#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw s SER 2 N 0.00 3.72 -0.13 1.61 0.15 -1.26 -5.08 113.70 112.70 1wgw s SER 2 Ca 0.00 -3.14 -0.01 0.00 0.70 0.00 0.00 55.95 53.50 1wgw s SER 2 Cb 0.00 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.09 1wgw s SER 2 CO 0.00 -0.19 -0.09 -0.44 1.20 0.00 0.00 173.24 173.72 1wgw s SER 3 N -0.35 4.34 -0.45 5.45 0.01 -1.26 -5.08 113.70 116.36 1wgw s SER 3 Ca 0.22 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 1wgw s SER 3 Cb -0.13 -1.64 0.08 0.00 0.21 0.00 0.00 66.02 64.54 1wgw s SER 3 CO -0.09 0.18 0.34 -0.83 0.41 0.00 0.00 173.24 173.26 1wgw s GLY 4 N 0.27 2.02 0.06 3.44 0.00 -1.26 -4.81 107.32 107.04 1wgw s GLY 4 Ca -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.49 1wgw s GLY 4 CO 0.04 1.03 0.00 1.44 0.00 0.00 0.00 173.10 175.61 1wgw n SER 5 N 5.08 0.22 -2.82 1.64 7.64 -1.26 -5.12 113.62 119.00 1wgw n SER 5 Ca -0.11 0.10 -0.03 0.00 1.01 0.00 0.00 58.87 59.83 1wgw n SER 5 Cb 0.43 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1wgw n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgw n SER 6 N -3.05 -3.86 0.00 6.43 2.88 -1.26 -4.99 113.62 109.77 1wgw n SER 6 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wgw n SER 6 Cb 0.20 -3.63 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 7 N 1.99 3.97 4.68 0.46 0.00 -1.26 -4.96 105.19 110.07 1wgw n GLY 7 Ca -0.22 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw n ALA 8 N -0.00 0.00 0.24 4.61 0.00 -1.26 -4.30 120.51 119.80 1wgw n ALA 8 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1wgw n ALA 8 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 1wgw n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wgw h ASP 9 N 0.00 0.00 0.00 0.00 5.19 -1.97 -2.90 116.42 116.75 1wgw h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wgw h ASP 9 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wgw h ASP 9 CO 0.00 0.13 0.00 0.18 -3.12 0.00 0.00 179.24 176.43 1wgw n LEU 10 N -4.17 0.00 -0.40 1.55 4.77 -1.26 -1.46 117.00 116.03 1wgw n LEU 10 Ca -0.02 0.82 0.39 0.00 -0.03 0.00 0.00 56.01 57.17 1wgw n LEU 10 Cb 0.21 -0.32 0.74 0.00 -2.33 0.00 0.00 43.42 41.72 1wgw n LEU 10 CO 0.34 -0.32 1.36 1.23 -1.33 0.00 0.00 177.39 178.67 1wgw h GLY 11 N 0.00 0.00 0.92 -0.72 0.00 -1.92 0.32 103.07 101.67 1wgw h GLY 11 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wgw h GLY 11 CO 0.00 0.00 -0.20 3.21 0.00 0.00 0.00 176.54 179.55 1wgw h ARG 12 N 0.00 -0.54 -1.01 4.80 3.08 -1.14 1.05 114.38 120.62 1wgw h ARG 12 Ca 0.65 0.04 0.28 0.00 0.07 0.00 0.00 59.98 61.02 1wgw h ARG 12 Cb 2.74 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 32.79 1wgw h ARG 12 CO -0.01 -0.31 0.60 0.87 -1.07 0.00 0.00 179.97 180.05 1wgw h LYS 13 N -0.64 0.45 0.06 0.04 1.57 0.80 0.39 116.57 119.22 1wgw h LYS 13 Ca -0.06 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 1wgw h LYS 13 Cb 0.48 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1wgw h LYS 13 CO 0.09 0.30 -0.77 0.82 -0.57 0.00 0.00 179.45 179.32 1wgw h ILE 14 N 0.46 1.42 -0.80 1.86 2.04 -1.31 -3.17 117.51 118.02 1wgw h ILE 14 Ca 0.68 -2.27 0.11 0.00 1.00 0.00 0.00 64.86 64.39 1wgw h ILE 14 Cb 1.45 2.77 -0.13 0.00 -0.74 0.00 0.00 36.82 40.17 1wgw h ILE 14 CO -0.51 0.66 -0.43 0.74 0.00 0.00 0.00 178.15 178.61 1wgw h THR 15 N -0.10 0.05 -0.62 -0.27 2.02 0.54 1.20 112.91 115.73 1wgw h THR 15 Ca -0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.11 1wgw h THR 15 Cb 1.51 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1wgw h THR 15 CO 0.15 0.00 0.41 -1.28 0.37 0.00 0.00 175.52 175.17 1wgw h SER 16 N -0.10 0.59 0.34 4.18 0.87 -1.32 1.11 113.55 119.21 1wgw h SER 16 Ca 0.24 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1wgw h SER 16 Cb 0.55 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1wgw h SER 16 CO -0.84 0.40 -0.16 0.00 -0.53 0.00 0.00 176.83 175.70 1wgw h ALA 17 N 1.65 -0.45 -0.40 6.23 0.00 0.12 1.03 119.26 127.43 1wgw h ALA 17 Ca 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1wgw h ALA 17 Cb 0.15 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1wgw h ALA 17 CO -0.07 -0.68 -0.11 -0.07 0.00 0.00 0.00 179.25 178.32 1wgw h LEU 18 N -0.60 0.70 -1.13 0.00 3.38 0.51 -2.09 115.31 116.07 1wgw h LEU 18 Ca -0.05 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1wgw h LEU 18 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wgw h LEU 18 CO 0.08 0.84 -0.36 0.03 0.09 0.00 0.00 178.44 179.11 1wgw h ARG 19 N 0.65 0.00 -0.62 1.13 2.47 0.15 -2.72 114.38 115.44 1wgw h ARG 19 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1wgw h ARG 19 Cb 0.56 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1wgw h ARG 19 CO 0.03 0.36 0.39 1.03 0.56 0.00 0.00 179.97 182.35 1wgw h SER 20 N 0.00 0.72 0.13 7.04 0.87 0.18 -1.55 113.55 120.95 1wgw h SER 20 Ca -0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1wgw h SER 20 Cb 0.78 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1wgw h SER 20 CO 0.05 0.54 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.75 1wgw h LEU 21 N 0.84 -0.15 -1.96 2.23 3.38 -1.44 -1.90 115.31 116.31 1wgw h LEU 21 Ca 0.22 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 58.06 1wgw h LEU 21 Cb -0.06 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wgw h LEU 21 CO -0.05 0.24 0.51 0.28 0.09 0.00 0.00 178.44 179.51 1wgw h SER 22 N -0.57 0.00 -0.58 -0.43 0.02 -1.40 1.47 113.55 112.07 1wgw h SER 22 Ca -0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1wgw h SER 22 Cb 0.44 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.88 1wgw h SER 22 CO 0.03 0.00 0.16 0.59 -1.14 0.00 0.00 176.83 176.47 1wgw n ASN 23 N -3.92 4.23 -4.61 3.07 3.02 -0.62 -4.95 115.26 111.48 1wgw n ASN 23 Ca 0.11 -3.28 -0.28 0.00 -0.03 0.00 0.00 54.58 51.10 1wgw n ASN 23 Cb 0.73 -0.69 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgw s ALA 24 N -3.01 3.06 -0.07 5.41 0.00 0.50 -4.99 121.76 122.67 1wgw s ALA 24 Ca 0.51 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1wgw s ALA 24 Cb 0.41 -0.93 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 1wgw s ALA 24 CO 0.10 0.58 0.02 2.41 0.00 0.00 0.00 175.76 178.87 1wgw n THR 25 N 0.34 0.45 0.01 0.00 -1.04 -1.26 -4.78 114.28 108.00 1wgw n THR 25 Ca -0.12 -0.28 -0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1wgw n THR 25 Cb 0.54 -0.82 -0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1wgw n THR 25 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wgw h ILE 26 N 0.00 0.00 -4.84 12.58 5.03 -1.95 -3.49 117.51 124.83 1wgw h ILE 26 Ca -0.18 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1wgw h ILE 26 Cb 1.40 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.15 1wgw h ILE 26 CO 0.01 0.00 -1.01 -0.38 -0.68 0.00 0.00 178.15 176.09 1wgw n ILE 27 N -2.09-10.97 -3.18 -0.67 2.08 -1.26 -5.07 119.36 98.20 1wgw n ILE 27 Ca -0.00 2.50 0.00 0.00 0.56 0.00 0.00 62.75 65.80 1wgw n ILE 27 Cb 0.01 -5.49 0.00 0.00 -0.75 0.00 0.00 39.64 33.41 1wgw n ILE 27 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1wgw n ASN 28 N 1.89 0.00 -0.36 4.38 0.23 -1.26 -4.99 115.26 115.15 1wgw n ASN 28 Ca -0.14 -0.91 -0.01 0.00 -0.53 0.00 0.00 54.58 53.00 1wgw n ASN 28 Cb 0.21 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.05 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wgw h GLU 29 N 0.00 1.26 -0.03 -3.83 4.81 -1.96 -2.43 114.58 112.40 1wgw h GLU 29 Ca 0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1wgw h GLU 29 Cb 0.00 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1wgw h GLU 29 CO 0.00 0.84 -0.05 1.49 -0.73 0.00 0.00 179.01 180.55 1wgw h GLU 30 N 1.30 -0.07 0.00 1.92 4.57 -1.98 -0.45 114.58 119.87 1wgw h GLU 30 Ca 0.37 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1wgw h GLU 30 Cb -0.11 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1wgw h GLU 30 CO -0.09 -0.05 0.00 0.28 -1.18 0.00 0.00 179.01 177.97 1wgw n VAL 31 N -5.17 0.00 -0.34 0.32 0.31 -0.94 0.22 118.33 112.72 1wgw n VAL 31 Ca -0.06 1.45 0.14 0.00 -0.01 0.00 0.00 64.34 65.86 1wgw n VAL 31 Cb 0.10 -2.19 0.29 0.00 -0.91 0.00 0.00 33.84 31.13 1wgw n VAL 31 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wgw h LEU 32 N 0.00 -0.48 -0.06 7.52 6.46 -1.45 1.84 115.31 129.14 1wgw h LEU 32 Ca 0.00 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1wgw h LEU 32 Cb 0.00 0.48 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1wgw h LEU 32 CO 0.00 -0.35 0.03 -1.13 -0.62 0.00 0.00 178.44 176.37 1wgw h ASN 33 N 0.01 0.07 0.16 1.25 -1.24 0.08 0.43 115.58 116.33 1wgw h ASN 33 Ca 0.59 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.54 1wgw h ASN 33 Cb 1.21 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1wgw h ASN 33 CO -0.92 0.11 -0.07 0.00 -1.29 0.00 0.00 177.43 175.26 1wgw h ALA 34 N 0.96 -0.82 -1.34 1.57 0.00 1.18 -2.98 119.26 117.84 1wgw h ALA 34 Ca 0.02 -0.05 0.47 0.00 0.00 0.00 0.00 54.91 55.35 1wgw h ALA 34 Cb 0.05 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1wgw h ALA 34 CO -0.00 -0.81 0.85 -0.12 0.00 0.00 0.00 179.25 179.17 1wgw n MET 35 N -2.69 -0.04 -0.00 0.00 0.00 0.53 0.16 117.12 115.08 1wgw n MET 35 Ca -0.03 1.25 -0.09 0.00 -0.00 0.00 0.00 57.70 58.83 1wgw n MET 35 Cb 0.08 -2.45 -0.03 0.00 0.00 0.00 0.00 33.22 30.82 1wgw n MET 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1wgw h LEU 36 N 0.00 -0.31 -1.77 -0.89 3.38 -0.77 0.13 115.31 115.08 1wgw h LEU 36 Ca 0.87 0.07 0.28 0.00 0.09 0.00 0.00 57.88 59.19 1wgw h LEU 36 Cb 2.77 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 43.62 1wgw h LEU 36 CO -0.48 -0.13 0.71 0.50 0.09 0.00 0.00 178.44 179.12 1wgw h LYS 37 N -0.11 0.15 0.00 1.13 3.64 0.17 1.74 116.57 123.29 1wgw h LYS 37 Ca 0.08 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1wgw h LYS 37 Cb 0.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1wgw h LYS 37 CO -0.19 0.10 -0.71 0.93 -2.27 0.00 0.00 179.45 177.31 1wgw h GLU 38 N 0.15 0.00 0.00 1.90 4.39 -0.67 -2.93 114.58 117.42 1wgw h GLU 38 Ca 0.52 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.21 1wgw h GLU 38 Cb 1.76 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1wgw h GLU 38 CO -0.10 0.71 -0.20 0.28 -1.16 0.00 0.00 179.01 178.53 1wgw h VAL 39 N 0.00 0.09 -1.04 3.13 2.07 0.37 -3.31 116.25 117.56 1wgw h VAL 39 Ca -0.01 -1.08 0.38 0.00 0.82 0.00 0.00 66.70 66.81 1wgw h VAL 39 Cb 1.44 0.19 -0.16 0.00 -1.52 0.00 0.00 31.29 31.24 1wgw h VAL 39 CO 0.09 0.03 0.59 0.00 0.02 0.00 0.00 177.57 178.31 1wgw h THR 41 N 0.15 0.23 -0.80 0.00 2.02 -1.63 0.92 112.91 113.80 1wgw h THR 41 Ca 0.80 0.00 0.19 0.00 0.77 0.00 0.00 66.41 68.16 1wgw h THR 41 Cb 2.04 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 68.54 1wgw h THR 41 CO -0.65 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.24 1wgw h ALA 42 N 0.28 0.84 -0.50 6.16 0.00 0.21 1.91 119.26 128.16 1wgw h ALA 42 Ca 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1wgw h ALA 42 Cb 0.58 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1wgw h ALA 42 CO -0.36 -0.44 0.25 -0.07 0.00 0.00 0.00 179.25 178.63 1wgw h LEU 43 N 0.09 0.62 -0.39 0.00 -0.00 -0.91 -0.61 115.31 114.11 1wgw h LEU 43 Ca 0.44 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.88 58.09 1wgw h LEU 43 Cb 0.80 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1wgw h LEU 43 CO -0.71 0.52 -0.80 -0.07 -0.00 0.00 0.00 178.44 177.38 1wgw h LEU 44 N 0.70 0.23 -0.20 1.67 3.38 0.44 -2.72 115.31 118.81 1wgw h LEU 44 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wgw h LEU 44 Cb 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wgw h LEU 44 CO -0.03 0.94 0.00 -0.62 0.09 0.00 0.00 178.44 178.82 1wgw n GLU 45 N -3.70 1.13 0.00 1.13 1.02 0.53 -4.23 120.64 116.52 1wgw n GLU 45 Ca -0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1wgw n GLU 45 Cb 0.76 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1wgw n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n ALA 46 N -0.55 0.00 0.00 0.62 0.00 -0.37 -4.78 120.51 115.43 1wgw n ALA 46 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1wgw n ALA 46 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1wgw n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wgw n ASP 47 N -0.87 0.00 -4.90 0.00 -0.08 -1.22 -4.96 116.55 104.52 1wgw n ASP 47 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 1wgw n ASP 47 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1wgw n ASP 47 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1wgw s VAL 48 N 0.00 2.00 0.26 5.18 -7.23 -1.23 -5.11 120.40 114.26 1wgw s VAL 48 Ca 0.00 -1.42 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 1wgw s VAL 48 Cb 0.00 -2.42 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 1wgw s VAL 48 CO 0.00 0.00 0.70 0.21 -0.31 0.00 0.00 175.10 175.70 1wgw s ASN 49 N -4.25 6.87 0.23 4.85 2.47 -1.26 -4.90 114.94 118.96 1wgw s ASN 49 Ca 0.41 1.28 -0.07 0.00 0.42 0.00 0.00 52.86 54.90 1wgw s ASN 49 Cb -0.02 -2.37 0.22 0.00 -1.45 0.00 0.00 41.25 37.63 1wgw s ASN 49 CO 0.25 -0.07 1.88 -0.29 -3.72 0.00 0.00 177.10 175.15 1wgw h ILE 50 N 2.36 1.25 -0.32 -5.21 6.09 -1.98 0.09 117.51 119.79 1wgw h ILE 50 Ca -0.48 -0.55 -0.03 0.00 -1.37 0.00 0.00 64.86 62.43 1wgw h ILE 50 Cb 1.18 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1wgw h ILE 50 CO 0.66 0.27 0.08 0.11 -3.07 0.00 0.00 178.15 176.19 1wgw h LYS 51 N 1.27 0.51 -0.12 2.19 6.56 -1.99 -2.51 116.57 122.49 1wgw h LYS 51 Ca 0.33 -0.12 0.03 0.00 -1.06 0.00 0.00 60.65 59.83 1wgw h LYS 51 Cb -0.06 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.50 1wgw h LYS 51 CO -0.06 0.58 -0.10 -0.07 -2.06 0.00 0.00 179.45 177.73 1wgw h LEU 52 N 0.35 -0.33 -2.04 2.94 3.38 -1.80 0.36 115.31 118.18 1wgw h LEU 52 Ca 0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wgw h LEU 52 Cb 0.30 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wgw h LEU 52 CO 0.00 -0.14 0.21 0.58 0.09 0.00 0.00 178.44 179.18 1wgw h VAL 53 N -0.12 0.00 0.00 1.22 2.07 -0.82 1.60 116.25 120.19 1wgw h VAL 53 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1wgw h VAL 53 Cb 0.24 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1wgw h VAL 53 CO -0.19 0.00 -0.49 0.50 0.02 0.00 0.00 177.57 177.41 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 3.64 0.13 -3.17 116.57 118.74 1wgw h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wgw h LYS 54 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1wgw h LYS 54 CO 0.00 0.00 -0.85 1.04 -2.27 0.00 0.00 179.45 177.37 1wgw n GLN 55 N -2.69 0.26 0.03 1.90 6.02 0.54 -3.79 117.38 119.64 1wgw n GLN 55 Ca 0.02 0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.84 1wgw n GLN 55 Cb 0.51 -1.61 -0.14 0.00 1.02 0.00 0.00 30.24 30.02 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wgw h LEU 56 N 0.00 0.39 -0.01 1.08 6.46 -1.27 -2.98 115.31 118.99 1wgw h LEU 56 Ca 0.00 -0.92 0.03 0.00 -0.12 0.00 0.00 57.88 56.86 1wgw h LEU 56 Cb 0.71 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1wgw h LEU 56 CO 0.00 1.41 -0.18 0.08 -0.62 0.00 0.00 178.44 179.13 1wgw h ARG 57 N -0.43 -0.28 0.04 1.25 0.11 -1.69 0.19 114.38 113.56 1wgw h ARG 57 Ca -0.17 0.02 0.03 0.00 0.10 0.00 0.00 59.98 59.96 1wgw h ARG 57 Cb 1.60 0.06 -0.04 0.00 1.11 0.00 0.00 29.97 32.70 1wgw h ARG 57 CO 0.11 -0.19 -0.25 1.05 0.10 0.00 0.00 179.97 180.79 1wgw h GLU 58 N -0.29 -0.40 -0.10 0.08 -0.00 -1.70 1.52 114.58 113.70 1wgw h GLU 58 Ca 0.06 0.03 0.03 0.00 -0.00 0.00 0.00 59.36 59.47 1wgw h GLU 58 Cb 0.37 0.09 -0.00 0.00 -0.00 0.00 0.00 28.75 29.20 1wgw h GLU 58 CO -0.18 -0.26 0.15 -0.97 -0.00 0.00 0.00 179.01 177.75 1wgw h ASN 59 N -0.41 0.00 0.00 3.06 -0.73 -1.31 0.78 115.58 116.97 1wgw h ASN 59 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1wgw h ASN 59 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1wgw h ASN 59 CO -0.20 0.00 -0.07 0.58 -0.37 0.00 0.00 177.43 177.37 1wgw h VAL 60 N 0.00 0.00 -0.73 2.57 2.07 0.25 -3.16 116.25 117.24 1wgw h VAL 60 Ca 0.05 -0.31 0.16 0.00 0.82 0.00 0.00 66.70 67.42 1wgw h VAL 60 Cb 0.35 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 1wgw h VAL 60 CO -0.00 0.00 0.12 0.11 0.02 0.00 0.00 177.57 177.81 1wgw h LYS 61 N -0.31 0.19 -0.32 1.57 1.57 0.22 1.31 116.57 120.81 1wgw h LYS 61 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1wgw h LYS 61 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1wgw h LYS 61 CO 0.00 0.13 0.26 1.03 -0.57 0.00 0.00 179.45 180.30 1wgw h SER 62 N 0.20 0.00 1.31 0.86 0.87 0.42 1.01 113.55 118.22 1wgw h SER 62 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1wgw h SER 62 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1wgw h SER 62 CO -0.56 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.74 1wgw h ALA 63 N 1.78 1.00 -3.00 6.23 0.00 0.17 -3.45 119.26 121.99 1wgw h ALA 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wgw h ALA 63 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wgw h ALA 63 CO -0.00 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.36 1wgw n ILE 64 N -2.49 0.00 0.02 0.00 2.08 0.35 -5.07 119.36 114.26 1wgw n ILE 64 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1wgw n ILE 64 Cb 0.38 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 1wgw n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wgw n ASP 65 N 0.00 -0.42 0.00 4.38 -0.08 -1.25 -4.99 116.55 114.19 1wgw n ASP 65 Ca 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1wgw n ASP 65 Cb 0.00 0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1wgw n ASP 65 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wgw n LEU 66 N -2.53 0.00 -0.50 -2.67 4.32 -1.26 -4.33 117.00 110.02 1wgw n LEU 66 Ca 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 56.01 56.42 1wgw n LEU 66 Cb 0.00 0.00 0.77 0.00 -1.62 0.00 0.00 43.42 42.57 1wgw n LEU 66 CO 0.00 0.00 1.39 1.05 -1.22 0.00 0.00 177.39 178.61 1wgw h GLU 67 N 0.00 0.02 -3.07 3.23 4.11 -2.00 -1.97 114.58 114.91 1wgw h GLU 67 Ca 0.00 -0.00 -0.77 0.00 0.07 0.00 0.00 59.36 58.66 1wgw h GLU 67 Cb 0.00 -0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 1wgw h GLU 67 CO 0.00 0.01 0.41 -0.85 0.07 0.00 0.00 179.01 178.66 1wgw n GLU 68 N -4.14 3.74 0.00 1.06 0.28 -1.26 -4.86 120.64 115.46 1wgw n GLU 68 Ca 0.35 -4.53 0.00 0.00 -0.16 0.00 0.00 57.16 52.81 1wgw n GLU 68 Cb 1.59 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wgw n MET 69 N 1.77 0.00 -3.59 3.44 2.81 -0.74 -4.99 117.12 115.81 1wgw n MET 69 Ca 0.25 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.90 1wgw n MET 69 Cb 0.36 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.88 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wgw n ALA 70 N -3.00 -2.66 0.00 3.04 0.00 -1.26 -4.68 120.51 111.95 1wgw n ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wgw n ALA 70 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1wgw n ALA 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgw n SER 71 N -1.84 0.00 -3.66 0.00 2.88 -1.26 -5.12 113.62 104.63 1wgw n SER 71 Ca -0.21 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.28 1wgw n SER 71 Cb 0.66 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 1wgw n SER 71 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgw s GLY 72 N 0.00 -0.51 -1.59 0.46 0.00 -1.26 -5.05 107.32 99.38 1wgw s GLY 72 Ca 0.00 1.86 -0.10 0.00 0.00 0.00 0.00 44.72 46.48 1wgw s GLY 72 CO 0.00 2.60 2.86 1.04 0.00 0.00 0.00 173.10 179.60 1wgw n LEU 73 N 5.29 8.57 -0.40 0.66 4.77 -1.26 -4.28 117.00 130.35 1wgw n LEU 73 Ca -0.11 -4.40 0.12 0.00 -0.03 0.00 0.00 56.01 51.58 1wgw n LEU 73 Cb 0.50 -1.55 0.11 0.00 -2.33 0.00 0.00 43.42 40.15 1wgw n LEU 73 CO -0.01 2.00 0.40 0.59 -1.33 0.00 0.00 177.39 179.04 1wgw n ASN 74 N 3.60 1.68 -0.21 -1.43 4.13 -1.26 -4.50 115.26 117.27 1wgw n ASN 74 Ca 0.75 -1.30 -0.06 0.00 1.68 0.00 0.00 54.58 55.66 1wgw n ASN 74 Cb 0.24 0.39 -0.05 0.00 -1.54 0.00 0.00 39.78 38.83 1wgw n ASN 74 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1wgw h LYS 75 N 1.96 -0.01 -1.12 3.52 1.57 -1.97 1.90 116.57 122.42 1wgw h LYS 75 Ca 0.00 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1wgw h LYS 75 Cb 0.67 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1wgw h LYS 75 CO 0.00 -0.00 0.75 0.00 -0.57 0.00 0.00 179.45 179.63 1wgw h ARG 76 N -0.01 0.23 0.07 3.15 3.08 -1.97 1.62 114.38 120.56 1wgw h ARG 76 Ca 0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wgw h ARG 76 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1wgw h ARG 76 CO -0.47 0.15 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.33 1wgw h LYS 77 N 0.24 -0.09 0.00 0.04 3.64 0.19 0.15 116.57 120.74 1wgw h LYS 77 Ca 0.62 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 1wgw h LYS 77 Cb 1.88 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 1wgw h LYS 77 CO -0.23 -0.06 0.27 0.00 -2.27 0.00 0.00 179.45 177.16 1wgw h MET 78 N -0.26 0.00 0.00 1.90 -0.00 0.27 0.07 114.93 116.91 1wgw h MET 78 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.56 1wgw h MET 78 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.65 1wgw h MET 78 CO 0.02 0.00 -0.73 0.82 -0.00 0.00 0.00 176.91 177.01 1wgw h ILE 79 N 0.00 1.26 -0.16 -0.10 2.04 0.23 -1.40 117.51 119.38 1wgw h ILE 79 Ca 0.00 -2.23 0.05 0.00 1.00 0.00 0.00 64.86 63.67 1wgw h ILE 79 Cb 0.54 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1wgw h ILE 79 CO 0.00 0.43 0.34 1.56 0.00 0.00 0.00 178.15 180.48 1wgw h GLN 80 N -1.00 0.00 0.00 2.37 4.20 0.13 0.14 115.11 120.94 1wgw h GLN 80 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1wgw h GLN 80 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1wgw h GLN 80 CO -0.12 0.00 -0.54 1.58 -0.67 0.00 0.00 178.83 179.08 1wgw n HIS 81 N -3.28 0.55 -0.33 2.96 -0.00 -0.72 -3.68 115.22 110.72 1wgw n HIS 81 Ca 0.02 0.24 0.03 0.00 0.46 0.00 0.00 57.72 58.47 1wgw n HIS 81 Cb 0.44 -0.61 0.10 0.00 -0.12 0.00 0.00 29.99 29.80 1wgw n HIS 81 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wgw h ALA 82 N -1.17 0.49 -0.00 1.57 0.00 -0.87 1.38 119.26 120.65 1wgw h ALA 82 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wgw h ALA 82 Cb 0.54 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wgw h ALA 82 CO 0.00 -0.45 0.00 0.28 0.00 0.00 0.00 179.25 179.08 1wgw n VAL 83 N -5.56 0.00 -0.05 0.00 0.31 0.45 -0.96 118.33 112.52 1wgw n VAL 83 Ca 0.13 1.50 0.24 0.00 -0.01 0.00 0.00 64.34 66.20 1wgw n VAL 83 Cb 0.45 -2.29 0.72 0.00 -0.91 0.00 0.00 33.84 31.80 1wgw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1wgw h PHE 84 N 0.00 0.00 0.00 3.52 -1.00 -1.23 1.44 116.94 119.67 1wgw h PHE 84 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1wgw h PHE 84 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1wgw h PHE 84 CO -0.25 0.00 -0.14 -0.22 -1.61 0.00 0.00 178.31 176.08 1wgw h LYS 85 N 0.00 0.00 0.00 1.51 3.11 0.33 -1.74 116.57 119.78 1wgw h LYS 85 Ca 0.32 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1wgw h LYS 85 Cb 1.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.70 1wgw h LYS 85 CO -0.00 0.14 -0.79 -1.91 -2.81 0.00 0.00 179.45 174.08 1wgw n GLU 86 N -3.38 0.35 0.17 1.90 4.07 0.49 -2.58 120.64 121.65 1wgw n GLU 86 Ca -0.00 0.07 0.12 0.00 -0.06 0.00 0.00 57.16 57.29 1wgw n GLU 86 Cb 0.34 -1.69 0.25 0.00 -0.06 0.00 0.00 31.44 30.28 1wgw n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wgw h LEU 87 N 0.00 0.00 0.01 4.31 3.38 -0.74 -3.26 115.31 119.01 1wgw h LEU 87 Ca 0.00 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 1wgw h LEU 87 Cb 0.79 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1wgw h LEU 87 CO 0.00 0.00 -2.34 1.33 0.09 0.00 0.00 178.44 177.52 1wgw n VAL 88 N -2.73 1.45 -2.73 1.22 0.24 -1.09 -4.62 118.33 110.07 1wgw n VAL 88 Ca 0.04 -0.76 -0.43 0.00 -2.04 0.00 0.00 64.34 61.14 1wgw n VAL 88 Cb 0.49 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1wgw n VAL 88 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wgw n LYS 89 N -2.95 3.50 -4.26 7.34 5.02 -1.07 -4.91 118.16 120.83 1wgw n LYS 89 Ca -0.35 -3.77 -0.18 0.00 -2.02 0.00 0.00 58.31 51.99 1wgw n LYS 89 Cb 1.10 -2.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.06 1wgw n LYS 89 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1wgw s VAL 90 N 0.92 0.00 -0.66 -0.18 -7.23 -1.26 -4.84 120.40 107.16 1wgw s VAL 90 Ca 0.41 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 1wgw s VAL 90 Cb 0.02 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.48 1wgw s VAL 90 CO 0.00 0.00 1.21 -0.54 -0.31 0.00 0.00 175.10 175.46 1wgw s LYS 91 N -3.47 3.34 0.55 4.82 1.02 -1.26 -4.76 119.74 119.97 1wgw s LYS 91 Ca 0.40 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1wgw s LYS 91 Cb 0.03 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 1wgw s LYS 91 CO 0.26 -1.89 0.00 1.55 -0.92 0.00 0.00 175.35 174.34 1wgw n VAL 92 N 6.48 -4.06 -0.20 3.17 3.14 -1.26 -4.93 118.33 120.66 1wgw n VAL 92 Ca 0.05 1.90 -0.13 0.00 -2.96 0.00 0.00 64.34 63.20 1wgw n VAL 92 Cb 0.49 -2.82 0.13 0.00 -1.06 0.00 0.00 33.84 30.57 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgw n TYR 93 N -1.72 -2.89 -3.43 1.45 4.11 -1.26 -5.03 117.16 108.38 1wgw n TYR 93 Ca 0.00 -0.37 -0.26 0.00 -0.00 0.00 0.00 57.90 57.27 1wgw n TYR 93 Cb 0.23 -0.54 -0.11 0.00 -0.00 0.00 0.00 39.34 38.92 1wgw n TYR 93 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1wgw s SER 94 N -2.53 2.48 0.36 9.48 0.01 -1.26 -5.10 113.70 117.13 1wgw s SER 94 Ca 0.30 -2.01 0.00 0.00 1.31 0.00 0.00 55.95 55.55 1wgw s SER 94 Cb -0.05 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1wgw s SER 94 CO 0.24 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1wgw n GLY 95 N 4.11 -3.31 3.64 3.44 0.00 -1.26 -4.77 105.19 107.05 1wgw n GLY 95 Ca 0.12 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1wgw n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgw s PRO 96 N -4.30 4.06 -0.73 1.61 0.04 -1.26 -4.89 135.00 129.53 1wgw s PRO 96 Ca 0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1wgw s PRO 96 Cb 0.00 -3.84 -0.15 0.00 0.04 0.00 0.00 34.50 30.55 1wgw s PRO 96 CO 0.00 -0.93 2.53 0.43 0.04 0.00 0.00 177.00 179.06 1wgw n SER 97 N 7.19 1.23 -2.38 6.66 7.64 -1.26 -3.29 113.62 129.42 1wgw n SER 97 Ca 0.15 -0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.95 1wgw n SER 97 Cb 0.46 -1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 1wgw n SER 97 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgw n SER 98 N 12.34 -0.93 0.00 6.43 2.88 -1.26 -5.17 113.62 127.91 1wgw n SER 98 Ca 0.53 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wgw n SER 98 Cb 0.24 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42