#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gd3 s ILE 2 N 0.00 4.41 0.93 3.17 -4.36 -1.26 -5.06 121.20 119.03 1gd3 s ILE 2 Ca 0.00 1.08 -0.16 0.00 -0.26 0.00 0.00 60.65 61.31 1gd3 s ILE 2 Cb 0.00 -3.67 0.22 0.00 1.25 0.00 0.00 42.46 40.27 1gd3 s ILE 2 CO 0.00 -0.73 0.97 -0.81 0.24 0.00 0.00 174.94 174.60 1gd3 n PRO 3 N -1.90 -2.12 -3.29 0.37 -0.04 -1.26 -5.05 135.00 121.71 1gd3 n PRO 3 Ca 0.07 -1.52 -0.25 0.00 -0.04 0.00 0.00 63.50 61.75 1gd3 n PRO 3 Cb 0.54 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 1gd3 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gd3 n GLY 4 N -2.94 2.51 0.00 0.55 0.00 -1.26 -5.09 105.19 98.96 1gd3 n GLY 4 Ca 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1gd3 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd3 n GLY 5 N 2.10 -0.90 2.47 -0.02 0.00 -1.26 -5.14 105.19 102.43 1gd3 n GLY 5 Ca 0.25 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 1gd3 n GLY 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gd3 n LEU 6 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.08 117.00 116.42 1gd3 n LEU 6 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1gd3 n LEU 6 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1gd3 n LEU 6 CO 0.00 -1.19 0.00 -1.54 -1.33 0.00 0.00 177.39 173.33 1gd3 n SER 7 N -3.63 0.00 0.00 -1.43 3.41 -1.26 -5.08 113.62 105.63 1gd3 n SER 7 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1gd3 n SER 7 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1gd3 n SER 7 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1gd3 n GLU 8 N 0.00 2.68 -3.39 4.33 2.13 -1.26 -5.05 120.64 120.08 1gd3 n GLU 8 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1gd3 n GLU 8 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1gd3 n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gd3 s ALA 9 N -3.44 -2.58 0.39 4.31 0.00 -1.26 -4.88 121.76 114.30 1gd3 s ALA 9 Ca 0.00 2.01 0.07 0.00 0.00 0.00 0.00 51.96 54.04 1gd3 s ALA 9 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1gd3 s ALA 9 CO 0.00 -1.07 -0.00 0.15 0.00 0.00 0.00 175.76 174.84 1gd3 s LYS 10 N 2.69 1.90 0.89 0.00 1.02 -0.99 -4.94 119.74 120.30 1gd3 s LYS 10 Ca 0.00 -2.06 -0.11 0.00 0.02 0.00 0.00 55.97 53.82 1gd3 s LYS 10 Cb -0.09 -1.55 0.13 0.00 -0.52 0.00 0.00 37.83 35.80 1gd3 s LYS 10 CO -0.17 -0.04 1.09 -1.25 -0.92 0.00 0.00 175.35 174.06 1gd3 s PRO 11 N -3.72 1.27 -0.22 -1.68 0.04 -1.26 -0.16 135.00 129.27 1gd3 s PRO 11 Ca 0.35 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.20 1gd3 s PRO 11 Cb 0.09 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1gd3 s PRO 11 CO 0.17 -2.25 0.05 0.00 0.04 0.00 0.00 177.00 175.02 1gd3 s ALA 12 N -2.91 3.18 0.53 8.56 0.00 -0.28 -4.34 121.76 126.50 1gd3 s ALA 12 Ca 0.63 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 1gd3 s ALA 12 Cb -0.18 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 20.98 1gd3 s ALA 12 CO 0.57 -0.24 0.04 2.41 0.00 0.00 0.00 175.76 178.54 1gd3 n THR 13 N 4.43 0.00 -0.01 0.00 -1.04 -1.26 -4.59 114.28 111.80 1gd3 n THR 13 Ca -0.16 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1gd3 n THR 13 Cb 0.52 -1.50 0.06 0.00 -1.82 0.00 0.00 70.33 67.59 1gd3 n THR 13 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1gd3 h PRO 14 N 0.00 0.59 0.04 -2.82 0.13 -1.97 -1.31 132.00 126.67 1gd3 h PRO 14 Ca -0.01 -0.35 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1gd3 h PRO 14 Cb 0.05 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1gd3 h PRO 14 CO 0.01 0.95 -0.02 1.05 -0.23 0.00 0.00 178.00 179.77 1gd3 h GLU 15 N 0.47 -0.06 -0.41 0.86 4.11 -1.98 0.14 114.58 117.71 1gd3 h GLU 15 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 1gd3 h GLU 15 Cb 1.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1gd3 h GLU 15 CO 0.10 0.08 0.19 0.82 0.07 0.00 0.00 179.01 180.27 1gd3 h ILE 16 N -0.19 1.15 0.00 -1.06 1.08 -1.92 0.27 117.51 116.85 1gd3 h ILE 16 Ca -0.01 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1gd3 h ILE 16 Cb 0.17 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1gd3 h ILE 16 CO 0.01 0.17 0.00 -0.61 -0.69 0.00 0.00 178.15 177.03 1gd3 h GLN 17 N 0.57 0.00 0.24 2.37 5.75 -0.64 -2.64 115.11 120.76 1gd3 h GLN 17 Ca 0.14 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.30 1gd3 h GLN 17 Cb 0.08 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.66 1gd3 h GLN 17 CO -0.02 0.00 -1.54 0.93 -2.65 0.00 0.00 178.83 175.55 1gd3 h GLU 18 N 0.00 0.51 -0.80 1.69 4.39 0.22 -2.54 114.58 118.05 1gd3 h GLU 18 Ca 0.00 -0.87 0.19 0.00 0.34 0.00 0.00 59.36 59.02 1gd3 h GLU 18 Cb 0.65 0.32 -0.13 0.00 -0.10 0.00 0.00 28.75 29.50 1gd3 h GLU 18 CO 0.00 1.42 0.16 0.82 -1.16 0.00 0.00 179.01 180.24 1gd3 h ILE 19 N 0.13 0.39 0.06 3.13 1.08 -0.42 0.95 117.51 122.83 1gd3 h ILE 19 Ca -0.28 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1gd3 h ILE 19 Cb 2.15 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1gd3 h ILE 19 CO 0.25 0.04 -0.03 0.58 -0.69 0.00 0.00 178.15 178.30 1gd3 h VAL 20 N 0.21 1.14 0.00 1.67 2.07 -1.53 -1.58 116.25 118.23 1gd3 h VAL 20 Ca 0.47 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gd3 h VAL 20 Cb 0.88 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1gd3 h VAL 20 CO -0.61 0.17 0.16 0.47 0.02 0.00 0.00 177.57 177.79 1gd3 n ASP 21 N -4.98 0.37 -0.03 0.57 9.92 0.13 0.37 116.55 122.89 1gd3 n ASP 21 Ca -0.08 0.60 -0.14 0.00 -0.53 0.00 0.00 54.79 54.64 1gd3 n ASP 21 Cb 0.19 -0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 39.96 1gd3 n ASP 21 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1gd3 h LYS 22 N 0.00 0.08 0.00 -1.24 1.63 0.17 -3.35 116.57 113.87 1gd3 h LYS 22 Ca 0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1gd3 h LYS 22 Cb 0.33 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1gd3 h LYS 22 CO 0.00 0.74 0.00 0.28 -3.45 0.00 0.00 179.45 177.02 1gd3 n VAL 23 N -4.68 0.00 0.13 2.00 0.31 -0.43 -4.59 118.33 111.08 1gd3 n VAL 23 Ca -0.09 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1gd3 n VAL 23 Cb 0.38 1.00 0.14 0.00 -0.91 0.00 0.00 33.84 34.45 1gd3 n VAL 23 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1gd3 h LYS 24 N 0.00 0.00 -0.21 5.55 3.11 0.66 2.16 116.57 127.84 1gd3 h LYS 24 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1gd3 h LYS 24 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1gd3 h LYS 24 CO 0.00 0.62 -0.08 -1.00 -2.81 0.00 0.00 179.45 176.19 1gd3 h PRO 25 N 0.00 0.42 -0.56 1.90 0.13 -1.69 0.40 132.00 132.60 1gd3 h PRO 25 Ca -0.01 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 1gd3 h PRO 25 Cb 1.22 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1gd3 h PRO 25 CO 0.08 0.69 -0.04 0.37 -0.23 0.00 0.00 178.00 178.87 1gd3 h GLN 26 N 0.13 0.99 -0.31 0.86 4.15 -1.76 0.45 115.11 119.62 1gd3 h GLN 26 Ca 0.05 -0.32 0.07 0.00 0.77 0.00 0.00 58.65 59.22 1gd3 h GLN 26 Cb 0.55 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.08 1gd3 h GLN 26 CO 0.03 0.99 -0.20 1.25 -1.93 0.00 0.00 178.83 178.97 1gd3 h LEU 27 N 0.90 -0.65 -0.43 -2.39 6.46 0.41 1.73 115.31 121.35 1gd3 h LEU 27 Ca 0.16 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.10 1gd3 h LEU 27 Cb 0.58 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 1gd3 h LEU 27 CO 0.03 -0.23 0.17 -0.33 -0.62 0.00 0.00 178.44 177.46 1gd3 h GLU 28 N -0.16 0.34 -0.10 1.25 4.39 0.39 0.11 114.58 120.80 1gd3 h GLU 28 Ca 0.16 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1gd3 h GLU 28 Cb 0.41 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1gd3 h GLU 28 CO -0.41 0.22 0.00 -1.91 -1.16 0.00 0.00 179.01 175.76 1gd3 n GLU 29 N -4.98 1.27 -0.10 2.33 2.13 0.20 -1.08 120.64 120.40 1gd3 n GLU 29 Ca 0.03 -0.41 -0.17 0.00 0.66 0.00 0.00 57.16 57.27 1gd3 n GLU 29 Cb 0.15 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 30.60 1gd3 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1gd3 n LYS 30 N -0.25 0.54 -1.00 5.31 4.76 0.57 -4.21 118.16 123.88 1gd3 n LYS 30 Ca 0.08 0.41 -0.12 0.00 -2.87 0.00 0.00 58.31 55.81 1gd3 n LYS 30 Cb 0.12 -1.61 0.23 0.00 -1.84 0.00 0.00 35.03 31.94 1gd3 n LYS 30 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1gd3 n THR 31 N -4.44 2.80 -2.85 -0.18 -1.04 -1.04 -4.83 114.28 102.71 1gd3 n THR 31 Ca -0.28 -1.56 -0.08 0.00 -2.04 0.00 0.00 64.05 60.09 1gd3 n THR 31 Cb 0.60 -0.45 -0.01 0.00 -1.82 0.00 0.00 70.33 68.65 1gd3 n THR 31 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1gd3 n ASN 32 N -0.44 -1.30 -4.68 8.00 0.23 -1.06 -4.85 115.26 111.16 1gd3 n ASN 32 Ca 0.44 0.18 -0.35 0.00 -0.53 0.00 0.00 54.58 54.32 1gd3 n ASN 32 Cb 1.40 -1.23 -0.09 0.00 -2.08 0.00 0.00 39.78 37.78 1gd3 n ASN 32 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1gd3 s GLU 33 N -5.39 3.58 0.16 -3.83 2.56 -0.24 -4.98 118.70 110.56 1gd3 s GLU 33 Ca 0.15 -0.33 0.07 0.00 0.00 0.00 0.00 54.97 54.85 1gd3 s GLU 33 Cb -0.08 -3.07 -0.04 0.00 2.00 0.00 0.00 34.13 32.93 1gd3 s GLU 33 CO 0.18 0.49 0.00 0.99 -0.56 0.00 0.00 175.26 176.35 1gd3 s THR 34 N -0.24 3.79 -0.02 -1.70 2.01 -1.26 -4.21 115.64 114.01 1gd3 s THR 34 Ca 0.08 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 60.69 1gd3 s THR 34 Cb -0.12 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1gd3 s THR 34 CO 0.02 -0.06 -0.12 -1.22 -0.69 0.00 0.00 174.62 172.54 1gd3 n TYR 35 N 0.03 0.00 0.00 4.92 4.01 -1.26 -5.07 117.16 119.79 1gd3 n TYR 35 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1gd3 n TYR 35 Cb 0.54 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1gd3 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gd3 n GLY 36 N 2.56 0.16 2.59 2.72 0.00 -1.26 -4.97 105.19 106.99 1gd3 n GLY 36 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1gd3 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gd3 n LYS 37 N 0.00 -2.12 -3.41 1.61 4.76 -1.26 -4.86 118.16 112.88 1gd3 n LYS 37 Ca 0.00 1.93 -0.19 0.00 -2.87 0.00 0.00 58.31 57.18 1gd3 n LYS 37 Cb 0.00 -4.89 -0.00 0.00 -1.84 0.00 0.00 35.03 28.30 1gd3 n LYS 37 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1gd3 s LEU 38 N -2.16 3.93 0.10 -0.35 -0.00 -1.26 -4.75 118.68 114.19 1gd3 s LEU 38 Ca 0.17 -0.13 0.08 0.00 -0.00 0.00 0.00 54.13 54.26 1gd3 s LEU 38 Cb -0.05 -2.80 -0.03 0.00 -0.00 0.00 0.00 46.19 43.30 1gd3 s LEU 38 CO 0.64 -0.47 -0.21 -1.83 -0.00 0.00 0.00 176.35 174.48 1gd3 s GLU 39 N -4.22 1.12 0.05 1.48 -1.05 -1.22 -4.84 118.70 110.02 1gd3 s GLU 39 Ca 0.45 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 1gd3 s GLU 39 Cb -0.10 -1.38 -0.04 0.00 -0.44 0.00 0.00 34.13 32.18 1gd3 s GLU 39 CO 0.32 0.32 0.98 0.00 0.95 0.00 0.00 175.26 177.82 1gd3 s ALA 40 N -1.16 3.20 -0.05 -0.84 0.00 -1.26 0.26 121.76 121.91 1gd3 s ALA 40 Ca 0.06 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.67 1gd3 s ALA 40 Cb -0.10 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 1gd3 s ALA 40 CO 0.04 -0.15 0.10 0.28 0.00 0.00 0.00 175.76 176.04 1gd3 n VAL 41 N 3.42 0.33 -3.85 0.00 0.31 0.16 -4.35 118.33 114.36 1gd3 n VAL 41 Ca 0.04 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 63.99 1gd3 n VAL 41 Cb 0.50 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1gd3 n VAL 41 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1gd3 s GLN 42 N -2.39 2.03 -0.01 5.55 -0.21 -1.10 -1.13 119.66 122.40 1gd3 s GLN 42 Ca -0.04 -1.28 -0.10 0.00 0.02 0.00 0.00 55.36 53.96 1gd3 s GLN 42 Cb 0.04 0.61 0.03 0.00 1.00 0.00 0.00 33.01 34.69 1gd3 s GLN 42 CO 0.36 -0.94 0.43 2.48 -2.12 0.00 0.00 175.29 175.51 1gd3 n TYR 43 N -0.50 -0.19 -1.23 0.91 0.18 0.78 0.12 117.16 117.23 1gd3 n TYR 43 Ca -0.06 -0.23 0.00 0.00 1.88 0.00 0.00 57.90 59.49 1gd3 n TYR 43 Cb 0.60 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.66 1gd3 n TYR 43 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1gd3 n LYS 44 N -0.31 0.00 -3.58 -3.48 5.02 0.12 -2.36 118.16 113.57 1gd3 n LYS 44 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 1gd3 n LYS 44 Cb 0.19 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.14 1gd3 n LYS 44 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1gd3 s THR 45 N -1.33 0.01 0.00 -0.18 -4.23 -1.26 -3.12 115.64 105.53 1gd3 s THR 45 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1gd3 s THR 45 Cb 0.00 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1gd3 s THR 45 CO 0.00 -0.03 0.00 1.67 -0.54 0.00 0.00 174.62 175.72 1gd3 n GLN 46 N 1.41 3.98 -3.15 3.99 0.00 0.47 -4.38 117.38 119.70 1gd3 n GLN 46 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.00 56.87 1gd3 n GLN 46 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.79 1gd3 n GLN 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1gd3 s VAL 47 N 2.64 -0.77 0.00 1.69 1.01 -1.26 -4.36 120.40 119.35 1gd3 s VAL 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1gd3 s VAL 47 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1gd3 s VAL 47 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.62 1gd3 n VAL 48 N 5.44 0.00 -0.64 2.92 0.31 -1.26 -4.96 118.33 120.14 1gd3 n VAL 48 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1gd3 n VAL 48 Cb 0.52 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.47 1gd3 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gd3 n ALA 49 N -3.00 4.47 0.00 3.52 0.00 -1.26 -4.71 120.51 119.53 1gd3 n ALA 49 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1gd3 n ALA 49 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1gd3 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gd3 n GLY 50 N 0.93 -0.46 3.08 0.00 0.00 -1.26 -4.73 105.19 102.75 1gd3 n GLY 50 Ca 0.14 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1gd3 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gd3 s THR 51 N 0.00 -0.88 0.22 2.61 2.01 -1.18 -4.81 115.64 113.61 1gd3 s THR 51 Ca 0.00 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 1gd3 s THR 51 Cb 0.00 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1gd3 s THR 51 CO 0.00 -0.04 0.56 0.20 -0.69 0.00 0.00 174.62 174.65 1gd3 s ASN 52 N 2.77 6.66 0.27 3.53 -0.87 -1.26 -1.96 114.94 124.08 1gd3 s ASN 52 Ca 0.18 0.95 0.10 0.00 -1.57 0.00 0.00 52.86 52.53 1gd3 s ASN 52 Cb -0.15 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.80 1gd3 s ASN 52 CO -0.20 -0.06 -0.07 -0.31 -2.57 0.00 0.00 177.10 173.89 1gd3 s TYR 53 N -1.78 2.55 -0.19 2.20 1.51 -1.08 0.18 117.35 120.73 1gd3 s TYR 53 Ca 0.46 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1gd3 s TYR 53 Cb -0.12 -1.13 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1gd3 s TYR 53 CO 0.21 0.65 0.03 -0.47 -1.11 0.00 0.00 175.55 174.87 1gd3 s TYR 54 N -2.39 1.01 -0.17 2.71 6.14 -1.18 -2.97 117.35 120.49 1gd3 s TYR 54 Ca 0.31 -0.83 -0.02 0.00 0.64 0.00 0.00 57.07 57.17 1gd3 s TYR 54 Cb -0.06 -1.02 -0.01 0.00 0.42 0.00 0.00 41.96 41.29 1gd3 s TYR 54 CO 0.18 -0.60 -0.08 0.42 0.64 0.00 0.00 175.55 176.11 1gd3 s ILE 55 N 1.86 3.34 -0.39 3.14 -1.09 -0.75 0.15 121.20 127.45 1gd3 s ILE 55 Ca -0.01 -0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 57.65 1gd3 s ILE 55 Cb -0.17 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 1gd3 s ILE 55 CO -0.08 0.48 0.77 -0.75 -1.23 0.00 0.00 174.94 174.14 1gd3 s LYS 56 N 0.78 3.64 0.01 2.79 2.20 0.32 -1.80 119.74 127.68 1gd3 s LYS 56 Ca -0.03 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1gd3 s LYS 56 Cb -0.15 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 1gd3 s LYS 56 CO 0.01 -0.93 0.00 0.08 -0.36 0.00 0.00 175.35 174.16 1gd3 s VAL 57 N 3.14 4.13 1.00 4.02 1.01 -0.73 0.39 120.40 133.36 1gd3 s VAL 57 Ca 0.30 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 1gd3 s VAL 57 Cb -0.13 -2.86 0.21 0.00 0.00 0.00 0.00 36.38 33.60 1gd3 s VAL 57 CO 0.19 0.34 1.28 -0.60 0.00 0.00 0.00 175.10 176.30 1gd3 s ARG 58 N -1.67 0.35 -0.44 2.72 3.52 0.72 0.30 118.95 124.44 1gd3 s ARG 58 Ca 0.21 -0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.55 1gd3 s ARG 58 Cb -0.12 -1.80 0.31 0.00 -1.56 0.00 0.00 34.95 31.78 1gd3 s ARG 58 CO 0.12 -2.62 0.96 0.00 -0.81 0.00 0.00 175.30 172.95 1gd3 n ALA 59 N -3.93 -0.15 0.00 6.12 0.00 0.23 -3.41 120.51 119.37 1gd3 n ALA 59 Ca 0.15 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1gd3 n ALA 59 Cb 0.59 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1gd3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gd3 n GLY 60 N 0.65 1.71 2.73 0.00 0.00 -1.26 -3.71 105.19 105.31 1gd3 n GLY 60 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1gd3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gd3 n ASP 61 N 0.00 -5.62 0.00 1.61 8.00 -1.26 -4.39 116.55 114.89 1gd3 n ASP 61 Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1gd3 n ASP 61 Cb 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 1gd3 n ASP 61 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gd3 n ASN 62 N -1.16 0.00 -4.43 -2.24 5.03 -1.26 -5.14 115.26 106.06 1gd3 n ASN 62 Ca -0.13 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.06 1gd3 n ASN 62 Cb 0.60 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.50 1gd3 n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1gd3 s LYS 63 N -0.96 1.19 0.36 3.52 1.02 -1.24 -4.82 119.74 118.80 1gd3 s LYS 63 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1gd3 s LYS 63 Cb 0.00 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1gd3 s LYS 63 CO 0.00 -1.88 0.44 0.71 -0.92 0.00 0.00 175.35 173.70 1gd3 s TYR 64 N -3.45 1.31 0.27 3.18 2.02 -1.26 0.75 117.35 120.18 1gd3 s TYR 64 Ca 0.70 -1.44 -0.08 0.00 -0.37 0.00 0.00 57.07 55.88 1gd3 s TYR 64 Cb -0.04 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.29 1gd3 s TYR 64 CO 0.48 -1.10 0.50 1.28 -1.57 0.00 0.00 175.55 175.14 1gd3 n LEU 65 N -0.61 0.00 -3.16 -1.29 4.32 0.87 -3.46 117.00 113.66 1gd3 n LEU 65 Ca 0.03 -1.91 0.04 0.00 -0.02 0.00 0.00 56.01 54.14 1gd3 n LEU 65 Cb 0.61 2.47 -0.01 0.00 -1.62 0.00 0.00 43.42 44.88 1gd3 n LEU 65 CO 0.31 -0.57 0.19 -1.00 -1.22 0.00 0.00 177.39 175.09 1gd3 s HIS 66 N -3.94 -1.54 0.31 -1.77 3.76 -1.19 -1.77 115.29 109.15 1gd3 s HIS 66 Ca 0.14 1.66 0.04 0.00 -0.15 0.00 0.00 55.06 56.76 1gd3 s HIS 66 Cb -0.03 0.55 -0.06 0.00 1.11 0.00 0.00 32.58 34.15 1gd3 s HIS 66 CO 0.10 -0.84 0.04 -0.51 -0.85 0.00 0.00 174.74 172.68 1gd3 s LEU 67 N 2.87 2.23 0.37 0.89 1.43 -0.75 0.25 118.68 125.97 1gd3 s LEU 67 Ca 0.19 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.01 1gd3 s LEU 67 Cb -0.15 -0.41 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 1gd3 s LEU 67 CO -0.20 -0.56 0.52 -0.75 0.23 0.00 0.00 176.35 175.59 1gd3 s LYS 68 N -3.87 3.03 -0.51 1.70 2.47 -0.74 -1.82 119.74 120.01 1gd3 s LYS 68 Ca 0.35 -0.99 0.07 0.00 -1.56 0.00 0.00 55.97 53.84 1gd3 s LYS 68 Cb 0.08 -2.77 0.21 0.00 -1.46 0.00 0.00 37.83 33.89 1gd3 s LYS 68 CO 0.14 -0.07 0.78 0.28 0.16 0.00 0.00 175.35 176.65 1gd3 n VAL 69 N -1.76 0.00 -2.63 4.02 0.31 -1.16 -4.65 118.33 112.46 1gd3 n VAL 69 Ca 0.02 -1.15 -0.40 0.00 -0.01 0.00 0.00 64.34 62.79 1gd3 n VAL 69 Cb 0.58 1.15 -0.05 0.00 -0.91 0.00 0.00 33.84 34.62 1gd3 n VAL 69 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1gd3 s PHE 70 N 0.82 3.79 -0.44 3.52 5.36 0.31 -2.64 117.98 128.70 1gd3 s PHE 70 Ca 0.31 1.79 0.01 0.00 -0.96 0.00 0.00 56.93 58.08 1gd3 s PHE 70 Cb 0.07 -3.12 0.12 0.00 -0.34 0.00 0.00 43.02 39.75 1gd3 s PHE 70 CO -0.11 -0.02 0.20 0.21 -1.46 0.00 0.00 175.22 174.04 1gd3 s LYS 71 N -1.00 1.91 0.00 10.12 2.20 -0.83 0.00 119.74 132.15 1gd3 s LYS 71 Ca 0.44 -2.12 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 1gd3 s LYS 71 Cb -0.28 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1gd3 s LYS 71 CO 0.35 -1.05 0.00 -1.13 -0.36 0.00 0.00 175.35 173.16 1gd3 n SER 72 N 4.00 0.00 -4.20 1.43 3.41 -1.23 -3.09 113.62 113.94 1gd3 n SER 72 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1gd3 n SER 72 Cb 0.39 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 1gd3 n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gd3 s LEU 73 N 0.00 2.04 0.04 1.04 1.02 -1.26 -4.62 118.68 116.94 1gd3 s LEU 73 Ca 0.00 -1.17 -0.22 0.00 0.02 0.00 0.00 54.13 52.76 1gd3 s LEU 73 Cb 0.00 0.07 -0.14 0.00 0.02 0.00 0.00 46.19 46.14 1gd3 s LEU 73 CO 0.00 -0.62 1.43 1.55 0.02 0.00 0.00 176.35 178.73 1gd3 h PRO 74 N 2.79 0.22 0.00 1.29 0.13 -1.91 2.88 132.00 137.40 1gd3 h PRO 74 Ca -0.36 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1gd3 h PRO 74 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1gd3 h PRO 74 CO 0.62 0.51 0.13 0.41 -0.23 0.00 0.00 178.00 179.43 1gd3 n GLY 75 N -0.15 -0.36 0.00 1.56 0.00 -1.26 -4.30 105.19 100.68 1gd3 n GLY 75 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1gd3 n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1gd3 n GLN 76 N -1.36 0.00 -2.34 1.61 -0.06 -1.12 -5.01 117.38 109.11 1gd3 n GLN 76 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 1gd3 n GLN 76 Cb 0.13 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.33 1gd3 n GLN 76 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1gd3 n ASN 77 N -0.66 3.98 -0.06 1.69 6.94 -0.96 -4.91 115.26 121.27 1gd3 n ASN 77 Ca 0.00 -3.35 0.06 0.00 -0.02 0.00 0.00 54.58 51.26 1gd3 n ASN 77 Cb 0.00 -0.41 0.10 0.00 -2.36 0.00 0.00 39.78 37.11 1gd3 n ASN 77 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1gd3 n GLU 78 N -0.57 -0.01 -0.95 -3.83 0.00 0.96 -4.40 120.64 111.84 1gd3 n GLU 78 Ca 0.33 0.27 -0.38 0.00 0.00 0.00 0.00 57.16 57.38 1gd3 n GLU 78 Cb 0.85 -0.47 0.05 0.00 0.00 0.00 0.00 31.44 31.87 1gd3 n GLU 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1gd3 n ASP 79 N -3.51 -3.16 -4.89 -1.84 8.00 -1.26 -3.92 116.55 105.96 1gd3 n ASP 79 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 1gd3 n ASP 79 Cb 0.23 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1gd3 n ASP 79 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gd3 s LEU 80 N 6.49 3.17 -0.27 0.64 2.01 -1.26 -3.51 118.68 125.95 1gd3 s LEU 80 Ca 0.40 -0.12 -0.25 0.00 0.01 0.00 0.00 54.13 54.17 1gd3 s LEU 80 Cb 0.05 -2.59 0.07 0.00 0.01 0.00 0.00 46.19 43.73 1gd3 s LEU 80 CO 0.67 -1.36 0.74 -0.69 1.01 0.00 0.00 176.35 176.72 1gd3 s VAL 81 N -2.88 0.00 -0.20 -1.59 1.01 0.10 -4.91 120.40 111.93 1gd3 s VAL 81 Ca 0.60 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1gd3 s VAL 81 Cb -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1gd3 s VAL 81 CO 0.40 0.00 0.82 -0.22 0.00 0.00 0.00 175.10 176.11 1gd3 s LEU 82 N 0.38 4.13 0.11 3.92 2.96 -1.26 0.11 118.68 129.03 1gd3 s LEU 82 Ca 0.00 1.10 0.23 0.00 -0.22 0.00 0.00 54.13 55.24 1gd3 s LEU 82 Cb -0.05 -3.20 -0.06 0.00 0.50 0.00 0.00 46.19 43.38 1gd3 s LEU 82 CO 0.01 -0.45 0.91 0.41 -1.32 0.00 0.00 176.35 175.91 1gd3 n THR 83 N 4.97 0.36 0.00 3.68 -1.04 -1.26 -4.95 114.28 116.04 1gd3 n THR 83 Ca 0.05 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1gd3 n THR 83 Cb 0.48 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1gd3 n THR 83 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gd3 n GLY 84 N 1.25 2.95 0.00 3.41 0.00 -1.26 -5.04 105.19 106.49 1gd3 n GLY 84 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1gd3 n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1gd3 n TYR 85 N -0.72 0.00 -3.63 1.61 0.18 -1.26 -1.80 117.16 111.54 1gd3 n TYR 85 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1gd3 n TYR 85 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 1gd3 n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1gd3 s GLN 86 N 0.23 1.05 0.00 -3.48 -0.21 0.70 -4.86 119.66 113.09 1gd3 s GLN 86 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1gd3 s GLN 86 Cb 0.00 0.46 0.00 0.00 1.00 0.00 0.00 33.01 34.47 1gd3 s GLN 86 CO 0.00 -0.40 0.00 1.33 -2.12 0.00 0.00 175.29 174.10 1gd3 n VAL 87 N -0.05 0.00 -0.39 1.09 0.24 -1.26 -3.18 118.33 114.78 1gd3 n VAL 87 Ca -0.17 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.07 1gd3 n VAL 87 Cb 0.63 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.94 1gd3 n VAL 87 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1gd3 n ASP 88 N 0.00 2.19 -3.77 -1.34 9.92 -1.23 -3.38 116.55 118.95 1gd3 n ASP 88 Ca 0.00 -1.93 0.00 0.00 -0.53 0.00 0.00 54.79 52.33 1gd3 n ASP 88 Cb 0.00 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1gd3 n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1gd3 n LYS 89 N 3.13 1.09 -1.73 -1.24 4.76 -1.22 -4.85 118.16 118.09 1gd3 n LYS 89 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1gd3 n LYS 89 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 1gd3 n LYS 89 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1gd3 n ASN 90 N 0.00 0.47 0.04 4.39 5.03 -1.26 -4.52 115.26 119.41 1gd3 n ASN 90 Ca 0.00 -0.87 -0.14 0.00 0.87 0.00 0.00 54.58 54.44 1gd3 n ASN 90 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 1gd3 n ASN 90 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1gd3 h LYS 91 N 0.00 0.17 -0.86 3.52 3.64 -2.00 -3.31 116.57 117.73 1gd3 h LYS 91 Ca 0.00 -0.28 -0.21 0.00 -1.27 0.00 0.00 60.65 58.88 1gd3 h LYS 91 Cb 0.00 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 31.80 1gd3 h LYS 91 CO 0.00 0.98 0.27 -0.25 -2.27 0.00 0.00 179.45 178.18 1gd3 n ASP 92 N -3.36 4.02 -4.33 4.20 8.00 -1.26 -4.95 116.55 118.87 1gd3 n ASP 92 Ca -0.15 -2.98 -0.29 0.00 0.71 0.00 0.00 54.79 52.08 1gd3 n ASP 92 Cb 1.03 -0.70 0.16 0.00 -0.02 0.00 0.00 41.12 41.59 1gd3 n ASP 92 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1gd3 s ASP 93 N -0.66 3.53 0.27 -2.24 1.11 -1.25 -5.08 116.67 112.35 1gd3 s ASP 93 Ca 0.42 0.25 0.06 0.00 0.18 0.00 0.00 52.55 53.46 1gd3 s ASP 93 Cb 0.34 -0.42 -0.03 0.00 1.07 0.00 0.00 42.92 43.88 1gd3 s ASP 93 CO 0.10 -2.46 0.32 -0.70 1.18 0.00 0.00 175.17 173.60 1gd3 s GLU 94 N -5.72 3.15 0.00 8.23 2.12 -1.26 -5.03 118.70 120.19 1gd3 s GLU 94 Ca 0.71 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1gd3 s GLU 94 Cb -0.05 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1gd3 s GLU 94 CO 0.51 0.33 0.00 1.28 -0.54 0.00 0.00 175.26 176.84 1gd3 n LEU 95 N -1.37 0.19 0.00 2.70 4.77 -1.26 -5.05 117.00 116.98 1gd3 n LEU 95 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1gd3 n LEU 95 Cb 0.58 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1gd3 n LEU 95 CO 0.44 0.03 0.37 0.41 -1.33 0.00 0.00 177.39 177.31 1gd3 n THR 96 N -1.52 0.00 -3.35 -5.08 -1.04 -1.26 -4.10 114.28 97.93 1gd3 n THR 96 Ca 0.00 -0.48 -0.21 0.00 -2.04 0.00 0.00 64.05 61.32 1gd3 n THR 96 Cb 0.32 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.13 1gd3 n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gd3 n GLY 97 N 1.21 -0.47 0.00 3.41 0.00 -1.26 -5.15 105.19 102.92 1gd3 n GLY 97 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1gd3 n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65