#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgw s HIS 6 N 0.00 3.40 -0.39 4.41 5.04 -1.26 -5.00 115.29 121.48 3mgw s HIS 6 Ca 0.00 1.24 -0.04 0.00 -1.54 0.00 0.00 55.06 54.72 3mgw s HIS 6 Cb 0.00 -3.48 0.09 0.00 0.04 0.00 0.00 32.58 29.24 3mgw s HIS 6 CO 0.00 -1.50 0.18 0.34 -2.34 0.00 0.00 174.74 171.42 3mgw s ASP 7 N 0.96 5.28 0.09 9.88 2.15 -1.26 -4.96 116.67 128.82 3mgw s ASP 7 Ca 0.59 -1.80 0.19 0.00 0.43 0.00 0.00 52.55 51.96 3mgw s ASP 7 Cb -0.31 -1.84 0.79 0.00 -0.30 0.00 0.00 42.92 41.25 3mgw s ASP 7 CO 0.30 -0.50 1.59 2.30 -0.17 0.00 0.00 175.17 178.69 3mgw n ILE 8 N 4.67 0.87 0.30 4.11 -5.35 -1.26 -1.58 119.36 121.12 3mgw n ILE 8 Ca -0.06 0.21 0.19 0.00 -0.27 0.00 0.00 62.75 62.82 3mgw n ILE 8 Cb 0.42 -1.01 0.96 0.00 -1.74 0.00 0.00 39.64 38.27 3mgw n ILE 8 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3mgw h THR 9 N 0.00 0.18 0.00 7.28 1.35 -1.96 -2.21 112.91 117.55 3mgw h THR 9 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3mgw h THR 9 Cb 0.32 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3mgw h THR 9 CO 0.00 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 3mgw n LYS 10 N -3.29 0.18 -2.26 4.72 5.02 -0.61 -4.77 118.16 117.14 3mgw n LYS 10 Ca -0.02 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 3mgw n LYS 10 Cb 0.16 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3mgw n LYS 10 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mgw s VAL 11 N -3.08 3.67 0.28 -0.18 1.01 -0.83 -5.00 120.40 116.27 3mgw s VAL 11 Ca 0.11 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 3mgw s VAL 11 Cb 0.14 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3mgw s VAL 11 CO 0.57 0.05 1.09 -1.81 0.00 0.00 0.00 175.10 175.00 3mgw s ASP 12 N 1.40 7.27 -0.15 3.32 1.01 -1.26 -5.02 116.67 123.25 3mgw s ASP 12 Ca 0.62 2.25 -0.16 0.00 0.71 0.00 0.00 52.55 55.98 3mgw s ASP 12 Cb -0.32 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.02 3mgw s ASP 12 CO 0.28 -0.14 0.43 0.28 0.21 0.00 0.00 175.17 176.24 3mgw s THR 13 N -1.17 0.01 -0.75 -1.27 -1.32 -1.26 -4.92 115.64 104.95 3mgw s THR 13 Ca 0.45 -0.04 0.15 0.00 -1.21 0.00 0.00 61.69 61.03 3mgw s THR 13 Cb -0.32 -0.62 0.49 0.00 -1.51 0.00 0.00 72.50 70.54 3mgw s THR 13 CO 0.40 -0.02 1.41 -1.54 -2.21 0.00 0.00 174.62 172.66 3mgw n SER 14 N 2.64 3.71 0.00 8.08 3.41 -1.26 -4.92 113.62 125.28 3mgw n SER 14 Ca -0.14 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 3mgw n SER 14 Cb 0.57 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3mgw n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mgw n GLY 15 N 0.35 0.97 3.85 5.00 0.00 -1.25 -3.50 105.19 110.61 3mgw n GLY 15 Ca 0.18 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 3mgw n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgw s ALA 16 N -1.86 3.22 0.78 4.61 0.00 -0.97 -3.21 121.76 124.33 3mgw s ALA 16 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 3mgw s ALA 16 Cb 0.00 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.28 3mgw s ALA 16 CO 0.00 0.10 1.14 -1.54 0.00 0.00 0.00 175.76 175.46 3mgw s SER 17 N -2.61 4.74 0.12 0.00 1.04 -1.26 -2.31 113.70 113.42 3mgw s SER 17 Ca 0.56 0.97 -0.21 0.00 0.48 0.00 0.00 55.95 57.75 3mgw s SER 17 Cb -0.10 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 3mgw s SER 17 CO 0.22 -1.78 1.69 -0.33 0.98 0.00 0.00 173.24 174.03 3mgw h GLU 18 N -0.96 -0.09 -0.74 4.02 5.08 -1.94 -1.39 114.58 118.56 3mgw h GLU 18 Ca -0.46 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.06 3mgw h GLU 18 Cb 1.30 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 3mgw h GLU 18 CO 0.64 -0.06 -0.15 0.82 -1.00 0.00 0.00 179.01 179.26 3mgw h ILE 19 N -0.09 0.27 -0.33 3.13 2.04 -1.94 -2.29 117.51 118.31 3mgw h ILE 19 Ca 0.08 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3mgw h ILE 19 Cb 0.21 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3mgw h ILE 19 CO -0.19 0.00 -0.11 0.74 0.00 0.00 0.00 178.15 178.59 3mgw h THR 20 N 0.01 1.28 -0.98 -0.27 2.02 -1.71 -3.40 112.91 109.86 3mgw h THR 20 Ca 0.36 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3mgw h THR 20 Cb 0.57 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 3mgw h THR 20 CO -0.75 0.38 0.64 0.00 0.37 0.00 0.00 175.52 176.17 3mgw h ALA 21 N 0.79 1.36 0.00 6.16 0.00 -0.65 -3.20 119.26 123.71 3mgw h ALA 21 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mgw h ALA 21 Cb 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mgw h ALA 21 CO 0.04 0.55 0.00 0.54 0.00 0.00 0.00 179.25 180.38 3mgw n ARG 22 N -4.43 0.00 0.04 0.00 1.74 -1.26 -1.67 116.66 111.08 3mgw n ARG 22 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3mgw n ARG 22 Cb 0.09 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.54 3mgw n ARG 22 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3mgw n GLN 23 N -1.34 0.00 -0.51 5.56 7.27 -1.21 -4.79 117.38 122.36 3mgw n GLN 23 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 3mgw n GLN 23 Cb 0.00 -0.24 0.24 0.00 2.41 0.00 0.00 30.24 32.65 3mgw n GLN 23 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3mgw n ASP 24 N -3.05 3.47 -3.54 1.69 9.92 -1.15 -4.99 116.55 118.90 3mgw n ASP 24 Ca 0.00 -3.20 -0.25 0.00 -0.53 0.00 0.00 54.79 50.81 3mgw n ASP 24 Cb 0.14 -0.56 0.05 0.00 -0.64 0.00 0.00 41.12 40.11 3mgw n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3mgw n LYS 25 N -0.72 -1.49 -4.20 -1.24 5.02 -1.18 -4.96 118.16 109.38 3mgw n LYS 25 Ca 0.24 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 3mgw n LYS 25 Cb 0.92 -4.59 -0.08 0.00 -0.02 0.00 0.00 35.03 31.26 3mgw n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mgw s LEU 26 N -6.00 3.73 0.14 -0.35 1.43 -0.67 -4.81 118.68 112.16 3mgw s LEU 26 Ca 0.43 0.11 0.23 0.00 -1.03 0.00 0.00 54.13 53.88 3mgw s LEU 26 Cb -0.13 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.13 3mgw s LEU 26 CO 0.83 0.30 1.13 0.35 0.23 0.00 0.00 176.35 179.19 3mgw n THR 27 N 1.49 0.44 -2.11 5.49 -2.24 -1.26 -4.61 114.28 111.47 3mgw n THR 27 Ca -0.15 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 3mgw n THR 27 Cb 0.53 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 3mgw n THR 27 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mgw s LEU 28 N -4.71 3.73 0.26 3.22 1.43 -1.26 -5.06 118.68 116.29 3mgw s LEU 28 Ca 0.02 2.32 0.09 0.00 -1.03 0.00 0.00 54.13 55.53 3mgw s LEU 28 Cb 0.12 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 3mgw s LEU 28 CO 0.77 -1.41 0.03 -1.10 0.23 0.00 0.00 176.35 174.87 3mgw s GLN 29 N -3.25 2.41 3.93 1.70 -0.21 -1.26 -4.59 119.66 118.39 3mgw s GLN 29 Ca 0.75 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.79 3mgw s GLN 29 Cb -0.28 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.49 3mgw s GLN 29 CO 0.31 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 3mgw n GLY 30 N -0.89 2.72 0.32 3.09 0.00 -0.98 -2.40 105.19 107.05 3mgw n GLY 30 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3mgw n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mgw h VAL 31 N 0.00 1.12 -0.96 1.61 2.07 -1.84 -0.93 116.25 117.32 3mgw h VAL 31 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3mgw h VAL 31 Cb 0.00 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 3mgw h VAL 31 CO 0.00 0.12 0.62 0.44 0.02 0.00 0.00 177.57 178.77 3mgw h ASP 32 N 0.66 1.12 -0.14 0.57 3.32 -1.85 -0.17 116.42 119.93 3mgw h ASP 32 Ca 0.18 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3mgw h ASP 32 Cb -0.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 3mgw h ASP 32 CO -0.04 0.82 -0.02 0.00 -1.72 0.00 0.00 179.24 178.29 3mgw h ALA 33 N 1.34 0.18 -0.74 3.45 0.00 -0.87 -2.03 119.26 120.60 3mgw h ALA 33 Ca 0.35 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3mgw h ALA 33 Cb -0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3mgw h ALA 33 CO -0.07 -0.09 0.42 0.77 0.00 0.00 0.00 179.25 180.28 3mgw h SER 34 N -0.04 0.64 -0.87 0.00 0.02 -1.08 -0.55 113.55 111.66 3mgw h SER 34 Ca 0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3mgw h SER 34 Cb 0.42 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 3mgw h SER 34 CO 0.01 0.40 0.51 0.45 -1.14 0.00 0.00 176.83 177.06 3mgw h HIS 35 N 0.77 1.18 -0.18 3.45 -0.00 -0.96 -0.62 115.15 118.79 3mgw h HIS 35 Ca 0.33 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.62 3mgw h HIS 35 Cb 0.21 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3mgw h HIS 35 CO -0.07 0.80 -0.15 -0.22 -0.00 0.00 0.00 177.93 178.29 3mgw h LYS 36 N 1.22 0.41 -0.62 2.45 1.63 -0.77 -0.68 116.57 120.22 3mgw h LYS 36 Ca 0.31 -0.21 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3mgw h LYS 36 Cb -0.02 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.56 3mgw h LYS 36 CO -0.05 0.76 0.31 -0.07 -3.45 0.00 0.00 179.45 176.95 3mgw h LEU 37 N 0.08 0.44 -0.21 5.20 3.38 -1.01 -1.18 115.31 122.00 3mgw h LEU 37 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mgw h LEU 37 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3mgw h LEU 37 CO 0.04 0.28 0.13 0.00 0.09 0.00 0.00 178.44 178.98 3mgw h ALA 38 N 1.35 0.27 -0.80 1.53 0.00 -1.02 -2.87 119.26 117.72 3mgw h ALA 38 Ca 0.28 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3mgw h ALA 38 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3mgw h ALA 38 CO -0.20 -0.21 0.48 1.49 0.00 0.00 0.00 179.25 180.81 3mgw h GLU 39 N 0.26 0.85 0.00 0.00 4.81 -0.74 0.04 114.58 119.79 3mgw h GLU 39 Ca 0.08 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3mgw h GLU 39 Cb 0.03 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3mgw h GLU 39 CO -0.01 0.56 -0.00 0.45 -0.73 0.00 0.00 179.01 179.28 3mgw h HIS 40 N 0.88 0.00 -0.02 0.92 3.86 -1.00 -2.26 115.15 117.53 3mgw h HIS 40 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3mgw h HIS 40 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3mgw h HIS 40 CO -0.05 0.00 -0.34 -0.25 0.86 0.00 0.00 177.93 178.16 3mgw n ASP 41 N -3.31 2.06 -0.28 2.45 8.00 -0.05 -4.67 116.55 120.75 3mgw n ASP 41 Ca -0.03 -1.53 -0.04 0.00 0.71 0.00 0.00 54.79 53.90 3mgw n ASP 41 Cb 0.09 0.38 0.07 0.00 -0.02 0.00 0.00 41.12 41.64 3mgw n ASP 41 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3mgw h LEU 42 N 2.60 0.88 -0.18 0.64 5.85 -0.83 -0.20 115.31 124.06 3mgw h LEU 42 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3mgw h LEU 42 Cb 0.72 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3mgw h LEU 42 CO 0.00 0.63 0.06 0.58 -0.34 0.00 0.00 178.44 179.37 3mgw h VAL 43 N 1.04 1.18 -0.51 1.05 2.07 -1.83 -1.92 116.25 117.33 3mgw h VAL 43 Ca 0.29 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3mgw h VAL 43 Cb -0.10 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3mgw h VAL 43 CO -0.07 0.17 0.18 0.03 0.02 0.00 0.00 177.57 177.90 3mgw h ARG 44 N 0.13 0.77 -0.80 1.57 3.08 -1.85 -3.03 114.38 114.27 3mgw h ARG 44 Ca 0.06 -0.16 0.10 0.00 0.07 0.00 0.00 59.98 60.06 3mgw h ARG 44 Cb 0.21 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 3mgw h ARG 44 CO -0.00 0.71 0.43 1.98 -1.07 0.00 0.00 179.97 182.02 3mgw h MET 45 N 0.68 0.69 -0.43 0.04 4.05 -0.93 -2.31 114.93 116.72 3mgw h MET 45 Ca 0.17 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.67 3mgw h MET 45 Cb 0.24 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3mgw h MET 45 CO -0.01 0.45 0.34 -0.91 0.23 0.00 0.00 176.91 177.01 3mgw h ASN 46 N 0.71 0.00 0.01 1.39 2.35 -1.21 0.18 115.58 119.00 3mgw h ASN 46 Ca 0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3mgw h ASN 46 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3mgw h ASN 46 CO -0.27 0.00 -0.01 0.50 -1.65 0.00 0.00 177.43 176.00 3mgw h LYS 47 N 0.00 0.00 -0.04 0.81 3.64 -1.49 -2.97 116.57 116.52 3mgw h LYS 47 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3mgw h LYS 47 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3mgw h LYS 47 CO -0.00 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 3mgw n TYR 48 N -4.40 0.03 -0.35 1.91 4.01 0.58 -4.69 117.16 114.25 3mgw n TYR 48 Ca -0.03 -0.03 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 3mgw n TYR 48 Cb 0.10 -0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.34 3mgw n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3mgw h LYS 49 N 2.90 1.04 -0.72 -0.72 3.64 -1.28 0.82 116.57 122.25 3mgw h LYS 49 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3mgw h LYS 49 Cb 0.63 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3mgw h LYS 49 CO 0.00 0.69 0.37 1.49 -2.27 0.00 0.00 179.45 179.73 3mgw h GLU 50 N 1.07 1.03 -0.19 1.90 4.81 -1.84 -0.62 114.58 120.75 3mgw h GLU 50 Ca 0.45 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 3mgw h GLU 50 Cb 0.30 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3mgw h GLU 50 CO -0.20 0.79 -0.57 -0.07 -0.73 0.00 0.00 179.01 178.23 3mgw h LEU 51 N 1.01 0.82 -0.45 1.64 3.38 -1.53 -2.54 115.31 117.64 3mgw h LEU 51 Ca 0.25 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3mgw h LEU 51 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3mgw h LEU 51 CO -0.04 1.27 0.24 0.40 0.09 0.00 0.00 178.44 180.40 3mgw h ILE 52 N 0.42 0.99 -0.10 1.22 2.04 -0.75 -0.72 117.51 120.60 3mgw h ILE 52 Ca -0.02 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3mgw h ILE 52 Cb 1.19 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3mgw h ILE 52 CO 0.12 0.09 0.05 0.74 0.00 0.00 0.00 178.15 179.14 3mgw h THR 53 N 0.47 1.12 -0.65 -0.27 2.02 -1.10 -1.01 112.91 113.50 3mgw h THR 53 Ca 0.19 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3mgw h THR 53 Cb 0.08 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3mgw h THR 53 CO -0.12 0.11 0.33 -0.09 0.37 0.00 0.00 175.52 176.12 3mgw h ARG 54 N 0.03 0.92 -0.40 6.66 9.65 -1.28 -1.10 114.38 128.87 3mgw h ARG 54 Ca 0.04 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 3mgw h ARG 54 Cb 0.13 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 3mgw h ARG 54 CO -0.00 0.72 0.02 0.28 2.80 0.00 0.00 179.97 183.79 3mgw h VAL 55 N 0.89 1.25 -1.00 0.20 2.07 -1.00 -1.13 116.25 117.53 3mgw h VAL 55 Ca 0.23 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3mgw h VAL 55 Cb 0.09 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3mgw h VAL 55 CO -0.03 0.32 0.65 1.23 0.02 0.00 0.00 177.57 179.76 3mgw h GLY 56 N 0.52 1.50 1.04 2.17 0.00 -0.88 -1.80 103.07 105.62 3mgw h GLY 56 Ca 0.12 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3mgw h GLY 56 CO 0.02 0.37 -0.55 1.46 0.00 0.00 0.00 176.54 177.83 3mgw h GLN 57 N 1.20 0.72 -0.08 4.80 4.20 -0.82 0.92 115.11 126.05 3mgw h GLN 57 Ca 0.42 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3mgw h GLN 57 Cb 0.11 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3mgw h GLN 57 CO -0.16 1.13 -0.17 0.87 -0.67 0.00 0.00 178.83 179.83 3mgw h LYS 58 N 0.43 0.13 -0.01 1.46 1.57 -0.87 -3.02 116.57 116.27 3mgw h LYS 58 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3mgw h LYS 58 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3mgw h LYS 58 CO 0.12 0.31 -0.64 0.72 -0.57 0.00 0.00 179.45 179.39 3mgw n HIS 59 N -4.27 0.00 -2.86 -1.35 8.25 -0.71 -5.00 115.22 109.27 3mgw n HIS 59 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3mgw n HIS 59 Cb 0.27 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 3mgw n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgw n GLY 60 N 1.38 0.34 3.10 -1.41 0.00 0.11 -5.06 105.19 103.66 3mgw n GLY 60 Ca 0.06 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3mgw n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mgw s LEU 61 N -3.45 1.96 -0.02 0.99 2.96 0.00 -5.03 118.68 116.08 3mgw s LEU 61 Ca 0.19 -0.27 -0.35 0.00 -0.22 0.00 0.00 54.13 53.48 3mgw s LEU 61 Cb -0.08 -0.77 -0.13 0.00 0.50 0.00 0.00 46.19 45.71 3mgw s LEU 61 CO 0.28 0.15 1.71 -0.67 -1.32 0.00 0.00 176.35 176.50 3mgw n ASP 62 N 2.91 2.99 -0.03 3.68 -0.08 -1.26 -4.31 116.55 120.45 3mgw n ASP 62 Ca -0.16 1.04 0.20 0.00 -1.51 0.00 0.00 54.79 54.35 3mgw n ASP 62 Cb 0.54 -1.33 0.66 0.00 2.34 0.00 0.00 41.12 43.33 3mgw n ASP 62 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mgw h PRO 63 N 7.42 0.07 -0.05 -0.67 0.11 -1.85 -1.56 132.00 135.47 3mgw h PRO 63 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3mgw h PRO 63 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3mgw h PRO 63 CO 0.91 0.05 -0.23 0.00 -0.21 0.00 0.00 178.00 178.52 3mgw h ALA 64 N 1.71 1.52 -0.29 -0.75 0.00 -1.88 -1.39 119.26 118.19 3mgw h ALA 64 Ca 0.28 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3mgw h ALA 64 Cb 1.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mgw h ALA 64 CO -0.02 0.35 -0.27 0.82 0.00 0.00 0.00 179.25 180.13 3mgw h ILE 65 N 0.08 1.30 -0.62 0.00 1.08 -1.56 -1.04 117.51 116.75 3mgw h ILE 65 Ca 0.01 -1.43 0.05 0.00 -0.39 0.00 0.00 64.86 63.10 3mgw h ILE 65 Cb 0.45 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.73 3mgw h ILE 65 CO 0.03 0.46 0.35 0.40 -0.69 0.00 0.00 178.15 178.70 3mgw h ILE 66 N 0.43 0.99 -0.88 -0.67 2.04 -1.39 -0.82 117.51 117.21 3mgw h ILE 66 Ca 0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3mgw h ILE 66 Cb 0.83 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3mgw h ILE 66 CO 0.07 0.12 0.47 0.00 0.00 0.00 0.00 178.15 178.81 3mgw h ALA 67 N 1.31 1.17 -0.56 1.87 0.00 -1.11 -0.29 119.26 121.65 3mgw h ALA 67 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3mgw h ALA 67 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mgw h ALA 67 CO -0.16 0.66 0.23 0.78 0.00 0.00 0.00 179.25 180.76 3mgw h GLY 68 N 1.24 0.89 0.99 0.00 0.00 -0.70 0.23 103.07 105.73 3mgw h GLY 68 Ca 0.31 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3mgw h GLY 68 CO -0.05 0.45 -0.21 -2.22 0.00 0.00 0.00 176.54 174.52 3mgw h ILE 69 N 0.76 0.58 -0.70 2.60 1.08 -0.81 -1.42 117.51 119.60 3mgw h ILE 69 Ca 0.19 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.72 3mgw h ILE 69 Cb 0.19 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 3mgw h ILE 69 CO -0.02 0.00 0.39 0.40 -0.69 0.00 0.00 178.15 178.24 3mgw h ILE 70 N -0.56 0.97 -0.17 -0.67 2.04 -0.85 0.20 117.51 118.46 3mgw h ILE 70 Ca -0.05 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3mgw h ILE 70 Cb 0.44 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3mgw h ILE 70 CO 0.08 0.13 0.06 -1.28 0.00 0.00 0.00 178.15 177.15 3mgw h SER 71 N 0.72 0.08 -0.01 1.72 0.87 -0.86 -1.70 113.55 114.37 3mgw h SER 71 Ca 0.32 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3mgw h SER 71 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3mgw h SER 71 CO -0.19 0.07 0.00 -0.09 -0.53 0.00 0.00 176.83 176.10 3mgw h ARG 72 N 0.15 0.02 -0.64 2.24 9.65 -0.62 -1.01 114.38 124.17 3mgw h ARG 72 Ca 0.07 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3mgw h ARG 72 Cb 0.04 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3mgw h ARG 72 CO -0.07 0.27 0.19 0.93 2.80 0.00 0.00 179.97 184.10 3mgw h GLU 73 N -0.23 1.01 0.00 0.20 4.39 -0.59 -3.39 114.58 115.96 3mgw h GLU 73 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3mgw h GLU 73 Cb 0.26 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3mgw h GLU 73 CO 0.00 0.89 0.00 -1.13 -1.16 0.00 0.00 179.01 177.61 3mgw n SER 74 N -4.35 0.14 -3.91 1.42 3.41 -0.65 -4.89 113.62 104.78 3mgw n SER 74 Ca 0.04 -1.01 -0.26 0.00 -0.26 0.00 0.00 58.87 57.38 3mgw n SER 74 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3mgw n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mgw n ARG 75 N -0.01 -3.92 -3.44 4.33 5.12 -0.38 -1.39 116.66 116.96 3mgw n ARG 75 Ca 0.00 0.48 -0.25 0.00 -1.93 0.00 0.00 57.85 56.15 3mgw n ARG 75 Cb 0.24 -4.85 0.01 0.00 -1.16 0.00 0.00 32.46 26.70 3mgw n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgw n ALA 76 N -4.39 -1.10 0.00 7.54 0.00 -1.12 -1.88 120.51 119.57 3mgw n ALA 76 Ca -0.24 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3mgw n ALA 76 Cb 0.65 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.76 3mgw n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgw n GLY 77 N -1.34 2.63 0.29 0.00 0.00 -0.49 -4.67 105.19 101.62 3mgw n GLY 77 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3mgw n GLY 77 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgw h SER 78 N 0.33 0.00 -0.04 1.61 0.02 -0.87 -2.33 113.55 112.27 3mgw h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mgw h SER 78 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mgw h SER 78 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3mgw n ALA 79 N -2.54 2.53 -2.69 3.77 0.00 -0.64 -4.95 120.51 116.00 3mgw n ALA 79 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 3mgw n ALA 79 Cb 0.22 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3mgw n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mgw s LEU 80 N -1.95 4.14 -0.46 0.00 1.43 -0.88 -4.85 118.68 116.11 3mgw s LEU 80 Ca 0.35 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 3mgw s LEU 80 Cb 0.21 -3.28 0.12 0.00 0.03 0.00 0.00 46.19 43.26 3mgw s LEU 80 CO 0.32 -0.15 0.32 -0.62 0.23 0.00 0.00 176.35 176.46 3mgw s ASP 81 N -3.42 5.64 -1.46 2.29 2.15 0.42 -4.66 116.67 117.62 3mgw s ASP 81 Ca 0.40 -1.93 -0.04 0.00 0.43 0.00 0.00 52.55 51.41 3mgw s ASP 81 Cb -0.10 -1.98 0.03 0.00 -0.30 0.00 0.00 42.92 40.56 3mgw s ASP 81 CO 0.31 -0.67 0.49 1.41 -0.17 0.00 0.00 175.17 176.54 3mgw n HIS 82 N 4.86 -1.68 0.00 -5.34 8.25 -1.26 -1.80 115.22 118.25 3mgw n HIS 82 Ca -0.07 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 3mgw n HIS 82 Cb 0.41 -3.60 0.00 0.00 1.12 0.00 0.00 29.99 27.92 3mgw n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgw n GLY 83 N -1.89 1.76 3.81 -1.41 0.00 -1.26 -5.01 105.19 101.18 3mgw n GLY 83 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3mgw n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mgw s TRP 84 N -2.44 3.42 0.28 1.61 0.52 -0.75 -0.08 118.94 121.51 3mgw s TRP 84 Ca 0.00 0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.55 3mgw s TRP 84 Cb 0.00 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 3mgw s TRP 84 CO 0.00 0.63 0.28 0.41 0.02 0.00 0.00 176.95 178.29 3mgw n GLY 85 N 1.93 2.90 3.61 0.98 0.00 -0.34 -0.44 105.19 113.83 3mgw n GLY 85 Ca -0.19 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 3mgw n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mgw n ASP 86 N -1.86 -2.90 -2.94 1.61 2.03 -1.26 -1.39 116.55 109.83 3mgw n ASP 86 Ca 0.05 -0.69 -0.21 0.00 0.52 0.00 0.00 54.79 54.46 3mgw n ASP 86 Cb 0.50 -4.61 0.02 0.00 -0.72 0.00 0.00 41.12 36.30 3mgw n ASP 86 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3mgw n HIS 87 N -4.41 -1.73 -0.06 -0.67 8.25 -1.26 -1.58 115.22 113.76 3mgw n HIS 87 Ca -0.20 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3mgw n HIS 87 Cb 0.63 -3.92 0.00 0.00 1.12 0.00 0.00 29.99 27.82 3mgw n HIS 87 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgw n GLY 88 N -1.30 1.87 0.20 -1.41 0.00 -0.49 -4.91 105.19 99.15 3mgw n GLY 88 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 3mgw n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgw h LYS 89 N 2.77 0.31 -5.72 1.61 1.57 -1.06 -3.45 116.57 112.61 3mgw h LYS 89 Ca 0.00 -0.16 -0.66 0.00 -1.87 0.00 0.00 60.65 57.96 3mgw h LYS 89 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.17 3mgw h LYS 89 CO 0.00 0.69 -0.59 0.20 -0.57 0.00 0.00 179.45 179.18 3mgw s GLY 90 N -4.20 1.90 -0.10 3.86 0.00 -0.79 -1.25 107.32 106.74 3mgw s GLY 90 Ca -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3mgw s GLY 90 CO 0.79 -0.36 -0.12 -0.12 0.00 0.00 0.00 173.10 173.28 3mgw s PHE 91 N -0.53 2.81 0.00 1.90 5.36 -0.35 -1.20 117.98 125.97 3mgw s PHE 91 Ca 0.10 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 3mgw s PHE 91 Cb -0.12 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 3mgw s PHE 91 CO 0.02 0.00 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 3mgw n GLY 92 N 2.97 -0.85 0.40 13.12 0.00 0.88 -1.62 105.19 120.09 3mgw n GLY 92 Ca -0.18 -1.68 0.22 0.00 0.00 0.00 0.00 46.02 44.38 3mgw n GLY 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mgw h LEU 93 N 0.00 0.47 -1.41 0.99 3.38 -1.64 -1.26 115.31 115.83 3mgw h LEU 93 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mgw h LEU 93 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3mgw h LEU 93 CO 0.00 0.10 -0.20 0.23 0.09 0.00 0.00 178.44 178.66 3mgw n MET 94 N -4.64 1.68 -3.54 1.13 2.81 -1.26 -3.98 117.12 109.33 3mgw n MET 94 Ca 0.25 -1.36 -0.21 0.00 -1.81 0.00 0.00 57.70 54.57 3mgw n MET 94 Cb 0.85 -1.40 0.05 0.00 -0.71 0.00 0.00 33.22 32.01 3mgw n MET 94 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3mgw n GLN 95 N 0.59 -3.70 -1.78 0.03 1.13 -0.48 -4.94 117.38 108.23 3mgw n GLN 95 Ca 0.10 0.68 -0.42 0.00 -1.94 0.00 0.00 57.00 55.43 3mgw n GLN 95 Cb 0.48 -5.23 -0.03 0.00 0.11 0.00 0.00 30.24 25.57 3mgw n GLN 95 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3mgw s VAL 96 N -3.51 2.42 -0.57 5.09 1.01 -0.64 -4.48 120.40 119.72 3mgw s VAL 96 Ca 0.22 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 3mgw s VAL 96 Cb -0.05 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3mgw s VAL 96 CO 0.79 0.01 1.39 -0.62 0.00 0.00 0.00 175.10 176.67 3mgw s ASP 97 N 1.82 6.16 0.49 3.32 -1.08 -1.26 -1.21 116.67 124.91 3mgw s ASP 97 Ca 0.76 0.25 0.16 0.00 -0.52 0.00 0.00 52.55 53.19 3mgw s ASP 97 Cb -0.46 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 39.63 3mgw s ASP 97 CO 0.33 -1.69 2.07 0.50 0.52 0.00 0.00 175.17 176.90 3mgw h LYS 98 N 10.87 0.17 -0.04 4.34 3.64 -1.43 -1.40 116.57 132.72 3mgw h LYS 98 Ca -0.27 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3mgw h LYS 98 Cb 1.09 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3mgw h LYS 98 CO 1.18 0.11 0.14 0.00 -2.27 0.00 0.00 179.45 178.61 3mgw h ARG 99 N 0.17 0.00 0.00 1.90 3.08 -1.90 -3.16 114.38 114.48 3mgw h ARG 99 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3mgw h ARG 99 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3mgw h ARG 99 CO -0.02 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.54 3mgw n TYR 100 N -3.25 0.00 -3.83 3.04 4.02 -0.54 -5.03 117.16 111.56 3mgw n TYR 100 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 3mgw n TYR 100 Cb 0.21 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.41 3mgw n TYR 100 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3mgw s HIS 101 N -0.32 -0.11 -0.20 -0.72 3.76 -1.14 -5.08 115.29 111.47 3mgw s HIS 101 Ca 0.00 0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 3mgw s HIS 101 Cb 0.00 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 3mgw s HIS 101 CO 0.00 -0.11 1.30 0.21 -0.85 0.00 0.00 174.74 175.29 3mgw s LYS 102 N -0.18 4.12 0.15 1.40 2.20 -1.26 -4.60 119.74 121.57 3mgw s LYS 102 Ca -0.03 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.84 3mgw s LYS 102 Cb -0.02 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 32.41 3mgw s LYS 102 CO 0.00 -0.86 1.26 0.42 -0.36 0.00 0.00 175.35 175.82 3mgw s ILE 103 N 3.84 3.55 0.04 5.43 -1.09 -1.26 -5.04 121.20 126.68 3mgw s ILE 103 Ca 0.56 1.21 0.09 0.00 -2.23 0.00 0.00 60.65 60.28 3mgw s ILE 103 Cb -0.21 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3mgw s ILE 103 CO 0.18 0.15 -0.25 0.68 -1.23 0.00 0.00 174.94 174.47 3mgw s VAL 104 N 0.46 2.03 0.00 2.92 -7.23 -1.26 -5.09 120.40 112.22 3mgw s VAL 104 Ca 0.57 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 3mgw s VAL 104 Cb -0.33 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 34.87 3mgw s VAL 104 CO 0.34 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 3mgw n GLY 105 N 1.81 -0.96 3.76 2.32 0.00 -1.26 -3.66 105.19 107.20 3mgw n GLY 105 Ca -0.17 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3mgw n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgw s ALA 106 N -2.29 1.89 0.51 4.61 0.00 -1.26 -4.82 121.76 120.41 3mgw s ALA 106 Ca 0.00 -0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.05 3mgw s ALA 106 Cb 0.00 -3.15 1.44 0.00 0.00 0.00 0.00 23.12 21.41 3mgw s ALA 106 CO 0.00 -2.05 2.14 0.11 0.00 0.00 0.00 175.76 175.96 3mgw h TRP 107 N -1.32 0.00 -0.28 0.00 5.08 -1.93 -1.90 115.95 115.59 3mgw h TRP 107 Ca -0.48 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.42 3mgw h TRP 107 Cb 1.28 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.40 3mgw h TRP 107 CO 0.44 0.06 -0.01 -0.40 -1.28 0.00 0.00 178.44 177.25 3mgw n ASP 108 N -4.11 3.31 -4.93 0.11 5.68 -1.26 -1.74 116.55 113.61 3mgw n ASP 108 Ca -0.03 -3.28 -0.25 0.00 -0.50 0.00 0.00 54.79 50.73 3mgw n ASP 108 Cb 0.14 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.54 3mgw n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3mgw s SER 109 N -2.19 6.26 0.23 -1.12 1.04 -0.71 -4.99 113.70 112.22 3mgw s SER 109 Ca 0.43 0.56 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 3mgw s SER 109 Cb 0.36 -2.06 0.24 0.00 0.10 0.00 0.00 66.02 64.66 3mgw s SER 109 CO 0.05 -0.38 1.87 -0.08 0.98 0.00 0.00 173.24 175.68 3mgw h GLU 110 N 0.60 1.00 -0.78 4.02 4.81 -1.95 -1.10 114.58 121.19 3mgw h GLU 110 Ca -0.49 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3mgw h GLU 110 Cb 1.22 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 3mgw h GLU 110 CO 0.61 0.66 0.47 0.87 -0.73 0.00 0.00 179.01 180.89 3mgw h LYS 111 N 1.03 1.06 -0.08 1.92 1.57 -1.91 0.11 116.57 120.27 3mgw h LYS 111 Ca 0.33 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3mgw h LYS 111 Cb 0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3mgw h LYS 111 CO -0.11 0.75 0.02 1.25 -0.57 0.00 0.00 179.45 180.79 3mgw h HIS 112 N 1.07 0.14 -0.92 -1.35 2.76 -1.56 -1.05 115.15 114.24 3mgw h HIS 112 Ca 0.28 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 3mgw h HIS 112 Cb -0.04 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 3mgw h HIS 112 CO -0.01 0.30 0.60 0.82 -1.30 0.00 0.00 177.93 178.35 3mgw h ILE 113 N -0.06 1.18 -0.63 6.26 2.04 -0.78 -0.94 117.51 124.59 3mgw h ILE 113 Ca 0.03 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3mgw h ILE 113 Cb 0.23 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3mgw h ILE 113 CO -0.00 0.22 0.26 -1.28 0.00 0.00 0.00 178.15 177.35 3mgw h SER 114 N 1.18 0.85 -0.15 1.72 0.87 -0.74 -0.99 113.55 116.30 3mgw h SER 114 Ca 0.35 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3mgw h SER 114 Cb -0.04 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3mgw h SER 114 CO -0.10 0.78 0.09 -0.61 -0.53 0.00 0.00 176.83 176.46 3mgw h GLN 115 N 0.87 0.20 -0.31 2.24 4.15 -0.24 0.19 115.11 122.21 3mgw h GLN 115 Ca 0.21 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3mgw h GLN 115 Cb 0.18 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3mgw h GLN 115 CO -0.02 0.19 0.19 0.78 -1.93 0.00 0.00 178.83 178.04 3mgw h GLY 116 N 0.16 0.45 0.59 2.39 0.00 -1.14 -1.81 103.07 103.71 3mgw h GLY 116 Ca 0.05 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.26 3mgw h GLY 116 CO -0.01 0.18 0.15 -0.84 0.00 0.00 0.00 176.54 176.02 3mgw h THR 117 N 0.40 0.85 -0.74 4.70 2.02 -1.09 -0.87 112.91 118.18 3mgw h THR 117 Ca 0.11 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3mgw h THR 117 Cb 0.01 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3mgw h THR 117 CO -0.02 0.06 0.47 -0.33 0.37 0.00 0.00 175.52 176.07 3mgw h GLU 118 N 0.31 0.91 -0.52 6.66 5.08 -0.70 -0.94 114.58 125.37 3mgw h GLU 118 Ca 0.21 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3mgw h GLU 118 Cb 0.21 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3mgw h GLU 118 CO -0.22 0.60 0.26 0.82 -1.00 0.00 0.00 179.01 179.47 3mgw h ILE 119 N 0.93 1.19 -0.57 3.13 2.04 -1.04 -1.76 117.51 121.43 3mgw h ILE 119 Ca 0.29 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3mgw h ILE 119 Cb -0.01 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3mgw h ILE 119 CO -0.10 0.21 0.34 0.25 0.00 0.00 0.00 178.15 178.86 3mgw h LEU 120 N 0.69 0.55 -1.07 1.44 5.85 -0.71 -2.09 115.31 119.97 3mgw h LEU 120 Ca 0.18 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3mgw h LEU 120 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3mgw h LEU 120 CO -0.02 0.39 -0.18 0.40 -0.34 0.00 0.00 178.44 178.69 3mgw h ILE 121 N 0.68 1.24 -0.53 4.05 2.04 -0.92 -0.03 117.51 124.04 3mgw h ILE 121 Ca 0.23 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3mgw h ILE 121 Cb 0.03 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3mgw h ILE 121 CO -0.11 0.35 0.17 -0.08 0.00 0.00 0.00 178.15 178.48 3mgw h GLU 122 N 0.41 0.83 -0.57 2.37 4.57 -1.03 0.14 114.58 121.30 3mgw h GLU 122 Ca 0.07 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3mgw h GLU 122 Cb 0.55 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3mgw h GLU 122 CO 0.04 0.76 0.36 0.74 -1.18 0.00 0.00 179.01 179.73 3mgw h PHE 123 N 0.74 0.68 -0.50 0.92 0.04 -0.86 -1.39 116.94 116.56 3mgw h PHE 123 Ca 0.17 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.99 3mgw h PHE 123 Cb 0.28 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3mgw h PHE 123 CO 0.02 0.41 0.29 0.82 -0.60 0.00 0.00 178.31 179.25 3mgw h ILE 124 N 0.73 1.03 -0.64 -0.55 2.04 -0.70 -1.33 117.51 118.09 3mgw h ILE 124 Ca 0.22 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 66.01 3mgw h ILE 124 Cb -0.02 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.37 3mgw h ILE 124 CO -0.08 0.11 0.14 0.03 0.00 0.00 0.00 178.15 178.35 3mgw h ARG 125 N 0.58 0.26 -0.73 2.37 3.08 -0.66 0.30 114.38 119.59 3mgw h ARG 125 Ca 0.21 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3mgw h ARG 125 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3mgw h ARG 125 CO -0.10 0.17 0.21 0.00 -1.07 0.00 0.00 179.97 179.18 3mgw h ARG 126 N 0.27 1.14 -0.30 0.04 3.08 -0.74 -1.61 114.38 116.26 3mgw h ARG 126 Ca 0.34 -0.25 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 3mgw h ARG 126 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3mgw h ARG 126 CO -0.43 0.98 -0.43 0.82 -1.07 0.00 0.00 179.97 179.84 3mgw h ILE 127 N 1.09 1.29 -0.89 2.04 1.08 -0.73 -0.19 117.51 121.19 3mgw h ILE 127 Ca 0.23 -1.62 0.03 0.00 -0.39 0.00 0.00 64.86 63.11 3mgw h ILE 127 Cb 0.33 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 3mgw h ILE 127 CO -0.00 0.52 0.58 1.56 -0.69 0.00 0.00 178.15 180.12 3mgw h GLN 128 N 0.62 1.11 -0.39 2.37 4.20 -0.74 0.13 115.11 122.41 3mgw h GLN 128 Ca 0.04 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3mgw h GLN 128 Cb 0.99 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3mgw h GLN 128 CO 0.09 0.73 -0.35 0.00 -0.67 0.00 0.00 178.83 178.64 3mgw h ALA 129 N 1.35 0.57 -0.40 3.87 0.00 -1.06 -2.92 119.26 120.67 3mgw h ALA 129 Ca 0.35 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3mgw h ALA 129 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3mgw h ALA 129 CO -0.10 0.65 0.11 -0.22 0.00 0.00 0.00 179.25 179.68 3mgw h LYS 130 N 0.75 0.63 -2.29 0.00 3.64 -0.57 -3.35 116.57 115.37 3mgw h LYS 130 Ca 0.07 -0.15 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 3mgw h LYS 130 Cb 0.94 -0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 32.26 3mgw h LYS 130 CO 0.09 0.65 -0.71 1.19 -2.27 0.00 0.00 179.45 178.39 3mgw n PHE 131 N -4.58 2.56 0.32 1.91 3.72 0.41 -4.95 117.46 116.86 3mgw n PHE 131 Ca -0.00 -4.02 0.13 0.00 -0.05 0.00 0.00 57.45 53.51 3mgw n PHE 131 Cb 0.19 -0.49 0.59 0.00 -0.94 0.00 0.00 39.48 38.84 3mgw n PHE 131 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mgw h PRO 132 N 4.39 0.00 -0.00 -1.08 0.13 -1.65 -2.33 132.00 131.46 3mgw h PRO 132 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3mgw h PRO 132 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3mgw h PRO 132 CO 0.72 0.00 -0.74 0.28 -0.23 0.00 0.00 178.00 178.03 3mgw n VAL 133 N -2.43 0.00 -1.99 1.56 0.31 -1.26 -4.92 118.33 109.60 3mgw n VAL 133 Ca 0.01 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 3mgw n VAL 133 Cb 0.19 0.69 0.01 0.00 -0.91 0.00 0.00 33.84 33.82 3mgw n VAL 133 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3mgw s TRP 134 N -2.95 2.65 0.73 3.52 0.52 -0.88 -4.98 118.94 117.56 3mgw s TRP 134 Ca 0.10 1.40 -0.16 0.00 0.02 0.00 0.00 56.10 57.47 3mgw s TRP 134 Cb 0.17 -3.68 0.04 0.00 -1.15 0.00 0.00 33.47 28.84 3mgw s TRP 134 CO 0.77 -2.29 1.25 -1.25 0.02 0.00 0.00 176.95 175.45 3mgw s PRO 135 N -2.51 2.07 0.29 4.98 0.04 -1.26 -4.75 135.00 133.86 3mgw s PRO 135 Ca 0.62 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.59 3mgw s PRO 135 Cb -0.38 -1.81 0.59 0.00 0.04 0.00 0.00 34.50 32.94 3mgw s PRO 135 CO 0.47 -1.92 1.83 -0.22 0.04 0.00 0.00 177.00 177.20 3mgw h LYS 136 N -0.21 0.93 -0.38 4.56 3.64 -1.98 -0.73 116.57 122.40 3mgw h LYS 136 Ca -0.48 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3mgw h LYS 136 Cb 1.32 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3mgw h LYS 136 CO 0.49 0.62 0.26 0.93 -2.27 0.00 0.00 179.45 179.48 3mgw h GLU 137 N 0.96 0.44 0.20 1.90 3.07 -1.95 -0.81 114.58 118.38 3mgw h GLU 137 Ca 0.50 -0.03 -0.31 0.00 -0.50 0.00 0.00 59.36 59.03 3mgw h GLU 137 Cb 0.54 -0.10 0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3mgw h GLU 137 CO -0.27 0.29 -1.37 0.45 -1.40 0.00 0.00 179.01 176.70 3mgw h HIS 138 N 0.45 0.81 -0.49 4.33 3.86 -1.51 -2.33 115.15 120.27 3mgw h HIS 138 Ca 0.15 -0.58 -0.09 0.00 -1.16 0.00 0.00 60.37 58.69 3mgw h HIS 138 Cb 0.05 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3mgw h HIS 138 CO -0.00 1.45 -0.05 1.96 0.86 0.00 0.00 177.93 182.15 3mgw h GLN 139 N 0.13 0.86 0.05 2.45 4.20 -1.02 -0.46 115.11 121.32 3mgw h GLN 139 Ca -0.21 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.25 3mgw h GLN 139 Cb 2.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.75 3mgw h GLN 139 CO 0.25 0.89 -0.14 1.25 -0.67 0.00 0.00 178.83 180.41 3mgw h LEU 140 N 0.79 -0.38 -0.82 1.46 5.85 -1.16 0.06 115.31 121.10 3mgw h LEU 140 Ca 0.14 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3mgw h LEU 140 Cb 0.54 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3mgw h LEU 140 CO 0.03 -0.20 0.54 0.50 -0.34 0.00 0.00 178.44 178.97 3mgw h LYS 141 N -0.26 1.03 -0.47 1.25 3.64 -1.14 -1.46 116.57 119.16 3mgw h LYS 141 Ca 0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3mgw h LYS 141 Cb 0.29 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3mgw h LYS 141 CO -0.10 0.68 0.03 0.78 -2.27 0.00 0.00 179.45 178.58 3mgw h GLY 142 N 1.06 0.81 1.41 5.01 0.00 -0.90 -1.27 103.07 109.20 3mgw h GLY 142 Ca 0.32 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3mgw h GLY 142 CO -0.09 0.48 -0.27 -1.33 0.00 0.00 0.00 176.54 175.32 3mgw h GLY 143 N 0.95 0.73 0.96 4.60 0.00 -0.21 -0.70 103.07 109.40 3mgw h GLY 143 Ca 0.15 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3mgw h GLY 143 CO 0.01 0.58 0.04 -2.22 0.00 0.00 0.00 176.54 174.95 3mgw h ILE 144 N 0.58 1.25 -0.66 2.60 2.04 -0.72 -0.95 117.51 121.65 3mgw h ILE 144 Ca 0.08 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3mgw h ILE 144 Cb 0.76 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3mgw h ILE 144 CO 0.06 0.33 0.38 -1.28 0.00 0.00 0.00 178.15 177.64 3mgw h SER 145 N 0.58 0.59 0.23 1.72 0.87 -0.86 -2.36 113.55 114.32 3mgw h SER 145 Ca 0.13 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3mgw h SER 145 Cb 0.43 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3mgw h SER 145 CO 0.01 0.40 -0.24 0.00 -0.53 0.00 0.00 176.83 176.47 3mgw h ALA 146 N 1.32 1.59 -0.55 6.23 0.00 -0.77 -1.43 119.26 125.64 3mgw h ALA 146 Ca 0.28 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3mgw h ALA 146 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3mgw h ALA 146 CO -0.15 0.31 0.37 -0.92 0.00 0.00 0.00 179.25 178.86 3mgw h TYR 147 N 0.01 0.49 0.07 0.00 3.20 -0.62 0.26 116.97 120.38 3mgw h TYR 147 Ca 0.00 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 3mgw h TYR 147 Cb 0.43 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3mgw h TYR 147 CO 0.00 0.26 -0.89 -0.97 -1.64 0.00 0.00 178.16 174.93 3mgw h ASN 148 N 0.49 0.23 0.00 -2.11 -0.73 -1.30 -3.43 115.58 108.73 3mgw h ASN 148 Ca 0.24 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.56 3mgw h ASN 148 Cb 0.33 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.84 3mgw h ASN 148 CO -0.07 1.39 0.00 0.00 -0.37 0.00 0.00 177.43 178.38 3mgw n ALA 149 N -2.89 1.98 0.00 1.57 0.00 -0.74 -4.91 120.51 115.52 3mgw n ALA 149 Ca -0.20 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3mgw n ALA 149 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3mgw n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgw n GLY 150 N -0.13 1.16 0.20 0.00 0.00 0.88 -4.49 105.19 102.81 3mgw n GLY 150 Ca 0.00 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.40 3mgw n GLY 150 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3mgw h ASP 151 N 0.00 0.00 -0.20 1.61 2.03 -1.93 -3.14 116.42 114.78 3mgw h ASP 151 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 3mgw h ASP 151 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3mgw h ASP 151 CO 0.00 0.27 0.08 0.11 -1.03 0.00 0.00 179.24 178.67 3mgw h LYS 152 N 0.00 0.37 0.00 4.15 1.57 -1.97 -1.49 116.57 119.20 3mgw h LYS 152 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3mgw h LYS 152 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3mgw h LYS 152 CO 0.03 0.34 0.00 -0.97 -0.57 0.00 0.00 179.45 178.28 3mgw h ASN 153 N 0.37 0.00 -3.34 0.86 -1.24 -1.77 -3.41 115.58 107.05 3mgw h ASN 153 Ca 0.09 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 56.42 3mgw h ASN 153 Cb 0.13 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.00 3mgw h ASN 153 CO -0.01 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.49 3mgw s VAL 154 N -3.33 4.88 0.00 2.57 1.01 -0.56 -4.87 120.40 120.09 3mgw s VAL 154 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3mgw s VAL 154 Cb 0.09 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3mgw s VAL 154 CO 0.41 -0.73 0.00 0.54 0.00 0.00 0.00 175.10 175.32 3mgw n ARG 155 N 6.16 0.00 -1.72 2.72 1.74 -1.26 -5.03 116.66 119.27 3mgw n ARG 155 Ca -0.05 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 3mgw n ARG 155 Cb 0.46 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.88 3mgw n ARG 155 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3mgw n THR 156 N 0.00 0.46 -0.23 0.55 -1.04 -1.26 -4.83 114.28 107.93 3mgw n THR 156 Ca 0.00 -0.12 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 3mgw n THR 156 Cb 0.00 -1.92 0.14 0.00 -1.82 0.00 0.00 70.33 66.73 3mgw n THR 156 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3mgw h TYR 157 N 5.78 0.05 0.00 -1.42 3.20 -2.00 -2.00 116.97 120.57 3mgw h TYR 157 Ca -0.45 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3mgw h TYR 157 Cb 1.22 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3mgw h TYR 157 CO 0.61 -0.17 0.00 0.39 -1.64 0.00 0.00 178.16 177.35 3mgw n GLU 158 N -5.27 0.11 -0.08 1.82 4.71 -1.26 -2.83 120.64 117.84 3mgw n GLU 158 Ca 0.12 0.34 0.06 0.00 -0.01 0.00 0.00 57.16 57.68 3mgw n GLU 158 Cb 0.43 -1.71 0.09 0.00 -1.01 0.00 0.00 31.44 29.23 3mgw n GLU 158 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3mgw n ARG 159 N -1.92 1.58 0.31 3.49 1.74 -0.79 -4.82 116.66 116.24 3mgw n ARG 159 Ca 0.03 -2.12 0.19 0.00 -0.77 0.00 0.00 57.85 55.18 3mgw n ARG 159 Cb 0.21 -1.26 0.99 0.00 -1.02 0.00 0.00 32.46 31.38 3mgw n ARG 159 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mgw h MET 160 N 0.00 0.00 -0.00 5.56 -0.00 -1.30 -1.05 114.93 118.14 3mgw h MET 160 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3mgw h MET 160 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 3mgw h MET 160 CO 0.00 0.02 -0.27 -0.25 -0.00 0.00 0.00 176.91 176.41 3mgw n ASP 161 N -3.30 0.59 -4.69 -0.10 8.00 -1.26 -4.75 116.55 111.03 3mgw n ASP 161 Ca -0.02 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 3mgw n ASP 161 Cb 0.14 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3mgw n ASP 161 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mgw s VAL 162 N -2.72 2.82 0.00 2.53 1.01 -0.40 -1.66 120.40 121.98 3mgw s VAL 162 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3mgw s VAL 162 Cb 0.19 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3mgw s VAL 162 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3mgw n GLY 163 N 4.05 0.82 3.92 4.51 0.00 -1.26 -5.00 105.19 112.24 3mgw n GLY 163 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3mgw n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgw s THR 164 N -2.71 4.59 0.09 2.61 -4.23 -0.67 -4.90 115.64 110.42 3mgw s THR 164 Ca 0.00 -0.08 -0.35 0.00 -1.18 0.00 0.00 61.69 60.08 3mgw s THR 164 Cb 0.00 -3.73 -0.15 0.00 1.34 0.00 0.00 72.50 69.96 3mgw s THR 164 CO 0.00 -0.65 1.54 0.41 -0.54 0.00 0.00 174.62 175.39 3mgw n THR 165 N -2.19 0.08 -0.02 3.99 -1.04 -1.26 -0.70 114.28 113.13 3mgw n THR 165 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3mgw n THR 165 Cb 0.56 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 3mgw n THR 165 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mgw n GLY 166 N 3.28 2.83 2.45 3.41 0.00 -1.26 -3.49 105.19 112.42 3mgw n GLY 166 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3mgw n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgw n GLY 167 N -2.00 1.31 0.38 -0.02 0.00 0.12 -4.59 105.19 100.39 3mgw n GLY 167 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3mgw n GLY 167 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgw n ASP 168 N -0.76 0.00 0.29 1.61 5.75 -1.23 -4.50 116.55 117.71 3mgw n ASP 168 Ca -0.17 -1.29 -0.17 0.00 -0.01 0.00 0.00 54.79 53.15 3mgw n ASP 168 Cb 0.56 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 3mgw n ASP 168 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3mgw h TYR 169 N 0.00 -0.91 -0.31 2.11 5.03 -1.82 0.33 116.97 121.40 3mgw h TYR 169 Ca 0.00 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.18 3mgw h TYR 169 Cb 1.12 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 3mgw h TYR 169 CO -0.11 -0.51 -0.34 0.66 -1.32 0.00 0.00 178.16 176.54 3mgw h SER 170 N -0.81 0.71 -0.05 -2.11 4.64 -1.88 -0.89 113.55 113.15 3mgw h SER 170 Ca -0.05 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3mgw h SER 170 Cb 0.68 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3mgw h SER 170 CO 0.03 0.99 -0.02 0.78 -0.87 0.00 0.00 176.83 177.73 3mgw h ASN 171 N 0.57 -0.07 0.35 4.97 2.35 -1.76 -0.13 115.58 121.85 3mgw h ASN 171 Ca 0.06 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3mgw h ASN 171 Cb 0.85 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3mgw h ASN 171 CO 0.07 -0.03 -0.24 -0.78 -1.65 0.00 0.00 177.43 174.80 3mgw h ASP 172 N -0.02 -0.61 -0.51 5.81 3.58 -0.87 -1.48 116.42 122.33 3mgw h ASP 172 Ca 0.03 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.62 3mgw h ASP 172 Cb 0.06 0.19 -0.09 0.00 1.72 0.00 0.00 39.33 41.20 3mgw h ASP 172 CO -0.06 -0.37 -0.10 0.58 -2.88 0.00 0.00 179.24 176.41 3mgw h VAL 173 N -0.57 0.52 -0.24 2.25 2.07 -1.06 -0.46 116.25 118.75 3mgw h VAL 173 Ca -0.03 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3mgw h VAL 173 Cb 0.49 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3mgw h VAL 173 CO 0.02 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.33 3mgw h VAL 174 N 0.03 1.11 -0.60 2.57 2.07 -0.93 0.13 116.25 120.63 3mgw h VAL 174 Ca 0.25 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3mgw h VAL 174 Cb 0.38 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3mgw h VAL 174 CO -0.50 0.10 0.33 0.00 0.02 0.00 0.00 177.57 177.53 3mgw h ALA 175 N 1.03 0.76 -0.83 1.67 0.00 -0.85 0.06 119.26 121.11 3mgw h ALA 175 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mgw h ALA 175 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3mgw h ALA 175 CO -0.01 0.28 0.48 0.00 0.00 0.00 0.00 179.25 179.99 3mgw h ARG 176 N 0.81 1.14 -0.75 0.00 3.08 -0.80 -1.79 114.38 116.07 3mgw h ARG 176 Ca 0.21 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3mgw h ARG 176 Cb 0.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3mgw h ARG 176 CO -0.03 0.82 0.49 0.77 -1.07 0.00 0.00 179.97 180.94 3mgw h SER 177 N 1.14 0.84 -0.53 7.04 0.02 -0.15 0.13 113.55 122.04 3mgw h SER 177 Ca 0.29 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3mgw h SER 177 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3mgw h SER 177 CO -0.05 0.61 0.13 1.56 -1.14 0.00 0.00 176.83 177.93 3mgw h GLN 178 N 1.00 0.85 -0.08 3.45 4.20 -0.74 0.38 115.11 124.16 3mgw h GLN 178 Ca 0.28 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3mgw h GLN 178 Cb -0.10 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 3mgw h GLN 178 CO -0.07 0.81 -0.07 2.35 -0.67 0.00 0.00 178.83 181.18 3mgw h TRP 179 N 0.75 -0.17 -0.62 2.96 7.01 -0.81 -1.71 115.95 123.37 3mgw h TRP 179 Ca 0.17 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 3mgw h TRP 179 Cb 0.34 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 3mgw h TRP 179 CO 0.02 -0.11 0.41 0.74 -2.79 0.00 0.00 178.44 176.71 3mgw h PHE 180 N -0.09 0.71 -0.84 2.65 0.04 -0.33 -1.13 116.94 117.95 3mgw h PHE 180 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3mgw h PHE 180 Cb 0.17 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3mgw h PHE 180 CO -0.18 0.42 0.47 -0.22 -0.60 0.00 0.00 178.31 178.21 3mgw h LYS 181 N 0.75 1.17 0.00 1.51 3.64 -0.59 -0.99 116.57 122.06 3mgw h LYS 181 Ca 0.24 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3mgw h LYS 181 Cb 0.05 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3mgw h LYS 181 CO -0.06 0.85 -0.14 0.66 -2.27 0.00 0.00 179.45 178.49 3mgw h SER 182 N 1.17 0.00 -0.53 4.20 4.64 -0.31 -2.17 113.55 120.55 3mgw h SER 182 Ca 0.30 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 3mgw h SER 182 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 3mgw h SER 182 CO -0.05 0.14 0.12 0.00 -0.87 0.00 0.00 176.83 176.18 3mgw n GLN 183 N -3.67 3.57 -0.61 4.77 1.13 -0.59 -4.92 117.38 117.05 3mgw n GLN 183 Ca -0.02 -2.45 0.00 0.00 -1.94 0.00 0.00 57.00 52.60 3mgw n GLN 183 Cb 0.26 -2.06 0.00 0.00 0.11 0.00 0.00 30.24 28.55 3mgw n GLN 183 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgw n GLY 184 N 0.18 0.66 0.26 1.08 0.00 -0.81 -5.03 105.19 101.53 3mgw n GLY 184 Ca 0.28 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.14 3mgw n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60