#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 -8.00 -3.63 1.61 2.88 -1.26 -5.08 113.62 100.13 1wgw n SER 2 Ca 0.00 1.62 -0.05 0.00 -1.33 0.00 0.00 58.87 59.11 1wgw n SER 2 Cb 0.00 -4.75 -0.06 0.00 -0.75 0.00 0.00 64.21 58.64 1wgw n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgw s SER 3 N -0.54 -0.87 0.05 -3.46 1.04 -1.26 -5.04 113.70 103.62 1wgw s SER 3 Ca -0.02 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1wgw s SER 3 Cb 0.00 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.60 1wgw s SER 3 CO 0.06 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1wgw n GLY 4 N 4.36 -0.21 3.33 7.32 0.00 -1.26 -4.87 105.19 113.87 1wgw n GLY 4 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1wgw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgw s SER 5 N -4.00 -0.54 0.00 1.61 1.04 -1.26 -4.56 113.70 106.00 1wgw s SER 5 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1wgw s SER 5 Cb 0.00 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1wgw s SER 5 CO 0.00 -0.21 0.00 -0.24 0.98 0.00 0.00 173.24 173.77 1wgw n SER 6 N 4.59 0.00 -3.93 7.02 2.88 -1.26 -5.11 113.62 117.82 1wgw n SER 6 Ca -0.19 -0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 56.10 1wgw n SER 6 Cb 0.54 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.87 1wgw n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgw s GLY 7 N -1.36 2.71 0.00 0.46 0.00 -1.26 -4.75 107.32 103.11 1wgw s GLY 7 Ca 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 44.72 41.15 1wgw s GLY 7 CO 0.00 1.05 0.73 0.00 0.00 0.00 0.00 173.10 174.88 1wgw n ALA 8 N 2.52 -0.22 0.02 3.20 0.00 -1.26 -1.48 120.51 123.29 1wgw n ALA 8 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1wgw n ALA 8 Cb 0.34 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 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 0.37 0.38 0.00 1.82 -1.98 -3.01 116.42 114.00 1wgw h ASP 9 Ca 0.00 -0.70 -0.02 0.00 -0.39 0.00 0.00 57.03 55.92 1wgw h ASP 9 Cb 0.00 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.89 1wgw h ASP 9 CO 0.00 1.62 -0.18 0.25 -1.61 0.00 0.00 179.24 179.32 1wgw h LEU 10 N 0.06 -0.43 -1.88 2.28 5.85 -1.94 -2.87 115.31 116.38 1wgw h LEU 10 Ca -0.35 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1wgw h LEU 10 Cb 2.04 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.17 1wgw h LEU 10 CO 0.12 -0.09 0.13 1.23 -0.34 0.00 0.00 178.44 179.48 1wgw h GLY 11 N -0.79 0.18 1.45 3.75 0.00 -1.44 -0.69 103.07 105.53 1wgw h GLY 11 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1wgw h GLY 11 CO 0.08 0.06 0.33 -0.09 0.00 0.00 0.00 176.54 176.92 1wgw h ARG 12 N 0.16 0.58 -0.92 4.80 1.12 -1.28 1.00 114.38 119.84 1wgw h ARG 12 Ca 0.08 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.95 1wgw h ARG 12 Cb 0.11 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 29.89 1wgw h ARG 12 CO -0.01 0.39 0.60 0.87 -3.11 0.00 0.00 179.97 178.71 1wgw h LYS 13 N 0.60 1.13 0.08 0.20 1.57 -0.91 -2.12 116.57 117.12 1wgw h LYS 13 Ca 0.19 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 1wgw h LYS 13 Cb 0.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1wgw h LYS 13 CO -0.05 0.75 -1.57 0.82 -0.57 0.00 0.00 179.45 178.83 1wgw h ILE 14 N 1.16 1.08 -1.03 1.86 2.04 -1.18 -3.33 117.51 118.11 1wgw h ILE 14 Ca 0.36 -2.78 0.32 0.00 1.00 0.00 0.00 64.86 63.77 1wgw h ILE 14 Cb 0.00 2.67 -0.14 0.00 -0.74 0.00 0.00 36.82 38.60 1wgw h ILE 14 CO -0.11 0.77 0.60 0.74 0.00 0.00 0.00 178.15 180.15 1wgw h THR 15 N 0.05 0.31 -0.18 -0.27 2.02 0.16 1.25 112.91 116.25 1wgw h THR 15 Ca -0.25 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 1wgw h THR 15 Cb 2.00 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1wgw h THR 15 CO 0.13 0.06 -0.60 -1.28 0.37 0.00 0.00 175.52 174.20 1wgw h SER 16 N 0.32 0.67 0.44 4.18 0.87 -1.57 -2.55 113.55 115.91 1wgw h SER 16 Ca 0.73 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1wgw h SER 16 Cb 1.71 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1wgw h SER 16 CO -0.57 1.12 -0.23 0.00 -0.53 0.00 0.00 176.83 176.62 1wgw h ALA 17 N 0.89 -1.14 -0.98 6.23 0.00 0.14 -1.48 119.26 122.92 1wgw h ALA 17 Ca -0.00 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.06 1wgw h ALA 17 Cb 1.17 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1wgw h ALA 17 CO 0.12 -1.10 0.77 -0.07 0.00 0.00 0.00 179.25 178.96 1wgw h LEU 18 N -0.61 0.00 -0.06 0.00 3.38 -1.13 0.39 115.31 117.28 1wgw h LEU 18 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wgw h LEU 18 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wgw h LEU 18 CO 0.09 0.00 0.03 -0.09 0.09 0.00 0.00 178.44 178.55 1wgw h ARG 19 N 0.00 0.08 -1.55 1.13 2.43 -0.91 -2.20 114.38 113.36 1wgw h ARG 19 Ca 0.47 -0.01 0.47 0.00 -0.81 0.00 0.00 59.98 60.10 1wgw h ARG 19 Cb 1.99 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.43 1wgw h ARG 19 CO -0.00 0.19 1.06 1.03 -1.51 0.00 0.00 179.97 180.74 1wgw h SER 20 N -0.04 0.12 0.16 -3.80 0.87 0.79 0.72 113.55 112.38 1wgw h SER 20 Ca 0.02 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1wgw h SER 20 Cb 0.13 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1wgw h SER 20 CO -0.00 -0.09 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.06 1wgw h LEU 21 N 0.04 -0.18 -1.68 2.23 3.38 -1.43 -2.55 115.31 115.13 1wgw h LEU 21 Ca 0.83 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 58.58 1wgw h LEU 21 Cb 2.98 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 43.76 1wgw h LEU 21 CO -0.22 0.39 0.62 -1.28 0.09 0.00 0.00 178.44 178.05 1wgw h SER 22 N -0.88 0.00 -0.64 -0.43 0.87 0.61 1.27 113.55 114.36 1wgw h SER 22 Ca -0.02 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.10 1wgw h SER 22 Cb 0.52 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.18 1wgw h SER 22 CO 0.04 0.00 -0.35 0.59 -0.53 0.00 0.00 176.83 176.58 1wgw n ASN 23 N -3.40 4.56 -4.57 6.23 3.02 -0.05 -5.00 115.26 116.04 1wgw n ASN 23 Ca 0.09 -3.78 -0.30 0.00 -0.03 0.00 0.00 54.58 50.55 1wgw n ASN 23 Cb 0.79 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgw s ALA 24 N -3.53 2.94 -0.25 5.41 0.00 0.44 -4.94 121.76 121.82 1wgw s ALA 24 Ca 0.51 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1wgw s ALA 24 Cb 0.42 -0.91 -0.18 0.00 0.00 0.00 0.00 23.12 22.45 1wgw s ALA 24 CO 0.01 0.63 -0.18 2.41 0.00 0.00 0.00 175.76 178.64 1wgw n THR 25 N 0.86 1.50 -3.95 0.00 -1.04 -1.26 -4.89 114.28 105.50 1wgw n THR 25 Ca -0.14 -0.60 -0.35 0.00 -2.04 0.00 0.00 64.05 60.92 1wgw n THR 25 Cb 0.52 -1.36 -0.14 0.00 -1.82 0.00 0.00 70.33 67.54 1wgw n THR 25 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1wgw s ILE 26 N -2.52 3.42 -0.72 12.58 -1.09 -1.26 -5.05 121.20 126.55 1wgw s ILE 26 Ca -0.32 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 1wgw s ILE 26 Cb 0.09 -2.55 0.19 0.00 -1.58 0.00 0.00 42.46 38.60 1wgw s ILE 26 CO 0.63 0.43 0.62 -0.63 -1.23 0.00 0.00 174.94 174.75 1wgw s ILE 27 N 1.41 4.95 0.10 2.92 -1.09 -1.26 -4.75 121.20 123.48 1wgw s ILE 27 Ca 0.05 -2.46 0.01 0.00 -2.23 0.00 0.00 60.65 56.02 1wgw s ILE 27 Cb -0.14 -4.12 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1wgw s ILE 27 CO -0.03 -0.95 0.04 -0.46 -1.23 0.00 0.00 174.94 172.31 1wgw n ASN 28 N 4.04 0.92 -0.09 3.58 0.23 -1.26 -5.03 115.26 117.66 1wgw n ASN 28 Ca 0.08 -1.52 -0.08 0.00 -0.53 0.00 0.00 54.58 52.53 1wgw n ASN 28 Cb 0.43 0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.27 -0.29 -3.83 4.81 -1.95 -2.98 114.58 110.62 1wgw h GLU 29 Ca -0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1wgw h GLU 29 Cb 0.29 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1wgw h GLU 29 CO 0.12 0.18 -0.33 1.49 -0.73 0.00 0.00 179.01 179.74 1wgw h GLU 30 N 0.28 -0.19 0.00 1.92 4.57 -1.96 0.74 114.58 119.94 1wgw h GLU 30 Ca 0.13 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1wgw h GLU 30 Cb 0.07 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1wgw h GLU 30 CO -0.11 -0.12 0.00 0.28 -1.18 0.00 0.00 179.01 177.87 1wgw n VAL 31 N -4.26 0.00 -0.16 0.32 0.31 -1.14 0.22 118.33 113.62 1wgw n VAL 31 Ca -0.02 1.41 -0.11 0.00 -0.01 0.00 0.00 64.34 65.62 1wgw n VAL 31 Cb 0.19 -1.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.14 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 -1.58 -0.74 7.52 6.46 -1.31 1.28 115.31 126.93 1wgw h LEU 32 Ca 0.00 0.21 0.12 0.00 -0.12 0.00 0.00 57.88 58.09 1wgw h LEU 32 Cb 0.00 0.66 -0.13 0.00 -0.73 0.00 0.00 40.66 40.46 1wgw h LEU 32 CO 0.00 -0.31 -0.39 -1.13 -0.62 0.00 0.00 178.44 175.99 1wgw h ASN 33 N -0.27 -1.39 -0.36 1.25 -1.24 0.19 1.22 115.58 114.98 1wgw h ASN 33 Ca 0.07 0.27 0.04 0.00 0.71 0.00 0.00 56.30 57.39 1wgw h ASN 33 Cb 0.46 0.68 -0.04 0.00 0.73 0.00 0.00 38.32 40.15 1wgw h ASN 33 CO -0.54 -0.30 0.11 0.00 -1.29 0.00 0.00 177.43 175.41 1wgw h ALA 34 N 1.00 0.41 -0.84 1.57 0.00 0.48 -1.54 119.26 120.34 1wgw h ALA 34 Ca 0.25 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1wgw h ALA 34 Cb 0.56 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1wgw h ALA 34 CO -0.80 -0.28 0.52 1.98 0.00 0.00 0.00 179.25 180.67 1wgw h MET 35 N 0.26 0.93 -0.00 0.00 1.85 0.63 0.23 114.93 118.81 1wgw h MET 35 Ca 0.17 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1wgw h MET 35 Cb 0.15 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 31.97 1wgw h MET 35 CO -0.18 0.61 0.00 -0.07 -0.40 0.00 0.00 176.91 176.87 1wgw h LEU 36 N 0.95 0.00 -0.45 3.39 3.38 0.22 0.12 115.31 122.93 1wgw h LEU 36 Ca 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 1wgw h LEU 36 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wgw h LEU 36 CO -0.17 0.00 -0.36 0.50 0.09 0.00 0.00 178.44 178.50 1wgw h LYS 37 N 0.00 0.90 0.00 1.13 3.64 -0.04 0.87 116.57 123.07 1wgw h LYS 37 Ca 0.00 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1wgw h LYS 37 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1wgw h LYS 37 CO -0.00 1.11 -0.69 0.93 -2.27 0.00 0.00 179.45 178.53 1wgw h GLU 38 N 0.74 0.00 0.00 1.90 4.39 -0.83 -3.23 114.58 117.55 1wgw h GLU 38 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1wgw h GLU 38 Cb 0.94 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1wgw h GLU 38 CO 0.09 0.24 -0.15 0.28 -1.16 0.00 0.00 179.01 178.31 1wgw h VAL 39 N 0.00 0.34 -1.00 3.13 2.07 -0.71 -3.24 116.25 116.84 1wgw h VAL 39 Ca -0.04 -1.28 0.37 0.00 0.82 0.00 0.00 66.70 66.57 1wgw h VAL 39 Cb 1.26 0.66 -0.16 0.00 -1.52 0.00 0.00 31.29 31.53 1wgw h VAL 39 CO 0.03 0.11 0.54 0.00 0.02 0.00 0.00 177.57 178.28 1wgw h THR 41 N 0.16 0.48 -0.84 0.00 2.02 -1.65 -0.59 112.91 112.49 1wgw h THR 41 Ca 0.79 0.00 0.16 0.00 0.77 0.00 0.00 66.41 68.13 1wgw h THR 41 Cb 1.94 0.48 -0.16 0.00 -1.74 0.00 0.00 68.15 68.68 1wgw h THR 41 CO -0.69 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 174.95 1wgw h ALA 42 N 0.36 0.46 -0.28 6.16 0.00 0.60 1.68 119.26 128.23 1wgw h ALA 42 Ca 0.03 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1wgw h ALA 42 Cb 0.45 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wgw h ALA 42 CO -0.14 -0.45 0.14 -0.07 0.00 0.00 0.00 179.25 178.73 1wgw h LEU 43 N -0.02 0.20 -1.66 0.00 -0.00 -1.09 0.82 115.31 113.56 1wgw h LEU 43 Ca 0.39 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.26 1wgw h LEU 43 Cb 0.61 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 1wgw h LEU 43 CO -0.87 0.15 0.03 -0.07 -0.00 0.00 0.00 178.44 177.68 1wgw h LEU 44 N 0.29 0.21 -0.62 1.67 3.38 0.19 0.23 115.31 120.67 1wgw h LEU 44 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wgw h LEU 44 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1wgw h LEU 44 CO -0.08 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 178.06 1wgw n GLU 45 N -4.42 1.41 0.00 1.13 1.02 0.51 -4.45 120.64 115.84 1wgw n GLU 45 Ca -0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1wgw n GLU 45 Cb 0.15 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.17 0.30 -2.65 0.62 0.00 0.76 -5.01 120.51 114.36 1wgw n ALA 46 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1wgw n ALA 46 Cb 0.22 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.35 -1.07 -4.37 0.00 2.03 -0.85 -5.09 116.55 106.85 1wgw n ASP 47 Ca 0.00 -1.61 -0.20 0.00 0.52 0.00 0.00 54.79 53.50 1wgw n ASP 47 Cb 0.00 1.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.02 1.88 0.40 5.18 1.01 -1.20 -5.07 120.40 122.62 1wgw s VAL 48 Ca 0.21 -2.23 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 1wgw s VAL 48 Cb 0.29 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1wgw s VAL 48 CO -0.21 -0.54 0.78 0.21 0.00 0.00 0.00 175.10 175.34 1wgw s ASN 49 N -3.32 6.55 0.24 3.32 2.47 -1.26 -4.79 114.94 118.14 1wgw s ASN 49 Ca 0.24 1.17 -0.06 0.00 0.42 0.00 0.00 52.86 54.62 1wgw s ASN 49 Cb -0.02 -2.34 0.28 0.00 -1.45 0.00 0.00 41.25 37.73 1wgw s ASN 49 CO 0.08 -0.39 1.88 -0.29 -3.72 0.00 0.00 177.10 174.66 1wgw h ILE 50 N 1.16 1.12 -0.47 -5.21 6.09 -2.01 0.74 117.51 118.94 1wgw h ILE 50 Ca -0.47 -0.37 -0.04 0.00 -1.37 0.00 0.00 64.86 62.61 1wgw h ILE 50 Cb 1.19 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.41 1wgw h ILE 50 CO 0.64 0.20 0.12 0.11 -3.07 0.00 0.00 178.15 176.14 1wgw h LYS 51 N 1.07 0.75 0.20 2.19 1.79 -1.98 -1.32 116.57 119.27 1wgw h LYS 51 Ca 0.36 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1wgw h LYS 51 Cb 0.04 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1wgw h LYS 51 CO -0.13 0.73 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.81 1wgw h LEU 52 N 0.63 -0.23 -2.15 2.94 -0.00 -1.66 0.15 115.31 115.00 1wgw h LEU 52 Ca 0.15 -0.14 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1wgw h LEU 52 Cb 0.32 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1wgw h LEU 52 CO 0.00 0.01 0.30 0.58 -0.00 0.00 0.00 178.44 179.33 1wgw h VAL 53 N -0.46 0.12 0.00 1.22 2.07 0.56 1.31 116.25 121.07 1wgw h VAL 53 Ca -0.03 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1wgw h VAL 53 Cb 0.35 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1wgw h VAL 53 CO 0.05 0.00 -1.29 0.29 0.02 0.00 0.00 177.57 176.63 1wgw n LYS 54 N -3.17 0.62 0.08 1.57 5.02 -0.51 -3.24 118.16 118.53 1wgw n LYS 54 Ca -0.00 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 1wgw n LYS 54 Cb 0.38 -1.82 0.24 0.00 -0.02 0.00 0.00 35.03 33.81 1wgw n LYS 54 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1wgw h GLN 55 N 0.00 0.00 0.00 1.97 3.07 0.43 -3.33 115.11 117.26 1wgw h GLN 55 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1wgw h GLN 55 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.98 1wgw h GLN 55 CO 0.03 0.00 -0.22 1.25 0.09 0.00 0.00 178.83 179.98 1wgw h LEU 56 N 0.00 0.00 -0.91 0.06 6.46 -0.50 -2.88 115.31 117.54 1wgw h LEU 56 Ca 0.00 -0.12 0.19 0.00 -0.12 0.00 0.00 57.88 57.82 1wgw h LEU 56 Cb 0.75 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.51 1wgw h LEU 56 CO 0.00 0.68 -0.22 -2.11 -0.62 0.00 0.00 178.44 176.17 1wgw n ARG 57 N -4.70 -0.08 0.28 1.25 1.85 -1.20 0.24 116.66 114.30 1wgw n ARG 57 Ca -0.05 1.42 -0.15 0.00 -1.00 0.00 0.00 57.85 58.07 1wgw n ARG 57 Cb 0.16 -2.13 -0.08 0.00 -1.05 0.00 0.00 32.46 29.36 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 -0.82 2.89 4.11 -1.72 0.26 114.58 118.62 1wgw h GLU 58 Ca 0.44 0.05 0.24 0.00 0.07 0.00 0.00 59.36 60.16 1wgw h GLU 58 Cb 0.69 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1wgw h GLU 58 CO -0.94 -0.38 0.81 -0.97 0.07 0.00 0.00 179.01 177.60 1wgw h ASN 59 N -0.92 0.00 0.00 3.06 -0.73 -0.24 1.64 115.58 118.38 1wgw h ASN 59 Ca -0.07 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 1wgw h ASN 59 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 1wgw h ASN 59 CO 0.12 0.00 -0.00 0.58 -0.37 0.00 0.00 177.43 177.76 1wgw h VAL 60 N 0.00 0.95 0.00 2.57 2.07 0.36 -2.98 116.25 119.22 1wgw h VAL 60 Ca 0.39 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1wgw h VAL 60 Cb 2.00 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1wgw h VAL 60 CO -0.00 0.32 -0.04 0.11 0.02 0.00 0.00 177.57 177.97 1wgw h LYS 61 N -1.00 0.00 0.00 1.57 1.57 0.16 0.20 116.57 119.08 1wgw h LYS 61 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wgw h LYS 61 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1wgw h LYS 61 CO 0.00 0.04 -0.10 1.03 -0.57 0.00 0.00 179.45 179.85 1wgw h SER 62 N 0.00 0.00 1.27 0.86 0.87 0.21 -2.57 113.55 114.19 1wgw h SER 62 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1wgw h SER 62 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1wgw h SER 62 CO 0.01 0.10 -0.36 0.00 -0.53 0.00 0.00 176.83 176.05 1wgw h ALA 63 N 1.90 0.85 -3.00 6.23 0.00 -0.43 -3.44 119.26 121.36 1wgw h ALA 63 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wgw h ALA 63 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wgw h ALA 63 CO 0.01 0.45 0.00 -0.89 0.00 0.00 0.00 179.25 178.82 1wgw n ILE 64 N -3.31 0.00 0.16 0.00 2.08 -0.97 -5.07 119.36 112.26 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 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 1wgw n ILE 64 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wgw n ASP 65 N 0.00 -2.83 0.00 4.38 8.00 -1.25 -5.04 116.55 119.81 1wgw n ASP 65 Ca 0.00 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1wgw n ASP 65 Cb 0.00 2.77 0.00 0.00 -0.02 0.00 0.00 41.12 43.87 1wgw n ASP 65 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wgw n LEU 66 N -3.20 0.00 -0.33 0.64 4.77 -1.26 -4.54 117.00 113.08 1wgw n LEU 66 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1wgw n LEU 66 Cb 0.00 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.43 1wgw n LEU 66 CO 0.00 0.00 1.12 1.05 -1.33 0.00 0.00 177.39 178.23 1wgw h GLU 67 N 0.00 0.52 -3.13 3.23 4.11 -1.98 -3.21 114.58 114.12 1wgw h GLU 67 Ca 0.00 -0.03 -0.62 0.00 0.07 0.00 0.00 59.36 58.78 1wgw h GLU 67 Cb 0.00 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 28.73 1wgw h GLU 67 CO 0.00 0.35 -0.70 -1.83 0.07 0.00 0.00 179.01 176.90 1wgw s GLU 68 N -5.84 1.53 -0.00 1.06 4.04 -1.26 -4.86 118.70 113.38 1wgw s GLU 68 Ca -0.11 -2.23 0.04 0.00 0.04 0.00 0.00 54.97 52.70 1wgw s GLU 68 Cb 0.26 -2.69 -0.05 0.00 0.02 0.00 0.00 34.13 31.68 1wgw s GLU 68 CO 0.79 -1.14 0.13 -1.33 -1.84 0.00 0.00 175.26 171.86 1wgw n MET 69 N 3.38 3.69 0.00 -4.83 2.81 -1.22 -4.88 117.12 116.07 1wgw n MET 69 Ca 0.07 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1wgw n MET 69 Cb 0.34 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 -1.29 0.00 -1.06 3.04 0.00 -1.26 -3.54 120.51 116.40 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1wgw n ALA 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgw n SER 71 N 1.99 0.00 0.00 0.00 2.88 -1.26 -5.12 113.62 112.11 1wgw n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wgw n SER 71 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 3.15 -0.38 0.00 0.46 0.00 -1.23 -4.89 105.19 102.30 1wgw n GLY 72 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.32 0.99 4.32 -1.26 -4.73 117.00 116.64 1wgw n LEU 73 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.18 1wgw n LEU 73 Cb 0.00 0.00 1.05 0.00 -1.62 0.00 0.00 43.42 42.85 1wgw n LEU 73 CO 0.00 0.00 1.15 0.78 -1.22 0.00 0.00 177.39 178.10 1wgw h ASN 74 N 0.00 0.00 -0.03 -1.43 4.21 -1.99 -3.10 115.58 113.24 1wgw h ASN 74 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wgw h ASN 74 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1wgw h ASN 74 CO 0.00 0.00 -0.02 0.29 -1.29 0.00 0.00 177.43 176.41 1wgw n LYS 75 N -3.48 -0.01 -0.33 0.81 4.76 -1.26 0.17 118.16 118.82 1wgw n LYS 75 Ca -0.03 0.97 0.20 0.00 -2.87 0.00 0.00 58.31 56.59 1wgw n LYS 75 Cb 0.08 -1.46 0.42 0.00 -1.84 0.00 0.00 35.03 32.23 1wgw n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgw h ARG 76 N 0.00 0.32 0.00 1.97 3.08 -1.83 1.61 114.38 119.54 1wgw h ARG 76 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wgw h ARG 76 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1wgw h ARG 76 CO -0.03 0.21 0.00 1.63 -1.07 0.00 0.00 179.97 180.71 1wgw n LYS 77 N -5.07 0.00 0.17 0.04 4.76 0.29 -0.05 118.16 118.29 1wgw n LYS 77 Ca 0.29 0.41 0.18 0.00 -2.87 0.00 0.00 58.31 56.32 1wgw n LYS 77 Cb 0.88 -1.29 0.69 0.00 -1.84 0.00 0.00 35.03 33.47 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 0.24 1.53 114.93 118.67 1wgw h MET 78 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.52 1wgw h MET 78 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1wgw h MET 78 CO 0.00 0.00 -0.93 0.82 -0.00 0.00 0.00 176.91 176.80 1wgw h ILE 79 N 0.00 1.35 0.00 -0.10 2.04 0.25 0.11 117.51 121.16 1wgw h ILE 79 Ca 0.14 -2.96 -0.08 0.00 1.00 0.00 0.00 64.86 62.96 1wgw h ILE 79 Cb 1.17 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1wgw h ILE 79 CO -0.00 0.77 -0.40 0.06 0.00 0.00 0.00 178.15 178.58 1wgw h GLN 80 N 0.00 0.00 0.05 2.37 -0.00 0.58 -3.16 115.11 114.95 1wgw h GLN 80 Ca -0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.27 1wgw h GLN 80 Cb 1.67 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 29.11 1wgw h GLN 80 CO 0.10 0.40 -2.03 1.58 -0.00 0.00 0.00 178.83 178.89 1wgw n HIS 81 N -3.24 0.81 -0.13 0.06 -0.00 -0.35 -3.44 115.22 108.93 1wgw n HIS 81 Ca 0.02 0.22 -0.04 0.00 0.46 0.00 0.00 57.72 58.38 1wgw n HIS 81 Cb 0.67 -1.12 0.03 0.00 -0.12 0.00 0.00 29.99 29.44 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 0.50 0.33 0.19 1.57 0.00 -0.83 0.60 119.26 121.64 1wgw h ALA 82 Ca -0.42 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wgw h ALA 82 Cb 2.04 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1wgw h ALA 82 CO 0.05 -0.43 -0.09 0.28 0.00 0.00 0.00 179.25 179.06 1wgw h VAL 83 N 0.05 0.89 -0.90 0.00 2.07 -1.72 -0.86 116.25 115.78 1wgw h VAL 83 Ca 0.21 -0.43 0.22 0.00 0.82 0.00 0.00 66.70 67.52 1wgw h VAL 83 Cb 0.31 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1wgw h VAL 83 CO -0.40 0.10 0.61 -0.26 0.02 0.00 0.00 177.57 177.63 1wgw h PHE 84 N -0.47 0.38 0.00 1.57 -1.00 -1.38 0.99 116.94 117.04 1wgw h PHE 84 Ca -0.03 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 1wgw h PHE 84 Cb 0.36 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1wgw h PHE 84 CO -0.00 0.09 -0.50 -0.22 -1.61 0.00 0.00 178.31 176.07 1wgw h LYS 85 N 0.28 0.00 0.00 1.51 3.11 0.58 -2.86 116.57 119.19 1wgw h LYS 85 Ca 0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1wgw h LYS 85 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1wgw h LYS 85 CO -0.13 0.50 0.00 0.39 -2.81 0.00 0.00 179.45 177.40 1wgw n GLU 86 N -3.32 0.01 -0.65 1.90 -0.58 0.34 -2.27 120.64 116.08 1wgw n GLU 86 Ca 0.01 0.14 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 1wgw n GLU 86 Cb 0.68 -1.52 0.30 0.00 -0.57 0.00 0.00 31.44 30.33 1wgw n GLU 86 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wgw n LEU 87 N -1.55 4.44 -0.04 -4.62 4.77 -0.79 -3.82 117.00 115.39 1wgw n LEU 87 Ca 0.05 -2.25 -0.06 0.00 -0.03 0.00 0.00 56.01 53.72 1wgw n LEU 87 Cb 0.26 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1wgw n LEU 87 CO 0.20 0.55 -0.75 0.55 -1.33 0.00 0.00 177.39 176.61 1wgw n VAL 88 N 0.52 0.44 -0.08 4.08 3.14 -0.96 -4.61 118.33 120.86 1wgw n VAL 88 Ca 0.21 -0.16 -0.11 0.00 -2.96 0.00 0.00 64.34 61.32 1wgw n VAL 88 Cb 0.92 -0.87 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 1wgw n VAL 88 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1wgw h LYS 89 N -0.03 0.40 -0.01 1.45 1.57 -1.69 -3.24 116.57 115.02 1wgw h LYS 89 Ca -0.17 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1wgw h LYS 89 Cb 1.25 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wgw h LYS 89 CO -0.04 0.54 -0.01 0.28 -0.57 0.00 0.00 179.45 179.65 1wgw h VAL 90 N 0.21 0.00 -0.77 0.50 2.07 -1.83 -3.36 116.25 113.06 1wgw h VAL 90 Ca 0.07 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 66.88 1wgw h VAL 90 Cb 0.33 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1wgw h VAL 90 CO 0.01 0.00 1.35 1.17 0.02 0.00 0.00 177.57 180.11 1wgw n LYS 91 N -3.00 0.73 -0.44 1.57 3.00 -1.23 -4.72 118.16 114.07 1wgw n LYS 91 Ca 0.00 0.20 0.36 0.00 -0.00 0.00 0.00 58.31 58.87 1wgw n LYS 91 Cb 0.00 -2.12 0.64 0.00 0.00 0.00 0.00 35.03 33.55 1wgw n LYS 91 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1wgw h VAL 92 N 6.92 0.15 -1.94 3.15 3.04 -1.86 -3.40 116.25 122.31 1wgw h VAL 92 Ca -0.23 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1wgw h VAL 92 Cb 1.35 0.04 -0.22 0.00 -2.01 0.00 0.00 31.29 30.45 1wgw h VAL 92 CO 1.04 0.02 0.17 -0.72 -1.01 0.00 0.00 177.57 177.07 1wgw s TYR 93 N -5.31 -0.76 -0.39 3.17 -0.85 -1.26 -5.11 117.35 106.85 1wgw s TYR 93 Ca -0.08 1.83 -0.05 0.00 -0.52 0.00 0.00 57.07 58.26 1wgw s TYR 93 Cb 0.29 0.30 0.09 0.00 0.38 0.00 0.00 41.96 43.02 1wgw s TYR 93 CO 0.82 -0.37 0.18 -1.54 -1.52 0.00 0.00 175.55 173.13 1wgw s SER 94 N 0.42 5.32 0.00 -0.18 1.04 -1.26 -4.92 113.70 114.12 1wgw s SER 94 Ca -0.00 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.75 1wgw s SER 94 Cb -0.05 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1wgw s SER 94 CO -0.01 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1wgw n GLY 95 N 4.72 0.26 3.59 7.32 0.00 -1.26 -5.02 105.19 114.79 1wgw n GLY 95 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.41 0.61 1.61 0.04 -1.26 -5.00 135.00 134.42 1wgw s PRO 96 Ca 0.00 0.76 0.05 0.00 0.04 0.00 0.00 61.00 61.85 1wgw s PRO 96 Cb 0.00 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.54 1wgw s PRO 96 CO 0.00 -1.78 0.84 0.45 0.04 0.00 0.00 177.00 176.55 1wgw s SER 97 N 4.41 4.91 0.00 6.66 0.15 -1.26 -5.10 113.70 123.47 1wgw s SER 97 Ca 0.59 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wgw s SER 97 Cb -0.13 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1wgw s SER 97 CO 0.29 -1.45 0.00 -0.24 1.20 0.00 0.00 173.24 173.05 1wgw n SER 98 N -2.42 0.00 0.00 5.45 2.88 -1.26 -5.03 113.62 113.24 1wgw n SER 98 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wgw n SER 98 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42