#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gn3 s GLU 3 N 0.00 2.52 0.51 0.00 2.02 -1.26 -5.04 118.70 117.44 1gn3 s GLU 3 Ca 0.00 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.22 1gn3 s GLU 3 Cb 0.00 -2.41 -0.08 0.00 0.10 0.00 0.00 34.13 31.75 1gn3 s GLU 3 CO 0.00 -0.81 1.00 0.71 0.02 0.00 0.00 175.26 176.18 1gn3 s TYR 4 N -2.87 3.27 0.03 1.61 1.51 -1.26 -5.07 117.35 114.56 1gn3 s TYR 4 Ca 0.57 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 58.16 1gn3 s TYR 4 Cb -0.10 -2.88 -0.02 0.00 -0.11 0.00 0.00 41.96 38.84 1gn3 s TYR 4 CO 0.40 -0.51 -0.04 0.95 -1.11 0.00 0.00 175.55 175.23 1gn3 s THR 5 N -2.40 0.25 -0.01 -0.71 -4.23 -1.26 -4.91 115.64 102.36 1gn3 s THR 5 Ca 0.62 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.90 1gn3 s THR 5 Cb -0.12 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 1gn3 s THR 5 CO 0.27 -0.44 1.27 -0.22 -0.54 0.00 0.00 174.62 174.96 1gn3 s LEU 6 N -1.43 4.31 0.59 4.79 2.96 -1.26 -4.97 118.68 123.66 1gn3 s LEU 6 Ca -0.13 1.97 -0.13 0.00 -0.22 0.00 0.00 54.13 55.62 1gn3 s LEU 6 Cb -0.10 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1gn3 s LEU 6 CO -0.01 -0.61 1.02 -2.16 -1.32 0.00 0.00 176.35 173.27 1gn3 s PRO 7 N 2.04 3.70 0.24 0.98 0.04 -1.26 -5.07 135.00 135.67 1gn3 s PRO 7 Ca 0.59 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 1gn3 s PRO 7 Cb -0.28 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 1gn3 s PRO 7 CO 0.25 -0.48 0.82 -0.51 0.04 0.00 0.00 177.00 177.12 1gn3 s ASP 8 N -3.87 7.26 0.41 6.66 1.01 -1.26 -5.07 116.67 121.82 1gn3 s ASP 8 Ca 0.56 1.64 -0.16 0.00 0.71 0.00 0.00 52.55 55.30 1gn3 s ASP 8 Cb -0.11 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1gn3 s ASP 8 CO 0.48 0.05 0.86 -0.76 0.21 0.00 0.00 175.17 176.01 1gn3 s LEU 9 N -1.76 3.88 -0.06 1.23 1.43 -1.26 -4.91 118.68 117.24 1gn3 s LEU 9 Ca 0.43 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1gn3 s LEU 9 Cb -0.19 -4.31 0.26 0.00 0.03 0.00 0.00 46.19 41.97 1gn3 s LEU 9 CO 0.24 -0.38 0.99 0.47 0.23 0.00 0.00 176.35 177.91 1gn3 n ASP 10 N -0.90 2.20 -3.67 2.29 8.00 -1.26 -4.83 116.55 118.39 1gn3 n ASP 10 Ca 0.05 -2.22 -0.08 0.00 0.71 0.00 0.00 54.79 53.25 1gn3 n ASP 10 Cb 0.54 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 1gn3 n ASP 10 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1gn3 s TRP 11 N -1.61 -0.31 0.21 1.24 1.48 -1.26 -5.06 118.94 113.62 1gn3 s TRP 11 Ca 0.18 -0.01 -0.30 0.00 -1.06 0.00 0.00 56.10 54.90 1gn3 s TRP 11 Cb 0.12 0.63 -0.08 0.00 -1.16 0.00 0.00 33.47 32.98 1gn3 s TRP 11 CO 0.07 -0.98 1.17 0.34 -4.06 0.00 0.00 176.95 173.49 1gn3 s ASP 12 N -2.82 7.13 0.42 -2.66 -1.08 -1.26 -4.88 116.67 111.51 1gn3 s ASP 12 Ca 0.07 2.23 0.29 0.00 -0.52 0.00 0.00 52.55 54.63 1gn3 s ASP 12 Cb -0.03 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 1gn3 s ASP 12 CO -0.02 -0.32 1.55 -1.22 0.52 0.00 0.00 175.17 175.69 1gn3 n TYR 13 N 2.19 0.81 1.07 -5.34 4.01 -1.26 0.29 117.16 118.93 1gn3 n TYR 13 Ca 0.03 0.82 0.12 0.00 -0.16 0.00 0.00 57.90 58.70 1gn3 n TYR 13 Cb 0.45 -1.24 0.34 0.00 -0.31 0.00 0.00 39.34 38.57 1gn3 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gn3 n GLY 14 N -1.45 0.62 0.56 2.72 0.00 -1.26 -4.33 105.19 102.04 1gn3 n GLY 14 Ca 0.39 -0.53 0.43 0.00 0.00 0.00 0.00 46.02 46.31 1gn3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gn3 h ALA 15 N 4.32 3.19 -0.01 4.61 0.00 -0.53 0.09 119.26 130.94 1gn3 h ALA 15 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gn3 h ALA 15 Cb 0.67 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gn3 h ALA 15 CO 0.00 -1.76 -0.12 1.28 0.00 0.00 0.00 179.25 178.65 1gn3 n LEU 16 N -4.36 0.62 -4.77 0.00 4.77 -1.26 -4.74 117.00 107.27 1gn3 n LEU 16 Ca 0.38 -0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1gn3 n LEU 16 Cb 1.62 -0.15 0.10 0.00 -2.33 0.00 0.00 43.42 42.66 1gn3 n LEU 16 CO 0.32 0.11 0.69 -1.61 -1.33 0.00 0.00 177.39 175.58 1gn3 s GLU 17 N -2.41 2.10 0.00 3.23 0.41 0.02 -1.53 118.70 120.52 1gn3 s GLU 17 Ca 0.30 0.98 0.27 0.00 -0.41 0.00 0.00 54.97 56.12 1gn3 s GLU 17 Cb 0.20 -1.89 0.90 0.00 -1.78 0.00 0.00 34.13 31.56 1gn3 s GLU 17 CO 0.46 -1.70 1.66 -0.35 -0.49 0.00 0.00 175.26 174.85 1gn3 n PRO 18 N -3.54 0.69 -0.32 0.39 -0.04 -1.26 -4.84 135.00 126.09 1gn3 n PRO 18 Ca 0.08 -0.35 0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1gn3 n PRO 18 Cb 0.54 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 33.06 1gn3 n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gn3 h HIS 19 N 0.86 0.52 -3.49 0.54 3.86 -1.69 -3.40 115.15 112.35 1gn3 h HIS 19 Ca 0.00 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 58.91 1gn3 h HIS 19 Cb 0.46 -0.15 -0.35 0.00 1.06 0.00 0.00 27.41 28.43 1gn3 h HIS 19 CO 0.00 0.05 -0.73 0.42 0.86 0.00 0.00 177.93 178.52 1gn3 s ILE 20 N -5.38 -0.05 0.16 2.45 1.01 -0.58 -4.85 121.20 113.96 1gn3 s ILE 20 Ca -0.08 0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 1gn3 s ILE 20 Cb 0.25 -0.11 -0.09 0.00 0.01 0.00 0.00 42.46 42.52 1gn3 s ILE 20 CO 0.80 0.11 1.47 -0.94 0.00 0.00 0.00 174.94 176.38 1gn3 s SER 21 N 1.24 6.70 0.26 3.58 1.04 -1.26 -3.52 113.70 121.72 1gn3 s SER 21 Ca -0.07 2.51 -0.03 0.00 0.48 0.00 0.00 55.95 58.84 1gn3 s SER 21 Cb -0.13 -2.60 0.52 0.00 0.10 0.00 0.00 66.02 63.92 1gn3 s SER 21 CO -0.03 -0.73 1.70 1.23 0.98 0.00 0.00 173.24 176.39 1gn3 h GLY 22 N 6.47 1.19 -0.48 7.32 0.00 -1.87 0.55 103.07 116.25 1gn3 h GLY 22 Ca -0.43 -0.11 0.13 0.00 0.00 0.00 0.00 47.33 46.92 1gn3 h GLY 22 CO 0.87 -0.18 -0.27 -1.61 0.00 0.00 0.00 176.54 175.35 1gn3 h GLN 23 N 0.36 -0.08 0.30 4.80 4.15 -1.88 -0.14 115.11 122.62 1gn3 h GLN 23 Ca 0.45 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 1gn3 h GLN 23 Cb 0.76 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1gn3 h GLN 23 CO -0.48 -0.05 -0.19 0.82 -1.93 0.00 0.00 178.83 176.99 1gn3 h ILE 24 N -0.08 0.59 -0.89 2.39 2.04 -0.40 -2.28 117.51 118.87 1gn3 h ILE 24 Ca 0.29 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.35 1gn3 h ILE 24 Cb 0.55 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1gn3 h ILE 24 CO -0.73 0.00 0.43 0.78 0.00 0.00 0.00 178.15 178.63 1gn3 h ASN 25 N -0.48 0.44 0.77 1.72 2.35 0.92 0.37 115.58 121.67 1gn3 h ASN 25 Ca -0.03 0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1gn3 h ASN 25 Cb 0.40 0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1gn3 h ASN 25 CO 0.02 0.09 -0.37 -0.08 -1.65 0.00 0.00 177.43 175.45 1gn3 h GLU 26 N 0.50 -1.00 -0.58 0.81 4.81 -0.91 0.18 114.58 118.40 1gn3 h GLU 26 Ca 0.53 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.95 1gn3 h GLU 26 Cb 0.93 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.43 1gn3 h GLU 26 CO -0.46 -0.66 -0.04 -0.07 -0.73 0.00 0.00 179.01 177.04 1gn3 h LEU 27 N -1.07 -0.34 0.63 1.64 3.38 -0.79 0.49 115.31 119.24 1gn3 h LEU 27 Ca -0.11 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gn3 h LEU 27 Cb 0.79 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1gn3 h LEU 27 CO 0.17 -0.13 -0.46 -0.74 0.09 0.00 0.00 178.44 177.37 1gn3 h HIS 28 N 0.08 -1.26 0.02 1.13 2.76 -0.22 0.64 115.15 118.30 1gn3 h HIS 28 Ca 0.30 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1gn3 h HIS 28 Cb 0.47 0.47 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1gn3 h HIS 28 CO -0.39 -0.66 -0.01 1.25 -1.30 0.00 0.00 177.93 176.82 1gn3 h HIS 29 N -1.05 -0.03 0.00 5.26 -0.00 -0.34 0.46 115.15 119.46 1gn3 h HIS 29 Ca -0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1gn3 h HIS 29 Cb 0.87 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1gn3 h HIS 29 CO -0.15 -0.02 -0.07 0.66 -0.00 0.00 0.00 177.93 178.35 1gn3 h SER 30 N -0.03 0.00 0.00 3.26 4.64 -0.14 -2.26 113.55 119.03 1gn3 h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gn3 h SER 30 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1gn3 h SER 30 CO 0.00 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1gn3 n LYS 31 N -3.62 0.00 -0.03 4.77 4.76 0.22 -4.43 118.16 119.84 1gn3 n LYS 31 Ca -0.02 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 1gn3 n LYS 31 Cb 0.18 -0.17 -0.03 0.00 -1.84 0.00 0.00 35.03 33.17 1gn3 n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1gn3 h HIS 32 N 0.00 -0.11 0.55 2.13 3.86 -0.71 -1.48 115.15 119.38 1gn3 h HIS 32 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1gn3 h HIS 32 Cb 0.00 0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.55 1gn3 h HIS 32 CO 0.00 -0.09 -0.26 1.25 0.86 0.00 0.00 177.93 179.69 1gn3 h HIS 33 N -0.02 -0.68 -0.53 2.45 -0.00 -0.02 -2.39 115.15 113.97 1gn3 h HIS 33 Ca 0.08 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.58 1gn3 h HIS 33 Cb 0.14 0.22 -0.10 0.00 -0.00 0.00 0.00 27.41 27.68 1gn3 h HIS 33 CO -0.20 -0.40 0.01 0.00 -0.00 0.00 0.00 177.93 177.34 1gn3 n ALA 34 N -2.44 0.27 0.12 5.26 0.00 -0.86 0.40 120.51 123.27 1gn3 n ALA 34 Ca -0.12 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1gn3 n ALA 34 Cb 0.31 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1gn3 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1gn3 h THR 35 N 0.00 0.81 -0.83 0.00 2.02 -0.76 -2.69 112.91 111.45 1gn3 h THR 35 Ca 0.32 -0.72 0.14 0.00 0.77 0.00 0.00 66.41 66.92 1gn3 h THR 35 Cb 0.67 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1gn3 h THR 35 CO -0.50 0.15 0.54 1.88 0.37 0.00 0.00 175.52 177.96 1gn3 h TYR 36 N -0.71 0.70 -0.32 3.16 0.05 0.21 0.41 116.97 120.47 1gn3 h TYR 36 Ca -0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1gn3 h TYR 36 Cb 0.49 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1gn3 h TYR 36 CO 0.04 0.27 0.11 0.28 -1.05 0.00 0.00 178.16 177.81 1gn3 h VAL 37 N 0.60 1.13 0.20 -2.88 2.07 -1.00 0.84 116.25 117.22 1gn3 h VAL 37 Ca 0.41 -0.43 -0.34 0.00 0.82 0.00 0.00 66.70 67.16 1gn3 h VAL 37 Cb 0.73 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1gn3 h VAL 37 CO -0.17 0.16 -1.60 0.50 0.02 0.00 0.00 177.57 176.48 1gn3 h LYS 38 N 0.45 0.42 -0.57 1.57 3.64 0.03 -2.75 116.57 119.35 1gn3 h LYS 38 Ca 0.11 -0.72 0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1gn3 h LYS 38 Cb 0.12 0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1gn3 h LYS 38 CO -0.01 1.33 0.31 0.78 -2.27 0.00 0.00 179.45 179.59 1gn3 h GLY 39 N 0.71 0.82 -0.29 5.01 0.00 -0.64 0.52 103.07 109.19 1gn3 h GLY 39 Ca -0.29 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1gn3 h GLY 39 CO 0.21 0.14 -0.33 0.00 0.00 0.00 0.00 176.54 176.57 1gn3 h ALA 40 N 1.30 -0.55 -0.85 3.60 0.00 -0.89 0.65 119.26 122.52 1gn3 h ALA 40 Ca 0.25 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1gn3 h ALA 40 Cb 0.14 0.99 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1gn3 h ALA 40 CO -0.16 -0.71 0.56 -0.91 0.00 0.00 0.00 179.25 178.03 1gn3 h ASN 41 N -0.20 0.47 0.41 0.00 2.35 -1.09 -2.34 115.58 115.17 1gn3 h ASN 41 Ca 0.05 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1gn3 h ASN 41 Cb 0.33 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1gn3 h ASN 41 CO -0.38 0.22 -0.19 0.44 -1.65 0.00 0.00 177.43 175.87 1gn3 h ASP 42 N 0.49 -0.46 -1.01 5.81 3.45 0.53 -3.05 116.42 122.17 1gn3 h ASP 42 Ca 0.43 0.02 0.35 0.00 0.43 0.00 0.00 57.03 58.26 1gn3 h ASP 42 Cb 0.93 0.12 -0.16 0.00 -0.56 0.00 0.00 39.33 39.67 1gn3 h ASP 42 CO -0.17 -0.15 0.57 0.00 -1.57 0.00 0.00 179.24 177.92 1gn3 h ALA 43 N -1.40 2.03 -0.22 3.45 0.00 -0.52 0.39 119.26 122.99 1gn3 h ALA 43 Ca -0.06 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1gn3 h ALA 43 Cb 0.42 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gn3 h ALA 43 CO 0.09 -0.69 -0.03 0.28 0.00 0.00 0.00 179.25 178.90 1gn3 h VAL 44 N 0.23 0.81 -0.62 0.00 2.07 -1.42 -1.68 116.25 115.64 1gn3 h VAL 44 Ca 0.77 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 68.36 1gn3 h VAL 44 Cb 1.85 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 1gn3 h VAL 44 CO -0.65 0.01 0.27 0.00 0.02 0.00 0.00 177.57 177.22 1gn3 h ALA 45 N 1.21 0.82 -0.39 1.67 0.00 -0.18 -1.80 119.26 120.58 1gn3 h ALA 45 Ca 0.11 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1gn3 h ALA 45 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gn3 h ALA 45 CO -0.20 -0.13 -0.31 0.87 0.00 0.00 0.00 179.25 179.48 1gn3 h LYS 46 N 0.48 0.90 -0.60 0.00 1.79 -0.78 -2.18 116.57 116.18 1gn3 h LYS 46 Ca 0.30 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1gn3 h LYS 46 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1gn3 h LYS 46 CO -0.27 1.09 0.40 -0.07 -1.08 0.00 0.00 179.45 179.52 1gn3 h LEU 47 N 0.72 0.70 -0.48 2.94 3.38 -0.58 0.36 115.31 122.34 1gn3 h LEU 47 Ca 0.07 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1gn3 h LEU 47 Cb 0.89 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1gn3 h LEU 47 CO 0.08 0.51 0.21 -0.08 0.09 0.00 0.00 178.44 179.25 1gn3 h GLU 48 N 0.82 0.41 -0.12 1.13 4.81 -0.97 -1.30 114.58 119.35 1gn3 h GLU 48 Ca 0.22 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 1gn3 h GLU 48 Cb -0.09 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1gn3 h GLU 48 CO -0.05 0.27 -0.72 1.49 -0.73 0.00 0.00 179.01 179.27 1gn3 h GLU 49 N 0.42 0.55 0.14 1.92 4.81 -0.57 -1.72 114.58 120.14 1gn3 h GLU 49 Ca 0.22 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1gn3 h GLU 49 Cb 0.17 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1gn3 h GLU 49 CO -0.18 1.06 -0.09 0.00 -0.73 0.00 0.00 179.01 179.07 1gn3 h ALA 50 N 0.82 -0.22 -0.56 2.92 0.00 0.22 0.76 119.26 123.21 1gn3 h ALA 50 Ca -0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1gn3 h ALA 50 Cb 1.31 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1gn3 h ALA 50 CO 0.13 -0.63 0.12 0.00 0.00 0.00 0.00 179.25 178.88 1gn3 h ARG 51 N -0.23 0.87 0.00 0.00 3.08 -1.32 0.60 114.38 117.38 1gn3 h ARG 51 Ca -0.01 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1gn3 h ARG 51 Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1gn3 h ARG 51 CO 0.01 0.79 -0.13 0.00 -1.07 0.00 0.00 179.97 179.58 1gn3 h ALA 52 N 1.30 1.11 -0.41 0.04 0.00 -0.48 -1.65 119.26 119.16 1gn3 h ALA 52 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gn3 h ALA 52 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1gn3 h ALA 52 CO 0.00 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1gn3 n LYS 53 N -3.40 2.52 -4.23 0.00 5.02 0.18 -4.95 118.16 113.29 1gn3 n LYS 53 Ca -0.01 -2.13 -0.37 0.00 -2.02 0.00 0.00 58.31 53.78 1gn3 n LYS 53 Cb 0.31 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1gn3 n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1gn3 n GLU 54 N 0.95 -2.39 -3.96 1.97 1.02 0.20 -4.91 120.64 113.52 1gn3 n GLU 54 Ca 0.15 0.29 -0.31 0.00 -0.02 0.00 0.00 57.16 57.28 1gn3 n GLU 54 Cb 0.48 -4.97 -0.15 0.00 -0.02 0.00 0.00 31.44 26.78 1gn3 n GLU 54 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1gn3 s ASP 55 N -3.20 4.56 -0.55 1.62 2.15 -0.51 -4.99 116.67 115.75 1gn3 s ASP 55 Ca 0.74 -2.20 0.02 0.00 0.43 0.00 0.00 52.55 51.53 1gn3 s ASP 55 Cb -0.41 -1.49 0.44 0.00 -0.30 0.00 0.00 42.92 41.15 1gn3 s ASP 55 CO 0.91 -0.36 1.68 1.41 -0.17 0.00 0.00 175.17 178.63 1gn3 n HIS 56 N 4.17 3.07 -0.20 -5.34 8.25 -1.26 -4.62 115.22 119.29 1gn3 n HIS 56 Ca 0.03 -2.69 -0.03 0.00 -0.26 0.00 0.00 57.72 54.77 1gn3 n HIS 56 Cb 0.40 -0.93 0.16 0.00 1.12 0.00 0.00 29.99 30.75 1gn3 n HIS 56 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1gn3 h SER 57 N 2.26 0.90 -0.54 0.41 4.64 -1.97 -2.68 113.55 116.57 1gn3 h SER 57 Ca 0.50 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.59 1gn3 h SER 57 Cb 0.93 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 1gn3 h SER 57 CO 1.24 0.80 0.13 0.00 -0.87 0.00 0.00 176.83 178.13 1gn3 n ALA 58 N -2.45 3.95 -0.32 5.18 0.00 -1.26 -4.59 120.51 121.02 1gn3 n ALA 58 Ca 0.06 -1.71 0.18 0.00 0.00 0.00 0.00 53.44 51.96 1gn3 n ALA 58 Cb 0.18 -1.17 0.38 0.00 0.00 0.00 0.00 19.45 18.84 1gn3 n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1gn3 h ILE 59 N 2.59 0.38 -0.92 0.00 6.09 -1.81 0.19 117.51 124.02 1gn3 h ILE 59 Ca 0.13 -0.12 0.06 0.00 -1.37 0.00 0.00 64.86 63.56 1gn3 h ILE 59 Cb 1.88 -0.01 -0.06 0.00 0.47 0.00 0.00 36.82 39.10 1gn3 h ILE 59 CO 0.51 0.06 0.58 0.25 -3.07 0.00 0.00 178.15 176.49 1gn3 h LEU 60 N 0.35 0.93 -0.13 2.19 6.46 -1.86 -0.82 115.31 122.43 1gn3 h LEU 60 Ca 0.64 0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 58.19 1gn3 h LEU 60 Cb 1.33 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1gn3 h LEU 60 CO -0.58 0.59 -0.99 0.25 -0.62 0.00 0.00 178.44 177.09 1gn3 h LEU 61 N 1.06 0.26 -0.54 2.25 5.85 -1.04 -2.56 115.31 120.60 1gn3 h LEU 61 Ca 0.40 -0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 1gn3 h LEU 61 Cb 0.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1gn3 h LEU 61 CO -0.17 1.10 -0.61 0.78 -0.34 0.00 0.00 178.44 179.20 1gn3 h ASN 62 N 0.08 0.45 0.84 1.25 -0.26 -0.29 -1.46 115.58 116.20 1gn3 h ASN 62 Ca -0.06 -0.26 -0.13 0.00 -0.56 0.00 0.00 56.30 55.28 1gn3 h ASN 62 Cb 1.67 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.78 1gn3 h ASN 62 CO 0.15 0.96 -0.63 -0.33 -1.06 0.00 0.00 177.43 176.51 1gn3 h GLU 63 N 0.30 0.00 0.04 0.81 4.39 -1.27 0.11 114.58 118.96 1gn3 h GLU 63 Ca -0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1gn3 h GLU 63 Cb 1.15 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1gn3 h GLU 63 CO 0.10 0.63 -1.07 -0.22 -1.16 0.00 0.00 179.01 177.30 1gn3 h LYS 64 N 0.00 0.50 -0.00 2.33 3.64 -1.29 -0.89 116.57 120.86 1gn3 h LYS 64 Ca -0.01 -0.60 -0.23 0.00 -1.27 0.00 0.00 60.65 58.55 1gn3 h LYS 64 Cb 1.22 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1gn3 h LYS 64 CO 0.08 1.23 -0.95 -0.91 -2.27 0.00 0.00 179.45 176.63 1gn3 h ASN 65 N 0.25 0.57 -0.19 4.20 2.35 -1.24 -1.14 115.58 120.40 1gn3 h ASN 65 Ca -0.12 -0.46 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 1gn3 h ASN 65 Cb 1.73 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.91 1gn3 h ASN 65 CO 0.19 1.26 -0.02 0.25 -1.65 0.00 0.00 177.43 177.46 1gn3 h LEU 66 N 0.25 0.44 0.36 1.61 5.85 -0.79 -1.89 115.31 121.14 1gn3 h LEU 66 Ca -0.08 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1gn3 h LEU 66 Cb 1.58 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1gn3 h LEU 66 CO 0.17 0.52 -0.17 0.00 -0.34 0.00 0.00 178.44 178.61 1gn3 h ALA 67 N 1.53 -0.49 -0.83 1.25 0.00 -1.01 -2.54 119.26 117.19 1gn3 h ALA 67 Ca 0.10 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1gn3 h ALA 67 Cb 0.33 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1gn3 h ALA 67 CO 0.01 -0.57 0.47 0.35 0.00 0.00 0.00 179.25 179.51 1gn3 h PHE 68 N -0.89 0.85 0.09 0.00 3.57 -1.16 -1.22 116.94 118.17 1gn3 h PHE 68 Ca -0.05 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.18 1gn3 h PHE 68 Cb 0.54 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1gn3 h PHE 68 CO 0.03 0.33 -1.54 -0.91 -2.23 0.00 0.00 178.31 173.99 1gn3 h ASN 69 N 0.77 0.30 -0.22 0.41 2.35 -1.40 -1.65 115.58 116.14 1gn3 h ASN 69 Ca 0.41 -0.44 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1gn3 h ASN 69 Cb 0.40 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1gn3 h ASN 69 CO -0.26 1.37 0.02 0.25 -1.65 0.00 0.00 177.43 177.16 1gn3 h LEU 70 N 0.05 0.44 0.03 1.61 5.85 -1.36 0.36 115.31 122.30 1gn3 h LEU 70 Ca -0.24 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1gn3 h LEU 70 Cb 1.99 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1gn3 h LEU 70 CO 0.14 0.50 -0.02 0.00 -0.34 0.00 0.00 178.44 178.72 1gn3 h ALA 71 N 1.57 -0.04 -0.31 1.25 0.00 -1.29 0.70 119.26 121.13 1gn3 h ALA 71 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1gn3 h ALA 71 Cb 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1gn3 h ALA 71 CO 0.01 -0.30 0.03 0.78 0.00 0.00 0.00 179.25 179.77 1gn3 h GLY 72 N -0.49 0.49 0.91 0.00 0.00 -0.88 0.11 103.07 103.21 1gn3 h GLY 72 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1gn3 h GLY 72 CO 0.01 0.25 -0.12 0.84 0.00 0.00 0.00 176.54 177.52 1gn3 h HIS 73 N 0.44 -0.30 -0.13 5.60 6.17 -0.07 0.13 115.15 126.99 1gn3 h HIS 73 Ca 0.10 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.20 1gn3 h HIS 73 Cb 0.24 0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.25 1gn3 h HIS 73 CO 0.01 -0.12 -0.02 0.28 0.71 0.00 0.00 177.93 178.79 1gn3 h VAL 74 N -0.42 0.89 -0.51 5.26 2.07 1.00 -2.17 116.25 122.36 1gn3 h VAL 74 Ca -0.03 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1gn3 h VAL 74 Cb 0.32 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1gn3 h VAL 74 CO 0.06 0.00 0.23 0.78 0.02 0.00 0.00 177.57 178.65 1gn3 h ASN 75 N 0.01 0.69 0.19 0.57 2.35 -0.68 -2.74 115.58 115.97 1gn3 h ASN 75 Ca 0.06 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1gn3 h ASN 75 Cb 0.09 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1gn3 h ASN 75 CO -0.12 0.65 -0.15 0.45 -1.65 0.00 0.00 177.43 176.61 1gn3 h HIS 76 N 0.69 0.00 0.70 1.19 3.86 -0.57 0.70 115.15 121.72 1gn3 h HIS 76 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1gn3 h HIS 76 Cb 0.16 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.64 1gn3 h HIS 76 CO 0.00 0.15 -0.34 1.15 0.86 0.00 0.00 177.93 179.75 1gn3 h THR 77 N 0.00 0.28 -0.32 2.45 2.02 -1.09 -2.31 112.91 113.94 1gn3 h THR 77 Ca -0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1gn3 h THR 77 Cb 0.28 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1gn3 h THR 77 CO 0.02 0.01 0.08 0.40 0.37 0.00 0.00 175.52 176.40 1gn3 h ILE 78 N -1.00 1.15 -0.71 3.11 2.04 -1.35 -1.73 117.51 119.03 1gn3 h ILE 78 Ca -0.10 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1gn3 h ILE 78 Cb 0.74 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1gn3 h ILE 78 CO 0.16 0.19 0.41 -0.25 0.00 0.00 0.00 178.15 178.66 1gn3 h TRP 79 N 0.46 0.76 0.20 1.37 2.91 -0.67 0.56 115.95 121.54 1gn3 h TRP 79 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1gn3 h TRP 79 Cb 0.17 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1gn3 h TRP 79 CO 0.01 0.37 -0.18 -1.49 -1.03 0.00 0.00 178.44 176.12 1gn3 h TRP 80 N 0.76 -0.46 -0.19 2.65 -0.00 -0.74 -2.30 115.95 115.67 1gn3 h TRP 80 Ca 0.31 0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.23 1gn3 h TRP 80 Cb 0.17 0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 1gn3 h TRP 80 CO -0.06 -0.27 0.13 0.87 -0.00 0.00 0.00 178.44 179.10 1gn3 h LYS 81 N -0.40 0.12 0.00 0.49 1.79 -1.38 0.16 116.57 117.35 1gn3 h LYS 81 Ca -0.00 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1gn3 h LYS 81 Cb 0.37 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1gn3 h LYS 81 CO -0.03 0.08 -0.33 -0.91 -1.08 0.00 0.00 179.45 177.18 1gn3 h ASN 82 N 0.13 0.00 -3.92 0.86 -0.26 -0.54 -3.44 115.58 108.41 1gn3 h ASN 82 Ca 0.08 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.34 1gn3 h ASN 82 Cb 0.16 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1gn3 h ASN 82 CO -0.01 0.33 0.23 -0.76 -1.06 0.00 0.00 177.43 176.16 1gn3 s LEU 83 N -6.67 3.83 -0.27 1.61 1.43 0.55 0.31 118.68 119.46 1gn3 s LEU 83 Ca 0.02 1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 1gn3 s LEU 83 Cb 0.09 -4.27 0.10 0.00 0.03 0.00 0.00 46.19 42.14 1gn3 s LEU 83 CO 0.69 -0.42 0.91 -0.55 0.23 0.00 0.00 176.35 177.21 1gn3 s SER 84 N -2.80 -0.57 0.14 2.29 0.15 0.17 -4.64 113.70 108.43 1gn3 s SER 84 Ca 0.56 1.09 -0.11 0.00 0.70 0.00 0.00 55.95 58.19 1gn3 s SER 84 Cb -0.10 1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1gn3 s SER 84 CO 0.26 -0.19 1.46 1.55 1.20 0.00 0.00 173.24 177.51 1gn3 h PRO 85 N 4.48 0.92 -0.92 5.44 0.14 -1.85 -2.22 132.00 137.99 1gn3 h PRO 85 Ca -0.28 -0.51 -0.12 0.00 0.14 0.00 0.00 66.00 65.23 1gn3 h PRO 85 Cb 1.17 0.03 -0.07 0.00 0.14 0.00 0.00 31.00 32.27 1gn3 h PRO 85 CO 0.09 1.16 0.15 0.09 0.14 0.00 0.00 178.00 179.63 1gn3 n ASN 86 N -4.04 3.15 -3.10 1.44 3.02 -1.26 -4.88 115.26 109.58 1gn3 n ASN 86 Ca -0.03 -2.53 -0.13 0.00 -0.03 0.00 0.00 54.58 51.86 1gn3 n ASN 86 Cb 0.57 -0.61 0.08 0.00 -0.61 0.00 0.00 39.78 39.21 1gn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gn3 n GLY 87 N 0.02 -0.30 0.00 7.41 0.00 -0.84 -5.02 105.19 106.46 1gn3 n GLY 87 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1gn3 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gn3 n GLY 88 N 0.94 0.02 7.00 -0.02 0.00 0.22 -4.69 105.19 108.66 1gn3 n GLY 88 Ca 0.08 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1gn3 n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gn3 n ASP 89 N 0.00 0.00 -4.40 1.61 9.92 -1.26 -4.76 116.55 117.66 1gn3 n ASP 89 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1gn3 n ASP 89 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1gn3 n ASP 89 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1gn3 s LYS 90 N 0.00 1.54 0.72 -1.24 1.02 -1.26 -5.01 119.74 115.50 1gn3 s LYS 90 Ca 0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.05 1gn3 s LYS 90 Cb 0.00 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 1gn3 s LYS 90 CO 0.00 -0.19 1.07 -1.25 -0.92 0.00 0.00 175.35 174.06 1gn3 s PRO 91 N -3.91 2.72 0.39 -1.68 0.04 -1.26 -4.98 135.00 126.31 1gn3 s PRO 91 Ca 0.35 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.35 1gn3 s PRO 91 Cb 0.08 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1gn3 s PRO 91 CO 0.14 -1.25 0.08 0.95 0.04 0.00 0.00 177.00 176.96 1gn3 s THR 92 N -3.05 0.94 0.00 1.26 -4.23 -1.26 -4.58 115.64 104.72 1gn3 s THR 92 Ca 0.59 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1gn3 s THR 92 Cb -0.14 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1gn3 s THR 92 CO 0.55 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1gn3 n GLY 93 N -0.87 3.31 0.28 3.99 0.00 -1.26 -2.86 105.19 107.79 1gn3 n GLY 93 Ca -0.06 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1gn3 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gn3 h GLU 94 N 0.00 -0.51 -0.10 1.61 5.08 -1.99 -1.38 114.58 117.30 1gn3 h GLU 94 Ca 0.00 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1gn3 h GLU 94 Cb 0.00 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1gn3 h GLU 94 CO 0.00 -0.34 0.01 1.25 -1.00 0.00 0.00 179.01 178.93 1gn3 h LEU 95 N -0.53 -0.02 -0.89 1.33 5.85 -1.90 -0.70 115.31 118.46 1gn3 h LEU 95 Ca -0.01 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1gn3 h LEU 95 Cb 0.48 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1gn3 h LEU 95 CO -0.04 0.01 0.53 0.00 -0.34 0.00 0.00 178.44 178.59 1gn3 h ALA 96 N 1.08 1.28 -0.38 1.25 0.00 -1.46 0.33 119.26 121.36 1gn3 h ALA 96 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1gn3 h ALA 96 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gn3 h ALA 96 CO -0.07 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.43 1gn3 h ALA 97 N 1.48 0.50 -0.74 0.00 0.00 -0.83 -2.32 119.26 117.35 1gn3 h ALA 97 Ca 0.43 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1gn3 h ALA 97 Cb 0.38 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 1gn3 h ALA 97 CO -0.25 0.18 -0.04 0.00 0.00 0.00 0.00 179.25 179.14 1gn3 h ALA 98 N 0.94 0.70 0.52 0.00 0.00 0.49 -0.03 119.26 121.86 1gn3 h ALA 98 Ca 0.12 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1gn3 h ALA 98 Cb 0.31 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1gn3 h ALA 98 CO 0.00 -0.42 -0.25 0.82 0.00 0.00 0.00 179.25 179.40 1gn3 h ILE 99 N 0.08 0.48 -0.51 0.00 2.04 -0.77 0.19 117.51 119.01 1gn3 h ILE 99 Ca 0.39 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 1gn3 h ILE 99 Cb 0.67 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1gn3 h ILE 99 CO -0.67 0.03 0.10 0.00 0.00 0.00 0.00 178.15 177.61 1gn3 h ALA 100 N -0.34 1.22 0.00 1.87 0.00 -0.82 0.92 119.26 122.11 1gn3 h ALA 100 Ca -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1gn3 h ALA 100 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1gn3 h ALA 100 CO 0.12 0.53 -0.23 0.22 0.00 0.00 0.00 179.25 179.89 1gn3 h ASP 101 N 0.76 0.00 0.80 0.00 3.58 -0.90 0.51 116.42 121.17 1gn3 h ASP 101 Ca 0.17 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.37 1gn3 h ASP 101 Cb 0.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1gn3 h ASP 101 CO 0.00 0.23 -1.24 0.00 -2.88 0.00 0.00 179.24 175.35 1gn3 h ALA 102 N 1.77 0.43 0.00 -0.78 0.00 0.15 -3.36 119.26 117.46 1gn3 h ALA 102 Ca -0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 54.91 53.79 1gn3 h ALA 102 Cb 1.00 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1gn3 h ALA 102 CO 0.03 1.30 -0.58 1.19 0.00 0.00 0.00 179.25 181.19 1gn3 n PHE 103 N -3.30 0.00 0.00 0.00 3.72 0.30 -4.98 117.46 113.20 1gn3 n PHE 103 Ca -0.06 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 1gn3 n PHE 103 Cb 0.98 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1gn3 n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gn3 n GLY 104 N -0.28 1.43 3.58 1.37 0.00 0.18 -4.08 105.19 107.39 1gn3 n GLY 104 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1gn3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gn3 s SER 105 N 0.00 0.36 0.35 1.61 1.04 -1.25 -4.60 113.70 111.20 1gn3 s SER 105 Ca 0.00 -1.20 0.16 0.00 0.48 0.00 0.00 55.95 55.39 1gn3 s SER 105 Cb 0.00 0.66 0.59 0.00 0.10 0.00 0.00 66.02 67.37 1gn3 s SER 105 CO 0.00 -1.29 1.70 0.15 0.98 0.00 0.00 173.24 174.78 1gn3 h PHE 106 N 2.16 0.00 0.00 5.02 3.57 -1.88 -2.03 116.94 123.78 1gn3 h PHE 106 Ca -0.28 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.11 1gn3 h PHE 106 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1gn3 h PHE 106 CO 1.01 0.44 -0.51 -0.44 -2.23 0.00 0.00 178.31 176.59 1gn3 h ASP 107 N 0.00 0.00 -0.30 0.41 3.32 -1.94 -0.29 116.42 117.62 1gn3 h ASP 107 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1gn3 h ASP 107 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1gn3 h ASP 107 CO 0.06 0.51 -0.29 0.11 -1.72 0.00 0.00 179.24 177.91 1gn3 h LYS 108 N 0.00 0.81 -0.17 3.56 1.57 -1.62 -2.52 116.57 118.20 1gn3 h LYS 108 Ca -0.01 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 1gn3 h LYS 108 Cb 1.07 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1gn3 h LYS 108 CO 0.07 0.99 -0.24 0.35 -0.57 0.00 0.00 179.45 180.05 1gn3 h PHE 109 N 0.69 0.57 -0.16 -1.35 3.57 -1.26 -2.42 116.94 116.57 1gn3 h PHE 109 Ca 0.08 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1gn3 h PHE 109 Cb 0.82 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1gn3 h PHE 109 CO 0.04 0.87 -0.43 -0.09 -2.23 0.00 0.00 178.31 176.47 1gn3 h ARG 110 N 0.11 -0.47 -0.64 1.11 2.43 -0.98 0.23 114.38 116.17 1gn3 h ARG 110 Ca 0.02 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1gn3 h ARG 110 Cb 0.80 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.38 1gn3 h ARG 110 CO 0.06 -0.31 -0.43 0.00 -1.51 0.00 0.00 179.97 177.78 1gn3 h ALA 111 N 0.11 -0.46 -0.59 2.80 0.00 -1.46 0.88 119.26 120.55 1gn3 h ALA 111 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gn3 h ALA 111 Cb 0.63 1.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1gn3 h ALA 111 CO -0.42 -0.74 0.34 0.37 0.00 0.00 0.00 179.25 178.80 1gn3 h GLN 112 N -0.06 0.80 -0.36 0.00 4.15 -1.17 -0.40 115.11 118.06 1gn3 h GLN 112 Ca 0.10 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1gn3 h GLN 112 Cb 0.33 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1gn3 h GLN 112 CO -0.63 0.57 -0.16 0.35 -1.93 0.00 0.00 178.83 177.02 1gn3 h PHE 113 N 0.81 0.74 -0.33 3.99 3.57 0.16 0.72 116.94 126.60 1gn3 h PHE 113 Ca 0.21 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1gn3 h PHE 113 Cb -0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1gn3 h PHE 113 CO 0.00 0.79 -0.17 1.25 -2.23 0.00 0.00 178.31 177.95 1gn3 h HIS 114 N 0.60 0.80 -0.46 0.41 2.76 0.15 -2.35 115.15 117.06 1gn3 h HIS 114 Ca 0.10 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 1gn3 h HIS 114 Cb 0.61 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1gn3 h HIS 114 CO 0.03 0.91 0.19 0.00 -1.30 0.00 0.00 177.93 177.75 1gn3 h ALA 115 N 0.77 0.59 -0.25 5.26 0.00 -0.74 -0.28 119.26 124.61 1gn3 h ALA 115 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gn3 h ALA 115 Cb 0.71 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1gn3 h ALA 115 CO 0.05 0.20 -0.44 0.00 0.00 0.00 0.00 179.25 179.06 1gn3 h ALA 116 N 1.03 -0.72 0.05 0.00 0.00 -0.80 -2.56 119.26 116.26 1gn3 h ALA 116 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gn3 h ALA 116 Cb 0.19 1.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1gn3 h ALA 116 CO -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 179.25 178.30 1gn3 h ALA 117 N -0.39 -0.07 0.00 0.00 0.00 -1.30 -3.18 119.26 114.31 1gn3 h ALA 117 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gn3 h ALA 117 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1gn3 h ALA 117 CO -0.43 -0.54 0.00 0.25 0.00 0.00 0.00 179.25 178.53 1gn3 n THR 118 N -5.12 1.09 -1.24 0.00 -2.24 -0.13 -3.20 114.28 103.44 1gn3 n THR 118 Ca -0.08 0.29 0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1gn3 n THR 118 Cb 0.06 -1.09 0.22 0.00 -2.10 0.00 0.00 70.33 67.41 1gn3 n THR 118 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gn3 n THR 119 N -1.62 2.40 -2.20 4.28 -2.24 -0.98 -5.02 114.28 108.91 1gn3 n THR 119 Ca 0.03 -2.35 -0.40 0.00 -2.27 0.00 0.00 64.05 59.05 1gn3 n THR 119 Cb 0.16 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1gn3 n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gn3 s VAL 120 N -3.05 2.91 -1.00 2.28 1.01 -1.20 -4.89 120.40 116.46 1gn3 s VAL 120 Ca 0.43 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 1gn3 s VAL 120 Cb 0.37 -3.55 0.20 0.00 0.00 0.00 0.00 36.38 33.40 1gn3 s VAL 120 CO 0.04 0.19 1.08 -1.10 0.00 0.00 0.00 175.10 175.31 1gn3 s GLN 121 N -1.84 3.84 0.00 2.72 -0.21 -1.26 -4.87 119.66 118.04 1gn3 s GLN 121 Ca 0.50 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 53.40 1gn3 s GLN 121 Cb -0.37 -4.72 0.00 0.00 1.00 0.00 0.00 33.01 28.92 1gn3 s GLN 121 CO 0.48 -1.51 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 1gn3 n GLY 122 N 4.11 0.28 3.78 3.09 0.00 -1.26 -5.03 105.19 110.16 1gn3 n GLY 122 Ca 0.24 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1gn3 n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gn3 s SER 123 N -4.00 3.33 0.00 1.61 0.01 -1.26 -4.88 113.70 108.50 1gn3 s SER 123 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1gn3 s SER 123 Cb 0.00 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1gn3 s SER 123 CO 0.00 -2.66 0.00 0.61 0.41 0.00 0.00 173.24 171.60 1gn3 n GLY 124 N -2.15 -1.74 3.40 3.44 0.00 -1.23 -3.03 105.19 103.87 1gn3 n GLY 124 Ca 0.07 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1gn3 n GLY 124 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gn3 s TRP 125 N -1.94 0.06 -0.20 1.61 0.52 0.31 -1.38 118.94 117.92 1gn3 s TRP 125 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 56.10 55.66 1gn3 s TRP 125 Cb 0.00 0.19 -0.03 0.00 -1.15 0.00 0.00 33.47 32.48 1gn3 s TRP 125 CO 0.00 -0.79 0.01 0.00 0.02 0.00 0.00 176.95 176.19 1gn3 s ALA 126 N -3.89 3.09 -0.02 0.98 0.00 -0.96 -0.01 121.76 120.94 1gn3 s ALA 126 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1gn3 s ALA 126 Cb 0.01 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1gn3 s ALA 126 CO -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 175.76 175.56 1gn3 s ALA 127 N 0.89 0.72 -0.42 0.00 0.00 -0.21 -2.59 121.76 120.14 1gn3 s ALA 127 Ca 0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 1gn3 s ALA 127 Cb -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1gn3 s ALA 127 CO 0.02 0.11 0.49 -1.17 0.00 0.00 0.00 175.76 175.20 1gn3 s LEU 128 N 0.25 4.74 0.21 0.00 2.96 -0.88 0.54 118.68 126.50 1gn3 s LEU 128 Ca -0.03 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1gn3 s LEU 128 Cb -0.08 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1gn3 s LEU 128 CO 0.00 -0.62 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.52 1gn3 s GLY 129 N 1.85 1.45 -0.16 7.98 0.00 0.20 -1.20 107.32 117.43 1gn3 s GLY 129 Ca 0.15 -1.70 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 1gn3 s GLY 129 CO 0.15 -1.70 0.08 0.86 0.00 0.00 0.00 173.10 172.48 1gn3 s TRP 130 N -3.22 3.32 -0.60 1.90 -0.11 0.16 -0.85 118.94 119.54 1gn3 s TRP 130 Ca 0.24 0.20 -0.23 0.00 1.22 0.00 0.00 56.10 57.53 1gn3 s TRP 130 Cb 0.03 -2.04 0.06 0.00 -1.50 0.00 0.00 33.47 30.02 1gn3 s TRP 130 CO 0.07 0.30 0.92 0.34 -4.62 0.00 0.00 176.95 173.95 1gn3 s ASP 131 N 0.01 6.24 0.49 5.86 2.15 0.38 -2.15 116.67 129.64 1gn3 s ASP 131 Ca 0.07 -0.76 0.33 0.00 0.43 0.00 0.00 52.55 52.61 1gn3 s ASP 131 Cb -0.12 -2.41 1.48 0.00 -0.30 0.00 0.00 42.92 41.57 1gn3 s ASP 131 CO 0.01 -1.30 1.98 0.71 -0.17 0.00 0.00 175.17 176.39 1gn3 h THR 132 N 5.98 0.00 0.75 1.71 1.35 -1.83 0.17 112.91 121.03 1gn3 h THR 132 Ca -0.28 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 1gn3 h THR 132 Cb 1.07 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1gn3 h THR 132 CO 1.12 0.00 -0.36 0.25 -0.25 0.00 0.00 175.52 176.29 1gn3 h LEU 133 N 0.00 -0.85 -3.29 3.87 5.85 -1.91 -3.32 115.31 115.66 1gn3 h LEU 133 Ca 0.00 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1gn3 h LEU 133 Cb 0.33 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1gn3 h LEU 133 CO 0.00 -0.53 -0.09 0.61 -0.34 0.00 0.00 178.44 178.09 1gn3 n GLY 134 N -1.00 4.75 4.03 3.75 0.00 -1.22 -4.95 105.19 110.54 1gn3 n GLY 134 Ca -0.12 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1gn3 n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gn3 n ASN 135 N -1.02 0.21 -4.73 1.61 4.13 0.52 -4.90 115.26 111.07 1gn3 n ASN 135 Ca 0.29 -1.08 -0.24 0.00 1.68 0.00 0.00 54.58 55.23 1gn3 n ASN 135 Cb 0.96 -1.33 -0.07 0.00 -1.54 0.00 0.00 39.78 37.80 1gn3 n ASN 135 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1gn3 s LYS 136 N -6.74 2.24 -0.35 3.52 1.02 -0.66 -4.88 119.74 113.89 1gn3 s LYS 136 Ca 0.06 -1.77 -0.09 0.00 0.02 0.00 0.00 55.97 54.19 1gn3 s LYS 136 Cb -0.03 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1gn3 s LYS 136 CO 0.84 -0.05 0.15 -0.51 -0.92 0.00 0.00 175.35 174.86 1gn3 s LEU 137 N -3.88 4.44 0.28 3.17 1.43 -1.26 0.14 118.68 123.01 1gn3 s LEU 137 Ca 0.40 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1gn3 s LEU 137 Cb 0.02 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1gn3 s LEU 137 CO 0.22 -0.33 0.05 -0.76 0.23 0.00 0.00 176.35 175.76 1gn3 s LEU 138 N 1.50 2.02 -0.11 1.79 1.43 -0.03 -4.93 118.68 120.35 1gn3 s LEU 138 Ca 0.01 -1.33 0.03 0.00 -1.03 0.00 0.00 54.13 51.80 1gn3 s LEU 138 Cb -0.19 -0.23 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 1gn3 s LEU 138 CO 0.05 -0.62 -0.20 -0.63 0.23 0.00 0.00 176.35 175.18 1gn3 s ILE 139 N -3.46 2.38 0.20 -0.59 1.01 -1.26 0.59 121.20 120.07 1gn3 s ILE 139 Ca 0.35 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 60.20 1gn3 s ILE 139 Cb 0.08 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1gn3 s ILE 139 CO 0.13 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 175.08 1gn3 s PHE 140 N 0.33 2.42 -0.41 3.97 0.08 0.19 -4.98 117.98 119.59 1gn3 s PHE 140 Ca -0.16 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.51 1gn3 s PHE 140 Cb -0.17 -1.18 0.08 0.00 -0.57 0.00 0.00 43.02 41.19 1gn3 s PHE 140 CO 0.08 0.53 0.24 -1.14 -0.10 0.00 0.00 175.22 174.82 1gn3 s GLN 141 N -2.83 2.47 -0.03 0.44 0.74 -1.26 -1.04 119.66 118.15 1gn3 s GLN 141 Ca 0.23 -1.53 -0.30 0.00 0.05 0.00 0.00 55.36 53.81 1gn3 s GLN 141 Cb -0.08 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 1gn3 s GLN 141 CO 0.12 -0.97 1.04 0.08 -0.55 0.00 0.00 175.29 175.01 1gn3 s VAL 142 N 1.36 4.68 0.09 1.34 1.01 0.99 -4.75 120.40 125.11 1gn3 s VAL 142 Ca 0.03 1.93 -0.14 0.00 0.00 0.00 0.00 61.98 63.81 1gn3 s VAL 142 Cb -0.23 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1gn3 s VAL 142 CO 0.00 0.09 0.48 -0.31 0.00 0.00 0.00 175.10 175.37 1gn3 s TYR 143 N 1.46 3.65 0.00 5.22 2.02 0.62 -0.53 117.35 129.78 1gn3 s TYR 143 Ca 0.52 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1gn3 s TYR 143 Cb -0.22 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.03 1gn3 s TYR 143 CO 0.24 0.52 0.00 -0.25 -1.57 0.00 0.00 175.55 174.49 1gn3 n ASP 144 N 1.15 0.00 0.00 2.29 8.00 -1.17 -2.59 116.55 124.23 1gn3 n ASP 144 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1gn3 n ASP 144 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1gn3 n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gn3 n GLN 145 N 2.81 3.77 -1.91 -1.24 1.13 -1.26 -3.58 117.38 117.11 1gn3 n GLN 145 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1gn3 n GLN 145 Cb 0.00 -0.61 0.06 0.00 0.11 0.00 0.00 30.24 29.81 1gn3 n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gn3 n GLN 146 N -0.48 1.66 -3.78 -1.09 0.00 -1.19 -4.57 117.38 107.92 1gn3 n GLN 146 Ca 0.00 -3.22 -0.13 0.00 0.00 0.00 0.00 57.00 53.66 1gn3 n GLN 146 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 30.24 28.81 1gn3 n GLN 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1gn3 s THR 147 N -2.86 0.03 0.00 -0.39 2.01 -1.07 -4.95 115.64 108.41 1gn3 s THR 147 Ca 0.36 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1gn3 s THR 147 Cb 0.37 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.39 1gn3 s THR 147 CO -0.06 -0.15 0.00 -3.20 -0.69 0.00 0.00 174.62 170.52 1gn3 n ASN 148 N 2.11 0.00 -3.54 3.53 5.15 -1.26 -0.28 115.26 120.97 1gn3 n ASN 148 Ca -0.17 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.70 1gn3 n ASN 148 Cb 0.57 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.79 1gn3 n ASN 148 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1gn3 s PHE 149 N -2.00 -0.36 0.51 1.20 -0.71 -1.26 -4.49 117.98 110.87 1gn3 s PHE 149 Ca 0.00 0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 55.83 1gn3 s PHE 149 Cb 0.00 0.43 -0.07 0.00 -1.21 0.00 0.00 43.02 42.16 1gn3 s PHE 149 CO 0.00 -0.80 0.96 -1.25 -1.34 0.00 0.00 175.22 172.78 1gn3 s PRO 150 N -3.79 3.88 0.41 1.99 0.04 -1.26 -5.05 135.00 131.22 1gn3 s PRO 150 Ca 0.03 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.67 1gn3 s PRO 150 Cb 0.00 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1gn3 s PRO 150 CO -0.11 -0.27 1.19 -0.51 0.04 0.00 0.00 177.00 177.34 1gn3 s LEU 151 N -4.16 4.18 0.00 -3.56 1.43 -1.26 -3.51 118.68 111.80 1gn3 s LEU 151 Ca 0.57 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 1gn3 s LEU 151 Cb -0.10 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1gn3 s LEU 151 CO 0.34 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.80 1gn3 n GLY 152 N 0.62 0.70 3.79 -3.19 0.00 -1.26 -5.06 105.19 100.79 1gn3 n GLY 152 Ca 0.05 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1gn3 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gn3 s ILE 153 N -2.00 4.57 -0.32 -0.61 -1.09 -1.23 -4.52 121.20 116.00 1gn3 s ILE 153 Ca 0.00 1.44 -0.15 0.00 -2.23 0.00 0.00 60.65 59.71 1gn3 s ILE 153 Cb 0.00 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1gn3 s ILE 153 CO 0.00 0.54 0.36 -0.69 -1.23 0.00 0.00 174.94 173.92 1gn3 s VAL 154 N -1.11 5.17 0.32 2.92 1.01 -0.91 -4.86 120.40 122.93 1gn3 s VAL 154 Ca 0.32 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1gn3 s VAL 154 Cb -0.21 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1gn3 s VAL 154 CO 0.22 -0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.34 1gn3 s PRO 155 N 2.04 4.46 0.06 2.72 0.04 -1.26 0.38 135.00 143.44 1gn3 s PRO 155 Ca 0.13 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1gn3 s PRO 155 Cb -0.16 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1gn3 s PRO 155 CO 0.11 -0.01 0.00 1.28 0.04 0.00 0.00 177.00 178.43 1gn3 n LEU 156 N 0.89 0.49 -3.96 -3.56 4.77 -0.34 -4.89 117.00 110.39 1gn3 n LEU 156 Ca 0.00 0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 1gn3 n LEU 156 Cb 0.44 -0.13 -0.17 0.00 -2.33 0.00 0.00 43.42 41.23 1gn3 n LEU 156 CO 0.55 -0.63 -0.45 -0.22 -1.33 0.00 0.00 177.39 175.31 1gn3 s LEU 157 N -6.00 1.43 0.28 2.23 2.96 -1.10 -4.76 118.68 113.71 1gn3 s LEU 157 Ca 0.00 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 53.73 1gn3 s LEU 157 Cb 0.00 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1gn3 s LEU 157 CO 0.00 -0.03 0.03 -0.76 -1.32 0.00 0.00 176.35 174.27 1gn3 s LEU 158 N 1.08 3.22 -0.28 -0.68 1.43 -1.26 -2.08 118.68 120.10 1gn3 s LEU 158 Ca -0.07 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1gn3 s LEU 158 Cb -0.14 -1.72 0.13 0.00 0.03 0.00 0.00 46.19 44.49 1gn3 s LEU 158 CO -0.01 -0.07 0.31 -0.22 0.23 0.00 0.00 176.35 176.58 1gn3 s LEU 159 N -3.72 -0.32 -0.02 1.79 2.96 -1.07 -4.91 118.68 113.39 1gn3 s LEU 159 Ca 0.33 -0.60 -0.32 0.00 -0.22 0.00 0.00 54.13 53.32 1gn3 s LEU 159 Cb -0.05 0.60 -0.10 0.00 0.50 0.00 0.00 46.19 47.14 1gn3 s LEU 159 CO 0.21 -0.37 1.94 -0.67 -1.32 0.00 0.00 176.35 176.14 1gn3 n ASP 160 N 5.32 3.84 -0.79 3.68 -0.08 -1.26 -2.27 116.55 124.98 1gn3 n ASP 160 Ca -0.02 0.92 0.07 0.00 -1.51 0.00 0.00 54.79 54.25 1gn3 n ASP 160 Cb 0.47 -1.46 0.21 0.00 2.34 0.00 0.00 41.12 42.68 1gn3 n ASP 160 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1gn3 n MET 161 N 7.19 2.94 -2.20 -0.67 2.81 -0.48 -4.85 117.12 121.87 1gn3 n MET 161 Ca 0.21 -2.46 -0.38 0.00 -1.81 0.00 0.00 57.70 53.26 1gn3 n MET 161 Cb 0.36 -1.57 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 1gn3 n MET 161 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1gn3 s TRP 162 N -1.90 2.94 0.35 2.03 0.52 -1.19 -4.53 118.94 117.17 1gn3 s TRP 162 Ca 0.33 1.50 0.11 0.00 0.02 0.00 0.00 56.10 58.06 1gn3 s TRP 162 Cb 0.23 -3.49 0.87 0.00 -1.15 0.00 0.00 33.47 29.93 1gn3 s TRP 162 CO 0.13 -1.63 1.81 0.93 0.02 0.00 0.00 176.95 178.20 1gn3 h GLU 163 N 2.54 0.61 0.00 4.98 5.08 -1.94 0.97 114.58 126.82 1gn3 h GLU 163 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1gn3 h GLU 163 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1gn3 h GLU 163 CO 0.62 0.41 0.00 -2.39 -1.00 0.00 0.00 179.01 176.65 1gn3 n HIS 164 N -4.65 0.00 1.04 4.33 1.44 -1.26 -1.76 115.22 114.36 1gn3 n HIS 164 Ca 0.22 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.04 1gn3 n HIS 164 Cb 0.62 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.80 1gn3 n HIS 164 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gn3 n ALA 165 N -0.67 3.95 -1.75 1.59 0.00 0.34 -4.67 120.51 119.29 1gn3 n ALA 165 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1gn3 n ALA 165 Cb 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1gn3 n ALA 165 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1gn3 n PHE 166 N -1.05 0.00 0.13 0.00 1.16 -0.72 -4.94 117.46 112.03 1gn3 n PHE 166 Ca 0.07 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.67 1gn3 n PHE 166 Cb 0.36 0.06 0.39 0.00 -1.61 0.00 0.00 39.48 38.68 1gn3 n PHE 166 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1gn3 h TYR 167 N 0.00 0.22 -0.56 2.97 3.20 -1.58 0.30 116.97 121.52 1gn3 h TYR 167 Ca 0.00 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1gn3 h TYR 167 Cb 0.49 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1gn3 h TYR 167 CO 0.00 0.37 0.00 -0.07 -1.64 0.00 0.00 178.16 176.83 1gn3 h LEU 168 N 0.20 0.94 0.00 2.82 4.07 -1.90 -1.27 115.31 120.16 1gn3 h LEU 168 Ca 0.04 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1gn3 h LEU 168 Cb 0.41 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1gn3 h LEU 168 CO 0.03 0.99 -0.24 -0.61 -1.08 0.00 0.00 178.44 177.53 1gn3 h GLN 169 N 0.89 0.00 -0.00 1.13 4.15 -1.87 -3.41 115.11 116.00 1gn3 h GLN 169 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1gn3 h GLN 169 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1gn3 h GLN 169 CO 0.03 0.00 -0.29 0.66 -1.93 0.00 0.00 178.83 177.29 1gn3 n TYR 170 N -3.95 0.00 -1.61 3.99 4.01 0.10 -5.02 117.16 114.68 1gn3 n TYR 170 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1gn3 n TYR 170 Cb 0.12 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1gn3 n TYR 170 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1gn3 n LYS 171 N -1.23 0.00 0.00 -0.72 4.01 -0.48 -0.92 118.16 118.82 1gn3 n LYS 171 Ca 0.09 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.03 1gn3 n LYS 171 Cb 0.33 0.00 0.79 0.00 -0.51 0.00 0.00 35.03 35.63 1gn3 n LYS 171 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1gn3 n ASN 172 N 2.93 0.00 -4.28 4.39 6.94 -1.26 -4.43 115.26 119.55 1gn3 n ASN 172 Ca 0.00 -0.51 -0.44 0.00 -0.02 0.00 0.00 54.58 53.62 1gn3 n ASN 172 Cb 0.00 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 1gn3 n ASN 172 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1gn3 n VAL 173 N -1.15 4.29 0.02 3.53 0.31 -0.09 -4.77 118.33 120.47 1gn3 n VAL 173 Ca 0.18 -4.63 0.03 0.00 -0.01 0.00 0.00 64.34 59.90 1gn3 n VAL 173 Cb 0.16 -2.43 0.40 0.00 -0.91 0.00 0.00 33.84 31.06 1gn3 n VAL 173 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1gn3 h LYS 174 N 6.70 0.48 -0.93 5.55 2.10 -1.83 -2.37 116.57 126.27 1gn3 h LYS 174 Ca 0.34 -0.06 0.25 0.00 -2.00 0.00 0.00 60.65 59.19 1gn3 h LYS 174 Cb 0.80 -0.09 -0.14 0.00 -0.90 0.00 0.00 32.23 31.90 1gn3 h LYS 174 CO 1.36 0.40 0.41 -0.39 -2.00 0.00 0.00 179.45 179.23 1gn3 h VAL 175 N 0.48 0.38 -0.51 0.07 -1.51 -1.95 0.46 116.25 113.66 1gn3 h VAL 175 Ca 0.12 -0.12 -0.10 0.00 -1.23 0.00 0.00 66.70 65.38 1gn3 h VAL 175 Cb 0.09 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.25 1gn3 h VAL 175 CO -0.01 0.06 -0.07 0.44 -1.23 0.00 0.00 177.57 176.76 1gn3 h ASP 176 N 0.34 0.91 -0.43 4.19 3.32 -1.82 -2.51 116.42 120.41 1gn3 h ASP 176 Ca 0.61 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 57.26 1gn3 h ASP 176 Cb 1.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1gn3 h ASP 176 CO -0.58 1.01 -0.27 0.15 -1.72 0.00 0.00 179.24 177.82 1gn3 h PHE 177 N 0.84 1.09 0.00 4.55 3.57 -0.18 -1.96 116.94 124.85 1gn3 h PHE 177 Ca 0.14 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1gn3 h PHE 177 Cb 0.59 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1gn3 h PHE 177 CO 0.04 1.10 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 1gn3 n ALA 178 N -2.52 1.92 -0.10 2.41 0.00 -0.03 -1.82 120.51 120.37 1gn3 n ALA 178 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1gn3 n ALA 178 Cb 0.48 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 1gn3 n ALA 178 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gn3 n LYS 179 N -1.28 0.56 -0.31 0.00 5.02 -0.80 -4.13 118.16 117.21 1gn3 n LYS 179 Ca 0.08 0.55 0.24 0.00 -2.02 0.00 0.00 58.31 57.16 1gn3 n LYS 179 Cb 0.13 -1.72 0.55 0.00 -0.02 0.00 0.00 35.03 33.97 1gn3 n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gn3 h ALA 180 N -0.58 2.38 -0.80 7.82 0.00 -1.08 -1.17 119.26 125.82 1gn3 h ALA 180 Ca -0.34 0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1gn3 h ALA 180 Cb 1.25 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 1gn3 h ALA 180 CO -0.21 -0.76 -0.35 0.35 0.00 0.00 0.00 179.25 178.28 1gn3 h PHE 181 N 0.32 -0.96 -0.47 0.00 3.57 -1.51 0.22 116.94 118.10 1gn3 h PHE 181 Ca 0.58 0.09 0.14 0.00 3.53 0.00 0.00 57.97 62.30 1gn3 h PHE 181 Cb 1.60 0.54 -0.02 0.00 2.79 0.00 0.00 35.95 40.86 1gn3 h PHE 181 CO -0.00 -0.39 0.34 -1.49 -2.23 0.00 0.00 178.31 174.54 1gn3 h TRP 182 N -0.07 0.00 0.00 0.41 4.06 -1.41 -1.14 115.95 117.79 1gn3 h TRP 182 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1gn3 h TRP 182 Cb 0.58 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1gn3 h TRP 182 CO -0.75 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.22 1gn3 n ASN 183 N -4.40 0.00 -0.02 -3.49 3.02 0.77 -3.07 115.26 108.08 1gn3 n ASN 183 Ca 0.08 0.30 0.01 0.00 -0.03 0.00 0.00 54.58 54.94 1gn3 n ASN 183 Cb 0.55 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1gn3 n ASN 183 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1gn3 n VAL 184 N -1.40 0.72 -1.76 2.41 0.24 -0.44 -4.09 118.33 114.01 1gn3 n VAL 184 Ca 0.06 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.20 1gn3 n VAL 184 Cb 0.16 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 1gn3 n VAL 184 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1gn3 s VAL 185 N -0.77 2.59 -1.52 3.34 1.01 -1.17 0.42 120.40 124.30 1gn3 s VAL 185 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1gn3 s VAL 185 Cb 0.01 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1gn3 s VAL 185 CO 0.00 0.00 2.60 -3.20 0.00 0.00 0.00 175.10 174.50 1gn3 n ASN 186 N 5.52 6.83 -0.55 3.32 2.85 0.15 0.71 115.26 134.09 1gn3 n ASN 186 Ca 0.17 -2.75 0.45 0.00 -0.11 0.00 0.00 54.58 52.34 1gn3 n ASN 186 Cb 0.38 -1.57 0.76 0.00 1.24 0.00 0.00 39.78 40.59 1gn3 n ASN 186 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 1gn3 h TRP 187 N 5.35 0.16 0.36 1.20 4.06 -1.86 0.48 115.95 125.70 1gn3 h TRP 187 Ca 0.73 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.67 1gn3 h TRP 187 Cb 0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1gn3 h TRP 187 CO 1.68 -0.06 -0.17 0.00 -3.56 0.00 0.00 178.44 176.33 1gn3 h ALA 188 N 1.26 -0.49 -0.83 1.49 0.00 -1.96 0.29 119.26 119.02 1gn3 h ALA 188 Ca 0.83 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.67 1gn3 h ALA 188 Cb 3.11 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 21.03 1gn3 h ALA 188 CO -0.13 -0.73 0.51 0.22 0.00 0.00 0.00 179.25 179.12 1gn3 h ASP 189 N -0.58 0.79 0.07 0.00 -0.00 -0.36 -0.48 116.42 115.86 1gn3 h ASP 189 Ca -0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1gn3 h ASP 189 Cb 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1gn3 h ASP 189 CO 0.08 0.51 -0.03 0.58 -0.00 0.00 0.00 179.24 180.38 1gn3 h VAL 190 N 0.93 1.03 -0.75 2.25 2.07 -1.08 -0.97 116.25 119.72 1gn3 h VAL 190 Ca 0.37 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1gn3 h VAL 190 Cb 0.18 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1gn3 h VAL 190 CO -0.18 0.08 0.49 1.56 0.02 0.00 0.00 177.57 179.54 1gn3 h GLN 191 N -0.22 0.77 0.27 1.57 4.20 -0.06 0.20 115.11 121.83 1gn3 h GLN 191 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1gn3 h GLN 191 Cb 0.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1gn3 h GLN 191 CO 0.01 0.51 -0.13 1.03 -0.67 0.00 0.00 178.83 179.58 1gn3 h SER 192 N 0.79 -0.31 -0.86 1.46 0.87 -0.95 -1.47 113.55 113.09 1gn3 h SER 192 Ca 0.33 -0.22 0.22 0.00 -1.23 0.00 0.00 61.79 60.88 1gn3 h SER 192 Cb 0.26 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.17 1gn3 h SER 192 CO -0.11 0.11 0.28 0.03 -0.53 0.00 0.00 176.83 176.61 1gn3 h ARG 193 N -0.79 0.27 -0.28 2.24 3.08 -0.63 -0.25 114.38 118.02 1gn3 h ARG 193 Ca -0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1gn3 h ARG 193 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1gn3 h ARG 193 CO 0.06 0.18 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.12 1gn3 h TYR 194 N 0.28 0.65 0.02 3.04 3.20 -0.95 -1.67 116.97 121.54 1gn3 h TYR 194 Ca 0.53 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 62.26 1gn3 h TYR 194 Cb 1.02 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1gn3 h TYR 194 CO -0.22 0.79 -0.12 0.00 -1.64 0.00 0.00 178.16 176.98 1gn3 h ALA 195 N 0.76 -0.15 -0.41 1.82 0.00 0.02 -1.17 119.26 120.14 1gn3 h ALA 195 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1gn3 h ALA 195 Cb 0.61 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1gn3 h ALA 195 CO 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 179.25 178.65 1gn3 h ALA 196 N 0.74 0.35 -0.06 0.00 0.00 -1.24 -0.46 119.26 118.60 1gn3 h ALA 196 Ca 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1gn3 h ALA 196 Cb 0.25 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1gn3 h ALA 196 CO -0.10 -0.41 -0.20 0.00 0.00 0.00 0.00 179.25 178.54 1gn3 h ALA 197 N 1.37 1.56 -0.00 0.00 0.00 -1.00 -1.41 119.26 119.78 1gn3 h ALA 197 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gn3 h ALA 197 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gn3 h ALA 197 CO -0.36 0.32 -0.15 0.25 0.00 0.00 0.00 179.25 179.32 1gn3 n THR 198 N -4.26 0.00 1.52 0.00 -2.24 -0.29 -5.04 114.28 103.98 1gn3 n THR 198 Ca -0.02 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1gn3 n THR 198 Cb 0.29 -0.09 0.54 0.00 -2.10 0.00 0.00 70.33 68.97 1gn3 n THR 198 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26