#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 h GLN 3 N 0.00 0.00 -0.29 -2.82 5.75 -2.05 -0.63 115.11 115.07 3mw6 h GLN 3 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 3mw6 h GLN 3 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3mw6 h GLN 3 CO 0.00 0.00 -0.33 1.49 -2.65 0.00 0.00 178.83 177.34 3mw6 h GLU 4 N 0.00 0.63 0.00 1.69 4.81 -2.05 -1.87 114.58 117.79 3mw6 h GLU 4 Ca 0.00 -0.29 -0.20 0.00 -0.13 0.00 0.00 59.36 58.74 3mw6 h GLU 4 Cb 0.29 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3mw6 h GLU 4 CO 0.00 0.88 -1.16 1.79 -0.73 0.00 0.00 179.01 179.79 3mw6 h THR 5 N 0.53 1.07 -0.38 0.32 1.35 -1.57 -1.68 112.91 112.55 3mw6 h THR 5 Ca 0.06 -2.70 -0.12 0.00 -0.55 0.00 0.00 66.41 63.10 3mw6 h THR 5 Cb 0.83 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 3mw6 h THR 5 CO 0.07 0.61 -0.21 0.00 -0.25 0.00 0.00 175.52 175.74 3mw6 h ALA 6 N 1.19 0.54 0.32 6.62 0.00 -1.37 -0.73 119.26 125.82 3mw6 h ALA 6 Ca -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3mw6 h ALA 6 Cb 1.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3mw6 h ALA 6 CO 0.09 0.50 -0.16 1.25 0.00 0.00 0.00 179.25 180.93 3mw6 h LEU 7 N 0.61 -0.38 -1.16 0.00 5.85 -1.40 -1.17 115.31 117.66 3mw6 h LEU 7 Ca 0.08 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.00 3mw6 h LEU 7 Cb 0.77 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 3mw6 h LEU 7 CO 0.06 -0.27 0.61 1.23 -0.34 0.00 0.00 178.44 179.74 3mw6 h GLY 8 N -0.44 1.48 1.32 3.75 0.00 -1.26 0.56 103.07 108.49 3mw6 h GLY 8 Ca -0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3mw6 h GLY 8 CO 0.07 -0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.29 3mw6 h ALA 9 N 1.62 0.80 -0.19 3.60 0.00 -0.77 -1.69 119.26 122.61 3mw6 h ALA 9 Ca 0.53 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3mw6 h ALA 9 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3mw6 h ALA 9 CO -0.30 0.65 -0.64 0.00 0.00 0.00 0.00 179.25 178.96 3mw6 h ALA 10 N 1.01 0.50 -0.35 0.00 0.00 0.21 -2.42 119.26 118.21 3mw6 h ALA 10 Ca 0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3mw6 h ALA 10 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3mw6 h ALA 10 CO 0.07 0.70 -0.33 -0.07 0.00 0.00 0.00 179.25 179.61 3mw6 h LEU 11 N 0.51 0.90 -0.07 0.00 3.38 -0.95 -1.20 115.31 117.88 3mw6 h LEU 11 Ca -0.01 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.53 3mw6 h LEU 11 Cb 1.23 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3mw6 h LEU 11 CO 0.13 1.18 -0.25 0.50 0.09 0.00 0.00 178.44 180.08 3mw6 h LYS 12 N 0.63 -0.34 -0.36 1.13 3.64 -1.29 -0.08 116.57 119.90 3mw6 h LYS 12 Ca 0.06 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3mw6 h LYS 12 Cb 0.92 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3mw6 h LYS 12 CO 0.08 -0.23 0.17 1.03 -2.27 0.00 0.00 179.45 178.24 3mw6 h SER 13 N -0.35 0.44 -0.16 4.20 0.87 -1.35 -0.93 113.55 116.27 3mw6 h SER 13 Ca 0.08 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3mw6 h SER 13 Cb 0.47 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3mw6 h SER 13 CO -0.27 0.39 -0.30 0.00 -0.53 0.00 0.00 176.83 176.12 3mw6 h ALA 14 N 1.69 0.25 -0.11 6.23 0.00 -0.33 -2.23 119.26 124.77 3mw6 h ALA 14 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3mw6 h ALA 14 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3mw6 h ALA 14 CO -0.02 0.27 -0.39 0.28 0.00 0.00 0.00 179.25 179.39 3mw6 h VAL 15 N 0.11 1.30 -0.03 0.00 2.07 -0.88 -3.07 116.25 115.75 3mw6 h VAL 15 Ca 0.01 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3mw6 h VAL 15 Cb 0.89 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3mw6 h VAL 15 CO 0.07 0.44 -0.01 -0.61 0.02 0.00 0.00 177.57 177.47 3mw6 h GLN 16 N 0.20 0.06 -0.92 1.57 4.15 -1.17 -1.99 115.11 117.01 3mw6 h GLN 16 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3mw6 h GLN 16 Cb 0.78 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3mw6 h GLN 16 CO 0.06 0.46 0.00 2.41 -1.93 0.00 0.00 178.83 179.83 3mw6 n THR 17 N -4.84 0.00 0.00 2.39 -1.04 -0.84 -1.42 114.28 108.53 3mw6 n THR 17 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3mw6 n THR 17 Cb 0.23 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 3mw6 n THR 17 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mw6 n SER 19 N 0.64 0.00 -0.10 8.00 2.88 -0.75 -1.67 113.62 122.61 3mw6 n SER 19 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3mw6 n SER 19 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3mw6 n SER 19 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mw6 h LYS 20 N 0.00 0.76 -0.47 -1.46 1.57 -1.53 -1.69 116.57 113.75 3mw6 h LYS 20 Ca 0.00 -0.38 0.06 0.00 -1.87 0.00 0.00 60.65 58.46 3mw6 h LYS 20 Cb 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3mw6 h LYS 20 CO 0.00 1.00 0.16 -0.22 -0.57 0.00 0.00 179.45 179.82 3mw6 h LYS 21 N 0.52 0.32 -0.53 3.15 3.64 -1.57 0.27 116.57 122.37 3mw6 h LYS 21 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3mw6 h LYS 21 Cb 0.84 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3mw6 h LYS 21 CO 0.07 0.21 0.16 -0.22 -2.27 0.00 0.00 179.45 177.40 3mw6 h LYS 22 N 0.33 0.83 -0.12 1.90 1.63 -1.79 -1.72 116.57 117.62 3mw6 h LYS 22 Ca 0.23 -0.18 -0.15 0.00 -0.85 0.00 0.00 60.65 59.70 3mw6 h LYS 22 Cb 0.24 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3mw6 h LYS 22 CO -0.24 0.77 -0.57 0.37 -3.45 0.00 0.00 179.45 176.33 3mw6 h GLN 23 N 0.73 0.36 -0.42 1.90 4.15 -0.85 -2.89 115.11 118.09 3mw6 h GLN 23 Ca 0.17 -0.23 0.05 0.00 0.77 0.00 0.00 58.65 59.40 3mw6 h GLN 23 Cb 0.29 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 3mw6 h GLN 23 CO -0.00 0.83 0.16 1.15 -1.93 0.00 0.00 178.83 179.04 3mw6 h THR 24 N 0.28 0.88 0.00 2.39 2.02 -0.30 -0.19 112.91 117.99 3mw6 h THR 24 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3mw6 h THR 24 Cb 1.08 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3mw6 h THR 24 CO 0.10 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 175.43 3mw6 n GLU 25 N -5.00 0.24 0.00 6.66 1.02 -0.66 -1.14 120.64 121.76 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 0.15 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.88 0.00 0.10 -3.67 5.41 -0.08 -1.29 119.36 120.71 3mw6 n ILE 27 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3mw6 n ILE 27 Cb 0.12 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.97 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 -0.19 -0.95 -1.39 0.00 -1.39 -0.63 119.26 114.71 3mw6 h ALA 28 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3mw6 h ALA 28 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 3mw6 h ALA 28 CO 0.00 -0.58 0.53 -0.44 0.00 0.00 0.00 179.25 178.76 3mw6 h ASP 29 N -0.24 0.64 -0.20 0.00 5.19 -1.45 -0.49 116.42 119.87 3mw6 h ASP 29 Ca -0.02 0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.34 3mw6 h ASP 29 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3mw6 h ASP 29 CO 0.03 0.20 -0.48 -0.74 -3.12 0.00 0.00 179.24 175.14 3mw6 h HIS 30 N 0.65 0.87 -0.22 4.55 2.76 -1.71 -2.69 115.15 119.37 3mw6 h HIS 30 Ca 0.55 -0.33 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3mw6 h HIS 30 Cb 0.90 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 3mw6 h HIS 30 CO -0.05 1.11 -0.09 0.82 -1.30 0.00 0.00 177.93 178.43 3mw6 h ILE 31 N 0.38 1.30 0.00 6.26 2.04 -0.61 -1.54 117.51 125.34 3mw6 h ILE 31 Ca -0.00 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 3mw6 h ILE 31 Cb 1.09 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3mw6 h ILE 31 CO 0.10 0.35 -0.01 1.88 0.00 0.00 0.00 178.15 180.47 3mw6 h TYR 32 N 0.16 0.00 0.00 1.37 -1.99 -1.20 -1.13 116.97 114.18 3mw6 h TYR 32 Ca 0.05 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.54 3mw6 h TYR 32 Cb 0.57 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.26 3mw6 h TYR 32 CO 0.06 0.01 -1.42 0.78 -0.00 0.00 0.00 178.16 177.59 3mw6 h GLY 33 N 1.49 0.00 0.14 3.88 0.00 -1.22 -3.41 103.07 103.94 3mw6 h GLY 33 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 3mw6 h GLY 33 CO 0.00 0.00 -2.28 1.17 0.00 0.00 0.00 176.54 175.43 3mw6 n LYS 34 N -3.09 0.65 -3.67 4.80 4.81 -0.60 -4.94 118.16 116.12 3mw6 n LYS 34 Ca -0.11 0.24 -0.38 0.00 -0.87 0.00 0.00 58.31 57.19 3mw6 n LYS 34 Cb 0.97 -1.58 -0.12 0.00 0.02 0.00 0.00 35.03 34.32 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 -2.51 3.17 0.42 5.64 1.51 -0.46 -4.98 117.35 120.15 3mw6 s TYR 35 Ca -0.32 -0.56 0.10 0.00 -1.01 0.00 0.00 57.07 55.28 3mw6 s TYR 35 Cb 0.09 -2.34 0.94 0.00 -0.11 0.00 0.00 41.96 40.54 3mw6 s TYR 35 CO 0.61 -0.44 2.04 -0.44 -1.11 0.00 0.00 175.55 176.21 3mw6 h ASP 36 N 8.34 0.41 0.57 2.29 3.45 -1.87 -2.41 116.42 127.21 3mw6 h ASP 36 Ca -0.33 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.10 3mw6 h ASP 36 Cb 1.15 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3mw6 h ASP 36 CO 0.61 0.28 -0.12 -0.37 -1.57 0.00 0.00 179.24 178.07 3mw6 h VAL 37 N 0.48 0.43 0.07 -1.35 -1.51 -1.89 -0.47 116.25 112.01 3mw6 h VAL 37 Ca 0.19 -0.63 -0.19 0.00 -1.23 0.00 0.00 66.70 64.84 3mw6 h VAL 37 Cb 0.15 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3mw6 h VAL 37 CO -0.05 0.12 -0.94 -0.26 -1.23 0.00 0.00 177.57 175.21 3mw6 h PHE 38 N 0.00 0.28 0.00 5.19 -1.00 -1.78 -2.75 116.94 116.88 3mw6 h PHE 38 Ca -0.00 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 3mw6 h PHE 38 Cb 0.44 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 3mw6 h PHE 38 CO 0.00 1.37 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.83 3mw6 h LYS 39 N -0.60 0.00 -0.25 1.51 3.64 -1.13 -2.51 116.57 117.24 3mw6 h LYS 39 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3mw6 h LYS 39 Cb 1.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3mw6 h LYS 39 CO 0.02 0.02 0.00 0.54 -2.27 0.00 0.00 179.45 177.76 3mw6 n ARG 40 N -4.49 1.99 -3.61 1.90 1.74 -0.22 -5.01 116.66 108.97 3mw6 n ARG 40 Ca -0.03 -1.87 -0.22 0.00 -0.77 0.00 0.00 57.85 54.96 3mw6 n ARG 40 Cb 0.11 -1.36 0.06 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.99 -2.29 -3.17 -1.55 3.01 -0.95 -4.99 117.46 108.51 3mw6 n PHE 41 Ca 0.13 0.93 -0.34 0.00 1.01 0.00 0.00 57.45 59.18 3mw6 n PHE 41 Cb 0.46 -4.73 -0.06 0.00 -0.01 0.00 0.00 39.48 35.15 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 -5.93 4.09 0.23 -1.08 1.02 -1.05 -4.71 119.74 112.31 3mw6 s LYS 42 Ca 0.23 0.70 -0.32 0.00 0.02 0.00 0.00 55.97 56.61 3mw6 s LYS 42 Cb -0.11 -2.70 -0.12 0.00 -0.52 0.00 0.00 37.83 34.37 3mw6 s LYS 42 CO 0.77 0.31 1.61 -2.30 -0.92 0.00 0.00 175.35 174.82 3mw6 n PRO 43 N 0.27 2.52 -3.65 -1.68 -0.02 -1.26 -4.87 135.00 126.31 3mw6 n PRO 43 Ca -0.00 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 3mw6 n PRO 43 Cb 0.52 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.49 4.36 0.33 2.45 1.43 -1.26 -0.95 118.68 125.53 3mw6 s LEU 44 Ca 0.72 0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 54.27 3mw6 s LEU 44 Cb -0.56 -2.85 -0.15 0.00 0.03 0.00 0.00 46.19 42.67 3mw6 s LEU 44 CO 0.41 0.21 0.51 0.00 0.23 0.00 0.00 176.35 177.70 3mw6 n ALA 45 N 1.01 -2.06 -1.78 4.21 0.00 0.45 -4.58 120.51 117.76 3mw6 n ALA 45 Ca -0.09 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 3mw6 n ALA 45 Cb 0.52 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 2.51 4.43 -0.11 0.00 1.43 -1.26 -2.47 118.68 123.20 3mw6 s LEU 46 Ca 0.62 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 3mw6 s LEU 46 Cb -0.73 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3mw6 s LEU 46 CO 0.59 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3mw6 n GLY 47 N 0.96 0.49 0.30 -3.19 0.00 -1.26 -4.90 105.19 97.59 3mw6 n GLY 47 Ca 0.01 -0.66 0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.27 -0.61 2.10 -1.84 -2.82 117.51 114.61 3mw6 h ILE 48 Ca -0.02 -0.23 0.01 0.00 1.08 0.00 0.00 64.86 65.70 3mw6 h ILE 48 Cb 0.09 1.20 -0.03 0.00 -1.09 0.00 0.00 36.82 37.00 3mw6 h ILE 48 CO 0.03 0.00 -0.40 -2.24 -1.08 0.00 0.00 178.15 174.46 3mw6 h ASP 49 N 0.00 -1.12 -0.82 2.19 -0.00 -1.90 0.28 116.42 115.04 3mw6 h ASP 49 Ca 0.00 0.11 0.18 0.00 -0.00 0.00 0.00 57.03 57.32 3mw6 h ASP 49 Cb 0.23 0.40 -0.11 0.00 -0.00 0.00 0.00 39.33 39.85 3mw6 h ASP 49 CO 0.00 -0.51 0.30 1.56 -0.00 0.00 0.00 179.24 180.59 3mw6 h GLN 50 N -0.73 0.36 -0.66 4.15 1.08 -1.91 0.18 115.11 117.57 3mw6 h GLN 50 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3mw6 h GLN 50 Cb 0.70 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 3mw6 h GLN 50 CO -0.14 0.24 0.34 -0.44 -0.95 0.00 0.00 178.83 177.88 3mw6 h ASP 51 N 0.37 0.85 -0.43 1.46 3.32 -1.33 -1.24 116.42 119.42 3mw6 h ASP 51 Ca 0.48 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 3mw6 h ASP 51 Cb 0.85 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3mw6 h ASP 51 CO -0.50 0.72 0.19 0.25 -1.72 0.00 0.00 179.24 178.17 3mw6 h LEU 52 N 0.91 0.58 -0.95 1.55 5.85 0.11 -1.74 115.31 121.62 3mw6 h LEU 52 Ca 0.23 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3mw6 h LEU 52 Cb 0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3mw6 h LEU 52 CO -0.03 0.57 0.36 0.40 -0.34 0.00 0.00 178.44 179.39 3mw6 h ILE 53 N 0.55 1.24 -0.33 4.05 2.04 -0.41 -0.91 117.51 123.75 3mw6 h ILE 53 Ca 0.14 -0.70 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 3mw6 h ILE 53 Cb 0.16 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3mw6 h ILE 53 CO -0.01 0.30 -0.42 0.00 0.00 0.00 0.00 178.15 178.01 3mw6 h ALA 54 N 1.29 0.49 0.00 1.87 0.00 -1.04 -3.17 119.26 118.71 3mw6 h ALA 54 Ca 0.26 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mw6 h ALA 54 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mw6 h ALA 54 CO -0.03 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3mw6 h ALA 55 N 0.72 0.99 -2.24 0.00 0.00 -0.98 -3.36 119.26 114.38 3mw6 h ALA 55 Ca 0.04 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 3mw6 h ALA 55 Cb 1.02 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.39 3mw6 h ALA 55 CO 0.10 0.03 -0.65 1.28 0.00 0.00 0.00 179.25 180.01 3mw6 n LEU 56 N -3.11 4.08 0.17 0.00 4.77 -0.38 -4.88 117.00 117.66 3mw6 n LEU 56 Ca 0.03 -5.57 0.13 0.00 -0.03 0.00 0.00 56.01 50.57 3mw6 n LEU 56 Cb 0.51 -0.54 0.59 0.00 -2.33 0.00 0.00 43.42 41.65 3mw6 n LEU 56 CO 0.33 2.25 0.89 1.55 -1.33 0.00 0.00 177.39 181.09 3mw6 h PRO 57 N 3.39 0.00 0.00 3.23 0.13 -1.72 -2.65 132.00 134.38 3mw6 h PRO 57 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3mw6 h PRO 57 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3mw6 h PRO 57 CO 0.81 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 3mw6 n GLN 58 N -2.43 0.21 -4.40 0.86 0.00 -1.26 -4.78 117.38 105.58 3mw6 n GLN 58 Ca 0.01 0.10 -0.27 0.00 0.00 0.00 0.00 57.00 56.83 3mw6 n GLN 58 Cb 0.19 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.81 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 -2.72 2.25 0.18 2.61 2.02 -1.00 -5.11 117.35 115.59 3mw6 s TYR 59 Ca 0.17 -0.38 -0.32 0.00 -0.37 0.00 0.00 57.07 56.18 3mw6 s TYR 59 Cb 0.15 -1.16 -0.12 0.00 -0.40 0.00 0.00 41.96 40.42 3mw6 s TYR 59 CO 0.36 0.42 1.73 -3.47 -1.57 0.00 0.00 175.55 173.01 3mw6 n ASP 60 N 0.55 3.85 -0.18 2.29 -0.08 -1.26 -4.92 116.55 116.80 3mw6 n ASP 60 Ca -0.15 1.05 -0.07 0.00 -1.51 0.00 0.00 54.79 54.10 3mw6 n ASP 60 Cb 0.55 -1.54 0.07 0.00 2.34 0.00 0.00 41.12 42.54 3mw6 n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mw6 h ALA 61 N 7.06 0.93 0.00 -1.67 0.00 -1.95 -1.94 119.26 121.68 3mw6 h ALA 61 Ca -0.44 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 3mw6 h ALA 61 Cb 1.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3mw6 h ALA 61 CO 0.94 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 180.64 3mw6 h ALA 62 N 1.09 1.56 0.00 0.00 0.00 -2.00 -2.37 119.26 117.54 3mw6 h ALA 62 Ca 0.17 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 3mw6 h ALA 62 Cb 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3mw6 h ALA 62 CO 0.03 0.25 -1.50 -0.07 0.00 0.00 0.00 179.25 177.96 3mw6 h LEU 63 N 0.00 0.00 -0.55 0.00 3.38 -1.88 -2.79 115.31 113.47 3mw6 h LEU 63 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3mw6 h LEU 63 Cb 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3mw6 h LEU 63 CO 0.03 0.76 0.25 0.40 0.09 0.00 0.00 178.44 179.97 3mw6 h ILE 64 N 0.00 0.89 -0.47 1.22 2.04 -1.13 -0.32 117.51 119.74 3mw6 h ILE 64 Ca -0.21 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3mw6 h ILE 64 Cb 1.76 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3mw6 h ILE 64 CO 0.06 0.09 0.12 0.00 0.00 0.00 0.00 178.15 178.42 3mw6 h ALA 65 N 1.33 1.34 -0.49 1.87 0.00 -1.42 -1.14 119.26 120.75 3mw6 h ALA 65 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3mw6 h ALA 65 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mw6 h ALA 65 CO -0.21 0.47 0.00 -0.09 0.00 0.00 0.00 179.25 179.43 3mw6 h ARG 66 N 0.68 0.85 -0.73 0.00 2.43 -1.15 -0.52 114.38 115.94 3mw6 h ARG 66 Ca 0.16 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3mw6 h ARG 66 Cb 0.24 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3mw6 h ARG 66 CO -0.00 0.89 0.26 0.28 -1.51 0.00 0.00 179.97 179.89 3mw6 h VAL 67 N 0.71 1.25 -0.14 0.20 2.07 -0.51 -0.46 116.25 119.37 3mw6 h VAL 67 Ca 0.14 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3mw6 h VAL 67 Cb 0.50 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3mw6 h VAL 67 CO 0.02 0.34 -0.06 0.25 0.02 0.00 0.00 177.57 178.14 3mw6 h LEU 68 N 1.08 0.28 -1.01 2.57 5.85 -1.02 -1.38 115.31 121.69 3mw6 h LEU 68 Ca 0.24 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3mw6 h LEU 68 Cb 0.26 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 3mw6 h LEU 68 CO -0.01 0.62 0.65 0.00 -0.34 0.00 0.00 178.44 179.36 3mw6 h ALA 69 N 0.67 1.42 0.06 1.25 0.00 -0.91 -1.24 119.26 120.51 3mw6 h ALA 69 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mw6 h ALA 69 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mw6 h ALA 69 CO 0.02 0.42 -0.03 -0.91 0.00 0.00 0.00 179.25 178.75 3mw6 h ASN 70 N 1.16 -0.07 -0.75 0.00 2.35 -0.93 -2.82 115.58 114.52 3mw6 h ASN 70 Ca 0.44 -0.14 0.14 0.00 -0.55 0.00 0.00 56.30 56.20 3mw6 h ASN 70 Cb 0.21 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.50 3mw6 h ASN 70 CO -0.19 0.09 0.28 -0.74 -1.65 0.00 0.00 177.43 175.23 3mw6 h HIS 71 N -0.24 0.48 0.00 1.19 2.76 -0.91 -2.20 115.15 116.23 3mw6 h HIS 71 Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3mw6 h HIS 71 Cb 0.21 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.07 3mw6 h HIS 71 CO -0.02 0.04 0.00 0.00 -1.30 0.00 0.00 177.93 176.65 3mw6 n ARG 73 N -1.61 0.11 -2.10 0.00 0.63 -0.84 -4.47 116.66 108.37 3mw6 n ARG 73 Ca 0.06 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.58 3mw6 n ARG 73 Cb 0.29 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.65 3mw6 n ARG 73 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3mw6 s ARG 74 N -3.07 4.30 0.24 -0.14 0.52 -0.99 -4.86 118.95 114.95 3mw6 s ARG 74 Ca 0.08 2.21 -0.08 0.00 -0.52 0.00 0.00 55.73 57.42 3mw6 s ARG 74 Cb 0.16 -3.03 0.41 0.00 0.52 0.00 0.00 34.95 33.01 3mw6 s ARG 74 CO 0.77 -0.23 1.63 -1.35 0.02 0.00 0.00 175.30 176.15 3mw6 h PRO 75 N 3.28 0.09 -0.83 3.54 0.11 -1.91 0.46 132.00 136.73 3mw6 h PRO 75 Ca -0.49 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.73 3mw6 h PRO 75 Cb 1.23 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3mw6 h PRO 75 CO 0.65 0.06 0.54 0.00 -0.21 0.00 0.00 178.00 179.04 3mw6 h ARG 76 N 0.09 0.69 -0.03 1.05 3.08 -1.93 -0.79 114.38 116.54 3mw6 h ARG 76 Ca 0.40 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.28 3mw6 h ARG 76 Cb 0.69 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.59 3mw6 h ARG 76 CO -0.67 0.46 -0.49 -0.92 -1.07 0.00 0.00 179.97 177.28 3mw6 h TYR 77 N 0.72 0.55 -0.98 3.04 3.20 -1.21 -2.35 116.97 119.93 3mw6 h TYR 77 Ca 0.39 -0.28 0.11 0.00 3.14 0.00 0.00 58.73 62.09 3mw6 h TYR 77 Cb 0.54 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 3mw6 h TYR 77 CO -0.00 1.07 0.63 -0.07 -1.64 0.00 0.00 178.16 178.15 3mw6 h LEU 78 N -0.12 0.92 -0.89 2.82 -0.00 -0.86 -0.78 115.31 116.40 3mw6 h LEU 78 Ca -0.05 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 3mw6 h LEU 78 Cb 1.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 3mw6 h LEU 78 CO 0.10 0.52 -0.41 0.11 -0.00 0.00 0.00 178.44 178.76 3mw6 h LYS 79 N 1.01 0.30 -0.68 1.13 1.57 -1.08 -1.26 116.57 117.56 3mw6 h LYS 79 Ca 0.47 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 3mw6 h LYS 79 Cb 0.42 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3mw6 h LYS 79 CO -0.23 0.67 0.21 0.00 -0.57 0.00 0.00 179.45 179.53 3mw6 h ALA 80 N 1.32 0.90 -0.34 3.86 0.00 -0.75 -0.98 119.26 123.26 3mw6 h ALA 80 Ca 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3mw6 h ALA 80 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3mw6 h ALA 80 CO 0.07 0.57 -0.22 -0.07 0.00 0.00 0.00 179.25 179.61 3mw6 h LEU 81 N 1.00 0.65 -0.91 0.00 3.38 -0.84 -2.31 115.31 116.27 3mw6 h LEU 81 Ca 0.22 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3mw6 h LEU 81 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3mw6 h LEU 81 CO -0.01 0.86 -0.51 0.00 0.09 0.00 0.00 178.44 178.87 3mw6 h ALA 82 N 1.19 1.09 -0.09 1.53 0.00 -0.75 -2.64 119.26 119.60 3mw6 h ALA 82 Ca 0.08 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3mw6 h ALA 82 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3mw6 h ALA 82 CO 0.05 0.65 -0.61 -0.09 0.00 0.00 0.00 179.25 179.25 3mw6 h ARG 83 N 0.06 0.31 0.00 0.00 2.43 -0.89 -3.47 114.38 112.83 3mw6 h ARG 83 Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3mw6 h ARG 83 Cb 0.93 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3mw6 h ARG 83 CO 0.07 0.82 0.00 0.41 -1.51 0.00 0.00 179.97 179.77 3mw6 n GLY 84 N 0.29 -1.31 2.42 2.80 0.00 -0.90 -5.06 105.19 103.43 3mw6 n GLY 84 Ca -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.91 3.77 -0.02 0.00 -1.26 -4.88 105.19 101.90 3mw6 n GLY 85 Ca 0.00 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 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 3.92 0.51 1.61 -0.14 -1.26 -0.34 119.74 124.04 3mw6 s LYS 86 Ca 0.00 1.71 -0.02 0.00 -1.36 0.00 0.00 55.97 56.30 3mw6 s LYS 86 Cb 0.00 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 3mw6 s LYS 86 CO 0.00 -0.40 0.77 1.03 -0.76 0.00 0.00 175.35 175.99 3mw6 s ARG 87 N -2.58 2.95 0.02 1.68 0.52 -0.37 -4.55 118.95 116.62 3mw6 s ARG 87 Ca 0.61 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 3mw6 s ARG 87 Cb -0.27 -2.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 3mw6 s ARG 87 CO 0.33 -0.48 -0.07 -0.06 0.02 0.00 0.00 175.30 175.04 3mw6 s PHE 88 N -2.74 0.63 0.56 -0.53 0.08 -0.13 -1.17 117.98 114.68 3mw6 s PHE 88 Ca 0.51 -0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 3mw6 s PHE 88 Cb -0.10 -0.39 0.12 0.00 -0.57 0.00 0.00 43.02 42.07 3mw6 s PHE 88 CO 0.41 -0.03 0.77 -0.40 -0.10 0.00 0.00 175.22 175.86 3mw6 n ASP 89 N 2.34 0.75 0.28 1.36 5.68 -0.47 -0.41 116.55 126.08 3mw6 n ASP 89 Ca -0.17 -1.70 0.17 0.00 -0.50 0.00 0.00 54.79 52.60 3mw6 n ASP 89 Cb 0.57 -0.52 0.94 0.00 -1.14 0.00 0.00 41.12 40.97 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 -1.88 -2.12 3.38 -1.97 -0.57 115.31 112.16 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 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3mw6 h LEU 90 CO 0.24 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.36 3mw6 n ASN 91 N -3.64 2.77 -2.91 -0.43 3.02 -1.26 -4.78 115.26 108.02 3mw6 n ASN 91 Ca -0.02 -2.12 -0.20 0.00 -0.03 0.00 0.00 54.58 52.21 3mw6 n ASN 91 Cb 0.17 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.02 3mw6 n ASN 91 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mw6 n ASN 92 N 0.75 -5.65 -4.53 6.41 2.85 -0.22 -5.01 115.26 109.86 3mw6 n ASN 92 Ca 0.16 -0.36 -0.30 0.00 -0.11 0.00 0.00 54.58 53.97 3mw6 n ASN 92 Cb 0.48 -4.36 -0.11 0.00 1.24 0.00 0.00 39.78 37.03 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 -5.86 1.99 0.31 1.20 0.52 -1.26 -4.90 118.95 110.96 3mw6 s ARG 93 Ca 0.39 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 3mw6 s ARG 93 Cb -0.17 -2.22 -0.12 0.00 0.52 0.00 0.00 34.95 32.95 3mw6 s ARG 93 CO 0.49 0.50 1.38 1.19 0.02 0.00 0.00 175.30 178.88 3mw6 n PHE 94 N 0.86 2.38 -3.14 -0.53 3.72 -1.26 -1.37 117.46 118.12 3mw6 n PHE 94 Ca -0.15 0.47 -0.01 0.00 -0.05 0.00 0.00 57.45 57.72 3mw6 n PHE 94 Cb 0.52 -2.46 -0.01 0.00 -0.94 0.00 0.00 39.48 36.59 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 -1.30 0.86 1.32 -1.08 2.20 -0.32 -4.77 119.74 116.66 3mw6 s LYS 95 Ca 0.60 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 3mw6 s LYS 95 Cb -0.57 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 3mw6 s LYS 95 CO 0.57 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3mw6 n GLY 96 N 4.16 -1.83 3.71 5.54 0.00 -1.26 -4.33 105.19 111.17 3mw6 n GLY 96 Ca 0.12 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 1.63 -0.36 1.61 1.03 -1.26 -1.23 118.70 120.12 3mw6 s GLU 97 Ca 0.00 -1.01 -0.29 0.00 0.03 0.00 0.00 54.97 53.70 3mw6 s GLU 97 Cb 0.00 0.56 0.02 0.00 -0.80 0.00 0.00 34.13 33.91 3mw6 s GLU 97 CO 0.00 -0.72 1.14 0.08 -1.33 0.00 0.00 175.26 174.43 3mw6 s VAL 98 N -3.93 4.35 0.90 1.83 1.01 0.54 -4.65 120.40 120.46 3mw6 s VAL 98 Ca 0.13 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 3mw6 s VAL 98 Cb -0.04 -4.42 0.13 0.00 0.00 0.00 0.00 36.38 32.06 3mw6 s VAL 98 CO 0.05 -0.64 1.09 0.42 0.00 0.00 0.00 175.10 176.02 3mw6 s THR 99 N 4.05 2.63 0.30 3.92 -4.23 -1.26 -4.48 115.64 116.56 3mw6 s THR 99 Ca 0.48 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 3mw6 s THR 99 Cb -0.12 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.33 3mw6 s THR 99 CO 0.22 -0.27 1.95 -0.65 -0.54 0.00 0.00 174.62 175.33 3mw6 h PRO 100 N -1.60 1.02 -0.41 3.99 0.11 -1.99 -0.86 132.00 132.26 3mw6 h PRO 100 Ca -0.49 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.44 3mw6 h PRO 100 Cb 1.28 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3mw6 h PRO 100 CO 0.53 0.71 -0.12 1.49 -0.21 0.00 0.00 178.00 180.40 3mw6 h GLU 101 N 1.05 0.81 -0.46 1.05 4.57 -1.99 -0.44 114.58 119.17 3mw6 h GLU 101 Ca 0.28 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3mw6 h GLU 101 Cb -0.06 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3mw6 h GLU 101 CO -0.05 0.95 0.28 0.93 -1.18 0.00 0.00 179.01 179.93 3mw6 h GLU 102 N 0.63 0.54 -0.62 1.92 5.08 -1.87 -1.58 114.58 118.69 3mw6 h GLU 102 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3mw6 h GLU 102 Cb 0.66 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3mw6 h GLU 102 CO 0.05 0.36 0.30 0.37 -1.00 0.00 0.00 179.01 179.09 3mw6 h GLN 103 N 0.55 0.88 -0.84 2.33 4.15 -1.04 -2.20 115.11 118.95 3mw6 h GLN 103 Ca 0.18 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3mw6 h GLN 103 Cb 0.00 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 3mw6 h GLN 103 CO -0.08 0.70 0.40 0.00 -1.93 0.00 0.00 178.83 177.93 3mw6 h ALA 104 N 1.13 1.08 -0.47 3.38 0.00 -0.81 -1.45 119.26 122.13 3mw6 h ALA 104 Ca 0.21 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3mw6 h ALA 104 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mw6 h ALA 104 CO -0.03 0.65 0.09 0.82 0.00 0.00 0.00 179.25 180.78 3mw6 h ILE 105 N 1.19 1.24 -0.49 0.00 2.04 -0.95 -2.77 117.51 117.77 3mw6 h ILE 105 Ca 0.29 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3mw6 h ILE 105 Cb 0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3mw6 h ILE 105 CO -0.04 0.31 0.02 0.00 0.00 0.00 0.00 178.15 178.45 3mw6 h ALA 106 N 0.96 1.12 0.00 1.87 0.00 -1.16 -1.97 119.26 120.09 3mw6 h ALA 106 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mw6 h ALA 106 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mw6 h ALA 106 CO 0.01 0.57 -0.04 1.96 0.00 0.00 0.00 179.25 181.74 3mw6 h GLN 107 N 0.75 0.00 0.00 0.00 4.20 -1.08 -1.90 115.11 117.08 3mw6 h GLN 107 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mw6 h GLN 107 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3mw6 h GLN 107 CO 0.02 0.04 0.00 0.09 -0.67 0.00 0.00 178.83 178.31 3mw6 n ASN 108 N -3.17 0.00 -4.73 1.46 3.02 -0.74 -4.41 115.26 106.69 3mw6 n ASN 108 Ca 0.00 0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 3mw6 n ASN 108 Cb 0.30 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.86 3.41 0.30 3.10 2.46 -0.72 -4.92 115.29 116.07 3mw6 s HIS 109 Ca 0.18 1.33 0.04 0.00 0.47 0.00 0.00 55.06 57.08 3mw6 s HIS 109 Cb 0.18 -3.45 0.67 0.00 -0.13 0.00 0.00 32.58 29.85 3mw6 s HIS 109 CO 0.47 -1.36 1.81 -1.35 -2.47 0.00 0.00 174.74 171.84 3mw6 h PRO 110 N 5.98 0.83 -0.36 2.88 0.11 -1.88 -0.33 132.00 139.23 3mw6 h PRO 110 Ca -0.43 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3mw6 h PRO 110 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3mw6 h PRO 110 CO 0.78 0.55 0.25 0.74 -0.21 0.00 0.00 178.00 180.11 3mw6 h PHE 111 N 0.86 0.16 0.01 0.65 0.04 -1.94 -2.38 116.94 114.33 3mw6 h PHE 111 Ca 0.53 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 61.06 3mw6 h PHE 111 Cb 0.71 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3mw6 h PHE 111 CO -0.00 0.08 -1.32 0.28 -0.60 0.00 0.00 178.31 176.75 3mw6 h VAL 112 N 0.16 1.32 0.22 -0.55 2.07 -1.36 -3.26 116.25 114.85 3mw6 h VAL 112 Ca 0.17 -3.09 -0.01 0.00 0.82 0.00 0.00 66.70 64.58 3mw6 h VAL 112 Cb 0.46 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3mw6 h VAL 112 CO -0.02 0.76 -0.15 1.56 0.02 0.00 0.00 177.57 179.74 3mw6 h GLN 113 N 0.00 -0.33 -1.00 1.57 7.50 -1.17 -2.01 115.11 119.67 3mw6 h GLN 113 Ca -0.14 0.02 0.23 0.00 0.50 0.00 0.00 58.65 59.26 3mw6 h GLN 113 Cb 1.88 0.08 -0.09 0.00 0.05 0.00 0.00 27.48 29.40 3mw6 h GLN 113 CO 0.11 -0.22 0.63 -0.56 -1.50 0.00 0.00 178.83 177.29 3mw6 h GLN 114 N -0.35 0.50 0.19 1.46 3.07 -1.71 -3.04 115.11 115.23 3mw6 h GLN 114 Ca -0.03 -0.03 -0.31 0.00 0.09 0.00 0.00 58.65 58.37 3mw6 h GLN 114 Cb 0.28 -0.11 0.02 0.00 0.08 0.00 0.00 27.48 27.75 3mw6 h GLN 114 CO 0.02 0.33 -1.41 0.00 0.09 0.00 0.00 178.83 177.86 3mw6 h ALA 115 N 1.63 -0.00 0.00 0.06 0.00 -1.57 -3.53 119.26 115.85 3mw6 h ALA 115 Ca 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mw6 h ALA 115 Cb 1.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3mw6 h ALA 115 CO -0.31 0.87 0.00 1.47 0.00 0.00 0.00 179.25 181.28