#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 n ALA 6 N 0.00 2.39 0.03 1.79 0.00 -1.26 -4.20 120.51 119.25 3mw6 n ALA 6 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 53.44 52.70 3mw6 n ALA 6 Cb 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 3mw6 n ALA 6 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3mw6 n LEU 7 N 0.85 0.38 0.09 0.00 -0.00 -1.26 -2.12 117.00 114.93 3mw6 n LEU 7 Ca 0.11 0.15 -0.12 0.00 -0.00 0.00 0.00 56.01 56.15 3mw6 n LEU 7 Cb 0.41 0.03 -0.13 0.00 -0.00 0.00 0.00 43.42 43.73 3mw6 n LEU 7 CO 0.10 -0.01 0.02 1.23 -0.00 0.00 0.00 177.39 178.73 3mw6 h GLY 8 N 3.97 0.18 0.91 1.47 0.00 -1.99 -0.00 103.07 107.61 3mw6 h GLY 8 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3mw6 h GLY 8 CO 0.01 0.41 -0.06 0.00 0.00 0.00 0.00 176.54 176.90 3mw6 h ALA 9 N 0.75 -0.17 -0.13 3.60 0.00 -1.73 -0.68 119.26 120.90 3mw6 h ALA 9 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3mw6 h ALA 9 Cb 1.89 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3mw6 h ALA 9 CO 0.17 -0.55 -0.07 0.00 0.00 0.00 0.00 179.25 178.81 3mw6 h ALA 10 N 0.60 0.05 0.05 0.00 0.00 -1.42 0.23 119.26 118.77 3mw6 h ALA 10 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mw6 h ALA 10 Cb 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3mw6 h ALA 10 CO 0.03 -0.51 -0.03 1.25 0.00 0.00 0.00 179.25 179.98 3mw6 h LEU 11 N -0.05 -0.08 -0.78 0.00 5.85 -1.02 -1.07 115.31 118.16 3mw6 h LEU 11 Ca 0.08 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.95 3mw6 h LEU 11 Cb 0.17 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 3mw6 h LEU 11 CO -0.17 -0.05 0.34 0.50 -0.34 0.00 0.00 178.44 178.72 3mw6 h LYS 12 N -0.08 0.48 0.30 1.25 3.64 -0.84 -1.24 116.57 120.08 3mw6 h LYS 12 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3mw6 h LYS 12 Cb 0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3mw6 h LYS 12 CO 0.00 0.32 -0.16 0.77 -2.27 0.00 0.00 179.45 178.11 3mw6 h SER 13 N 0.49 -0.39 -0.18 4.20 0.02 -0.50 -2.43 113.55 114.76 3mw6 h SER 13 Ca 0.43 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.44 3mw6 h SER 13 Cb 0.64 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3mw6 h SER 13 CO -0.39 -0.27 -0.11 0.00 -1.14 0.00 0.00 176.83 174.92 3mw6 h ALA 14 N 0.26 0.03 0.00 3.77 0.00 -0.47 -2.50 119.26 120.35 3mw6 h ALA 14 Ca -0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3mw6 h ALA 14 Cb 0.34 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mw6 h ALA 14 CO 0.05 -0.54 -0.32 -0.39 0.00 0.00 0.00 179.25 178.05 3mw6 h VAL 15 N -0.11 1.21 0.00 0.00 -1.51 -1.22 -1.95 116.25 112.67 3mw6 h VAL 15 Ca 0.11 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 3mw6 h VAL 15 Cb 0.26 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 3mw6 h VAL 15 CO -0.25 0.31 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 3mw6 n GLN 16 N -4.12 0.10 -1.10 5.19 6.02 -0.92 -4.83 117.38 117.72 3mw6 n GLN 16 Ca -0.02 0.46 -0.16 0.00 -0.01 0.00 0.00 57.00 57.27 3mw6 n GLN 16 Cb 0.37 -1.75 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 3mw6 n GLN 16 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3mw6 n THR 17 N -1.95 3.00 -2.78 5.09 -2.24 -0.74 -5.06 114.28 109.60 3mw6 n THR 17 Ca 0.01 -1.89 -0.21 0.00 -2.27 0.00 0.00 64.05 59.69 3mw6 n THR 17 Cb 0.12 -1.78 0.03 0.00 -2.10 0.00 0.00 70.33 66.60 3mw6 n THR 17 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mw6 s SER 19 N 1.36 5.45 0.08 3.42 1.04 -1.26 -5.15 113.70 118.64 3mw6 s SER 19 Ca 0.56 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.80 3mw6 s SER 19 Cb 0.31 -0.99 -0.08 0.00 0.10 0.00 0.00 66.02 65.35 3mw6 s SER 19 CO -0.07 -0.99 1.54 0.50 0.98 0.00 0.00 173.24 175.20 3mw6 h LYS 20 N 0.23 0.41 -0.90 4.02 1.63 -1.97 -1.69 116.57 118.29 3mw6 h LYS 20 Ca -0.43 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.23 3mw6 h LYS 20 Cb 1.28 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.83 3mw6 h LYS 20 CO 0.52 0.57 0.48 -0.22 -3.45 0.00 0.00 179.45 177.36 3mw6 h LYS 21 N 0.20 1.26 -0.44 1.90 3.64 -2.04 -2.08 116.57 119.02 3mw6 h LYS 21 Ca 0.07 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 3mw6 h LYS 21 Cb 0.37 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3mw6 h LYS 21 CO 0.01 0.93 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.68 3mw6 h LYS 22 N 1.26 0.88 -0.05 1.90 1.63 -1.97 -1.74 116.57 118.48 3mw6 h LYS 22 Ca 0.32 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3mw6 h LYS 22 Cb 0.04 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3mw6 h LYS 22 CO -0.05 1.00 0.01 1.96 -3.45 0.00 0.00 179.45 178.92 3mw6 h GLN 23 N 0.76 0.09 -0.44 1.90 4.20 -0.99 -3.10 115.11 117.54 3mw6 h GLN 23 Ca 0.10 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3mw6 h GLN 23 Cb 0.75 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3mw6 h GLN 23 CO 0.06 0.34 0.08 1.79 -0.67 0.00 0.00 178.83 180.43 3mw6 h THR 24 N -0.17 1.20 0.00 -0.54 1.35 -1.34 -0.28 112.91 113.13 3mw6 h THR 24 Ca 0.02 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3mw6 h THR 24 Cb 0.30 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3mw6 h THR 24 CO 0.00 0.27 0.00 -0.62 -0.25 0.00 0.00 175.52 174.92 3mw6 n GLU 25 N -4.29 0.29 0.00 4.72 1.02 -0.66 -1.66 120.64 120.06 3mw6 n GLU 25 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3mw6 n GLU 25 Cb 0.22 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.82 0.00 -0.11 -3.67 5.41 -0.12 -1.91 119.36 119.79 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 0.14 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.04 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 0.42 -0.30 -1.39 0.00 -1.58 -1.95 119.26 114.45 3mw6 h ALA 28 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3mw6 h ALA 28 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mw6 h ALA 28 CO 0.00 0.15 0.14 -0.44 0.00 0.00 0.00 179.25 179.10 3mw6 h ASP 29 N 0.35 0.20 0.13 0.00 3.32 -1.64 -0.73 116.42 118.04 3mw6 h ASP 29 Ca 0.09 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3mw6 h ASP 29 Cb 0.40 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3mw6 h ASP 29 CO 0.01 0.15 -0.29 -0.74 -1.72 0.00 0.00 179.24 176.65 3mw6 h HIS 30 N 0.30 -0.79 0.01 4.55 2.76 -1.83 -1.01 115.15 119.13 3mw6 h HIS 30 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3mw6 h HIS 30 Cb 0.06 0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 3mw6 h HIS 30 CO -0.11 -0.40 -0.01 0.82 -1.30 0.00 0.00 177.93 176.93 3mw6 h ILE 31 N -0.51 0.98 0.00 6.26 2.04 -1.08 0.36 117.51 125.56 3mw6 h ILE 31 Ca 0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3mw6 h ILE 31 Cb 0.54 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3mw6 h ILE 31 CO -0.16 0.00 -0.24 1.88 0.00 0.00 0.00 178.15 179.63 3mw6 h TYR 32 N -0.02 0.00 0.02 1.37 -1.99 -1.16 -0.78 116.97 114.41 3mw6 h TYR 32 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.53 3mw6 h TYR 32 Cb 0.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 3mw6 h TYR 32 CO -0.08 0.24 -0.96 0.78 -0.00 0.00 0.00 178.16 178.13 3mw6 h GLY 33 N 0.72 0.09 0.64 3.88 0.00 -0.40 -3.38 103.07 104.62 3mw6 h GLY 33 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 47.33 46.78 3mw6 h GLY 33 CO 0.03 0.17 -1.97 1.17 0.00 0.00 0.00 176.54 175.93 3mw6 n LYS 34 N -3.49 0.74 -3.86 4.80 4.81 0.12 -4.91 118.16 116.37 3mw6 n LYS 34 Ca -0.02 0.26 -0.36 0.00 -0.87 0.00 0.00 58.31 57.32 3mw6 n LYS 34 Cb 0.88 -1.72 -0.13 0.00 0.02 0.00 0.00 35.03 34.09 3mw6 n LYS 34 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3mw6 s TYR 35 N -2.56 3.12 0.31 5.64 1.51 -0.34 -4.98 117.35 120.04 3mw6 s TYR 35 Ca -0.20 -1.29 0.01 0.00 -1.01 0.00 0.00 57.07 54.58 3mw6 s TYR 35 Cb 0.07 -2.16 0.55 0.00 -0.11 0.00 0.00 41.96 40.31 3mw6 s TYR 35 CO 0.77 -0.66 1.92 -0.44 -1.11 0.00 0.00 175.55 176.03 3mw6 h ASP 36 N 8.12 0.88 -0.74 2.29 3.45 -1.87 -1.83 116.42 126.72 3mw6 h ASP 36 Ca -0.31 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.22 3mw6 h ASP 36 Cb 1.11 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 39.65 3mw6 h ASP 36 CO 0.59 0.57 0.49 -0.37 -1.57 0.00 0.00 179.24 178.94 3mw6 h VAL 37 N 1.00 1.01 -0.01 -1.35 -1.51 -1.89 0.11 116.25 113.61 3mw6 h VAL 37 Ca 0.38 -0.26 -0.09 0.00 -1.23 0.00 0.00 66.70 65.50 3mw6 h VAL 37 Cb 0.19 0.19 0.01 0.00 -2.13 0.00 0.00 31.29 29.54 3mw6 h VAL 37 CO -0.14 0.14 -0.34 -0.26 -1.23 0.00 0.00 177.57 175.75 3mw6 h PHE 38 N 0.75 0.35 -0.56 5.19 -1.00 -1.71 -2.19 116.94 117.78 3mw6 h PHE 38 Ca 0.32 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3mw6 h PHE 38 Cb 0.29 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 3mw6 h PHE 38 CO -0.00 0.98 0.30 -0.22 -1.61 0.00 0.00 178.31 177.76 3mw6 h LYS 39 N -0.38 0.76 -0.64 1.51 3.64 -0.89 -2.62 116.57 117.95 3mw6 h LYS 39 Ca -0.04 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3mw6 h LYS 39 Cb 1.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3mw6 h LYS 39 CO 0.07 0.56 0.00 0.54 -2.27 0.00 0.00 179.45 178.35 3mw6 n ARG 40 N -4.40 3.46 -4.03 1.90 1.74 0.33 -4.98 116.66 110.68 3mw6 n ARG 40 Ca 0.05 -2.80 -0.32 0.00 -0.77 0.00 0.00 57.85 54.01 3mw6 n ARG 40 Cb 0.10 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 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 1.15 -1.53 -3.14 -1.55 3.01 -0.99 -4.97 117.46 109.44 3mw6 n PHE 41 Ca 0.25 0.54 -0.34 0.00 1.01 0.00 0.00 57.45 58.91 3mw6 n PHE 41 Cb 0.81 -3.27 -0.06 0.00 -0.01 0.00 0.00 39.48 36.95 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 -6.85 4.08 0.26 -1.08 1.02 -0.84 -4.72 119.74 111.60 3mw6 s LYS 42 Ca 0.16 0.72 -0.31 0.00 0.02 0.00 0.00 55.97 56.57 3mw6 s LYS 42 Cb -0.07 -2.59 -0.13 0.00 -0.52 0.00 0.00 37.83 34.52 3mw6 s LYS 42 CO 0.93 0.25 1.51 -2.30 -0.92 0.00 0.00 175.35 174.82 3mw6 n PRO 43 N 0.02 2.37 -3.40 -1.68 -0.02 -1.26 -4.86 135.00 126.17 3mw6 n PRO 43 Ca 0.01 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 3mw6 n PRO 43 Cb 0.52 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 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 4.35 0.35 2.45 1.43 -1.26 -1.12 118.68 124.76 3mw6 s LEU 44 Ca 0.67 1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 54.53 3mw6 s LEU 44 Cb -0.57 -3.19 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 3mw6 s LEU 44 CO 0.48 0.12 0.99 0.00 0.23 0.00 0.00 176.35 178.18 3mw6 n ALA 45 N 0.86 -0.06 -1.77 4.21 0.00 0.61 -4.58 120.51 119.78 3mw6 n ALA 45 Ca -0.06 0.31 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 3mw6 n ALA 45 Cb 0.52 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.93 3mw6 n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mw6 s LEU 46 N 0.09 4.17 -0.62 0.00 1.43 -1.26 -2.57 118.68 119.92 3mw6 s LEU 46 Ca 0.60 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 56.50 3mw6 s LEU 46 Cb -0.63 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3mw6 s LEU 46 CO 0.59 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.78 3mw6 n GLY 47 N 0.62 0.83 0.26 -3.19 0.00 -1.26 -4.92 105.19 97.53 3mw6 n GLY 47 Ca 0.04 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.79 -0.78 -0.61 6.09 -1.86 -2.50 117.51 118.64 3mw6 h ILE 48 Ca -0.12 -0.43 -0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3mw6 h ILE 48 Cb 0.39 1.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.89 3mw6 h ILE 48 CO 0.18 0.11 0.48 -2.24 -3.07 0.00 0.00 178.15 173.60 3mw6 h ASP 49 N 0.00 0.93 -0.84 2.19 -0.00 -1.91 0.30 116.42 117.09 3mw6 h ASP 49 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 56.94 3mw6 h ASP 49 Cb 0.24 -0.23 -0.04 0.00 -0.00 0.00 0.00 39.33 39.30 3mw6 h ASP 49 CO 0.01 0.71 0.42 1.56 -0.00 0.00 0.00 179.24 181.94 3mw6 h GLN 50 N 1.06 1.20 -0.76 4.15 1.08 -1.86 -1.09 115.11 118.90 3mw6 h GLN 50 Ca 0.28 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3mw6 h GLN 50 Cb -0.05 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.12 3mw6 h GLN 50 CO -0.05 0.91 0.37 -0.44 -0.95 0.00 0.00 178.83 178.67 3mw6 h ASP 51 N 1.19 0.99 -0.45 1.46 3.32 -0.94 -2.14 116.42 119.85 3mw6 h ASP 51 Ca 0.29 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3mw6 h ASP 51 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3mw6 h ASP 51 CO -0.04 0.84 0.12 -0.07 -1.72 0.00 0.00 179.24 178.37 3mw6 h LEU 52 N 1.07 0.66 -0.34 1.55 3.38 -0.16 -2.38 115.31 119.09 3mw6 h LEU 52 Ca 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3mw6 h LEU 52 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3mw6 h LEU 52 CO -0.03 0.71 0.13 0.40 0.09 0.00 0.00 178.44 179.74 3mw6 h ILE 53 N 0.58 1.19 -0.49 1.22 2.04 -1.00 0.11 117.51 121.16 3mw6 h ILE 53 Ca 0.14 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3mw6 h ILE 53 Cb 0.30 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3mw6 h ILE 53 CO -0.00 0.21 0.16 0.00 0.00 0.00 0.00 178.15 178.52 3mw6 h ALA 54 N 0.97 1.37 0.00 1.87 0.00 -1.41 -2.93 119.26 119.13 3mw6 h ALA 54 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3mw6 h ALA 54 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mw6 h ALA 54 CO -0.01 0.46 -0.54 0.00 0.00 0.00 0.00 179.25 179.16 3mw6 h ALA 55 N 1.48 0.72 -2.22 0.00 0.00 -0.81 -3.36 119.26 115.08 3mw6 h ALA 55 Ca 0.17 -0.49 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 3mw6 h ALA 55 Cb 0.19 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.48 3mw6 h ALA 55 CO -0.01 0.68 -0.75 1.28 0.00 0.00 0.00 179.25 180.44 3mw6 n LEU 56 N -3.34 3.59 0.15 0.00 4.77 0.32 -4.90 117.00 117.59 3mw6 n LEU 56 Ca 0.01 -5.50 0.18 0.00 -0.03 0.00 0.00 56.01 50.67 3mw6 n LEU 56 Cb 0.70 -0.30 0.78 0.00 -2.33 0.00 0.00 43.42 42.27 3mw6 n LEU 56 CO 0.40 2.30 1.16 1.55 -1.33 0.00 0.00 177.39 181.48 3mw6 h PRO 57 N 3.15 0.00 0.00 3.23 0.13 -1.69 -1.71 132.00 135.11 3mw6 h PRO 57 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3mw6 h PRO 57 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3mw6 h PRO 57 CO 0.75 0.00 -0.11 -0.56 -0.23 0.00 0.00 178.00 177.85 3mw6 h GLN 58 N 0.00 0.00 -6.23 0.86 -0.00 -1.89 -3.45 115.11 104.41 3mw6 h GLN 58 Ca 0.14 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.25 3mw6 h GLN 58 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.17 3mw6 h GLN 58 CO -0.00 0.11 -0.33 0.71 -0.00 0.00 0.00 178.83 179.32 3mw6 s TYR 59 N -4.07 3.48 -0.25 0.06 2.02 -0.64 -4.55 117.35 113.40 3mw6 s TYR 59 Ca -0.02 0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 3mw6 s TYR 59 Cb 0.12 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3mw6 s TYR 59 CO 0.57 0.38 1.84 0.34 -1.57 0.00 0.00 175.55 177.11 3mw6 s ASP 60 N -3.14 5.98 0.31 2.29 -1.08 -1.26 -4.89 116.67 114.88 3mw6 s ASP 60 Ca 0.39 1.60 0.07 0.00 -0.52 0.00 0.00 52.55 54.09 3mw6 s ASP 60 Cb -0.11 -2.52 0.86 0.00 -1.46 0.00 0.00 42.92 39.68 3mw6 s ASP 60 CO 0.29 -1.59 1.67 0.00 0.52 0.00 0.00 175.17 176.06 3mw6 h ALA 61 N 12.57 1.60 -0.68 3.66 0.00 -1.93 0.81 119.26 135.29 3mw6 h ALA 61 Ca -0.36 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3mw6 h ALA 61 Cb 1.18 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3mw6 h ALA 61 CO 1.00 -0.44 0.30 0.00 0.00 0.00 0.00 179.25 180.11 3mw6 h ALA 62 N 1.78 0.88 -0.23 0.00 0.00 -2.00 -1.78 119.26 117.91 3mw6 h ALA 62 Ca 0.63 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 3mw6 h ALA 62 Cb 1.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3mw6 h ALA 62 CO -0.59 0.47 -0.40 -0.07 0.00 0.00 0.00 179.25 178.66 3mw6 h LEU 63 N 0.95 0.57 -0.32 0.00 3.38 -1.28 -2.02 115.31 116.59 3mw6 h LEU 63 Ca 0.23 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3mw6 h LEU 63 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3mw6 h LEU 63 CO -0.02 0.91 0.12 0.40 0.09 0.00 0.00 178.44 179.93 3mw6 h ILE 64 N 0.44 0.92 -0.73 1.22 2.04 -0.85 0.26 117.51 120.82 3mw6 h ILE 64 Ca 0.04 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3mw6 h ILE 64 Cb 0.89 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3mw6 h ILE 64 CO 0.08 0.05 0.43 0.00 0.00 0.00 0.00 178.15 178.71 3mw6 h ALA 65 N 1.20 1.39 -0.24 1.87 0.00 -1.12 0.31 119.26 122.67 3mw6 h ALA 65 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3mw6 h ALA 65 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mw6 h ALA 65 CO -0.14 0.53 0.12 -0.09 0.00 0.00 0.00 179.25 179.67 3mw6 h ARG 66 N 1.01 0.34 -0.69 0.00 2.43 -0.61 -0.82 114.38 116.04 3mw6 h ARG 66 Ca 0.26 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3mw6 h ARG 66 Cb -0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3mw6 h ARG 66 CO -0.05 0.34 0.26 0.28 -1.51 0.00 0.00 179.97 179.28 3mw6 h VAL 67 N 0.26 1.25 -0.74 0.20 2.07 -0.13 -1.27 116.25 117.89 3mw6 h VAL 67 Ca 0.08 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3mw6 h VAL 67 Cb 0.10 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3mw6 h VAL 67 CO -0.01 0.32 0.34 0.25 0.02 0.00 0.00 177.57 178.48 3mw6 h LEU 68 N 0.98 0.97 -0.42 2.57 5.85 -0.82 -1.36 115.31 123.08 3mw6 h LEU 68 Ca 0.23 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3mw6 h LEU 68 Cb 0.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3mw6 h LEU 68 CO -0.02 0.83 -0.23 0.00 -0.34 0.00 0.00 178.44 178.69 3mw6 h ALA 69 N 1.32 0.60 -0.84 1.25 0.00 -0.65 -1.54 119.26 119.40 3mw6 h ALA 69 Ca 0.25 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3mw6 h ALA 69 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3mw6 h ALA 69 CO -0.03 0.59 0.42 -0.91 0.00 0.00 0.00 179.25 179.32 3mw6 h ASN 70 N 0.73 1.07 0.02 0.00 2.35 -1.01 -2.64 115.58 116.09 3mw6 h ASN 70 Ca 0.09 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3mw6 h ASN 70 Cb 0.80 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3mw6 h ASN 70 CO 0.07 0.89 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.99 3mw6 h HIS 71 N 1.18 -0.02 0.00 1.19 -0.00 -1.02 -2.98 115.15 113.49 3mw6 h HIS 71 Ca 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 3mw6 h HIS 71 Cb 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3mw6 h HIS 71 CO 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 177.93 177.95 3mw6 n ARG 73 N -1.30 1.45 -2.25 0.00 1.85 -1.02 -4.59 116.66 110.80 3mw6 n ARG 73 Ca 0.08 -1.44 -0.36 0.00 -1.00 0.00 0.00 57.85 55.13 3mw6 n ARG 73 Cb 0.15 -1.33 -0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.52 3.53 0.24 2.89 0.52 -0.94 -4.86 118.95 118.81 3mw6 s ARG 74 Ca 0.19 1.69 -0.07 0.00 -0.52 0.00 0.00 55.73 57.03 3mw6 s ARG 74 Cb 0.14 -2.18 0.43 0.00 0.52 0.00 0.00 34.95 33.86 3mw6 s ARG 74 CO 0.24 -0.73 1.65 -1.35 0.02 0.00 0.00 175.30 175.14 3mw6 h PRO 75 N 1.57 0.15 -0.26 3.54 0.11 -1.94 -0.99 132.00 134.19 3mw6 h PRO 75 Ca -0.50 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3mw6 h PRO 75 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3mw6 h PRO 75 CO 0.58 0.10 -0.03 0.00 -0.21 0.00 0.00 178.00 178.44 3mw6 h ARG 76 N 0.15 0.39 -0.15 1.05 3.08 -1.93 0.32 114.38 117.29 3mw6 h ARG 76 Ca 0.40 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.29 3mw6 h ARG 76 Cb 0.70 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3mw6 h ARG 76 CO -0.60 0.45 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.59 3mw6 h TYR 77 N 0.38 0.53 -0.70 3.04 3.20 -1.55 -2.13 116.97 119.74 3mw6 h TYR 77 Ca 0.08 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.83 3mw6 h TYR 77 Cb 0.30 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 3mw6 h TYR 77 CO 0.01 0.86 0.41 -0.07 -1.64 0.00 0.00 178.16 177.73 3mw6 h LEU 78 N 0.05 0.62 -0.91 2.82 -0.00 -0.79 -0.32 115.31 116.77 3mw6 h LEU 78 Ca 0.01 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 3mw6 h LEU 78 Cb 0.81 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 3mw6 h LEU 78 CO 0.05 0.41 0.60 0.11 -0.00 0.00 0.00 178.44 179.61 3mw6 h LYS 79 N 0.75 1.18 -0.58 1.13 1.57 -0.95 -0.48 116.57 119.19 3mw6 h LYS 79 Ca 0.31 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3mw6 h LYS 79 Cb 0.16 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3mw6 h LYS 79 CO -0.17 0.78 0.12 0.00 -0.57 0.00 0.00 179.45 179.61 3mw6 h ALA 80 N 1.35 0.77 -0.65 3.86 0.00 -0.63 0.85 119.26 124.81 3mw6 h ALA 80 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mw6 h ALA 80 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3mw6 h ALA 80 CO -0.09 0.50 0.42 -0.07 0.00 0.00 0.00 179.25 180.01 3mw6 h LEU 81 N 0.85 0.76 -1.23 0.00 3.38 -0.76 -1.88 115.31 116.43 3mw6 h LEU 81 Ca 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3mw6 h LEU 81 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3mw6 h LEU 81 CO 0.01 0.56 0.27 0.00 0.09 0.00 0.00 178.44 179.37 3mw6 h ALA 82 N 1.22 1.40 -0.17 1.53 0.00 -0.50 -0.88 119.26 121.86 3mw6 h ALA 82 Ca 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3mw6 h ALA 82 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mw6 h ALA 82 CO -0.05 0.47 -0.15 -0.09 0.00 0.00 0.00 179.25 179.43 3mw6 h ARG 83 N 0.80 0.28 0.00 0.00 2.43 -0.45 -3.47 114.38 113.98 3mw6 h ARG 83 Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3mw6 h ARG 83 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3mw6 h ARG 83 CO -0.03 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.28 3mw6 n GLY 84 N -0.79 -0.72 1.42 2.80 0.00 -0.34 -5.06 105.19 102.51 3mw6 n GLY 84 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.74 3.77 -0.02 0.00 -1.26 -4.90 105.19 101.04 3mw6 n GLY 85 Ca 0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 3.25 0.30 1.61 -0.14 -1.26 -0.44 119.74 123.06 3mw6 s LYS 86 Ca 0.00 1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 56.29 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 -0.95 0.51 1.03 -0.76 0.00 0.00 175.35 175.18 3mw6 s ARG 87 N -3.27 3.53 0.06 1.68 0.52 -0.63 -4.55 118.95 116.28 3mw6 s ARG 87 Ca 0.74 -0.27 0.07 0.00 -0.52 0.00 0.00 55.73 55.75 3mw6 s ARG 87 Cb -0.26 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3mw6 s ARG 87 CO 0.29 0.23 -0.19 -0.06 0.02 0.00 0.00 175.30 175.59 3mw6 s PHE 88 N -2.15 1.66 0.75 -0.53 0.08 -0.28 -0.57 117.98 116.94 3mw6 s PHE 88 Ca 0.40 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.05 3mw6 s PHE 88 Cb -0.10 -0.97 0.14 0.00 -0.57 0.00 0.00 43.02 41.52 3mw6 s PHE 88 CO 0.33 0.10 1.04 0.16 -0.10 0.00 0.00 175.22 176.75 3mw6 s ASP 89 N -1.36 4.17 0.56 1.36 3.84 -0.11 -0.28 116.67 124.85 3mw6 s ASP 89 Ca 0.06 -0.34 0.25 0.00 -0.00 0.00 0.00 52.55 52.51 3mw6 s ASP 89 Cb -0.09 0.03 1.57 0.00 -1.38 0.00 0.00 42.92 43.05 3mw6 s ASP 89 CO 0.02 -1.99 2.14 -0.07 -0.00 0.00 0.00 175.17 175.27 3mw6 h LEU 90 N -0.67 0.00 -0.80 2.11 3.38 -1.97 0.12 115.31 117.49 3mw6 h LEU 90 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mw6 h LEU 90 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3mw6 h LEU 90 CO 0.39 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.51 3mw6 n ASN 91 N -4.08 1.19 -1.66 -0.43 5.03 -1.26 -4.79 115.26 109.26 3mw6 n ASN 91 Ca 0.00 -1.78 -0.14 0.00 0.87 0.00 0.00 54.58 53.53 3mw6 n ASN 91 Cb 0.24 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 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 0.06 -4.26 -4.81 6.41 5.15 0.41 -5.02 115.26 113.20 3mw6 n ASN 92 Ca 0.12 -0.06 -0.26 0.00 -0.60 0.00 0.00 54.58 53.79 3mw6 n ASN 92 Cb 0.22 -3.37 -0.05 0.00 -0.53 0.00 0.00 39.78 36.05 3mw6 n ASN 92 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mw6 s ARG 93 N -4.82 2.93 0.30 1.20 0.52 -1.26 -4.87 118.95 112.94 3mw6 s ARG 93 Ca 0.05 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 3mw6 s ARG 93 Cb -0.02 -2.65 -0.12 0.00 0.52 0.00 0.00 34.95 32.68 3mw6 s ARG 93 CO 0.06 0.47 1.54 1.19 0.02 0.00 0.00 175.30 178.59 3mw6 n PHE 94 N -0.49 2.75 -3.21 -0.53 3.72 -1.26 -0.93 117.46 117.50 3mw6 n PHE 94 Ca -0.08 0.32 -0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3mw6 n PHE 94 Cb 0.55 -2.56 -0.05 0.00 -0.94 0.00 0.00 39.48 36.48 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 -0.75 0.80 1.87 -1.08 2.20 0.27 -4.75 119.74 118.30 3mw6 s LYS 95 Ca 0.63 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 3mw6 s LYS 95 Cb -0.52 -0.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 3mw6 s LYS 95 CO 0.51 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 3mw6 n GLY 96 N 3.87 -1.25 3.76 5.54 0.00 -1.26 -4.43 105.19 111.42 3mw6 n GLY 96 Ca 0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 1.18 -0.49 1.61 1.03 -1.26 -1.60 118.70 119.17 3mw6 s GLU 97 Ca 0.00 -0.66 -0.29 0.00 0.03 0.00 0.00 54.97 54.05 3mw6 s GLU 97 Cb 0.00 0.39 0.03 0.00 -0.80 0.00 0.00 34.13 33.75 3mw6 s GLU 97 CO 0.00 -0.54 1.15 0.08 -1.33 0.00 0.00 175.26 174.61 3mw6 s VAL 98 N -3.14 4.18 0.95 1.83 1.01 0.42 -4.68 120.40 120.97 3mw6 s VAL 98 Ca 0.13 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 3mw6 s VAL 98 Cb -0.01 -4.62 0.17 0.00 0.00 0.00 0.00 36.38 31.92 3mw6 s VAL 98 CO 0.02 -1.04 1.10 0.42 0.00 0.00 0.00 175.10 175.60 3mw6 s THR 99 N 4.51 2.36 0.22 3.92 -4.23 -1.26 -4.40 115.64 116.76 3mw6 s THR 99 Ca 0.48 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 3mw6 s THR 99 Cb -0.07 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.62 3mw6 s THR 99 CO 0.31 -0.15 1.86 -0.65 -0.54 0.00 0.00 174.62 175.45 3mw6 h PRO 100 N -1.89 0.92 -0.64 3.99 0.11 -1.99 -1.10 132.00 131.39 3mw6 h PRO 100 Ca -0.49 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 3mw6 h PRO 100 Cb 1.28 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3mw6 h PRO 100 CO 0.48 0.61 0.11 1.49 -0.21 0.00 0.00 178.00 180.48 3mw6 h GLU 101 N 0.95 1.04 -0.36 1.05 4.57 -1.99 -0.31 114.58 119.53 3mw6 h GLU 101 Ca 0.31 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3mw6 h GLU 101 Cb 0.02 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 3mw6 h GLU 101 CO -0.11 0.95 0.14 0.93 -1.18 0.00 0.00 179.01 179.74 3mw6 h GLU 102 N 0.98 0.54 -0.50 1.92 5.08 -1.85 -1.44 114.58 119.30 3mw6 h GLU 102 Ca 0.20 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3mw6 h GLU 102 Cb 0.41 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3mw6 h GLU 102 CO 0.01 0.53 0.20 0.37 -1.00 0.00 0.00 179.01 179.12 3mw6 h GLN 103 N 0.43 0.75 -0.75 2.33 4.15 -1.11 -1.95 115.11 118.96 3mw6 h GLN 103 Ca 0.12 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3mw6 h GLN 103 Cb 0.19 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3mw6 h GLN 103 CO -0.01 0.66 0.50 0.00 -1.93 0.00 0.00 178.83 178.05 3mw6 h ALA 104 N 1.05 0.96 -0.42 3.38 0.00 -0.80 0.12 119.26 123.55 3mw6 h ALA 104 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3mw6 h ALA 104 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3mw6 h ALA 104 CO -0.01 0.36 -0.21 0.82 0.00 0.00 0.00 179.25 180.20 3mw6 h ILE 105 N 1.01 1.27 -0.52 0.00 2.04 -1.06 -2.58 117.51 117.67 3mw6 h ILE 105 Ca 0.28 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 3mw6 h ILE 105 Cb -0.10 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3mw6 h ILE 105 CO -0.07 0.45 0.21 0.00 0.00 0.00 0.00 178.15 178.74 3mw6 h ALA 106 N 1.02 0.67 0.00 1.87 0.00 -0.85 -2.62 119.26 119.34 3mw6 h ALA 106 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mw6 h ALA 106 Cb 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3mw6 h ALA 106 CO 0.06 0.28 -0.06 1.96 0.00 0.00 0.00 179.25 181.49 3mw6 h GLN 107 N 0.69 0.00 0.00 0.00 4.20 -0.48 -0.96 115.11 118.57 3mw6 h GLN 107 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3mw6 h GLN 107 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mw6 h GLN 107 CO -0.01 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 178.30 3mw6 n ASN 108 N -3.52 0.00 -4.74 1.46 3.02 -0.99 -4.46 115.26 106.03 3mw6 n ASN 108 Ca -0.02 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.16 3mw6 n ASN 108 Cb 0.19 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.01 3.71 0.36 3.10 2.46 -0.37 -4.95 115.29 117.59 3mw6 s HIS 109 Ca 0.46 1.71 0.11 0.00 0.47 0.00 0.00 55.06 57.82 3mw6 s HIS 109 Cb 0.21 -3.17 0.89 0.00 -0.13 0.00 0.00 32.58 30.38 3mw6 s HIS 109 CO 0.36 -0.23 1.84 -1.35 -2.47 0.00 0.00 174.74 172.89 3mw6 h PRO 110 N 4.98 0.60 -0.26 2.88 0.11 -1.88 -1.67 132.00 136.75 3mw6 h PRO 110 Ca -0.44 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3mw6 h PRO 110 Cb 1.21 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3mw6 h PRO 110 CO 0.71 0.40 -0.10 0.74 -0.21 0.00 0.00 178.00 179.53 3mw6 h PHE 111 N 0.62 -0.24 -0.05 0.65 0.04 -1.94 -2.75 116.94 113.27 3mw6 h PHE 111 Ca 0.50 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 61.16 3mw6 h PHE 111 Cb 0.94 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 3mw6 h PHE 111 CO -0.00 -0.16 -0.56 0.28 -0.60 0.00 0.00 178.31 177.27 3mw6 h VAL 112 N -0.06 1.38 0.07 -0.55 2.07 -1.63 -3.01 116.25 114.53 3mw6 h VAL 112 Ca 0.13 -1.90 0.03 0.00 0.82 0.00 0.00 66.70 65.78 3mw6 h VAL 112 Cb 0.26 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3mw6 h VAL 112 CO -0.30 0.55 -0.32 1.56 0.02 0.00 0.00 177.57 179.08 3mw6 h GLN 113 N 0.11 -0.50 -0.51 1.57 1.08 -1.12 -1.14 115.11 114.61 3mw6 h GLN 113 Ca -0.00 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 3mw6 h GLN 113 Cb 1.02 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 3mw6 h GLN 113 CO 0.08 -0.33 0.34 0.37 -0.95 0.00 0.00 178.83 178.34 3mw6 h GLN 114 N -0.52 0.54 -0.27 1.46 4.15 -1.50 -2.88 115.11 116.09 3mw6 h GLN 114 Ca 0.04 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.45 3mw6 h GLN 114 Cb 0.57 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3mw6 h GLN 114 CO -0.22 0.36 0.14 0.00 -1.93 0.00 0.00 178.83 177.18 3mw6 h ALA 115 N 1.71 0.33 -0.00 3.38 0.00 -1.09 -3.52 119.26 120.06 3mw6 h ALA 115 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mw6 h ALA 115 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mw6 h ALA 115 CO -0.05 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.23