#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 n THR 2 N 0.00 0.00 -0.28 0.00 -2.24 -1.26 -5.08 114.28 105.42 3mw6 n THR 2 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3mw6 n THR 2 Cb 0.00 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.45 3mw6 n THR 2 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3mw6 h GLN 3 N 0.00 1.05 -0.05 -0.78 4.15 -2.05 -1.69 115.11 115.74 3mw6 h GLN 3 Ca 0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 3mw6 h GLN 3 Cb 0.00 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3mw6 h GLN 3 CO 0.00 0.69 -0.33 1.49 -1.93 0.00 0.00 178.83 178.75 3mw6 h GLU 4 N 1.08 0.09 0.00 1.69 4.81 -2.01 -2.40 114.58 117.83 3mw6 h GLU 4 Ca 0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3mw6 h GLU 4 Cb -0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3mw6 h GLU 4 CO -0.09 0.41 -0.70 0.25 -0.73 0.00 0.00 179.01 178.14 3mw6 n THR 5 N -4.12 0.05 0.09 0.32 -2.24 -0.97 -3.11 114.28 104.30 3mw6 n THR 5 Ca -0.02 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3mw6 n THR 5 Cb 0.39 0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 3mw6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mw6 h ALA 6 N 2.89 0.25 -0.18 6.98 0.00 -0.85 -2.69 119.26 125.66 3mw6 h ALA 6 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3mw6 h ALA 6 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mw6 h ALA 6 CO 0.00 0.94 0.00 1.28 0.00 0.00 0.00 179.25 181.47 3mw6 n LEU 7 N -3.60 1.39 -0.05 0.00 7.99 -0.96 -4.64 117.00 117.13 3mw6 n LEU 7 Ca -0.07 -0.62 -0.01 0.00 -0.01 0.00 0.00 56.01 55.30 3mw6 n LEU 7 Cb 0.93 -0.12 -0.01 0.00 -0.11 0.00 0.00 43.42 44.11 3mw6 n LEU 7 CO 0.52 0.31 0.14 0.61 -1.51 0.00 0.00 177.39 177.45 3mw6 n GLY 8 N 1.03 -0.80 0.11 -0.72 0.00 -1.02 0.68 105.19 104.47 3mw6 n GLY 8 Ca 0.14 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 3mw6 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw6 h ALA 9 N -0.09 0.24 -0.67 4.61 0.00 -1.82 -2.34 119.26 119.19 3mw6 h ALA 9 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.97 3mw6 h ALA 9 Cb 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 3mw6 h ALA 9 CO -0.12 -0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.09 3mw6 h ALA 10 N 0.93 0.82 -0.43 0.00 0.00 -0.08 -2.19 119.26 118.31 3mw6 h ALA 10 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mw6 h ALA 10 Cb 0.16 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3mw6 h ALA 10 CO -0.01 -0.32 0.00 1.47 0.00 0.00 0.00 179.25 180.39 3mw6 n LEU 11 N -5.15 4.32 0.01 0.00 -0.00 -0.35 -4.43 117.00 111.39 3mw6 n LEU 11 Ca 0.11 -2.71 -0.12 0.00 -0.00 0.00 0.00 56.01 53.29 3mw6 n LEU 11 Cb 0.39 -0.53 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 3mw6 n LEU 11 CO 0.15 0.71 0.76 0.50 -0.00 0.00 0.00 177.39 179.50 3mw6 h LYS 12 N 2.81 0.02 -0.40 1.47 3.64 -0.81 -2.72 116.57 120.58 3mw6 h LYS 12 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3mw6 h LYS 12 Cb 1.45 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 3mw6 h LYS 12 CO 0.25 0.25 0.23 0.66 -2.27 0.00 0.00 179.45 178.57 3mw6 h SER 13 N -0.21 0.37 -0.67 4.20 4.64 -1.78 -0.62 113.55 119.50 3mw6 h SER 13 Ca 0.00 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.47 3mw6 h SER 13 Cb 0.24 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 62.15 3mw6 h SER 13 CO 0.00 0.27 0.04 0.00 -0.87 0.00 0.00 176.83 176.27 3mw6 h ALA 14 N 1.18 0.72 -0.37 5.18 0.00 -1.82 -1.61 119.26 122.54 3mw6 h ALA 14 Ca 0.16 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 3mw6 h ALA 14 Cb 0.02 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mw6 h ALA 14 CO -0.08 -0.38 -0.24 0.28 0.00 0.00 0.00 179.25 178.83 3mw6 h VAL 15 N 0.15 1.27 0.00 0.00 2.07 -1.06 -2.42 116.25 116.26 3mw6 h VAL 15 Ca 0.36 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3mw6 h VAL 15 Cb 0.60 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3mw6 h VAL 15 CO -0.54 0.45 0.00 0.00 0.02 0.00 0.00 177.57 177.49 3mw6 n GLN 16 N -4.11 0.26 -0.45 1.57 6.02 -0.30 -4.85 117.38 115.52 3mw6 n GLN 16 Ca -0.00 0.05 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3mw6 n GLN 16 Cb 0.44 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.19 3mw6 n GLN 16 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3mw6 n THR 17 N -1.07 1.79 -3.17 5.09 -1.04 -0.92 -5.02 114.28 109.93 3mw6 n THR 17 Ca 0.07 -0.46 -0.28 0.00 -2.04 0.00 0.00 64.05 61.33 3mw6 n THR 17 Cb 0.04 -1.45 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 3mw6 n THR 17 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3mw6 s SER 19 N 2.00 6.42 0.35 8.00 1.04 -1.26 -5.15 113.70 125.09 3mw6 s SER 19 Ca 0.01 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.30 3mw6 s SER 19 Cb 0.01 -2.17 0.64 0.00 0.10 0.00 0.00 66.02 64.59 3mw6 s SER 19 CO 0.00 -0.29 1.83 0.11 0.98 0.00 0.00 173.24 175.86 3mw6 h LYS 20 N 1.31 0.27 -0.52 4.02 1.57 -1.97 -0.61 116.57 120.64 3mw6 h LYS 20 Ca -0.48 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.28 3mw6 h LYS 20 Cb 1.19 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 3mw6 h LYS 20 CO 0.65 0.49 0.22 -0.22 -0.57 0.00 0.00 179.45 180.02 3mw6 h LYS 21 N 0.24 0.42 -0.17 3.15 3.64 -2.04 0.23 116.57 122.05 3mw6 h LYS 21 Ca 0.04 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 3mw6 h LYS 21 Cb 0.54 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3mw6 h LYS 21 CO 0.04 0.28 -0.65 -0.22 -2.27 0.00 0.00 179.45 176.63 3mw6 h LYS 22 N 0.43 0.74 -0.36 1.90 3.11 -1.87 -2.22 116.57 118.30 3mw6 h LYS 22 Ca 0.24 -0.57 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3mw6 h LYS 22 Cb 0.21 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 3mw6 h LYS 22 CO -0.21 1.19 0.23 0.37 -2.81 0.00 0.00 179.45 178.21 3mw6 h GLN 23 N 0.45 0.49 -0.58 1.90 4.15 -0.95 -2.57 115.11 118.01 3mw6 h GLN 23 Ca -0.03 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.41 3mw6 h GLN 23 Cb 1.28 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 3mw6 h GLN 23 CO 0.14 0.36 0.28 1.15 -1.93 0.00 0.00 178.83 178.83 3mw6 h THR 24 N 0.48 0.91 0.00 2.39 2.02 -0.46 -0.80 112.91 117.45 3mw6 h THR 24 Ca 0.13 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3mw6 h THR 24 Cb -0.01 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3mw6 h THR 24 CO -0.03 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 175.34 3mw6 n GLU 25 N -4.88 0.22 0.00 6.66 1.02 -0.84 -1.29 120.64 121.52 3mw6 n GLU 25 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3mw6 n GLU 25 Cb 0.18 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3mw6 n GLU 25 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3mw6 n ILE 27 N 0.89 0.00 0.04 -3.67 5.41 -0.31 -1.38 119.36 120.34 3mw6 n ILE 27 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3mw6 n ILE 27 Cb 0.11 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.99 3mw6 n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mw6 h ALA 28 N 0.00 -0.11 -0.97 -1.39 0.00 -1.45 -0.84 119.26 114.50 3mw6 h ALA 28 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3mw6 h ALA 28 Cb 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3mw6 h ALA 28 CO 0.00 -0.60 0.61 -0.44 0.00 0.00 0.00 179.25 178.81 3mw6 h ASP 29 N -0.19 0.92 -0.12 0.00 3.32 -1.48 -0.12 116.42 118.76 3mw6 h ASP 29 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3mw6 h ASP 29 Cb 0.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3mw6 h ASP 29 CO -0.15 0.54 0.01 -0.74 -1.72 0.00 0.00 179.24 177.18 3mw6 h HIS 30 N 1.03 0.22 -0.04 4.55 2.76 -1.74 -1.71 115.15 120.21 3mw6 h HIS 30 Ca 0.45 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.59 3mw6 h HIS 30 Cb 0.34 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3mw6 h HIS 30 CO -0.01 0.42 0.02 0.82 -1.30 0.00 0.00 177.93 177.88 3mw6 h ILE 31 N -0.05 1.11 0.00 6.26 2.04 -0.64 0.75 117.51 126.98 3mw6 h ILE 31 Ca 0.03 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3mw6 h ILE 31 Cb 0.33 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3mw6 h ILE 31 CO 0.00 0.09 -0.14 1.88 0.00 0.00 0.00 178.15 179.99 3mw6 h TYR 32 N -0.06 0.00 0.00 1.37 -1.99 -1.12 -1.02 116.97 114.15 3mw6 h TYR 32 Ca 0.02 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.47 3mw6 h TYR 32 Cb 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 3mw6 h TYR 32 CO -0.03 0.14 -1.56 0.78 -0.00 0.00 0.00 178.16 177.48 3mw6 h GLY 33 N 2.47 0.00 0.00 3.88 0.00 -1.00 -3.40 103.07 105.01 3mw6 h GLY 33 Ca -0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3mw6 h GLY 33 CO 0.02 0.00 -2.24 1.17 0.00 0.00 0.00 176.54 175.49 3mw6 n LYS 34 N -3.11 0.76 -3.73 4.80 3.00 0.23 -4.92 118.16 115.20 3mw6 n LYS 34 Ca -0.13 -0.06 -0.38 0.00 -0.00 0.00 0.00 58.31 57.74 3mw6 n LYS 34 Cb 1.03 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 34.44 3mw6 n LYS 34 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3mw6 s TYR 35 N -2.74 3.35 0.28 5.64 1.51 -0.39 -4.96 117.35 120.04 3mw6 s TYR 35 Ca -0.09 -1.73 0.01 0.00 -1.01 0.00 0.00 57.07 54.25 3mw6 s TYR 35 Cb 0.08 -2.68 0.69 0.00 -0.11 0.00 0.00 41.96 39.94 3mw6 s TYR 35 CO 0.82 -0.83 1.66 -0.44 -1.11 0.00 0.00 175.55 175.65 3mw6 h ASP 36 N 8.21 0.04 0.16 2.29 3.45 -1.87 0.10 116.42 128.80 3mw6 h ASP 36 Ca -0.21 0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 3mw6 h ASP 36 Cb 1.07 0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3mw6 h ASP 36 CO 0.66 -0.13 -0.07 -0.37 -1.57 0.00 0.00 179.24 177.77 3mw6 h VAL 37 N 0.24 0.66 0.04 -1.35 -1.51 -1.89 -0.37 116.25 112.06 3mw6 h VAL 37 Ca 0.54 -0.28 -0.19 0.00 -1.23 0.00 0.00 66.70 65.54 3mw6 h VAL 37 Cb 1.06 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3mw6 h VAL 37 CO -0.63 0.07 -0.98 -0.26 -1.23 0.00 0.00 177.57 174.55 3mw6 h PHE 38 N 0.00 0.16 -0.84 5.19 -1.00 -1.31 -1.87 116.94 117.27 3mw6 h PHE 38 Ca -0.00 -0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.80 3mw6 h PHE 38 Cb 0.17 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 3mw6 h PHE 38 CO 0.00 1.38 0.55 -0.22 -1.61 0.00 0.00 178.31 178.41 3mw6 h LYS 39 N -0.75 0.58 -0.45 1.51 3.64 -0.98 -1.79 116.57 118.33 3mw6 h LYS 39 Ca -0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3mw6 h LYS 39 Cb 1.39 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3mw6 h LYS 39 CO -0.06 0.39 0.00 0.54 -2.27 0.00 0.00 179.45 178.05 3mw6 n ARG 40 N -4.53 2.52 -3.82 1.90 1.74 -0.18 -4.99 116.66 109.30 3mw6 n ARG 40 Ca 0.16 -2.34 -0.34 0.00 -0.77 0.00 0.00 57.85 54.56 3mw6 n ARG 40 Cb 0.48 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3mw6 n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mw6 n PHE 41 N 1.47 -1.75 -3.29 -1.55 3.01 -0.67 -4.99 117.46 109.69 3mw6 n PHE 41 Ca 0.20 0.41 -0.32 0.00 1.01 0.00 0.00 57.45 58.75 3mw6 n PHE 41 Cb 0.60 -3.33 -0.06 0.00 -0.01 0.00 0.00 39.48 36.67 3mw6 n PHE 41 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3mw6 s LYS 42 N -6.40 3.91 0.25 -1.08 1.02 -0.71 -4.76 119.74 111.96 3mw6 s LYS 42 Ca 0.40 0.47 -0.31 0.00 0.02 0.00 0.00 55.97 56.55 3mw6 s LYS 42 Cb -0.16 -2.59 -0.13 0.00 -0.52 0.00 0.00 37.83 34.43 3mw6 s LYS 42 CO 0.89 0.27 1.54 -2.30 -0.92 0.00 0.00 175.35 174.83 3mw6 n PRO 43 N -0.14 2.41 -3.61 -1.68 -0.02 -1.26 -4.87 135.00 125.83 3mw6 n PRO 43 Ca 0.01 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 3mw6 n PRO 43 Cb 0.53 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 3mw6 n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mw6 s LEU 44 N 0.11 4.39 0.25 2.45 1.43 -1.26 -0.70 118.68 125.35 3mw6 s LEU 44 Ca 0.69 0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 54.28 3mw6 s LEU 44 Cb -0.57 -2.74 -0.15 0.00 0.03 0.00 0.00 46.19 42.76 3mw6 s LEU 44 CO 0.46 0.25 0.97 0.00 0.23 0.00 0.00 176.35 178.26 3mw6 n ALA 45 N 1.31 -0.73 -1.74 4.21 0.00 0.24 -4.60 120.51 119.20 3mw6 n ALA 45 Ca -0.11 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 3mw6 n ALA 45 Cb 0.53 -1.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 3mw6 n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mw6 n LEU 46 N 1.49 4.25 -0.38 0.00 4.77 -1.26 -2.07 117.00 123.81 3mw6 n LEU 46 Ca 0.12 1.21 -0.04 0.00 -0.03 0.00 0.00 56.01 57.27 3mw6 n LEU 46 Cb 0.29 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 39.82 3mw6 n LEU 46 CO 0.60 -0.18 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 3mw6 n GLY 47 N 0.61 0.39 0.24 -0.72 0.00 -1.26 -4.92 105.19 99.53 3mw6 n GLY 47 Ca 0.03 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3mw6 n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mw6 h ILE 48 N 0.00 0.62 -0.42 -0.61 6.09 -1.76 -2.85 117.51 118.58 3mw6 h ILE 48 Ca -0.08 -0.84 0.03 0.00 -1.37 0.00 0.00 64.86 62.60 3mw6 h ILE 48 Cb 0.75 1.54 -0.04 0.00 0.47 0.00 0.00 36.82 39.54 3mw6 h ILE 48 CO 0.11 0.18 0.21 -2.24 -3.07 0.00 0.00 178.15 173.34 3mw6 h ASP 49 N 0.00 0.31 -0.14 2.19 -0.00 -1.91 -0.68 116.42 116.19 3mw6 h ASP 49 Ca -0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 57.03 56.98 3mw6 h ASP 49 Cb 0.53 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.80 3mw6 h ASP 49 CO 0.02 0.22 -0.10 1.56 -0.00 0.00 0.00 179.24 180.94 3mw6 h GLN 50 N 0.43 0.47 -0.48 4.15 1.08 -1.92 -1.88 115.11 116.97 3mw6 h GLN 50 Ca 0.18 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 3mw6 h GLN 50 Cb 0.09 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3mw6 h GLN 50 CO -0.13 0.58 0.01 -0.44 -0.95 0.00 0.00 178.83 177.90 3mw6 h ASP 51 N 0.44 0.82 -0.24 1.46 5.19 -1.34 -2.32 116.42 120.44 3mw6 h ASP 51 Ca 0.09 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3mw6 h ASP 51 Cb 0.45 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3mw6 h ASP 51 CO 0.02 0.93 0.10 -0.07 -3.12 0.00 0.00 179.24 177.10 3mw6 h LEU 52 N 0.70 0.32 -0.40 1.55 -0.00 -0.92 -0.86 115.31 115.70 3mw6 h LEU 52 Ca 0.14 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 3mw6 h LEU 52 Cb 0.50 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 3mw6 h LEU 52 CO 0.02 0.39 0.22 0.40 -0.00 0.00 0.00 178.44 179.47 3mw6 h ILE 53 N 0.24 1.15 -0.30 1.22 2.04 -1.28 0.12 117.51 120.70 3mw6 h ILE 53 Ca 0.08 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3mw6 h ILE 53 Cb 0.16 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3mw6 h ILE 53 CO -0.01 0.16 0.14 0.00 0.00 0.00 0.00 178.15 178.44 3mw6 h ALA 54 N 1.07 0.36 0.00 1.87 0.00 -1.37 -2.90 119.26 118.29 3mw6 h ALA 54 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3mw6 h ALA 54 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mw6 h ALA 54 CO -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 178.89 3mw6 h ALA 55 N 1.16 1.58 -2.22 0.00 0.00 -0.23 -3.32 119.26 116.23 3mw6 h ALA 55 Ca 0.13 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 3mw6 h ALA 55 Cb 0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.41 3mw6 h ALA 55 CO -0.09 0.12 -0.63 1.28 0.00 0.00 0.00 179.25 179.93 3mw6 n LEU 56 N -4.05 3.92 0.25 0.00 4.77 0.32 -4.89 117.00 117.33 3mw6 n LEU 56 Ca -0.02 -5.51 0.17 0.00 -0.03 0.00 0.00 56.01 50.61 3mw6 n LEU 56 Cb 0.18 -0.59 0.84 0.00 -2.33 0.00 0.00 43.42 41.52 3mw6 n LEU 56 CO 0.32 2.17 1.01 1.55 -1.33 0.00 0.00 177.39 181.11 3mw6 h PRO 57 N 3.73 0.00 -0.00 3.23 0.13 -1.67 -2.52 132.00 134.90 3mw6 h PRO 57 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3mw6 h PRO 57 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3mw6 h PRO 57 CO 0.82 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.56 3mw6 n GLN 58 N -2.75 0.70 -4.34 0.86 0.00 -1.26 -4.55 117.38 106.04 3mw6 n GLN 58 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 57.00 56.63 3mw6 n GLN 58 Cb 0.13 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.75 3mw6 n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3mw6 s TYR 59 N -2.37 1.99 0.18 2.61 2.02 -0.95 -4.52 117.35 116.30 3mw6 s TYR 59 Ca 0.34 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.32 3mw6 s TYR 59 Cb 0.21 -1.05 -0.10 0.00 -0.40 0.00 0.00 41.96 40.61 3mw6 s TYR 59 CO 0.44 0.30 1.56 0.34 -1.57 0.00 0.00 175.55 176.61 3mw6 s ASP 60 N -2.17 6.59 0.16 2.29 2.15 -1.26 -4.93 116.67 119.50 3mw6 s ASP 60 Ca 0.12 2.63 -0.13 0.00 0.43 0.00 0.00 52.55 55.59 3mw6 s ASP 60 Cb -0.09 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.98 3mw6 s ASP 60 CO 0.06 -0.81 1.73 0.00 -0.17 0.00 0.00 175.17 175.97 3mw6 h ALA 61 N 6.59 0.68 -0.76 3.66 0.00 -1.96 -1.30 119.26 126.17 3mw6 h ALA 61 Ca -0.43 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3mw6 h ALA 61 Cb 1.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3mw6 h ALA 61 CO 0.90 0.27 0.50 0.00 0.00 0.00 0.00 179.25 180.92 3mw6 h ALA 62 N 1.07 1.46 0.00 0.00 0.00 -1.99 -0.19 119.26 119.61 3mw6 h ALA 62 Ca 0.18 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3mw6 h ALA 62 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mw6 h ALA 62 CO -0.02 0.50 -0.60 -0.07 0.00 0.00 0.00 179.25 179.07 3mw6 h LEU 63 N 1.03 0.00 -0.59 0.00 3.38 -1.83 -1.44 115.31 115.87 3mw6 h LEU 63 Ca 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3mw6 h LEU 63 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3mw6 h LEU 63 CO -0.06 0.60 -0.30 0.40 0.09 0.00 0.00 178.44 179.17 3mw6 h ILE 64 N 0.00 1.28 -0.26 1.22 2.04 -0.19 -2.32 117.51 119.28 3mw6 h ILE 64 Ca -0.01 -1.45 -0.17 0.00 1.00 0.00 0.00 64.86 64.24 3mw6 h ILE 64 Cb 1.22 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3mw6 h ILE 64 CO 0.08 0.48 -0.52 0.00 0.00 0.00 0.00 178.15 178.19 3mw6 h ALA 65 N 0.98 0.59 -0.02 1.87 0.00 -0.86 -1.47 119.26 120.35 3mw6 h ALA 65 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3mw6 h ALA 65 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3mw6 h ALA 65 CO 0.07 0.68 -0.04 -0.09 0.00 0.00 0.00 179.25 179.88 3mw6 h ARG 66 N 0.58 -0.05 -0.51 0.00 2.43 -1.22 -0.87 114.38 114.73 3mw6 h ARG 66 Ca 0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3mw6 h ARG 66 Cb 1.10 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 3mw6 h ARG 66 CO 0.11 -0.04 0.29 0.28 -1.51 0.00 0.00 179.97 179.10 3mw6 h VAL 67 N -0.06 1.01 -0.36 0.20 2.07 -1.31 -0.54 116.25 117.26 3mw6 h VAL 67 Ca 0.02 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3mw6 h VAL 67 Cb 0.09 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3mw6 h VAL 67 CO -0.05 0.10 0.09 0.25 0.02 0.00 0.00 177.57 177.98 3mw6 h LEU 68 N 0.56 0.06 -1.14 2.57 5.85 -1.16 -1.56 115.31 120.49 3mw6 h LEU 68 Ca 0.22 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3mw6 h LEU 68 Cb 0.08 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3mw6 h LEU 68 CO -0.12 0.07 0.25 0.00 -0.34 0.00 0.00 178.44 178.30 3mw6 h ALA 69 N 1.26 1.32 -0.27 1.25 0.00 -0.56 -1.56 119.26 120.70 3mw6 h ALA 69 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mw6 h ALA 69 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3mw6 h ALA 69 CO -0.20 0.51 -0.25 -0.91 0.00 0.00 0.00 179.25 178.39 3mw6 h ASN 70 N 0.85 0.53 -0.25 0.00 2.35 -0.65 -3.04 115.58 115.36 3mw6 h ASN 70 Ca 0.21 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3mw6 h ASN 70 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3mw6 h ASN 70 CO -0.02 0.77 0.07 -0.74 -1.65 0.00 0.00 177.43 175.86 3mw6 h HIS 71 N 0.46 0.40 0.00 1.19 2.76 -0.60 -3.10 115.15 116.27 3mw6 h HIS 71 Ca 0.07 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3mw6 h HIS 71 Cb 0.69 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.53 3mw6 h HIS 71 CO 0.02 0.46 0.00 0.00 -1.30 0.00 0.00 177.93 177.11 3mw6 n ARG 73 N -1.25 2.89 -2.60 0.00 1.85 -1.16 -4.61 116.66 111.78 3mw6 n ARG 73 Ca 0.13 -2.22 -0.39 0.00 -1.00 0.00 0.00 57.85 54.37 3mw6 n ARG 73 Cb 0.19 -1.37 -0.05 0.00 -1.05 0.00 0.00 32.46 30.18 3mw6 n ARG 73 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3mw6 s ARG 74 N -1.15 4.61 0.28 2.89 0.52 -0.92 -4.90 118.95 120.28 3mw6 s ARG 74 Ca 0.29 1.61 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 3mw6 s ARG 74 Cb 0.16 -3.05 0.68 0.00 0.52 0.00 0.00 34.95 33.26 3mw6 s ARG 74 CO 0.18 0.24 1.65 -1.35 0.02 0.00 0.00 175.30 176.04 3mw6 h PRO 75 N 3.59 0.19 -0.69 3.54 0.11 -1.94 0.36 132.00 137.17 3mw6 h PRO 75 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3mw6 h PRO 75 Cb 1.21 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3mw6 h PRO 75 CO 0.66 0.13 0.45 -0.09 -0.21 0.00 0.00 178.00 178.94 3mw6 h ARG 76 N 0.20 0.80 -0.13 1.05 2.43 -1.93 0.80 114.38 117.60 3mw6 h ARG 76 Ca 0.54 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.48 3mw6 h ARG 76 Cb 1.07 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3mw6 h ARG 76 CO -0.66 0.53 -0.61 -0.92 -1.51 0.00 0.00 179.97 176.80 3mw6 h TYR 77 N 0.82 0.86 -0.79 2.20 3.20 -0.56 -1.61 116.97 121.09 3mw6 h TYR 77 Ca 0.28 -0.38 0.03 0.00 3.14 0.00 0.00 58.73 61.80 3mw6 h TYR 77 Cb 0.07 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3mw6 h TYR 77 CO -0.00 1.18 0.51 -0.07 -1.64 0.00 0.00 178.16 178.13 3mw6 h LEU 78 N 0.30 0.83 -0.96 2.82 -0.00 -0.71 0.89 115.31 118.48 3mw6 h LEU 78 Ca -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 3mw6 h LEU 78 Cb 1.25 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.68 3mw6 h LEU 78 CO 0.13 0.57 0.52 0.11 -0.00 0.00 0.00 178.44 179.77 3mw6 h LYS 79 N 0.98 1.25 -0.53 1.13 1.57 -0.81 -0.07 116.57 120.10 3mw6 h LYS 79 Ca 0.32 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3mw6 h LYS 79 Cb 0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3mw6 h LYS 79 CO -0.12 0.89 0.10 0.00 -0.57 0.00 0.00 179.45 179.75 3mw6 h ALA 80 N 1.32 0.70 -0.62 3.86 0.00 -0.26 0.32 119.26 124.57 3mw6 h ALA 80 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mw6 h ALA 80 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3mw6 h ALA 80 CO -0.06 0.42 0.38 -0.07 0.00 0.00 0.00 179.25 179.92 3mw6 h LEU 81 N 0.75 0.75 -1.57 0.00 3.38 -0.53 -2.02 115.31 116.08 3mw6 h LEU 81 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3mw6 h LEU 81 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mw6 h LEU 81 CO 0.01 0.59 0.26 0.00 0.09 0.00 0.00 178.44 179.39 3mw6 h ALA 82 N 1.19 1.68 -0.21 1.53 0.00 -0.51 -1.55 119.26 121.39 3mw6 h ALA 82 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3mw6 h ALA 82 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mw6 h ALA 82 CO -0.04 0.29 -0.33 -0.09 0.00 0.00 0.00 179.25 179.07 3mw6 h ARG 83 N 0.56 0.44 0.00 0.00 2.43 -0.39 -3.46 114.38 113.96 3mw6 h ARG 83 Ca 0.15 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3mw6 h ARG 83 Cb -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3mw6 h ARG 83 CO -0.03 0.73 0.00 0.41 -1.51 0.00 0.00 179.97 179.57 3mw6 n GLY 84 N -0.23 -1.37 4.28 2.80 0.00 -0.58 -5.06 105.19 105.02 3mw6 n GLY 84 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3mw6 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mw6 n GLY 85 N 0.00 -1.42 3.77 -0.02 0.00 -1.26 -4.87 105.19 101.39 3mw6 n GLY 85 Ca 0.00 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 3mw6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mw6 s LYS 86 N 0.00 3.34 0.31 1.61 -0.14 -1.26 -0.56 119.74 123.04 3mw6 s LYS 86 Ca 0.00 1.59 -0.01 0.00 -1.36 0.00 0.00 55.97 56.19 3mw6 s LYS 86 Cb 0.00 -2.00 -0.04 0.00 -1.68 0.00 0.00 37.83 34.11 3mw6 s LYS 86 CO 0.00 -0.86 0.52 1.03 -0.76 0.00 0.00 175.35 175.29 3mw6 s ARG 87 N -3.33 3.51 0.03 1.68 0.52 -0.35 -4.53 118.95 116.48 3mw6 s ARG 87 Ca 0.72 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 3mw6 s ARG 87 Cb -0.23 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 3mw6 s ARG 87 CO 0.28 0.20 -0.17 -0.06 0.02 0.00 0.00 175.30 175.57 3mw6 s PHE 88 N -2.21 1.46 0.55 -0.53 0.08 0.12 -0.36 117.98 117.10 3mw6 s PHE 88 Ca 0.40 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 3mw6 s PHE 88 Cb -0.10 -0.89 0.11 0.00 -0.57 0.00 0.00 43.02 41.58 3mw6 s PHE 88 CO 0.34 0.04 0.76 -0.40 -0.10 0.00 0.00 175.22 175.86 3mw6 n ASP 89 N 2.08 0.89 0.28 1.36 5.68 -0.24 -0.59 116.55 126.01 3mw6 n ASP 89 Ca -0.17 -1.78 0.15 0.00 -0.50 0.00 0.00 54.79 52.49 3mw6 n ASP 89 Cb 0.54 -0.50 0.85 0.00 -1.14 0.00 0.00 41.12 40.87 3mw6 n ASP 89 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3mw6 h LEU 90 N 0.00 0.00 -1.20 -2.12 3.38 -1.97 -0.53 115.31 112.86 3mw6 h LEU 90 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3mw6 h LEU 90 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3mw6 h LEU 90 CO 0.26 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.43 3mw6 n ASN 91 N -3.69 1.73 -2.14 -0.43 5.03 -1.26 -4.82 115.26 109.68 3mw6 n ASN 91 Ca -0.02 -2.07 -0.16 0.00 0.87 0.00 0.00 54.58 53.19 3mw6 n ASN 91 Cb 0.15 -0.26 0.02 0.00 -1.02 0.00 0.00 39.78 38.67 3mw6 n ASN 91 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3mw6 n ASN 92 N 0.29 -4.87 -4.62 6.41 2.85 -0.21 -5.02 115.26 110.09 3mw6 n ASN 92 Ca 0.09 -0.16 -0.28 0.00 -0.11 0.00 0.00 54.58 54.12 3mw6 n ASN 92 Cb 0.31 -3.81 -0.09 0.00 1.24 0.00 0.00 39.78 37.43 3mw6 n ASN 92 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3mw6 s ARG 93 N -5.22 2.28 0.21 1.20 0.52 -1.26 -4.90 118.95 111.79 3mw6 s ARG 93 Ca 0.16 -1.05 -0.32 0.00 -0.52 0.00 0.00 55.73 54.00 3mw6 s ARG 93 Cb -0.07 -2.34 -0.13 0.00 0.52 0.00 0.00 34.95 32.93 3mw6 s ARG 93 CO 0.20 0.49 1.66 1.19 0.02 0.00 0.00 175.30 178.85 3mw6 n PHE 94 N 0.32 2.61 -3.37 -0.53 3.72 -1.26 -1.08 117.46 117.87 3mw6 n PHE 94 Ca -0.11 0.14 -0.16 0.00 -0.05 0.00 0.00 57.45 57.26 3mw6 n PHE 94 Cb 0.54 -2.62 -0.08 0.00 -0.94 0.00 0.00 39.48 36.37 3mw6 n PHE 94 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3mw6 s LYS 95 N 0.84 0.45 1.48 -1.08 2.20 0.52 -4.80 119.74 119.36 3mw6 s LYS 95 Ca 0.75 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3mw6 s LYS 95 Cb -0.56 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 3mw6 s LYS 95 CO 0.36 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 3mw6 n GLY 96 N 4.91 -1.63 3.54 5.54 0.00 -1.26 -4.39 105.19 111.89 3mw6 n GLY 96 Ca 0.03 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3mw6 n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mw6 s GLU 97 N 0.00 1.45 -0.23 1.61 1.03 -1.26 -1.21 118.70 120.08 3mw6 s GLU 97 Ca 0.00 -1.13 -0.29 0.00 0.03 0.00 0.00 54.97 53.58 3mw6 s GLU 97 Cb 0.00 0.47 -0.00 0.00 -0.80 0.00 0.00 34.13 33.80 3mw6 s GLU 97 CO 0.00 -0.60 1.24 0.08 -1.33 0.00 0.00 175.26 174.65 3mw6 s VAL 98 N -3.97 4.29 0.78 1.83 1.01 0.28 -4.68 120.40 119.94 3mw6 s VAL 98 Ca 0.18 1.52 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 3mw6 s VAL 98 Cb -0.00 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.31 3mw6 s VAL 98 CO 0.04 -0.29 1.08 0.42 0.00 0.00 0.00 175.10 176.36 3mw6 s THR 99 N 3.80 3.38 0.33 3.92 -4.23 -1.26 -4.49 115.64 117.08 3mw6 s THR 99 Ca 0.53 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.53 3mw6 s THR 99 Cb -0.18 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 70.90 3mw6 s THR 99 CO 0.17 -0.58 1.92 -0.65 -0.54 0.00 0.00 174.62 174.93 3mw6 h PRO 100 N -1.08 0.87 -0.19 3.99 0.11 -1.99 -0.17 132.00 133.54 3mw6 h PRO 100 Ca -0.45 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3mw6 h PRO 100 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mw6 h PRO 100 CO 0.55 0.57 -0.50 1.49 -0.21 0.00 0.00 178.00 179.90 3mw6 h GLU 101 N 0.89 0.68 -0.65 1.05 4.57 -1.99 -0.84 114.58 118.29 3mw6 h GLU 101 Ca 0.38 -0.47 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3mw6 h GLU 101 Cb 0.30 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 3mw6 h GLU 101 CO -0.15 1.09 0.38 0.93 -1.18 0.00 0.00 179.01 180.09 3mw6 h GLU 102 N 0.37 0.70 -0.56 1.92 5.08 -1.83 -1.86 114.58 118.40 3mw6 h GLU 102 Ca -0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3mw6 h GLU 102 Cb 1.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3mw6 h GLU 102 CO 0.11 0.46 0.10 0.37 -1.00 0.00 0.00 179.01 179.05 3mw6 h GLN 103 N 0.72 0.93 -0.94 2.33 4.15 -0.94 -2.14 115.11 119.22 3mw6 h GLN 103 Ca 0.27 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3mw6 h GLN 103 Cb 0.10 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3mw6 h GLN 103 CO -0.14 0.89 0.56 0.00 -1.93 0.00 0.00 178.83 178.21 3mw6 h ALA 104 N 1.00 1.21 -0.41 3.38 0.00 -0.87 -0.73 119.26 122.84 3mw6 h ALA 104 Ca 0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3mw6 h ALA 104 Cb 0.41 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mw6 h ALA 104 CO 0.01 0.67 -0.25 0.82 0.00 0.00 0.00 179.25 180.50 3mw6 h ILE 105 N 1.30 1.27 -0.35 0.00 2.04 -1.17 -2.56 117.51 118.05 3mw6 h ILE 105 Ca 0.34 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 3mw6 h ILE 105 Cb -0.04 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3mw6 h ILE 105 CO -0.06 0.47 -0.19 0.00 0.00 0.00 0.00 178.15 178.37 3mw6 h ALA 106 N 0.98 1.01 0.00 1.87 0.00 -1.01 -2.32 119.26 119.79 3mw6 h ALA 106 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mw6 h ALA 106 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3mw6 h ALA 106 CO 0.07 0.59 0.00 1.96 0.00 0.00 0.00 179.25 181.86 3mw6 h GLN 107 N 0.58 0.00 -0.01 0.00 4.20 -0.75 -1.73 115.11 117.41 3mw6 h GLN 107 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3mw6 h GLN 107 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3mw6 h GLN 107 CO 0.05 0.00 -0.07 0.09 -0.67 0.00 0.00 178.83 178.22 3mw6 n ASN 108 N -2.93 0.71 -4.76 1.46 3.02 -0.88 -4.16 115.26 107.72 3mw6 n ASN 108 Ca 0.00 -0.93 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 3mw6 n ASN 108 Cb 0.25 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3mw6 n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mw6 s HIS 109 N -2.26 3.50 0.41 3.10 2.46 -0.65 -4.90 115.29 116.94 3mw6 s HIS 109 Ca 0.34 1.66 0.12 0.00 0.47 0.00 0.00 55.06 57.66 3mw6 s HIS 109 Cb 0.21 -3.34 0.85 0.00 -0.13 0.00 0.00 32.58 30.16 3mw6 s HIS 109 CO 0.42 -0.75 1.92 -1.35 -2.47 0.00 0.00 174.74 172.51 3mw6 h PRO 110 N 3.73 0.07 -0.91 2.88 0.11 -1.88 -1.89 132.00 134.12 3mw6 h PRO 110 Ca -0.47 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.74 3mw6 h PRO 110 Cb 1.21 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3mw6 h PRO 110 CO 0.67 0.30 0.53 0.74 -0.21 0.00 0.00 178.00 180.03 3mw6 h PHE 111 N 0.07 0.96 0.12 0.65 0.05 -1.94 -3.00 116.94 113.85 3mw6 h PHE 111 Ca 0.01 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.64 3mw6 h PHE 111 Cb 0.44 -0.29 0.01 0.00 2.00 0.00 0.00 35.95 38.11 3mw6 h PHE 111 CO 0.00 0.35 -0.90 0.28 -0.18 0.00 0.00 178.31 177.87 3mw6 h VAL 112 N 0.84 1.41 -0.88 -0.55 2.07 -1.74 -3.34 116.25 114.07 3mw6 h VAL 112 Ca 0.46 -2.48 0.13 0.00 0.82 0.00 0.00 66.70 65.63 3mw6 h VAL 112 Cb 0.50 3.08 -0.14 0.00 -1.52 0.00 0.00 31.29 33.21 3mw6 h VAL 112 CO -0.28 0.69 -0.39 1.56 0.02 0.00 0.00 177.57 179.17 3mw6 h GLN 113 N -0.43 -0.05 0.07 1.57 4.20 -1.21 -1.00 115.11 118.26 3mw6 h GLN 113 Ca -0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3mw6 h GLN 113 Cb 1.61 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.40 3mw6 h GLN 113 CO 0.11 -0.03 -0.03 -0.56 -0.67 0.00 0.00 178.83 177.64 3mw6 h GLN 114 N -0.05 -0.08 -0.17 1.46 3.07 -1.76 -3.25 115.11 114.32 3mw6 h GLN 114 Ca 0.30 0.01 -0.02 0.00 0.09 0.00 0.00 58.65 59.03 3mw6 h GLN 114 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 3mw6 h GLN 114 CO -0.90 0.46 0.04 0.00 0.09 0.00 0.00 178.83 178.52 3mw6 h ALA 115 N 0.13 0.22 0.00 0.06 0.00 -1.49 -3.38 119.26 114.81 3mw6 h ALA 115 Ca -0.01 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 3mw6 h ALA 115 Cb 0.58 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3mw6 h ALA 115 CO 0.01 -0.14 -2.25 1.28 0.00 0.00 0.00 179.25 178.16 3mw6 n LEU 116 N -4.80 2.29 0.00 0.00 4.77 -0.45 -5.11 117.00 113.70 3mw6 n LEU 116 Ca -0.05 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3mw6 n LEU 116 Cb 0.17 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3mw6 n LEU 116 CO 0.35 0.77 0.21 0.00 -1.33 0.00 0.00 177.39 177.40