#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gw3 n PRO 2 N 0.00 -0.76 -2.15 4.33 -0.02 -1.26 -5.06 135.00 130.08 1gw3 n PRO 2 Ca 0.00 -0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.22 1gw3 n PRO 2 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1gw3 n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gw3 n LEU 3 N 0.13 0.00 0.00 2.45 4.77 -1.26 -5.12 117.00 117.98 1gw3 n LEU 3 Ca 0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1gw3 n LEU 3 Cb 0.62 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1gw3 n LEU 3 CO 0.50 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1gw3 n GLY 4 N 3.72 0.11 2.66 -0.72 0.00 -1.26 -5.10 105.19 104.60 1gw3 n GLY 4 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1gw3 n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gw3 n GLU 5 N -0.88 0.07 0.00 1.61 0.28 -1.26 -5.01 120.64 115.45 1gw3 n GLU 5 Ca 0.00 -0.61 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 1gw3 n GLU 5 Cb 0.00 -0.09 0.00 0.00 1.43 0.00 0.00 31.44 32.78 1gw3 n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1gw3 n GLU 6 N 1.60 0.00 -0.28 3.44 2.13 -1.26 -4.67 120.64 121.61 1gw3 n GLU 6 Ca 0.02 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.77 1gw3 n GLU 6 Cb 0.71 -0.08 0.06 0.00 0.27 0.00 0.00 31.44 32.40 1gw3 n GLU 6 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1gw3 h MET 7 N 0.00 1.18 0.00 5.31 4.05 -2.03 -3.33 114.93 120.11 1gw3 h MET 7 Ca 0.00 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1gw3 h MET 7 Cb 0.00 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1gw3 h MET 7 CO 0.00 0.98 -0.98 0.54 0.23 0.00 0.00 176.91 177.68 1gw3 n ARG 8 N -4.26 1.51 0.21 0.39 5.12 -1.26 -4.35 116.66 114.01 1gw3 n ARG 8 Ca 0.07 -0.04 0.06 0.00 -1.93 0.00 0.00 57.85 56.01 1gw3 n ARG 8 Cb 0.22 -1.27 0.44 0.00 -1.16 0.00 0.00 32.46 30.69 1gw3 n ARG 8 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1gw3 h ASP 9 N 0.00 0.00 -0.27 0.55 3.58 -1.83 -1.37 116.42 117.07 1gw3 h ASP 9 Ca 0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 1gw3 h ASP 9 Cb 0.46 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1gw3 h ASP 9 CO 0.00 0.31 0.19 0.03 -2.88 0.00 0.00 179.24 176.88 1gw3 h ARG 10 N 0.00 0.12 0.00 0.28 3.08 -1.76 0.16 114.38 116.26 1gw3 h ARG 10 Ca -0.00 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1gw3 h ARG 10 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1gw3 h ARG 10 CO 0.04 0.08 -0.78 0.00 -1.07 0.00 0.00 179.97 178.23 1gw3 h ALA 11 N 1.86 0.62 -0.77 0.04 0.00 -1.54 -3.21 119.26 116.26 1gw3 h ALA 11 Ca 0.12 -0.71 -0.48 0.00 0.00 0.00 0.00 54.91 53.84 1gw3 h ALA 11 Cb 0.33 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 17.77 1gw3 h ALA 11 CO -0.01 0.98 0.62 0.54 0.00 0.00 0.00 179.25 181.37 1gw3 n ARG 12 N -3.48 2.19 0.00 0.00 5.12 0.45 -3.52 116.66 117.42 1gw3 n ARG 12 Ca -0.00 -2.46 0.00 0.00 -1.93 0.00 0.00 57.85 53.46 1gw3 n ARG 12 Cb 0.79 -1.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 1gw3 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gw3 n ALA 13 N -0.51 2.18 1.25 7.54 0.00 -0.52 -4.78 120.51 125.67 1gw3 n ALA 13 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.05 1gw3 n ALA 13 Cb 0.89 0.16 0.38 0.00 0.00 0.00 0.00 19.45 20.88 1gw3 n ALA 13 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1gw3 n HIS 14 N -1.98 0.00 0.03 0.00 1.44 -1.23 -3.96 115.22 109.53 1gw3 n HIS 14 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1gw3 n HIS 14 Cb 0.16 -0.12 -0.14 0.00 0.12 0.00 0.00 29.99 30.02 1gw3 n HIS 14 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1gw3 h VAL 15 N 1.24 1.12 -0.09 0.61 2.07 -1.85 -2.68 116.25 116.66 1gw3 h VAL 15 Ca 0.00 -2.86 -0.11 0.00 0.82 0.00 0.00 66.70 64.55 1gw3 h VAL 15 Cb 0.51 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1gw3 h VAL 15 CO 0.00 0.74 -0.44 0.44 0.02 0.00 0.00 177.57 178.33 1gw3 h ASP 16 N 0.03 0.22 0.86 0.57 3.32 -1.86 -2.55 116.42 117.02 1gw3 h ASP 16 Ca -0.22 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.52 1gw3 h ASP 16 Cb 1.97 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 1gw3 h ASP 16 CO 0.12 0.64 -0.99 0.00 -1.72 0.00 0.00 179.24 177.29 1gw3 h ALA 17 N 1.37 0.39 -0.57 3.45 0.00 -1.69 -3.25 119.26 118.95 1gw3 h ALA 17 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 54.91 54.18 1gw3 h ALA 17 Cb 0.85 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1gw3 h ALA 17 CO 0.07 1.13 0.08 1.25 0.00 0.00 0.00 179.25 181.77 1gw3 h LEU 18 N 0.02 -0.08 -0.65 0.00 7.12 -1.10 -2.56 115.31 118.05 1gw3 h LEU 18 Ca -0.03 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1gw3 h LEU 18 Cb 1.71 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.99 1gw3 h LEU 18 CO 0.14 -0.03 0.43 0.03 -0.13 0.00 0.00 178.44 178.88 1gw3 h ARG 19 N 0.20 0.86 -0.40 1.25 3.08 -1.50 -1.80 114.38 116.07 1gw3 h ARG 19 Ca 0.30 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 1gw3 h ARG 19 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1gw3 h ARG 19 CO -0.42 0.58 -0.14 1.15 -1.07 0.00 0.00 179.97 180.08 1gw3 h THR 20 N 0.89 1.26 -0.42 2.04 2.02 -1.64 -0.06 112.91 117.00 1gw3 h THR 20 Ca 0.24 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1gw3 h THR 20 Cb -0.09 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1gw3 h THR 20 CO -0.05 0.40 0.13 0.45 0.37 0.00 0.00 175.52 176.82 1gw3 h HIS 21 N 0.66 0.60 -0.99 3.16 3.86 -0.91 -3.27 115.15 118.26 1gw3 h HIS 21 Ca 0.11 -0.03 -0.36 0.00 -1.16 0.00 0.00 60.37 58.93 1gw3 h HIS 21 Cb 0.61 -0.19 -0.36 0.00 1.06 0.00 0.00 27.41 28.53 1gw3 h HIS 21 CO 0.03 0.50 -1.06 1.28 0.86 0.00 0.00 177.93 179.54 1gw3 n LEU 22 N -4.35 0.76 0.15 2.43 4.77 -1.10 -4.89 117.00 114.78 1gw3 n LEU 22 Ca 0.03 -3.88 -0.07 0.00 -0.03 0.00 0.00 56.01 52.06 1gw3 n LEU 22 Cb 0.17 0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1gw3 n LEU 22 CO 0.38 1.74 0.23 0.00 -1.33 0.00 0.00 177.39 178.41 1gw3 h ALA 23 N 2.86 -0.56 0.00 -1.18 0.00 -1.06 -3.36 119.26 115.97 1gw3 h ALA 23 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gw3 h ALA 23 Cb 1.16 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1gw3 h ALA 23 CO 0.41 -0.52 0.00 -1.00 0.00 0.00 0.00 179.25 178.14 1gw3 h PRO 24 N -0.87 0.00 -3.71 0.00 0.13 -1.87 -3.38 132.00 122.31 1gw3 h PRO 24 Ca -0.05 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.33 1gw3 h PRO 24 Cb 0.34 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.32 1gw3 h PRO 24 CO 0.07 0.00 1.97 0.66 -0.23 0.00 0.00 178.00 180.48 1gw3 n TYR 25 N -2.53 3.25 0.00 1.56 4.02 -1.26 -4.24 117.16 117.96 1gw3 n TYR 25 Ca 0.03 -2.87 0.00 0.00 -0.01 0.00 0.00 57.90 55.05 1gw3 n TYR 25 Cb 0.33 -2.00 0.00 0.00 -0.02 0.00 0.00 39.34 37.65 1gw3 n TYR 25 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1gw3 n SER 26 N 4.21 0.00 0.09 7.72 3.41 -1.26 -4.90 113.62 122.89 1gw3 n SER 26 Ca 0.40 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1gw3 n SER 26 Cb 0.37 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1gw3 n SER 26 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1gw3 h ASP 27 N 0.00 0.59 0.67 4.04 5.19 -1.89 -3.17 116.42 121.84 1gw3 h ASP 27 Ca 0.00 -0.55 -0.03 0.00 -0.62 0.00 0.00 57.03 55.83 1gw3 h ASP 27 Cb 0.00 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.33 1gw3 h ASP 27 CO 0.00 1.38 -0.32 -0.08 -3.12 0.00 0.00 179.24 177.10 1gw3 h GLU 28 N 0.18 -0.87 -0.45 3.56 4.81 -1.91 -3.02 114.58 116.89 1gw3 h GLU 28 Ca -0.13 0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1gw3 h GLU 28 Cb 1.82 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 1gw3 h GLU 28 CO 0.20 -0.55 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.80 1gw3 h LEU 29 N -0.99 0.75 -1.49 1.64 3.38 -1.91 -2.91 115.31 113.78 1gw3 h LEU 29 Ca -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1gw3 h LEU 29 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1gw3 h LEU 29 CO 0.15 0.85 0.17 0.03 0.09 0.00 0.00 178.44 179.73 1gw3 h ARG 30 N 0.71 0.51 0.00 1.13 -0.00 -1.53 -2.46 114.38 112.73 1gw3 h ARG 30 Ca 0.13 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.50 1gw3 h ARG 30 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1gw3 h ARG 30 CO 0.03 0.41 -0.25 -0.56 0.00 0.00 0.00 179.97 179.59 1gw3 h GLN 31 N 0.51 0.00 -0.12 0.04 -0.00 -1.38 0.32 115.11 114.49 1gw3 h GLN 31 Ca 0.13 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.57 1gw3 h GLN 31 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1gw3 h GLN 31 CO -0.02 0.25 -0.77 0.07 -0.00 0.00 0.00 178.83 178.37 1gw3 h ARG 32 N 0.00 0.63 -0.37 0.06 0.11 -1.57 -3.23 114.38 110.01 1gw3 h ARG 32 Ca -0.00 -0.52 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1gw3 h ARG 32 Cb 0.47 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1gw3 h ARG 32 CO 0.03 1.14 0.00 1.28 0.10 0.00 0.00 179.97 182.52 1gw3 n LEU 33 N -3.89 2.46 -0.02 0.08 4.77 -0.54 -3.99 117.00 115.87 1gw3 n LEU 33 Ca -0.06 -1.15 -0.08 0.00 -0.03 0.00 0.00 56.01 54.69 1gw3 n LEU 33 Cb 0.74 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1gw3 n LEU 33 CO 0.51 0.57 -0.55 0.00 -1.33 0.00 0.00 177.39 176.59 1gw3 n ALA 34 N 0.84 1.51 -0.07 -1.18 0.00 0.10 -4.07 120.51 117.64 1gw3 n ALA 34 Ca 0.17 -0.79 -0.06 0.00 0.00 0.00 0.00 53.44 52.75 1gw3 n ALA 34 Cb 0.42 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1gw3 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gw3 n ALA 35 N -2.56 1.71 -0.03 0.00 0.00 -1.26 -4.35 120.51 114.02 1gw3 n ALA 35 Ca -0.18 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.23 1gw3 n ALA 35 Cb 1.05 -0.15 0.24 0.00 0.00 0.00 0.00 19.45 20.58 1gw3 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gw3 h ARG 36 N 0.00 0.60 -1.21 0.00 -0.00 -1.77 -3.22 114.38 108.77 1gw3 h ARG 36 Ca -0.40 -0.15 -0.46 0.00 -0.50 0.00 0.00 59.98 58.47 1gw3 h ARG 36 Cb 1.88 -0.07 -0.21 0.00 0.00 0.00 0.00 29.97 31.57 1gw3 h ARG 36 CO 0.02 0.66 0.59 1.28 0.00 0.00 0.00 179.97 182.52 1gw3 n LEU 37 N -4.23 6.69 -2.19 3.04 4.77 -1.26 -3.58 117.00 120.25 1gw3 n LEU 37 Ca 0.01 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 1gw3 n LEU 37 Cb 0.29 -0.95 0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1gw3 n LEU 37 CO 0.40 1.22 0.05 -0.62 -1.33 0.00 0.00 177.39 177.11 1gw3 n GLU 38 N -0.35 1.22 0.08 3.23 -0.58 -1.22 -4.76 120.64 118.25 1gw3 n GLU 38 Ca 0.45 -2.99 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1gw3 n GLU 38 Cb 0.81 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 1gw3 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gw3 n ALA 39 N -0.23 0.00 0.23 0.62 0.00 -1.24 -4.92 120.51 114.97 1gw3 n ALA 39 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1gw3 n ALA 39 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.34 1gw3 n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gw3 h LEU 40 N 0.00 -0.51 0.00 0.00 5.85 -1.91 -3.34 115.31 115.40 1gw3 h LEU 40 Ca 0.00 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1gw3 h LEU 40 Cb 0.00 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1gw3 h LEU 40 CO 0.00 -0.32 -1.34 2.29 -0.34 0.00 0.00 178.44 178.73 1gw3 n LYS 41 N -3.89 0.62 -2.57 1.25 2.85 -1.26 -5.02 118.16 110.14 1gw3 n LYS 41 Ca -0.08 0.15 -0.06 0.00 -1.05 0.00 0.00 58.31 57.27 1gw3 n LYS 41 Cb 0.24 -1.78 0.01 0.00 -0.65 0.00 0.00 35.03 32.84 1gw3 n LYS 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1gw3 n GLU 42 N -2.76 -1.95 -0.17 -1.58 -0.58 -1.26 -4.89 120.64 107.46 1gw3 n GLU 42 Ca -0.06 1.83 -0.01 0.00 -0.42 0.00 0.00 57.16 58.49 1gw3 n GLU 42 Cb 0.72 -4.81 0.07 0.00 -0.57 0.00 0.00 31.44 26.86 1gw3 n GLU 42 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1gw3 h ASN 43 N 1.64 -0.16 0.00 1.62 -1.24 -1.94 -3.42 115.58 112.07 1gw3 h ASN 43 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1gw3 h ASN 43 Cb 0.75 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1gw3 h ASN 43 CO 0.15 -0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.85 1gw3 n GLY 44 N -1.32 0.41 0.59 1.57 0.00 -1.26 -5.11 105.19 100.06 1gw3 n GLY 44 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1gw3 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gw3 n GLY 45 N 5.00 -1.78 0.87 -0.02 0.00 -1.26 -5.19 105.19 102.81 1gw3 n GLY 45 Ca 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1gw3 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32