#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa3 n GLU 2 N 0.00 1.55 -2.56 1.61 0.00 -1.26 -4.27 120.64 115.70 1fa3 n GLU 2 Ca 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 57.16 53.38 1fa3 n GLU 2 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 31.44 29.59 1fa3 n GLU 2 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1fa3 n TRP 3 N 0.13 -4.11 -3.77 4.31 5.03 -1.22 -5.05 117.44 112.76 1fa3 n TRP 3 Ca 0.26 2.24 -0.11 0.00 3.03 0.00 0.00 57.50 62.91 1fa3 n TRP 3 Cb 0.60 -3.82 -0.07 0.00 -1.03 0.00 0.00 31.31 26.99 1fa3 n TRP 3 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1fa3 s GLU 4 N -0.95 0.79 0.13 -0.99 2.56 -0.60 -4.97 118.70 114.67 1fa3 s GLU 4 Ca -0.19 -0.53 -0.30 0.00 0.00 0.00 0.00 54.97 53.94 1fa3 s GLU 4 Cb 0.01 0.34 -0.07 0.00 2.00 0.00 0.00 34.13 36.41 1fa3 s GLU 4 CO 0.75 -0.25 1.23 0.42 -0.56 0.00 0.00 175.26 176.85 1fa3 s ILE 5 N -2.57 3.69 0.14 -3.70 1.01 -1.26 -0.63 121.20 117.88 1fa3 s ILE 5 Ca -0.05 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.92 1fa3 s ILE 5 Cb -0.01 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1fa3 s ILE 5 CO -0.04 0.16 0.30 0.27 0.00 0.00 0.00 174.94 175.63 1fa3 s ILE 6 N 0.50 5.30 0.09 2.92 -4.36 0.24 -4.92 121.20 120.98 1fa3 s ILE 6 Ca 0.57 -0.54 -0.31 0.00 -0.26 0.00 0.00 60.65 60.11 1fa3 s ILE 6 Cb -0.32 -3.72 -0.09 0.00 1.25 0.00 0.00 42.46 39.58 1fa3 s ILE 6 CO 0.33 -0.06 1.79 -1.81 0.24 0.00 0.00 174.94 175.42 1fa3 s ASP 7 N -3.06 6.49 -0.15 4.36 1.11 -1.26 -4.83 116.67 119.33 1fa3 s ASP 7 Ca 0.36 2.65 -0.29 0.00 0.18 0.00 0.00 52.55 55.45 1fa3 s ASP 7 Cb -0.11 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.30 1fa3 s ASP 7 CO 0.28 -0.97 1.15 0.27 1.18 0.00 0.00 175.17 177.08 1fa3 s ILE 8 N 2.94 4.46 -0.55 0.77 -5.25 -1.26 -4.54 121.20 117.76 1fa3 s ILE 8 Ca 0.79 1.76 0.00 0.00 -0.99 0.00 0.00 60.65 62.21 1fa3 s ILE 8 Cb -0.43 -4.13 0.00 0.00 2.95 0.00 0.00 42.46 40.84 1fa3 s ILE 8 CO 0.35 -0.09 0.00 0.61 -1.79 0.00 0.00 174.94 174.02 1fa3 n GLY 9 N 3.39 -0.59 0.18 6.27 0.00 -1.26 -5.01 105.19 108.18 1fa3 n GLY 9 Ca 0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1fa3 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fa3 h PRO 10 N 0.00 0.46 -0.03 1.61 0.13 -1.98 0.12 132.00 132.31 1fa3 h PRO 10 Ca 0.00 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.14 1fa3 h PRO 10 Cb 0.00 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 30.97 1fa3 h PRO 10 CO 0.00 0.30 -0.29 0.35 -0.23 0.00 0.00 178.00 178.13 1fa3 h PHE 11 N 0.47 -0.80 -0.21 1.56 3.57 -1.97 0.13 116.94 119.69 1fa3 h PHE 11 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1fa3 h PHE 11 Cb 0.05 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1fa3 h PHE 11 CO -0.08 -0.38 0.10 1.79 -2.23 0.00 0.00 178.31 177.50 1fa3 h THR 12 N -0.42 1.15 -0.37 4.41 1.35 -1.70 -1.25 112.91 116.07 1fa3 h THR 12 Ca 0.07 -0.44 0.07 0.00 -0.55 0.00 0.00 66.41 65.56 1fa3 h THR 12 Cb 0.52 1.05 -0.06 0.00 -1.73 0.00 0.00 68.15 67.93 1fa3 h THR 12 CO -0.27 0.15 -0.02 1.56 -0.25 0.00 0.00 175.52 176.68 1fa3 h GLN 13 N 0.20 0.07 -0.27 4.72 4.20 -0.57 0.11 115.11 123.57 1fa3 h GLN 13 Ca 0.07 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1fa3 h GLN 13 Cb 0.14 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1fa3 h GLN 13 CO -0.01 0.05 0.00 -0.97 -0.67 0.00 0.00 178.83 177.23 1fa3 h ASN 14 N 0.07 -0.09 -0.56 1.46 -1.24 -0.33 0.22 115.58 115.11 1fa3 h ASN 14 Ca 0.18 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1fa3 h ASN 14 Cb 0.26 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1fa3 h ASN 14 CO -0.32 -0.02 0.36 -0.07 -1.29 0.00 0.00 177.43 176.09 1fa3 h LEU 15 N 0.09 0.65 -0.33 0.34 3.38 -0.66 0.59 115.31 119.35 1fa3 h LEU 15 Ca 0.13 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1fa3 h LEU 15 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1fa3 h LEU 15 CO -0.21 0.48 0.14 1.23 0.09 0.00 0.00 178.44 180.17 1fa3 h GLY 16 N 0.75 0.44 0.29 0.83 0.00 -0.22 0.74 103.07 105.90 1fa3 h GLY 16 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1fa3 h GLY 16 CO -0.04 0.06 -0.27 0.50 0.00 0.00 0.00 176.54 176.79 1fa3 h LYS 17 N 0.30 -0.34 -0.51 4.80 1.57 -0.13 0.28 116.57 122.54 1fa3 h LYS 17 Ca 0.15 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1fa3 h LYS 17 Cb 0.09 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1fa3 h LYS 17 CO -0.13 -0.23 0.21 0.35 -0.57 0.00 0.00 179.45 179.09 1fa3 h PHE 18 N -0.35 0.38 -0.00 -1.35 3.57 -0.52 0.40 116.94 119.07 1fa3 h PHE 18 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1fa3 h PHE 18 Cb 0.49 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1fa3 h PHE 18 CO -0.34 0.15 -0.12 0.00 -2.23 0.00 0.00 178.31 175.77 1fa3 h ALA 19 N 1.31 -0.13 -0.72 2.41 0.00 -0.32 0.69 119.26 122.50 1fa3 h ALA 19 Ca 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1fa3 h ALA 19 Cb 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1fa3 h ALA 19 CO -0.21 -0.61 0.22 0.28 0.00 0.00 0.00 179.25 178.93 1fa3 h VAL 20 N -0.20 1.26 0.08 0.00 2.07 -0.40 -0.37 116.25 118.68 1fa3 h VAL 20 Ca 0.04 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1fa3 h VAL 20 Cb 0.25 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1fa3 h VAL 20 CO -0.12 0.35 -0.04 -0.78 0.02 0.00 0.00 177.57 177.00 1fa3 h ASP 21 N 1.06 -0.09 -0.11 0.57 3.58 0.20 0.19 116.42 121.82 1fa3 h ASP 21 Ca 0.23 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.65 1fa3 h ASP 21 Cb 0.30 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1fa3 h ASP 21 CO -0.01 0.01 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.19 1fa3 h GLU 22 N -0.19 -0.11 -0.04 0.28 4.57 -0.72 0.22 114.58 118.59 1fa3 h GLU 22 Ca -0.01 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1fa3 h GLU 22 Cb 0.15 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1fa3 h GLU 22 CO 0.02 -0.07 -0.10 1.49 -1.18 0.00 0.00 179.01 179.17 1fa3 h GLU 23 N -0.11 -0.14 -0.68 1.92 4.22 -0.82 -1.60 114.58 117.37 1fa3 h GLU 23 Ca 0.07 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.60 1fa3 h GLU 23 Cb 0.22 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1fa3 h GLU 23 CO -0.18 -0.09 0.34 -0.91 -2.18 0.00 0.00 179.01 175.99 1fa3 h ASN 24 N -0.14 0.46 -0.77 1.04 4.21 -0.35 0.23 115.58 120.26 1fa3 h ASN 24 Ca 0.05 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.65 1fa3 h ASN 24 Cb 0.21 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.33 1fa3 h ASN 24 CO -0.13 0.28 0.48 0.50 -1.29 0.00 0.00 177.43 177.27 1fa3 h LYS 25 N 0.61 0.89 -0.05 0.81 3.64 0.33 -2.38 116.57 120.41 1fa3 h LYS 25 Ca 0.33 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1fa3 h LYS 25 Cb 0.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fa3 h LYS 25 CO -0.24 0.59 -0.26 0.82 -2.27 0.00 0.00 179.45 178.09 1fa3 h ILE 26 N 0.91 1.45 0.00 2.00 2.04 -0.84 -3.49 117.51 119.59 1fa3 h ILE 26 Ca 0.32 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1fa3 h ILE 26 Cb 0.07 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1fa3 h ILE 26 CO -0.13 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1fa3 n GLY 27 N 0.71 0.74 0.29 5.37 0.00 0.78 -4.98 105.19 108.09 1fa3 n GLY 27 Ca -0.08 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.55 1fa3 n GLY 27 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1fa3 h GLN 28 N 0.32 0.66 -0.63 1.61 4.20 -1.87 0.21 115.11 119.60 1fa3 h GLN 28 Ca 0.00 -0.04 -0.34 0.00 0.06 0.00 0.00 58.65 58.33 1fa3 h GLN 28 Cb 0.00 -0.15 -0.20 0.00 0.30 0.00 0.00 27.48 27.43 1fa3 h GLN 28 CO 0.00 0.44 0.21 0.66 -0.67 0.00 0.00 178.83 179.47 1fa3 n TYR 29 N -4.82 1.97 -4.62 2.96 4.01 -1.26 -5.08 117.16 110.32 1fa3 n TYR 29 Ca 0.13 -1.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.09 1fa3 n TYR 29 Cb 0.30 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1fa3 n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fa3 n GLY 30 N -1.12 0.39 3.57 2.72 0.00 0.06 -4.61 105.19 106.20 1fa3 n GLY 30 Ca 0.45 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1fa3 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fa3 s ARG 31 N 0.00 3.78 0.11 1.61 3.00 -1.26 -4.49 118.95 121.69 1fa3 s ARG 31 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 55.73 55.30 1fa3 s ARG 31 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 34.95 31.24 1fa3 s ARG 31 CO 0.00 -0.28 0.08 1.28 0.00 0.00 0.00 175.30 176.38 1fa3 n LEU 32 N 5.08 0.00 -3.72 2.53 4.32 -1.26 -5.07 117.00 118.88 1fa3 n LEU 32 Ca -0.13 -0.55 -0.16 0.00 -0.02 0.00 0.00 56.01 55.14 1fa3 n LEU 32 Cb 0.51 -0.01 -0.16 0.00 -1.62 0.00 0.00 43.42 42.14 1fa3 n LEU 32 CO 0.34 -0.33 -0.30 -0.89 -1.22 0.00 0.00 177.39 174.99 1fa3 s THR 33 N -0.47 -0.11 0.20 -5.08 2.01 -1.26 -4.92 115.64 106.01 1fa3 s THR 33 Ca 0.06 0.30 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 1fa3 s THR 33 Cb -0.01 -0.17 -0.14 0.00 0.01 0.00 0.00 72.50 72.20 1fa3 s THR 33 CO 0.04 0.12 1.49 0.33 -0.69 0.00 0.00 174.62 175.91 1fa3 n PHE 34 N 4.71 2.22 -0.02 4.92 7.35 -1.26 0.11 117.46 135.49 1fa3 n PHE 34 Ca -0.16 0.36 -0.03 0.00 -0.76 0.00 0.00 57.45 56.86 1fa3 n PHE 34 Cb 0.50 -2.50 -0.01 0.00 0.35 0.00 0.00 39.48 37.83 1fa3 n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1fa3 n ASN 35 N 2.71 0.76 -2.20 -2.13 2.85 -0.17 -4.81 115.26 112.27 1fa3 n ASN 35 Ca 0.14 0.12 -0.03 0.00 -0.11 0.00 0.00 54.58 54.70 1fa3 n ASN 35 Cb 0.30 -0.44 0.01 0.00 1.24 0.00 0.00 39.78 40.90 1fa3 n ASN 35 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1fa3 n LYS 36 N -3.25 0.52 -5.15 1.20 0.00 -1.02 -5.03 118.16 105.43 1fa3 n LYS 36 Ca -0.04 -1.07 -0.30 0.00 -0.00 0.00 0.00 58.31 56.89 1fa3 n LYS 36 Cb 0.15 1.39 -0.16 0.00 -0.00 0.00 0.00 35.03 36.42 1fa3 n LYS 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1fa3 s VAL 37 N -2.37 2.00 0.18 0.58 1.01 -1.26 -0.23 120.40 120.31 1fa3 s VAL 37 Ca 0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1fa3 s VAL 37 Cb -0.02 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1fa3 s VAL 37 CO 0.05 0.50 0.11 0.27 0.00 0.00 0.00 175.10 176.04 1fa3 s ILE 38 N -0.65 0.04 0.58 2.22 -5.25 -0.47 -4.95 121.20 112.73 1fa3 s ILE 38 Ca 0.10 -1.94 -0.20 0.00 -0.99 0.00 0.00 60.65 57.62 1fa3 s ILE 38 Cb -0.10 -2.32 -0.04 0.00 2.95 0.00 0.00 42.46 42.96 1fa3 s ILE 38 CO -0.00 -0.17 1.27 -2.11 -1.79 0.00 0.00 174.94 172.13 1fa3 n ARG 39 N -0.21 1.37 -2.41 0.37 0.00 -1.26 -3.79 116.66 110.73 1fa3 n ARG 39 Ca -0.01 0.52 -0.33 0.00 -0.00 0.00 0.00 57.85 58.03 1fa3 n ARG 39 Cb 0.65 -2.48 -0.03 0.00 -0.00 0.00 0.00 32.46 30.60 1fa3 n ARG 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1fa3 s PRO 40 N -3.00 3.85 -0.37 2.89 0.04 -1.26 -4.84 135.00 132.31 1fa3 s PRO 40 Ca 0.76 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1fa3 s PRO 40 Cb -0.41 -2.12 0.15 0.00 0.04 0.00 0.00 34.50 32.16 1fa3 s PRO 40 CO 0.46 -0.36 0.29 0.00 0.04 0.00 0.00 177.00 177.43 1fa3 s MET 42 N 0.94 3.40 -0.15 0.00 1.75 0.35 -0.59 119.30 125.00 1fa3 s MET 42 Ca 0.21 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 53.94 1fa3 s MET 42 Cb -0.15 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 1fa3 s MET 42 CO -0.04 -0.05 0.13 0.21 -0.65 0.00 0.00 175.02 174.62 1fa3 s LYS 43 N 1.08 3.70 0.17 4.11 2.20 0.20 -0.76 119.74 130.43 1fa3 s LYS 43 Ca 0.01 -0.17 0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1fa3 s LYS 43 Cb -0.15 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1fa3 s LYS 43 CO -0.01 0.60 -0.21 0.21 -0.36 0.00 0.00 175.35 175.58 1fa3 s LYS 44 N -0.52 1.36 0.05 4.03 2.20 -0.04 -1.56 119.74 125.26 1fa3 s LYS 44 Ca 0.12 -1.42 -0.19 0.00 -0.36 0.00 0.00 55.97 54.12 1fa3 s LYS 44 Cb -0.12 -1.56 -0.06 0.00 -1.51 0.00 0.00 37.83 34.58 1fa3 s LYS 44 CO 0.02 0.34 0.56 0.99 -0.36 0.00 0.00 175.35 176.89 1fa3 s THR 45 N -1.74 4.80 -0.22 3.43 2.01 -1.26 -0.49 115.64 122.17 1fa3 s THR 45 Ca 0.16 1.18 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 1fa3 s THR 45 Cb -0.07 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1fa3 s THR 45 CO 0.08 0.53 0.03 -0.51 -0.69 0.00 0.00 174.62 174.05 1fa3 s ILE 46 N -0.93 4.09 0.07 1.82 1.10 0.41 -4.83 121.20 122.94 1fa3 s ILE 46 Ca 0.29 -0.26 -0.01 0.00 -0.51 0.00 0.00 60.65 60.16 1fa3 s ILE 46 Cb -0.19 -2.87 -0.04 0.00 0.15 0.00 0.00 42.46 39.51 1fa3 s ILE 46 CO 0.18 0.39 -0.00 -0.72 -2.11 0.00 0.00 174.94 172.68 1fa3 s TYR 47 N 1.25 0.60 0.29 3.50 -0.85 -1.26 -1.04 117.35 119.84 1fa3 s TYR 47 Ca 0.04 -1.10 0.07 0.00 -0.52 0.00 0.00 57.07 55.56 1fa3 s TYR 47 Cb -0.15 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.76 1fa3 s TYR 47 CO 0.02 -0.42 0.23 -1.21 -1.52 0.00 0.00 175.55 172.65 1fa3 s GLU 48 N -3.95 2.82 0.00 -3.49 0.41 0.26 -4.89 118.70 109.86 1fa3 s GLU 48 Ca 0.12 -1.17 -0.02 0.00 -0.41 0.00 0.00 54.97 53.49 1fa3 s GLU 48 Cb 0.08 -2.51 -0.01 0.00 -1.78 0.00 0.00 34.13 29.91 1fa3 s GLU 48 CO -0.07 0.26 1.02 -0.91 -0.49 0.00 0.00 175.26 175.08 1fa3 h ASN 49 N 1.39 -0.06 -1.09 -0.19 2.35 -1.90 0.97 115.58 117.06 1fa3 h ASN 49 Ca -0.47 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.33 1fa3 h ASN 49 Cb 1.25 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1fa3 h ASN 49 CO 0.60 -0.03 -0.05 1.21 -1.65 0.00 0.00 177.43 177.50 1fa3 n GLU 50 N -2.36 -0.30 0.00 0.81 4.07 -1.26 -2.44 120.64 119.15 1fa3 n GLU 50 Ca -0.01 0.20 0.01 0.00 -0.06 0.00 0.00 57.16 57.30 1fa3 n GLU 50 Cb 0.02 -0.37 0.06 0.00 -0.06 0.00 0.00 31.44 31.09 1fa3 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fa3 n GLY 51 N -0.45 -0.81 1.23 8.31 0.00 -1.26 -4.62 105.19 107.59 1fa3 n GLY 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fa3 n GLY 51 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fa3 n PHE 52 N -0.54 -1.54 -3.63 1.61 -0.00 -1.21 -5.13 117.46 107.02 1fa3 n PHE 52 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.35 1fa3 n PHE 52 Cb 0.01 0.31 -0.07 0.00 -0.00 0.00 0.00 39.48 39.72 1fa3 n PHE 52 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1fa3 s ARG 53 N -0.76 0.70 -0.49 -4.13 3.00 -1.02 -4.90 118.95 111.35 1fa3 s ARG 53 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 55.73 56.59 1fa3 s ARG 53 Cb 0.00 0.32 0.13 0.00 0.00 0.00 0.00 34.95 35.40 1fa3 s ARG 53 CO 0.00 -0.09 0.28 -2.00 0.00 0.00 0.00 175.30 173.49 1fa3 s GLU 54 N 0.48 2.16 -0.15 3.54 2.12 0.34 -4.90 118.70 122.28 1fa3 s GLU 54 Ca -0.00 -2.18 -0.29 0.00 0.36 0.00 0.00 54.97 52.86 1fa3 s GLU 54 Cb -0.05 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1fa3 s GLU 54 CO -0.04 -1.10 1.88 0.42 -0.54 0.00 0.00 175.26 175.88 1fa3 s ILE 55 N 0.51 3.32 -0.08 -3.70 1.01 -1.26 -0.57 121.20 120.43 1fa3 s ILE 55 Ca 0.13 0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.21 1fa3 s ILE 55 Cb -0.22 -3.33 -0.24 0.00 0.01 0.00 0.00 42.46 38.69 1fa3 s ILE 55 CO -0.04 -0.13 0.52 1.17 0.00 0.00 0.00 174.94 176.46 1fa3 n LYS 56 N 7.92 0.67 0.00 2.79 4.81 -0.21 -4.95 118.16 129.19 1fa3 n LYS 56 Ca 0.22 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1fa3 n LYS 56 Cb 0.44 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1fa3 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa3 n GLY 57 N 1.71 -0.80 3.43 3.14 0.00 -0.39 -0.29 105.19 111.99 1fa3 n GLY 57 Ca -0.23 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1fa3 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa3 s TYR 58 N -4.00 0.60 0.06 1.61 1.51 0.23 -0.44 117.35 116.92 1fa3 s TYR 58 Ca 0.00 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 1fa3 s TYR 58 Cb 0.00 -0.08 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1fa3 s TYR 58 CO 0.00 -0.84 -0.06 -1.83 -1.11 0.00 0.00 175.55 171.71 1fa3 s GLU 59 N -4.05 0.63 -0.11 -0.62 -1.05 0.35 -0.85 118.70 113.01 1fa3 s GLU 59 Ca 0.26 -1.03 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 1fa3 s GLU 59 Cb 0.02 -0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.60 1fa3 s GLU 59 CO 0.08 -0.01 -0.02 0.71 0.95 0.00 0.00 175.26 176.98 1fa3 s TYR 60 N -2.60 1.00 -0.34 4.83 1.51 0.12 -0.86 117.35 121.02 1fa3 s TYR 60 Ca 0.00 -0.48 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1fa3 s TYR 60 Cb -0.02 -0.98 0.06 0.00 -0.11 0.00 0.00 41.96 40.91 1fa3 s TYR 60 CO -0.03 -0.44 0.08 -1.14 -1.11 0.00 0.00 175.55 172.91 1fa3 s GLN 61 N 1.86 2.41 0.02 -0.62 -0.44 0.06 -0.64 119.66 122.32 1fa3 s GLN 61 Ca 0.04 -1.35 -0.15 0.00 -2.50 0.00 0.00 55.36 51.40 1fa3 s GLN 61 Cb -0.13 -3.36 0.02 0.00 -1.64 0.00 0.00 33.01 27.90 1fa3 s GLN 61 CO -0.07 -0.73 0.33 -0.48 0.50 0.00 0.00 175.29 174.84 1fa3 s LEU 62 N 1.28 0.78 -0.32 3.68 2.34 -0.03 -0.49 118.68 125.92 1fa3 s LEU 62 Ca -0.01 -0.03 -0.13 0.00 0.06 0.00 0.00 54.13 54.02 1fa3 s LEU 62 Cb -0.20 1.38 -0.03 0.00 -0.56 0.00 0.00 46.19 46.78 1fa3 s LEU 62 CO -0.00 -0.55 0.26 -0.31 -1.06 0.00 0.00 176.35 174.68 1fa3 s TYR 63 N -1.98 3.22 -0.17 3.48 1.51 -0.90 -0.57 117.35 121.94 1fa3 s TYR 63 Ca -0.09 -0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1fa3 s TYR 63 Cb -0.03 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 1fa3 s TYR 63 CO 0.00 -0.32 -0.03 0.08 -1.11 0.00 0.00 175.55 174.17 1fa3 s VAL 64 N 1.80 3.81 -0.35 0.71 1.01 0.47 -1.36 120.40 126.48 1fa3 s VAL 64 Ca 0.08 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1fa3 s VAL 64 Cb -0.17 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1fa3 s VAL 64 CO 0.11 0.47 0.89 -0.31 0.00 0.00 0.00 175.10 176.26 1fa3 s TYR 65 N 0.61 3.11 -0.17 5.22 2.02 0.68 -0.64 117.35 128.18 1fa3 s TYR 65 Ca -0.02 0.78 0.01 0.00 -0.37 0.00 0.00 57.07 57.47 1fa3 s TYR 65 Cb -0.14 -3.54 0.01 0.00 -0.40 0.00 0.00 41.96 37.89 1fa3 s TYR 65 CO 0.02 -0.76 -0.20 0.00 -1.57 0.00 0.00 175.55 173.04 1fa3 s ALA 66 N 3.35 2.34 0.00 3.71 0.00 0.15 -1.00 121.76 130.30 1fa3 s ALA 66 Ca 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1fa3 s ALA 66 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1fa3 s ALA 66 CO 0.17 -0.24 0.00 0.45 0.00 0.00 0.00 175.76 176.14 1fa3 n SER 67 N 4.43 0.00 -0.38 0.00 2.88 0.12 -0.74 113.62 119.93 1fa3 n SER 67 Ca -0.20 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1fa3 n SER 67 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1fa3 n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1fa3 n ASP 68 N 2.23 -0.06 -4.50 -3.46 2.03 -1.26 -4.81 116.55 106.72 1fa3 n ASP 68 Ca 0.00 -0.16 -0.33 0.00 0.52 0.00 0.00 54.79 54.82 1fa3 n ASP 68 Cb 0.00 0.02 -0.12 0.00 -0.72 0.00 0.00 41.12 40.29 1fa3 n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1fa3 s LYS 69 N 0.00 3.03 -0.17 -0.67 3.01 0.08 -5.09 119.74 119.93 1fa3 s LYS 69 Ca 0.00 -0.60 -0.23 0.00 -1.01 0.00 0.00 55.97 54.13 1fa3 s LYS 69 Cb 0.00 -2.62 -0.02 0.00 -1.01 0.00 0.00 37.83 34.18 1fa3 s LYS 69 CO 0.00 0.47 0.72 -1.17 0.51 0.00 0.00 175.35 175.88 1fa3 s LEU 70 N -0.30 4.18 0.06 3.17 2.96 -1.26 -0.68 118.68 126.80 1fa3 s LEU 70 Ca 0.04 1.02 0.09 0.00 -0.22 0.00 0.00 54.13 55.06 1fa3 s LEU 70 Cb -0.13 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1fa3 s LEU 70 CO 0.03 -0.30 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.13 1fa3 s PHE 71 N 1.85 2.27 -0.04 5.38 0.40 0.18 -0.60 117.98 127.42 1fa3 s PHE 71 Ca 0.34 -0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 56.03 1fa3 s PHE 71 Cb -0.16 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1fa3 s PHE 71 CO 0.12 0.15 0.71 0.50 0.70 0.00 0.00 175.22 177.40 1fa3 s ARG 72 N -1.35 4.44 -0.03 0.44 3.00 0.65 -0.39 118.95 125.71 1fa3 s ARG 72 Ca 0.12 0.91 0.07 0.00 -1.00 0.00 0.00 55.73 55.83 1fa3 s ARG 72 Cb -0.10 -3.43 -0.02 0.00 0.00 0.00 0.00 34.95 31.41 1fa3 s ARG 72 CO 0.03 0.12 -0.25 0.00 0.00 0.00 0.00 175.30 175.19 1fa3 s ALA 73 N 0.59 2.13 -0.17 6.12 0.00 0.27 -0.56 121.76 130.14 1fa3 s ALA 73 Ca 0.38 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1fa3 s ALA 73 Cb -0.18 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1fa3 s ALA 73 CO 0.19 0.50 -0.18 0.34 0.00 0.00 0.00 175.76 176.61 1fa3 s ASP 74 N -0.50 3.35 0.13 0.00 2.15 0.17 -0.86 116.67 121.11 1fa3 s ASP 74 Ca 0.07 -0.58 0.11 0.00 0.43 0.00 0.00 52.55 52.57 1fa3 s ASP 74 Cb -0.11 -1.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.96 1fa3 s ASP 74 CO 0.00 0.03 -0.26 -0.63 -0.17 0.00 0.00 175.17 174.14 1fa3 s ILE 75 N 1.15 2.18 0.21 4.11 -1.09 0.19 -0.02 121.20 127.92 1fa3 s ILE 75 Ca 0.01 -1.75 0.09 0.00 -2.23 0.00 0.00 60.65 56.77 1fa3 s ILE 75 Cb -0.14 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 1fa3 s ILE 75 CO -0.08 0.04 -0.17 -0.55 -1.23 0.00 0.00 174.94 172.96 1fa3 s SER 76 N -2.10 2.85 -0.04 3.58 0.15 0.38 -0.71 113.70 117.81 1fa3 s SER 76 Ca 0.13 -0.96 0.02 0.00 0.70 0.00 0.00 55.95 55.85 1fa3 s SER 76 Cb -0.10 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1fa3 s SER 76 CO 0.06 -0.07 -0.10 -0.70 1.20 0.00 0.00 173.24 173.63 1fa3 s GLU 77 N -3.29 1.24 -0.28 5.44 -6.30 -0.03 -0.18 118.70 115.30 1fa3 s GLU 77 Ca 0.22 -0.35 -0.09 0.00 -2.50 0.00 0.00 54.97 52.24 1fa3 s GLU 77 Cb -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 34.13 32.96 1fa3 s GLU 77 CO 0.08 0.09 0.14 0.34 0.02 0.00 0.00 175.26 175.93 1fa3 s ASP 78 N 0.38 5.59 0.54 -1.70 -1.08 -0.70 -0.60 116.67 119.10 1fa3 s ASP 78 Ca -0.07 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.05 1fa3 s ASP 78 Cb -0.12 -2.02 1.54 0.00 -1.46 0.00 0.00 42.92 40.86 1fa3 s ASP 78 CO 0.01 -0.08 2.10 0.22 0.52 0.00 0.00 175.17 177.94 1fa3 h TYR 79 N 8.32 0.00 -0.93 -5.34 3.20 -0.97 0.36 116.97 121.62 1fa3 h TYR 79 Ca -0.36 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.58 1fa3 h TYR 79 Cb 1.17 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.38 1fa3 h TYR 79 CO 0.70 0.09 0.59 0.87 -1.64 0.00 0.00 178.16 178.77 1fa3 h LYS 80 N 0.00 1.03 0.00 1.82 1.57 -1.95 -2.70 116.57 116.33 1fa3 h LYS 80 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fa3 h LYS 80 Cb 0.31 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1fa3 h LYS 80 CO 0.01 0.68 -1.49 2.41 -0.57 0.00 0.00 179.45 180.49 1fa3 n THR 81 N -4.57 0.00 -3.30 -0.16 -1.04 -0.93 -4.98 114.28 99.29 1fa3 n THR 81 Ca 0.14 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.05 61.61 1fa3 n THR 81 Cb 0.19 0.38 0.02 0.00 -1.82 0.00 0.00 70.33 69.11 1fa3 n THR 81 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fa3 n ARG 82 N -1.89 -4.66 -4.83 -2.82 1.74 0.12 -4.99 116.66 99.34 1fa3 n ARG 82 Ca -0.01 0.71 -0.33 0.00 -0.77 0.00 0.00 57.85 57.44 1fa3 n ARG 82 Cb 0.40 -5.53 -0.13 0.00 -1.02 0.00 0.00 32.46 26.18 1fa3 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1fa3 s GLY 83 N -2.83 1.56 0.45 -0.13 0.00 -1.11 -4.91 107.32 100.35 1fa3 s GLY 83 Ca 0.41 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 44.18 1fa3 s GLY 83 CO 0.50 -0.64 0.67 0.50 0.00 0.00 0.00 173.10 174.13 1fa3 s ARG 84 N -0.53 3.05 -0.21 2.90 3.00 -1.26 -1.72 118.95 124.18 1fa3 s ARG 84 Ca 0.07 -0.52 -0.20 0.00 0.00 0.00 0.00 55.73 55.08 1fa3 s ARG 84 Cb -0.12 -2.57 0.06 0.00 0.00 0.00 0.00 34.95 32.32 1fa3 s ARG 84 CO 0.02 -0.27 0.57 -1.59 0.00 0.00 0.00 175.30 174.02 1fa3 s LYS 85 N -4.55 0.66 0.10 3.54 0.00 0.75 -4.95 119.74 115.30 1fa3 s LYS 85 Ca 0.49 0.78 -0.31 0.00 0.00 0.00 0.00 55.97 56.93 1fa3 s LYS 85 Cb -0.10 0.32 -0.09 0.00 0.00 0.00 0.00 37.83 37.96 1fa3 s LYS 85 CO 0.38 -0.08 1.76 -1.17 0.00 0.00 0.00 175.35 176.23 1fa3 s LEU 86 N 0.29 4.39 -0.15 2.77 2.96 -1.26 -0.47 118.68 127.20 1fa3 s LEU 86 Ca -0.00 2.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.43 1fa3 s LEU 86 Cb -0.04 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1fa3 s LEU 86 CO 0.01 -0.96 0.02 0.25 -1.32 0.00 0.00 176.35 174.36 1fa3 h LEU 87 N 8.62 0.00 -7.70 -0.68 6.46 -0.74 -3.46 115.31 117.82 1fa3 h LEU 87 Ca -0.45 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.02 1fa3 h LEU 87 Cb 1.21 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.99 1fa3 h LEU 87 CO 0.94 0.91 -0.32 -0.13 -0.62 0.00 0.00 178.44 179.22 1fa3 s ARG 88 N -2.15 0.82 -0.04 1.25 0.52 0.07 -5.00 118.95 114.43 1fa3 s ARG 88 Ca -0.16 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1fa3 s ARG 88 Cb 0.02 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.86 1fa3 s ARG 88 CO 0.31 -0.26 0.02 0.12 0.02 0.00 0.00 175.30 175.50 1fa3 s PHE 89 N -3.30 0.30 0.03 -0.53 5.36 -1.26 -0.66 117.98 117.92 1fa3 s PHE 89 Ca 0.00 0.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 1fa3 s PHE 89 Cb 0.02 -0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 42.18 1fa3 s PHE 89 CO -0.08 -0.18 -0.06 -0.80 -1.46 0.00 0.00 175.22 172.64 1fa3 s ASN 90 N 1.53 0.59 0.00 6.13 -0.87 0.28 -5.02 114.94 117.58 1fa3 s ASN 90 Ca -0.03 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.76 1fa3 s ASN 90 Cb -0.13 0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.16 1fa3 s ASN 90 CO -0.03 -0.23 0.00 0.61 -2.57 0.00 0.00 177.10 174.88 1fa3 n GLY 91 N 1.59 0.85 3.76 0.66 0.00 -1.26 -0.25 105.19 110.54 1fa3 n GLY 91 Ca -0.23 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 1fa3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa3 s PRO 92 N -1.58 3.43 -0.05 1.61 0.04 -1.26 -5.04 135.00 132.16 1fa3 s PRO 92 Ca 0.00 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1fa3 s PRO 92 Cb 0.00 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1fa3 s PRO 92 CO 0.00 -0.90 0.10 0.14 0.04 0.00 0.00 177.00 176.39 1fa3 s VAL 93 N -1.39 -0.05 0.79 -0.36 -7.23 0.24 -4.99 120.40 107.40 1fa3 s VAL 93 Ca 0.67 0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 60.92 1fa3 s VAL 93 Cb -0.36 -0.18 0.07 0.00 0.56 0.00 0.00 36.38 36.47 1fa3 s VAL 93 CO 0.43 0.07 1.09 -2.16 -0.31 0.00 0.00 175.10 174.22 1fa3 s PRO 94 N 1.07 2.14 0.49 4.82 0.04 -1.26 -4.48 135.00 137.82 1fa3 s PRO 94 Ca -0.09 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 1fa3 s PRO 94 Cb -0.11 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1fa3 s PRO 94 CO -0.05 -1.67 1.18 -1.25 0.04 0.00 0.00 177.00 175.25 1fa3 s PRO 95 N -4.98 3.59 0.00 0.56 0.04 -1.26 -5.11 135.00 127.84 1fa3 s PRO 95 Ca 0.61 1.78 0.13 0.00 0.04 0.00 0.00 61.00 63.56 1fa3 s PRO 95 Cb -0.16 -2.29 0.78 0.00 0.04 0.00 0.00 34.50 32.86 1fa3 s PRO 95 CO 0.56 -0.70 1.20 -0.35 0.04 0.00 0.00 177.00 177.76