#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 4.20 -0.05 1.61 0.01 -1.26 -5.15 113.70 113.06 1wgw s SER 2 Ca 0.00 -1.54 -0.00 0.00 1.31 0.00 0.00 55.95 55.72 1wgw s SER 2 Cb 0.00 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.64 1wgw s SER 2 CO 0.00 -0.84 -0.01 -0.44 0.41 0.00 0.00 173.24 172.35 1wgw s SER 3 N -3.93 1.08 -0.19 2.44 0.01 -1.26 -4.99 113.70 106.87 1wgw s SER 3 Ca 0.14 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 1wgw s SER 3 Cb 0.02 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1wgw s SER 3 CO 0.08 -0.12 0.20 0.61 0.41 0.00 0.00 173.24 174.41 1wgw n GLY 4 N 4.53 -4.64 2.70 3.44 0.00 -1.26 -5.04 105.19 104.92 1wgw n GLY 4 Ca -0.18 1.48 -0.06 0.00 0.00 0.00 0.00 46.02 47.26 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 1.65 -1.87 -4.57 1.61 2.88 -1.26 -5.08 113.62 106.99 1wgw n SER 5 Ca -0.33 -2.45 -0.23 0.00 -1.33 0.00 0.00 58.87 54.53 1wgw n SER 5 Cb 0.52 1.25 -0.07 0.00 -0.75 0.00 0.00 64.21 65.16 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 -0.78 4.67 -0.10 -3.46 0.15 -1.26 -4.25 113.70 108.67 1wgw s SER 6 Ca 0.26 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.91 1wgw s SER 6 Cb 0.24 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1wgw s SER 6 CO -0.15 -3.32 0.10 0.61 1.20 0.00 0.00 173.24 171.68 1wgw n GLY 7 N 6.40 -0.44 0.19 9.45 0.00 -1.26 -4.51 105.19 115.01 1wgw n GLY 7 Ca 0.43 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 3.32 -0.39 -0.54 4.61 0.00 -1.99 0.11 119.26 124.38 1wgw h ALA 8 Ca -0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1wgw h ALA 8 Cb 0.95 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1wgw h ALA 8 CO 0.04 -0.52 0.02 0.22 0.00 0.00 0.00 179.25 179.01 1wgw h ASP 9 N -0.79 0.88 0.49 0.00 3.58 -1.96 -0.59 116.42 118.03 1wgw h ASP 9 Ca -0.04 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1wgw h ASP 9 Cb 0.51 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1wgw h ASP 9 CO 0.07 0.93 -0.26 -0.07 -2.88 0.00 0.00 179.24 177.02 1wgw h LEU 10 N 0.85 -0.65 -2.28 2.28 3.38 -1.89 0.77 115.31 117.77 1wgw h LEU 10 Ca 0.16 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1wgw h LEU 10 Cb 0.47 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wgw h LEU 10 CO 0.02 -0.43 0.23 1.23 0.09 0.00 0.00 178.44 179.59 1wgw h GLY 11 N -0.69 0.00 2.00 0.83 0.00 -0.75 0.56 103.07 105.01 1wgw h GLY 11 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1wgw h GLY 11 CO 0.09 0.00 -0.59 3.21 0.00 0.00 0.00 176.54 179.25 1wgw h ARG 12 N 0.00 0.00 0.00 4.80 2.47 -0.37 0.40 114.38 121.68 1wgw h ARG 12 Ca 0.04 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 1wgw h ARG 12 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1wgw h ARG 12 CO -0.00 0.59 -0.48 0.87 0.56 0.00 0.00 179.97 181.51 1wgw h LYS 13 N 0.00 0.00 0.00 0.04 1.57 0.25 -2.94 116.57 115.49 1wgw h LYS 13 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1wgw h LYS 13 Cb 1.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.66 1wgw h LYS 13 CO 0.08 0.48 -1.91 -0.89 -0.57 0.00 0.00 179.45 176.64 1wgw n ILE 14 N -3.72 1.54 -0.33 1.86 5.41 -1.11 -3.84 119.36 119.17 1wgw n ILE 14 Ca -0.01 -0.22 0.22 0.00 1.00 0.00 0.00 62.75 63.74 1wgw n ILE 14 Cb 0.54 -1.95 0.41 0.00 -0.71 0.00 0.00 39.64 37.93 1wgw n ILE 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1wgw n THR 15 N -4.31 -0.42 -0.11 1.39 -1.04 0.14 0.18 114.28 110.13 1wgw n THR 15 Ca -0.43 2.10 -0.11 0.00 -2.04 0.00 0.00 64.05 63.57 1wgw n THR 15 Cb 0.79 -3.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.06 1wgw n THR 15 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1wgw h SER 16 N 0.00 0.56 0.24 8.00 0.87 -1.71 -1.39 113.55 120.12 1wgw h SER 16 Ca 0.70 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1wgw h SER 16 Cb 1.65 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.42 1wgw h SER 16 CO -0.86 0.76 -0.50 0.00 -0.53 0.00 0.00 176.83 175.71 1wgw h ALA 17 N 0.82 -1.03 -0.80 6.23 0.00 0.19 0.43 119.26 125.09 1wgw h ALA 17 Ca 0.08 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1wgw h ALA 17 Cb 0.49 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1wgw h ALA 17 CO 0.02 -1.13 0.53 -0.07 0.00 0.00 0.00 179.25 178.61 1wgw h LEU 18 N -0.80 0.37 -0.02 0.00 3.38 -0.99 -0.21 115.31 117.04 1wgw h LEU 18 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wgw h LEU 18 Cb 0.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wgw h LEU 18 CO -0.20 0.18 0.01 -0.09 0.09 0.00 0.00 178.44 178.42 1wgw h ARG 19 N 0.39 0.03 -1.65 1.13 2.43 0.23 -2.27 114.38 114.65 1wgw h ARG 19 Ca 0.40 -0.00 0.48 0.00 -0.81 0.00 0.00 59.98 60.05 1wgw h ARG 19 Cb 0.98 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 1wgw h ARG 19 CO -0.13 0.19 1.18 1.03 -1.51 0.00 0.00 179.97 180.73 1wgw h SER 20 N -0.14 0.03 0.12 -3.80 0.87 0.16 0.80 113.55 111.59 1wgw h SER 20 Ca 0.01 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1wgw h SER 20 Cb 0.17 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1wgw h SER 20 CO -0.00 -0.02 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.15 1wgw h LEU 21 N 0.01 -0.14 -1.83 2.23 3.38 -1.35 0.13 115.31 117.75 1wgw h LEU 21 Ca 0.81 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 58.49 1wgw h LEU 21 Cb 3.16 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.92 1wgw h LEU 21 CO -0.06 0.46 0.56 -1.28 0.09 0.00 0.00 178.44 178.21 1wgw h SER 22 N -0.84 0.00 0.28 -0.43 0.87 0.73 0.59 113.55 114.76 1wgw h SER 22 Ca -0.02 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.21 1wgw h SER 22 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1wgw h SER 22 CO 0.03 0.00 -1.85 -1.13 -0.53 0.00 0.00 176.83 173.34 1wgw h ASN 23 N 0.00 0.27 -3.98 6.23 -0.73 -1.02 -3.47 115.58 112.88 1wgw h ASN 23 Ca 0.23 -0.59 -0.54 0.00 1.87 0.00 0.00 56.30 57.26 1wgw h ASN 23 Cb 1.34 -0.09 0.12 0.00 0.27 0.00 0.00 38.32 39.96 1wgw h ASN 23 CO -0.00 1.53 0.72 0.00 -0.37 0.00 0.00 177.43 179.31 1wgw s ALA 24 N -2.58 3.31 -0.04 1.57 0.00 0.21 -4.92 121.76 119.30 1wgw s ALA 24 Ca -0.15 1.50 0.12 0.00 0.00 0.00 0.00 51.96 53.43 1wgw s ALA 24 Cb 0.07 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 1wgw s ALA 24 CO 0.80 -1.19 0.21 2.41 0.00 0.00 0.00 175.76 177.99 1wgw n THR 25 N -0.08 0.22 -0.00 0.00 -1.04 -1.26 -4.63 114.28 107.48 1wgw n THR 25 Ca 0.04 -0.34 -0.07 0.00 -2.04 0.00 0.00 64.05 61.63 1wgw n THR 25 Cb 0.41 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.71 -5.71 12.58 5.03 -1.91 -3.46 117.51 124.75 1wgw h ILE 26 Ca -0.09 -1.34 -0.13 0.00 -0.12 0.00 0.00 64.86 63.18 1wgw h ILE 26 Cb 0.89 1.28 0.01 0.00 -3.03 0.00 0.00 36.82 35.96 1wgw h ILE 26 CO 0.00 0.22 -0.73 -0.38 -0.68 0.00 0.00 178.15 176.59 1wgw n ILE 27 N -4.81 -8.73 -4.09 -0.67 2.08 -1.26 -4.82 119.36 97.06 1wgw n ILE 27 Ca -0.05 0.60 -0.04 0.00 0.56 0.00 0.00 62.75 63.81 1wgw n ILE 27 Cb 0.22 -6.06 -0.01 0.00 -0.75 0.00 0.00 39.64 33.04 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 -0.32 1.31 -0.21 4.38 0.23 -1.26 -4.91 115.26 114.48 1wgw n ASN 28 Ca 0.05 -1.36 -0.03 0.00 -0.53 0.00 0.00 54.58 52.71 1wgw n ASN 28 Cb 0.54 0.14 0.08 0.00 -2.08 0.00 0.00 39.78 38.46 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 0.64 0.18 -3.83 3.07 -1.96 -2.66 114.58 110.02 1wgw h GLU 29 Ca -0.06 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1wgw h GLU 29 Cb 0.20 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 1wgw h GLU 29 CO 0.09 0.42 -0.42 1.49 -1.40 0.00 0.00 179.01 179.20 1wgw h GLU 30 N 0.66 -0.67 -0.89 2.33 4.81 -1.98 0.35 114.58 119.19 1wgw h GLU 30 Ca 0.27 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 1wgw h GLU 30 Cb 0.15 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 29.57 1wgw h GLU 30 CO -0.16 -0.44 -0.52 0.28 -0.73 0.00 0.00 179.01 177.43 1wgw n VAL 31 N -5.47 -0.60 0.16 0.32 0.31 -1.02 0.53 118.33 112.55 1wgw n VAL 31 Ca -0.08 2.24 -0.17 0.00 -0.01 0.00 0.00 64.34 66.32 1wgw n VAL 31 Cb 0.38 -2.78 -0.10 0.00 -0.91 0.00 0.00 33.84 30.44 1wgw n VAL 31 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wgw h LEU 32 N 0.00 -1.54 -0.96 7.52 3.38 -1.28 0.53 115.31 122.97 1wgw h LEU 32 Ca 0.14 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.40 1wgw h LEU 32 Cb 0.36 0.55 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1wgw h LEU 32 CO -0.84 -0.58 -0.43 0.78 0.09 0.00 0.00 178.44 177.46 1wgw h ASN 33 N -0.82 -1.59 0.19 -0.43 2.35 0.14 1.29 115.58 116.71 1wgw h ASN 33 Ca -0.02 0.31 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1wgw h ASN 33 Cb 0.79 0.79 -0.02 0.00 0.05 0.00 0.00 38.32 39.92 1wgw h ASN 33 CO -0.23 -0.28 -0.23 0.00 -1.65 0.00 0.00 177.43 175.04 1wgw h ALA 34 N 1.12 -0.44 -0.59 -0.83 0.00 0.85 -1.84 119.26 117.52 1wgw h ALA 34 Ca 0.29 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.26 1wgw h ALA 34 Cb 0.55 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 1wgw h ALA 34 CO -0.95 -0.78 0.07 1.98 0.00 0.00 0.00 179.25 179.57 1wgw h MET 35 N -0.47 0.19 -0.70 0.00 1.85 0.42 0.44 114.93 116.66 1wgw h MET 35 Ca 0.01 -0.01 0.15 0.00 -0.61 0.00 0.00 59.70 59.23 1wgw h MET 35 Cb 0.46 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 1wgw h MET 35 CO -0.08 0.12 0.47 -0.07 -0.40 0.00 0.00 176.91 176.96 1wgw h LEU 36 N 0.19 0.31 -0.84 3.39 3.38 0.19 1.63 115.31 123.57 1wgw h LEU 36 Ca 0.31 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 1wgw h LEU 36 Cb 0.48 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1wgw h LEU 36 CO -0.45 0.16 -0.56 0.50 0.09 0.00 0.00 178.44 178.18 1wgw h LYS 37 N 0.33 0.00 0.00 1.13 3.11 0.64 0.91 116.57 122.69 1wgw h LYS 37 Ca 0.34 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 58.04 1wgw h LYS 37 Cb 0.86 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1wgw h LYS 37 CO -0.09 0.56 -1.19 0.93 -2.81 0.00 0.00 179.45 176.85 1wgw h GLU 38 N 0.00 0.00 0.00 1.90 4.39 0.15 -3.23 114.58 117.79 1wgw h GLU 38 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wgw h GLU 38 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1wgw h GLU 38 CO 0.07 0.30 -0.33 0.28 -1.16 0.00 0.00 179.01 178.17 1wgw h VAL 39 N 0.00 0.00 -1.00 3.13 2.07 0.22 -3.29 116.25 117.38 1wgw h VAL 39 Ca -0.12 -0.93 0.36 0.00 0.82 0.00 0.00 66.70 66.83 1wgw h VAL 39 Cb 1.49 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.09 1wgw h VAL 39 CO 0.05 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.17 1wgw h THR 41 N 0.18 0.37 -0.83 0.00 2.02 -1.70 -0.14 112.91 112.81 1wgw h THR 41 Ca 0.78 0.00 0.20 0.00 0.77 0.00 0.00 66.41 68.15 1wgw h THR 41 Cb 1.89 0.37 -0.15 0.00 -1.74 0.00 0.00 68.15 68.52 1wgw h THR 41 CO -0.68 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.20 1wgw h ALA 42 N 0.36 0.86 -0.68 6.16 0.00 0.35 1.98 119.26 128.30 1wgw h ALA 42 Ca 0.06 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1wgw h ALA 42 Cb 0.51 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1wgw h ALA 42 CO -0.24 -0.45 0.35 -0.07 0.00 0.00 0.00 179.25 178.84 1wgw h LEU 43 N 0.08 0.85 -0.64 0.00 -0.00 -0.96 -0.88 115.31 113.75 1wgw h LEU 43 Ca 0.46 -0.07 -0.15 0.00 -0.00 0.00 0.00 57.88 58.12 1wgw h LEU 43 Cb 0.84 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 1wgw h LEU 43 CO -0.75 0.70 -0.67 -0.07 -0.00 0.00 0.00 178.44 177.64 1wgw h LEU 44 N 0.95 0.06 -0.01 1.67 3.38 0.38 -2.44 115.31 119.31 1wgw h LEU 44 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wgw h LEU 44 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wgw h LEU 44 CO -0.04 0.71 0.00 -0.62 0.09 0.00 0.00 178.44 178.59 1wgw n GLU 45 N -3.76 1.00 0.00 1.13 1.02 0.55 -4.24 120.64 116.34 1wgw n GLU 45 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1wgw n GLU 45 Cb 0.66 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.77 0.00 0.00 0.62 0.00 -0.71 -5.02 120.51 114.63 1wgw n ALA 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1wgw n ALA 46 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.63 0.00 -3.91 0.00 -0.08 -1.21 -5.12 116.55 105.61 1wgw n ASP 47 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 1wgw n ASP 47 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wgw n VAL 48 N 0.00 0.00 -3.37 5.18 0.24 -1.23 -5.09 118.33 114.06 1wgw n VAL 48 Ca 0.00 -1.25 -0.38 0.00 -2.04 0.00 0.00 64.34 60.67 1wgw n VAL 48 Cb 0.00 -0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 31.59 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 -3.40 6.78 0.24 -1.34 2.47 -1.26 -4.95 114.94 113.48 1wgw s ASN 49 Ca 0.41 0.93 -0.05 0.00 0.42 0.00 0.00 52.86 54.57 1wgw s ASN 49 Cb -0.03 -2.29 0.38 0.00 -1.45 0.00 0.00 41.25 37.86 1wgw s ASN 49 CO 0.26 0.15 1.82 -0.29 -3.72 0.00 0.00 177.10 175.32 1wgw h ILE 50 N 4.21 0.95 -0.36 -5.21 6.09 -1.98 0.19 117.51 121.40 1wgw h ILE 50 Ca -0.46 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 62.73 1wgw h ILE 50 Cb 1.20 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 1wgw h ILE 50 CO 0.69 0.15 0.17 0.11 -3.07 0.00 0.00 178.15 176.21 1wgw h LYS 51 N 0.85 0.52 -0.08 2.19 1.79 -1.99 -0.89 116.57 118.97 1wgw h LYS 51 Ca 0.39 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.80 1wgw h LYS 51 Cb 0.30 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1wgw h LYS 51 CO -0.22 0.48 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.49 1wgw h LEU 52 N 0.44 -0.20 -1.96 2.94 3.38 -1.58 0.39 115.31 118.71 1wgw h LEU 52 Ca 0.12 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1wgw h LEU 52 Cb 0.13 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wgw h LEU 52 CO -0.01 -0.09 0.28 0.58 0.09 0.00 0.00 178.44 179.29 1wgw h VAL 53 N -0.08 0.83 -0.10 1.22 2.07 -0.42 0.51 116.25 120.27 1wgw h VAL 53 Ca 0.05 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 1wgw h VAL 53 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1wgw h VAL 53 CO -0.13 0.01 -0.42 0.11 0.02 0.00 0.00 177.57 177.17 1wgw h LYS 54 N 0.05 0.22 0.00 1.57 1.57 0.48 -2.14 116.57 118.32 1wgw h LYS 54 Ca 0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wgw h LYS 54 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1wgw h LYS 54 CO -0.01 0.61 -0.33 1.04 -0.57 0.00 0.00 179.45 180.18 1wgw n GLN 55 N -4.02 0.25 0.06 3.15 1.13 0.15 -4.04 117.38 114.06 1wgw n GLN 55 Ca -0.02 0.13 -0.03 0.00 -1.94 0.00 0.00 57.00 55.14 1wgw n GLN 55 Cb 0.48 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 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 -0.18 -0.05 1.08 6.46 -0.21 -2.77 115.31 119.64 1wgw h LEU 56 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1wgw h LEU 56 Cb 0.71 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1wgw h LEU 56 CO 0.00 0.09 -0.03 -2.11 -0.62 0.00 0.00 178.44 175.78 1wgw n ARG 57 N -3.82 -0.02 -0.16 1.25 1.85 -0.98 0.62 116.66 115.39 1wgw n ARG 57 Ca -0.03 0.75 -0.10 0.00 -1.00 0.00 0.00 57.85 57.47 1wgw n ARG 57 Cb 0.08 -1.12 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 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 -0.29 -0.83 2.89 4.11 -1.73 0.32 114.58 119.06 1wgw h GLU 58 Ca 0.01 0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.66 1wgw h GLU 58 Cb 0.02 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 1wgw h GLU 58 CO -0.05 -0.20 0.06 -0.91 0.07 0.00 0.00 179.01 177.99 1wgw h ASN 59 N -0.30 -0.30 -0.53 3.06 2.35 -0.24 1.78 115.58 121.40 1wgw h ASN 59 Ca 0.14 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1wgw h ASN 59 Cb 0.58 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 1wgw h ASN 59 CO -0.62 -0.20 0.26 0.58 -1.65 0.00 0.00 177.43 175.80 1wgw h VAL 60 N 0.11 1.19 -0.00 2.81 2.07 0.37 0.14 116.25 122.95 1wgw h VAL 60 Ca 0.47 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wgw h VAL 60 Cb 0.89 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1wgw h VAL 60 CO -0.71 0.22 -0.02 0.29 0.02 0.00 0.00 177.57 177.37 1wgw n LYS 61 N -4.36 0.08 0.10 1.57 4.76 0.51 -2.72 118.16 118.09 1wgw n LYS 61 Ca 0.05 -0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 1wgw n LYS 61 Cb 0.13 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 31.95 1wgw n LYS 61 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wgw h SER 62 N 0.01 0.00 -0.90 4.39 0.87 0.42 -3.31 113.55 115.03 1wgw h SER 62 Ca 0.00 -0.11 -0.62 0.00 -1.23 0.00 0.00 61.79 59.83 1wgw h SER 62 Cb 0.46 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.09 1wgw h SER 62 CO 0.00 0.05 0.28 0.00 -0.53 0.00 0.00 176.83 176.63 1wgw n ALA 63 N -1.98 5.84 -3.00 6.23 0.00 -0.84 -4.95 120.51 121.81 1wgw n ALA 63 Ca 0.02 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1wgw n ALA 63 Cb 0.49 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.86 0.00 -2.72 0.00 2.08 -1.25 -4.83 119.36 111.78 1wgw n ILE 64 Ca 0.56 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.87 1wgw n ILE 64 Cb 0.79 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.70 1wgw n ILE 64 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wgw s ASP 65 N 1.00 -0.27 -0.15 4.38 2.15 -1.26 -5.04 116.67 117.48 1wgw s ASP 65 Ca 0.00 -0.19 -0.20 0.00 0.43 0.00 0.00 52.55 52.59 1wgw s ASP 65 Cb 0.00 0.34 -0.24 0.00 -0.30 0.00 0.00 42.92 42.72 1wgw s ASP 65 CO 0.00 -0.02 0.46 -0.07 -0.17 0.00 0.00 175.17 175.36 1wgw h LEU 66 N 4.98 0.18 -1.70 -1.34 3.38 -1.99 -3.34 115.31 115.48 1wgw h LEU 66 Ca -0.03 -0.75 0.42 0.00 0.09 0.00 0.00 57.88 57.60 1wgw h LEU 66 Cb 1.22 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 1wgw h LEU 66 CO -0.09 1.48 0.96 1.05 0.09 0.00 0.00 178.44 181.93 1wgw h GLU 67 N -0.66 0.09 -3.24 1.13 4.11 -2.02 -3.21 114.58 110.77 1wgw h GLU 67 Ca -0.27 -0.01 -0.56 0.00 0.07 0.00 0.00 59.36 58.59 1wgw h GLU 67 Cb 1.48 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.31 1wgw h GLU 67 CO -0.05 0.06 -0.77 -1.21 0.07 0.00 0.00 179.01 177.11 1wgw s GLU 68 N -5.13 0.49 0.00 1.06 2.02 -1.25 -5.03 118.70 110.85 1wgw s GLU 68 Ca -0.06 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1wgw s GLU 68 Cb 0.27 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.85 1wgw s GLU 68 CO 0.83 -0.99 0.00 -1.33 0.02 0.00 0.00 175.26 173.79 1wgw n MET 69 N 5.02 0.00 0.00 1.61 2.81 -1.21 -4.81 117.12 120.54 1wgw n MET 69 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1wgw n MET 69 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 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 0.00 0.10 3.04 0.00 -1.26 -4.99 120.51 114.40 1wgw n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgw n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -1.02 0.00 0.00 2.88 -1.26 -5.10 113.62 109.11 1wgw n SER 71 Ca 0.00 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1wgw n SER 71 Cb 0.00 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 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 0.28 -0.60 0.00 0.46 0.00 -1.26 -4.66 105.19 99.41 1wgw n GLY 72 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.24 0.99 4.77 -1.26 -4.84 117.00 116.90 1wgw n LEU 73 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1wgw n LEU 73 Cb 0.00 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 1wgw n LEU 73 CO 0.00 0.00 0.88 0.78 -1.33 0.00 0.00 177.39 177.72 1wgw h ASN 74 N 0.00 0.00 -0.38 -1.43 4.21 -2.00 -3.21 115.58 112.76 1wgw h ASN 74 Ca 0.00 0.00 0.08 0.00 1.21 0.00 0.00 56.30 57.59 1wgw h ASN 74 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 1wgw h ASN 74 CO 0.00 0.00 -0.10 0.11 -1.29 0.00 0.00 177.43 176.15 1wgw h LYS 75 N 0.00 -0.00 -0.17 0.81 6.56 -1.98 0.44 116.57 122.23 1wgw h LYS 75 Ca 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 1wgw h LYS 75 Cb 0.81 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 1wgw h LYS 75 CO 0.00 -0.00 0.13 0.00 -2.06 0.00 0.00 179.45 177.52 1wgw h ARG 76 N -0.00 0.00 0.00 3.15 -0.00 -1.88 0.30 114.38 115.96 1wgw h ARG 76 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1wgw h ARG 76 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.25 1wgw h ARG 76 CO -0.39 0.00 0.00 1.63 0.00 0.00 0.00 179.97 181.21 1wgw n LYS 77 N -4.36 0.00 -0.03 0.04 4.76 0.12 -1.37 118.16 117.32 1wgw n LYS 77 Ca 0.01 0.47 0.24 0.00 -2.87 0.00 0.00 58.31 56.16 1wgw n LYS 77 Cb 0.26 -1.10 0.66 0.00 -1.84 0.00 0.00 35.03 33.01 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 0.07 1.97 -0.00 -0.48 1.49 114.93 117.98 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 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1wgw h MET 78 CO 0.00 0.00 -1.12 0.82 -0.00 0.00 0.00 176.91 176.61 1wgw h ILE 79 N 0.00 1.56 0.00 -0.10 2.04 -0.45 -0.72 117.51 119.84 1wgw h ILE 79 Ca 0.31 -3.11 -0.04 0.00 1.00 0.00 0.00 64.86 63.02 1wgw h ILE 79 Cb 1.69 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 40.61 1wgw h ILE 79 CO -0.00 0.90 -0.19 1.56 0.00 0.00 0.00 178.15 180.42 1wgw h GLN 80 N 0.06 0.00 0.04 2.37 4.20 0.33 -3.05 115.11 119.06 1wgw h GLN 80 Ca -0.08 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1wgw h GLN 80 Cb 1.84 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.60 1wgw h GLN 80 CO 0.17 0.19 -1.37 1.25 -0.67 0.00 0.00 178.83 178.40 1wgw h HIS 81 N 0.00 0.15 -0.15 2.96 2.76 -1.17 -3.32 115.15 116.38 1wgw h HIS 81 Ca -0.00 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1wgw h HIS 81 Cb 0.71 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 1wgw h HIS 81 CO 0.00 1.54 -0.11 0.00 -1.30 0.00 0.00 177.93 178.05 1wgw h ALA 82 N -0.30 -0.22 -0.25 5.26 0.00 -1.11 0.83 119.26 123.48 1wgw h ALA 82 Ca -0.34 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wgw h ALA 82 Cb 1.49 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 20.22 1wgw h ALA 82 CO -0.11 -0.29 -0.18 0.28 0.00 0.00 0.00 179.25 178.95 1wgw h VAL 83 N -0.03 0.00 -0.91 0.00 2.07 -1.74 0.19 116.25 115.83 1wgw h VAL 83 Ca 0.02 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.74 1wgw h VAL 83 Cb 0.10 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.69 1wgw h VAL 83 CO -0.16 0.00 -0.18 -0.26 0.02 0.00 0.00 177.57 176.99 1wgw h PHE 84 N -0.04 -0.40 -0.06 1.57 -1.00 -1.44 0.65 116.94 116.21 1wgw h PHE 84 Ca 0.04 0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.92 1wgw h PHE 84 Cb 0.15 0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.99 1wgw h PHE 84 CO -0.85 -0.39 -0.35 -0.22 -1.61 0.00 0.00 178.31 174.89 1wgw h LYS 85 N 0.01 -0.38 -0.04 1.51 3.64 0.36 0.71 116.57 122.37 1wgw h LYS 85 Ca 0.46 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.88 1wgw h LYS 85 Cb 0.74 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1wgw h LYS 85 CO -0.92 -0.26 0.37 1.49 -2.27 0.00 0.00 179.45 177.87 1wgw h GLU 86 N -0.40 0.00 0.07 1.90 4.22 0.59 1.54 114.58 122.49 1wgw h GLU 86 Ca 0.02 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.32 1wgw h GLU 86 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wgw h GLU 86 CO -0.26 0.00 -0.56 -0.07 -2.18 0.00 0.00 179.01 175.93 1wgw h LEU 87 N 0.00 0.38 0.00 1.64 3.38 0.21 -1.40 115.31 119.52 1wgw h LEU 87 Ca 0.02 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1wgw h LEU 87 Cb 0.77 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wgw h LEU 87 CO -0.00 1.23 -0.11 1.62 0.09 0.00 0.00 178.44 181.27 1wgw h VAL 88 N -0.42 0.00 0.00 1.22 3.04 0.37 -3.39 116.25 117.07 1wgw h VAL 88 Ca -0.09 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1wgw h VAL 88 Cb 1.38 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 1wgw h VAL 88 CO 0.11 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.96 1wgw n LYS 89 N -2.41 0.00 -1.51 4.17 5.02 0.49 -5.07 118.16 118.84 1wgw n LYS 89 Ca 0.05 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.44 1wgw n LYS 89 Cb 0.45 -0.18 -0.05 0.00 -0.02 0.00 0.00 35.03 35.23 1wgw n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wgw n VAL 90 N -0.45 -1.79 -2.15 -0.18 0.31 -0.53 -4.98 118.33 108.55 1wgw n VAL 90 Ca 0.00 1.17 -0.00 0.00 -0.01 0.00 0.00 64.34 65.49 1wgw n VAL 90 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 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 -3.61 -1.81 -0.01 5.55 3.00 -1.26 -5.04 118.16 114.98 1wgw n LYS 91 Ca -0.05 1.69 -0.01 0.00 -0.00 0.00 0.00 58.31 59.94 1wgw n LYS 91 Cb 0.59 -3.37 -0.00 0.00 0.00 0.00 0.00 35.03 32.25 1wgw n LYS 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1wgw n VAL 92 N 0.30 0.18 -3.50 3.15 0.31 -1.26 -5.11 118.33 112.40 1wgw n VAL 92 Ca 0.01 0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 64.75 1wgw n VAL 92 Cb 0.02 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.65 -1.45 0.00 3.52 4.11 -1.26 -5.12 117.16 114.32 1wgw n TYR 93 Ca -0.01 -0.96 0.00 0.00 -0.00 0.00 0.00 57.90 56.92 1wgw n TYR 93 Cb 0.05 0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 1wgw n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1wgw n SER 94 N -1.43 0.00 0.00 9.48 3.41 -1.26 -5.02 113.62 118.80 1wgw n SER 94 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1wgw n SER 94 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgw n GLY 95 N 0.00 0.40 0.13 5.00 0.00 -1.26 -4.82 105.19 104.64 1wgw n GLY 95 Ca 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.21 -5.55 1.61 0.13 -1.98 -3.49 132.00 122.52 1wgw h PRO 96 Ca 0.00 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 1wgw h PRO 96 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1wgw h PRO 96 CO 0.00 0.15 -0.47 -1.13 -0.23 0.00 0.00 178.00 176.32 1wgw n SER 97 N -4.90 -7.44 -4.75 1.44 3.41 -1.26 -4.88 113.62 95.24 1wgw n SER 97 Ca -0.06 0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 1wgw n SER 97 Cb 0.22 -4.71 0.01 0.00 -0.26 0.00 0.00 64.21 59.48 1wgw n SER 97 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgw n SER 98 N -0.88 3.24 0.00 4.04 2.88 -1.26 -5.26 113.62 116.37 1wgw n SER 98 Ca 0.03 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1wgw n SER 98 Cb 0.51 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42