#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw n SER 2 N 0.00 0.74 0.14 1.61 3.41 -1.26 -5.06 113.62 113.21 1wgw n SER 2 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1wgw n SER 2 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1wgw n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgw n SER 3 N -3.36 -1.85 0.00 4.04 2.88 -1.26 -5.14 113.62 108.93 1wgw n SER 3 Ca 0.00 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1wgw n SER 3 Cb 0.12 1.87 0.00 0.00 -0.75 0.00 0.00 64.21 65.44 1wgw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 4 N -0.23 2.46 3.13 0.46 0.00 -1.26 -5.11 105.19 104.64 1wgw n GLY 4 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1wgw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgw s SER 5 N 0.00 5.36 0.00 1.61 0.01 -1.26 -4.69 113.70 114.73 1wgw s SER 5 Ca 0.00 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.03 1wgw s SER 5 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1wgw s SER 5 CO 0.00 -0.53 0.00 -0.24 0.41 0.00 0.00 173.24 172.88 1wgw n SER 6 N 4.36 0.00 0.00 2.44 2.88 -1.26 -5.13 113.62 116.91 1wgw n SER 6 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wgw n SER 6 Cb 0.40 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.81 0.94 4.98 0.46 0.00 -1.26 -4.97 105.19 104.53 1wgw n GLY 7 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.94 0.00 -0.40 4.61 0.00 -1.26 -4.38 120.51 118.14 1wgw n ALA 8 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 1wgw n ALA 8 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.10 1wgw n ALA 8 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1wgw h ASP 9 N 0.00 0.21 0.00 0.00 3.58 -1.99 -2.05 116.42 116.17 1wgw h ASP 9 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1wgw h ASP 9 Cb 0.00 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1wgw h ASP 9 CO 0.00 -0.02 0.00 0.18 -2.88 0.00 0.00 179.24 176.52 1wgw n LEU 10 N -4.44 0.00 -0.43 2.28 4.77 -1.26 -0.90 117.00 117.02 1wgw n LEU 10 Ca 0.31 0.54 0.40 0.00 -0.03 0.00 0.00 56.01 57.23 1wgw n LEU 10 Cb 1.26 -0.04 0.69 0.00 -2.33 0.00 0.00 43.42 43.00 1wgw n LEU 10 CO 0.31 -0.04 1.37 1.23 -1.33 0.00 0.00 177.39 178.92 1wgw h GLY 11 N 0.00 0.00 0.86 -0.72 0.00 -1.52 0.63 103.07 102.32 1wgw h GLY 11 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1wgw h GLY 11 CO 0.00 0.00 -0.14 3.21 0.00 0.00 0.00 176.54 179.61 1wgw h ARG 12 N 0.00 -0.37 -0.02 4.80 2.47 -0.63 0.95 114.38 121.58 1wgw h ARG 12 Ca 0.68 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 59.44 1wgw h ARG 12 Cb 3.04 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 31.41 1wgw h ARG 12 CO -0.01 -0.15 -0.37 0.87 0.56 0.00 0.00 179.97 180.88 1wgw h LYS 13 N -0.52 -0.43 -0.36 0.04 1.57 0.22 0.13 116.57 117.21 1wgw h LYS 13 Ca -0.04 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1wgw h LYS 13 Cb 0.39 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1wgw h LYS 13 CO 0.06 -0.29 0.10 0.82 -0.57 0.00 0.00 179.45 179.57 1wgw h ILE 14 N -0.45 0.85 -0.83 1.86 2.04 -1.54 -1.85 117.51 117.60 1wgw h ILE 14 Ca 0.01 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 65.95 1wgw h ILE 14 Cb 0.49 0.60 -0.16 0.00 -0.74 0.00 0.00 36.82 37.01 1wgw h ILE 14 CO -0.25 0.04 -0.25 0.74 0.00 0.00 0.00 178.15 178.43 1wgw h THR 15 N 0.23 0.14 -0.21 -0.27 2.02 0.18 1.54 112.91 116.54 1wgw h THR 15 Ca 0.17 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 1wgw h THR 15 Cb 0.17 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1wgw h THR 15 CO -0.20 0.00 -0.06 -1.28 0.37 0.00 0.00 175.52 174.35 1wgw h SER 16 N -0.02 0.30 -0.58 4.18 0.87 -0.02 0.16 113.55 118.44 1wgw h SER 16 Ca 0.38 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1wgw h SER 16 Cb 0.61 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1wgw h SER 16 CO -0.86 0.40 0.15 0.00 -0.53 0.00 0.00 176.83 175.99 1wgw h ALA 17 N 1.64 0.77 -0.20 6.23 0.00 0.28 0.45 119.26 128.42 1wgw h ALA 17 Ca 0.07 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1wgw h ALA 17 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wgw h ALA 17 CO 0.01 0.46 -0.62 -0.07 0.00 0.00 0.00 179.25 179.04 1wgw h LEU 18 N 0.83 0.78 -1.27 0.00 3.38 0.19 -2.84 115.31 116.38 1wgw h LEU 18 Ca 0.18 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1wgw h LEU 18 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wgw h LEU 18 CO 0.00 1.21 -0.22 0.03 0.09 0.00 0.00 178.44 179.55 1wgw h ARG 19 N 0.51 0.00 -0.92 1.13 2.47 -0.36 -2.84 114.38 114.37 1wgw h ARG 19 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1wgw h ARG 19 Cb 1.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 1wgw h ARG 19 CO 0.12 0.22 0.61 1.03 0.56 0.00 0.00 179.97 182.51 1wgw h SER 20 N 0.00 1.04 0.40 7.04 0.87 0.16 -2.51 113.55 120.54 1wgw h SER 20 Ca -0.00 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1wgw h SER 20 Cb 0.68 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1wgw h SER 20 CO 0.03 0.74 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.81 1wgw h LEU 21 N 1.22 -0.46 -1.93 2.23 3.38 -1.54 -0.19 115.31 118.02 1wgw h LEU 21 Ca 0.34 -0.06 0.42 0.00 0.09 0.00 0.00 57.88 58.68 1wgw h LEU 21 Cb -0.10 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1wgw h LEU 21 CO -0.09 -0.22 1.08 -1.28 0.09 0.00 0.00 178.44 178.02 1wgw h SER 22 N -0.68 0.00 0.21 -0.43 0.87 -1.49 1.43 113.55 113.46 1wgw h SER 22 Ca -0.06 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.19 1wgw h SER 22 Cb 0.49 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1wgw h SER 22 CO 0.09 0.00 -1.48 -1.13 -0.53 0.00 0.00 176.83 173.78 1wgw h ASN 23 N 0.00 0.69 -3.58 6.23 -1.24 -0.95 -3.45 115.58 113.27 1wgw h ASN 23 Ca 0.68 -0.93 -0.53 0.00 0.71 0.00 0.00 56.30 56.24 1wgw h ASN 23 Cb 2.83 -0.23 0.09 0.00 0.73 0.00 0.00 38.32 41.75 1wgw h ASN 23 CO -0.01 1.69 0.83 0.00 -1.29 0.00 0.00 177.43 178.65 1wgw s ALA 24 N -2.56 3.66 -0.00 1.57 0.00 0.49 -4.91 121.76 120.01 1wgw s ALA 24 Ca -0.13 1.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1wgw s ALA 24 Cb 0.04 -3.62 -0.26 0.00 0.00 0.00 0.00 23.12 19.28 1wgw s ALA 24 CO 0.89 -0.98 0.83 1.15 0.00 0.00 0.00 175.76 177.65 1wgw h THR 25 N 3.24 1.11 -3.53 0.00 2.02 -1.88 -3.45 112.91 110.42 1wgw h THR 25 Ca -0.48 -2.80 -0.62 0.00 0.77 0.00 0.00 66.41 63.28 1wgw h THR 25 Cb 1.23 2.70 -0.15 0.00 -1.74 0.00 0.00 68.15 70.19 1wgw h THR 25 CO 0.73 0.79 -0.51 -0.63 0.37 0.00 0.00 175.52 176.27 1wgw s ILE 26 N -2.62 5.27 -0.51 3.11 -1.09 -1.26 -4.99 121.20 119.11 1wgw s ILE 26 Ca -0.09 0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1wgw s ILE 26 Cb 0.07 -3.45 0.13 0.00 -1.58 0.00 0.00 42.46 37.64 1wgw s ILE 26 CO 0.84 0.36 0.35 -0.63 -1.23 0.00 0.00 174.94 174.63 1wgw s ILE 27 N 0.95 3.82 0.00 2.92 -1.09 -1.26 -4.83 121.20 121.71 1wgw s ILE 27 Ca 0.07 -2.26 0.00 0.00 -2.23 0.00 0.00 60.65 56.23 1wgw s ILE 27 Cb -0.13 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1wgw s ILE 27 CO 0.03 -0.79 0.00 -0.46 -1.23 0.00 0.00 174.94 172.49 1wgw n ASN 28 N 4.34 0.50 0.17 3.58 0.23 -1.26 -4.76 115.26 118.05 1wgw n ASN 28 Ca -0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.92 1wgw n ASN 28 Cb 0.40 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.03 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wgw h GLU 29 N 0.00 -0.44 -0.85 -3.83 3.07 -1.95 -3.19 114.58 107.38 1wgw h GLU 29 Ca 0.00 0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.05 1wgw h GLU 29 Cb 0.00 0.10 -0.15 0.00 -0.84 0.00 0.00 28.75 27.85 1wgw h GLU 29 CO 0.00 -0.11 -0.25 -1.91 -1.40 0.00 0.00 179.01 175.34 1wgw n GLU 30 N -5.13 -0.11 -0.06 2.33 2.13 -1.26 0.91 120.64 119.45 1wgw n GLU 30 Ca -0.09 1.32 -0.12 0.00 0.66 0.00 0.00 57.16 58.93 1wgw n GLU 30 Cb 0.27 -1.97 -0.07 0.00 0.27 0.00 0.00 31.44 29.95 1wgw n GLU 30 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wgw h VAL 31 N 0.00 0.09 -0.26 6.31 2.07 -1.87 0.61 116.25 123.20 1wgw h VAL 31 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.96 1wgw h VAL 31 Cb 0.59 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1wgw h VAL 31 CO -0.87 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 176.50 1wgw h LEU 32 N -0.44 -0.50 -0.13 2.57 3.38 0.53 0.84 115.31 121.57 1wgw h LEU 32 Ca 0.09 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1wgw h LEU 32 Cb 0.62 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 1wgw h LEU 32 CO -0.49 -0.19 -0.43 0.78 0.09 0.00 0.00 178.44 178.21 1wgw h ASN 33 N -0.12 -1.35 0.57 -0.43 2.35 0.73 1.52 115.58 118.86 1wgw h ASN 33 Ca 0.14 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1wgw h ASN 33 Cb 0.34 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1wgw h ASN 33 CO -0.34 -0.43 -0.44 0.00 -1.65 0.00 0.00 177.43 174.57 1wgw h ALA 34 N 0.08 -1.17 -0.59 -0.83 0.00 0.92 -2.04 119.26 115.62 1wgw h ALA 34 Ca 0.07 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1wgw h ALA 34 Cb 0.63 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 1wgw h ALA 34 CO -0.40 -1.16 -0.26 1.98 0.00 0.00 0.00 179.25 179.41 1wgw h MET 35 N -0.97 -0.10 -0.63 0.00 1.85 0.11 -0.46 114.93 114.73 1wgw h MET 35 Ca -0.08 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.11 1wgw h MET 35 Cb 0.81 0.02 -0.11 0.00 0.43 0.00 0.00 31.60 32.75 1wgw h MET 35 CO 0.02 -0.07 -0.48 -0.07 -0.40 0.00 0.00 176.91 175.92 1wgw h LEU 36 N -0.10 -1.66 -1.62 3.39 3.38 0.24 1.65 115.31 120.59 1wgw h LEU 36 Ca 0.26 0.26 0.27 0.00 0.09 0.00 0.00 57.88 58.77 1wgw h LEU 36 Cb 0.52 0.74 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1wgw h LEU 36 CO -0.66 -0.33 0.70 0.50 0.09 0.00 0.00 178.44 178.73 1wgw h LYS 37 N -0.21 0.24 0.00 1.13 3.11 -0.38 1.76 116.57 122.22 1wgw h LYS 37 Ca 0.17 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.87 1wgw h LYS 37 Cb 0.55 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1wgw h LYS 37 CO -0.73 0.16 -0.57 0.93 -2.81 0.00 0.00 179.45 176.44 1wgw h GLU 38 N 0.25 0.00 0.00 1.90 4.39 0.27 -2.86 114.58 118.53 1wgw h GLU 38 Ca 0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 1wgw h GLU 38 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1wgw h GLU 38 CO -0.17 0.57 -0.09 0.28 -1.16 0.00 0.00 179.01 178.44 1wgw h VAL 39 N 0.00 0.00 -1.35 3.13 2.07 0.85 -3.33 116.25 117.63 1wgw h VAL 39 Ca -0.01 -0.51 0.43 0.00 0.82 0.00 0.00 66.70 67.43 1wgw h VAL 39 Cb 1.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 1wgw h VAL 39 CO 0.07 0.00 0.88 0.00 0.02 0.00 0.00 177.57 178.55 1wgw h THR 41 N 0.10 0.26 -0.56 0.00 2.02 -1.62 0.15 112.91 113.26 1wgw h THR 41 Ca 0.80 0.00 0.09 0.00 0.77 0.00 0.00 66.41 68.07 1wgw h THR 41 Cb 2.58 0.26 -0.11 0.00 -1.74 0.00 0.00 68.15 69.14 1wgw h THR 41 CO -0.36 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.11 1wgw h ALA 42 N 0.59 -0.29 -0.25 6.16 0.00 0.25 1.64 119.26 127.36 1wgw h ALA 42 Ca 0.13 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1wgw h ALA 42 Cb 0.54 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1wgw h ALA 42 CO -0.45 -0.81 -0.16 -0.07 0.00 0.00 0.00 179.25 177.77 1wgw h LEU 43 N -0.23 -0.51 -1.20 0.00 -0.00 -1.25 0.33 115.31 112.45 1wgw h LEU 43 Ca 0.18 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.24 1wgw h LEU 43 Cb 0.56 0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 41.44 1wgw h LEU 43 CO -0.68 -0.19 0.56 -0.07 -0.00 0.00 0.00 178.44 178.06 1wgw h LEU 44 N -0.14 0.86 -0.11 1.67 3.38 0.20 0.54 115.31 121.72 1wgw h LEU 44 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wgw h LEU 44 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wgw h LEU 44 CO -0.34 0.56 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 1wgw n GLU 45 N -4.48 1.07 0.00 1.13 1.02 0.53 -4.30 120.64 115.61 1wgw n GLU 45 Ca 0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1wgw n GLU 45 Cb 0.19 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.67 0.09 0.00 0.62 0.00 0.18 -5.01 120.51 115.73 1wgw n ALA 46 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wgw n ALA 46 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.54 0.00 -4.77 0.00 2.03 -0.83 -5.08 116.55 107.36 1wgw n ASP 47 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1wgw n ASP 47 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1wgw n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wgw s VAL 48 N 0.00 4.33 0.04 5.18 1.01 -1.20 -5.07 120.40 124.69 1wgw s VAL 48 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 1wgw s VAL 48 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1wgw s VAL 48 CO 0.00 -0.11 1.41 0.21 0.00 0.00 0.00 175.10 176.61 1wgw s ASN 49 N -3.07 6.83 0.13 3.32 2.47 -1.26 -4.75 114.94 118.60 1wgw s ASN 49 Ca 0.30 2.21 -0.27 0.00 0.42 0.00 0.00 52.86 55.52 1wgw s ASN 49 Cb -0.10 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 1wgw s ASN 49 CO 0.22 -0.71 1.61 -0.29 -3.72 0.00 0.00 177.10 174.22 1wgw h ILE 50 N 4.69 0.28 -0.84 -5.21 -0.00 -1.97 0.63 117.51 115.09 1wgw h ILE 50 Ca -0.40 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 64.60 1wgw h ILE 50 Cb 1.19 0.28 -0.14 0.00 -0.00 0.00 0.00 36.82 38.14 1wgw h ILE 50 CO 0.89 0.00 -0.35 0.11 -0.00 0.00 0.00 178.15 178.80 1wgw h LYS 51 N -0.47 -0.06 -0.38 2.19 1.79 -1.99 0.72 116.57 118.37 1wgw h LYS 51 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1wgw h LYS 51 Cb 0.57 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1wgw h LYS 51 CO -0.29 -0.04 0.19 1.37 -1.08 0.00 0.00 179.45 179.59 1wgw h LEU 52 N -0.06 0.49 -1.14 2.94 8.10 -1.68 -1.86 115.31 122.11 1wgw h LEU 52 Ca 0.32 -0.12 0.22 0.00 0.11 0.00 0.00 57.88 58.40 1wgw h LEU 52 Cb 0.59 -0.13 -0.10 0.00 -0.44 0.00 0.00 40.66 40.58 1wgw h LEU 52 CO -0.87 0.47 0.62 0.58 -4.11 0.00 0.00 178.44 175.13 1wgw h VAL 53 N 0.47 0.63 0.00 0.15 2.07 0.58 1.72 116.25 121.88 1wgw h VAL 53 Ca 0.13 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1wgw h VAL 53 Cb 0.11 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1wgw h VAL 53 CO -0.02 0.11 -0.26 0.50 0.02 0.00 0.00 177.57 177.92 1wgw h LYS 54 N 0.61 0.00 0.00 1.57 3.64 0.66 -1.83 116.57 121.22 1wgw h LYS 54 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1wgw h LYS 54 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1wgw h LYS 54 CO -0.36 0.26 -0.41 0.00 -2.27 0.00 0.00 179.45 176.68 1wgw n GLN 55 N -3.52 0.22 -0.06 1.90 10.64 0.55 -3.89 117.38 123.22 1wgw n GLN 55 Ca -0.00 0.10 -0.05 0.00 -1.83 0.00 0.00 57.00 55.22 1wgw n GLN 55 Cb 0.42 -1.68 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1wgw h LEU 56 N 0.00 0.00 -0.91 2.61 6.46 0.36 -2.98 115.31 120.85 1wgw h LEU 56 Ca 0.00 -0.18 0.20 0.00 -0.12 0.00 0.00 57.88 57.78 1wgw h LEU 56 Cb 0.69 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.45 1wgw h LEU 56 CO 0.00 0.71 -0.15 -2.11 -0.62 0.00 0.00 178.44 176.27 1wgw n ARG 57 N -4.69 -0.08 0.29 1.25 1.85 -0.85 0.10 116.66 114.53 1wgw n ARG 57 Ca -0.06 1.41 -0.16 0.00 -1.00 0.00 0.00 57.85 58.05 1wgw n ARG 57 Cb 0.19 -2.14 -0.08 0.00 -1.05 0.00 0.00 32.46 29.37 1wgw n ARG 57 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1wgw h GLU 58 N 0.00 -0.70 -1.24 2.89 4.11 -1.71 -0.51 114.58 117.42 1wgw h GLU 58 Ca 0.47 0.05 0.36 0.00 0.07 0.00 0.00 59.36 60.31 1wgw h GLU 58 Cb 0.81 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 1wgw h GLU 58 CO -0.92 -0.41 0.84 -0.97 0.07 0.00 0.00 179.01 177.63 1wgw h ASN 59 N -0.90 0.21 -0.10 3.06 -0.73 -0.18 1.64 115.58 118.58 1wgw h ASN 59 Ca -0.07 0.06 -0.23 0.00 1.87 0.00 0.00 56.30 57.92 1wgw h ASN 59 Cb 0.62 0.03 0.01 0.00 0.27 0.00 0.00 38.32 39.26 1wgw h ASN 59 CO 0.12 -0.01 -0.84 0.58 -0.37 0.00 0.00 177.43 176.91 1wgw h VAL 60 N 0.15 1.28 0.00 2.57 2.07 0.11 -2.88 116.25 119.56 1wgw h VAL 60 Ca 0.67 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1wgw h VAL 60 Cb 2.21 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1wgw h VAL 60 CO -0.20 0.64 0.00 0.11 0.02 0.00 0.00 177.57 178.14 1wgw h LYS 61 N 0.50 0.00 0.00 1.57 1.57 0.37 -1.55 116.57 119.03 1wgw h LYS 61 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1wgw h LYS 61 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 1wgw h LYS 61 CO 0.17 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.48 1wgw n SER 62 N -3.02 0.00 -0.21 0.86 7.64 0.20 -2.52 113.62 116.57 1wgw n SER 62 Ca 0.01 -1.11 0.09 0.00 1.01 0.00 0.00 58.87 58.86 1wgw n SER 62 Cb 0.30 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.65 1wgw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgw n ALA 63 N -0.92 2.53 -3.46 -0.43 0.00 -0.58 -5.03 120.51 112.62 1wgw n ALA 63 Ca 0.19 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1wgw n ALA 63 Cb 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wgw n ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wgw n ILE 64 N -1.30 0.00 -3.09 0.00 2.08 -1.05 -4.88 119.36 111.12 1wgw n ILE 64 Ca 0.16 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.47 1wgw n ILE 64 Cb 0.66 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.54 1wgw n ILE 64 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1wgw s ASP 65 N -0.32 -1.46 -0.08 4.38 1.01 -1.26 -5.03 116.67 113.91 1wgw s ASP 65 Ca 0.00 -0.95 -0.24 0.00 0.71 0.00 0.00 52.55 52.06 1wgw s ASP 65 Cb 0.00 1.88 -0.20 0.00 1.01 0.00 0.00 42.92 45.60 1wgw s ASP 65 CO 0.00 -0.14 0.88 -0.07 0.21 0.00 0.00 175.17 176.05 1wgw h LEU 66 N 6.48 -0.05 -1.78 1.23 3.38 -1.95 -3.19 115.31 119.43 1wgw h LEU 66 Ca 0.05 -0.64 0.53 0.00 0.09 0.00 0.00 57.88 57.91 1wgw h LEU 66 Cb 1.17 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1wgw h LEU 66 CO 0.07 0.67 1.27 -1.84 0.09 0.00 0.00 178.44 178.70 1wgw n GLU 67 N -4.76 -0.00 -3.83 1.13 -0.00 -1.26 -2.49 120.64 109.42 1wgw n GLU 67 Ca -0.08 1.03 -0.34 0.00 -0.00 0.00 0.00 57.16 57.77 1wgw n GLU 67 Cb 0.33 -2.33 -0.12 0.00 -0.00 0.00 0.00 31.44 29.32 1wgw n GLU 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1wgw s GLU 68 N -4.78 2.14 -0.29 3.44 2.12 -1.20 -5.00 118.70 115.13 1wgw s GLU 68 Ca -0.05 -2.30 0.04 0.00 0.36 0.00 0.00 54.97 53.02 1wgw s GLU 68 Cb 0.26 -3.53 0.19 0.00 0.26 0.00 0.00 34.13 31.31 1wgw s GLU 68 CO 0.82 -1.10 0.55 -1.64 -0.54 0.00 0.00 175.26 173.35 1wgw s MET 69 N 0.30 0.53 -0.23 4.30 -1.94 -1.04 -4.85 119.30 116.37 1wgw s MET 69 Ca 0.14 0.57 0.03 0.00 -1.71 0.00 0.00 55.69 54.72 1wgw s MET 69 Cb -0.22 0.19 -0.16 0.00 2.01 0.00 0.00 34.83 36.65 1wgw s MET 69 CO -0.03 -0.94 -0.19 0.00 -0.01 0.00 0.00 175.02 173.85 1wgw n ALA 70 N 5.41 1.50 -0.61 3.03 0.00 -1.26 -4.94 120.51 123.63 1wgw n ALA 70 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1wgw n ALA 70 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1wgw n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgw n SER 71 N -3.15 0.00 0.00 0.00 7.64 -1.26 -4.93 113.62 111.92 1wgw n SER 71 Ca -0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1wgw n SER 71 Cb 0.96 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 72 N 2.82 0.39 0.00 0.23 0.00 -1.26 -4.02 105.19 103.35 1wgw n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wgw n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wgw n LEU 73 N 0.00 2.20 -0.17 0.99 4.32 -1.26 -3.49 117.00 119.59 1wgw n LEU 73 Ca 0.00 0.14 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1wgw n LEU 73 Cb 0.00 -0.12 0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1wgw n LEU 73 CO 0.00 -0.12 0.79 0.78 -1.22 0.00 0.00 177.39 177.63 1wgw h ASN 74 N 0.00 0.95 -0.09 -1.43 2.35 -1.99 -3.18 115.58 112.19 1wgw h ASN 74 Ca 0.00 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1wgw h ASN 74 Cb 0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1wgw h ASN 74 CO 0.00 1.04 -0.08 0.11 -1.65 0.00 0.00 177.43 176.85 1wgw h LYS 75 N 0.87 -0.04 -1.31 0.81 6.56 -1.97 1.12 116.57 122.61 1wgw h LYS 75 Ca 0.15 0.00 0.38 0.00 -1.06 0.00 0.00 60.65 60.12 1wgw h LYS 75 Cb 0.60 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.22 1wgw h LYS 75 CO 0.04 -0.02 1.04 0.00 -2.06 0.00 0.00 179.45 178.45 1wgw h ARG 76 N -0.04 0.00 0.00 3.15 2.47 -1.59 1.42 114.38 119.79 1wgw h ARG 76 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1wgw h ARG 76 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1wgw h ARG 76 CO -0.11 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.05 1wgw n LYS 77 N -3.89 0.00 0.06 0.04 5.02 0.33 -1.65 118.16 118.08 1wgw n LYS 77 Ca 0.29 0.43 0.21 0.00 -2.02 0.00 0.00 58.31 57.21 1wgw n LYS 77 Cb 1.46 -1.08 0.74 0.00 -0.02 0.00 0.00 35.03 36.13 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgw h MET 78 N 0.00 0.00 -0.01 1.97 -0.00 0.12 0.34 114.93 117.34 1wgw h MET 78 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1wgw h MET 78 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1wgw h MET 78 CO 0.00 0.00 -0.01 0.82 -0.00 0.00 0.00 176.91 177.72 1wgw h ILE 79 N 0.00 1.39 0.00 -0.10 2.04 0.18 0.92 117.51 121.94 1wgw h ILE 79 Ca 0.21 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1wgw h ILE 79 Cb 1.05 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1wgw h ILE 79 CO -0.00 0.31 0.00 -0.61 0.00 0.00 0.00 178.15 177.84 1wgw h GLN 80 N -0.44 0.00 0.00 2.37 4.15 -0.00 -1.99 115.11 119.20 1wgw h GLN 80 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 1wgw h GLN 80 Cb 0.51 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1wgw h GLN 80 CO 0.00 0.00 -1.24 1.58 -1.93 0.00 0.00 178.83 177.24 1wgw n HIS 81 N -3.07 0.70 -0.26 3.99 -0.00 -0.78 -3.93 115.22 111.88 1wgw n HIS 81 Ca -0.03 0.30 -0.09 0.00 0.46 0.00 0.00 57.72 58.36 1wgw n HIS 81 Cb 0.07 -0.92 -0.08 0.00 -0.12 0.00 0.00 29.99 28.95 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 -0.79 -0.50 -0.03 1.57 0.00 0.12 1.40 119.26 121.03 1wgw h ALA 82 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wgw h ALA 82 Cb 1.09 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1wgw h ALA 82 CO -0.16 -0.79 0.00 0.28 0.00 0.00 0.00 179.25 178.57 1wgw n VAL 83 N -4.75 0.00 -0.17 0.00 0.31 -0.78 -0.76 118.33 112.18 1wgw n VAL 83 Ca 0.00 1.49 -0.05 0.00 -0.01 0.00 0.00 64.34 65.78 1wgw n VAL 83 Cb 0.22 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.11 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 -0.73 -0.26 3.52 -1.00 -1.44 -2.09 116.94 114.94 1wgw h PHE 84 Ca 0.00 0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.87 1wgw h PHE 84 Cb 0.00 0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 1wgw h PHE 84 CO -0.79 -0.35 -0.16 0.87 -1.61 0.00 0.00 178.31 176.27 1wgw h LYS 85 N -0.14 -0.01 -0.98 1.51 1.57 0.32 1.13 116.57 119.97 1wgw h LYS 85 Ca 0.23 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1wgw h LYS 85 Cb 0.52 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.68 1wgw h LYS 85 CO -0.62 -0.01 -0.41 0.39 -0.57 0.00 0.00 179.45 178.23 1wgw n GLU 86 N -3.61 -0.26 -0.01 3.15 -0.58 0.06 0.67 120.64 120.06 1wgw n GLU 86 Ca 0.00 1.51 -0.09 0.00 -0.42 0.00 0.00 57.16 58.16 1wgw n GLU 86 Cb 0.07 -2.24 -0.04 0.00 -0.57 0.00 0.00 31.44 28.67 1wgw n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wgw h LEU 87 N 0.00 -0.20 -0.33 -4.62 3.38 -0.29 -0.28 115.31 112.97 1wgw h LEU 87 Ca 0.31 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.40 1wgw h LEU 87 Cb 0.56 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1wgw h LEU 87 CO -0.97 -0.08 -0.45 0.58 0.09 0.00 0.00 178.44 177.61 1wgw h VAL 88 N -0.04 0.10 0.06 1.22 2.07 0.70 -2.28 116.25 118.08 1wgw h VAL 88 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1wgw h VAL 88 Cb 0.15 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1wgw h VAL 88 CO -0.17 0.00 -0.30 0.11 0.02 0.00 0.00 177.57 177.23 1wgw h LYS 89 N -0.39 -0.41 -5.89 1.57 1.57 -0.10 -3.34 116.57 109.58 1wgw h LYS 89 Ca 0.11 0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 58.45 1wgw h LYS 89 Cb 0.60 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1wgw h LYS 89 CO -0.53 -0.27 1.31 0.14 -0.57 0.00 0.00 179.45 179.52 1wgw s VAL 90 N -4.56 3.31 0.43 0.50 -7.23 -0.16 -4.73 120.40 107.97 1wgw s VAL 90 Ca -0.09 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1wgw s VAL 90 Cb 0.03 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1wgw s VAL 90 CO 0.34 -0.77 0.00 1.17 -0.31 0.00 0.00 175.10 175.53 1wgw n LYS 91 N 9.13 -2.95 -1.67 4.82 4.81 -1.25 -4.66 118.16 126.38 1wgw n LYS 91 Ca 0.25 2.15 -0.45 0.00 -0.87 0.00 0.00 58.31 59.39 1wgw n LYS 91 Cb 0.52 -3.56 -0.03 0.00 0.02 0.00 0.00 35.03 31.97 1wgw n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wgw n VAL 92 N -4.18 0.68 -0.33 3.15 0.31 -1.26 -4.26 118.33 112.44 1wgw n VAL 92 Ca -0.03 -0.17 0.23 0.00 -0.01 0.00 0.00 64.34 64.36 1wgw n VAL 92 Cb 0.67 -1.47 0.43 0.00 -0.91 0.00 0.00 33.84 32.56 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgw n TYR 93 N 2.30 0.88 -2.65 3.52 4.11 -1.26 -4.78 117.16 119.29 1wgw n TYR 93 Ca 0.13 1.17 -0.03 0.00 -0.00 0.00 0.00 57.90 59.17 1wgw n TYR 93 Cb 0.30 -1.39 -0.03 0.00 -0.00 0.00 0.00 39.34 38.22 1wgw n TYR 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wgw n SER 94 N -5.35 -3.52 0.00 9.48 2.88 -1.26 -4.69 113.62 111.17 1wgw n SER 94 Ca 0.30 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1wgw n SER 94 Cb 1.00 -5.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 95 N 1.30 0.37 0.07 0.46 0.00 -1.26 -3.98 105.19 102.15 1wgw n GLY 95 Ca -0.25 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1wgw n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgw h PRO 96 N 0.00 0.04 -3.37 1.61 0.13 -1.91 -3.48 132.00 125.02 1wgw h PRO 96 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1wgw h PRO 96 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wgw h PRO 96 CO 0.00 0.78 -0.71 0.45 -0.23 0.00 0.00 178.00 178.29 1wgw n SER 97 N -4.69 -7.23 -3.95 1.44 2.88 -1.26 -5.09 113.62 95.73 1wgw n SER 97 Ca -0.09 1.01 -0.09 0.00 -1.33 0.00 0.00 58.87 58.37 1wgw n SER 97 Cb 0.39 -3.88 -0.08 0.00 -0.75 0.00 0.00 64.21 59.89 1wgw n SER 97 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgw s SER 98 N -0.70 0.15 0.00 -3.46 1.04 -1.26 -5.27 113.70 104.19 1wgw s SER 98 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1wgw s SER 98 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wgw s SER 98 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05