#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa3 s GLU 2 N 0.00 3.63 -0.12 1.61 2.02 -1.26 -4.79 118.70 119.79 1fa3 s GLU 2 Ca 0.00 -1.86 -0.29 0.00 0.02 0.00 0.00 54.97 52.84 1fa3 s GLU 2 Cb 0.00 -4.90 -0.06 0.00 0.10 0.00 0.00 34.13 29.27 1fa3 s GLU 2 CO 0.00 -1.74 2.09 -1.58 0.02 0.00 0.00 175.26 174.04 1fa3 s TRP 3 N 2.46 1.26 0.04 1.61 0.23 -1.25 -4.19 118.94 119.10 1fa3 s TRP 3 Ca 0.33 0.16 -0.12 0.00 -2.03 0.00 0.00 56.10 54.43 1fa3 s TRP 3 Cb -0.05 -4.06 0.01 0.00 0.03 0.00 0.00 33.47 29.41 1fa3 s TRP 3 CO -0.09 -4.58 0.26 -2.00 0.96 0.00 0.00 176.95 171.50 1fa3 s GLU 4 N 5.55 0.77 0.11 4.98 2.12 -0.66 -4.98 118.70 126.58 1fa3 s GLU 4 Ca 0.94 -0.55 -0.22 0.00 0.36 0.00 0.00 54.97 55.50 1fa3 s GLU 4 Cb -0.36 0.33 -0.07 0.00 0.26 0.00 0.00 34.13 34.29 1fa3 s GLU 4 CO 0.37 -0.24 0.67 0.42 -0.54 0.00 0.00 175.26 175.95 1fa3 s ILE 5 N -2.57 4.59 0.09 -3.70 1.09 -1.26 -0.32 121.20 119.11 1fa3 s ILE 5 Ca -0.05 1.46 0.01 0.00 -1.10 0.00 0.00 60.65 60.97 1fa3 s ILE 5 Cb -0.01 -4.02 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 1fa3 s ILE 5 CO -0.04 0.52 0.20 0.27 -0.10 0.00 0.00 174.94 175.80 1fa3 s ILE 6 N -1.01 5.21 0.05 2.92 -4.36 0.18 -4.93 121.20 119.26 1fa3 s ILE 6 Ca 0.33 -0.54 -0.31 0.00 -0.26 0.00 0.00 60.65 59.87 1fa3 s ILE 6 Cb -0.21 -3.58 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 1fa3 s ILE 6 CO 0.22 0.07 1.31 -1.81 0.24 0.00 0.00 174.94 174.97 1fa3 s ASP 7 N -2.69 6.94 0.14 4.36 1.11 -1.26 -4.69 116.67 120.59 1fa3 s ASP 7 Ca 0.34 2.11 -0.30 0.00 0.18 0.00 0.00 52.55 54.87 1fa3 s ASP 7 Cb -0.12 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.22 1fa3 s ASP 7 CO 0.27 -0.60 1.26 0.27 1.18 0.00 0.00 175.17 177.55 1fa3 s ILE 8 N 1.55 3.57 -0.29 0.77 -5.25 -1.26 -4.66 121.20 115.64 1fa3 s ILE 8 Ca 0.61 1.21 0.00 0.00 -0.99 0.00 0.00 60.65 61.49 1fa3 s ILE 8 Cb -0.32 -3.78 0.00 0.00 2.95 0.00 0.00 42.46 41.32 1fa3 s ILE 8 CO 0.28 0.14 0.00 0.61 -1.79 0.00 0.00 174.94 174.18 1fa3 n GLY 9 N 2.80 -1.23 0.25 6.27 0.00 -1.26 -4.99 105.19 107.03 1fa3 n GLY 9 Ca 0.08 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.24 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 0.47 -0.11 1.61 0.13 -1.98 0.16 132.00 132.28 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 -0.06 0.00 0.13 0.00 0.00 31.00 30.96 1fa3 h PRO 10 CO 0.00 0.31 -0.43 0.35 -0.23 0.00 0.00 178.00 178.00 1fa3 h PHE 11 N 0.48 -1.23 -0.61 1.56 3.57 -1.96 0.16 116.94 118.91 1fa3 h PHE 11 Ca 0.34 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.82 1fa3 h PHE 11 Cb 0.42 0.55 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1fa3 h PHE 11 CO -0.15 -0.48 0.11 1.15 -2.23 0.00 0.00 178.31 176.71 1fa3 h THR 12 N -0.51 1.26 -0.46 4.41 2.02 -1.51 -0.40 112.91 117.72 1fa3 h THR 12 Ca 0.07 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.30 1fa3 h THR 12 Cb 0.64 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1fa3 h THR 12 CO -0.39 0.36 0.25 1.56 0.37 0.00 0.00 175.52 177.68 1fa3 h GLN 13 N 0.92 0.48 -0.39 6.66 4.20 -0.50 0.16 115.11 126.64 1fa3 h GLN 13 Ca 0.19 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1fa3 h GLN 13 Cb 0.41 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1fa3 h GLN 13 CO 0.01 0.32 0.19 -0.97 -0.67 0.00 0.00 178.83 177.71 1fa3 h ASN 14 N 0.50 0.29 -0.84 1.46 -1.24 0.13 0.23 115.58 116.10 1fa3 h ASN 14 Ca 0.19 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.26 1fa3 h ASN 14 Cb 0.07 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 1fa3 h ASN 14 CO -0.12 0.21 0.53 -0.07 -1.29 0.00 0.00 177.43 176.69 1fa3 h LEU 15 N 0.40 0.86 0.69 0.34 3.38 -0.62 0.14 115.31 120.50 1fa3 h LEU 15 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1fa3 h LEU 15 Cb 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1fa3 h LEU 15 CO -0.11 0.58 -0.42 1.23 0.09 0.00 0.00 178.44 179.81 1fa3 h GLY 16 N 1.01 -1.14 -0.59 0.83 0.00 0.22 0.85 103.07 104.26 1fa3 h GLY 16 Ca 0.34 0.46 0.13 0.00 0.00 0.00 0.00 47.33 48.27 1fa3 h GLY 16 CO -0.13 -0.40 -0.29 1.70 0.00 0.00 0.00 176.54 177.42 1fa3 h LYS 17 N -1.04 -0.07 -0.24 4.80 3.11 -0.36 0.05 116.57 122.81 1fa3 h LYS 17 Ca -0.09 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.80 1fa3 h LYS 17 Cb 0.84 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.04 1fa3 h LYS 17 CO 0.09 -0.05 -0.04 0.35 -2.81 0.00 0.00 179.45 177.00 1fa3 h PHE 18 N -0.07 -0.08 -0.14 1.91 3.57 -0.41 0.36 116.94 122.08 1fa3 h PHE 18 Ca 0.31 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.87 1fa3 h PHE 18 Cb 0.57 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1fa3 h PHE 18 CO -0.68 -0.08 -0.10 0.00 -2.23 0.00 0.00 178.31 175.23 1fa3 h ALA 19 N 1.23 0.02 -0.80 2.41 0.00 0.25 0.11 119.26 122.48 1fa3 h ALA 19 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1fa3 h ALA 19 Cb 0.17 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1fa3 h ALA 19 CO -0.23 -0.54 0.36 0.28 0.00 0.00 0.00 179.25 179.12 1fa3 h VAL 20 N -0.10 1.26 0.03 0.00 2.07 -0.55 0.05 116.25 119.00 1fa3 h VAL 20 Ca 0.09 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1fa3 h VAL 20 Cb 0.23 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1fa3 h VAL 20 CO -0.20 0.31 -0.01 -0.78 0.02 0.00 0.00 177.57 176.91 1fa3 h ASP 21 N 1.14 -0.03 -0.23 0.57 3.58 0.33 0.20 116.42 121.98 1fa3 h ASP 21 Ca 0.27 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1fa3 h ASP 21 Cb 0.16 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1fa3 h ASP 21 CO -0.03 0.11 0.12 -0.08 -2.88 0.00 0.00 179.24 176.48 1fa3 h GLU 22 N -0.17 0.32 -0.17 0.28 4.81 -0.66 0.18 114.58 119.18 1fa3 h GLU 22 Ca -0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1fa3 h GLU 22 Cb 0.15 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1fa3 h GLU 22 CO 0.01 0.29 -0.02 1.49 -0.73 0.00 0.00 179.01 180.05 1fa3 h GLU 23 N 0.26 0.02 -0.72 1.92 4.22 -0.85 -1.29 114.58 118.14 1fa3 h GLU 23 Ca 0.08 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.58 1fa3 h GLU 23 Cb 0.07 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1fa3 h GLU 23 CO -0.01 0.02 0.41 -0.91 -2.18 0.00 0.00 179.01 176.34 1fa3 h ASN 24 N 0.02 0.63 -1.00 1.04 4.21 -0.31 0.25 115.58 120.42 1fa3 h ASN 24 Ca 0.08 0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.63 1fa3 h ASN 24 Cb 0.11 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 37.16 1fa3 h ASN 24 CO -0.16 0.40 0.66 0.50 -1.29 0.00 0.00 177.43 177.55 1fa3 h LYS 25 N 0.76 1.30 -0.23 0.81 3.64 0.13 -1.23 116.57 121.74 1fa3 h LYS 25 Ca 0.32 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1fa3 h LYS 25 Cb 0.18 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1fa3 h LYS 25 CO -0.18 0.86 -0.07 0.82 -2.27 0.00 0.00 179.45 178.61 1fa3 h ILE 26 N 1.34 1.29 0.00 2.00 2.04 -0.63 -3.48 117.51 120.07 1fa3 h ILE 26 Ca 0.37 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1fa3 h ILE 26 Cb -0.12 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1fa3 h ILE 26 CO -0.09 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.01 1fa3 n GLY 27 N -0.11 0.63 0.37 5.37 0.00 0.82 -4.97 105.19 107.30 1fa3 n GLY 27 Ca -0.04 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.44 1fa3 n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1fa3 h GLN 28 N 0.42 1.18 -0.96 1.61 4.15 -1.84 0.44 115.11 120.10 1fa3 h GLN 28 Ca 0.00 -0.07 -0.60 0.00 0.77 0.00 0.00 58.65 58.75 1fa3 h GLN 28 Cb 0.00 -0.27 -0.38 0.00 0.21 0.00 0.00 27.48 27.04 1fa3 h GLN 28 CO 0.00 0.78 -0.23 0.66 -1.93 0.00 0.00 178.83 178.11 1fa3 n TYR 29 N -4.47 2.97 -4.79 3.99 4.01 -1.26 -5.08 117.16 112.52 1fa3 n TYR 29 Ca 0.15 -2.55 0.00 0.00 -0.16 0.00 0.00 57.90 55.34 1fa3 n TYR 29 Cb 0.14 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 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 -0.74 2.10 2.91 2.72 0.00 0.14 -4.48 105.19 107.83 1fa3 n GLY 30 Ca 0.49 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1fa3 n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fa3 s ARG 31 N 0.00 1.62 0.00 1.61 3.52 -1.26 -4.35 118.95 120.09 1fa3 s ARG 31 Ca 0.00 -2.20 0.00 0.00 -0.13 0.00 0.00 55.73 53.40 1fa3 s ARG 31 Cb 0.00 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1fa3 s ARG 31 CO 0.00 -1.07 0.00 1.28 -0.81 0.00 0.00 175.30 174.70 1fa3 n LEU 32 N 3.62 0.00 -3.70 -0.88 4.32 -1.26 -5.09 117.00 114.00 1fa3 n LEU 32 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 1fa3 n LEU 32 Cb 0.36 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.02 1fa3 n LEU 32 CO 0.27 -0.50 -0.18 -0.89 -1.22 0.00 0.00 177.39 174.88 1fa3 s THR 33 N -0.44 -0.20 0.34 -5.08 2.01 -1.26 -4.95 115.64 106.06 1fa3 s THR 33 Ca 0.00 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 1fa3 s THR 33 Cb 0.00 -0.35 -0.12 0.00 0.01 0.00 0.00 72.50 72.04 1fa3 s THR 33 CO 0.00 0.10 1.28 0.33 -0.69 0.00 0.00 174.62 175.64 1fa3 n PHE 34 N 4.81 2.25 -0.01 4.92 7.35 -1.26 0.32 117.46 135.85 1fa3 n PHE 34 Ca -0.15 0.56 -0.02 0.00 -0.76 0.00 0.00 57.45 57.07 1fa3 n PHE 34 Cb 0.51 -2.41 -0.01 0.00 0.35 0.00 0.00 39.48 37.92 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 0.77 0.84 -3.30 -2.13 2.85 0.14 -4.75 115.26 109.68 1fa3 n ASN 35 Ca 0.05 0.13 -0.03 0.00 -0.11 0.00 0.00 54.58 54.61 1fa3 n ASN 35 Cb 0.36 -0.38 0.02 0.00 1.24 0.00 0.00 39.78 41.02 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 -3.31 0.66 -4.77 1.20 0.00 -1.04 -5.02 118.16 105.88 1fa3 n LYS 36 Ca -0.03 -1.51 -0.31 0.00 -0.00 0.00 0.00 58.31 56.46 1fa3 n LYS 36 Cb 0.13 2.04 -0.13 0.00 -0.00 0.00 0.00 35.03 37.06 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 -2.06 2.82 0.18 0.58 1.01 -1.26 -0.17 120.40 121.50 1fa3 s VAL 37 Ca 0.23 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1fa3 s VAL 37 Cb -0.03 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1fa3 s VAL 37 CO 0.06 0.43 0.03 0.27 0.00 0.00 0.00 175.10 175.88 1fa3 s ILE 38 N -0.85 0.57 0.78 2.22 -5.25 -0.48 -4.94 121.20 113.25 1fa3 s ILE 38 Ca 0.13 -1.97 -0.12 0.00 -0.99 0.00 0.00 60.65 57.71 1fa3 s ILE 38 Cb -0.10 -2.19 0.07 0.00 2.95 0.00 0.00 42.46 43.18 1fa3 s ILE 38 CO 0.04 -0.40 1.12 0.00 -1.79 0.00 0.00 174.94 173.91 1fa3 s ARG 39 N -3.96 2.04 0.62 0.37 1.04 -1.26 -3.78 118.95 114.01 1fa3 s ARG 39 Ca 0.26 1.36 -0.17 0.00 -1.04 0.00 0.00 55.73 56.14 1fa3 s ARG 39 Cb 0.07 -1.86 -0.02 0.00 -2.04 0.00 0.00 34.95 31.09 1fa3 s ARG 39 CO 0.05 -1.84 1.13 -1.25 -0.04 0.00 0.00 175.30 173.35 1fa3 s PRO 40 N -4.60 2.99 -0.29 3.89 0.04 -1.26 -4.87 135.00 130.90 1fa3 s PRO 40 Ca 0.65 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 1fa3 s PRO 40 Cb -0.20 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.47 1fa3 s PRO 40 CO 0.53 -1.12 0.12 0.00 0.04 0.00 0.00 177.00 176.57 1fa3 s MET 42 N 2.03 2.07 0.03 0.00 1.75 0.56 -0.64 119.30 125.08 1fa3 s MET 42 Ca 0.09 -0.96 0.09 0.00 -1.25 0.00 0.00 55.69 53.65 1fa3 s MET 42 Cb -0.16 -2.10 -0.03 0.00 2.84 0.00 0.00 34.83 35.38 1fa3 s MET 42 CO -0.35 0.55 -0.25 0.21 -0.65 0.00 0.00 175.02 174.53 1fa3 s LYS 43 N -1.00 1.80 -0.01 4.11 2.20 0.56 -0.33 119.74 127.06 1fa3 s LYS 43 Ca 0.12 -1.02 -0.07 0.00 -0.36 0.00 0.00 55.97 54.64 1fa3 s LYS 43 Cb -0.10 -1.90 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1fa3 s LYS 43 CO 0.02 0.50 0.15 0.21 -0.36 0.00 0.00 175.35 175.87 1fa3 s LYS 44 N -1.03 0.44 0.09 4.03 2.47 0.32 -1.66 119.74 124.40 1fa3 s LYS 44 Ca 0.10 -0.26 -0.28 0.00 -1.56 0.00 0.00 55.97 53.97 1fa3 s LYS 44 Cb -0.10 0.18 -0.06 0.00 -1.46 0.00 0.00 37.83 36.40 1fa3 s LYS 44 CO 0.01 -0.10 0.90 0.99 0.16 0.00 0.00 175.35 177.31 1fa3 s THR 45 N -1.09 4.57 -0.16 3.43 2.01 -1.26 -0.61 115.64 122.53 1fa3 s THR 45 Ca -0.12 1.93 -0.02 0.00 0.31 0.00 0.00 61.69 63.80 1fa3 s THR 45 Cb -0.06 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1fa3 s THR 45 CO 0.01 0.33 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.55 1fa3 s ILE 46 N -0.03 3.26 0.31 1.82 1.09 0.52 -4.57 121.20 123.61 1fa3 s ILE 46 Ca 0.44 -0.57 0.07 0.00 -1.10 0.00 0.00 60.65 59.49 1fa3 s ILE 46 Cb -0.22 -2.41 -0.03 0.00 -1.06 0.00 0.00 42.46 38.74 1fa3 s ILE 46 CO 0.28 0.50 0.25 -0.31 -0.10 0.00 0.00 174.94 175.56 1fa3 s TYR 47 N 0.62 2.94 0.00 3.97 1.51 -1.26 -0.63 117.35 124.51 1fa3 s TYR 47 Ca -0.06 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1fa3 s TYR 47 Cb -0.15 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1fa3 s TYR 47 CO 0.03 0.29 0.00 0.39 -1.11 0.00 0.00 175.55 175.15 1fa3 n GLU 48 N -1.30 0.76 0.00 -0.62 -0.58 0.50 -4.64 120.64 114.75 1fa3 n GLU 48 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1fa3 n GLU 48 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 1fa3 n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1fa3 n ASN 49 N -2.69 0.00 -4.12 1.62 2.85 -1.14 -4.40 115.26 107.39 1fa3 n ASN 49 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.11 1fa3 n ASN 49 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1fa3 n ASN 49 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1fa3 n GLU 50 N -0.82 1.67 -0.20 1.20 2.13 -1.26 -3.73 120.64 119.63 1fa3 n GLU 50 Ca 0.00 -2.23 0.00 0.00 0.66 0.00 0.00 57.16 55.59 1fa3 n GLU 50 Cb 0.00 -3.33 0.00 0.00 0.27 0.00 0.00 31.44 28.38 1fa3 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fa3 n GLY 51 N 5.14 -0.49 1.38 8.31 0.00 -1.26 -5.06 105.19 113.22 1fa3 n GLY 51 Ca 0.47 -0.66 0.17 0.00 0.00 0.00 0.00 46.02 46.00 1fa3 n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fa3 n PHE 52 N -0.01 -3.61 -3.83 1.61 3.01 -1.24 -4.86 117.46 108.53 1fa3 n PHE 52 Ca 0.00 1.91 -0.36 0.00 1.01 0.00 0.00 57.45 60.01 1fa3 n PHE 52 Cb 0.00 -3.28 -0.07 0.00 -0.01 0.00 0.00 39.48 36.12 1fa3 n PHE 52 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1fa3 s ARG 53 N -3.42 3.80 0.08 -1.08 0.52 -1.26 -2.88 118.95 114.71 1fa3 s ARG 53 Ca 0.00 -0.19 -0.23 0.00 -0.52 0.00 0.00 55.73 54.79 1fa3 s ARG 53 Cb 0.00 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.24 1fa3 s ARG 53 CO 0.00 0.53 0.56 -2.00 0.02 0.00 0.00 175.30 174.41 1fa3 s GLU 54 N -0.31 1.12 -0.02 3.54 -6.30 -1.26 -4.96 118.70 110.50 1fa3 s GLU 54 Ca 0.11 -0.30 -0.30 0.00 -2.50 0.00 0.00 54.97 51.99 1fa3 s GLU 54 Cb -0.12 0.52 -0.07 0.00 0.00 0.00 0.00 34.13 34.46 1fa3 s GLU 54 CO 0.01 -0.43 1.86 0.42 0.02 0.00 0.00 175.26 177.14 1fa3 s ILE 55 N -2.85 3.24 -0.13 -3.70 1.01 -1.26 -0.37 121.20 117.13 1fa3 s ILE 55 Ca -0.03 0.29 0.17 0.00 0.00 0.00 0.00 60.65 61.08 1fa3 s ILE 55 Cb -0.00 -3.20 -0.24 0.00 0.01 0.00 0.00 42.46 39.03 1fa3 s ILE 55 CO -0.05 -0.04 0.39 1.17 0.00 0.00 0.00 174.94 176.41 1fa3 n LYS 56 N 7.50 0.66 0.00 2.79 4.81 0.20 -4.84 118.16 129.28 1fa3 n LYS 56 Ca 0.20 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1fa3 n LYS 56 Cb 0.42 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 1.58 1.01 3.18 3.14 0.00 -0.40 -0.39 105.19 113.31 1fa3 n GLY 57 Ca -0.22 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 0.20 -0.04 1.61 1.51 0.54 -0.35 117.35 118.81 1fa3 s TYR 58 Ca 0.00 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 1fa3 s TYR 58 Cb 0.00 -0.10 -0.01 0.00 -0.11 0.00 0.00 41.96 41.74 1fa3 s TYR 58 CO 0.00 -0.51 -0.19 -1.21 -1.11 0.00 0.00 175.55 172.53 1fa3 s GLU 59 N -3.74 1.94 -0.27 -0.62 2.02 0.22 -0.71 118.70 117.54 1fa3 s GLU 59 Ca 0.04 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1fa3 s GLU 59 Cb 0.05 -1.69 0.07 0.00 0.10 0.00 0.00 34.13 32.66 1fa3 s GLU 59 CO -0.10 0.29 -0.00 0.71 0.02 0.00 0.00 175.26 176.17 1fa3 s TYR 60 N -0.04 2.49 -0.22 1.61 2.02 0.73 -0.52 117.35 123.43 1fa3 s TYR 60 Ca -0.03 -1.96 -0.16 0.00 -0.37 0.00 0.00 57.07 54.55 1fa3 s TYR 60 Cb -0.12 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1fa3 s TYR 60 CO 0.02 -0.82 0.40 1.14 -1.57 0.00 0.00 175.55 174.72 1fa3 s GLN 61 N 1.35 4.14 0.03 -0.62 -2.07 0.55 -0.70 119.66 122.34 1fa3 s GLN 61 Ca 0.00 0.18 -0.10 0.00 -1.82 0.00 0.00 55.36 53.62 1fa3 s GLN 61 Cb -0.19 -3.56 0.01 0.00 -1.09 0.00 0.00 33.01 28.18 1fa3 s GLN 61 CO -0.10 -0.09 0.21 -0.48 -1.32 0.00 0.00 175.29 173.50 1fa3 s LEU 62 N 1.49 1.29 -0.51 2.60 0.05 0.07 -0.33 118.68 123.35 1fa3 s LEU 62 Ca 0.18 -0.27 -0.18 0.00 0.05 0.00 0.00 54.13 53.91 1fa3 s LEU 62 Cb -0.15 0.98 0.06 0.00 -2.05 0.00 0.00 46.19 45.04 1fa3 s LEU 62 CO 0.08 -0.52 0.59 -0.31 -0.55 0.00 0.00 176.35 175.65 1fa3 s TYR 63 N -2.20 3.08 -0.23 3.48 2.02 -1.21 -0.60 117.35 121.70 1fa3 s TYR 63 Ca -0.08 -0.64 -0.13 0.00 -0.37 0.00 0.00 57.07 55.86 1fa3 s TYR 63 Cb -0.03 -3.51 -0.05 0.00 -0.40 0.00 0.00 41.96 37.98 1fa3 s TYR 63 CO -0.02 -1.01 0.25 0.54 -1.57 0.00 0.00 175.55 173.75 1fa3 s VAL 64 N 2.46 5.30 -0.30 0.71 0.11 0.28 -1.38 120.40 127.58 1fa3 s VAL 64 Ca 0.13 0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 59.27 1fa3 s VAL 64 Cb -0.20 -3.59 0.01 0.00 -1.53 0.00 0.00 36.38 31.07 1fa3 s VAL 64 CO 0.11 0.31 1.08 -0.31 -3.33 0.00 0.00 175.10 172.95 1fa3 s TYR 65 N 1.18 3.17 -0.14 1.54 2.02 0.76 -0.56 117.35 125.32 1fa3 s TYR 65 Ca 0.12 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 58.08 1fa3 s TYR 65 Cb -0.14 -3.60 0.02 0.00 -0.40 0.00 0.00 41.96 37.83 1fa3 s TYR 65 CO 0.06 -0.75 -0.18 0.00 -1.57 0.00 0.00 175.55 173.11 1fa3 s ALA 66 N 3.57 2.05 0.00 3.71 0.00 0.25 -0.68 121.76 130.66 1fa3 s ALA 66 Ca 0.46 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1fa3 s ALA 66 Cb -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1fa3 s ALA 66 CO 0.14 -0.19 0.00 0.45 0.00 0.00 0.00 175.76 176.15 1fa3 n SER 67 N 4.38 0.00 0.00 0.00 2.88 0.15 -0.95 113.62 120.09 1fa3 n SER 67 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1fa3 n SER 67 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1fa3 n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1fa3 n ASP 68 N 2.47 0.00 -4.58 -3.46 5.75 -1.26 -4.87 116.55 110.60 1fa3 n ASP 68 Ca 0.00 -0.14 -0.32 0.00 -0.01 0.00 0.00 54.79 54.31 1fa3 n ASP 68 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1fa3 n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fa3 s LYS 69 N 0.00 2.52 -0.22 0.11 3.01 -0.12 -5.06 119.74 119.98 1fa3 s LYS 69 Ca 0.00 -0.74 -0.18 0.00 -1.01 0.00 0.00 55.97 54.04 1fa3 s LYS 69 Cb 0.00 -2.48 -0.03 0.00 -1.01 0.00 0.00 37.83 34.31 1fa3 s LYS 69 CO 0.00 0.60 0.50 -1.17 0.51 0.00 0.00 175.35 175.79 1fa3 s LEU 70 N -1.40 4.11 -0.00 3.17 2.96 -1.26 -0.59 118.68 125.67 1fa3 s LEU 70 Ca 0.17 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 1fa3 s LEU 70 Cb -0.11 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1fa3 s LEU 70 CO 0.07 -0.21 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.30 1fa3 s PHE 71 N 1.86 2.43 -0.58 5.38 0.40 0.28 -0.45 117.98 127.30 1fa3 s PHE 71 Ca 0.22 -0.36 -0.24 0.00 -0.60 0.00 0.00 56.93 55.96 1fa3 s PHE 71 Cb -0.15 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 41.93 1fa3 s PHE 71 CO 0.09 0.08 0.96 0.50 0.70 0.00 0.00 175.22 177.55 1fa3 s ARG 72 N -0.90 3.27 -0.21 0.44 6.06 0.72 -0.56 118.95 127.78 1fa3 s ARG 72 Ca 0.11 -0.40 -0.09 0.00 -2.50 0.00 0.00 55.73 52.86 1fa3 s ARG 72 Cb -0.10 -4.10 -0.04 0.00 0.06 0.00 0.00 34.95 30.77 1fa3 s ARG 72 CO 0.01 -1.59 0.10 0.00 -2.50 0.00 0.00 175.30 171.33 1fa3 s ALA 73 N 4.04 3.47 -0.42 6.12 0.00 0.23 -0.69 121.76 134.50 1fa3 s ALA 73 Ca 0.29 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1fa3 s ALA 73 Cb -0.13 -2.10 0.06 0.00 0.00 0.00 0.00 23.12 20.95 1fa3 s ALA 73 CO 0.17 -0.03 0.30 0.34 0.00 0.00 0.00 175.76 176.53 1fa3 s ASP 74 N 0.75 5.88 -0.23 0.00 2.15 0.25 -0.75 116.67 124.71 1fa3 s ASP 74 Ca 0.05 -1.26 -0.16 0.00 0.43 0.00 0.00 52.55 51.61 1fa3 s ASP 74 Cb -0.13 -2.08 -0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1fa3 s ASP 74 CO 0.02 -0.53 0.41 -0.63 -0.17 0.00 0.00 175.17 174.27 1fa3 s ILE 75 N 1.55 5.17 0.25 4.11 1.09 0.12 -0.59 121.20 132.90 1fa3 s ILE 75 Ca 0.03 0.68 -0.00 0.00 -1.10 0.00 0.00 60.65 60.27 1fa3 s ILE 75 Cb -0.22 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1fa3 s ILE 75 CO 0.05 0.19 0.44 -0.44 -0.10 0.00 0.00 174.94 175.09 1fa3 s SER 76 N 1.33 6.36 -0.10 3.58 0.01 0.60 -0.19 113.70 125.28 1fa3 s SER 76 Ca 0.18 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.84 1fa3 s SER 76 Cb -0.15 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.09 1fa3 s SER 76 CO 0.09 -0.13 -0.10 -0.70 0.41 0.00 0.00 173.24 172.81 1fa3 s GLU 77 N -3.68 1.67 -0.38 12.44 2.12 0.11 -1.04 118.70 129.94 1fa3 s GLU 77 Ca 0.39 -0.34 -0.17 0.00 0.36 0.00 0.00 54.97 55.21 1fa3 s GLU 77 Cb -0.10 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1fa3 s GLU 77 CO 0.31 -0.16 0.43 0.34 -0.54 0.00 0.00 175.26 175.64 1fa3 s ASP 78 N 1.32 6.22 0.55 -1.70 -1.08 0.32 -0.34 116.67 121.96 1fa3 s ASP 78 Ca -0.02 -0.36 0.24 0.00 -0.52 0.00 0.00 52.55 51.89 1fa3 s ASP 78 Cb -0.14 -2.23 1.55 0.00 -1.46 0.00 0.00 42.92 40.64 1fa3 s ASP 78 CO -0.04 -0.48 2.19 0.22 0.52 0.00 0.00 175.17 177.58 1fa3 h TYR 79 N 8.58 0.00 -0.05 -5.34 3.20 -1.03 0.32 116.97 122.65 1fa3 h TYR 79 Ca -0.28 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.61 1fa3 h TYR 79 Cb 1.13 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1fa3 h TYR 79 CO 0.67 0.03 0.07 -0.22 -1.64 0.00 0.00 178.16 177.06 1fa3 h LYS 80 N 0.00 0.00 0.00 1.82 1.63 -1.93 -2.96 116.57 115.13 1fa3 h LYS 80 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fa3 h LYS 80 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1fa3 h LYS 80 CO 0.00 0.00 -0.24 2.41 -3.45 0.00 0.00 179.45 178.18 1fa3 n THR 81 N -3.73 0.00 -3.79 1.00 -1.04 -1.03 -5.01 114.28 100.67 1fa3 n THR 81 Ca -0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.70 1fa3 n THR 81 Cb 0.16 0.52 0.02 0.00 -1.82 0.00 0.00 70.33 69.20 1fa3 n THR 81 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1fa3 n ARG 82 N 0.00 -4.90 -4.69 -2.82 0.63 0.11 -4.96 116.66 100.03 1fa3 n ARG 82 Ca 0.00 0.57 -0.33 0.00 -0.92 0.00 0.00 57.85 57.17 1fa3 n ARG 82 Cb 0.59 -5.42 -0.12 0.00 0.45 0.00 0.00 32.46 27.96 1fa3 n ARG 82 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1fa3 s GLY 83 N -3.15 1.64 0.38 5.14 0.00 -0.95 -4.87 107.32 105.51 1fa3 s GLY 83 Ca 0.61 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 44.50 1fa3 s GLY 83 CO 0.75 -0.60 0.44 0.50 0.00 0.00 0.00 173.10 174.19 1fa3 s ARG 84 N -0.59 2.83 -0.29 2.90 0.52 -1.26 -0.52 118.95 122.53 1fa3 s ARG 84 Ca 0.09 -1.25 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 1fa3 s ARG 84 Cb -0.12 -2.64 0.15 0.00 0.52 0.00 0.00 34.95 32.87 1fa3 s ARG 84 CO 0.02 -0.09 1.00 -1.59 0.02 0.00 0.00 175.30 174.66 1fa3 s LYS 85 N -4.18 0.37 -0.21 3.54 0.00 -0.21 -4.97 119.74 114.08 1fa3 s LYS 85 Ca 0.48 0.62 -0.29 0.00 0.00 0.00 0.00 55.97 56.78 1fa3 s LYS 85 Cb -0.08 0.08 -0.02 0.00 0.00 0.00 0.00 37.83 37.81 1fa3 s LYS 85 CO 0.30 -0.07 1.52 -1.17 0.00 0.00 0.00 175.35 175.93 1fa3 s LEU 86 N 1.23 3.99 -0.17 2.77 2.96 -1.26 -0.29 118.68 127.91 1fa3 s LEU 86 Ca -0.08 1.64 -0.14 0.00 -0.22 0.00 0.00 54.13 55.33 1fa3 s LEU 86 Cb -0.04 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 1fa3 s LEU 86 CO -0.14 -1.12 -0.10 0.18 -1.32 0.00 0.00 176.35 173.85 1fa3 n LEU 87 N 7.89 1.84 -4.16 -0.68 7.99 0.24 -4.95 117.00 125.18 1fa3 n LEU 87 Ca 0.17 0.54 -0.23 0.00 -0.01 0.00 0.00 56.01 56.47 1fa3 n LEU 87 Cb 0.45 -0.88 -0.15 0.00 -0.11 0.00 0.00 43.42 42.73 1fa3 n LEU 87 CO 0.63 -0.20 -0.49 -0.13 -1.51 0.00 0.00 177.39 175.69 1fa3 s ARG 88 N -2.35 1.26 -0.36 3.23 0.52 -1.20 -5.01 118.95 115.05 1fa3 s ARG 88 Ca -0.21 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1fa3 s ARG 88 Cb 0.04 -1.25 0.13 0.00 0.52 0.00 0.00 34.95 34.39 1fa3 s ARG 88 CO 0.35 0.33 0.20 0.12 0.02 0.00 0.00 175.30 176.33 1fa3 s PHE 89 N -0.53 0.92 0.27 -0.53 5.36 -1.26 -0.58 117.98 121.63 1fa3 s PHE 89 Ca 0.06 -1.69 0.08 0.00 -0.96 0.00 0.00 56.93 54.41 1fa3 s PHE 89 Cb -0.07 -1.09 -0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1fa3 s PHE 89 CO 0.00 -0.82 0.17 -0.80 -1.46 0.00 0.00 175.22 172.31 1fa3 s ASN 90 N 1.05 5.30 0.00 6.13 -0.87 0.13 -4.95 114.94 121.74 1fa3 s ASN 90 Ca 0.17 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 1fa3 s ASN 90 Cb -0.23 -1.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.77 1fa3 s ASN 90 CO -0.03 -0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.04 1fa3 n GLY 91 N -1.15 -0.46 3.76 0.66 0.00 -1.26 -0.20 105.19 106.54 1fa3 n GLY 91 Ca -0.07 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 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 0.00 3.63 -0.18 1.61 0.04 -1.26 -5.01 135.00 133.83 1fa3 s PRO 92 Ca 0.00 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 1fa3 s PRO 92 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1fa3 s PRO 92 CO 0.00 -0.71 0.07 0.14 0.04 0.00 0.00 177.00 176.54 1fa3 s VAL 93 N -1.43 4.86 0.70 -0.36 -7.23 0.41 -4.99 120.40 112.36 1fa3 s VAL 93 Ca 0.64 -0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1fa3 s VAL 93 Cb -0.33 -3.19 0.01 0.00 0.56 0.00 0.00 36.38 33.42 1fa3 s VAL 93 CO 0.41 0.46 1.07 -2.16 -0.31 0.00 0.00 175.10 174.57 1fa3 s PRO 94 N 0.33 2.92 0.59 4.82 0.04 -1.26 -4.12 135.00 138.32 1fa3 s PRO 94 Ca 0.04 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 61.59 1fa3 s PRO 94 Cb -0.12 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1fa3 s PRO 94 CO -0.00 -1.04 1.18 -1.25 0.04 0.00 0.00 177.00 175.92 1fa3 s PRO 95 N -5.19 3.05 0.00 0.56 0.04 -1.26 -5.09 135.00 127.10 1fa3 s PRO 95 Ca 0.58 1.73 0.12 0.00 0.04 0.00 0.00 61.00 63.47 1fa3 s PRO 95 Cb -0.12 -1.95 0.75 0.00 0.04 0.00 0.00 34.50 33.21 1fa3 s PRO 95 CO 0.54 -1.12 1.17 -0.35 0.04 0.00 0.00 177.00 177.28