#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw h SER 2 N 0.00 -2.00 -3.58 1.61 4.64 -2.12 -3.47 113.55 108.64 1wgw h SER 2 Ca 0.00 0.30 0.34 0.00 -0.47 0.00 0.00 61.79 61.96 1wgw h SER 2 Cb 0.00 0.87 -0.16 0.00 -0.31 0.00 0.00 62.40 62.80 1wgw h SER 2 CO 0.00 -0.29 -1.06 -0.24 -0.87 0.00 0.00 176.83 174.37 1wgw n SER 3 N -5.31 -7.86 -3.62 4.97 2.88 -1.26 -4.95 113.62 98.47 1wgw n SER 3 Ca 0.01 1.21 -0.16 0.00 -1.33 0.00 0.00 58.87 58.59 1wgw n SER 3 Cb 0.30 -4.62 -0.14 0.00 -0.75 0.00 0.00 64.21 59.00 1wgw n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgw s GLY 4 N -7.13 -0.00 0.00 0.46 0.00 -1.26 -4.95 107.32 94.43 1wgw s GLY 4 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1wgw s GLY 4 CO 0.00 1.88 0.00 -1.26 0.00 0.00 0.00 173.10 173.72 1wgw n SER 5 N 5.33 0.00 -2.10 1.64 2.88 -1.26 -5.08 113.62 115.03 1wgw n SER 5 Ca -0.05 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.46 1wgw n SER 5 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 -4.53 0.00 -3.46 2.88 -1.26 -4.82 113.62 102.43 1wgw n SER 6 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1wgw n SER 6 Cb 0.00 -2.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 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 -0.69 1.06 5.00 0.46 0.00 -1.26 -5.03 105.19 104.73 1wgw n GLY 7 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.92 0.00 -0.24 4.61 0.00 -1.26 -4.35 120.51 118.34 1wgw n ALA 8 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1wgw n ALA 8 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 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 0.03 0.00 0.00 1.82 -1.97 -1.22 116.42 115.07 1wgw h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wgw h ASP 9 Cb 0.00 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1wgw h ASP 9 CO 0.00 0.01 0.00 0.18 -1.61 0.00 0.00 179.24 177.82 1wgw n LEU 10 N -4.25 0.00 -0.11 2.28 4.77 -1.26 -2.00 117.00 116.42 1wgw n LEU 10 Ca 0.22 0.83 0.27 0.00 -0.03 0.00 0.00 56.01 57.29 1wgw n LEU 10 Cb 1.07 -0.33 0.71 0.00 -2.33 0.00 0.00 43.42 42.53 1wgw n LEU 10 CO 0.39 -0.33 1.25 1.23 -1.33 0.00 0.00 177.39 178.60 1wgw h GLY 11 N 0.00 0.00 2.00 -0.72 0.00 -1.77 1.44 103.07 104.02 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 0.00 3.21 0.00 0.00 0.00 176.54 179.75 1wgw h ARG 12 N 0.00 0.00 0.09 4.80 2.47 -0.67 1.31 114.38 122.38 1wgw h ARG 12 Ca 0.38 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.84 1wgw h ARG 12 Cb 1.75 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1wgw h ARG 12 CO -0.00 0.00 -1.16 0.87 0.56 0.00 0.00 179.97 180.24 1wgw h LYS 13 N 0.00 0.22 0.04 0.04 1.57 0.26 -3.28 116.57 115.41 1wgw h LYS 13 Ca 0.00 -0.35 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 1wgw h LYS 13 Cb 0.30 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1wgw h LYS 13 CO 0.00 1.15 -1.60 -0.89 -0.57 0.00 0.00 179.45 177.54 1wgw n ILE 14 N -3.51 1.61 -0.56 1.86 5.41 -0.61 -3.58 119.36 119.98 1wgw n ILE 14 Ca -0.06 -0.25 0.45 0.00 1.00 0.00 0.00 62.75 63.89 1wgw n ILE 14 Cb 0.99 -1.93 0.73 0.00 -0.71 0.00 0.00 39.64 38.71 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 -4.11 -0.14 0.01 1.39 -1.04 0.44 0.18 114.28 111.00 1wgw n THR 15 Ca -0.34 1.64 -0.18 0.00 -2.04 0.00 0.00 64.05 63.13 1wgw n THR 15 Cb 0.81 -2.71 -0.14 0.00 -1.82 0.00 0.00 70.33 66.47 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 0.30 -0.18 8.00 0.87 -1.71 -3.02 113.55 117.81 1wgw h SER 16 Ca 0.89 -0.96 0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1wgw h SER 16 Cb 3.18 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 64.99 1wgw h SER 16 CO -0.27 1.26 -0.38 0.00 -0.53 0.00 0.00 176.83 176.91 1wgw h ALA 17 N 0.04 -0.70 -0.84 6.23 0.00 0.19 0.45 119.26 124.64 1wgw h ALA 17 Ca -0.10 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1wgw h ALA 17 Cb 1.42 0.93 -0.11 0.00 0.00 0.00 0.00 17.79 20.03 1wgw h ALA 17 CO 0.09 -0.85 0.37 -0.07 0.00 0.00 0.00 179.25 178.79 1wgw h LEU 18 N -0.34 0.35 -0.63 0.00 3.38 -1.34 0.25 115.31 116.97 1wgw h LEU 18 Ca 0.03 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1wgw h LEU 18 Cb 0.44 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1wgw h LEU 18 CO -0.35 0.08 0.31 -0.09 0.09 0.00 0.00 178.44 178.48 1wgw h ARG 19 N 0.46 0.54 -1.57 1.13 2.43 -0.66 0.00 114.38 116.72 1wgw h ARG 19 Ca 0.49 -0.03 0.45 0.00 -0.81 0.00 0.00 59.98 60.08 1wgw h ARG 19 Cb 0.83 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1wgw h ARG 19 CO -0.46 0.36 1.27 1.03 -1.51 0.00 0.00 179.97 180.66 1wgw h SER 20 N 0.56 0.00 0.08 -3.80 0.87 0.33 0.26 113.55 111.85 1wgw h SER 20 Ca 0.30 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1wgw h SER 20 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1wgw h SER 20 CO -0.23 0.00 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.96 1wgw h LEU 21 N 0.00 -0.10 -1.91 2.23 3.38 -1.01 -0.52 115.31 117.37 1wgw h LEU 21 Ca 0.74 0.00 0.56 0.00 0.09 0.00 0.00 57.88 59.27 1wgw h LEU 21 Cb 3.27 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 43.97 1wgw h LEU 21 CO -0.01 0.20 1.38 -0.24 0.09 0.00 0.00 178.44 179.85 1wgw n SER 22 N -3.78 0.00 -0.08 -0.43 2.88 0.77 0.16 113.62 113.15 1wgw n SER 22 Ca -0.01 0.97 -0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1wgw n SER 22 Cb 0.04 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 62.91 1wgw n SER 22 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1wgw h ASN 23 N 0.00 0.00 -2.78 -3.46 -0.73 -1.23 -3.47 115.58 103.91 1wgw h ASN 23 Ca 0.91 -0.73 -0.56 0.00 1.87 0.00 0.00 56.30 57.79 1wgw h ASN 23 Cb 3.66 0.00 0.20 0.00 0.27 0.00 0.00 38.32 42.45 1wgw h ASN 23 CO -0.02 1.14 -0.85 0.00 -0.37 0.00 0.00 177.43 177.34 1wgw n ALA 24 N -2.95 -2.73 -0.03 1.57 0.00 0.43 -4.94 120.51 111.86 1wgw n ALA 24 Ca -0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 1wgw n ALA 24 Cb 0.52 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.40 0.36 0.42 0.00 -1.04 -1.26 -4.75 114.28 105.60 1wgw n THR 25 Ca 0.07 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 1wgw n THR 25 Cb 0.51 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 68.20 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 0.11 -5.65 12.58 5.03 -1.95 -3.46 117.51 124.17 1wgw h ILE 26 Ca -0.14 -0.15 -0.10 0.00 -0.12 0.00 0.00 64.86 64.35 1wgw h ILE 26 Cb 1.23 0.13 0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1wgw h ILE 26 CO -0.02 0.01 -0.77 -0.38 -0.68 0.00 0.00 178.15 176.31 1wgw n ILE 27 N -5.51 -8.92 -3.92 -0.67 2.08 -1.26 -4.52 119.36 96.64 1wgw n ILE 27 Ca -0.14 0.78 0.00 0.00 0.56 0.00 0.00 62.75 63.95 1wgw n ILE 27 Cb 0.43 -6.08 0.00 0.00 -0.75 0.00 0.00 39.64 33.25 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 -0.06 0.77 0.02 4.38 0.23 -1.26 -4.13 115.26 115.21 1wgw n ASN 28 Ca 0.05 -0.92 -0.10 0.00 -0.53 0.00 0.00 54.58 53.07 1wgw n ASN 28 Cb 0.47 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.34 -0.43 -3.83 4.81 -1.86 -2.46 114.58 110.47 1wgw h GLU 29 Ca 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1wgw h GLU 29 Cb 0.00 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.37 1wgw h GLU 29 CO 0.00 -0.22 -0.50 1.49 -0.73 0.00 0.00 179.01 179.04 1wgw h GLU 30 N -0.35 -0.34 0.00 1.92 4.57 -1.97 0.28 114.58 118.69 1wgw h GLU 30 Ca 0.09 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1wgw h GLU 30 Cb 0.48 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1wgw h GLU 30 CO -0.28 -0.23 0.00 0.28 -1.18 0.00 0.00 179.01 177.60 1wgw n VAL 31 N -5.39 0.00 -0.20 0.32 0.31 -0.96 0.22 118.33 112.63 1wgw n VAL 31 Ca -0.02 1.46 -0.09 0.00 -0.01 0.00 0.00 64.34 65.68 1wgw n VAL 31 Cb 0.35 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 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 -1.51 -0.56 7.52 3.38 -1.10 1.63 115.31 124.66 1wgw h LEU 32 Ca 0.00 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1wgw h LEU 32 Cb 0.00 0.68 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1wgw h LEU 32 CO 0.00 -0.34 -0.23 -1.13 0.09 0.00 0.00 178.44 176.83 1wgw h ASN 33 N -0.23 -0.82 0.63 -0.43 -1.24 0.16 1.52 115.58 115.17 1wgw h ASN 33 Ca 0.18 0.20 -0.03 0.00 0.71 0.00 0.00 56.30 57.35 1wgw h ASN 33 Cb 0.56 0.45 0.01 0.00 0.73 0.00 0.00 38.32 40.07 1wgw h ASN 33 CO -0.69 -0.25 -0.30 0.00 -1.29 0.00 0.00 177.43 174.89 1wgw h ALA 34 N 1.29 -1.11 -0.71 1.57 0.00 0.59 -2.87 119.26 118.03 1wgw h ALA 34 Ca 0.26 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1wgw h ALA 34 Cb 0.50 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 1wgw h ALA 34 CO -0.63 -1.05 -0.28 1.98 0.00 0.00 0.00 179.25 179.27 1wgw h MET 35 N -0.93 -0.07 -0.91 0.00 1.85 0.28 0.55 114.93 115.69 1wgw h MET 35 Ca -0.09 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 59.13 1wgw h MET 35 Cb 0.65 0.02 -0.14 0.00 0.43 0.00 0.00 31.60 32.56 1wgw h MET 35 CO 0.14 -0.05 -0.45 -0.07 -0.40 0.00 0.00 176.91 176.08 1wgw h LEU 36 N -0.08 -1.64 -0.69 3.39 3.38 0.22 0.90 115.31 120.79 1wgw h LEU 36 Ca 0.30 0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.72 1wgw h LEU 36 Cb 0.56 0.80 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 1wgw h LEU 36 CO -0.76 -0.28 -0.11 0.50 0.09 0.00 0.00 178.44 177.88 1wgw h LYS 37 N -0.05 0.03 -0.24 1.13 3.11 -0.66 1.71 116.57 121.61 1wgw h LYS 37 Ca 0.26 -0.00 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 1wgw h LYS 37 Cb 0.54 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1wgw h LYS 37 CO -0.91 0.02 0.17 0.93 -2.81 0.00 0.00 179.45 176.85 1wgw h GLU 38 N 0.03 0.01 0.00 1.90 4.39 0.10 0.72 114.58 121.73 1wgw h GLU 38 Ca 0.35 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1wgw h GLU 38 Cb 0.56 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1wgw h GLU 38 CO -0.67 0.01 -0.15 0.28 -1.16 0.00 0.00 179.01 177.31 1wgw h VAL 39 N 0.01 0.00 -1.18 3.13 2.07 0.37 -3.24 116.25 117.40 1wgw h VAL 39 Ca 0.11 -1.00 0.41 0.00 0.82 0.00 0.00 66.70 67.04 1wgw h VAL 39 Cb 0.44 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.06 1wgw h VAL 39 CO -0.00 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.31 1wgw h THR 41 N 0.11 0.50 -0.99 0.00 2.02 -0.96 -1.89 112.91 111.70 1wgw h THR 41 Ca 0.81 0.00 0.25 0.00 0.77 0.00 0.00 66.41 68.24 1wgw h THR 41 Cb 2.33 0.50 -0.19 0.00 -1.74 0.00 0.00 68.15 69.06 1wgw h THR 41 CO -0.54 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.29 1wgw h ALA 42 N 0.21 1.00 -0.28 6.16 0.00 0.79 1.85 119.26 128.99 1wgw h ALA 42 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wgw h ALA 42 Cb 0.46 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wgw h ALA 42 CO -0.06 -0.51 0.18 -0.07 0.00 0.00 0.00 179.25 178.80 1wgw h LEU 43 N 0.00 0.33 -0.79 0.00 -0.00 -1.23 0.91 115.31 114.53 1wgw h LEU 43 Ca 0.56 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 58.38 1wgw h LEU 43 Cb 1.07 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.61 1wgw h LEU 43 CO -0.96 0.25 0.35 -0.07 -0.00 0.00 0.00 178.44 178.01 1wgw h LEU 44 N 0.38 1.06 0.00 1.67 3.38 0.28 0.46 115.31 122.53 1wgw h LEU 44 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wgw h LEU 44 Cb -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1wgw h LEU 44 CO -0.02 0.92 0.00 -0.62 0.09 0.00 0.00 178.44 178.81 1wgw n GLU 45 N -4.32 0.63 0.00 1.13 1.02 0.51 -4.16 120.64 115.45 1wgw n GLU 45 Ca 0.07 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1wgw n GLU 45 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1wgw n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n ALA 46 N -1.07 0.10 0.00 0.62 0.00 0.25 -5.02 120.51 115.40 1wgw n ALA 46 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1wgw n ALA 46 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1wgw n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wgw n ASP 47 N -0.60 0.00 -4.13 0.00 2.03 -0.53 -5.08 116.55 108.25 1wgw n ASP 47 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1wgw n ASP 47 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1wgw n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wgw s VAL 48 N 0.00 0.81 0.39 5.18 1.01 -1.15 -5.05 120.40 121.59 1wgw s VAL 48 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 60.38 1wgw s VAL 48 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1wgw s VAL 48 CO 0.00 -0.41 1.27 0.21 0.00 0.00 0.00 175.10 176.17 1wgw s ASN 49 N -1.93 6.46 0.18 3.32 3.84 -1.26 -4.66 114.94 120.90 1wgw s ASN 49 Ca -0.03 2.58 -0.09 0.00 0.21 0.00 0.00 52.86 55.53 1wgw s ASN 49 Cb -0.07 -2.63 0.05 0.00 -0.55 0.00 0.00 41.25 38.05 1wgw s ASN 49 CO 0.01 -0.74 1.59 -0.29 -2.79 0.00 0.00 177.10 174.88 1wgw h ILE 50 N 2.55 1.27 -0.63 -5.21 6.09 -1.98 0.96 117.51 120.55 1wgw h ILE 50 Ca -0.49 -1.32 -0.01 0.00 -1.37 0.00 0.00 64.86 61.67 1wgw h ILE 50 Cb 1.24 1.05 -0.03 0.00 0.47 0.00 0.00 36.82 39.55 1wgw h ILE 50 CO 0.63 0.46 0.35 0.11 -3.07 0.00 0.00 178.15 176.63 1wgw h LYS 51 N 0.87 0.87 -0.07 2.19 1.79 -1.98 0.30 116.57 120.53 1wgw h LYS 51 Ca 0.12 -0.09 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 1wgw h LYS 51 Cb 0.73 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1wgw h LYS 51 CO 0.06 0.65 -0.85 1.37 -1.08 0.00 0.00 179.45 179.60 1wgw h LEU 52 N 0.85 0.87 -1.55 2.94 8.10 -1.89 -2.52 115.31 122.12 1wgw h LEU 52 Ca 0.22 -0.69 0.04 0.00 0.11 0.00 0.00 57.88 57.56 1wgw h LEU 52 Cb 0.02 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 39.95 1wgw h LEU 52 CO -0.04 1.43 0.36 0.58 -4.11 0.00 0.00 178.44 176.66 1wgw h VAL 53 N 0.38 1.04 0.00 0.15 2.07 0.13 0.47 116.25 120.50 1wgw h VAL 53 Ca -0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1wgw h VAL 53 Cb 1.50 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1wgw h VAL 53 CO 0.17 0.11 0.00 0.11 0.02 0.00 0.00 177.57 177.98 1wgw h LYS 54 N 0.59 0.00 0.00 1.57 1.57 -0.33 -2.83 116.57 117.14 1wgw h LYS 54 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1wgw h LYS 54 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1wgw h LYS 54 CO -0.06 0.00 -0.61 0.00 -0.57 0.00 0.00 179.45 178.22 1wgw n GLN 55 N -2.35 0.23 -0.06 3.15 10.64 0.15 -4.03 117.38 125.11 1wgw n GLN 55 Ca 0.05 0.06 -0.05 0.00 -1.83 0.00 0.00 57.00 55.23 1wgw n GLN 55 Cb 0.41 -1.64 -0.05 0.00 -0.86 0.00 0.00 30.24 28.11 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1wgw h LEU 56 N 0.00 0.00 -0.97 2.61 6.46 -0.90 -2.76 115.31 119.75 1wgw h LEU 56 Ca 0.00 -0.35 0.17 0.00 -0.12 0.00 0.00 57.88 57.58 1wgw h LEU 56 Cb 0.69 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.45 1wgw h LEU 56 CO 0.00 0.68 -0.32 -2.11 -0.62 0.00 0.00 178.44 176.07 1wgw n ARG 57 N -4.72 -0.17 0.35 1.25 1.85 -1.21 0.99 116.66 115.01 1wgw n ARG 57 Ca -0.04 1.50 -0.17 0.00 -1.00 0.00 0.00 57.85 58.15 1wgw n ARG 57 Cb 0.17 -2.24 -0.09 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 -0.84 -0.57 2.89 4.11 -1.70 0.87 114.58 119.34 1wgw h GLU 58 Ca 0.39 0.06 0.16 0.00 0.07 0.00 0.00 59.36 60.04 1wgw h GLU 58 Cb 0.63 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1wgw h GLU 58 CO -0.98 -0.54 0.60 -0.91 0.07 0.00 0.00 179.01 177.25 1wgw h ASN 59 N -0.95 0.00 0.00 3.06 2.35 -0.43 0.25 115.58 119.86 1wgw h ASN 59 Ca -0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1wgw h ASN 59 Cb 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1wgw h ASN 59 CO 0.15 0.00 -0.31 0.58 -1.65 0.00 0.00 177.43 176.20 1wgw h VAL 60 N 0.00 0.51 -1.30 2.81 2.07 0.15 -3.33 116.25 117.16 1wgw h VAL 60 Ca 0.27 -1.45 0.42 0.00 0.82 0.00 0.00 66.70 66.76 1wgw h VAL 60 Cb 1.46 1.04 -0.12 0.00 -1.52 0.00 0.00 31.29 32.14 1wgw h VAL 60 CO -0.00 0.17 0.84 0.11 0.02 0.00 0.00 177.57 178.71 1wgw h LYS 61 N -1.00 0.11 -0.39 1.57 1.57 0.24 1.28 116.57 119.95 1wgw h LYS 61 Ca -0.05 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1wgw h LYS 61 Cb 0.53 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1wgw h LYS 61 CO -0.03 0.07 0.11 1.03 -0.57 0.00 0.00 179.45 180.06 1wgw h SER 62 N 0.11 0.09 0.24 0.86 0.87 -1.13 0.35 113.55 114.93 1wgw h SER 62 Ca 0.80 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.41 1wgw h SER 62 Cb 2.49 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 64.51 1wgw h SER 62 CO -0.40 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 175.98 1wgw h ALA 63 N 1.27 1.00 -3.00 6.23 0.00 0.15 -3.41 119.26 121.51 1wgw h ALA 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wgw h ALA 63 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wgw h ALA 63 CO -0.21 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.15 1wgw n ILE 64 N -2.75 0.00 0.00 0.00 2.08 0.12 -5.04 119.36 113.77 1wgw n ILE 64 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1wgw n ILE 64 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 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 0.08 4.38 2.03 -1.22 -5.02 116.55 116.80 1wgw n ASP 65 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1wgw n ASP 65 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wgw h LEU 66 N 0.00 -0.52 -1.53 -2.67 4.07 -1.86 0.12 115.31 112.92 1wgw h LEU 66 Ca 0.00 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1wgw h LEU 66 Cb 0.00 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1wgw h LEU 66 CO 0.00 -0.22 0.51 1.05 -1.08 0.00 0.00 178.44 178.69 1wgw h GLU 67 N -0.33 0.00 -2.21 1.13 4.11 -1.98 -0.50 114.58 114.81 1wgw h GLU 67 Ca -0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.85 1wgw h GLU 67 Cb 0.30 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.13 1wgw h GLU 67 CO -0.05 0.00 -0.79 0.39 0.07 0.00 0.00 179.01 178.63 1wgw n GLU 68 N -2.86 2.61 0.00 1.06 1.02 0.20 -4.99 120.64 117.68 1wgw n GLU 68 Ca -0.00 -4.46 0.00 0.00 -0.02 0.00 0.00 57.16 52.67 1wgw n GLU 68 Cb 0.56 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1wgw n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n MET 69 N -0.06 0.00 0.00 3.49 0.00 0.03 -4.70 117.12 115.88 1wgw n MET 69 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1wgw n MET 69 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.68 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgw n ALA 70 N 0.00 0.00 -2.51 3.17 0.00 -1.26 -4.77 120.51 115.13 1wgw n ALA 70 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1wgw n ALA 70 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1wgw n ALA 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgw s SER 71 N -1.00 0.11 0.00 0.00 0.15 -1.26 -4.33 113.70 107.37 1wgw s SER 71 Ca 0.00 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1wgw s SER 71 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wgw s SER 71 CO 0.00 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1wgw n GLY 72 N -0.24 3.52 0.37 9.45 0.00 -1.26 -4.92 105.19 112.11 1wgw n GLY 72 Ca -0.03 -0.19 0.19 0.00 0.00 0.00 0.00 46.02 45.99 1wgw n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wgw h LEU 73 N 0.00 0.60 -0.28 0.99 4.07 -1.99 0.27 115.31 118.98 1wgw h LEU 73 Ca 0.00 0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.15 1wgw h LEU 73 Cb 0.00 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.70 1wgw h LEU 73 CO 0.00 0.09 -0.18 -1.13 -1.08 0.00 0.00 178.44 176.14 1wgw h ASN 74 N 0.52 -0.59 -0.64 -0.43 -1.24 -1.98 -0.54 115.58 110.68 1wgw h ASN 74 Ca 0.63 0.13 0.09 0.00 0.71 0.00 0.00 56.30 57.86 1wgw h ASN 74 Cb 1.34 0.30 -0.11 0.00 0.73 0.00 0.00 38.32 40.58 1wgw h ASN 74 CO -0.42 -0.22 -0.43 0.11 -1.29 0.00 0.00 177.43 175.18 1wgw h LYS 75 N -0.16 -0.19 -0.55 6.67 1.57 -0.81 1.41 116.57 124.51 1wgw h LYS 75 Ca 0.15 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 1wgw h LYS 75 Cb 0.38 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1wgw h LYS 75 CO -0.37 -0.12 0.38 0.00 -0.57 0.00 0.00 179.45 178.76 1wgw h ARG 76 N -0.19 0.22 0.24 3.15 3.08 -1.18 1.19 114.38 120.89 1wgw h ARG 76 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1wgw h ARG 76 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1wgw h ARG 76 CO -0.73 0.14 -0.12 -0.22 -1.07 0.00 0.00 179.97 177.98 1wgw h LYS 77 N 0.23 -0.31 -0.04 0.04 3.64 0.30 -0.25 116.57 120.18 1wgw h LYS 77 Ca 0.26 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1wgw h LYS 77 Cb 0.72 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1wgw h LYS 77 CO -0.05 -0.21 0.08 0.00 -2.27 0.00 0.00 179.45 177.00 1wgw h MET 78 N -0.69 0.00 0.06 1.90 -0.00 0.10 -0.71 114.93 115.59 1wgw h MET 78 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.48 1wgw h MET 78 Cb 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.86 1wgw h MET 78 CO 0.05 0.00 -0.75 0.82 -0.00 0.00 0.00 176.91 177.03 1wgw h ILE 79 N 0.00 1.44 -0.34 -0.10 2.04 0.14 -0.49 117.51 120.20 1wgw h ILE 79 Ca 0.02 -2.27 0.10 0.00 1.00 0.00 0.00 64.86 63.71 1wgw h ILE 79 Cb 0.18 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1wgw h ILE 79 CO -0.00 0.66 0.27 1.56 0.00 0.00 0.00 178.15 180.64 1wgw h GLN 80 N -0.14 0.00 0.06 2.37 4.20 0.51 -1.42 115.11 120.70 1wgw h GLN 80 Ca -0.11 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.38 1wgw h GLN 80 Cb 1.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1wgw h GLN 80 CO 0.14 0.00 -1.17 1.25 -0.67 0.00 0.00 178.83 178.39 1wgw h HIS 81 N 0.00 0.22 -0.19 2.96 2.76 -1.45 -3.28 115.15 116.18 1wgw h HIS 81 Ca 0.16 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1wgw h HIS 81 Cb 0.70 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 1wgw h HIS 81 CO 0.00 1.46 -0.22 0.00 -1.30 0.00 0.00 177.93 177.86 1wgw h ALA 82 N -0.19 -0.46 -0.45 5.26 0.00 -0.21 1.37 119.26 124.59 1wgw h ALA 82 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1wgw h ALA 82 Cb 1.50 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 20.13 1wgw h ALA 82 CO -0.04 -0.57 -0.37 0.28 0.00 0.00 0.00 179.25 178.55 1wgw h VAL 83 N -0.14 0.00 -0.98 0.00 2.07 -1.49 0.79 116.25 116.50 1wgw h VAL 83 Ca 0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.80 1wgw h VAL 83 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 1wgw h VAL 83 CO -0.25 0.00 0.66 -0.26 0.02 0.00 0.00 177.57 177.74 1wgw h PHE 84 N -0.14 0.48 -0.78 1.57 0.04 -1.42 0.68 116.94 117.36 1wgw h PHE 84 Ca 0.07 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.99 1wgw h PHE 84 Cb 0.33 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 1wgw h PHE 84 CO -0.83 0.08 0.52 -0.22 -0.60 0.00 0.00 178.31 177.25 1wgw h LYS 85 N 0.32 0.57 0.07 1.51 1.63 0.87 0.20 116.57 121.74 1wgw h LYS 85 Ca 0.52 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 60.00 1wgw h LYS 85 Cb 1.47 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 1wgw h LYS 85 CO -0.19 0.38 -1.54 0.93 -3.45 0.00 0.00 179.45 175.57 1wgw h GLU 86 N 0.58 0.16 -0.61 1.90 3.07 0.85 -2.70 114.58 117.84 1wgw h GLU 86 Ca 0.38 -0.27 0.18 0.00 -0.50 0.00 0.00 59.36 59.15 1wgw h GLU 86 Cb 0.65 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1wgw h GLU 86 CO -0.14 1.13 0.53 -0.07 -1.40 0.00 0.00 179.01 179.06 1wgw h LEU 87 N -0.44 0.00 0.00 1.33 3.38 -0.19 0.88 115.31 120.27 1wgw h LEU 87 Ca -0.36 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.42 1wgw h LEU 87 Cb 1.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1wgw h LEU 87 CO -0.03 0.00 -1.63 0.55 0.09 0.00 0.00 178.44 177.42 1wgw n VAL 88 N -3.95 1.13 -2.46 1.22 3.14 0.66 -4.40 118.33 113.66 1wgw n VAL 88 Ca 0.12 -0.70 -0.42 0.00 -2.96 0.00 0.00 64.34 60.38 1wgw n VAL 88 Cb 0.76 -0.65 0.01 0.00 -1.06 0.00 0.00 33.84 32.90 1wgw n VAL 88 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1wgw n LYS 89 N -2.82 4.27 -4.16 1.45 4.76 0.30 -4.92 118.16 117.04 1wgw n LYS 89 Ca -0.13 -3.91 -0.10 0.00 -2.87 0.00 0.00 58.31 51.31 1wgw n LYS 89 Cb 0.87 -2.70 -0.10 0.00 -1.84 0.00 0.00 35.03 31.26 1wgw n LYS 89 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1wgw s VAL 90 N -1.31 0.28 -0.35 -0.18 -7.23 -1.21 -4.83 120.40 105.57 1wgw s VAL 90 Ca 0.40 -1.91 -0.39 0.00 -1.81 0.00 0.00 61.98 58.28 1wgw s VAL 90 Cb 0.11 -1.95 -0.15 0.00 0.56 0.00 0.00 36.38 34.96 1wgw s VAL 90 CO -0.00 -0.58 1.99 0.29 -0.31 0.00 0.00 175.10 176.48 1wgw n LYS 91 N -0.09 0.92 -3.96 4.82 5.02 -1.26 -4.91 118.16 118.71 1wgw n LYS 91 Ca -0.08 0.30 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1wgw n LYS 91 Cb 0.63 -2.14 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1wgw n LYS 91 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wgw s VAL 92 N 5.44 0.12 0.10 -0.18 0.11 -1.26 -5.16 120.40 119.58 1wgw s VAL 92 Ca 1.06 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1wgw s VAL 92 Cb -1.06 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.21 1wgw s VAL 92 CO 0.59 -0.57 0.05 0.00 -3.33 0.00 0.00 175.10 171.85 1wgw n TYR 93 N 1.18 -1.48 0.00 1.54 0.18 -1.26 -4.87 117.16 112.45 1wgw n TYR 93 Ca -0.21 -0.03 0.00 0.00 1.88 0.00 0.00 57.90 59.54 1wgw n TYR 93 Cb 0.57 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1wgw n TYR 93 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1wgw n SER 94 N -2.08 0.00 0.00 9.48 7.64 -1.26 -4.97 113.62 122.42 1wgw n SER 94 Ca 0.01 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1wgw n SER 94 Cb 0.04 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 95 N -0.94 -1.79 0.16 0.23 0.00 -1.26 -4.54 105.19 97.05 1wgw n GLY 95 Ca 0.00 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 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 0.49 -1.83 1.61 0.13 -2.03 -3.46 132.00 126.91 1wgw h PRO 96 Ca 0.00 -0.48 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1wgw h PRO 96 Cb 0.00 0.12 -0.22 0.00 0.13 0.00 0.00 31.00 31.03 1wgw h PRO 96 CO 0.00 1.12 0.07 -1.54 -0.23 0.00 0.00 178.00 177.42 1wgw s SER 97 N -6.80 -0.88 -0.40 1.44 1.04 -1.26 -5.13 113.70 101.71 1wgw s SER 97 Ca -0.13 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.42 1wgw s SER 97 Cb 0.05 1.60 0.01 0.00 0.10 0.00 0.00 66.02 67.78 1wgw s SER 97 CO 0.84 -0.20 0.73 -0.55 0.98 0.00 0.00 173.24 175.04 1wgw s SER 98 N 1.96 6.45 0.00 7.02 0.15 -1.26 -5.18 113.70 122.84 1wgw s SER 98 Ca -0.08 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wgw s SER 98 Cb -0.07 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wgw s SER 98 CO -0.19 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.10