#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 -0.36 -0.28 1.61 0.15 -1.26 -5.13 113.70 108.44 1wgw s SER 2 Ca 0.00 0.65 -0.38 0.00 0.70 0.00 0.00 55.95 56.93 1wgw s SER 2 Cb 0.00 0.65 0.16 0.00 -1.71 0.00 0.00 66.02 65.12 1wgw s SER 2 CO 0.00 -0.14 1.36 -0.55 1.20 0.00 0.00 173.24 175.11 1wgw s SER 3 N 0.01 -0.03 0.00 5.45 0.15 -1.26 -5.17 113.70 112.85 1wgw s SER 3 Ca 0.04 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1wgw s SER 3 Cb -0.04 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wgw s SER 3 CO -0.07 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1wgw n GLY 4 N 0.02 -1.68 0.07 9.45 0.00 -1.26 -4.75 105.19 107.03 1wgw n GLY 4 Ca 0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1wgw n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wgw h SER 5 N 0.00 0.00 -2.54 1.61 0.87 -2.02 -3.47 113.55 108.00 1wgw h SER 5 Ca 0.00 -0.02 -0.51 0.00 -1.23 0.00 0.00 61.79 60.02 1wgw h SER 5 Cb 0.00 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 62.19 1wgw h SER 5 CO 0.00 0.71 -1.25 -1.20 -0.53 0.00 0.00 176.83 174.56 1wgw n SER 6 N -4.66 -3.18 0.00 6.23 7.64 -1.26 -5.02 113.62 113.37 1wgw n SER 6 Ca -0.06 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wgw n SER 6 Cb 0.20 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 7 N 2.32 0.88 1.87 0.23 0.00 -1.26 -4.83 105.19 104.39 1wgw n GLY 7 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.00 3.00 0.22 4.61 0.00 -1.26 -4.82 120.51 119.27 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 0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 0.00 3.58 -1.99 -2.87 116.42 115.14 1wgw h ASP 9 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wgw h ASP 9 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1wgw h ASP 9 CO 0.00 0.25 0.00 0.18 -2.88 0.00 0.00 179.24 176.79 1wgw n LEU 10 N -3.71 0.00 0.06 2.28 4.77 -1.26 -0.02 117.00 119.12 1wgw n LEU 10 Ca -0.01 0.77 0.20 0.00 -0.03 0.00 0.00 56.01 56.93 1wgw n LEU 10 Cb 0.36 -0.27 0.57 0.00 -2.33 0.00 0.00 43.42 41.75 1wgw n LEU 10 CO 0.34 -0.27 1.18 1.23 -1.33 0.00 0.00 177.39 178.54 1wgw h GLY 11 N 0.00 0.00 1.45 -0.72 0.00 -1.87 1.32 103.07 103.24 1wgw h GLY 11 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1wgw h GLY 11 CO 0.00 0.00 -1.03 3.21 0.00 0.00 0.00 176.54 178.72 1wgw h ARG 12 N 0.00 0.48 0.00 4.80 2.47 -1.20 0.33 114.38 121.25 1wgw h ARG 12 Ca 0.24 -0.55 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1wgw h ARG 12 Cb 1.73 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 30.21 1wgw h ARG 12 CO -0.00 1.19 -0.02 0.87 0.56 0.00 0.00 179.97 182.57 1wgw h LYS 13 N 0.25 0.00 0.03 0.04 1.57 0.55 -2.74 116.57 116.28 1wgw h LYS 13 Ca -0.11 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.29 1wgw h LYS 13 Cb 1.68 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.93 1wgw h LYS 13 CO 0.18 0.02 -2.27 -0.89 -0.57 0.00 0.00 179.45 175.93 1wgw n ILE 14 N -3.18 1.58 -0.42 1.86 5.41 -0.98 -3.96 119.36 119.66 1wgw n ILE 14 Ca -0.01 -0.52 0.39 0.00 1.00 0.00 0.00 62.75 63.61 1wgw n ILE 14 Cb 0.21 -1.63 0.76 0.00 -0.71 0.00 0.00 39.64 38.27 1wgw n ILE 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wgw h THR 15 N -0.22 0.30 0.14 1.39 2.02 -0.06 1.48 112.91 117.96 1wgw h THR 15 Ca -0.54 -0.01 -0.29 0.00 0.77 0.00 0.00 66.41 66.34 1wgw h THR 15 Cb 1.84 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1wgw h THR 15 CO -0.11 0.00 -1.27 -1.28 0.37 0.00 0.00 175.52 173.24 1wgw h SER 16 N 0.01 0.65 -0.03 4.18 0.87 -1.67 -1.12 113.55 116.44 1wgw h SER 16 Ca 0.67 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1wgw h SER 16 Cb 2.63 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 64.38 1wgw h SER 16 CO -0.03 1.48 -0.00 0.00 -0.53 0.00 0.00 176.83 177.75 1wgw h ALA 17 N 0.43 0.04 0.05 6.23 0.00 0.17 0.63 119.26 126.80 1wgw h ALA 17 Ca -0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wgw h ALA 17 Cb 1.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wgw h ALA 17 CO 0.23 -0.27 -0.02 -0.07 0.00 0.00 0.00 179.25 179.11 1wgw h LEU 18 N -0.29 -0.05 -1.87 0.00 3.38 -0.42 -2.20 115.31 113.86 1wgw h LEU 18 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1wgw h LEU 18 Cb 0.37 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1wgw h LEU 18 CO 0.00 0.09 -0.13 0.03 0.09 0.00 0.00 178.44 178.52 1wgw h ARG 19 N -0.19 0.00 -0.88 1.13 2.47 -1.19 -1.97 114.38 113.75 1wgw h ARG 19 Ca -0.01 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1wgw h ARG 19 Cb 0.17 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.42 1wgw h ARG 19 CO 0.01 0.13 0.57 1.03 0.56 0.00 0.00 179.97 182.27 1wgw h SER 20 N 0.00 0.60 0.48 7.04 0.87 0.93 -1.48 113.55 121.98 1wgw h SER 20 Ca -0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1wgw h SER 20 Cb 0.27 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1wgw h SER 20 CO 0.02 0.29 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.31 1wgw h LEU 21 N 0.62 -0.54 -1.66 2.23 3.38 -1.31 -1.73 115.31 116.30 1wgw h LEU 21 Ca 0.45 -0.06 0.51 0.00 0.09 0.00 0.00 57.88 58.87 1wgw h LEU 21 Cb 0.80 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1wgw h LEU 21 CO -0.20 -0.26 1.15 -1.54 0.09 0.00 0.00 178.44 177.68 1wgw n SER 22 N -5.30 0.09 -0.06 -0.43 3.41 -0.58 0.18 113.62 110.94 1wgw n SER 22 Ca -0.11 1.11 -0.13 0.00 -0.26 0.00 0.00 58.87 59.49 1wgw n SER 22 Cb 0.30 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.58 1wgw n SER 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1wgw h ASN 23 N 0.00 -0.01 -2.42 4.04 -0.73 -1.24 -3.46 115.58 111.76 1wgw h ASN 23 Ca 0.88 -0.84 -0.60 0.00 1.87 0.00 0.00 56.30 57.61 1wgw h ASN 23 Cb 3.25 0.00 0.16 0.00 0.27 0.00 0.00 38.32 42.01 1wgw h ASN 23 CO -0.20 0.88 -0.64 0.00 -0.37 0.00 0.00 177.43 177.10 1wgw n ALA 24 N -2.59 -1.90 -0.04 1.57 0.00 0.49 -4.92 120.51 113.12 1wgw n ALA 24 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1wgw n ALA 24 Cb 0.41 -1.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1wgw n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wgw n THR 25 N -1.34 0.51 0.30 0.00 -1.04 -1.26 -4.73 114.28 106.72 1wgw n THR 25 Ca 0.11 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1wgw n THR 25 Cb 0.44 -0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 68.08 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 -5.01 12.58 5.03 -1.95 -3.49 117.51 124.67 1wgw h ILE 26 Ca -0.20 -0.37 0.01 0.00 -0.12 0.00 0.00 64.86 64.17 1wgw h ILE 26 Cb 1.42 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 35.10 1wgw h ILE 26 CO 0.00 0.00 -1.41 -0.38 -0.68 0.00 0.00 178.15 175.68 1wgw n ILE 27 N -5.24-12.34 -3.58 -0.67 2.08 -1.26 -5.07 119.36 93.27 1wgw n ILE 27 Ca -0.10 2.72 -0.06 0.00 0.56 0.00 0.00 62.75 65.86 1wgw n ILE 27 Cb 0.32 -6.23 0.01 0.00 -0.75 0.00 0.00 39.64 33.00 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 1.80 -1.28 -0.25 4.38 0.23 -1.26 -5.00 115.26 113.88 1wgw n ASN 28 Ca -0.33 -2.03 0.17 0.00 -0.53 0.00 0.00 54.58 51.86 1wgw n ASN 28 Cb 0.51 2.18 0.47 0.00 -2.08 0.00 0.00 39.78 40.85 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 0.49 0.51 -3.83 4.81 -1.96 -2.24 114.58 112.36 1wgw h GLU 29 Ca -0.20 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1wgw h GLU 29 Cb 0.76 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wgw h GLU 29 CO 0.25 0.32 -0.27 1.49 -0.73 0.00 0.00 179.01 180.08 1wgw h GLU 30 N 0.50 -0.69 -0.99 1.92 4.57 -1.98 0.25 114.58 118.17 1wgw h GLU 30 Ca 0.46 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.89 1wgw h GLU 30 Cb 1.01 0.16 -0.19 0.00 -0.16 0.00 0.00 28.75 29.57 1wgw h GLU 30 CO -0.20 -0.46 -0.25 0.28 -1.18 0.00 0.00 179.01 177.21 1wgw n VAL 31 N -3.99 -0.42 -0.13 0.32 0.31 -0.89 0.19 118.33 113.73 1wgw n VAL 31 Ca -0.09 2.27 -0.08 0.00 -0.01 0.00 0.00 64.34 66.43 1wgw n VAL 31 Cb 0.29 -3.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.08 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 0.45 0.72 7.52 6.46 -1.23 1.51 115.31 130.74 1wgw h LEU 32 Ca 0.48 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.19 1wgw h LEU 32 Cb 0.72 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1wgw h LEU 32 CO -1.02 0.32 -0.38 0.78 -0.62 0.00 0.00 178.44 177.52 1wgw h ASN 33 N 0.53 -0.92 0.56 1.25 2.35 0.56 0.89 115.58 120.80 1wgw h ASN 33 Ca 0.15 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1wgw h ASN 33 Cb -0.05 0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1wgw h ASN 33 CO -0.04 -0.62 -0.38 0.00 -1.65 0.00 0.00 177.43 174.74 1wgw h ALA 34 N -0.76 -0.93 -0.55 -0.83 0.00 0.12 -2.64 119.26 113.66 1wgw h ALA 34 Ca -0.10 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1wgw h ALA 34 Cb 0.80 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1wgw h ALA 34 CO 0.14 -1.05 -0.07 1.98 0.00 0.00 0.00 179.25 180.26 1wgw h MET 35 N -0.91 0.05 -0.75 0.00 1.85 0.22 -1.27 114.93 114.12 1wgw h MET 35 Ca -0.07 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.13 1wgw h MET 35 Cb 0.75 -0.01 -0.12 0.00 0.43 0.00 0.00 31.60 32.65 1wgw h MET 35 CO 0.05 0.04 -0.44 -0.07 -0.40 0.00 0.00 176.91 176.08 1wgw h LEU 36 N 0.06 -1.57 -0.76 3.39 3.38 0.11 0.90 115.31 120.82 1wgw h LEU 36 Ca 0.28 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.59 1wgw h LEU 36 Cb 0.43 0.74 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 1wgw h LEU 36 CO -0.52 -0.31 -0.53 0.50 0.09 0.00 0.00 178.44 177.68 1wgw h LYS 37 N -0.13 -0.09 -1.12 1.13 3.64 -0.89 1.92 116.57 121.02 1wgw h LYS 37 Ca 0.22 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.92 1wgw h LYS 37 Cb 0.55 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1wgw h LYS 37 CO -0.80 -0.06 0.74 0.93 -2.27 0.00 0.00 179.45 177.98 1wgw h GLU 38 N -0.10 0.25 0.11 1.90 4.39 -0.77 0.22 114.58 120.59 1wgw h GLU 38 Ca 0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1wgw h GLU 38 Cb 0.42 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1wgw h GLU 38 CO -0.77 0.17 -0.05 0.28 -1.16 0.00 0.00 179.01 177.48 1wgw h VAL 39 N 0.26 0.34 -1.03 3.13 2.07 0.33 -3.24 116.25 118.11 1wgw h VAL 39 Ca 0.63 -1.10 0.39 0.00 0.82 0.00 0.00 66.70 67.45 1wgw h VAL 39 Cb 1.85 0.62 -0.17 0.00 -1.52 0.00 0.00 31.29 32.07 1wgw h VAL 39 CO -0.26 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.01 1wgw h THR 41 N 0.10 0.28 -0.75 0.00 2.02 -0.68 0.13 112.91 114.00 1wgw h THR 41 Ca 0.82 0.00 0.15 0.00 0.77 0.00 0.00 66.41 68.14 1wgw h THR 41 Cb 2.12 0.28 -0.14 0.00 -1.74 0.00 0.00 68.15 68.66 1wgw h THR 41 CO -0.70 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 174.96 1wgw h ALA 42 N 0.17 0.39 -0.31 6.16 0.00 0.59 1.61 119.26 127.86 1wgw h ALA 42 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1wgw h ALA 42 Cb 0.58 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1wgw h ALA 42 CO -0.26 -0.47 0.13 -0.07 0.00 0.00 0.00 179.25 178.59 1wgw h LEU 43 N -0.03 0.18 -1.40 0.00 -0.00 -1.04 -0.18 115.31 112.84 1wgw h LEU 43 Ca 0.34 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.23 1wgw h LEU 43 Cb 0.56 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1wgw h LEU 43 CO -0.78 0.14 0.23 -0.07 -0.00 0.00 0.00 178.44 177.96 1wgw h LEU 44 N 0.29 0.57 -0.10 1.67 3.38 0.26 0.21 115.31 121.59 1wgw h LEU 44 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wgw h LEU 44 Cb 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wgw h LEU 44 CO -0.11 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 1wgw n GLU 45 N -4.40 1.07 -0.07 1.13 1.02 0.50 -3.72 120.64 116.16 1wgw n GLU 45 Ca 0.04 -0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.02 1wgw n GLU 45 Cb 0.11 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.66 0.52 0.00 0.62 0.00 0.71 -5.02 120.51 116.68 1wgw n ALA 46 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1wgw n ALA 46 Cb 0.08 0.02 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 -0.40 0.00 0.00 0.00 177.50 177.10 1wgw n ASP 47 N -4.44 0.00 -4.11 0.00 5.68 -1.11 -5.11 116.55 107.46 1wgw n ASP 47 Ca -0.08 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.85 1wgw n ASP 47 Cb 0.31 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.36 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wgw n VAL 48 N 0.00 0.00 -3.02 2.12 0.24 -1.25 -4.91 118.33 111.52 1wgw n VAL 48 Ca 0.00 -0.20 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 1wgw n VAL 48 Cb 0.00 -0.20 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wgw s ASN 49 N -1.30 6.83 0.24 -1.34 2.47 -1.26 -4.82 114.94 115.77 1wgw s ASN 49 Ca 0.44 1.43 -0.07 0.00 0.42 0.00 0.00 52.86 55.08 1wgw s ASN 49 Cb -0.04 -2.43 0.24 0.00 -1.45 0.00 0.00 41.25 37.57 1wgw s ASN 49 CO 0.70 -0.27 1.92 -0.29 -3.72 0.00 0.00 177.10 175.44 1wgw h ILE 50 N 1.93 1.24 -0.55 -5.21 6.09 -1.97 0.32 117.51 119.37 1wgw h ILE 50 Ca -0.48 -0.44 -0.03 0.00 -1.37 0.00 0.00 64.86 62.54 1wgw h ILE 50 Cb 1.18 -0.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.28 1wgw h ILE 50 CO 0.64 0.24 0.24 0.11 -3.07 0.00 0.00 178.15 176.30 1wgw h LYS 51 N 1.29 0.80 -0.43 2.19 6.56 -1.99 -1.42 116.57 123.58 1wgw h LYS 51 Ca 0.35 -0.13 0.01 0.00 -1.06 0.00 0.00 60.65 59.82 1wgw h LYS 51 Cb -0.14 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.36 1wgw h LYS 51 CO -0.08 0.68 0.28 -0.07 -2.06 0.00 0.00 179.45 178.20 1wgw h LEU 52 N 0.74 0.48 -1.62 2.94 -0.00 -1.71 0.14 115.31 116.29 1wgw h LEU 52 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1wgw h LEU 52 Cb 0.16 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1wgw h LEU 52 CO -0.02 0.35 0.00 0.58 -0.00 0.00 0.00 178.44 179.35 1wgw h VAL 53 N 0.57 0.00 0.23 1.22 2.07 -0.56 0.45 116.25 120.23 1wgw h VAL 53 Ca 0.16 -0.12 -0.33 0.00 0.82 0.00 0.00 66.70 67.23 1wgw h VAL 53 Cb -0.06 0.83 0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1wgw h VAL 53 CO -0.04 0.00 -1.51 0.11 0.02 0.00 0.00 177.57 176.15 1wgw h LYS 54 N 0.00 0.49 0.00 1.57 1.57 0.34 -3.09 116.57 117.45 1wgw h LYS 54 Ca 0.00 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 1wgw h LYS 54 Cb 0.15 0.31 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1wgw h LYS 54 CO 0.00 1.40 0.00 1.04 -0.57 0.00 0.00 179.45 181.32 1wgw n GLN 55 N -3.68 0.26 0.05 3.15 1.13 -0.36 -3.65 117.38 114.28 1wgw n GLN 55 Ca -0.17 0.22 -0.02 0.00 -1.94 0.00 0.00 57.00 55.08 1wgw n GLN 55 Cb 1.10 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 29.63 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wgw h LEU 56 N 0.00 -0.13 -0.91 1.08 6.46 -1.00 -2.18 115.31 118.63 1wgw h LEU 56 Ca 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 1wgw h LEU 56 Cb 0.73 0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 40.57 1wgw h LEU 56 CO 0.00 0.03 -0.47 -2.11 -0.62 0.00 0.00 178.44 175.28 1wgw n ARG 57 N -3.15 -0.33 0.08 1.25 1.85 -1.17 0.52 116.66 115.72 1wgw n ARG 57 Ca -0.02 1.38 -0.13 0.00 -1.00 0.00 0.00 57.85 58.09 1wgw n ARG 57 Cb 0.06 -2.04 -0.06 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 -0.51 -0.96 2.89 -0.00 -1.69 1.15 114.58 115.46 1wgw h GLU 58 Ca 0.21 0.03 0.24 0.00 -0.00 0.00 0.00 59.36 59.84 1wgw h GLU 58 Cb 0.44 0.12 -0.07 0.00 -0.00 0.00 0.00 28.75 29.23 1wgw h GLU 58 CO -0.87 -0.34 0.64 -0.91 -0.00 0.00 0.00 179.01 177.53 1wgw h ASN 59 N -0.53 0.36 0.16 3.06 2.35 0.24 0.29 115.58 121.50 1wgw h ASN 59 Ca 0.05 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1wgw h ASN 59 Cb 0.60 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1wgw h ASN 59 CO -0.26 0.11 -0.08 0.58 -1.65 0.00 0.00 177.43 176.14 1wgw h VAL 60 N 0.34 0.66 -0.99 2.81 2.07 0.26 -3.13 116.25 118.27 1wgw h VAL 60 Ca 0.51 -1.15 0.28 0.00 0.82 0.00 0.00 66.70 67.17 1wgw h VAL 60 Cb 1.40 1.15 -0.14 0.00 -1.52 0.00 0.00 31.29 32.18 1wgw h VAL 60 CO -0.19 0.19 0.54 0.11 0.02 0.00 0.00 177.57 178.24 1wgw h LYS 61 N -0.95 0.39 -0.83 1.57 1.57 0.27 1.35 116.57 119.94 1wgw h LYS 61 Ca -0.02 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1wgw h LYS 61 Cb 0.47 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1wgw h LYS 61 CO 0.04 0.26 0.54 1.03 -0.57 0.00 0.00 179.45 180.75 1wgw h SER 62 N 0.41 0.82 0.40 0.86 0.87 -0.52 0.48 113.55 116.86 1wgw h SER 62 Ca 0.68 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1wgw h SER 62 Cb 1.44 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1wgw h SER 62 CO -0.56 0.53 0.00 0.00 -0.53 0.00 0.00 176.83 176.27 1wgw n ALA 63 N -2.42 1.38 -2.25 6.23 0.00 0.46 -4.65 120.51 119.26 1wgw n ALA 63 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1wgw n ALA 63 Cb 0.20 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.23 0.00 0.06 0.00 2.08 0.17 -5.04 119.36 114.40 1wgw n ILE 64 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1wgw n ILE 64 Cb 0.14 -0.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 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 -1.15 0.00 4.38 -0.08 -1.25 -5.01 116.55 113.44 1wgw n ASP 65 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1wgw n ASP 65 Cb 0.00 1.31 0.00 0.00 2.34 0.00 0.00 41.12 44.77 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 -2.63 0.00 -0.09 -2.67 4.32 -1.26 -4.14 117.00 110.53 1wgw n LEU 66 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1wgw n LEU 66 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1wgw n LEU 66 CO 0.00 0.00 0.98 1.05 -1.22 0.00 0.00 177.39 178.20 1wgw h GLU 67 N 0.00 0.42 -2.39 3.23 4.11 -2.01 -3.06 114.58 114.88 1wgw h GLU 67 Ca 0.00 -0.04 -0.80 0.00 0.07 0.00 0.00 59.36 58.60 1wgw h GLU 67 Cb 0.00 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 28.92 1wgw h GLU 67 CO 0.00 0.32 1.25 -1.91 0.07 0.00 0.00 179.01 178.74 1wgw n GLU 68 N -4.84 5.20 0.00 1.06 2.13 -1.26 -4.34 120.64 118.59 1wgw n GLU 68 Ca -0.01 -4.45 0.00 0.00 0.66 0.00 0.00 57.16 53.36 1wgw n GLU 68 Cb 0.05 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1wgw n MET 69 N 0.42 4.89 -4.24 5.31 2.81 -1.16 -4.94 117.12 120.22 1wgw n MET 69 Ca 0.47 -0.13 -0.32 0.00 -1.81 0.00 0.00 57.70 55.92 1wgw n MET 69 Cb 0.27 -0.63 -0.07 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.74 -1.83 -0.21 3.04 0.00 -1.26 -4.42 120.51 115.10 1wgw n ALA 70 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.16 1wgw n ALA 70 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.84 -1.11 0.00 0.00 2.88 -1.26 -5.11 113.62 106.18 1wgw n SER 71 Ca -0.22 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wgw n SER 71 Cb 0.64 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 72 N -2.33 2.98 2.80 0.46 0.00 -1.26 -4.92 105.19 102.92 1wgw n GLY 72 Ca -0.01 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 7.31 -0.08 0.99 4.77 -1.26 -4.44 117.00 124.30 1wgw n LEU 73 Ca 0.00 -5.07 -0.10 0.00 -0.03 0.00 0.00 56.01 50.81 1wgw n LEU 73 Cb 0.00 -1.07 -0.15 0.00 -2.33 0.00 0.00 43.42 39.86 1wgw n LEU 73 CO 0.00 1.90 -0.97 0.59 -1.33 0.00 0.00 177.39 177.57 1wgw n ASN 74 N -0.36 0.39 -0.25 -1.43 3.02 -1.26 -4.27 115.26 111.10 1wgw n ASN 74 Ca 0.50 0.12 0.06 0.00 -0.03 0.00 0.00 54.58 55.23 1wgw n ASN 74 Cb 0.26 0.59 0.17 0.00 -0.61 0.00 0.00 39.78 40.19 1wgw n ASN 74 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1wgw h LYS 75 N 0.00 0.16 0.00 3.52 -0.00 -1.98 1.62 116.57 119.88 1wgw h LYS 75 Ca -0.47 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 60.15 1wgw h LYS 75 Cb 2.16 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 34.35 1wgw h LYS 75 CO 0.04 0.10 -0.09 0.07 -0.00 0.00 0.00 179.45 179.57 1wgw h ARG 76 N 0.16 0.00 0.00 0.07 0.11 -1.93 0.36 114.38 113.16 1wgw h ARG 76 Ca 0.42 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.50 1wgw h ARG 76 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1wgw h ARG 76 CO -0.60 0.09 -0.00 -0.22 0.10 0.00 0.00 179.97 179.34 1wgw h LYS 77 N 0.00 -0.00 -0.61 0.08 3.64 0.18 -3.13 116.57 116.73 1wgw h LYS 77 Ca -0.00 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 1wgw h LYS 77 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1wgw h LYS 77 CO 0.01 -0.00 0.47 0.00 -2.27 0.00 0.00 179.45 177.66 1wgw h MET 78 N -0.52 0.00 0.46 1.90 -0.00 0.18 -0.90 114.93 116.05 1wgw h MET 78 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1wgw h MET 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1wgw h MET 78 CO 0.00 0.00 -0.22 0.82 -0.00 0.00 0.00 176.91 177.51 1wgw h ILE 79 N 0.00 0.54 -1.54 -0.10 2.04 -0.39 0.68 117.51 118.75 1wgw h ILE 79 Ca 0.29 -0.13 0.45 0.00 1.00 0.00 0.00 64.86 66.47 1wgw h ILE 79 Cb 1.22 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1wgw h ILE 79 CO -0.00 0.02 1.23 -0.61 0.00 0.00 0.00 178.15 178.79 1wgw h GLN 80 N -0.70 0.00 0.00 2.37 4.15 -1.09 0.32 115.11 120.16 1wgw h GLN 80 Ca -0.06 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.11 1wgw h GLN 80 Cb 0.51 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 1wgw h GLN 80 CO 0.10 0.00 -1.47 1.58 -1.93 0.00 0.00 178.83 177.12 1wgw n HIS 81 N -3.79 0.71 -0.39 3.99 -0.00 -0.72 -3.65 115.22 111.38 1wgw n HIS 81 Ca 0.34 0.31 -0.10 0.00 0.46 0.00 0.00 57.72 58.73 1wgw n HIS 81 Cb 1.70 -1.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.49 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 -0.71 -0.45 0.11 1.57 0.00 0.40 1.33 119.26 121.50 1wgw h ALA 82 Ca -0.37 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wgw h ALA 82 Cb 1.26 1.29 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 1wgw h ALA 82 CO -0.23 -0.92 -0.25 0.28 0.00 0.00 0.00 179.25 178.14 1wgw h VAL 83 N -0.04 0.00 -0.86 0.00 2.07 -1.16 0.27 116.25 116.54 1wgw h VAL 83 Ca 0.18 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.91 1wgw h VAL 83 Cb 0.46 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.07 1wgw h VAL 83 CO -0.91 0.00 -0.01 -0.26 0.02 0.00 0.00 177.57 176.40 1wgw h PHE 84 N -0.39 -0.10 0.42 1.57 -1.00 -1.23 0.17 116.94 116.38 1wgw h PHE 84 Ca -0.01 0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1wgw h PHE 84 Cb 0.38 0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1wgw h PHE 84 CO -0.31 -0.32 -0.37 -0.22 -1.61 0.00 0.00 178.31 175.49 1wgw h LYS 85 N 0.06 -0.76 -0.65 1.51 3.64 0.24 -1.99 116.57 118.62 1wgw h LYS 85 Ca 0.48 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 60.05 1wgw h LYS 85 Cb 0.89 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.77 1wgw h LYS 85 CO -0.78 -0.51 -0.02 0.93 -2.27 0.00 0.00 179.45 176.80 1wgw h GLU 86 N -0.79 0.09 -0.96 1.90 4.39 0.21 0.69 114.58 120.12 1wgw h GLU 86 Ca -0.04 -0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.87 1wgw h GLU 86 Cb 0.70 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.24 1wgw h GLU 86 CO -0.03 0.06 0.62 -0.07 -1.16 0.00 0.00 179.01 178.43 1wgw h LEU 87 N 0.10 0.51 -1.05 1.33 3.38 -0.29 0.98 115.31 120.26 1wgw h LEU 87 Ca 0.34 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 1wgw h LEU 87 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1wgw h LEU 87 CO -0.58 0.18 -0.31 0.58 0.09 0.00 0.00 178.44 178.41 1wgw h VAL 88 N 0.50 1.27 -0.62 1.22 2.07 0.11 -2.81 116.25 117.99 1wgw h VAL 88 Ca 0.52 -1.28 -0.36 0.00 0.82 0.00 0.00 66.70 66.40 1wgw h VAL 88 Cb 1.17 1.49 -0.14 0.00 -1.52 0.00 0.00 31.29 32.30 1wgw h VAL 88 CO -0.25 0.39 0.27 0.29 0.02 0.00 0.00 177.57 178.29 1wgw n LYS 89 N -4.11 2.02 -3.19 1.57 4.76 0.34 -4.46 118.16 115.08 1wgw n LYS 89 Ca -0.01 -1.70 -0.24 0.00 -2.87 0.00 0.00 58.31 53.48 1wgw n LYS 89 Cb 0.41 -1.84 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1wgw n LYS 89 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1wgw n VAL 90 N 0.94 1.31 0.00 -0.18 0.31 -1.06 -4.99 118.33 114.67 1wgw n VAL 90 Ca 0.37 -4.90 0.00 0.00 -0.01 0.00 0.00 64.34 59.80 1wgw n VAL 90 Cb 0.61 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1wgw n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1wgw n LYS 91 N 0.58 0.00 0.00 5.55 4.81 -1.26 -5.10 118.16 122.74 1wgw n LYS 91 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1wgw n LYS 91 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1wgw n LYS 91 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1wgw n VAL 92 N 0.00 0.00 -2.44 3.15 3.14 -1.26 -4.93 118.33 115.99 1wgw n VAL 92 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 1wgw n VAL 92 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -2.29 3.38 0.00 1.45 0.18 -1.26 -4.95 117.16 113.68 1wgw n TYR 93 Ca 0.00 -3.06 0.00 0.00 1.88 0.00 0.00 57.90 56.72 1wgw n TYR 93 Cb 0.00 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 38.80 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 -0.49 0.00 0.00 9.48 2.88 -1.26 -4.93 113.62 119.31 1wgw n SER 94 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1wgw n SER 94 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.00 -0.56 3.81 0.46 0.00 -1.26 -5.00 105.19 102.64 1wgw n GLY 95 Ca 0.00 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 3.47 0.41 1.61 0.04 -1.26 -5.01 135.00 134.26 1wgw s PRO 96 Ca 0.00 1.21 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 1wgw s PRO 96 Cb 0.00 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1wgw s PRO 96 CO 0.00 -0.69 1.16 -1.12 0.04 0.00 0.00 177.00 176.39 1wgw s SER 97 N -2.66 6.48 -0.08 6.66 0.01 -1.26 -4.98 113.70 117.86 1wgw s SER 97 Ca 0.64 2.31 -0.11 0.00 1.31 0.00 0.00 55.95 60.09 1wgw s SER 97 Cb -0.15 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1wgw s SER 97 CO 0.33 -0.70 -0.22 -0.24 0.41 0.00 0.00 173.24 172.82 1wgw n SER 98 N -0.05 1.56 0.00 2.44 2.88 -1.26 -5.31 113.62 113.88 1wgw n SER 98 Ca 0.05 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wgw n SER 98 Cb 0.47 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42