#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgw n SER 2 N 0.00 -0.85 -4.00 0.00 2.88 -1.26 -5.09 113.62 105.31 1mgw n SER 2 Ca 0.00 0.85 -0.11 0.00 -1.33 0.00 0.00 58.87 58.28 1mgw n SER 2 Cb 0.00 -1.14 -0.12 0.00 -0.75 0.00 0.00 64.21 62.20 1mgw n SER 2 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mgw s VAL 3 N -1.55 0.28 -0.19 2.46 1.01 -1.26 -5.07 120.40 116.08 1mgw s VAL 3 Ca 0.65 -0.82 0.16 0.00 0.00 0.00 0.00 61.98 61.97 1mgw s VAL 3 Cb -0.54 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 35.54 1mgw s VAL 3 CO 0.57 -0.35 1.39 0.11 0.00 0.00 0.00 175.10 176.82 1mgw h LYS 4 N 4.87 0.00 -2.97 2.72 1.79 -2.04 -3.47 116.57 117.47 1mgw h LYS 4 Ca -0.32 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.06 1mgw h LYS 4 Cb 1.21 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.68 1mgw h LYS 4 CO 0.43 0.41 -0.13 0.00 -1.08 0.00 0.00 179.45 179.07 1mgw s ALA 5 N -3.00 -0.99 0.43 3.86 0.00 -1.26 -5.15 121.76 115.66 1mgw s ALA 5 Ca 0.03 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 1mgw s ALA 5 Cb 0.07 0.25 -0.11 0.00 0.00 0.00 0.00 23.12 23.34 1mgw s ALA 5 CO 0.75 -0.40 0.96 0.08 0.00 0.00 0.00 175.76 177.14 1mgw s VAL 6 N -2.11 4.33 1.08 0.00 1.01 -1.26 -5.06 120.40 118.40 1mgw s VAL 6 Ca -0.08 1.48 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 1mgw s VAL 6 Cb -0.02 -3.61 0.24 0.00 0.00 0.00 0.00 36.38 33.00 1mgw s VAL 6 CO 0.00 -0.29 1.22 -0.83 0.00 0.00 0.00 175.10 175.20 1mgw s GLY 7 N -2.13 1.68 0.13 4.51 0.00 -1.26 -4.77 107.32 105.48 1mgw s GLY 7 Ca 0.62 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.33 1mgw s GLY 7 CO 0.14 -0.25 -0.15 0.50 0.00 0.00 0.00 173.10 173.34 1mgw s ARG 8 N -5.65 1.07 -0.04 2.90 1.81 -1.26 -0.22 118.95 117.56 1mgw s ARG 8 Ca 0.72 -1.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1mgw s ARG 8 Cb -0.07 -1.03 0.02 0.00 -0.45 0.00 0.00 34.95 33.43 1mgw s ARG 8 CO 0.54 0.21 -0.02 0.54 -0.68 0.00 0.00 175.30 175.89 1mgw s VAL 9 N -1.99 0.38 0.32 3.52 0.11 -0.58 -4.81 120.40 117.35 1mgw s VAL 9 Ca 0.09 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1mgw s VAL 9 Cb -0.06 -0.44 -0.11 0.00 -1.53 0.00 0.00 36.38 34.24 1mgw s VAL 9 CO 0.04 0.20 1.45 0.00 -3.33 0.00 0.00 175.10 173.46 1mgw h TYR 11 N 3.94 0.14 0.00 0.00 5.03 -0.86 0.11 116.97 125.33 1mgw h TYR 11 Ca -0.48 0.05 0.00 0.00 2.58 0.00 0.00 58.73 60.88 1mgw h TYR 11 Cb 1.23 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.57 1mgw h TYR 11 CO 0.56 -0.22 0.00 0.66 -1.32 0.00 0.00 178.16 177.85 1mgw h SER 12 N 0.16 0.00 0.10 -2.11 4.64 -1.52 -2.03 113.55 112.80 1mgw h SER 12 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1mgw h SER 12 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1mgw h SER 12 CO -0.66 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 174.94 1mgw n ALA 13 N -1.89 3.30 -1.55 5.18 0.00 0.38 -4.94 120.51 121.00 1mgw n ALA 13 Ca 0.00 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.58 1mgw n ALA 13 Cb 0.17 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.70 1mgw n ALA 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mgw s LEU 14 N -2.48 3.45 0.67 0.00 1.43 -0.77 -4.97 118.68 116.03 1mgw s LEU 14 Ca 0.22 2.09 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 1mgw s LEU 14 Cb 0.19 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.85 1mgw s LEU 14 CO 0.54 -1.63 1.17 -2.16 0.23 0.00 0.00 176.35 174.50 1mgw s PRO 15 N -3.90 2.58 0.45 1.29 0.04 -1.26 -4.88 135.00 129.32 1mgw s PRO 15 Ca 0.69 1.64 0.11 0.00 0.04 0.00 0.00 61.00 63.48 1mgw s PRO 15 Cb -0.22 -1.90 1.02 0.00 0.04 0.00 0.00 34.50 33.44 1mgw s PRO 15 CO 0.39 -1.47 2.09 0.66 0.04 0.00 0.00 177.00 178.71 1mgw h SER 16 N 0.12 0.29 0.10 6.66 4.64 -1.98 -0.15 113.55 123.23 1mgw h SER 16 Ca -0.48 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1mgw h SER 16 Cb 1.28 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1mgw h SER 16 CO 0.52 0.21 -0.11 1.56 -0.87 0.00 0.00 176.83 178.14 1mgw h GLN 17 N 0.34 0.03 -0.31 4.77 7.50 -1.90 -1.64 115.11 123.91 1mgw h GLN 17 Ca 0.09 -0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.11 1mgw h GLN 17 Cb -0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1mgw h GLN 17 CO -0.02 0.15 -0.34 0.00 -1.50 0.00 0.00 178.83 177.12 1mgw h ALA 18 N 1.86 0.82 -0.71 3.87 0.00 -1.34 -0.91 119.26 122.85 1mgw h ALA 18 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mgw h ALA 18 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mgw h ALA 18 CO 0.01 0.64 0.43 0.45 0.00 0.00 0.00 179.25 180.78 1mgw h HIS 19 N 0.58 0.94 -0.77 0.00 3.86 -1.27 -1.18 115.15 117.31 1mgw h HIS 19 Ca 0.06 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1mgw h HIS 19 Cb 0.86 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1mgw h HIS 19 CO 0.04 0.63 0.47 -0.44 0.86 0.00 0.00 177.93 179.50 1mgw h ASP 20 N 0.97 0.76 -0.37 2.45 3.32 -0.89 -0.82 116.42 121.83 1mgw h ASP 20 Ca 0.25 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1mgw h ASP 20 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1mgw h ASP 20 CO -0.05 0.51 0.20 0.74 -1.72 0.00 0.00 179.24 178.92 1mgw h THR 21 N 0.90 1.15 -0.84 0.35 2.02 -0.53 -0.38 112.91 115.57 1mgw h THR 21 Ca 0.32 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1mgw h THR 21 Cb 0.09 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1mgw h THR 21 CO -0.14 0.15 0.55 -0.07 0.37 0.00 0.00 175.52 176.38 1mgw h LEU 22 N 0.46 0.94 -0.63 2.58 3.38 -0.72 -0.56 115.31 120.75 1mgw h LEU 22 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1mgw h LEU 22 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1mgw h LEU 22 CO -0.02 0.67 0.31 0.44 0.09 0.00 0.00 178.44 179.93 1mgw h ASP 23 N 1.11 0.82 -0.61 -0.43 3.32 -0.66 -2.23 116.42 117.74 1mgw h ASP 23 Ca 0.32 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1mgw h ASP 23 Cb -0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1mgw h ASP 23 CO -0.08 0.71 0.34 -0.07 -1.72 0.00 0.00 179.24 178.42 1mgw h LEU 24 N 0.87 0.78 -0.26 1.55 3.38 -0.45 -0.62 115.31 120.56 1mgw h LEU 24 Ca 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1mgw h LEU 24 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1mgw h LEU 24 CO -0.03 0.63 0.11 0.40 0.09 0.00 0.00 178.44 179.64 1mgw h ILE 25 N 0.88 1.17 -0.89 1.22 2.04 -0.83 0.22 117.51 121.32 1mgw h ILE 25 Ca 0.22 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1mgw h ILE 25 Cb 0.03 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1mgw h ILE 25 CO -0.04 0.17 0.56 0.44 0.00 0.00 0.00 178.15 179.29 1mgw h ASP 26 N 0.28 0.91 0.21 1.72 3.32 -0.78 -2.23 116.42 119.85 1mgw h ASP 26 Ca 0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1mgw h ASP 26 Cb 0.17 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1mgw h ASP 26 CO -0.01 0.60 -0.14 -0.62 -1.72 0.00 0.00 179.24 177.35 1mgw n GLU 27 N -4.57 0.97 -1.44 3.56 -0.58 -0.30 -4.92 120.64 113.36 1mgw n GLU 27 Ca 0.12 -0.48 -0.03 0.00 -0.42 0.00 0.00 57.16 56.35 1mgw n GLU 27 Cb 0.15 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1mgw n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mgw n GLY 28 N 1.27 0.50 0.00 0.62 0.00 0.51 -4.83 105.19 103.25 1mgw n GLY 28 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1mgw n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mgw n GLY 29 N -2.02 -0.22 3.81 -0.02 0.00 0.31 -4.83 105.19 102.22 1mgw n GLY 29 Ca -0.04 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 1mgw n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mgw s PRO 30 N 0.00 4.21 -0.11 1.61 0.04 -1.26 -4.83 135.00 134.66 1mgw s PRO 30 Ca 0.00 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 1mgw s PRO 30 Cb 0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1mgw s PRO 30 CO 0.00 -0.06 0.07 -0.06 0.04 0.00 0.00 177.00 176.99 1mgw s PHE 31 N -2.04 3.36 -0.22 0.56 0.40 -1.26 -5.01 117.98 113.76 1mgw s PHE 31 Ca 0.61 0.32 0.25 0.00 -0.60 0.00 0.00 56.93 57.51 1mgw s PHE 31 Cb -0.12 -1.89 0.61 0.00 0.51 0.00 0.00 43.02 42.13 1mgw s PHE 31 CO 0.16 0.54 1.70 -1.00 0.70 0.00 0.00 175.22 177.33 1mgw h PRO 32 N 5.28 0.00 -5.72 0.24 0.13 -1.99 -3.45 132.00 126.49 1mgw h PRO 32 Ca -0.51 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.10 1mgw h PRO 32 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1mgw h PRO 32 CO 0.58 0.09 -0.82 0.71 -0.23 0.00 0.00 178.00 178.33 1mgw s TYR 33 N -3.33 1.53 0.46 1.56 2.02 -1.26 -5.04 117.35 113.29 1mgw s TYR 33 Ca 0.05 -0.36 0.13 0.00 -0.37 0.00 0.00 57.07 56.52 1mgw s TYR 33 Cb 0.07 -0.92 1.07 0.00 -0.40 0.00 0.00 41.96 41.78 1mgw s TYR 33 CO 0.65 0.06 2.06 0.66 -1.57 0.00 0.00 175.55 177.40 1mgw h SER 34 N 4.95 0.27 0.07 2.29 4.64 -2.05 -1.43 113.55 122.29 1mgw h SER 34 Ca -0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1mgw h SER 34 Cb 1.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1mgw h SER 34 CO 0.44 0.18 -0.02 0.00 -0.87 0.00 0.00 176.83 176.57 1mgw n GLN 35 N -4.48 1.13 -1.82 4.77 6.02 -1.26 -4.87 117.38 116.87 1mgw n GLN 35 Ca 0.04 -0.33 -0.42 0.00 -0.01 0.00 0.00 57.00 56.28 1mgw n GLN 35 Cb 0.20 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1mgw n GLN 35 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mgw s ASP 36 N -2.09 6.50 0.00 1.08 -0.00 -0.54 -1.92 116.67 119.69 1mgw s ASP 36 Ca 0.41 2.67 0.00 0.00 -0.00 0.00 0.00 52.55 55.64 1mgw s ASP 36 Cb 0.21 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.56 1mgw s ASP 36 CO 0.38 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 175.23 1mgw n GLY 37 N 4.03 0.05 3.74 0.21 0.00 0.76 -5.01 105.19 108.98 1mgw n GLY 37 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1mgw n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mgw s VAL 38 N -2.00 2.93 0.29 1.61 -7.23 -0.81 -4.64 120.40 110.55 1mgw s VAL 38 Ca 0.00 0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 1mgw s VAL 38 Cb 0.00 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.13 1mgw s VAL 38 CO 0.00 -0.37 1.42 -0.69 -0.31 0.00 0.00 175.10 175.15 1mgw s VAL 39 N -2.72 2.56 -0.21 1.32 1.01 -1.26 -1.39 120.40 119.70 1mgw s VAL 39 Ca 0.64 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 1mgw s VAL 39 Cb -0.20 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1mgw s VAL 39 CO 0.54 0.10 0.07 0.12 0.00 0.00 0.00 175.10 175.92 1mgw s PHE 40 N -0.45 3.16 -0.81 5.22 2.19 0.48 -4.79 117.98 122.99 1mgw s PHE 40 Ca 0.56 -0.15 0.26 0.00 0.33 0.00 0.00 56.93 57.93 1mgw s PHE 40 Cb -0.42 -2.15 0.75 0.00 -1.31 0.00 0.00 43.02 39.88 1mgw s PHE 40 CO 0.49 -0.09 1.64 1.04 1.83 0.00 0.00 175.22 180.13 1mgw n GLN 41 N 4.20 0.17 -3.82 10.12 1.13 -1.26 -4.42 117.38 123.50 1mgw n GLN 41 Ca -0.16 0.10 -0.27 0.00 -1.94 0.00 0.00 57.00 54.73 1mgw n GLN 41 Cb 0.52 -1.66 0.03 0.00 0.11 0.00 0.00 30.24 29.24 1mgw n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1mgw n ASN 42 N -1.94 -4.03 0.21 1.08 5.15 -1.26 -4.85 115.26 109.62 1mgw n ASN 42 Ca 0.05 -0.76 0.05 0.00 -0.60 0.00 0.00 54.58 53.32 1mgw n ASN 42 Cb 0.40 -4.07 0.45 0.00 -0.53 0.00 0.00 39.78 36.02 1mgw n ASN 42 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1mgw h ARG 43 N -2.10 0.00 -0.00 1.20 3.08 -1.99 -2.20 114.38 112.36 1mgw h ARG 43 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1mgw h ARG 43 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1mgw h ARG 43 CO 0.63 0.28 -0.05 0.39 -1.07 0.00 0.00 179.97 180.15 1mgw n GLU 44 N -4.09 0.52 -2.20 0.04 1.02 -1.26 -4.93 120.64 109.74 1mgw n GLU 44 Ca -0.02 -0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 56.92 1mgw n GLU 44 Cb 0.34 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 1mgw n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mgw n GLY 45 N 1.28 -0.07 0.14 0.62 0.00 -0.83 -4.91 105.19 101.42 1mgw n GLY 45 Ca 0.14 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1mgw n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mgw h LEU 46 N 0.00 0.00 -9.74 0.99 3.38 -1.92 -3.45 115.31 104.57 1mgw h LEU 46 Ca -0.27 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.17 1mgw h LEU 46 Cb 1.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1mgw h LEU 46 CO 0.31 0.51 -0.58 -0.76 0.09 0.00 0.00 178.44 178.02 1mgw s LEU 47 N -6.51 3.56 0.25 1.67 1.43 -1.26 -4.90 118.68 112.92 1mgw s LEU 47 Ca 0.04 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1mgw s LEU 47 Cb 0.08 -2.10 -0.14 0.00 0.03 0.00 0.00 46.19 44.05 1mgw s LEU 47 CO 0.74 -0.01 1.14 -2.65 0.23 0.00 0.00 176.35 175.81 1mgw n PRO 48 N -0.93 1.45 -2.10 1.29 -0.02 -1.26 -4.86 135.00 128.58 1mgw n PRO 48 Ca -0.08 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1mgw n PRO 48 Cb 0.58 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 1mgw n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mgw s ALA 49 N -0.62 3.63 0.24 3.55 0.00 -1.26 -5.00 121.76 122.30 1mgw s ALA 49 Ca 0.65 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 1mgw s ALA 49 Cb -0.73 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 1mgw s ALA 49 CO 0.56 -0.84 0.31 -1.01 0.00 0.00 0.00 175.76 174.78 1mgw s HIS 50 N 1.87 0.86 0.67 0.00 3.76 -1.26 -5.15 115.29 116.03 1mgw s HIS 50 Ca 0.67 -1.13 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1mgw s HIS 50 Cb -0.37 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.11 1mgw s HIS 50 CO 0.30 -0.84 1.14 -1.12 -0.85 0.00 0.00 174.74 173.36 1mgw s SER 51 N -3.12 4.91 0.09 1.40 0.01 -1.26 -4.90 113.70 110.83 1mgw s SER 51 Ca 0.32 2.11 -0.33 0.00 1.31 0.00 0.00 55.95 59.36 1mgw s SER 51 Cb 0.03 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1mgw s SER 51 CO 0.12 -1.77 1.72 0.41 0.41 0.00 0.00 173.24 174.14 1mgw n THR 52 N -2.40 0.23 0.00 1.44 -1.04 -1.26 -1.51 114.28 109.73 1mgw n THR 52 Ca 0.11 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1mgw n THR 52 Cb 0.51 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1mgw n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mgw n GLY 53 N 3.89 0.62 0.28 3.41 0.00 -1.26 -4.96 105.19 107.16 1mgw n GLY 53 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1mgw n GLY 53 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1mgw h TYR 54 N 0.00 1.11 -3.51 1.61 3.20 -1.61 -3.45 116.97 114.33 1mgw h TYR 54 Ca 0.00 -0.27 -0.67 0.00 3.14 0.00 0.00 58.73 60.93 1mgw h TYR 54 Cb 0.00 -0.26 -0.16 0.00 1.54 0.00 0.00 36.73 37.86 1mgw h TYR 54 CO 0.00 1.09 -0.68 0.71 -1.64 0.00 0.00 178.16 177.64 1mgw s TYR 55 N -4.65 2.96 0.14 -3.82 1.51 -1.26 -3.66 117.35 108.58 1mgw s TYR 55 Ca -0.11 0.00 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 1mgw s TYR 55 Cb 0.12 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1mgw s TYR 55 CO 0.87 0.41 -0.13 -1.01 -1.11 0.00 0.00 175.55 174.58 1mgw s HIS 56 N -1.05 1.41 0.10 2.71 3.76 -0.82 -0.39 115.29 121.02 1mgw s HIS 56 Ca 0.18 -0.62 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1mgw s HIS 56 Cb -0.11 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 1mgw s HIS 56 CO 0.09 0.17 -0.23 -1.83 -0.85 0.00 0.00 174.74 172.09 1mgw s GLU 57 N -3.17 1.24 -0.05 1.40 -1.05 -0.49 -0.85 118.70 115.74 1mgw s GLU 57 Ca 0.14 -1.19 -0.03 0.00 -0.15 0.00 0.00 54.97 53.73 1mgw s GLU 57 Cb -0.02 -1.56 0.02 0.00 -0.44 0.00 0.00 34.13 32.13 1mgw s GLU 57 CO 0.03 0.37 0.11 0.71 0.95 0.00 0.00 175.26 177.43 1mgw s TYR 58 N -1.09 -0.12 0.38 4.83 2.02 0.04 -0.17 117.35 123.24 1mgw s TYR 58 Ca 0.09 0.33 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 1mgw s TYR 58 Cb -0.10 -0.00 -0.11 0.00 -0.40 0.00 0.00 41.96 41.35 1mgw s TYR 58 CO 0.04 -0.09 1.50 0.99 -1.57 0.00 0.00 175.55 176.43 1mgw s THR 59 N 0.38 2.00 -0.28 -0.71 2.01 -1.26 -0.85 115.64 116.94 1mgw s THR 59 Ca -0.03 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1mgw s THR 59 Cb -0.04 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.49 1mgw s THR 59 CO -0.02 0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.24 1mgw s VAL 60 N -1.12 3.41 0.25 3.82 1.01 -0.43 -4.73 120.40 122.62 1mgw s VAL 60 Ca 0.53 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1mgw s VAL 60 Cb -0.47 -2.77 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 1mgw s VAL 60 CO 0.64 0.10 1.61 -0.38 0.00 0.00 0.00 175.10 177.07 1mgw n ILE 61 N 4.76 0.63 -3.30 2.22 5.41 -1.26 -4.26 119.36 123.56 1mgw n ILE 61 Ca -0.15 -0.16 -0.40 0.00 1.00 0.00 0.00 62.75 63.04 1mgw n ILE 61 Cb 0.47 -1.89 -0.08 0.00 -0.71 0.00 0.00 39.64 37.43 1mgw n ILE 61 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1mgw s THR 62 N 0.41 5.09 0.14 1.39 2.01 -1.26 -4.78 115.64 118.64 1mgw s THR 62 Ca 0.69 0.58 -0.34 0.00 0.31 0.00 0.00 61.69 62.93 1mgw s THR 62 Cb -0.53 -3.82 -0.14 0.00 0.01 0.00 0.00 72.50 68.02 1mgw s THR 62 CO 0.43 0.01 1.61 -2.65 -0.69 0.00 0.00 174.62 173.33 1mgw n PRO 63 N 5.52 2.17 -0.96 4.92 -0.02 -1.26 -1.52 135.00 143.86 1mgw n PRO 63 Ca -0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1mgw n PRO 63 Cb 0.50 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1mgw n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mgw n GLY 64 N 3.52 0.56 3.70 -1.23 0.00 -1.26 -5.02 105.19 105.46 1mgw n GLY 64 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1mgw n GLY 64 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mgw s SER 65 N -2.32 7.27 0.03 1.61 0.15 -0.57 -4.92 113.70 114.96 1mgw s SER 65 Ca 0.00 1.54 0.28 0.00 0.70 0.00 0.00 55.95 58.47 1mgw s SER 65 Cb 0.00 -2.54 1.13 0.00 -1.71 0.00 0.00 66.02 62.90 1mgw s SER 65 CO 0.00 -0.29 1.87 -0.81 1.20 0.00 0.00 173.24 175.22 1mgw n PRO 66 N 4.19 0.04 -4.58 5.44 -0.04 -1.26 -4.84 135.00 133.94 1mgw n PRO 66 Ca 0.06 0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 1mgw n PRO 66 Cb 0.50 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1mgw n PRO 66 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mgw s THR 67 N -3.02 1.80 0.24 0.52 -4.23 -1.26 -5.05 115.64 104.64 1mgw s THR 67 Ca 0.13 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 1mgw s THR 67 Cb 0.17 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.37 1mgw s THR 67 CO 0.52 0.00 1.62 -0.09 -0.54 0.00 0.00 174.62 176.13 1mgw h ARG 68 N 1.84 0.04 0.00 3.99 2.43 -1.99 -3.46 114.38 117.22 1mgw h ARG 68 Ca -0.43 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1mgw h ARG 68 Cb 1.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1mgw h ARG 68 CO 0.78 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 179.68 1mgw n GLY 69 N -1.46 -1.86 0.06 2.80 0.00 -1.26 -4.54 105.19 98.93 1mgw n GLY 69 Ca 0.12 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.65 1mgw n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mgw n ALA 70 N 0.43 4.15 -2.87 4.61 0.00 -1.26 -4.89 120.51 120.68 1mgw n ALA 70 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1mgw n ALA 70 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1mgw n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mgw s ARG 71 N -2.92 3.46 0.05 0.00 0.52 -1.26 -0.60 118.95 118.20 1mgw s ARG 71 Ca 0.11 -0.12 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 1mgw s ARG 71 Cb 0.17 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.48 1mgw s ARG 71 CO 0.76 0.77 0.34 1.03 0.02 0.00 0.00 175.30 178.22 1mgw s ARG 72 N -1.11 0.87 -0.13 3.54 1.81 0.06 -1.31 118.95 122.68 1mgw s ARG 72 Ca 0.16 -0.49 -0.04 0.00 -1.72 0.00 0.00 55.73 53.65 1mgw s ARG 72 Cb -0.12 0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.72 1mgw s ARG 72 CO 0.06 -0.29 -0.00 0.42 -0.68 0.00 0.00 175.30 174.80 1mgw s ILE 73 N -2.67 4.21 -0.18 1.52 -1.09 -0.03 -1.50 121.20 121.46 1mgw s ILE 73 Ca -0.04 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1mgw s ILE 73 Cb -0.00 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1mgw s ILE 73 CO -0.04 0.53 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.48 1mgw s ILE 74 N -0.11 3.14 -0.08 2.92 1.09 0.48 -0.78 121.20 127.86 1mgw s ILE 74 Ca 0.04 -0.59 -0.10 0.00 -1.10 0.00 0.00 60.65 58.89 1mgw s ILE 74 Cb -0.13 -2.38 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 1mgw s ILE 74 CO 0.02 0.47 0.24 0.42 -0.10 0.00 0.00 174.94 176.00 1mgw s THR 75 N 1.01 5.32 0.42 2.92 -4.23 -0.03 0.17 115.64 121.22 1mgw s THR 75 Ca -0.01 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1mgw s THR 75 Cb -0.15 -3.52 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 1mgw s THR 75 CO -0.01 0.59 0.48 -0.83 -0.54 0.00 0.00 174.62 174.31 1mgw s GLY 76 N -0.96 2.03 0.42 3.99 0.00 0.69 -1.95 107.32 111.54 1mgw s GLY 76 Ca 0.18 -1.76 0.23 0.00 0.00 0.00 0.00 44.72 43.37 1mgw s GLY 76 CO 0.07 -1.58 1.73 1.46 0.00 0.00 0.00 173.10 174.78 1mgw h GLN 77 N 0.82 0.00 -7.32 2.90 1.08 -1.83 -3.43 115.11 107.33 1mgw h GLN 77 Ca -0.41 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.29 1mgw h GLN 77 Cb 1.27 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.77 1mgw h GLN 77 CO 0.51 0.21 0.36 -0.65 -0.95 0.00 0.00 178.83 178.30 1mgw s GLN 78 N -3.42 3.29 0.22 1.46 -1.52 -1.26 -4.97 119.66 113.46 1mgw s GLN 78 Ca 0.03 0.51 -0.32 0.00 -1.95 0.00 0.00 55.36 53.63 1mgw s GLN 78 Cb 0.08 -2.12 -0.13 0.00 -0.22 0.00 0.00 33.01 30.63 1mgw s GLN 78 CO 0.65 -0.69 1.59 1.87 -0.25 0.00 0.00 175.29 178.47 1mgw n TRP 79 N -2.75 2.54 -1.80 0.91 -0.00 -1.26 -1.80 117.44 113.28 1mgw n TRP 79 Ca 0.05 0.23 -0.21 0.00 -0.00 0.00 0.00 57.50 57.58 1mgw n TRP 79 Cb 0.56 -2.58 -0.07 0.00 -0.00 0.00 0.00 31.31 29.22 1mgw n TRP 79 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1mgw n GLN 80 N 2.97 -1.51 -2.91 5.87 6.02 -1.26 -4.91 117.38 121.65 1mgw n GLN 80 Ca 0.13 1.17 -0.44 0.00 -0.01 0.00 0.00 57.00 57.86 1mgw n GLN 80 Cb 0.33 -5.62 0.00 0.00 1.02 0.00 0.00 30.24 25.97 1mgw n GLN 80 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1mgw n GLU 81 N -2.53 3.70 -5.14 -1.09 2.13 -0.74 -4.84 120.64 112.13 1mgw n GLU 81 Ca -0.22 -4.07 -0.32 0.00 0.66 0.00 0.00 57.16 53.22 1mgw n GLU 81 Cb 0.68 -2.78 -0.15 0.00 0.27 0.00 0.00 31.44 29.46 1mgw n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1mgw s ASP 82 N 1.05 3.42 0.08 4.31 -0.00 -1.26 -0.22 116.67 124.04 1mgw s ASP 82 Ca 0.37 -0.38 0.09 0.00 -0.00 0.00 0.00 52.55 52.62 1mgw s ASP 82 Cb -0.00 -0.66 -0.03 0.00 -0.00 0.00 0.00 42.92 42.23 1mgw s ASP 82 CO 0.00 0.31 -0.23 -0.31 -0.00 0.00 0.00 175.17 174.94 1mgw s TYR 83 N -0.52 1.96 -0.11 4.23 1.51 0.13 -0.83 117.35 123.72 1mgw s TYR 83 Ca 0.07 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1mgw s TYR 83 Cb -0.11 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 1mgw s TYR 83 CO 0.01 0.18 -0.19 -0.47 -1.11 0.00 0.00 175.55 173.97 1mgw s TYR 84 N -0.97 2.67 -0.03 2.71 6.04 0.19 -0.39 117.35 127.57 1mgw s TYR 84 Ca 0.09 -0.79 0.05 0.00 0.04 0.00 0.00 57.07 56.46 1mgw s TYR 84 Cb -0.10 -1.76 -0.01 0.00 -1.04 0.00 0.00 41.96 39.06 1mgw s TYR 84 CO 0.03 -0.28 -0.20 -0.08 -1.54 0.00 0.00 175.55 173.49 1mgw s THR 85 N 0.25 1.59 -0.80 4.34 -1.32 -0.56 -1.54 115.64 117.61 1mgw s THR 85 Ca -0.13 -0.83 0.10 0.00 -1.21 0.00 0.00 61.69 59.63 1mgw s THR 85 Cb -0.16 -1.34 0.30 0.00 -1.51 0.00 0.00 72.50 69.78 1mgw s THR 85 CO 0.07 0.45 1.25 0.00 -2.21 0.00 0.00 174.62 174.17 1mgw n ALA 86 N 2.89 2.22 -2.77 11.08 0.00 -1.26 -0.76 120.51 131.91 1mgw n ALA 86 Ca -0.17 -1.22 -0.04 0.00 0.00 0.00 0.00 53.44 52.01 1mgw n ALA 86 Cb 0.53 -0.42 0.04 0.00 0.00 0.00 0.00 19.45 19.60 1mgw n ALA 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mgw n ASP 87 N 0.35 1.49 -3.84 0.00 3.85 -1.15 -4.54 116.55 112.71 1mgw n ASP 87 Ca 0.11 -2.29 -0.24 0.00 -0.71 0.00 0.00 54.79 51.67 1mgw n ASP 87 Cb 0.45 -0.49 0.01 0.00 -1.35 0.00 0.00 41.12 39.73 1mgw n ASP 87 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1mgw n HIS 88 N -0.40 -1.80 -1.17 2.11 8.25 0.23 -2.23 115.22 120.22 1mgw n HIS 88 Ca 0.08 0.80 -0.06 0.00 -0.26 0.00 0.00 57.72 58.28 1mgw n HIS 88 Cb 0.81 -4.04 -0.02 0.00 1.12 0.00 0.00 29.99 27.86 1mgw n HIS 88 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1mgw n TYR 89 N -4.35 0.00 0.18 4.41 4.01 -1.26 -4.86 117.16 115.28 1mgw n TYR 89 Ca -0.28 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.51 1mgw n TYR 89 Cb 0.67 -1.73 0.26 0.00 -0.31 0.00 0.00 39.34 38.22 1mgw n TYR 89 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mgw h ALA 90 N 0.00 0.89 -2.63 -0.72 0.00 -1.85 -3.46 119.26 111.48 1mgw h ALA 90 Ca -0.12 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1mgw h ALA 90 Cb 0.72 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 1mgw h ALA 90 CO 0.17 0.48 -0.01 -1.54 0.00 0.00 0.00 179.25 178.36 1mgw s SER 91 N -6.39 -0.36 0.08 0.00 1.04 -1.26 -5.11 113.70 101.71 1mgw s SER 91 Ca 0.02 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1mgw s SER 91 Cb 0.10 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1mgw s SER 91 CO 0.70 -0.77 -0.09 -0.36 0.98 0.00 0.00 173.24 173.69 1mgw s PHE 92 N -2.99 0.92 0.01 5.02 0.40 -1.26 -4.38 117.98 115.71 1mgw s PHE 92 Ca -0.02 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.68 1mgw s PHE 92 Cb 0.00 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 1mgw s PHE 92 CO -0.06 -0.05 -0.11 1.03 0.70 0.00 0.00 175.22 176.73 1mgw s ARG 93 N -2.64 0.83 0.03 0.44 0.52 -0.59 -4.51 118.95 113.02 1mgw s ARG 93 Ca 0.02 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.45 1mgw s ARG 93 Cb -0.03 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1mgw s ARG 93 CO -0.01 0.21 0.89 0.50 0.02 0.00 0.00 175.30 176.91 1mgw s ARG 94 N -0.60 4.57 -0.02 3.54 3.52 0.69 -0.64 118.95 130.01 1mgw s ARG 94 Ca 0.02 1.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 1mgw s ARG 94 Cb -0.05 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1mgw s ARG 94 CO 0.00 0.10 1.43 0.08 -0.81 0.00 0.00 175.30 176.10 1mgw s VAL 95 N 0.52 3.71 -0.50 7.11 1.01 -0.01 -1.53 120.40 130.70 1mgw s VAL 95 Ca 0.46 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 63.32 1mgw s VAL 95 Cb -0.21 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1mgw s VAL 95 CO 0.26 -0.02 0.52 -0.62 0.00 0.00 0.00 175.10 175.24 1mgw s ASP 96 N 2.09 6.18 0.00 3.32 3.68 0.34 -4.76 116.67 127.52 1mgw s ASP 96 Ca 0.65 -1.22 0.14 0.00 2.13 0.00 0.00 52.55 54.25 1mgw s ASP 96 Cb -0.31 -2.24 0.62 0.00 -1.45 0.00 0.00 42.92 39.53 1mgw s ASP 96 CO 0.26 -0.80 1.45 0.49 0.13 0.00 0.00 175.17 176.69 1mgw n PHE 97 N 5.69 0.00 1.33 -5.34 3.72 -1.26 -1.37 117.46 120.23 1mgw n PHE 97 Ca -0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.43 1mgw n PHE 97 Cb 0.44 -0.48 0.43 0.00 -0.94 0.00 0.00 39.48 38.93 1mgw n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mgw n ALA 98 N -1.48 2.54 -1.15 4.37 0.00 -1.26 -4.87 120.51 118.66 1mgw n ALA 98 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1mgw n ALA 98 Cb 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1mgw n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50