#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gd4 s ILE 2 N 0.00 0.99 0.00 2.02 1.10 -1.26 -5.14 121.20 118.90 1gd4 s ILE 2 Ca 0.00 -0.47 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 1gd4 s ILE 2 Cb 0.00 -0.86 0.00 0.00 0.15 0.00 0.00 42.46 41.75 1gd4 s ILE 2 CO 0.00 0.30 0.00 -0.81 -2.11 0.00 0.00 174.94 172.32 1gd4 n PRO 3 N 3.23 0.01 0.00 3.50 -0.04 -1.26 -4.66 135.00 135.78 1gd4 n PRO 3 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1gd4 n PRO 3 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1gd4 n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gd4 n GLY 4 N 3.36 2.58 1.08 0.55 0.00 -1.26 -4.77 105.19 106.73 1gd4 n GLY 4 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1gd4 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd4 n GLY 5 N 0.00 0.97 3.73 -0.02 0.00 -1.26 -4.65 105.19 103.96 1gd4 n GLY 5 Ca 0.00 -0.49 -0.63 0.00 0.00 0.00 0.00 46.02 44.90 1gd4 n GLY 5 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1gd4 n LEU 6 N -0.34 1.68 0.01 0.99 -0.00 -1.26 -4.69 117.00 113.39 1gd4 n LEU 6 Ca 0.00 1.14 -0.00 0.00 -0.00 0.00 0.00 56.01 57.15 1gd4 n LEU 6 Cb 0.35 -0.99 -0.00 0.00 -0.00 0.00 0.00 43.42 42.78 1gd4 n LEU 6 CO 0.00 -0.69 0.40 -1.28 -0.00 0.00 0.00 177.39 175.82 1gd4 h SER 7 N 5.88 -0.02 0.00 1.45 0.87 0.31 -3.47 113.55 118.58 1gd4 h SER 7 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1gd4 h SER 7 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1gd4 h SER 7 CO 0.96 -0.01 0.00 1.21 -0.53 0.00 0.00 176.83 178.46 1gd4 n GLU 8 N -2.06 0.75 0.00 2.24 4.07 -1.26 -4.90 120.64 119.47 1gd4 n GLU 8 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1gd4 n GLU 8 Cb 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 1gd4 n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gd4 n ALA 9 N -3.00 0.00 -2.87 4.31 0.00 -0.85 -4.25 120.51 113.85 1gd4 n ALA 9 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1gd4 n ALA 9 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1gd4 n ALA 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1gd4 n LYS 10 N 0.00 0.37 -1.70 0.00 2.85 -0.83 -4.58 118.16 114.26 1gd4 n LYS 10 Ca 0.00 -2.80 -0.37 0.00 -1.05 0.00 0.00 58.31 54.08 1gd4 n LYS 10 Cb 0.00 -0.37 0.06 0.00 -0.65 0.00 0.00 35.03 34.07 1gd4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1gd4 n PRO 11 N -2.40 1.13 -5.10 -1.58 -0.04 -1.25 -0.75 135.00 125.01 1gd4 n PRO 11 Ca 0.16 0.44 -0.28 0.00 -0.04 0.00 0.00 63.50 63.77 1gd4 n PRO 11 Cb 0.56 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 1gd4 n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gd4 s ALA 12 N -1.40 1.88 0.00 0.55 0.00 0.60 -4.54 121.76 118.86 1gd4 s ALA 12 Ca 0.80 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1gd4 s ALA 12 Cb -0.39 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1gd4 s ALA 12 CO 0.43 0.46 0.00 2.41 0.00 0.00 0.00 175.76 179.06 1gd4 n THR 13 N 2.49 0.00 0.44 0.00 -1.04 -1.25 -4.25 114.28 110.67 1gd4 n THR 13 Ca -0.16 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.93 1gd4 n THR 13 Cb 0.52 0.00 0.33 0.00 -1.82 0.00 0.00 70.33 69.36 1gd4 n THR 13 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1gd4 n PRO 14 N 0.00 0.04 0.25 -2.82 -0.04 -1.26 -2.01 135.00 129.16 1gd4 n PRO 14 Ca 0.00 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1gd4 n PRO 14 Cb 0.00 -1.57 0.61 0.00 -0.04 0.00 0.00 33.50 32.49 1gd4 n PRO 14 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1gd4 h GLU 15 N 0.00 0.00 0.00 0.54 4.11 -1.98 -0.05 114.58 117.20 1gd4 h GLU 15 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gd4 h GLU 15 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1gd4 h GLU 15 CO 0.00 0.15 -1.22 -0.89 0.07 0.00 0.00 179.01 177.12 1gd4 n ILE 16 N -3.40 0.27 0.25 -1.06 -0.00 -0.85 -3.68 119.36 110.90 1gd4 n ILE 16 Ca -0.00 -0.39 0.14 0.00 -0.00 0.00 0.00 62.75 62.50 1gd4 n ILE 16 Cb 0.34 -0.00 0.56 0.00 -0.00 0.00 0.00 39.64 40.54 1gd4 n ILE 16 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1gd4 h GLN 17 N 0.00 0.00 0.00 0.38 5.75 -0.93 0.81 115.11 121.12 1gd4 h GLN 17 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1gd4 h GLN 17 Cb 0.87 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.42 1gd4 h GLN 17 CO 0.00 0.07 -0.03 1.05 -2.65 0.00 0.00 178.83 177.28 1gd4 h GLU 18 N 0.00 0.00 -0.20 1.69 4.11 -1.42 1.86 114.58 120.62 1gd4 h GLU 18 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1gd4 h GLU 18 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1gd4 h GLU 18 CO 0.01 0.92 0.14 0.82 0.07 0.00 0.00 179.01 180.97 1gd4 h ILE 19 N -1.00 0.91 0.11 -1.06 2.04 -1.60 1.24 117.51 118.15 1gd4 h ILE 19 Ca -0.01 -0.01 -0.27 0.00 1.00 0.00 0.00 64.86 65.58 1gd4 h ILE 19 Cb 0.92 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1gd4 h ILE 19 CO -0.00 0.00 -1.24 0.58 0.00 0.00 0.00 178.15 177.49 1gd4 h VAL 20 N 0.02 1.49 0.00 1.67 2.07 0.83 -3.02 116.25 119.31 1gd4 h VAL 20 Ca 0.09 -3.09 -0.10 0.00 0.82 0.00 0.00 66.70 64.43 1gd4 h VAL 20 Cb 0.35 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1gd4 h VAL 20 CO -0.00 0.89 -0.46 0.44 0.02 0.00 0.00 177.57 178.46 1gd4 h ASP 21 N 0.06 0.00 0.80 0.57 3.32 0.59 -1.10 116.42 120.66 1gd4 h ASP 21 Ca -0.13 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1gd4 h ASP 21 Cb 1.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.47 1gd4 h ASP 21 CO 0.19 0.46 -0.80 0.11 -1.72 0.00 0.00 179.24 177.47 1gd4 h LYS 22 N 0.00 0.00 0.00 3.56 1.57 0.14 -3.33 116.57 118.50 1gd4 h LYS 22 Ca -0.00 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1gd4 h LYS 22 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1gd4 h LYS 22 CO 0.06 0.80 -1.91 1.33 -0.57 0.00 0.00 179.45 179.17 1gd4 n VAL 23 N -3.59 0.28 0.29 0.50 0.24 -1.14 -4.33 118.33 110.58 1gd4 n VAL 23 Ca -0.01 -0.49 0.19 0.00 -2.04 0.00 0.00 64.34 61.99 1gd4 n VAL 23 Cb 0.77 -0.07 0.98 0.00 -1.47 0.00 0.00 33.84 34.05 1gd4 n VAL 23 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1gd4 h LYS 24 N 0.00 0.00 -0.05 7.34 2.10 -1.31 1.87 116.57 126.52 1gd4 h LYS 24 Ca -0.11 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1gd4 h LYS 24 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1gd4 h LYS 24 CO 0.01 0.00 -0.07 1.03 -2.00 0.00 0.00 179.45 178.42 1gd4 h SER 25 N 0.00 0.14 0.63 7.07 0.87 -1.76 0.92 113.55 121.43 1gd4 h SER 25 Ca 0.03 -0.53 -0.22 0.00 -1.23 0.00 0.00 61.79 59.84 1gd4 h SER 25 Cb 0.34 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1gd4 h SER 25 CO -0.00 0.64 -0.99 1.56 -0.53 0.00 0.00 176.83 177.52 1gd4 h GLN 26 N -0.35 0.21 -0.16 2.24 4.20 -1.37 -3.11 115.11 116.77 1gd4 h GLN 26 Ca 0.01 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1gd4 h GLN 26 Cb 0.61 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1gd4 h GLN 26 CO 0.02 1.04 -0.44 1.25 -0.67 0.00 0.00 178.83 180.02 1gd4 h LEU 27 N 0.10 0.42 0.41 1.46 6.46 0.29 -0.11 115.31 124.33 1gd4 h LEU 27 Ca -0.06 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1gd4 h LEU 27 Cb 1.66 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.46 1gd4 h LEU 27 CO 0.15 0.80 -0.27 -0.33 -0.62 0.00 0.00 178.44 178.17 1gd4 h GLU 28 N 0.32 -0.64 -0.53 1.25 4.39 0.94 -2.64 114.58 117.68 1gd4 h GLU 28 Ca 0.02 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1gd4 h GLU 28 Cb 0.90 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1gd4 h GLU 28 CO 0.08 -0.42 0.00 -1.91 -1.16 0.00 0.00 179.01 175.59 1gd4 n GLU 29 N -5.40 2.36 -0.04 2.33 2.13 -1.19 -0.52 120.64 120.31 1gd4 n GLU 29 Ca -0.10 -1.60 -0.03 0.00 0.66 0.00 0.00 57.16 56.09 1gd4 n GLU 29 Cb 0.31 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.49 1gd4 n GLU 29 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1gd4 h LYS 30 N 2.40 0.00 -0.44 5.31 1.79 -0.64 -3.39 116.57 121.61 1gd4 h LYS 30 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1gd4 h LYS 30 Cb 0.81 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.30 1gd4 h LYS 30 CO 0.09 0.00 -0.13 2.41 -1.08 0.00 0.00 179.45 180.74 1gd4 n THR 31 N -3.80 2.62 -3.09 -0.16 -1.04 -1.17 -4.90 114.28 102.75 1gd4 n THR 31 Ca -0.04 -2.98 -0.21 0.00 -2.04 0.00 0.00 64.05 58.78 1gd4 n THR 31 Cb 0.16 -0.47 0.01 0.00 -1.82 0.00 0.00 70.33 68.20 1gd4 n THR 31 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1gd4 n ASN 32 N -1.07 -4.62 -1.18 8.00 0.23 -0.64 -4.95 115.26 111.04 1gd4 n ASN 32 Ca 0.36 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1gd4 n ASN 32 Cb 1.00 -3.79 0.00 0.00 -2.08 0.00 0.00 39.78 34.91 1gd4 n ASN 32 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1gd4 n GLU 33 N -3.68 3.53 0.00 -3.83 4.07 0.33 -4.93 120.64 116.12 1gd4 n GLU 33 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1gd4 n GLU 33 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 1gd4 n GLU 33 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1gd4 n THR 34 N 0.00 0.00 -1.15 6.31 5.66 -1.26 -4.64 114.28 119.20 1gd4 n THR 34 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1gd4 n THR 34 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1gd4 n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1gd4 n TYR 35 N -1.90 -1.40 0.00 1.09 4.02 -1.26 -4.69 117.16 113.02 1gd4 n TYR 35 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1gd4 n TYR 35 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1gd4 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gd4 n GLY 36 N -0.18 1.43 1.27 2.72 0.00 -1.26 -4.55 105.19 104.61 1gd4 n GLY 36 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1gd4 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1gd4 n LYS 37 N 0.00 2.82 -4.37 1.61 3.00 -1.26 -4.86 118.16 115.10 1gd4 n LYS 37 Ca 0.00 -1.60 -0.27 0.00 -0.00 0.00 0.00 58.31 56.44 1gd4 n LYS 37 Cb 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 35.03 33.07 1gd4 n LYS 37 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1gd4 s LEU 38 N -1.45 2.64 -0.27 3.14 0.05 -1.26 -4.86 118.68 116.67 1gd4 s LEU 38 Ca 0.28 -0.76 -0.08 0.00 0.05 0.00 0.00 54.13 53.62 1gd4 s LEU 38 Cb 0.22 -1.35 -0.03 0.00 -2.05 0.00 0.00 46.19 42.98 1gd4 s LEU 38 CO 0.08 0.11 0.11 -1.83 -0.55 0.00 0.00 176.35 174.27 1gd4 s GLU 39 N -2.73 3.62 -0.47 1.48 -1.05 -0.96 -4.89 118.70 113.69 1gd4 s GLU 39 Ca 0.22 -0.51 -0.29 0.00 -0.15 0.00 0.00 54.97 54.24 1gd4 s GLU 39 Cb -0.08 -3.43 0.03 0.00 -0.44 0.00 0.00 34.13 30.21 1gd4 s GLU 39 CO 0.12 -0.24 1.19 0.00 0.95 0.00 0.00 175.26 177.27 1gd4 s ALA 40 N 1.63 3.13 -0.09 -0.84 0.00 -1.26 -1.94 121.76 122.39 1gd4 s ALA 40 Ca 0.06 -0.44 0.14 0.00 0.00 0.00 0.00 51.96 51.72 1gd4 s ALA 40 Cb -0.16 -3.91 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 1gd4 s ALA 40 CO 0.05 -2.30 1.14 0.28 0.00 0.00 0.00 175.76 174.93 1gd4 h VAL 41 N 6.28 0.86 -3.08 0.00 2.07 -1.66 -3.33 116.25 117.39 1gd4 h VAL 41 Ca -0.24 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 1gd4 h VAL 41 Cb 1.07 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1gd4 h VAL 41 CO 1.12 0.49 0.22 -1.58 0.02 0.00 0.00 177.57 177.85 1gd4 s GLN 42 N -2.88 2.05 0.21 1.57 0.74 -1.19 0.22 119.66 120.38 1gd4 s GLN 42 Ca 0.00 -1.30 -0.22 0.00 0.05 0.00 0.00 55.36 53.89 1gd4 s GLN 42 Cb 0.08 0.61 0.05 0.00 1.10 0.00 0.00 33.01 34.85 1gd4 s GLN 42 CO 0.79 -0.95 0.68 1.52 -0.55 0.00 0.00 175.29 176.78 1gd4 s TYR 43 N -2.93 -0.35 0.00 1.67 1.13 0.07 -0.76 117.35 116.18 1gd4 s TYR 43 Ca 0.15 0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 1gd4 s TYR 43 Cb -0.05 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.44 1gd4 s TYR 43 CO 0.10 -1.02 0.00 1.63 -2.51 0.00 0.00 175.55 173.76 1gd4 n LYS 44 N -0.42 0.49 -3.46 -3.49 4.01 0.35 -1.97 118.16 113.67 1gd4 n LYS 44 Ca -0.10 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.56 1gd4 n LYS 44 Cb 0.62 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.10 1gd4 n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1gd4 s THR 45 N -1.73 0.00 0.21 -0.18 -4.23 -1.26 -1.56 115.64 106.90 1gd4 s THR 45 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1gd4 s THR 45 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1gd4 s THR 45 CO 0.00 -0.01 0.13 -1.58 -0.54 0.00 0.00 174.62 172.63 1gd4 s GLN 46 N -2.83 1.25 -0.19 3.99 0.74 -1.18 0.10 119.66 121.55 1gd4 s GLN 46 Ca -0.03 -1.66 0.00 0.00 0.05 0.00 0.00 55.36 53.72 1gd4 s GLN 46 Cb -0.01 0.22 0.04 0.00 1.10 0.00 0.00 33.01 34.37 1gd4 s GLN 46 CO -0.05 -0.40 -0.08 0.08 -0.55 0.00 0.00 175.29 174.30 1gd4 s VAL 47 N -4.09 1.42 0.00 1.34 1.01 -1.26 -3.03 120.40 115.79 1gd4 s VAL 47 Ca 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1gd4 s VAL 47 Cb 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1gd4 s VAL 47 CO 0.13 0.14 0.00 0.52 0.00 0.00 0.00 175.10 175.89 1gd4 n VAL 48 N 4.76 0.00 -1.02 2.92 0.31 -1.26 -4.94 118.33 119.11 1gd4 n VAL 48 Ca -0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.97 1gd4 n VAL 48 Cb 0.47 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.31 1gd4 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gd4 n ALA 49 N -3.00 6.28 0.00 3.52 0.00 -1.26 -4.74 120.51 121.30 1gd4 n ALA 49 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1gd4 n ALA 49 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1gd4 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gd4 n GLY 50 N 3.07 0.27 2.85 0.00 0.00 -1.25 -4.10 105.19 106.03 1gd4 n GLY 50 Ca 0.53 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1gd4 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gd4 s THR 51 N -0.85 -0.10 0.51 2.61 -1.32 0.48 -4.65 115.64 112.33 1gd4 s THR 51 Ca 0.00 0.24 0.05 0.00 -1.21 0.00 0.00 61.69 60.78 1gd4 s THR 51 Cb 0.00 -0.20 0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1gd4 s THR 51 CO 0.00 0.10 0.30 0.20 -2.21 0.00 0.00 174.62 173.01 1gd4 s ASN 52 N 1.44 4.54 -0.09 8.08 0.01 -1.17 0.23 114.94 127.98 1gd4 s ASN 52 Ca -0.06 -1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 50.79 1gd4 s ASN 52 Cb -0.12 0.25 0.05 0.00 0.41 0.00 0.00 41.25 41.84 1gd4 s ASN 52 CO -0.05 -0.96 0.19 -0.31 -1.51 0.00 0.00 177.10 174.46 1gd4 s TYR 53 N -2.75 -0.24 -0.10 2.20 1.51 0.59 -3.07 117.35 115.49 1gd4 s TYR 53 Ca 0.31 0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 56.96 1gd4 s TYR 53 Cb -0.01 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1gd4 s TYR 53 CO 0.19 -0.24 0.14 0.71 -1.11 0.00 0.00 175.55 175.24 1gd4 s TYR 54 N 1.70 3.58 -0.05 2.71 2.02 -0.60 -1.24 117.35 125.47 1gd4 s TYR 54 Ca -0.04 0.49 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 1gd4 s TYR 54 Cb -0.12 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1gd4 s TYR 54 CO -0.07 0.72 -0.09 0.42 -1.57 0.00 0.00 175.55 174.96 1gd4 s ILE 55 N -1.08 0.87 -1.19 2.71 -1.09 -1.13 0.13 121.20 120.42 1gd4 s ILE 55 Ca 0.17 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 1gd4 s ILE 55 Cb -0.12 -0.81 0.20 0.00 -1.58 0.00 0.00 42.46 40.15 1gd4 s ILE 55 CO 0.06 0.29 1.37 1.17 -1.23 0.00 0.00 174.94 176.60 1gd4 n LYS 56 N 3.71 3.42 -4.09 2.79 4.81 0.06 -3.12 118.16 125.74 1gd4 n LYS 56 Ca -0.22 -3.99 -0.31 0.00 -0.87 0.00 0.00 58.31 52.92 1gd4 n LYS 56 Cb 0.52 -2.92 -0.07 0.00 0.02 0.00 0.00 35.03 32.58 1gd4 n LYS 56 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1gd4 s VAL 57 N 0.86 4.37 0.31 3.15 0.11 -0.98 -2.45 120.40 125.77 1gd4 s VAL 57 Ca 0.40 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1gd4 s VAL 57 Cb -0.04 -3.08 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 1gd4 s VAL 57 CO -0.02 0.15 0.28 -0.60 -3.33 0.00 0.00 175.10 171.58 1gd4 s ARG 58 N -2.28 2.82 -0.13 1.54 3.52 -0.82 0.11 118.95 123.72 1gd4 s ARG 58 Ca 0.27 -1.20 0.21 0.00 -0.13 0.00 0.00 55.73 54.88 1gd4 s ARG 58 Cb -0.12 -2.53 0.45 0.00 -1.56 0.00 0.00 34.95 31.19 1gd4 s ARG 58 CO 0.20 0.19 1.17 0.00 -0.81 0.00 0.00 175.30 176.04 1gd4 n ALA 59 N -1.34 2.91 0.00 6.12 0.00 -1.15 -2.26 120.51 124.80 1gd4 n ALA 59 Ca -0.04 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1gd4 n ALA 59 Cb 0.59 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1gd4 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gd4 n GLY 60 N -0.18 -0.44 0.60 0.00 0.00 -1.26 -4.97 105.19 98.94 1gd4 n GLY 60 Ca 0.12 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.71 1gd4 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gd4 n ASP 61 N 0.00 -0.04 -1.10 1.61 2.03 -1.26 -4.90 116.55 112.89 1gd4 n ASP 61 Ca 0.00 -1.46 -0.02 0.00 0.52 0.00 0.00 54.79 53.83 1gd4 n ASP 61 Cb 0.00 -0.05 -0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1gd4 n ASP 61 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1gd4 n ASN 62 N 0.03 -0.44 -3.58 1.67 3.02 -1.26 -5.14 115.26 109.56 1gd4 n ASN 62 Ca -0.02 -0.99 -0.17 0.00 -0.03 0.00 0.00 54.58 53.37 1gd4 n ASN 62 Cb 0.62 0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.88 1gd4 n ASN 62 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gd4 s LYS 63 N 0.02 0.95 0.10 3.52 1.02 -1.26 -4.63 119.74 119.45 1gd4 s LYS 63 Ca 0.01 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.37 1gd4 s LYS 63 Cb 0.06 0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 37.77 1gd4 s LYS 63 CO -0.02 -0.26 -0.09 0.71 -0.92 0.00 0.00 175.35 174.77 1gd4 s TYR 64 N -0.89 1.03 -0.05 3.18 2.02 0.61 -2.94 117.35 120.30 1gd4 s TYR 64 Ca -0.09 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.87 1gd4 s TYR 64 Cb -0.02 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 1gd4 s TYR 64 CO 0.07 -0.03 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.47 1gd4 s LEU 65 N -2.71 1.18 -0.35 -1.29 1.02 0.30 -3.07 118.68 113.77 1gd4 s LEU 65 Ca 0.09 -0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 1gd4 s LEU 65 Cb 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 46.19 45.74 1gd4 s LEU 65 CO -0.01 -0.08 0.19 -1.00 0.02 0.00 0.00 176.35 175.46 1gd4 s HIS 66 N 1.16 3.21 0.31 0.29 3.76 -0.56 -2.32 115.29 121.14 1gd4 s HIS 66 Ca -0.07 -0.76 0.05 0.00 -0.15 0.00 0.00 55.06 54.13 1gd4 s HIS 66 Cb -0.14 -2.41 -0.02 0.00 1.11 0.00 0.00 32.58 31.13 1gd4 s HIS 66 CO -0.01 -0.55 0.45 -0.48 -0.85 0.00 0.00 174.74 173.29 1gd4 s LEU 67 N 1.59 4.10 -0.51 0.89 2.34 -1.18 0.92 118.68 126.82 1gd4 s LEU 67 Ca 0.03 0.02 0.03 0.00 0.06 0.00 0.00 54.13 54.28 1gd4 s LEU 67 Cb -0.18 -2.89 0.15 0.00 -0.56 0.00 0.00 46.19 42.71 1gd4 s LEU 67 CO 0.07 -0.29 0.32 -0.75 -1.06 0.00 0.00 176.35 174.64 1gd4 s LYS 68 N -4.14 1.59 -0.06 1.48 2.47 0.49 -2.82 119.74 118.76 1gd4 s LYS 68 Ca 0.40 -2.43 -0.30 0.00 -1.56 0.00 0.00 55.97 52.08 1gd4 s LYS 68 Cb -0.09 -2.56 -0.02 0.00 -1.46 0.00 0.00 37.83 33.70 1gd4 s LYS 68 CO 0.31 -1.23 1.01 0.08 0.16 0.00 0.00 175.35 175.69 1gd4 s VAL 69 N -0.23 4.76 -0.06 4.02 1.01 -0.37 -2.91 120.40 126.63 1gd4 s VAL 69 Ca 0.22 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.26 1gd4 s VAL 69 Cb -0.14 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 1gd4 s VAL 69 CO -0.08 0.06 -0.20 0.12 0.00 0.00 0.00 175.10 175.00 1gd4 s PHE 70 N 1.64 2.05 0.01 5.22 5.36 -1.24 0.22 117.98 131.25 1gd4 s PHE 70 Ca 0.50 -0.63 0.08 0.00 -0.96 0.00 0.00 56.93 55.92 1gd4 s PHE 70 Cb -0.20 -1.37 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1gd4 s PHE 70 CO 0.22 -0.22 -0.23 0.21 -1.46 0.00 0.00 175.22 173.74 1gd4 s LYS 71 N 0.03 2.03 0.00 10.12 2.20 0.63 0.29 119.74 135.03 1gd4 s LYS 71 Ca -0.06 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1gd4 s LYS 71 Cb -0.13 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1gd4 s LYS 71 CO 0.03 0.54 0.00 0.45 -0.36 0.00 0.00 175.35 176.02 1gd4 n SER 72 N 1.98 0.00 0.00 1.43 2.88 -1.26 0.18 113.62 118.83 1gd4 n SER 72 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1gd4 n SER 72 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1gd4 n SER 72 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1gd4 n LEU 73 N 0.00 0.00 0.03 2.46 0.00 -1.26 -4.41 117.00 113.82 1gd4 n LEU 73 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.11 1gd4 n LEU 73 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 43.42 43.83 1gd4 n LEU 73 CO 0.00 0.00 0.81 -0.81 0.00 0.00 0.00 177.39 177.39 1gd4 n PRO 74 N 0.00 0.06 -2.68 1.96 -0.04 -1.26 -3.17 135.00 129.86 1gd4 n PRO 74 Ca 0.00 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1gd4 n PRO 74 Cb 0.00 -1.60 0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1gd4 n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gd4 n GLY 75 N 0.39 1.43 0.14 0.55 0.00 -1.26 -4.99 105.19 101.46 1gd4 n GLY 75 Ca 0.04 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1gd4 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gd4 n GLN 76 N -0.38 -0.03 -0.16 1.61 10.64 -1.19 -0.85 117.38 127.02 1gd4 n GLN 76 Ca 0.02 0.61 0.08 0.00 -1.83 0.00 0.00 57.00 55.89 1gd4 n GLN 76 Cb 0.84 -1.03 0.16 0.00 -0.86 0.00 0.00 30.24 29.34 1gd4 n GLN 76 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1gd4 n ASN 77 N -4.22 -0.02 0.00 2.61 6.94 -1.26 -0.67 115.26 118.64 1gd4 n ASN 77 Ca 0.13 0.78 0.00 0.00 -0.02 0.00 0.00 54.58 55.47 1gd4 n ASN 77 Cb 0.43 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1gd4 n ASN 77 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1gd4 n GLU 78 N -4.44 0.00 -1.71 -3.83 0.28 -0.03 -5.03 120.64 105.88 1gd4 n GLU 78 Ca 0.12 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1gd4 n GLU 78 Cb 0.39 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1gd4 n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1gd4 n ASP 79 N -1.40 -7.09 -3.37 -1.84 9.92 0.16 -4.30 116.55 108.64 1gd4 n ASP 79 Ca 0.00 1.17 -0.17 0.00 -0.53 0.00 0.00 54.79 55.26 1gd4 n ASP 79 Cb 0.00 -4.34 -0.05 0.00 -0.64 0.00 0.00 41.12 36.09 1gd4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gd4 n LEU 80 N -0.11 -0.48 -4.46 0.64 -0.00 -0.25 -4.78 117.00 107.56 1gd4 n LEU 80 Ca 0.00 -0.65 -0.44 0.00 -0.00 0.00 0.00 56.01 54.92 1gd4 n LEU 80 Cb 0.00 -0.81 -0.01 0.00 -0.00 0.00 0.00 43.42 42.60 1gd4 n LEU 80 CO 0.00 0.21 1.24 -0.69 -0.00 0.00 0.00 177.39 178.15 1gd4 s VAL 81 N -3.47 4.96 -0.76 1.47 1.01 0.82 -4.57 120.40 119.87 1gd4 s VAL 81 Ca 0.07 -2.32 -0.26 0.00 0.00 0.00 0.00 61.98 59.47 1gd4 s VAL 81 Cb -0.04 -4.86 -0.12 0.00 0.00 0.00 0.00 36.38 31.36 1gd4 s VAL 81 CO 0.51 -1.57 2.38 -0.22 0.00 0.00 0.00 175.10 176.20 1gd4 s LEU 82 N 1.85 2.94 0.00 3.92 0.20 -1.26 -3.62 118.68 122.72 1gd4 s LEU 82 Ca 0.39 0.14 0.23 0.00 0.69 0.00 0.00 54.13 55.58 1gd4 s LEU 82 Cb -0.04 -2.54 0.66 0.00 -0.43 0.00 0.00 46.19 43.84 1gd4 s LEU 82 CO -0.03 -3.70 1.52 0.41 -0.29 0.00 0.00 176.35 174.25 1gd4 n THR 83 N 8.64 0.20 -4.07 3.68 -1.04 -1.14 -4.86 114.28 115.69 1gd4 n THR 83 Ca 0.45 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.05 61.93 1gd4 n THR 83 Cb 0.45 0.68 -0.11 0.00 -1.82 0.00 0.00 70.33 69.53 1gd4 n THR 83 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1gd4 s GLY 84 N -1.70 0.48 0.00 3.41 0.00 -1.21 -5.02 107.32 103.29 1gd4 s GLY 84 Ca 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1gd4 s GLY 84 CO 0.29 -1.04 0.00 1.58 0.00 0.00 0.00 173.10 173.93 1gd4 n TYR 85 N 0.82 0.00 -3.53 1.90 0.18 -1.26 0.19 117.16 115.46 1gd4 n TYR 85 Ca -0.19 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.42 1gd4 n TYR 85 Cb 0.58 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.48 1gd4 n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1gd4 s GLN 86 N -2.00 1.03 0.27 -3.48 -0.21 0.26 -4.91 119.66 110.62 1gd4 s GLN 86 Ca 0.00 0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.69 1gd4 s GLN 86 Cb 0.00 0.48 -0.03 0.00 1.00 0.00 0.00 33.01 34.47 1gd4 s GLN 86 CO 0.00 -0.31 0.25 0.14 -2.12 0.00 0.00 175.29 173.25 1gd4 s VAL 87 N -1.09 0.00 -0.87 1.09 -7.23 -1.26 -1.49 120.40 109.55 1gd4 s VAL 87 Ca -0.10 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1gd4 s VAL 87 Cb -0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1gd4 s VAL 87 CO 0.09 0.00 0.61 -0.90 -0.31 0.00 0.00 175.10 174.59 1gd4 n ASP 88 N -0.86 -4.71 -3.93 4.85 5.75 -1.25 -4.92 116.55 111.48 1gd4 n ASP 88 Ca 0.03 -1.02 -0.09 0.00 -0.01 0.00 0.00 54.79 53.70 1gd4 n ASP 88 Cb 0.64 -1.59 -0.09 0.00 -1.03 0.00 0.00 41.12 39.05 1gd4 n ASP 88 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gd4 s LYS 89 N -5.23 0.63 0.00 0.11 1.02 -1.17 -4.95 119.74 110.15 1gd4 s LYS 89 Ca 0.05 -0.82 0.16 0.00 0.02 0.00 0.00 55.97 55.37 1gd4 s LYS 89 Cb -0.03 0.25 0.26 0.00 -0.52 0.00 0.00 37.83 37.79 1gd4 s LYS 89 CO 0.91 -0.16 1.08 -1.71 -0.92 0.00 0.00 175.35 174.54 1gd4 n ASN 90 N 0.58 0.40 0.00 2.83 5.15 -1.26 -0.28 115.26 122.68 1gd4 n ASN 90 Ca -0.18 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 51.85 1gd4 n ASN 90 Cb 0.59 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1gd4 n ASN 90 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1gd4 n LYS 91 N 0.30 0.00 -0.58 1.20 4.81 -1.26 -4.92 118.16 117.71 1gd4 n LYS 91 Ca -0.02 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.49 1gd4 n LYS 91 Cb 0.96 -0.32 0.17 0.00 0.02 0.00 0.00 35.03 35.85 1gd4 n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1gd4 n ASP 92 N -0.94 1.71 -2.85 3.14 2.03 -1.26 -4.78 116.55 113.60 1gd4 n ASP 92 Ca 0.00 -3.45 -0.36 0.00 0.52 0.00 0.00 54.79 51.50 1gd4 n ASP 92 Cb 0.00 -0.47 0.02 0.00 -0.72 0.00 0.00 41.12 39.95 1gd4 n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1gd4 n ASP 93 N -0.97 6.65 -4.47 1.67 -0.08 -1.26 -4.03 116.55 114.06 1gd4 n ASP 93 Ca 0.16 -3.79 -0.37 0.00 -1.51 0.00 0.00 54.79 49.29 1gd4 n ASP 93 Cb 0.73 -0.89 -0.12 0.00 2.34 0.00 0.00 41.12 43.17 1gd4 n ASP 93 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1gd4 s GLU 94 N -3.93 3.70 4.10 -0.67 -1.05 -1.26 -4.85 118.70 114.73 1gd4 s GLU 94 Ca 0.50 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1gd4 s GLU 94 Cb 0.40 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 1gd4 s GLU 94 CO -0.33 -0.17 0.00 -0.11 0.95 0.00 0.00 175.26 175.61 1gd4 n LEU 95 N 4.88 0.00 -0.00 1.83 7.94 -1.26 -2.92 117.00 127.47 1gd4 n LEU 95 Ca -0.16 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.75 1gd4 n LEU 95 Cb 0.51 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 1gd4 n LEU 95 CO 0.31 0.00 -0.50 0.41 -1.11 0.00 0.00 177.39 176.50 1gd4 n THR 96 N 0.00 0.00 0.43 1.96 -1.04 -1.26 -4.58 114.28 109.79 1gd4 n THR 96 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1gd4 n THR 96 Cb 0.00 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1gd4 n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gd4 n GLY 97 N 2.36 0.06 0.00 3.41 0.00 -1.15 -5.14 105.19 104.73 1gd4 n GLY 97 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1gd4 n GLY 97 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29