#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 0.00 0.00 1.61 7.64 -1.26 -4.96 113.62 116.65 1wgw n SER 2 Ca 0.00 0.13 -0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wgw n SER 2 Cb 0.00 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1wgw n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgw n SER 3 N -0.81 0.10 -3.62 6.43 2.88 -1.26 -5.05 113.62 112.29 1wgw n SER 3 Ca 0.00 0.01 -0.26 0.00 -1.33 0.00 0.00 58.87 57.29 1wgw n SER 3 Cb 0.00 -0.12 0.03 0.00 -0.75 0.00 0.00 64.21 63.37 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 3.11 -1.09 2.71 0.46 0.00 -1.26 -4.95 105.19 104.17 1wgw n GLY 4 Ca -0.00 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1wgw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgw n SER 5 N -2.51 -2.11 -4.57 1.61 2.88 -1.26 -5.07 113.62 102.58 1wgw n SER 5 Ca -0.12 -2.63 -0.37 0.00 -1.33 0.00 0.00 58.87 54.42 1wgw n SER 5 Cb 0.59 1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 65.37 1wgw n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgw s SER 6 N -0.99 6.10 -0.07 -3.46 0.15 -1.26 -4.50 113.70 109.66 1wgw s SER 6 Ca 0.28 -1.89 -0.00 0.00 0.70 0.00 0.00 55.95 55.04 1wgw s SER 6 Cb 0.23 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wgw s SER 6 CO -0.16 -1.93 0.01 0.61 1.20 0.00 0.00 173.24 172.96 1wgw n GLY 7 N 5.90 -1.06 0.15 9.45 0.00 -1.26 -4.55 105.19 113.81 1wgw n GLY 7 Ca 0.44 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw h ALA 8 N 3.61 -0.26 -0.21 4.61 0.00 -1.99 -0.90 119.26 124.13 1wgw h ALA 8 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1wgw h ALA 8 Cb 0.72 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wgw h ALA 8 CO 0.02 -0.35 -0.34 0.38 0.00 0.00 0.00 179.25 178.96 1wgw h ASP 9 N -0.85 0.45 0.08 0.00 2.03 -1.97 -1.74 116.42 114.42 1wgw h ASP 9 Ca -0.03 -0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1wgw h ASP 9 Cb 0.52 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1wgw h ASP 9 CO 0.04 0.76 -0.04 -0.07 -1.03 0.00 0.00 179.24 178.91 1wgw h LEU 10 N 0.37 -0.09 -1.85 0.15 3.38 -1.90 -1.59 115.31 113.78 1wgw h LEU 10 Ca 0.04 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1wgw h LEU 10 Cb 0.78 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1wgw h LEU 10 CO 0.06 -0.07 0.48 1.23 0.09 0.00 0.00 178.44 180.24 1wgw h GLY 11 N -0.11 0.00 2.00 0.83 0.00 -1.21 1.22 103.07 105.79 1wgw h GLY 11 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1wgw h GLY 11 CO 0.02 0.00 -0.28 3.21 0.00 0.00 0.00 176.54 179.49 1wgw h ARG 12 N 0.00 0.00 -0.12 4.80 3.08 -0.91 0.73 114.38 121.97 1wgw h ARG 12 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.99 1wgw h ARG 12 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.17 1wgw h ARG 12 CO -0.00 0.28 -0.72 0.87 -1.07 0.00 0.00 179.97 179.33 1wgw h LYS 13 N 0.00 0.70 0.14 0.04 1.57 0.25 -3.11 116.57 116.16 1wgw h LYS 13 Ca -0.00 -0.59 -0.23 0.00 -1.87 0.00 0.00 60.65 57.95 1wgw h LYS 13 Cb 0.92 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1wgw h LYS 13 CO 0.04 1.20 -1.10 0.82 -0.57 0.00 0.00 179.45 179.84 1wgw h ILE 14 N 0.38 1.30 -0.94 1.86 2.04 -1.41 -3.23 117.51 117.51 1wgw h ILE 14 Ca -0.06 -2.49 0.27 0.00 1.00 0.00 0.00 64.86 63.59 1wgw h ILE 14 Cb 1.36 2.99 -0.04 0.00 -0.74 0.00 0.00 36.82 40.40 1wgw h ILE 14 CO 0.15 0.71 0.91 0.74 0.00 0.00 0.00 178.15 180.66 1wgw h THR 15 N -0.32 0.20 0.17 -0.27 2.02 0.40 1.46 112.91 116.58 1wgw h THR 15 Ca -0.22 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.64 1wgw h THR 15 Cb 1.72 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1wgw h THR 15 CO 0.12 0.00 -1.53 -1.28 0.37 0.00 0.00 175.52 173.20 1wgw h SER 16 N 0.00 0.57 0.83 4.18 0.87 -1.59 -3.09 113.55 115.31 1wgw h SER 16 Ca 0.45 -0.72 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 1wgw h SER 16 Cb 2.25 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1wgw h SER 16 CO -0.00 1.59 -0.49 0.00 -0.53 0.00 0.00 176.83 177.40 1wgw h ALA 17 N 0.32 -1.27 -0.87 6.23 0.00 0.20 -1.14 119.26 122.72 1wgw h ALA 17 Ca -0.26 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.61 1wgw h ALA 17 Cb 2.07 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 20.40 1wgw h ALA 17 CO 0.20 -1.23 0.59 -0.07 0.00 0.00 0.00 179.25 178.74 1wgw h LEU 18 N -1.23 0.30 -0.10 0.00 3.38 -1.40 0.95 115.31 117.22 1wgw h LEU 18 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wgw h LEU 18 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1wgw h LEU 18 CO 0.12 0.12 0.05 -0.09 0.09 0.00 0.00 178.44 178.74 1wgw h ARG 19 N 0.30 0.11 -0.96 1.13 2.43 -1.23 -1.03 114.38 115.14 1wgw h ARG 19 Ca 0.45 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.89 1wgw h ARG 19 Cb 1.26 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1wgw h ARG 19 CO -0.13 0.07 0.89 1.03 -1.51 0.00 0.00 179.97 180.32 1wgw h SER 20 N 0.11 0.00 0.12 -3.80 0.87 0.38 0.25 113.55 111.48 1wgw h SER 20 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1wgw h SER 20 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wgw h SER 20 CO -0.02 0.00 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.15 1wgw h LEU 21 N 0.00 -0.13 -1.84 2.23 3.38 -1.17 0.15 115.31 117.92 1wgw h LEU 21 Ca 0.45 -0.22 0.26 0.00 0.09 0.00 0.00 57.88 58.47 1wgw h LEU 21 Cb 2.22 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.97 1wgw h LEU 21 CO -0.00 0.44 0.78 -1.28 0.09 0.00 0.00 178.44 178.47 1wgw h SER 22 N -1.00 0.00 0.49 -0.43 0.87 -0.22 1.40 113.55 114.66 1wgw h SER 22 Ca -0.02 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.27 1wgw h SER 22 Cb 0.35 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1wgw h SER 22 CO 0.03 0.00 -1.71 0.59 -0.53 0.00 0.00 176.83 175.21 1wgw n ASN 23 N -3.87 0.80 -4.75 6.23 3.02 -0.20 -4.89 115.26 111.59 1wgw n ASN 23 Ca 0.19 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.71 1wgw n ASN 23 Cb 1.09 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.65 3.66 -0.15 5.41 0.00 0.48 -4.91 121.76 123.60 1wgw s ALA 24 Ca -0.05 1.46 0.18 0.00 0.00 0.00 0.00 51.96 53.55 1wgw s ALA 24 Cb 0.08 -3.60 -0.25 0.00 0.00 0.00 0.00 23.12 19.35 1wgw s ALA 24 CO 0.82 -0.88 0.16 2.41 0.00 0.00 0.00 175.76 178.27 1wgw n THR 25 N 1.84 0.96 0.00 0.00 -1.04 -1.26 -4.66 114.28 110.12 1wgw n THR 25 Ca 0.06 -0.71 -0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1wgw n THR 25 Cb 0.39 -0.36 -0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -4.57 12.58 1.08 -1.94 -3.50 117.51 121.16 1wgw h ILE 26 Ca -0.38 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1wgw h ILE 26 Cb 1.85 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.53 1wgw h ILE 26 CO 0.02 0.00 -1.18 -0.38 -0.69 0.00 0.00 178.15 175.92 1wgw n ILE 27 N -2.23-11.84 -2.67 -0.67 2.08 -1.26 -5.09 119.36 97.69 1wgw n ILE 27 Ca -0.00 2.59 0.00 0.00 0.56 0.00 0.00 62.75 65.90 1wgw n ILE 27 Cb 0.01 -5.99 0.00 0.00 -0.75 0.00 0.00 39.64 32.91 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 1.53 0.00 -0.27 4.38 0.23 -1.26 -4.99 115.26 114.89 1wgw n ASN 28 Ca -0.22 -0.64 0.05 0.00 -0.53 0.00 0.00 54.58 53.24 1wgw n ASN 28 Cb 0.34 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.52 0.29 -3.83 4.81 -1.98 -1.62 114.58 112.77 1wgw h GLU 29 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1wgw h GLU 29 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1wgw h GLU 29 CO 0.00 0.35 -0.22 1.49 -0.73 0.00 0.00 179.01 179.90 1wgw h GLU 30 N 0.54 -0.46 -0.97 1.92 4.57 -1.97 0.49 114.58 118.70 1wgw h GLU 30 Ca 0.41 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.74 1wgw h GLU 30 Cb 0.56 0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 29.12 1wgw h GLU 30 CO -0.35 -0.31 -0.48 0.28 -1.18 0.00 0.00 179.01 176.97 1wgw n VAL 31 N -3.63 -0.58 -0.12 0.32 0.31 -1.02 0.18 118.33 113.79 1wgw n VAL 31 Ca -0.06 2.30 -0.05 0.00 -0.01 0.00 0.00 64.34 66.53 1wgw n VAL 31 Cb 0.21 -2.94 0.03 0.00 -0.91 0.00 0.00 33.84 30.23 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 -0.07 0.75 7.52 6.46 -1.13 1.55 115.31 130.39 1wgw h LEU 32 Ca 0.24 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1wgw h LEU 32 Cb 0.49 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1wgw h LEU 32 CO -0.93 -0.00 -0.50 0.78 -0.62 0.00 0.00 178.44 177.16 1wgw h ASN 33 N 0.16 -1.29 0.42 1.25 2.35 0.60 0.87 115.58 119.93 1wgw h ASN 33 Ca 0.19 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1wgw h ASN 33 Cb 0.25 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1wgw h ASN 33 CO -0.29 -0.75 -0.48 0.00 -1.65 0.00 0.00 177.43 174.27 1wgw h ALA 34 N -1.12 -1.11 -0.58 -0.83 0.00 0.23 -2.52 119.26 113.34 1wgw h ALA 34 Ca -0.10 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1wgw h ALA 34 Cb 0.96 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 1wgw h ALA 34 CO 0.07 -1.15 -0.24 1.98 0.00 0.00 0.00 179.25 179.91 1wgw h MET 35 N -0.91 -0.09 -0.97 0.00 1.85 0.23 -0.46 114.93 114.58 1wgw h MET 35 Ca -0.05 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.17 1wgw h MET 35 Cb 0.80 0.02 -0.14 0.00 0.43 0.00 0.00 31.60 32.71 1wgw h MET 35 CO -0.09 -0.06 -0.46 -0.07 -0.40 0.00 0.00 176.91 175.83 1wgw h LEU 36 N -0.09 -1.68 -0.48 3.39 3.38 0.12 0.46 115.31 120.40 1wgw h LEU 36 Ca 0.26 0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.62 1wgw h LEU 36 Cb 0.51 0.82 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 1wgw h LEU 36 CO -0.64 -0.27 -0.44 0.50 0.09 0.00 0.00 178.44 177.67 1wgw h LYS 37 N -0.01 -0.28 -0.99 1.13 3.64 -0.68 1.60 116.57 120.98 1wgw h LYS 37 Ca 0.28 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.95 1wgw h LYS 37 Cb 0.53 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1wgw h LYS 37 CO -0.96 -0.18 0.70 0.93 -2.27 0.00 0.00 179.45 177.67 1wgw h GLU 38 N -0.29 0.11 0.00 1.90 4.39 0.06 0.59 114.58 121.34 1wgw h GLU 38 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1wgw h GLU 38 Cb 0.57 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wgw h GLU 38 CO -0.63 0.07 -0.05 0.28 -1.16 0.00 0.00 179.01 177.53 1wgw h VAL 39 N 0.11 0.00 -0.96 3.13 2.07 0.28 -3.22 116.25 117.67 1wgw h VAL 39 Ca 0.49 -0.70 0.29 0.00 0.82 0.00 0.00 66.70 67.60 1wgw h VAL 39 Cb 1.75 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.35 1wgw h VAL 39 CO -0.07 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.70 1wgw h THR 41 N 0.07 0.42 -0.82 0.00 2.02 0.03 0.95 112.91 115.58 1wgw h THR 41 Ca 0.63 0.00 0.20 0.00 0.77 0.00 0.00 66.41 68.01 1wgw h THR 41 Cb 1.37 0.42 -0.14 0.00 -1.74 0.00 0.00 68.15 68.06 1wgw h THR 41 CO -0.81 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.14 1wgw h ALA 42 N 1.15 0.96 0.02 6.16 0.00 0.85 1.67 119.26 130.07 1wgw h ALA 42 Ca 0.19 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1wgw h ALA 42 Cb 0.42 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wgw h ALA 42 CO -0.47 -0.45 -0.01 -0.07 0.00 0.00 0.00 179.25 178.25 1wgw h LEU 43 N 0.12 -0.02 -1.57 0.00 -0.00 -0.67 -1.90 115.31 111.27 1wgw h LEU 43 Ca 0.47 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 58.26 1wgw h LEU 43 Cb 0.89 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.53 1wgw h LEU 43 CO -0.70 0.12 0.33 -0.07 -0.00 0.00 0.00 178.44 178.12 1wgw h LEU 44 N -0.16 0.48 0.00 1.67 3.38 0.16 0.51 115.31 121.35 1wgw h LEU 44 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wgw h LEU 44 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wgw h LEU 44 CO 0.00 0.33 0.00 -0.62 0.09 0.00 0.00 178.44 178.25 1wgw n GLU 45 N -4.47 0.75 0.00 1.13 1.02 0.53 -4.20 120.64 115.40 1wgw n GLU 45 Ca 0.06 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1wgw n GLU 45 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.04 0.29 0.00 0.62 0.00 0.17 -5.03 120.51 115.52 1wgw n ALA 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 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 -0.79 0.00 -4.28 0.00 2.03 -0.76 -5.10 116.55 107.65 1wgw n ASP 47 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1wgw n ASP 47 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.77 0.23 5.18 1.01 -1.24 -5.05 120.40 121.29 1wgw s VAL 48 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 59.77 1wgw s VAL 48 Cb 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 1wgw s VAL 48 CO 0.00 -0.38 0.76 0.21 0.00 0.00 0.00 175.10 175.69 1wgw s ASN 49 N -3.23 7.13 0.18 3.32 3.04 -1.26 -4.84 114.94 119.28 1wgw s ASN 49 Ca 0.27 1.49 -0.07 0.00 0.04 0.00 0.00 52.86 54.60 1wgw s ASN 49 Cb 0.06 -2.45 0.07 0.00 -1.54 0.00 0.00 41.25 37.39 1wgw s ASN 49 CO 0.06 0.04 1.52 -0.29 -3.04 0.00 0.00 177.10 175.40 1wgw h ILE 50 N 2.80 1.29 -0.65 -5.21 6.09 -2.01 1.28 117.51 121.09 1wgw h ILE 50 Ca -0.48 -1.58 -0.04 0.00 -1.37 0.00 0.00 64.86 61.39 1wgw h ILE 50 Cb 1.19 1.47 -0.03 0.00 0.47 0.00 0.00 36.82 39.93 1wgw h ILE 50 CO 0.65 0.52 0.26 0.11 -3.07 0.00 0.00 178.15 176.62 1wgw h LYS 51 N 0.63 0.95 0.09 2.19 1.79 -1.99 -0.08 116.57 120.15 1wgw h LYS 51 Ca 0.05 -0.15 -0.15 0.00 -2.18 0.00 0.00 60.65 58.21 1wgw h LYS 51 Cb 0.96 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1wgw h LYS 51 CO 0.09 0.78 -0.73 1.37 -1.08 0.00 0.00 179.45 179.88 1wgw h LEU 52 N 0.94 0.30 -1.79 2.94 8.10 -1.90 -3.05 115.31 120.85 1wgw h LEU 52 Ca 0.22 -0.92 0.25 0.00 0.11 0.00 0.00 57.88 57.54 1wgw h LEU 52 Cb 0.18 -0.10 -0.05 0.00 -0.44 0.00 0.00 40.66 40.25 1wgw h LEU 52 CO -0.02 1.33 0.64 0.58 -4.11 0.00 0.00 178.44 176.86 1wgw h VAL 53 N -0.57 0.58 0.00 0.15 2.07 0.18 1.58 116.25 120.24 1wgw h VAL 53 Ca -0.15 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1wgw h VAL 53 Cb 1.47 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1wgw h VAL 53 CO 0.07 0.03 -0.61 0.50 0.02 0.00 0.00 177.57 177.58 1wgw h LYS 54 N 0.16 0.00 0.00 1.57 3.64 -1.06 -2.87 116.57 118.02 1wgw h LYS 54 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1wgw h LYS 54 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1wgw h LYS 54 CO -0.09 0.61 -0.01 0.00 -2.27 0.00 0.00 179.45 177.70 1wgw n GLN 55 N -3.40 0.18 -0.03 1.90 10.64 0.52 -3.55 117.38 123.63 1wgw n GLN 55 Ca 0.01 0.14 -0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1wgw n GLN 55 Cb 0.72 -1.70 -0.00 0.00 -0.86 0.00 0.00 30.24 28.39 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 -0.93 2.61 6.46 -0.67 -2.83 115.31 119.95 1wgw h LEU 56 Ca 0.00 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.94 1wgw h LEU 56 Cb 0.66 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.42 1wgw h LEU 56 CO 0.00 0.32 -0.26 -2.11 -0.62 0.00 0.00 178.44 175.78 1wgw n ARG 57 N -3.73 -0.11 0.27 1.25 1.85 -1.17 0.10 116.66 115.12 1wgw n ARG 57 Ca -0.00 1.45 -0.16 0.00 -1.00 0.00 0.00 57.85 58.14 1wgw n ARG 57 Cb 0.01 -2.17 -0.08 0.00 -1.05 0.00 0.00 32.46 29.17 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 -0.68 -0.59 2.89 -0.00 -1.71 0.61 114.58 115.10 1wgw h GLU 58 Ca 0.43 0.05 0.15 0.00 -0.00 0.00 0.00 59.36 59.98 1wgw h GLU 58 Cb 0.66 0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 29.53 1wgw h GLU 58 CO -0.95 -0.45 0.41 -0.91 -0.00 0.00 0.00 179.01 177.11 1wgw h ASN 59 N -0.70 0.13 -0.06 3.06 2.35 0.07 0.15 115.58 120.57 1wgw h ASN 59 Ca -0.05 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1wgw h ASN 59 Cb 0.58 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1wgw h ASN 59 CO 0.05 0.07 -0.33 0.58 -1.65 0.00 0.00 177.43 176.14 1wgw h VAL 60 N 0.13 1.43 -0.07 2.81 2.07 0.18 -3.03 116.25 119.77 1wgw h VAL 60 Ca 0.28 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 66.06 1wgw h VAL 60 Cb 0.94 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1wgw h VAL 60 CO -0.04 0.51 0.05 0.11 0.02 0.00 0.00 177.57 178.22 1wgw h LYS 61 N -0.18 0.00 0.00 1.57 1.57 0.24 0.45 116.57 120.23 1wgw h LYS 61 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wgw h LYS 61 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1wgw h LYS 61 CO 0.07 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.38 1wgw n SER 62 N -4.42 0.23 -1.81 0.86 7.64 0.29 -1.75 113.62 114.66 1wgw n SER 62 Ca -0.01 0.56 -0.15 0.00 1.01 0.00 0.00 58.87 60.27 1wgw n SER 62 Cb 0.16 -0.61 0.20 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.59 5.03 -3.09 -0.43 0.00 0.16 -4.95 120.51 115.64 1wgw n ALA 63 Ca 0.03 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1wgw n ALA 63 Cb 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.07 0.00 -3.09 0.00 2.08 -0.72 -4.91 119.36 111.65 1wgw n ILE 64 Ca 0.48 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.82 1wgw n ILE 64 Cb 1.41 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 40.30 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 -0.15 -1.14 -0.05 4.38 1.01 -1.26 -5.03 116.67 114.43 1wgw s ASP 65 Ca 0.00 -0.28 -0.19 0.00 0.71 0.00 0.00 52.55 52.79 1wgw s ASP 65 Cb 0.00 1.56 -0.31 0.00 1.01 0.00 0.00 42.92 45.18 1wgw s ASP 65 CO 0.00 -0.16 0.80 -0.07 0.21 0.00 0.00 175.17 175.95 1wgw h LEU 66 N 6.96 0.50 -0.99 1.23 3.38 -1.99 -3.31 115.31 121.08 1wgw h LEU 66 Ca -0.00 -0.92 0.36 0.00 0.09 0.00 0.00 57.88 57.40 1wgw h LEU 66 Cb 1.19 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1wgw h LEU 66 CO 0.05 1.51 0.52 1.05 0.09 0.00 0.00 178.44 181.66 1wgw h GLU 67 N -0.27 0.16 0.00 1.13 4.11 -2.02 -3.37 114.58 114.31 1wgw h GLU 67 Ca -0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1wgw h GLU 67 Cb 1.76 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1wgw h GLU 67 CO 0.14 0.11 0.00 0.39 0.07 0.00 0.00 179.01 179.72 1wgw n GLU 68 N -5.17 0.23 -1.99 1.06 1.02 -1.25 -5.03 120.64 109.51 1wgw n GLU 68 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1wgw n GLU 68 Cb 1.09 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.51 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1wgw n MET 69 N 0.00 -4.39 0.00 3.49 2.81 -1.26 -5.03 117.12 112.74 1wgw n MET 69 Ca 0.00 3.25 0.00 0.00 -1.81 0.00 0.00 57.70 59.14 1wgw n MET 69 Cb 0.00 -3.80 0.00 0.00 -0.71 0.00 0.00 33.22 28.71 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 1.52 0.00 -2.26 3.04 0.00 -1.26 -5.12 120.51 116.43 1wgw n ALA 70 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1wgw n ALA 70 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1wgw n ALA 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wgw s SER 71 N -1.33 1.69 0.01 0.00 0.01 -1.26 -5.03 113.70 107.79 1wgw s SER 71 Ca 0.00 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.17 1wgw s SER 71 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wgw s SER 71 CO 0.00 -0.41 0.01 0.61 0.41 0.00 0.00 173.24 173.86 1wgw n GLY 72 N -0.25 -5.23 2.19 3.44 0.00 -1.26 -4.74 105.19 99.35 1wgw n GLY 72 Ca -0.09 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 1.46 6.42 0.02 0.99 7.99 -1.26 -4.05 117.00 128.56 1wgw n LEU 73 Ca -0.02 -3.72 0.11 0.00 -0.01 0.00 0.00 56.01 52.36 1wgw n LEU 73 Cb 0.03 -1.41 -0.09 0.00 -0.11 0.00 0.00 43.42 41.85 1wgw n LEU 73 CO 0.02 1.81 -0.34 -0.46 -1.51 0.00 0.00 177.39 176.91 1wgw n ASN 74 N 2.35 0.43 0.04 -1.43 6.94 -1.26 -4.47 115.26 117.86 1wgw n ASN 74 Ca 0.53 -0.17 -0.03 0.00 -0.02 0.00 0.00 54.58 54.89 1wgw n ASN 74 Cb 0.66 1.32 -0.01 0.00 -2.36 0.00 0.00 39.78 39.38 1wgw n ASN 74 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1wgw h LYS 75 N 0.00 -0.14 -0.98 -3.83 6.56 -1.92 0.64 116.57 116.90 1wgw h LYS 75 Ca 0.00 0.01 0.39 0.00 -1.06 0.00 0.00 60.65 59.99 1wgw h LYS 75 Cb 0.85 0.03 -0.16 0.00 -0.57 0.00 0.00 32.23 32.38 1wgw h LYS 75 CO 0.00 -0.09 0.55 0.54 -2.06 0.00 0.00 179.45 178.39 1wgw n ARG 76 N -2.78 -0.05 0.00 3.15 1.74 -1.26 0.19 116.66 117.65 1wgw n ARG 76 Ca -0.02 1.23 0.00 0.00 -0.77 0.00 0.00 57.85 58.29 1wgw n ARG 76 Cb 0.07 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 1wgw n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wgw n LYS 77 N -4.95 0.00 0.27 5.56 4.76 -0.62 0.28 118.16 123.46 1wgw n LYS 77 Ca 0.35 0.41 0.14 0.00 -2.87 0.00 0.00 58.31 56.33 1wgw n LYS 77 Cb 1.22 -1.30 0.72 0.00 -1.84 0.00 0.00 35.03 33.84 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgw h MET 78 N 0.00 0.00 0.00 1.97 -0.00 0.13 0.81 114.93 117.83 1wgw h MET 78 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 1wgw h MET 78 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 1wgw h MET 78 CO 0.00 0.00 -1.32 0.82 -0.00 0.00 0.00 176.91 176.41 1wgw h ILE 79 N 0.00 1.26 0.00 -0.10 2.04 0.23 -1.03 117.51 119.91 1wgw h ILE 79 Ca 0.00 -3.02 -0.08 0.00 1.00 0.00 0.00 64.86 62.76 1wgw h ILE 79 Cb 0.48 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1wgw h ILE 79 CO 0.00 0.72 -0.40 0.06 0.00 0.00 0.00 178.15 178.53 1wgw h GLN 80 N 0.00 0.00 0.07 2.37 -0.00 0.52 -3.13 115.11 114.94 1wgw h GLN 80 Ca -0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.16 1wgw h GLN 80 Cb 1.86 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 29.31 1wgw h GLN 80 CO 0.10 0.40 -2.04 1.58 -0.00 0.00 0.00 178.83 178.87 1wgw n HIS 81 N -3.66 0.90 -0.40 0.06 -0.00 -0.92 -3.79 115.22 107.41 1wgw n HIS 81 Ca -0.01 0.23 -0.05 0.00 0.46 0.00 0.00 57.72 58.35 1wgw n HIS 81 Cb 0.49 -1.13 -0.01 0.00 -0.12 0.00 0.00 29.99 29.22 1wgw n HIS 81 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wgw n ALA 82 N -2.92 -0.31 0.40 1.57 0.00 -0.39 0.18 120.51 119.04 1wgw n ALA 82 Ca -0.31 0.94 -0.16 0.00 0.00 0.00 0.00 53.44 53.92 1wgw n ALA 82 Cb 1.05 -0.33 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 1wgw n ALA 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wgw h VAL 83 N 0.00 0.00 -0.93 0.00 2.07 -1.74 -2.98 116.25 112.67 1wgw h VAL 83 Ca 0.28 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 67.96 1wgw h VAL 83 Cb 0.53 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.12 1wgw h VAL 83 CO -0.97 0.00 -0.18 -0.26 0.02 0.00 0.00 177.57 176.18 1wgw h PHE 84 N -1.06 -0.40 -0.62 1.57 -1.00 -1.21 0.14 116.94 114.36 1wgw h PHE 84 Ca -0.10 0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.82 1wgw h PHE 84 Cb 0.78 0.32 -0.09 0.00 3.61 0.00 0.00 35.95 40.57 1wgw h PHE 84 CO 0.05 -0.39 -0.55 -0.22 -1.61 0.00 0.00 178.31 175.59 1wgw h LYS 85 N 0.01 -0.22 -0.72 1.51 3.64 0.21 0.42 116.57 121.42 1wgw h LYS 85 Ca 0.46 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 60.02 1wgw h LYS 85 Cb 0.76 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.51 1wgw h LYS 85 CO -0.93 -0.14 0.06 0.93 -2.27 0.00 0.00 179.45 177.09 1wgw h GLU 86 N -0.22 0.15 -0.69 1.90 4.39 -0.61 0.84 114.58 120.34 1wgw h GLU 86 Ca 0.10 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1wgw h GLU 86 Cb 0.49 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1wgw h GLU 86 CO -0.70 0.10 0.45 -0.07 -1.16 0.00 0.00 179.01 177.63 1wgw h LEU 87 N 0.15 0.61 -0.10 1.33 3.38 0.19 0.74 115.31 121.61 1wgw h LEU 87 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1wgw h LEU 87 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wgw h LEU 87 CO -0.59 0.39 0.00 0.52 0.09 0.00 0.00 178.44 178.85 1wgw n VAL 88 N -4.48 0.88 -3.81 1.22 0.31 0.28 -3.81 118.33 108.93 1wgw n VAL 88 Ca 0.10 0.22 -0.28 0.00 -0.01 0.00 0.00 64.34 64.36 1wgw n VAL 88 Cb 0.24 -0.97 -0.12 0.00 -0.91 0.00 0.00 33.84 32.08 1wgw n VAL 88 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wgw s LYS 89 N -3.05 2.05 0.00 5.55 1.02 0.26 -4.76 119.74 120.81 1wgw s LYS 89 Ca 0.07 -2.95 0.00 0.00 0.02 0.00 0.00 55.97 53.11 1wgw s LYS 89 Cb 0.10 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1wgw s LYS 89 CO 0.31 -1.27 0.00 1.33 -0.92 0.00 0.00 175.35 174.80 1wgw n VAL 90 N 2.38 0.00 -3.76 3.17 0.24 -1.24 -4.85 118.33 114.26 1wgw n VAL 90 Ca 0.19 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.43 1wgw n VAL 90 Cb 0.37 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.46 1wgw n VAL 90 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1wgw s LYS 91 N -1.87 1.39 0.26 7.34 2.20 -1.26 -5.03 119.74 122.77 1wgw s LYS 91 Ca 0.00 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 1wgw s LYS 91 Cb 0.00 0.49 0.38 0.00 -1.51 0.00 0.00 37.83 37.19 1wgw s LYS 91 CO 0.00 -0.64 1.56 -0.24 -0.36 0.00 0.00 175.35 175.68 1wgw h VAL 92 N 2.00 0.02 0.00 4.02 3.04 -1.96 -3.43 116.25 119.95 1wgw h VAL 92 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1wgw h VAL 92 Cb 1.24 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1wgw h VAL 92 CO 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.81 1wgw n TYR 93 N -5.57 0.00 0.05 3.17 0.18 -1.26 -5.03 117.16 108.69 1wgw n TYR 93 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 1wgw n TYR 93 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 1wgw n TYR 93 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1wgw n SER 94 N -0.72 -0.84 -3.92 9.48 2.88 -1.26 -5.03 113.62 114.21 1wgw n SER 94 Ca 0.00 0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 57.49 1wgw n SER 94 Cb 0.00 1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 64.34 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 -1.24 -0.43 3.81 0.46 0.00 -1.26 -4.83 105.19 101.69 1wgw n GLY 95 Ca 0.00 0.83 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 7.53 3.47 -0.58 1.61 0.04 -1.26 -4.32 135.00 141.50 1wgw s PRO 96 Ca 1.18 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 1wgw s PRO 96 Cb -1.04 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 31.47 1wgw s PRO 96 CO 0.44 -0.68 0.64 0.45 0.04 0.00 0.00 177.00 177.89 1wgw n SER 97 N -1.80 -7.29 -3.70 6.66 2.88 -1.26 -5.04 113.62 104.07 1wgw n SER 97 Ca 0.09 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 1wgw n SER 97 Cb 0.53 -4.53 -0.10 0.00 -0.75 0.00 0.00 64.21 59.37 1wgw n SER 97 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgw s SER 98 N -2.63 -0.54 0.00 -3.46 0.01 -1.26 -5.25 113.70 100.57 1wgw s SER 98 Ca 0.16 0.99 0.10 0.00 1.31 0.00 0.00 55.95 58.51 1wgw s SER 98 Cb -0.04 0.96 0.61 0.00 0.21 0.00 0.00 66.02 67.76 1wgw s SER 98 CO 0.79 -0.18 1.05 0.61 0.41 0.00 0.00 173.24 175.92