#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqa s ASP 2 N 0.00 5.81 0.24 0.00 3.84 -1.26 -4.86 116.67 120.45 1gqa s ASP 2 Ca 0.00 2.21 -0.05 0.00 -0.00 0.00 0.00 52.55 54.71 1gqa s ASP 2 Cb 0.00 -2.59 0.40 0.00 -1.38 0.00 0.00 42.92 39.35 1gqa s ASP 2 CO 0.00 -1.16 1.79 0.00 -0.00 0.00 0.00 175.17 175.80 1gqa h ALA 3 N 1.38 1.12 -0.88 2.11 0.00 -1.99 -1.13 119.26 119.87 1gqa h ALA 3 Ca -0.50 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1gqa h ALA 3 Cb 1.26 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1gqa h ALA 3 CO 0.58 0.00 0.57 1.49 0.00 0.00 0.00 179.25 181.89 1gqa h GLU 4 N 0.68 0.96 -0.23 0.00 4.81 -1.97 -0.28 114.58 118.55 1gqa h GLU 4 Ca 0.39 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1gqa h GLU 4 Cb 0.42 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1gqa h GLU 4 CO -0.28 0.63 -0.18 0.45 -0.73 0.00 0.00 179.01 178.90 1gqa h HIS 5 N 0.99 0.62 -0.76 0.92 3.86 -1.59 -0.91 115.15 118.27 1gqa h HIS 5 Ca 0.38 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1gqa h HIS 5 Cb 0.22 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1gqa h HIS 5 CO -0.00 0.84 0.50 0.28 0.86 0.00 0.00 177.93 180.40 1gqa h VAL 6 N 0.22 1.20 -0.47 2.45 2.07 -0.75 -1.10 116.25 119.87 1gqa h VAL 6 Ca 0.04 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1gqa h VAL 6 Cb 0.71 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1gqa h VAL 6 CO 0.05 0.19 0.14 0.58 0.02 0.00 0.00 177.57 178.55 1gqa h VAL 7 N 1.03 1.23 -0.76 2.57 2.07 -0.95 -0.03 116.25 121.40 1gqa h VAL 7 Ca 0.28 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1gqa h VAL 7 Cb -0.11 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1gqa h VAL 7 CO -0.06 0.28 0.47 -0.33 0.02 0.00 0.00 177.57 177.94 1gqa h GLU 8 N 0.63 0.86 -0.42 1.57 5.08 -0.85 -1.24 114.58 120.20 1gqa h GLU 8 Ca 0.15 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1gqa h GLU 8 Cb 0.28 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1gqa h GLU 8 CO -0.00 0.57 -0.13 0.00 -1.00 0.00 0.00 179.01 178.44 1gqa h ALA 9 N 1.35 0.97 -0.22 3.43 0.00 -0.67 -0.77 119.26 123.35 1gqa h ALA 9 Ca 0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1gqa h ALA 9 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gqa h ALA 9 CO -0.14 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.60 1gqa h ARG 10 N 0.69 0.39 -0.49 0.00 2.43 -0.27 -0.80 114.38 116.33 1gqa h ARG 10 Ca 0.11 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1gqa h ARG 10 Cb 0.62 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1gqa h ARG 10 CO 0.04 0.60 0.01 0.87 -1.51 0.00 0.00 179.97 179.98 1gqa h LYS 11 N 0.14 0.82 -0.66 0.20 1.57 -1.24 -2.52 116.57 114.88 1gqa h LYS 11 Ca 0.06 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1gqa h LYS 11 Cb 0.44 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1gqa h LYS 11 CO 0.01 0.82 0.41 0.78 -0.57 0.00 0.00 179.45 180.90 1gqa h GLY 12 N 0.98 0.94 0.57 3.86 0.00 -0.85 0.24 103.07 108.81 1gqa h GLY 12 Ca 0.15 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1gqa h GLY 12 CO 0.02 0.36 -0.11 -1.82 0.00 0.00 0.00 176.54 174.99 1gqa h TYR 13 N 0.89 -0.28 0.00 5.60 3.20 -0.84 -1.09 116.97 124.46 1gqa h TYR 13 Ca 0.24 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1gqa h TYR 13 Cb -0.06 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1gqa h TYR 13 CO -0.02 -0.17 -0.48 0.74 -1.64 0.00 0.00 178.16 176.59 1gqa h PHE 14 N -0.13 0.00 -0.94 -3.82 0.04 -1.09 -2.23 116.94 108.76 1gqa h PHE 14 Ca 0.08 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.90 1gqa h PHE 14 Cb 0.25 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.35 1gqa h PHE 14 CO -0.23 0.48 0.62 0.77 -0.60 0.00 0.00 178.31 179.35 1gqa h SER 15 N 0.00 1.00 -0.14 2.17 0.02 0.39 0.64 113.55 117.63 1gqa h SER 15 Ca -0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1gqa h SER 15 Cb 0.87 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1gqa h SER 15 CO 0.06 0.67 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.26 1gqa h LEU 16 N 1.15 0.33 -0.31 5.07 3.38 -0.71 0.22 115.31 124.44 1gqa h LEU 16 Ca 0.39 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1gqa h LEU 16 Cb 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1gqa h LEU 16 CO -0.13 0.70 -0.10 0.58 0.09 0.00 0.00 178.44 179.58 1gqa h VAL 17 N -0.04 0.64 -0.68 1.22 2.07 -1.12 -1.30 116.25 117.05 1gqa h VAL 17 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1gqa h VAL 17 Cb 0.59 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1gqa h VAL 17 CO 0.03 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.87 1gqa h ALA 18 N 1.27 1.17 -0.65 1.67 0.00 -0.69 -1.17 119.26 120.86 1gqa h ALA 18 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gqa h ALA 18 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1gqa h ALA 18 CO -0.34 0.60 0.43 1.25 0.00 0.00 0.00 179.25 181.19 1gqa h LEU 19 N 0.99 0.74 0.02 0.00 7.12 -0.22 -0.58 115.31 123.37 1gqa h LEU 19 Ca 0.23 -0.02 -0.23 0.00 0.13 0.00 0.00 57.88 57.99 1gqa h LEU 19 Cb 0.21 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 1gqa h LEU 19 CO -0.02 0.54 -1.07 -0.33 -0.13 0.00 0.00 178.44 177.42 1gqa h GLU 20 N 0.87 0.11 0.00 1.25 4.39 -0.95 -3.32 114.58 116.94 1gqa h GLU 20 Ca 0.24 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 1gqa h GLU 20 Cb -0.10 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1gqa h GLU 20 CO -0.05 1.07 -0.85 0.35 -1.16 0.00 0.00 179.01 178.37 1gqa h PHE 21 N 0.03 0.09 -0.41 4.33 3.04 -1.11 -3.37 116.94 119.54 1gqa h PHE 21 Ca -0.06 -0.05 0.08 0.00 3.98 0.00 0.00 57.97 61.92 1gqa h PHE 21 Cb 1.82 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 40.23 1gqa h PHE 21 CO 0.02 0.88 -0.37 0.78 -2.02 0.00 0.00 178.31 177.60 1gqa h GLY 22 N 2.29 -0.38 1.64 2.40 0.00 -1.20 -0.57 103.07 107.25 1gqa h GLY 22 Ca -0.02 0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.72 1gqa h GLY 22 CO 0.12 -0.20 -0.10 -2.55 0.00 0.00 0.00 176.54 173.81 1gqa h PRO 23 N -0.28 0.44 -0.61 4.80 0.11 -1.77 -0.50 132.00 134.19 1gqa h PRO 23 Ca 0.16 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1gqa h PRO 23 Cb 0.56 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1gqa h PRO 23 CO -0.56 0.55 0.33 -0.07 -0.21 0.00 0.00 178.00 178.04 1gqa h LEU 24 N 0.41 0.76 -0.57 2.35 3.38 -1.58 -1.58 115.31 118.48 1gqa h LEU 24 Ca 0.08 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1gqa h LEU 24 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1gqa h LEU 24 CO 0.02 0.63 -0.06 0.00 0.09 0.00 0.00 178.44 179.13 1gqa h ALA 25 N 1.16 0.77 -0.63 1.53 0.00 -0.75 -1.59 119.26 119.75 1gqa h ALA 25 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gqa h ALA 25 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1gqa h ALA 25 CO -0.03 0.66 0.41 0.00 0.00 0.00 0.00 179.25 180.28 1gqa h ALA 26 N 0.95 0.80 -0.48 0.00 0.00 -0.90 -1.11 119.26 118.52 1gqa h ALA 26 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1gqa h ALA 26 Cb 0.63 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1gqa h ALA 26 CO 0.04 0.24 0.01 0.52 0.00 0.00 0.00 179.25 180.06 1gqa h MET 27 N 0.85 0.83 -0.63 0.00 2.07 -1.10 0.40 114.93 117.35 1gqa h MET 27 Ca 0.23 -0.26 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1gqa h MET 27 Cb -0.08 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.54 1gqa h MET 27 CO -0.05 0.87 0.36 0.00 1.07 0.00 0.00 176.91 179.17 1gqa h ALA 28 N 0.93 1.45 0.00 6.32 0.00 -1.00 -2.60 119.26 124.36 1gqa h ALA 28 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1gqa h ALA 28 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1gqa h ALA 28 CO 0.02 0.46 -0.37 0.87 0.00 0.00 0.00 179.25 180.24 1gqa h LYS 29 N 0.87 0.00 0.00 0.00 1.57 -0.98 -3.46 116.57 114.58 1gqa h LYS 29 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1gqa h LYS 29 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1gqa h LYS 29 CO -0.04 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.62 1gqa n GLY 30 N 1.00 0.87 0.14 3.86 0.00 -0.66 -4.96 105.19 105.44 1gqa n GLY 30 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1gqa n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gqa h GLU 31 N 3.69 0.22 -5.25 1.61 5.08 -1.21 -3.44 114.58 115.27 1gqa h GLU 31 Ca 0.00 -0.20 -0.58 0.00 -1.00 0.00 0.00 59.36 57.59 1gqa h GLU 31 Cb 0.00 0.05 -0.32 0.00 0.50 0.00 0.00 28.75 28.98 1gqa h GLU 31 CO 0.00 0.88 -0.84 1.41 -1.00 0.00 0.00 179.01 179.46 1gqa s MET 32 N -3.42 1.94 0.53 2.33 0.00 -1.11 -5.00 119.30 114.56 1gqa s MET 32 Ca -0.03 -0.63 -0.21 0.00 0.00 0.00 0.00 55.69 54.82 1gqa s MET 32 Cb 0.11 -1.64 -0.07 0.00 0.00 0.00 0.00 34.83 33.23 1gqa s MET 32 CO 0.82 0.22 1.02 -2.30 0.00 0.00 0.00 175.02 174.77 1gqa n PRO 33 N 3.25 1.17 -2.31 4.11 -0.02 -1.26 -4.14 135.00 135.80 1gqa n PRO 33 Ca -0.19 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 1gqa n PRO 33 Cb 0.53 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1gqa n PRO 33 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1gqa s TYR 34 N -1.41 3.13 -0.25 6.00 5.04 -1.26 -4.88 117.35 123.71 1gqa s TYR 34 Ca 0.70 1.03 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 1gqa s TYR 34 Cb -0.46 -3.56 0.08 0.00 0.35 0.00 0.00 41.96 38.36 1gqa s TYR 34 CO 0.51 -1.94 0.08 0.34 -1.34 0.00 0.00 175.55 173.20 1gqa s ASP 35 N 1.47 3.39 0.31 4.32 3.68 -1.26 -5.03 116.67 123.54 1gqa s ASP 35 Ca 0.61 -1.18 0.01 0.00 2.13 0.00 0.00 52.55 54.12 1gqa s ASP 35 Cb -0.31 -0.61 0.54 0.00 -1.45 0.00 0.00 42.92 41.09 1gqa s ASP 35 CO 0.27 -0.37 1.93 0.00 0.13 0.00 0.00 175.17 177.13 1gqa h ALA 36 N 8.24 1.52 -0.12 3.66 0.00 -1.94 0.12 119.26 130.74 1gqa h ALA 36 Ca -0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1gqa h ALA 36 Cb 1.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gqa h ALA 36 CO 0.40 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 179.90 1gqa h ALA 37 N 1.52 0.17 -0.85 0.00 0.00 -1.96 -0.98 119.26 117.16 1gqa h ALA 37 Ca 0.36 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1gqa h ALA 37 Cb 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1gqa h ALA 37 CO -0.12 0.03 0.56 0.00 0.00 0.00 0.00 179.25 179.72 1gqa h ALA 38 N 0.59 1.08 -0.58 0.00 0.00 -1.92 -1.40 119.26 117.02 1gqa h ALA 38 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gqa h ALA 38 Cb 0.65 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1gqa h ALA 38 CO 0.03 0.47 0.38 0.00 0.00 0.00 0.00 179.25 180.14 1gqa h ALA 39 N 1.31 0.74 -0.38 0.00 0.00 -0.67 -1.78 119.26 118.48 1gqa h ALA 39 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1gqa h ALA 39 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1gqa h ALA 39 CO -0.07 0.16 -0.29 0.87 0.00 0.00 0.00 179.25 179.93 1gqa h LYS 40 N 0.78 0.81 0.08 0.00 1.57 -0.89 -1.48 116.57 117.43 1gqa h LYS 40 Ca 0.21 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1gqa h LYS 40 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1gqa h LYS 40 CO -0.05 1.00 -0.04 0.00 -0.57 0.00 0.00 179.45 179.79 1gqa h ALA 41 N 0.98 -0.10 -0.49 3.86 0.00 -0.93 0.19 119.26 122.77 1gqa h ALA 41 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1gqa h ALA 41 Cb 0.83 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1gqa h ALA 41 CO 0.07 -0.55 0.18 0.45 0.00 0.00 0.00 179.25 179.39 1gqa h HIS 42 N -0.11 0.77 -0.38 0.00 3.86 -1.26 -2.29 115.15 115.74 1gqa h HIS 42 Ca -0.01 -0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1gqa h HIS 42 Cb 0.09 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 1gqa h HIS 42 CO -0.07 0.66 0.05 0.00 0.86 0.00 0.00 177.93 179.43 1gqa h ALA 43 N 1.03 0.39 -0.41 2.45 0.00 -1.05 -0.92 119.26 120.75 1gqa h ALA 43 Ca 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1gqa h ALA 43 Cb 0.23 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1gqa h ALA 43 CO -0.01 -0.35 -0.06 0.66 0.00 0.00 0.00 179.25 179.48 1gqa h SER 44 N 0.17 0.68 -0.77 0.00 4.64 -0.39 -1.40 113.55 116.47 1gqa h SER 44 Ca 0.19 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gqa h SER 44 Cb 0.24 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 1gqa h SER 44 CO -0.27 0.79 0.47 0.44 -0.87 0.00 0.00 176.83 177.39 1gqa h ASP 45 N 0.65 0.93 -0.82 4.97 3.45 -1.05 -1.79 116.42 122.76 1gqa h ASP 45 Ca 0.12 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1gqa h ASP 45 Cb 0.50 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 1gqa h ASP 45 CO 0.03 0.72 0.43 0.25 -1.57 0.00 0.00 179.24 179.09 1gqa h LEU 46 N 1.06 1.05 -0.58 1.55 5.85 -0.81 -2.13 115.31 121.29 1gqa h LEU 46 Ca 0.28 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1gqa h LEU 46 Cb -0.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1gqa h LEU 46 CO -0.05 0.86 0.37 0.58 -0.34 0.00 0.00 178.44 179.86 1gqa h VAL 47 N 1.17 1.16 -0.28 1.05 2.07 -0.54 -2.03 116.25 118.86 1gqa h VAL 47 Ca 0.29 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1gqa h VAL 47 Cb 0.07 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1gqa h VAL 47 CO -0.04 0.16 0.03 0.74 0.02 0.00 0.00 177.57 178.48 1gqa h THR 48 N 0.79 0.83 -0.92 2.57 2.02 -1.03 -1.82 112.91 115.35 1gqa h THR 48 Ca 0.21 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 67.49 1gqa h THR 48 Cb -0.05 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 66.99 1gqa h THR 48 CO -0.04 0.02 0.59 -0.07 0.37 0.00 0.00 175.52 176.39 1gqa h LEU 49 N 0.12 0.72 -0.32 2.58 3.38 -1.13 -0.76 115.31 119.90 1gqa h LEU 49 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gqa h LEU 49 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gqa h LEU 49 CO -0.20 0.36 0.00 0.71 0.09 0.00 0.00 178.44 179.40 1gqa h THR 50 N 0.76 0.00 0.00 0.22 1.35 -0.61 -2.99 112.91 111.64 1gqa h THR 50 Ca 0.46 -0.67 -0.17 0.00 -0.55 0.00 0.00 66.41 65.48 1gqa h THR 50 Cb 0.68 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 1gqa h THR 50 CO -0.23 0.00 -0.82 0.11 -0.25 0.00 0.00 175.52 174.34 1gqa h LYS 51 N 0.00 0.05 -6.58 4.72 1.79 -0.50 -3.44 116.57 112.60 1gqa h LYS 51 Ca 0.00 -0.05 -0.55 0.00 -2.18 0.00 0.00 60.65 57.87 1gqa h LYS 51 Cb 0.77 0.01 0.06 0.00 -1.58 0.00 0.00 32.23 31.49 1gqa h LYS 51 CO 0.00 0.84 0.93 0.98 -1.08 0.00 0.00 179.45 181.11 1gqa n TYR 52 N -3.61 2.54 -2.79 -1.35 9.36 -1.01 -4.94 117.16 115.36 1gqa n TYR 52 Ca -0.01 0.12 -0.43 0.00 3.32 0.00 0.00 57.90 60.90 1gqa n TYR 52 Cb 0.78 -2.62 -0.04 0.00 -0.63 0.00 0.00 39.34 36.83 1gqa n TYR 52 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1gqa s ASP 53 N 1.19 6.63 -0.04 2.98 2.15 -1.26 -4.93 116.67 123.39 1gqa s ASP 53 Ca 0.77 0.45 0.05 0.00 0.43 0.00 0.00 52.55 54.25 1gqa s ASP 53 Cb -0.58 -2.47 0.21 0.00 -0.30 0.00 0.00 42.92 39.78 1gqa s ASP 53 CO 0.35 -0.94 0.94 -0.81 -0.17 0.00 0.00 175.17 174.55 1gqa n PRO 54 N 6.96 1.87 -0.20 4.34 -0.05 -1.26 -4.48 135.00 142.18 1gqa n PRO 54 Ca 0.07 -0.82 0.00 0.00 -0.05 0.00 0.00 63.50 62.71 1gqa n PRO 54 Cb 0.48 -1.53 0.09 0.00 -0.05 0.00 0.00 33.50 32.49 1gqa n PRO 54 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 1gqa h SER 55 N 1.12 -0.28 0.40 3.54 0.02 -1.98 0.80 113.55 117.18 1gqa h SER 55 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1gqa h SER 55 Cb 0.70 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1gqa h SER 55 CO 0.09 -0.11 0.00 0.44 -1.14 0.00 0.00 176.83 176.11 1gqa h ASP 56 N 0.11 0.00 1.35 3.07 3.45 -2.03 -1.31 116.42 121.05 1gqa h ASP 56 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1gqa h ASP 56 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1gqa h ASP 56 CO -0.51 0.00 0.00 -0.07 -1.57 0.00 0.00 179.24 177.09 1gqa h LEU 57 N 0.00 0.00 -4.22 1.55 3.38 -1.16 -3.28 115.31 111.59 1gqa h LEU 57 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1gqa h LEU 57 Cb 0.20 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.58 1gqa h LEU 57 CO 0.00 0.00 -0.03 -1.22 0.09 0.00 0.00 178.44 177.28 1gqa n TYR 58 N -2.98 3.07 -1.70 1.13 4.02 -0.49 -4.82 117.16 115.40 1gqa n TYR 58 Ca 0.02 -2.66 -0.44 0.00 -0.01 0.00 0.00 57.90 54.82 1gqa n TYR 58 Cb 0.38 -0.72 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 1gqa n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gqa n ALA 59 N -0.68 1.86 -1.58 -0.72 0.00 -1.24 -4.93 120.51 113.22 1gqa n ALA 59 Ca 0.49 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.96 1gqa n ALA 59 Cb 0.69 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.79 1gqa n ALA 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gqa n PRO 60 N 2.81 0.91 -1.09 0.00 -0.04 -1.26 -2.91 135.00 133.41 1gqa n PRO 60 Ca 0.13 0.35 -0.03 0.00 -0.04 0.00 0.00 63.50 63.90 1gqa n PRO 60 Cb 0.33 -2.03 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1gqa n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gqa n GLY 61 N 1.38 0.64 0.15 0.55 0.00 -1.26 -4.93 105.19 101.71 1gqa n GLY 61 Ca 0.12 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1gqa n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqa n THR 62 N -2.89 1.93 -1.92 2.61 -2.24 -1.14 -4.65 114.28 105.97 1gqa n THR 62 Ca -0.03 -2.40 -0.30 0.00 -2.27 0.00 0.00 64.05 59.05 1gqa n THR 62 Cb 0.12 -0.24 0.15 0.00 -2.10 0.00 0.00 70.33 68.26 1gqa n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gqa s SER 63 N -2.92 3.56 0.54 3.42 1.04 -1.26 -4.76 113.70 113.31 1gqa s SER 63 Ca 0.33 0.43 0.28 0.00 0.48 0.00 0.00 55.95 57.47 1gqa s SER 63 Cb 0.29 -0.62 1.53 0.00 0.10 0.00 0.00 66.02 67.32 1gqa s SER 63 CO 0.02 -2.47 2.11 0.00 0.98 0.00 0.00 173.24 173.88 1gqa h ALA 64 N -1.46 1.32 0.00 5.32 0.00 -0.67 0.12 119.26 123.89 1gqa h ALA 64 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gqa h ALA 64 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1gqa h ALA 64 CO 0.47 0.12 0.00 -0.44 0.00 0.00 0.00 179.25 179.40 1gqa h ASP 65 N 0.00 0.00 0.00 0.00 3.32 -1.93 -3.38 116.42 114.44 1gqa h ASP 65 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1gqa h ASP 65 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1gqa h ASP 65 CO 0.01 0.00 -2.02 0.47 -1.72 0.00 0.00 179.24 175.98 1gqa n ASP 66 N -2.71 2.56 -4.14 6.45 8.00 -0.02 -5.04 116.55 121.65 1gqa n ASP 66 Ca 0.02 -0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.34 1gqa n ASP 66 Cb 0.30 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1gqa n ASP 66 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1gqa s VAL 67 N -2.36 0.53 0.48 2.53 -7.23 -0.91 -4.98 120.40 108.45 1gqa s VAL 67 Ca -0.24 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 1gqa s VAL 67 Cb 0.06 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1gqa s VAL 67 CO 0.41 -0.90 0.69 -0.54 -0.31 0.00 0.00 175.10 174.46 1gqa s LYS 68 N -3.77 2.83 0.00 4.82 3.01 -1.26 -4.30 119.74 121.07 1gqa s LYS 68 Ca 0.09 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.35 1gqa s LYS 68 Cb 0.06 -2.56 0.00 0.00 -1.01 0.00 0.00 37.83 34.32 1gqa s LYS 68 CO -0.06 -0.44 0.00 0.41 0.51 0.00 0.00 175.35 175.77 1gqa n GLY 69 N -2.15 0.67 3.36 -3.33 0.00 -1.26 -5.02 105.19 97.45 1gqa n GLY 69 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1gqa n GLY 69 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqa s THR 70 N -2.57 1.90 0.00 2.61 -1.32 -1.26 -5.00 115.64 110.00 1gqa s THR 70 Ca 0.00 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 1gqa s THR 70 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1gqa s THR 70 CO 0.00 -0.39 0.91 0.00 -2.21 0.00 0.00 174.62 172.94 1gqa n ALA 71 N 0.02 1.84 -2.34 11.08 0.00 -1.26 -4.66 120.51 125.18 1gqa n ALA 71 Ca -0.11 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1gqa n ALA 71 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1gqa n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqa s ALA 72 N -0.83 3.53 0.42 0.00 0.00 -1.26 -0.84 121.76 122.78 1gqa s ALA 72 Ca 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1gqa s ALA 72 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1gqa s ALA 72 CO 0.00 -1.45 1.07 0.15 0.00 0.00 0.00 175.76 175.54 1gqa s LYS 73 N 3.87 4.06 0.50 0.00 1.02 -0.50 -0.02 119.74 128.67 1gqa s LYS 73 Ca 0.59 1.56 0.18 0.00 0.02 0.00 0.00 55.97 58.32 1gqa s LYS 73 Cb -0.22 -2.49 1.24 0.00 -0.52 0.00 0.00 37.83 35.84 1gqa s LYS 73 CO 0.20 -0.24 2.07 0.00 -0.92 0.00 0.00 175.35 176.46 1gqa h ALA 74 N 2.35 2.13 -1.20 5.17 0.00 -1.94 -0.70 119.26 125.07 1gqa h ALA 74 Ca -0.49 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 54.80 1gqa h ALA 74 Cb 1.22 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1gqa h ALA 74 CO 0.62 -0.20 0.76 0.00 0.00 0.00 0.00 179.25 180.43 1gqa h ALA 75 N 1.85 2.51 -0.69 0.00 0.00 -1.91 -0.44 119.26 120.58 1gqa h ALA 75 Ca 0.13 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1gqa h ALA 75 Cb 0.39 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1gqa h ALA 75 CO -0.02 -1.09 0.24 0.82 0.00 0.00 0.00 179.25 179.20 1gqa h ILE 76 N 0.18 0.67 0.00 0.00 2.04 -1.43 0.58 117.51 119.55 1gqa h ILE 76 Ca 0.76 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 66.44 1gqa h ILE 76 Cb 2.21 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1gqa h ILE 76 CO -0.43 0.07 -0.46 -0.50 0.00 0.00 0.00 178.15 176.84 1gqa h TRP 77 N 0.39 0.00 0.00 1.37 6.55 -1.28 -3.26 115.95 119.72 1gqa h TRP 77 Ca 0.37 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.21 1gqa h TRP 77 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 1gqa h TRP 77 CO -0.19 0.22 -0.41 1.96 -1.05 0.00 0.00 178.44 178.97 1gqa h GLN 78 N 0.00 0.00 -2.12 0.49 4.20 -0.90 -3.37 115.11 113.41 1gqa h GLN 78 Ca -0.02 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 1gqa h GLN 78 Cb 1.18 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.55 1gqa h GLN 78 CO 0.03 0.00 -0.89 -3.47 -0.67 0.00 0.00 178.83 173.83 1gqa n ASP 79 N -2.52 2.29 -0.01 1.46 2.03 0.08 -4.93 116.55 114.95 1gqa n ASP 79 Ca 0.03 -3.20 0.02 0.00 0.52 0.00 0.00 54.79 52.16 1gqa n ASP 79 Cb 0.48 -0.62 0.36 0.00 -0.72 0.00 0.00 41.12 40.62 1gqa n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gqa h ALA 80 N 3.54 1.56 -0.31 -1.67 0.00 -1.73 -1.01 119.26 119.64 1gqa h ALA 80 Ca 0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1gqa h ALA 80 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1gqa h ALA 80 CO 0.65 0.35 -0.45 -0.44 0.00 0.00 0.00 179.25 179.36 1gqa h ASP 81 N 0.56 0.86 0.06 0.00 3.45 -1.91 -1.84 116.42 117.59 1gqa h ASP 81 Ca 0.14 -0.42 -0.11 0.00 0.43 0.00 0.00 57.03 57.08 1gqa h ASP 81 Cb 0.09 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1gqa h ASP 81 CO -0.02 1.18 -0.34 1.23 -1.57 0.00 0.00 179.24 179.73 1gqa h GLY 82 N 0.86 0.43 0.77 2.75 0.00 -1.83 -2.55 103.07 103.50 1gqa h GLY 82 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1gqa h GLY 82 CO 0.10 0.35 0.00 -2.75 0.00 0.00 0.00 176.54 174.24 1gqa h PHE 83 N 0.34 0.21 -0.55 5.60 3.04 -1.05 -2.06 116.94 122.47 1gqa h PHE 83 Ca 0.04 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1gqa h PHE 83 Cb 0.76 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1gqa h PHE 83 CO 0.02 0.43 0.31 1.96 -2.02 0.00 0.00 178.31 179.01 1gqa h GLN 84 N -0.07 0.74 -0.51 1.11 1.08 -1.31 -1.29 115.11 114.86 1gqa h GLN 84 Ca 0.03 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1gqa h GLN 84 Cb 0.34 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1gqa h GLN 84 CO 0.00 0.54 0.34 0.00 -0.95 0.00 0.00 178.83 178.76 1gqa h ALA 85 N 1.59 0.65 -0.33 3.87 0.00 -1.27 0.25 119.26 124.01 1gqa h ALA 85 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1gqa h ALA 85 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1gqa h ALA 85 CO -0.03 0.09 -0.27 0.87 0.00 0.00 0.00 179.25 179.91 1gqa h LYS 86 N 0.69 0.68 -0.48 0.00 1.79 -0.90 -1.40 116.57 116.96 1gqa h LYS 86 Ca 0.19 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1gqa h LYS 86 Cb -0.08 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1gqa h LYS 86 CO -0.04 0.87 0.30 0.78 -1.08 0.00 0.00 179.45 180.28 1gqa h GLY 87 N 0.99 0.67 1.03 3.86 0.00 -0.95 -2.54 103.07 106.13 1gqa h GLY 87 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1gqa h GLY 87 CO 0.06 0.22 0.09 1.98 0.00 0.00 0.00 176.54 178.89 1gqa h MET 88 N 0.61 0.97 -0.94 4.80 1.85 -0.24 -0.70 114.93 121.29 1gqa h MET 88 Ca 0.18 -0.26 0.05 0.00 -0.61 0.00 0.00 59.70 59.06 1gqa h MET 88 Cb -0.03 -0.11 -0.06 0.00 0.43 0.00 0.00 31.60 31.83 1gqa h MET 88 CO -0.06 0.92 0.61 0.00 -0.40 0.00 0.00 176.91 177.98 1gqa h ALA 89 N 1.01 1.44 0.14 0.39 0.00 -1.13 -0.94 119.26 120.18 1gqa h ALA 89 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gqa h ALA 89 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gqa h ALA 89 CO 0.01 0.45 -0.07 0.35 0.00 0.00 0.00 179.25 179.99 1gqa h PHE 90 N 1.13 -0.18 -0.67 0.00 3.57 -0.99 -1.35 116.94 118.45 1gqa h PHE 90 Ca 0.39 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.99 1gqa h PHE 90 Cb 0.10 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.82 1gqa h PHE 90 CO -0.00 0.12 0.27 0.74 -2.23 0.00 0.00 178.31 177.21 1gqa h PHE 91 N -0.47 0.47 -0.51 0.41 0.05 -0.68 -1.34 116.94 114.87 1gqa h PHE 91 Ca -0.02 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.73 1gqa h PHE 91 Cb 0.37 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.19 1gqa h PHE 91 CO 0.02 0.11 0.03 0.93 -0.18 0.00 0.00 178.31 179.22 1gqa h GLU 92 N 0.46 0.83 -0.35 1.51 5.08 -1.02 -1.78 114.58 119.32 1gqa h GLU 92 Ca 0.35 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1gqa h GLU 92 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1gqa h GLU 92 CO -0.33 0.82 -0.20 0.00 -1.00 0.00 0.00 179.01 178.30 1gqa h ALA 93 N 1.25 1.00 -0.36 3.43 0.00 -0.19 -2.54 119.26 121.85 1gqa h ALA 93 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1gqa h ALA 93 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gqa h ALA 93 CO 0.02 0.59 0.00 0.28 0.00 0.00 0.00 179.25 180.14 1gqa h VAL 94 N 0.59 1.26 -0.83 0.00 2.07 -1.11 -2.29 116.25 115.93 1gqa h VAL 94 Ca 0.09 -0.98 0.12 0.00 0.82 0.00 0.00 66.70 66.75 1gqa h VAL 94 Cb 0.66 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1gqa h VAL 94 CO 0.05 0.33 0.44 0.00 0.02 0.00 0.00 177.57 178.41 1gqa h ALA 95 N 0.87 1.21 0.00 1.67 0.00 -1.07 -0.46 119.26 121.49 1gqa h ALA 95 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1gqa h ALA 95 Cb 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gqa h ALA 95 CO 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.13 1gqa h ALA 96 N 1.51 1.02 -0.37 0.00 0.00 -1.22 -3.07 119.26 117.13 1gqa h ALA 96 Ca 0.43 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1gqa h ALA 96 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1gqa h ALA 96 CO -0.31 0.16 -0.03 1.25 0.00 0.00 0.00 179.25 180.32 1gqa h LEU 97 N 0.00 0.57 0.63 0.00 5.85 -0.50 -3.19 115.31 118.67 1gqa h LEU 97 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1gqa h LEU 97 Cb 0.65 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1gqa h LEU 97 CO 0.02 0.67 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.06 1gqa h GLU 98 N 0.57 -0.93 -0.63 1.25 5.08 -1.48 -1.15 114.58 117.28 1gqa h GLU 98 Ca 0.11 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1gqa h GLU 98 Cb 0.41 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1gqa h GLU 98 CO 0.02 -0.62 0.42 -1.00 -1.00 0.00 0.00 179.01 176.83 1gqa h PRO 99 N -0.96 0.77 -0.62 2.33 0.13 -1.77 -2.16 132.00 129.72 1gqa h PRO 99 Ca -0.08 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1gqa h PRO 99 Cb 0.77 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1gqa h PRO 99 CO 0.08 0.51 0.07 0.00 -0.23 0.00 0.00 178.00 178.43 1gqa h ALA 100 N 1.62 0.94 -0.98 -0.56 0.00 -1.52 -3.27 119.26 115.50 1gqa h ALA 100 Ca 0.24 -0.28 0.25 0.00 0.00 0.00 0.00 54.91 55.13 1gqa h ALA 100 Cb 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 17.79 17.37 1gqa h ALA 100 CO -0.06 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 1gqa n ALA 101 N -2.47 0.43 0.36 0.00 0.00 -0.45 -0.83 120.51 117.55 1gqa n ALA 101 Ca 0.04 1.06 0.09 0.00 0.00 0.00 0.00 53.44 54.63 1gqa n ALA 101 Cb 0.31 -0.74 0.25 0.00 0.00 0.00 0.00 19.45 19.27 1gqa n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqa n GLY 102 N -1.52 1.46 1.21 0.00 0.00 -1.23 -4.36 105.19 100.74 1gqa n GLY 102 Ca 0.21 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1gqa n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqa n ALA 103 N 1.07 2.69 0.00 4.61 0.00 -0.01 -5.00 120.51 123.86 1gqa n ALA 103 Ca 0.18 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1gqa n ALA 103 Cb 0.46 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1gqa n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqa n GLY 104 N 0.88 3.78 0.25 0.00 0.00 -1.26 -4.68 105.19 104.16 1gqa n GLY 104 Ca 0.21 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 1gqa n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gqa h GLN 105 N 0.00 0.84 -0.48 1.61 -0.00 -1.93 -1.81 115.11 113.34 1gqa h GLN 105 Ca 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 1gqa h GLN 105 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.29 1gqa h GLN 105 CO 0.00 0.64 0.13 0.87 0.00 0.00 0.00 178.83 180.47 1gqa h LYS 106 N 0.82 0.77 -0.43 1.69 1.79 -1.97 0.49 116.57 119.73 1gqa h LYS 106 Ca 0.21 -0.18 -0.09 0.00 -2.18 0.00 0.00 60.65 58.42 1gqa h LYS 106 Cb 0.04 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1gqa h LYS 106 CO -0.03 0.74 -0.06 0.93 -1.08 0.00 0.00 179.45 179.94 1gqa h GLU 107 N 0.66 0.80 -0.54 3.15 5.08 -1.81 -2.17 114.58 119.74 1gqa h GLU 107 Ca 0.15 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1gqa h GLU 107 Cb 0.31 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1gqa h GLU 107 CO -0.00 0.90 0.32 1.25 -1.00 0.00 0.00 179.01 180.48 1gqa h LEU 108 N 0.63 0.51 -1.24 1.33 7.12 -1.24 -1.18 115.31 121.24 1gqa h LEU 108 Ca 0.11 0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.18 1gqa h LEU 108 Cb 0.58 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.57 1gqa h LEU 108 CO 0.03 0.35 0.53 0.00 -0.13 0.00 0.00 178.44 179.23 1gqa h ALA 109 N 1.25 1.54 0.07 1.25 0.00 -0.69 0.55 119.26 123.22 1gqa h ALA 109 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gqa h ALA 109 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1gqa h ALA 109 CO -0.11 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 1gqa h ALA 110 N 1.54 -0.09 -0.69 0.00 0.00 -0.74 -0.64 119.26 118.64 1gqa h ALA 110 Ca 0.33 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1gqa h ALA 110 Cb 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1gqa h ALA 110 CO -0.10 -0.37 0.41 0.00 0.00 0.00 0.00 179.25 179.19 1gqa h ALA 111 N 0.43 0.91 -0.63 0.00 0.00 -0.75 -2.50 119.26 116.72 1gqa h ALA 111 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gqa h ALA 111 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1gqa h ALA 111 CO 0.02 0.15 0.33 0.28 0.00 0.00 0.00 179.25 180.02 1gqa h VAL 112 N 0.79 1.21 -0.94 0.00 2.07 -0.83 -2.14 116.25 116.41 1gqa h VAL 112 Ca 0.29 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.40 1gqa h VAL 112 Cb 0.09 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 1gqa h VAL 112 CO -0.14 0.23 0.56 1.23 0.02 0.00 0.00 177.57 179.47 1gqa h GLY 113 N 0.87 1.58 0.84 2.17 0.00 -0.69 0.15 103.07 107.99 1gqa h GLY 113 Ca 0.22 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1gqa h GLY 113 CO -0.03 0.03 -0.10 0.50 0.00 0.00 0.00 176.54 176.95 1gqa h LYS 114 N 0.80 0.47 -0.04 4.80 1.79 -1.10 -1.99 116.57 121.30 1gqa h LYS 114 Ca 0.50 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.80 1gqa h LYS 114 Cb 0.65 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1gqa h LYS 114 CO -0.33 0.73 -0.09 0.28 -1.08 0.00 0.00 179.45 178.96 1gqa h VAL 115 N 0.19 0.75 -0.78 0.50 2.07 -0.96 -2.23 116.25 115.79 1gqa h VAL 115 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1gqa h VAL 115 Cb 0.58 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1gqa h VAL 115 CO 0.03 0.00 0.34 1.23 0.02 0.00 0.00 177.57 179.19 1gqa h GLY 116 N -0.14 1.22 0.50 2.17 0.00 -0.61 0.20 103.07 106.41 1gqa h GLY 116 Ca 0.05 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.30 1gqa h GLY 116 CO -0.12 -0.08 0.53 -1.33 0.00 0.00 0.00 176.54 175.55 1gqa h GLY 117 N 0.50 1.42 1.17 4.60 0.00 -0.90 -2.04 103.07 107.83 1gqa h GLY 117 Ca 0.43 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1gqa h GLY 117 CO -0.39 0.14 0.09 -0.91 0.00 0.00 0.00 176.54 175.48 1gqa h THR 118 N 0.87 1.26 0.02 4.70 1.35 -0.07 -0.45 112.91 120.59 1gqa h THR 118 Ca 0.44 -1.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1gqa h THR 118 Cb 0.41 0.68 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 1gqa h THR 118 CO -0.25 0.37 -0.28 0.00 -0.25 0.00 0.00 175.52 175.11 1gqa h LYS 120 N -0.43 0.93 -0.83 0.00 1.63 -1.15 -1.91 116.57 114.82 1gqa h LYS 120 Ca 0.06 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1gqa h LYS 120 Cb 0.51 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1gqa h LYS 120 CO -0.22 0.94 0.54 1.03 -3.45 0.00 0.00 179.45 178.28 1gqa h SER 121 N 0.81 0.96 0.04 4.20 0.87 -1.00 0.15 113.55 119.58 1gqa h SER 121 Ca 0.15 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1gqa h SER 121 Cb 0.50 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1gqa h SER 121 CO 0.02 0.70 -0.02 0.00 -0.53 0.00 0.00 176.83 177.00 1gqa h HIS 123 N -0.30 0.86 -0.83 0.00 -0.00 -0.75 -0.90 115.15 113.24 1gqa h HIS 123 Ca -0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1gqa h HIS 123 Cb 0.28 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1gqa h HIS 123 CO 0.01 0.24 0.42 -0.44 -0.00 0.00 0.00 177.93 178.17 1gqa h ASP 124 N 0.66 1.05 0.06 2.45 3.45 -0.61 -1.85 116.42 121.65 1gqa h ASP 124 Ca 0.51 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.82 1gqa h ASP 124 Cb 0.91 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1gqa h ASP 124 CO -0.27 0.87 -1.98 0.47 -1.57 0.00 0.00 179.24 176.76 1gqa n ASP 125 N -4.32 0.06 0.00 6.45 8.00 -0.99 -4.75 116.55 120.99 1gqa n ASP 125 Ca 0.08 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1gqa n ASP 125 Cb 0.12 1.78 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 1gqa n ASP 125 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1gqa n PHE 126 N -2.35 0.00 -4.97 1.24 3.01 -0.38 -4.87 117.46 109.15 1gqa n PHE 126 Ca -0.07 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.06 1gqa n PHE 126 Cb 0.64 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.96 1gqa n PHE 126 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1gqa s ARG 127 N -0.05 3.18 0.42 -1.08 3.52 -0.71 -1.41 118.95 122.82 1gqa s ARG 127 Ca 0.00 -0.77 -0.26 0.00 -0.13 0.00 0.00 55.73 54.57 1gqa s ARG 127 Cb 0.00 -2.47 -0.09 0.00 -1.56 0.00 0.00 34.95 30.82 1gqa s ARG 127 CO 0.00 0.23 1.45 0.14 -0.81 0.00 0.00 175.30 176.31 1gqa s VAL 128 N 0.26 2.07 -0.18 7.11 -7.23 -0.02 -4.77 120.40 117.64 1gqa s VAL 128 Ca -0.12 0.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.98 1gqa s VAL 128 Cb -0.16 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 1gqa s VAL 128 CO 0.07 0.01 0.28 -1.59 -0.31 0.00 0.00 175.10 173.56 1gqa s LYS 129 N -2.30 4.21 0.00 4.82 0.00 -1.26 -5.00 119.74 120.21 1gqa s LYS 129 Ca 0.57 0.03 0.00 0.00 0.00 0.00 0.00 55.97 56.58 1gqa s LYS 129 Cb -0.45 -3.47 0.00 0.00 0.00 0.00 0.00 37.83 33.92 1gqa s LYS 129 CO 0.59 0.16 0.00 -2.13 0.00 0.00 0.00 175.35 173.97