#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 -0.38 -0.26 1.61 0.01 -1.26 -5.16 113.70 108.26 1wgw s SER 2 Ca 0.00 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1wgw s SER 2 Cb 0.00 0.59 0.14 0.00 0.21 0.00 0.00 66.02 66.96 1wgw s SER 2 CO 0.00 -1.03 0.52 -0.55 0.41 0.00 0.00 173.24 172.59 1wgw s SER 3 N -2.79 -0.69 0.00 2.44 0.15 -1.26 -5.12 113.70 106.42 1wgw s SER 3 Ca 0.07 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wgw s SER 3 Cb -0.03 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1wgw s SER 3 CO -0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wgw n GLY 4 N 5.41 3.22 2.69 9.45 0.00 -1.26 -5.12 105.19 119.58 1wgw n GLY 4 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -1.77 0.07 1.61 2.88 -1.26 -5.02 113.62 110.13 1wgw n SER 5 Ca 0.00 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1wgw n SER 5 Cb 0.00 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1wgw n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgw n SER 6 N 1.76 -1.27 0.00 -3.46 2.88 -1.26 -5.03 113.62 107.24 1wgw n SER 6 Ca 0.05 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1wgw n SER 6 Cb 0.67 1.52 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 7 N -1.17 1.48 0.09 0.46 0.00 -1.26 -4.89 105.19 99.91 1wgw n GLY 7 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -0.11 -0.46 4.61 0.00 -1.99 -1.85 119.26 119.46 1wgw h ALA 8 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1wgw h ALA 8 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wgw h ALA 8 CO 0.00 -0.35 -0.21 -0.44 0.00 0.00 0.00 179.25 178.25 1wgw h ASP 9 N -0.52 0.94 0.00 0.00 5.19 -1.99 -2.67 116.42 117.39 1wgw h ASP 9 Ca -0.01 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1wgw h ASP 9 Cb 0.44 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1wgw h ASP 9 CO 0.02 1.11 0.00 0.18 -3.12 0.00 0.00 179.24 177.43 1wgw n LEU 10 N -4.11 0.00 -0.08 1.55 4.77 -1.20 -1.24 117.00 116.69 1wgw n LEU 10 Ca 0.00 0.78 0.25 0.00 -0.03 0.00 0.00 56.01 57.01 1wgw n LEU 10 Cb 0.44 -0.28 0.56 0.00 -2.33 0.00 0.00 43.42 41.81 1wgw n LEU 10 CO 0.46 -0.28 1.22 1.23 -1.33 0.00 0.00 177.39 178.69 1wgw h GLY 11 N 0.00 0.00 0.71 -0.72 0.00 -1.42 0.53 103.07 102.17 1wgw h GLY 11 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wgw h GLY 11 CO 0.00 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.41 1wgw h ARG 12 N 0.00 -0.11 -0.02 4.80 1.12 -0.80 1.23 114.38 120.59 1wgw h ARG 12 Ca 0.36 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.28 1wgw h ARG 12 Cb 2.19 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 32.12 1wgw h ARG 12 CO -0.00 0.18 -0.34 0.87 -3.11 0.00 0.00 179.97 177.56 1wgw h LYS 13 N -0.41 -0.47 -0.01 0.20 1.57 0.14 -0.58 116.57 117.01 1wgw h LYS 13 Ca -0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1wgw h LYS 13 Cb 0.35 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1wgw h LYS 13 CO 0.02 -0.31 0.01 0.82 -0.57 0.00 0.00 179.45 179.41 1wgw h ILE 14 N -0.48 1.14 -0.93 1.86 2.04 -1.50 -2.47 117.51 117.17 1wgw h ILE 14 Ca 0.06 -0.42 0.13 0.00 1.00 0.00 0.00 64.86 65.64 1wgw h ILE 14 Cb 0.58 1.40 -0.14 0.00 -0.74 0.00 0.00 36.82 37.92 1wgw h ILE 14 CO -0.29 0.11 -0.39 0.41 0.00 0.00 0.00 178.15 177.99 1wgw n THR 15 N -4.99 -0.51 -0.35 -0.27 -1.04 0.42 0.19 114.28 107.73 1wgw n THR 15 Ca -0.07 2.18 -0.03 0.00 -2.04 0.00 0.00 64.05 64.09 1wgw n THR 15 Cb 0.11 -2.85 0.09 0.00 -1.82 0.00 0.00 70.33 65.86 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 1.10 0.28 8.00 0.87 -1.00 0.15 113.55 122.95 1wgw h SER 16 Ca 0.30 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1wgw h SER 16 Cb 0.53 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1wgw h SER 16 CO -0.91 0.83 -0.32 0.00 -0.53 0.00 0.00 176.83 175.89 1wgw h ALA 17 N 1.32 -0.98 -0.35 6.23 0.00 0.25 0.89 119.26 126.62 1wgw h ALA 17 Ca 0.34 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1wgw h ALA 17 Cb -0.09 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1wgw h ALA 17 CO -0.07 -1.01 -0.18 -0.07 0.00 0.00 0.00 179.25 177.92 1wgw h LEU 18 N -0.61 -0.62 -2.09 0.00 3.38 -0.56 0.50 115.31 115.32 1wgw h LEU 18 Ca -0.03 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1wgw h LEU 18 Cb 0.54 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wgw h LEU 18 CO -0.06 -0.22 0.24 0.03 0.09 0.00 0.00 178.44 178.52 1wgw h ARG 19 N -0.13 0.00 -0.00 1.13 2.47 -0.62 0.30 114.38 117.52 1wgw h ARG 19 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1wgw h ARG 19 Cb 0.40 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1wgw h ARG 19 CO -0.43 0.00 0.00 1.03 0.56 0.00 0.00 179.97 181.13 1wgw h SER 20 N 0.00 0.00 0.00 7.04 0.87 0.59 -0.56 113.55 121.49 1wgw h SER 20 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1wgw h SER 20 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1wgw h SER 20 CO -0.00 0.00 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.01 1wgw h LEU 21 N 0.00 0.00 -1.98 2.23 3.38 -0.29 -2.45 115.31 116.20 1wgw h LEU 21 Ca 0.00 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.42 1wgw h LEU 21 Cb 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1wgw h LEU 21 CO -0.00 0.55 1.10 -1.28 0.09 0.00 0.00 178.44 178.90 1wgw h SER 22 N -0.88 0.01 0.20 -0.43 0.87 -1.33 1.38 113.55 113.37 1wgw h SER 22 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1wgw h SER 22 Cb 0.21 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1wgw h SER 22 CO 0.00 -0.00 -1.25 0.78 -0.53 0.00 0.00 176.83 175.83 1wgw h ASN 23 N 0.01 0.66 -2.75 6.23 2.35 -1.22 -3.46 115.58 117.40 1wgw h ASN 23 Ca 0.74 -0.93 -0.40 0.00 -0.55 0.00 0.00 56.30 55.16 1wgw h ASN 23 Cb 2.92 -0.21 0.21 0.00 0.05 0.00 0.00 38.32 41.29 1wgw h ASN 23 CO -0.02 1.60 -0.34 0.00 -1.65 0.00 0.00 177.43 177.02 1wgw n ALA 24 N -2.73 -3.64 0.00 -0.83 0.00 0.47 -4.99 120.51 108.78 1wgw n ALA 24 Ca -0.17 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.84 1wgw n ALA 24 Cb 0.98 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -5.07 0.00 0.24 0.00 -1.04 -1.26 -4.88 114.28 102.27 1wgw n THR 25 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1wgw n THR 25 Cb 0.55 -0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.94 -3.49 117.51 124.68 1wgw h ILE 26 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1wgw h ILE 26 Cb 0.56 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.32 1wgw h ILE 26 CO 0.00 0.00 -1.12 -0.38 -0.68 0.00 0.00 178.15 175.97 1wgw n ILE 27 N -3.87-11.94 -3.34 -0.67 2.08 -1.26 -4.85 119.36 95.50 1wgw n ILE 27 Ca -0.08 2.04 0.00 0.00 0.56 0.00 0.00 62.75 65.27 1wgw n ILE 27 Cb 0.26 -6.73 0.00 0.00 -0.75 0.00 0.00 39.64 32.42 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 0.94 0.00 0.30 4.38 0.23 -1.26 -4.76 115.26 115.08 1wgw n ASN 28 Ca -0.11 -0.51 -0.18 0.00 -0.53 0.00 0.00 54.58 53.24 1wgw n ASN 28 Cb 0.17 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.99 -0.98 -3.83 4.81 -1.97 -2.79 114.58 108.83 1wgw h GLU 29 Ca 0.00 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1wgw h GLU 29 Cb 0.00 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 29.48 1wgw h GLU 29 CO 0.00 -0.66 -0.56 -1.91 -0.73 0.00 0.00 179.01 175.15 1wgw n GLU 30 N -5.55 -0.42 0.00 1.92 4.07 -1.26 -0.36 120.64 119.04 1wgw n GLU 30 Ca -0.12 1.48 0.00 0.00 -0.06 0.00 0.00 57.16 58.46 1wgw n GLU 30 Cb 0.47 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.66 1wgw n GLU 30 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1wgw n VAL 31 N -5.24 0.00 -0.11 6.31 0.31 -1.09 0.21 118.33 118.72 1wgw n VAL 31 Ca 0.03 1.41 -0.07 0.00 -0.01 0.00 0.00 64.34 65.69 1wgw n VAL 31 Cb 0.27 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.24 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 -1.09 -0.90 7.52 6.46 -0.96 1.33 115.31 127.68 1wgw h LEU 32 Ca 0.00 0.15 0.14 0.00 -0.12 0.00 0.00 57.88 58.05 1wgw h LEU 32 Cb 0.00 0.45 -0.15 0.00 -0.73 0.00 0.00 40.66 40.23 1wgw h LEU 32 CO 0.00 -0.21 -0.37 -1.13 -0.62 0.00 0.00 178.44 176.11 1wgw h ASN 33 N -0.18 -1.35 0.40 1.25 -1.24 0.45 0.80 115.58 115.71 1wgw h ASN 33 Ca 0.05 0.29 -0.01 0.00 0.71 0.00 0.00 56.30 57.34 1wgw h ASN 33 Cb 0.31 0.71 -0.02 0.00 0.73 0.00 0.00 38.32 40.06 1wgw h ASN 33 CO -0.38 -0.29 -0.33 0.00 -1.29 0.00 0.00 177.43 175.14 1wgw h ALA 34 N 1.31 -0.74 -0.68 1.57 0.00 0.47 -2.46 119.26 118.73 1wgw h ALA 34 Ca 0.32 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1wgw h ALA 34 Cb 0.59 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1wgw h ALA 34 CO -0.92 -0.95 -0.05 1.98 0.00 0.00 0.00 179.25 179.31 1wgw h MET 35 N -0.73 0.07 -0.78 0.00 1.85 0.50 1.01 114.93 116.85 1wgw h MET 35 Ca -0.03 -0.00 0.22 0.00 -0.61 0.00 0.00 59.70 59.27 1wgw h MET 35 Cb 0.64 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 1wgw h MET 35 CO -0.02 0.05 0.56 -0.07 -0.40 0.00 0.00 176.91 177.03 1wgw h LEU 36 N 0.07 0.03 -0.91 3.39 3.38 0.86 1.58 115.31 123.70 1wgw h LEU 36 Ca 0.35 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 1wgw h LEU 36 Cb 0.58 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wgw h LEU 36 CO -0.63 0.01 -0.47 0.50 0.09 0.00 0.00 178.44 177.94 1wgw h LYS 37 N 0.03 0.00 0.00 1.13 3.64 0.15 0.95 116.57 122.47 1wgw h LYS 37 Ca 0.37 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1wgw h LYS 37 Cb 1.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1wgw h LYS 37 CO -0.01 0.47 -1.20 0.39 -2.27 0.00 0.00 179.45 176.83 1wgw n GLU 38 N -3.69 0.61 -0.07 1.90 -0.58 0.47 -3.68 120.64 115.60 1wgw n GLU 38 Ca -0.01 0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1wgw n GLU 38 Cb 0.54 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1wgw n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wgw n VAL 39 N -2.70 1.43 -0.36 2.62 0.31 0.24 -3.66 118.33 116.22 1wgw n VAL 39 Ca -0.03 0.19 0.31 0.00 -0.01 0.00 0.00 64.34 64.80 1wgw n VAL 39 Cb 0.63 -2.36 0.57 0.00 -0.91 0.00 0.00 33.84 31.77 1wgw n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgw h THR 41 N 0.13 0.42 -0.86 0.00 2.02 -1.72 -0.57 112.91 112.33 1wgw h THR 41 Ca 0.81 0.00 0.18 0.00 0.77 0.00 0.00 66.41 68.16 1wgw h THR 41 Cb 2.17 0.42 -0.16 0.00 -1.74 0.00 0.00 68.15 68.84 1wgw h THR 41 CO -0.61 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.08 1wgw h ALA 42 N -0.20 0.60 -0.97 6.16 0.00 0.43 1.94 119.26 127.22 1wgw h ALA 42 Ca -0.05 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wgw h ALA 42 Cb 0.57 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1wgw h ALA 42 CO 0.05 -0.40 0.60 -0.07 0.00 0.00 0.00 179.25 179.43 1wgw h LEU 43 N 0.00 1.14 -1.12 0.00 -0.00 -1.04 -0.10 115.31 114.20 1wgw h LEU 43 Ca 0.42 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.88 58.17 1wgw h LEU 43 Cb 0.65 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1wgw h LEU 43 CO -0.88 0.86 -0.37 -0.07 -0.00 0.00 0.00 178.44 177.98 1wgw h LEU 44 N 1.33 0.00 -0.47 1.67 3.38 0.36 -1.67 115.31 119.91 1wgw h LEU 44 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wgw h LEU 44 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wgw h LEU 44 CO -0.07 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.21 1wgw n GLU 45 N -3.71 1.31 0.00 1.13 1.02 0.54 -4.37 120.64 116.56 1wgw n GLU 45 Ca -0.01 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1wgw n GLU 45 Cb 0.46 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.30 0.00 0.00 0.62 0.00 -0.63 -5.01 120.51 115.19 1wgw n ALA 46 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wgw n ALA 46 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.51 0.00 -3.27 0.00 2.03 -1.19 -5.12 116.55 108.49 1wgw n ASP 47 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1wgw n ASP 47 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wgw n VAL 48 N 0.00 0.00 -3.89 5.18 0.24 -1.23 -5.09 118.33 113.54 1wgw n VAL 48 Ca 0.00 -0.81 -0.36 0.00 -2.04 0.00 0.00 64.34 61.13 1wgw n VAL 48 Cb 0.00 -0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 31.33 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 -2.79 6.24 0.27 -1.34 2.47 -1.26 -4.96 114.94 113.57 1wgw s ASN 49 Ca 0.30 0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.96 1wgw s ASN 49 Cb -0.02 -2.03 0.59 0.00 -1.45 0.00 0.00 41.25 38.35 1wgw s ASN 49 CO 0.19 0.35 1.73 -0.29 -3.72 0.00 0.00 177.10 175.36 1wgw h ILE 50 N 4.18 0.60 -0.37 -5.21 6.09 -1.98 0.32 117.51 121.14 1wgw h ILE 50 Ca -0.51 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 1wgw h ILE 50 Cb 1.21 0.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 1wgw h ILE 50 CO 0.62 0.09 0.14 0.11 -3.07 0.00 0.00 178.15 176.04 1wgw h LYS 51 N 0.48 0.56 -0.73 2.19 6.56 -1.98 -0.37 116.57 123.28 1wgw h LYS 51 Ca 0.49 -0.11 0.06 0.00 -1.06 0.00 0.00 60.65 60.04 1wgw h LYS 51 Cb 0.81 -0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 32.33 1wgw h LYS 51 CO -0.44 0.55 0.42 -0.07 -2.06 0.00 0.00 179.45 177.85 1wgw h LEU 52 N 0.46 0.64 -1.67 2.94 -0.00 -0.99 0.44 115.31 117.13 1wgw h LEU 52 Ca 0.12 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1wgw h LEU 52 Cb 0.20 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1wgw h LEU 52 CO -0.01 0.41 -0.05 0.58 -0.00 0.00 0.00 178.44 179.36 1wgw h VAL 53 N 0.77 0.17 0.16 1.22 2.07 -0.10 0.11 116.25 120.66 1wgw h VAL 53 Ca 0.33 -0.55 -0.28 0.00 0.82 0.00 0.00 66.70 67.02 1wgw h VAL 53 Cb 0.20 1.46 0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1wgw h VAL 53 CO -0.19 0.05 -1.19 0.50 0.02 0.00 0.00 177.57 176.77 1wgw h LYS 54 N 0.00 0.52 0.00 1.57 3.11 0.14 -3.02 116.57 118.89 1wgw h LYS 54 Ca -0.00 -0.78 0.00 0.00 -2.81 0.00 0.00 60.65 57.06 1wgw h LYS 54 Cb 0.46 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1wgw h LYS 54 CO 0.01 1.36 0.00 1.04 -2.81 0.00 0.00 179.45 179.04 1wgw n GLN 55 N -3.87 0.26 0.05 1.90 1.13 0.70 -3.53 117.38 114.02 1wgw n GLN 55 Ca -0.15 0.24 -0.02 0.00 -1.94 0.00 0.00 57.00 55.13 1wgw n GLN 55 Cb 0.97 -1.82 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 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 -0.99 1.08 5.85 -0.79 -2.31 115.31 118.01 1wgw h LEU 56 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1wgw h LEU 56 Cb 0.70 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.63 1wgw h LEU 56 CO 0.00 0.02 -0.55 -2.11 -0.34 0.00 0.00 178.44 175.46 1wgw n ARG 57 N -3.05 -0.40 -0.12 1.25 1.85 -1.14 0.64 116.66 115.69 1wgw n ARG 57 Ca -0.02 1.51 -0.06 0.00 -1.00 0.00 0.00 57.85 58.28 1wgw n ARG 57 Cb 0.06 -2.22 0.01 0.00 -1.05 0.00 0.00 32.46 29.26 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 -0.13 -0.99 2.89 -0.00 -1.69 1.19 114.58 115.84 1wgw h GLU 58 Ca 0.19 0.01 0.11 0.00 -0.00 0.00 0.00 59.36 59.66 1wgw h GLU 58 Cb 0.44 0.03 -0.08 0.00 -0.00 0.00 0.00 28.75 29.14 1wgw h GLU 58 CO -0.94 -0.09 0.63 -0.91 -0.00 0.00 0.00 179.01 177.70 1wgw h ASN 59 N -0.14 0.94 -0.27 3.06 2.35 0.28 0.73 115.58 122.52 1wgw h ASN 59 Ca 0.19 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1wgw h ASN 59 Cb 0.44 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1wgw h ASN 59 CO -0.49 0.53 -0.17 0.58 -1.65 0.00 0.00 177.43 176.23 1wgw h VAL 60 N 1.02 1.30 0.00 2.81 2.07 0.35 -1.10 116.25 122.71 1wgw h VAL 60 Ca 0.47 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1wgw h VAL 60 Cb 0.41 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1wgw h VAL 60 CO -0.23 0.41 -0.16 0.11 0.02 0.00 0.00 177.57 177.71 1wgw h LYS 61 N 0.33 0.00 0.00 1.57 1.57 0.28 -0.16 116.57 120.16 1wgw h LYS 61 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1wgw h LYS 61 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1wgw h LYS 61 CO 0.05 0.16 -0.14 1.03 -0.57 0.00 0.00 179.45 179.99 1wgw h SER 62 N 0.00 0.00 1.23 0.86 0.87 0.79 -3.05 113.55 114.26 1wgw h SER 62 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wgw h SER 62 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1wgw h SER 62 CO 0.02 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.33 1wgw h ALA 63 N 2.21 1.00 -3.00 6.23 0.00 0.28 -3.44 119.26 122.54 1wgw h ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wgw h ALA 63 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wgw h ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.36 1wgw n ILE 64 N -2.55 0.00 0.00 0.00 2.08 -1.15 -4.99 119.36 112.74 1wgw n ILE 64 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1wgw n ILE 64 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.00 -0.05 4.38 -0.08 -1.26 -5.01 116.55 114.52 1wgw n ASP 65 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1wgw n ASP 65 Cb 0.00 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.73 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wgw h LEU 66 N 0.00 0.60 -1.17 -2.67 3.38 -1.98 -0.57 115.31 112.90 1wgw h LEU 66 Ca 0.00 -0.09 0.21 0.00 0.09 0.00 0.00 57.88 58.09 1wgw h LEU 66 Cb 0.00 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 1wgw h LEU 66 CO 0.00 0.61 0.62 1.05 0.09 0.00 0.00 178.44 180.81 1wgw h GLU 67 N 0.63 0.59 -1.96 1.13 4.11 -1.97 -3.07 114.58 114.04 1wgw h GLU 67 Ca 0.14 -0.04 -0.51 0.00 0.07 0.00 0.00 59.36 59.02 1wgw h GLU 67 Cb 0.25 -0.13 -0.39 0.00 0.50 0.00 0.00 28.75 28.98 1wgw h GLU 67 CO -0.00 0.39 -1.14 -0.85 0.07 0.00 0.00 179.01 177.48 1wgw n GLU 68 N -4.71 0.85 0.00 1.06 -0.00 -0.78 -4.87 120.64 112.19 1wgw n GLU 68 Ca 0.23 -3.27 0.10 0.00 -0.00 0.00 0.00 57.16 54.22 1wgw n GLU 68 Cb 0.68 -1.46 -0.04 0.00 -0.00 0.00 0.00 31.44 30.61 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1wgw n MET 69 N 0.83 1.14 0.00 3.44 2.81 -0.29 -4.94 117.12 120.11 1wgw n MET 69 Ca 0.23 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 1wgw n MET 69 Cb 0.60 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 -0.57 0.00 0.15 3.04 0.00 -1.26 -2.86 120.51 119.00 1wgw n ALA 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wgw n ALA 70 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wgw n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgw n SER 71 N 1.60 -0.85 0.00 0.00 7.64 -1.26 -5.05 113.62 115.71 1wgw n SER 71 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wgw n SER 71 Cb 0.00 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 72 N 0.95 0.41 5.09 0.23 0.00 -1.13 -4.78 105.19 105.96 1wgw n GLY 72 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1wgw n GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wgw n LEU 73 N 0.00 0.00 0.00 0.99 0.00 -1.26 -3.12 117.00 113.61 1wgw n LEU 73 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.07 1wgw n LEU 73 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 43.42 43.69 1wgw n LEU 73 CO 0.00 0.00 0.68 0.59 0.00 0.00 0.00 177.39 178.66 1wgw n ASN 74 N 1.28 0.00 -0.70 1.96 4.13 -1.26 -3.15 115.26 117.51 1wgw n ASN 74 Ca 0.00 0.38 0.53 0.00 1.68 0.00 0.00 54.58 57.17 1wgw n ASN 74 Cb 0.00 -0.43 0.82 0.00 -1.54 0.00 0.00 39.78 38.62 1wgw n ASN 74 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wgw n LYS 75 N -1.43 -0.00 -0.11 3.52 2.85 -1.18 0.19 118.16 121.98 1wgw n LYS 75 Ca 0.04 1.08 0.27 0.00 -1.05 0.00 0.00 58.31 58.65 1wgw n LYS 75 Cb 0.13 -2.49 0.62 0.00 -0.65 0.00 0.00 35.03 32.64 1wgw n LYS 75 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 1wgw h ARG 76 N 0.00 0.00 0.20 -1.58 0.11 -1.89 0.50 114.38 111.72 1wgw h ARG 76 Ca 0.94 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 61.01 1wgw h ARG 76 Cb 3.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.83 1wgw h ARG 76 CO -0.02 0.00 -0.10 0.87 0.10 0.00 0.00 179.97 180.82 1wgw h LYS 77 N 0.00 -0.26 -0.01 0.08 1.57 0.17 -1.01 116.57 117.10 1wgw h LYS 77 Ca 0.39 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1wgw h LYS 77 Cb 2.10 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.47 1wgw h LYS 77 CO -0.00 -0.18 0.07 0.00 -0.57 0.00 0.00 179.45 178.77 1wgw h MET 78 N -0.51 0.00 -0.00 3.15 -0.00 -1.19 -0.50 114.93 115.88 1wgw h MET 78 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.50 1wgw h MET 78 Cb 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.82 1wgw h MET 78 CO 0.05 0.00 -0.69 0.82 -0.00 0.00 0.00 176.91 177.09 1wgw h ILE 79 N 0.00 1.40 -0.43 -0.10 2.04 -0.10 -1.43 117.51 118.89 1wgw h ILE 79 Ca 0.01 -2.11 0.13 0.00 1.00 0.00 0.00 64.86 63.88 1wgw h ILE 79 Cb 0.14 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1wgw h ILE 79 CO -0.00 0.62 0.55 -0.61 0.00 0.00 0.00 178.15 178.72 1wgw h GLN 80 N -0.01 0.00 0.02 2.37 4.15 0.32 -0.12 115.11 121.85 1wgw h GLN 80 Ca -0.09 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.02 1wgw h GLN 80 Cb 1.39 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.04 1wgw h GLN 80 CO 0.14 0.00 -1.75 1.58 -1.93 0.00 0.00 178.83 176.87 1wgw n HIS 81 N -3.50 0.75 -0.44 3.99 -0.00 -1.17 -3.78 115.22 111.07 1wgw n HIS 81 Ca 0.08 0.29 0.37 0.00 0.46 0.00 0.00 57.72 58.92 1wgw n HIS 81 Cb 0.73 -1.08 0.65 0.00 -0.12 0.00 0.00 29.99 30.16 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 -0.51 2.67 -0.05 1.57 0.00 0.08 1.11 119.26 124.13 1wgw h ALA 82 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wgw h ALA 82 Cb 1.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wgw h ALA 82 CO -0.22 -1.34 0.00 0.28 0.00 0.00 0.00 179.25 177.97 1wgw n VAL 83 N -4.78 0.00 -0.36 0.00 0.31 -0.66 -3.22 118.33 109.62 1wgw n VAL 83 Ca 0.38 1.05 0.27 0.00 -0.01 0.00 0.00 64.34 66.02 1wgw n VAL 83 Cb 1.44 -2.04 0.54 0.00 -0.91 0.00 0.00 33.84 32.87 1wgw n VAL 83 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1wgw h PHE 84 N 0.00 0.65 -0.65 3.52 -1.00 -1.13 1.35 116.94 119.68 1wgw h PHE 84 Ca 0.00 0.02 0.19 0.00 2.81 0.00 0.00 57.97 60.99 1wgw h PHE 84 Cb 0.00 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 1wgw h PHE 84 CO 0.13 -0.04 0.48 -0.22 -1.61 0.00 0.00 178.31 177.05 1wgw h LYS 85 N 0.31 0.00 0.00 1.51 3.11 0.12 0.82 116.57 122.43 1wgw h LYS 85 Ca 0.67 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 58.32 1wgw h LYS 85 Cb 1.81 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 33.01 1wgw h LYS 85 CO -0.36 0.00 -1.48 0.39 -2.81 0.00 0.00 179.45 175.19 1wgw n GLU 86 N -4.28 0.62 -0.04 1.90 1.02 0.46 -3.55 120.64 116.77 1wgw n GLU 86 Ca 0.13 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.35 1wgw n GLU 86 Cb 0.73 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1wgw n GLU 86 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wgw h LEU 87 N 0.00 0.58 -2.00 -4.62 3.38 0.70 -2.01 115.31 111.34 1wgw h LEU 87 Ca -0.19 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 1wgw h LEU 87 Cb 1.66 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1wgw h LEU 87 CO 0.05 1.09 -0.06 1.62 0.09 0.00 0.00 178.44 181.24 1wgw h VAL 88 N 0.09 0.88 0.00 1.22 3.04 0.28 -0.62 116.25 121.15 1wgw h VAL 88 Ca -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1wgw h VAL 88 Cb 1.06 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1wgw h VAL 88 CO 0.09 0.06 0.00 0.29 -1.01 0.00 0.00 177.57 177.00 1wgw n LYS 89 N -4.23 0.00 -0.34 4.17 5.02 -1.12 -2.94 118.16 118.71 1wgw n LYS 89 Ca -0.03 0.33 -0.09 0.00 -2.02 0.00 0.00 58.31 56.50 1wgw n LYS 89 Cb 0.14 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 1wgw n LYS 89 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wgw h VAL 90 N 0.00 0.00 -3.22 -0.18 -1.51 -1.35 -3.37 116.25 106.63 1wgw h VAL 90 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.98 1wgw h VAL 90 Cb 0.00 0.00 -0.37 0.00 -2.13 0.00 0.00 31.29 28.79 1wgw h VAL 90 CO 0.00 0.00 -0.79 -0.54 -1.23 0.00 0.00 177.57 175.01 1wgw s LYS 91 N -5.10 1.11 0.19 5.19 3.01 -0.24 -5.11 119.74 118.79 1wgw s LYS 91 Ca -0.10 -0.09 -0.18 0.00 -1.01 0.00 0.00 55.97 54.58 1wgw s LYS 91 Cb 0.09 -1.30 -0.08 0.00 -1.01 0.00 0.00 37.83 35.53 1wgw s LYS 91 CO 0.52 -0.28 0.67 0.54 0.51 0.00 0.00 175.35 177.31 1wgw s VAL 92 N 1.80 4.65 0.33 3.17 0.11 -1.15 -3.76 120.40 125.55 1wgw s VAL 92 Ca 0.05 1.16 0.08 0.00 -2.93 0.00 0.00 61.98 60.34 1wgw s VAL 92 Cb -0.12 -3.83 0.32 0.00 -1.53 0.00 0.00 36.38 31.21 1wgw s VAL 92 CO -0.07 0.25 1.81 0.10 -3.33 0.00 0.00 175.10 173.86 1wgw h TYR 93 N 3.55 0.95 0.00 1.54 -0.00 -1.90 -3.45 116.97 117.66 1wgw h TYR 93 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1wgw h TYR 93 Cb 1.19 -0.29 0.00 0.00 0.00 0.00 0.00 36.73 37.64 1wgw h TYR 93 CO 0.64 0.25 0.00 0.45 -0.00 0.00 0.00 178.16 179.51 1wgw n SER 94 N -4.67 -0.27 -4.07 0.10 2.88 -1.26 -4.94 113.62 101.39 1wgw n SER 94 Ca 0.21 0.20 -0.37 0.00 -1.33 0.00 0.00 58.87 57.58 1wgw n SER 94 Cb 0.56 0.45 0.03 0.00 -0.75 0.00 0.00 64.21 64.51 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 -1.36 -4.16 3.10 0.46 0.00 -1.26 -4.67 105.19 97.30 1wgw n GLY 95 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1wgw n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgw n PRO 96 N 2.15 2.21 0.00 1.61 -0.04 -1.26 -4.62 135.00 135.05 1wgw n PRO 96 Ca 0.01 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1wgw n PRO 96 Cb 0.53 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1wgw n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgw n SER 97 N 8.08 0.00 -4.22 3.54 2.88 -1.26 -4.88 113.62 117.76 1wgw n SER 97 Ca 0.50 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.66 1wgw n SER 97 Cb 0.42 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1wgw n SER 97 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgw n SER 98 N 1.89 -3.91 0.00 -3.46 2.88 -1.26 -5.03 113.62 104.73 1wgw n SER 98 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1wgw n SER 98 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42