#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgv s GLU 14 N 0.00 1.39 -0.03 5.56 2.12 -0.84 -1.41 118.70 125.48 3fgv s GLU 14 Ca 0.00 -1.34 0.05 0.00 0.36 0.00 0.00 54.97 54.04 3fgv s GLU 14 Cb 0.00 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.51 3fgv s GLU 14 CO 0.00 0.44 -0.17 0.08 -0.54 0.00 0.00 175.26 175.07 3fgv s VAL 15 N -1.07 1.39 -0.09 3.70 1.01 -0.14 -0.42 120.40 124.78 3fgv s VAL 15 Ca 0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3fgv s VAL 15 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3fgv s VAL 15 CO 0.06 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 3fgv s VAL 16 N -0.12 3.71 -0.14 2.92 1.01 -0.22 -0.32 120.40 127.24 3fgv s VAL 16 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3fgv s VAL 16 Cb -0.10 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3fgv s VAL 16 CO 0.01 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 174.86 3fgv s ILE 17 N -0.47 1.90 -0.15 2.22 1.01 -0.35 -1.60 121.20 123.76 3fgv s ILE 17 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3fgv s ILE 17 Cb -0.12 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3fgv s ILE 17 CO 0.02 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.61 3fgv s VAL 18 N 0.99 1.82 -0.20 2.92 1.01 0.27 -1.36 120.40 125.84 3fgv s VAL 18 Ca -0.04 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3fgv s VAL 18 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3fgv s VAL 18 CO -0.04 0.50 0.05 -0.54 0.00 0.00 0.00 175.10 175.07 3fgv s LYS 19 N 1.18 3.80 -0.00 2.72 1.02 0.08 -0.93 119.74 127.61 3fgv s LYS 19 Ca 0.00 -0.42 0.06 0.00 0.02 0.00 0.00 55.97 55.62 3fgv s LYS 19 Cb -0.14 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3fgv s LYS 19 CO -0.08 0.09 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.15 3fgv s SER 20 N 0.84 3.81 -0.38 2.83 0.01 0.50 -1.52 113.70 119.78 3fgv s SER 20 Ca 0.03 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.99 3fgv s SER 20 Cb -0.14 -0.68 0.11 0.00 0.21 0.00 0.00 66.02 65.52 3fgv s SER 20 CO 0.02 0.30 0.11 -0.89 0.41 0.00 0.00 173.24 173.19 3fgv s THR 21 N -0.81 2.19 0.63 1.44 2.01 -1.26 -1.50 115.64 118.34 3fgv s THR 21 Ca 0.13 -2.50 -0.17 0.00 0.31 0.00 0.00 61.69 59.46 3fgv s THR 21 Cb -0.10 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3fgv s THR 21 CO 0.03 -0.66 1.18 -2.84 -0.69 0.00 0.00 174.62 171.63 3fgv s PRO 22 N 0.67 2.78 0.61 4.92 0.02 -1.26 -0.79 135.00 141.96 3fgv s PRO 22 Ca 0.13 1.70 -0.19 0.00 0.02 0.00 0.00 61.00 62.65 3fgv s PRO 22 Cb -0.21 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3fgv s PRO 22 CO -0.07 -1.32 1.18 1.04 -0.33 0.00 0.00 177.00 177.50 3fgv n GLN 23 N -1.99 1.15 -1.61 5.54 6.02 0.93 -4.39 117.38 123.03 3fgv n GLN 23 Ca 0.13 0.44 -0.52 0.00 -0.01 0.00 0.00 57.00 57.04 3fgv n GLN 23 Cb 0.50 -2.40 -0.06 0.00 1.02 0.00 0.00 30.24 29.30 3fgv n GLN 23 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3fgv n ARG 24 N -1.37 1.28 -0.64 -1.09 0.63 -1.26 -1.56 116.66 112.64 3fgv n ARG 24 Ca 0.14 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 3fgv n ARG 24 Cb 0.47 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.26 3fgv n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fgv n GLY 25 N 2.73 1.25 0.22 5.14 0.00 -1.26 -4.89 105.19 108.38 3fgv n GLY 25 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 3fgv n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fgv n LYS 26 N -2.00 2.04 0.15 1.61 5.02 -0.60 -4.80 118.16 119.58 3fgv n LYS 26 Ca 0.00 -2.34 -0.14 0.00 -2.02 0.00 0.00 58.31 53.81 3fgv n LYS 26 Cb 0.00 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3fgv n LYS 26 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3fgv h PHE 27 N 0.42 -0.27 -0.28 2.13 3.04 -1.91 0.05 116.94 120.11 3fgv h PHE 27 Ca 0.00 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 3fgv h PHE 27 Cb 0.94 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 3fgv h PHE 27 CO 0.09 -0.16 -0.42 -0.91 -2.02 0.00 0.00 178.31 174.89 3fgv h ASN 28 N -0.31 0.74 -0.71 0.41 2.35 -1.96 -1.01 115.58 115.09 3fgv h ASN 28 Ca -0.03 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3fgv h ASN 28 Cb 0.24 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3fgv h ASN 28 CO 0.05 1.06 0.38 0.00 -1.65 0.00 0.00 177.43 177.27 3fgv h ALA 29 N 0.97 0.91 -0.63 -0.83 0.00 -1.87 -2.11 119.26 115.70 3fgv h ALA 29 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3fgv h ALA 29 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fgv h ALA 29 CO 0.09 0.44 0.03 0.35 0.00 0.00 0.00 179.25 180.16 3fgv h PHE 30 N 0.98 1.18 -0.92 0.00 3.57 -0.72 -1.97 116.94 119.07 3fgv h PHE 30 Ca 0.25 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3fgv h PHE 30 Cb 0.06 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 3fgv h PHE 30 CO -0.00 1.02 0.60 0.00 -2.23 0.00 0.00 178.31 177.70 3fgv h ALA 31 N 1.01 1.41 -0.33 2.41 0.00 -0.86 0.95 119.26 123.86 3fgv h ALA 31 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fgv h ALA 31 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fgv h ALA 31 CO 0.03 0.50 0.04 0.93 0.00 0.00 0.00 179.25 180.74 3fgv h GLU 32 N 1.16 0.56 0.18 0.00 5.08 -1.05 -1.15 114.58 119.35 3fgv h GLU 32 Ca 0.36 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3fgv h GLU 32 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3fgv h GLU 32 CO -0.11 0.66 -0.09 1.25 -1.00 0.00 0.00 179.01 179.73 3fgv h LEU 33 N 0.38 -0.20 -1.09 1.33 6.46 -0.87 -3.12 115.31 118.20 3fgv h LEU 33 Ca 0.10 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 3fgv h LEU 33 Cb 0.38 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3fgv h LEU 33 CO 0.01 -0.02 -0.44 1.62 -0.62 0.00 0.00 178.44 178.99 3fgv h VAL 34 N -0.37 1.24 -0.96 1.05 3.04 -0.84 -2.62 116.25 116.79 3fgv h VAL 34 Ca -0.02 -1.54 0.05 0.00 -1.01 0.00 0.00 66.70 64.17 3fgv h VAL 34 Cb 0.29 1.85 -0.06 0.00 -2.01 0.00 0.00 31.29 31.36 3fgv h VAL 34 CO 0.04 0.43 0.63 1.23 -1.01 0.00 0.00 177.57 178.89 3fgv h GLY 35 N 1.46 1.41 1.08 3.17 0.00 -1.15 0.86 103.07 109.91 3fgv h GLY 35 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3fgv h GLY 35 CO 0.06 0.38 0.02 0.50 0.00 0.00 0.00 176.54 177.50 3fgv h LYS 36 N 1.19 1.09 -0.55 4.80 1.57 -1.41 -1.85 116.57 121.40 3fgv h LYS 36 Ca 0.39 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3fgv h LYS 36 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3fgv h LYS 36 CO -0.13 1.05 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.70 3fgv h LEU 37 N 1.00 0.94 -0.77 2.94 3.38 -1.21 -1.98 115.31 119.62 3fgv h LEU 37 Ca 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3fgv h LEU 37 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3fgv h LEU 37 CO 0.03 1.01 0.28 0.58 0.09 0.00 0.00 178.44 180.43 3fgv h VAL 38 N 0.88 1.26 -0.79 1.22 2.07 -0.68 -0.75 116.25 119.45 3fgv h VAL 38 Ca 0.16 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3fgv h VAL 38 Cb 0.56 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3fgv h VAL 38 CO 0.03 0.35 0.35 0.28 0.02 0.00 0.00 177.57 178.60 3fgv h SER 39 N 1.13 1.06 -0.50 0.57 0.02 -1.08 0.43 113.55 115.19 3fgv h SER 39 Ca 0.25 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3fgv h SER 39 Cb 0.26 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3fgv h SER 39 CO -0.02 0.92 0.25 -0.33 -1.14 0.00 0.00 176.83 176.52 3fgv h GLU 40 N 1.13 0.71 -0.48 3.45 5.08 -0.94 -3.10 114.58 120.43 3fgv h GLU 40 Ca 0.27 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3fgv h GLU 40 Cb 0.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3fgv h GLU 40 CO -0.03 0.58 0.15 1.15 -1.00 0.00 0.00 179.01 179.86 3fgv h THR 41 N 0.66 1.23 -0.94 1.13 2.02 -0.76 -2.81 112.91 113.44 3fgv h THR 41 Ca 0.17 -0.77 0.18 0.00 0.77 0.00 0.00 66.41 66.77 3fgv h THR 41 Cb 0.10 0.82 -0.11 0.00 -1.74 0.00 0.00 68.15 67.22 3fgv h THR 41 CO -0.02 0.28 0.52 -0.09 0.37 0.00 0.00 175.52 176.58 3fgv h ARG 42 N 0.64 0.63 -0.56 6.66 2.43 -0.84 -1.60 114.38 121.73 3fgv h ARG 42 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3fgv h ARG 42 Cb 0.28 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3fgv h ARG 42 CO -0.00 0.42 0.00 -0.25 -1.51 0.00 0.00 179.97 178.63 3fgv n ASP 43 N -4.85 3.94 -4.77 -3.80 8.00 -1.20 -4.62 116.55 109.25 3fgv n ASP 43 Ca 0.21 -2.23 -0.38 0.00 0.71 0.00 0.00 54.79 53.10 3fgv n ASP 43 Cb 0.55 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3fgv n ASP 43 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fgv s PHE 44 N -1.42 3.02 0.14 1.24 5.36 -0.61 -4.92 117.98 120.79 3fgv s PHE 44 Ca 0.42 1.54 -0.34 0.00 -0.96 0.00 0.00 56.93 57.59 3fgv s PHE 44 Cb 0.25 -3.41 -0.14 0.00 -0.34 0.00 0.00 43.02 39.38 3fgv s PHE 44 CO 0.24 -1.39 1.55 -0.35 -1.46 0.00 0.00 175.22 173.80 3fgv n PRO 45 N -0.02 1.97 -0.03 10.12 -0.04 -1.26 -1.67 135.00 144.06 3fgv n PRO 45 Ca 0.05 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3fgv n PRO 45 Cb 0.47 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3fgv n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgv n GLY 46 N 3.29 1.28 3.67 0.55 0.00 -1.26 -4.87 105.19 107.85 3fgv n GLY 46 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fgv n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgv n LEU 48 N 5.42 0.78 0.00 0.00 4.77 0.60 -4.83 117.00 123.74 3fgv n LEU 48 Ca 0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3fgv n LEU 48 Cb 0.48 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3fgv n LEU 48 CO 0.51 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3fgv n GLY 49 N 1.49 2.13 3.01 -0.72 0.00 -1.24 -4.92 105.19 104.93 3fgv n GLY 49 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3fgv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgv s ALA 50 N -1.93 -0.34 -0.01 4.61 0.00 -1.26 -1.15 121.76 121.68 3fgv s ALA 50 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3fgv s ALA 50 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3fgv s ALA 50 CO 0.00 -0.08 -0.04 0.71 0.00 0.00 0.00 175.76 176.35 3fgv s TYR 51 N 0.26 0.44 0.45 0.00 1.51 -1.26 -4.95 117.35 113.80 3fgv s TYR 51 Ca -0.02 -0.08 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 3fgv s TYR 51 Cb -0.03 -0.34 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 3fgv s TYR 51 CO -0.01 -0.04 0.24 -1.17 -1.11 0.00 0.00 175.55 173.46 3fgv s LEU 52 N 0.16 3.01 -0.29 -1.29 2.96 -1.26 -4.27 118.68 117.70 3fgv s LEU 52 Ca -0.01 -1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 52.57 3fgv s LEU 52 Cb -0.05 -1.42 0.18 0.00 0.50 0.00 0.00 46.19 45.40 3fgv s LEU 52 CO -0.00 -0.70 1.28 -0.76 -1.32 0.00 0.00 176.35 174.85 3fgv s LEU 54 N -4.02 -0.17 -0.45 -0.68 1.43 -1.26 -5.00 118.68 108.54 3fgv s LEU 54 Ca 0.38 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 3fgv s LEU 54 Cb 0.01 1.30 0.18 0.00 0.03 0.00 0.00 46.19 47.71 3fgv s LEU 54 CO 0.22 -0.05 0.38 0.00 0.23 0.00 0.00 176.35 177.13 3fgv n ALA 55 N 2.29 2.91 -0.29 4.21 0.00 -0.17 -5.01 120.51 124.45 3fgv n ALA 55 Ca -0.13 -3.32 0.09 0.00 0.00 0.00 0.00 53.44 50.08 3fgv n ALA 55 Cb 0.57 -0.79 0.32 0.00 0.00 0.00 0.00 19.45 19.55 3fgv n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fgv h PRO 56 N 5.43 0.79 0.00 0.00 0.13 -1.97 -1.20 132.00 135.18 3fgv h PRO 56 Ca 0.24 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3fgv h PRO 56 Cb 0.88 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3fgv h PRO 56 CO 0.43 0.52 -0.08 1.05 -0.23 0.00 0.00 178.00 179.69 3fgv h GLU 57 N 0.81 0.00 -0.27 0.86 9.09 -1.95 -1.38 114.58 121.74 3fgv h GLU 57 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3fgv h GLU 57 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3fgv h GLU 57 CO -0.20 0.08 0.00 0.54 0.05 0.00 0.00 179.01 179.48 3fgv n ARG 58 N -3.27 2.44 -3.98 1.06 1.74 -0.51 -4.98 116.66 109.16 3fgv n ARG 58 Ca -0.00 -2.16 -0.27 0.00 -0.77 0.00 0.00 57.85 54.65 3fgv n ARG 58 Cb 0.30 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3fgv n ARG 58 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3fgv n ASN 59 N 1.43 -1.11 -4.06 0.55 5.15 -0.52 -4.98 115.26 111.71 3fgv n ASN 59 Ca 0.18 -0.98 -0.23 0.00 -0.60 0.00 0.00 54.58 52.94 3fgv n ASN 59 Cb 0.60 -3.12 -0.16 0.00 -0.53 0.00 0.00 39.78 36.57 3fgv n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3fgv s GLU 60 N -6.58 1.41 -0.02 1.20 2.02 -1.01 -4.17 118.70 111.55 3fgv s GLU 60 Ca 0.16 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.74 3fgv s GLU 60 Cb -0.09 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.89 3fgv s GLU 60 CO 0.89 0.16 -0.13 -0.65 0.02 0.00 0.00 175.26 175.54 3fgv s GLN 61 N 0.18 1.18 -0.04 1.61 -0.21 -0.56 -1.00 119.66 120.82 3fgv s GLN 61 Ca -0.05 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.89 3fgv s GLN 61 Cb -0.11 -1.11 0.00 0.00 1.00 0.00 0.00 33.01 32.79 3fgv s GLN 61 CO 0.02 0.25 -0.14 0.08 -2.12 0.00 0.00 175.29 173.38 3fgv s VAL 62 N -0.16 1.18 0.39 1.09 1.01 -1.26 -0.37 120.40 122.28 3fgv s VAL 62 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3fgv s VAL 62 Cb -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3fgv s VAL 62 CO 0.00 0.35 0.20 0.52 0.00 0.00 0.00 175.10 176.17 3fgv n VAL 63 N 3.36 0.00 0.00 2.92 0.31 -0.11 -4.37 118.33 120.44 3fgv n VAL 63 Ca -0.19 -1.63 0.00 0.00 -0.01 0.00 0.00 64.34 62.51 3fgv n VAL 63 Cb 0.53 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 3fgv n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fgv n HIS 65 N -1.26 0.00 -4.77 3.52 1.44 -0.63 -0.56 115.22 112.96 3fgv n HIS 65 Ca -0.06 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.32 3fgv n HIS 65 Cb 0.46 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 3fgv n HIS 65 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3fgv s ILE 66 N -1.87 3.30 -0.05 0.61 1.01 -0.30 -1.06 121.20 122.84 3fgv s ILE 66 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3fgv s ILE 66 Cb 0.00 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 3fgv s ILE 66 CO 0.00 0.58 -0.16 0.26 0.00 0.00 0.00 174.94 175.62 3fgv s TRP 67 N -0.54 1.66 0.35 3.97 0.52 0.44 -0.29 118.94 125.05 3fgv s TRP 67 Ca 0.08 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.75 3fgv s TRP 67 Cb -0.12 -1.14 0.64 0.00 -1.15 0.00 0.00 33.47 31.71 3fgv s TRP 67 CO 0.02 -0.19 1.87 1.49 0.02 0.00 0.00 176.95 180.16 3fgv h GLU 68 N 6.38 0.42 -3.88 4.98 4.57 -1.26 -2.24 114.58 123.56 3fgv h GLU 68 Ca -0.32 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.67 3fgv h GLU 68 Cb 1.18 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.56 3fgv h GLU 68 CO 0.48 0.51 -0.45 0.95 -1.18 0.00 0.00 179.01 179.31 3fgv s THR 69 N -4.83 0.16 0.46 0.32 -4.23 -1.26 -4.15 115.64 102.10 3fgv s THR 69 Ca -0.07 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.29 3fgv s THR 69 Cb 0.15 -1.30 0.29 0.00 1.34 0.00 0.00 72.50 72.98 3fgv s THR 69 CO 0.76 -0.71 2.07 -0.65 -0.54 0.00 0.00 174.62 175.55 3fgv h PRO 70 N 2.98 0.30 -0.34 3.99 0.11 -1.94 -2.61 132.00 134.48 3fgv h PRO 70 Ca -0.34 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.79 3fgv h PRO 70 Cb 1.18 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3fgv h PRO 70 CO 0.57 0.20 0.15 -0.44 -0.21 0.00 0.00 178.00 178.26 3fgv h ASP 71 N 0.31 0.20 -0.41 -2.05 3.32 -1.99 -0.70 116.42 115.10 3fgv h ASP 71 Ca 0.13 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3fgv h ASP 71 Cb 0.15 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3fgv h ASP 71 CO -0.03 0.15 0.15 0.00 -1.72 0.00 0.00 179.24 177.79 3fgv h ALA 72 N 1.19 0.53 -0.20 3.45 0.00 -1.84 -0.76 119.26 121.63 3fgv h ALA 72 Ca 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fgv h ALA 72 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3fgv h ALA 72 CO -0.12 0.16 0.05 1.25 0.00 0.00 0.00 179.25 180.58 3fgv h LEU 73 N 0.52 0.03 -0.96 0.00 5.85 -1.17 -2.01 115.31 117.56 3fgv h LEU 73 Ca 0.13 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3fgv h LEU 73 Cb 0.22 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fgv h LEU 73 CO -0.01 0.05 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.03 3fgv h GLU 74 N 0.14 0.72 -0.86 1.25 4.57 -0.90 -0.74 114.58 118.75 3fgv h GLU 74 Ca 0.09 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3fgv h GLU 74 Cb 0.08 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3fgv h GLU 74 CO -0.11 0.75 0.47 0.00 -1.18 0.00 0.00 179.01 178.94 3fgv h ALA 75 N 1.30 1.10 -0.22 2.92 0.00 -0.92 -1.35 119.26 122.10 3fgv h ALA 75 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fgv h ALA 75 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fgv h ALA 75 CO 0.02 0.61 0.11 -0.92 0.00 0.00 0.00 179.25 179.08 3fgv h TYR 76 N 1.20 0.30 -0.51 0.00 3.20 -0.73 -0.59 116.97 119.84 3fgv h TYR 76 Ca 0.30 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3fgv h TYR 76 Cb 0.03 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3fgv h TYR 76 CO 0.01 0.28 0.09 -0.07 -1.64 0.00 0.00 178.16 176.83 3fgv h LEU 77 N 0.24 0.75 -0.23 2.82 3.38 -0.84 -0.62 115.31 120.81 3fgv h LEU 77 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3fgv h LEU 77 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fgv h LEU 77 CO -0.01 0.76 -0.00 0.74 0.09 0.00 0.00 178.44 180.01 3fgv h THR 78 N 0.77 1.26 -0.78 0.22 2.02 -1.19 -2.84 112.91 112.36 3fgv h THR 78 Ca 0.16 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3fgv h THR 78 Cb 0.33 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3fgv h THR 78 CO 0.00 0.28 0.52 -0.25 0.37 0.00 0.00 175.52 176.44 3fgv h TRP 79 N 0.17 0.99 0.00 3.16 7.01 -0.72 -3.06 115.95 123.50 3fgv h TRP 79 Ca 0.06 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3fgv h TRP 79 Cb 0.42 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3fgv h TRP 79 CO 0.04 0.62 -0.21 0.07 -2.79 0.00 0.00 178.44 176.17 3fgv h ARG 80 N 1.06 0.00 -0.94 2.65 0.11 -1.13 -3.40 114.38 112.74 3fgv h ARG 80 Ca 0.29 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.47 3fgv h ARG 80 Cb -0.12 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 30.88 3fgv h ARG 80 CO -0.06 0.00 0.57 0.00 0.10 0.00 0.00 179.97 180.58 3fgv h ALA 81 N 2.39 1.37 -0.44 0.08 0.00 -1.39 -2.07 119.26 119.20 3fgv h ALA 81 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fgv h ALA 81 Cb 0.81 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fgv h ALA 81 CO 0.00 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 3fgv n ASP 82 N -4.65 3.27 -4.73 0.00 8.00 -1.26 -4.84 116.55 112.33 3fgv n ASP 82 Ca 0.17 -2.07 -0.41 0.00 0.71 0.00 0.00 54.79 53.18 3fgv n ASP 82 Cb 0.31 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3fgv n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fgv s ARG 83 N -1.13 4.66 0.24 -1.24 0.52 -0.78 -4.96 118.95 116.26 3fgv s ARG 83 Ca 0.31 1.39 -0.05 0.00 -0.52 0.00 0.00 55.73 56.85 3fgv s ARG 83 Cb 0.17 -3.38 0.33 0.00 0.52 0.00 0.00 34.95 32.59 3fgv s ARG 83 CO 0.19 0.21 1.86 0.78 0.02 0.00 0.00 175.30 178.36 3fgv h GLY 84 N 5.66 1.31 1.26 -3.53 0.00 -1.95 -1.01 103.07 104.83 3fgv h GLY 84 Ca -0.43 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 3fgv h GLY 84 CO 0.72 0.29 -0.24 1.29 0.00 0.00 0.00 176.54 178.60 3fgv h ASP 85 N 1.01 0.86 -0.57 0.19 2.03 -1.95 -0.72 116.42 117.26 3fgv h ASP 85 Ca 0.38 -0.32 -0.10 0.00 -0.73 0.00 0.00 57.03 56.25 3fgv h ASP 85 Cb 0.14 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 3fgv h ASP 85 CO -0.16 1.06 -0.03 -0.26 -1.03 0.00 0.00 179.24 178.81 3fgv h PHE 86 N 0.73 1.14 0.00 4.15 -1.00 -1.78 -2.98 116.94 117.19 3fgv h PHE 86 Ca 0.10 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.61 3fgv h PHE 86 Cb 0.77 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3fgv h PHE 86 CO 0.04 1.03 -0.24 -0.07 -1.61 0.00 0.00 178.31 177.46 3fgv h LEU 87 N 0.93 0.00 -2.11 1.54 3.38 -0.90 -2.96 115.31 115.19 3fgv h LEU 87 Ca 0.16 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3fgv h LEU 87 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3fgv h LEU 87 CO 0.04 0.24 0.15 -0.08 0.09 0.00 0.00 178.44 178.88 3fgv h GLU 88 N 0.00 0.00 -0.76 1.13 4.81 -0.97 -2.31 114.58 116.48 3fgv h GLU 88 Ca -0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 3fgv h GLU 88 Cb 0.50 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 3fgv h GLU 88 CO 0.03 0.00 0.51 -0.84 -0.73 0.00 0.00 179.01 177.98 3fgv h ILE 89 N 0.00 0.80 -0.73 2.32 -0.00 -1.65 -2.54 117.51 115.71 3fgv h ILE 89 Ca 0.09 -0.15 0.10 0.00 -0.00 0.00 0.00 64.86 64.91 3fgv h ILE 89 Cb 0.40 0.33 -0.05 0.00 -0.00 0.00 0.00 36.82 37.50 3fgv h ILE 89 CO -0.00 0.08 0.48 0.78 -0.00 0.00 0.00 178.15 179.49 3fgv h ASN 90 N 0.43 0.53 0.56 2.16 2.35 -1.64 -0.57 115.58 119.39 3fgv h ASN 90 Ca 0.37 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3fgv h ASN 90 Cb 0.84 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3fgv h ASN 90 CO -0.12 0.31 0.00 -0.33 -1.65 0.00 0.00 177.43 175.64 3fgv h GLU 91 N 0.59 0.00 -0.01 0.81 3.07 -1.66 -3.19 114.58 114.20 3fgv h GLU 91 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3fgv h GLU 91 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3fgv h GLU 91 CO -0.12 0.00 -0.29 0.66 -1.40 0.00 0.00 179.01 177.87 3fgv n TYR 92 N -2.49 0.00 -4.00 4.33 4.02 -0.24 -5.00 117.16 113.79 3fgv n TYR 92 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 3fgv n TYR 92 Cb 0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 3fgv n TYR 92 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fgv s LEU 93 N -1.87 4.15 0.04 7.72 1.43 -1.14 -0.05 118.68 128.95 3fgv s LEU 93 Ca 0.07 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3fgv s LEU 93 Cb 0.08 -2.41 -0.19 0.00 0.03 0.00 0.00 46.19 43.70 3fgv s LEU 93 CO 0.30 0.28 1.21 -0.08 0.23 0.00 0.00 176.35 178.30 3fgv h GLU 94 N 4.03 0.50 -4.62 1.70 4.81 -1.16 -3.42 114.58 116.42 3fgv h GLU 94 Ca -0.49 -0.42 -0.25 0.00 -0.13 0.00 0.00 59.36 58.07 3fgv h GLU 94 Cb 1.19 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.51 3fgv h GLU 94 CO 0.65 1.05 -0.63 0.14 -0.73 0.00 0.00 179.01 179.50 3fgv s VAL 95 N -3.63 0.13 0.47 0.32 -7.23 -1.26 -5.02 120.40 104.19 3fgv s VAL 95 Ca -0.13 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 3fgv s VAL 95 Cb 0.05 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 3fgv s VAL 95 CO 0.82 -0.09 1.30 1.21 -0.31 0.00 0.00 175.10 178.04 3fgv n GLU 96 N -0.27 1.86 -2.01 4.82 2.13 -1.26 -4.70 120.64 121.21 3fgv n GLU 96 Ca 0.00 0.67 -0.37 0.00 0.66 0.00 0.00 57.16 58.12 3fgv n GLU 96 Cb 0.66 -2.47 0.02 0.00 0.27 0.00 0.00 31.44 29.92 3fgv n GLU 96 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3fgv s GLN 97 N -2.47 3.26 -0.45 5.31 -0.21 -1.26 -4.90 119.66 118.94 3fgv s GLN 97 Ca 0.65 1.95 -0.19 0.00 0.02 0.00 0.00 55.36 57.79 3fgv s GLN 97 Cb -0.47 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.40 3fgv s GLN 97 CO 0.55 -1.01 0.54 0.34 -2.12 0.00 0.00 175.29 173.59 3fgv s ASP 98 N -1.31 6.23 -0.21 5.90 -1.08 -0.58 -4.95 116.67 120.68 3fgv s ASP 98 Ca 0.71 -0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 52.01 3fgv s ASP 98 Cb -0.33 -2.26 -0.01 0.00 -1.46 0.00 0.00 42.92 38.85 3fgv s ASP 98 CO 0.38 -0.72 -0.04 0.12 0.52 0.00 0.00 175.17 175.44 3fgv s PHE 99 N 2.42 2.97 -0.00 -5.34 2.19 -1.26 -0.74 117.98 118.21 3fgv s PHE 99 Ca 0.15 -0.81 0.02 0.00 0.33 0.00 0.00 56.93 56.62 3fgv s PHE 99 Cb -0.17 -2.09 -0.01 0.00 -1.31 0.00 0.00 43.02 39.44 3fgv s PHE 99 CO 0.14 -0.47 -0.08 0.15 1.83 0.00 0.00 175.22 176.79 3fgv s LYS 100 N 1.34 0.63 -0.02 10.12 1.02 -0.47 -5.02 119.74 127.35 3fgv s LYS 100 Ca 0.04 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.73 3fgv s LYS 100 Cb -0.14 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 3fgv s LYS 100 CO -0.02 0.16 -0.04 0.95 -0.92 0.00 0.00 175.35 175.49 3fgv s THR 101 N -0.26 3.90 0.07 2.17 -4.23 -1.26 -1.21 115.64 114.81 3fgv s THR 101 Ca 0.02 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 3fgv s THR 101 Cb -0.03 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3fgv s THR 101 CO -0.00 0.44 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.16 3fgv s TYR 102 N -0.98 0.72 0.01 3.99 1.51 0.57 -4.99 117.35 118.17 3fgv s TYR 102 Ca 0.17 -0.89 -0.25 0.00 -1.01 0.00 0.00 57.07 55.09 3fgv s TYR 102 Cb -0.11 -0.45 -0.05 0.00 -0.11 0.00 0.00 41.96 41.24 3fgv s TYR 102 CO 0.07 -0.22 0.75 -1.14 -1.11 0.00 0.00 175.55 173.91 3fgv s GLN 103 N -3.48 4.47 -0.21 -0.62 0.74 -1.26 -0.97 119.66 118.33 3fgv s GLN 103 Ca 0.06 1.02 -0.29 0.00 0.05 0.00 0.00 55.36 56.20 3fgv s GLN 103 Cb 0.04 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.76 3fgv s GLN 103 CO -0.06 0.21 1.05 -1.17 -0.55 0.00 0.00 175.29 174.78 3fgv s LEU 104 N 0.23 4.12 0.00 3.68 2.96 -0.50 -4.85 118.68 124.32 3fgv s LEU 104 Ca 0.39 1.42 0.27 0.00 -0.22 0.00 0.00 54.13 55.99 3fgv s LEU 104 Cb -0.20 -3.54 1.64 0.00 0.50 0.00 0.00 46.19 44.59 3fgv s LEU 104 CO 0.22 -0.66 1.98 0.00 -1.32 0.00 0.00 176.35 176.57