 -0.24 -0.44 0.00 0.09 0.00 0.00 57.88 57.28 1mwb h LEU 122 Cb 0.07 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.57 1mwb h LEU 122 CO 0.01 1.00 -0.78 0.59 0.09 0.00 0.00 178.44 179.36 1mwb n ASN 123 N -4.26 -3.33 0.00 -0.43 3.02 0.14 -4.88 115.26 105.52 1mwb n ASN 123 Ca 0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1mwb n ASN 123 Cb 0.26 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1mwb n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64