#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 -5.06 -4.63 1.61 4.07 -1.26 -5.01 120.64 110.36 1fa3 n GLU 2 Ca 0.00 0.63 -0.33 0.00 -0.06 0.00 0.00 57.16 57.40 1fa3 n GLU 2 Cb 0.00 -5.24 -0.14 0.00 -0.06 0.00 0.00 31.44 26.01 1fa3 n GLU 2 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1fa3 s TRP 3 N -3.63 2.88 0.05 4.31 0.52 -1.26 -4.50 118.94 117.30 1fa3 s TRP 3 Ca 0.04 -0.56 0.09 0.00 0.02 0.00 0.00 56.10 55.69 1fa3 s TRP 3 Cb -0.02 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1fa3 s TRP 3 CO 0.81 -0.18 -0.26 -1.21 0.02 0.00 0.00 176.95 176.13 1fa3 s GLU 4 N 0.41 1.75 0.25 4.98 8.01 -0.32 -4.93 118.70 128.85 1fa3 s GLU 4 Ca -0.08 -1.09 -0.22 0.00 0.01 0.00 0.00 54.97 53.58 1fa3 s GLU 4 Cb -0.15 -1.92 -0.09 0.00 -4.31 0.00 0.00 34.13 27.66 1fa3 s GLU 4 CO 0.04 0.50 0.80 0.42 0.01 0.00 0.00 175.26 177.04 1fa3 s ILE 5 N -0.80 4.43 0.34 -1.63 1.09 -1.26 -0.31 121.20 123.06 1fa3 s ILE 5 Ca 0.11 1.50 0.10 0.00 -1.10 0.00 0.00 60.65 61.26 1fa3 s ILE 5 Cb -0.10 -3.93 -0.06 0.00 -1.06 0.00 0.00 42.46 37.31 1fa3 s ILE 5 CO 0.02 0.20 -0.08 0.27 -0.10 0.00 0.00 174.94 175.25 1fa3 s ILE 6 N -1.53 2.30 0.35 2.92 -4.36 0.04 -4.92 121.20 115.99 1fa3 s ILE 6 Ca 0.45 -2.18 -0.27 0.00 -0.26 0.00 0.00 60.65 58.39 1fa3 s ILE 6 Cb -0.18 -2.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 1fa3 s ILE 6 CO 0.22 -0.21 1.19 -1.81 0.24 0.00 0.00 174.94 174.57 1fa3 s ASP 7 N -3.62 6.80 -0.24 4.36 1.11 -1.26 -4.61 116.67 119.20 1fa3 s ASP 7 Ca 0.33 2.42 -0.21 0.00 0.18 0.00 0.00 52.55 55.26 1fa3 s ASP 7 Cb 0.02 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1fa3 s ASP 7 CO 0.17 -0.49 0.67 0.27 1.18 0.00 0.00 175.17 176.97 1fa3 s ILE 8 N -1.27 4.96 0.00 0.77 -5.25 -1.26 -4.70 121.20 114.45 1fa3 s ILE 8 Ca 0.51 1.24 0.00 0.00 -0.99 0.00 0.00 60.65 61.41 1fa3 s ILE 8 Cb -0.33 -3.98 0.00 0.00 2.95 0.00 0.00 42.46 41.10 1fa3 s ILE 8 CO 0.43 0.02 0.00 0.61 -1.79 0.00 0.00 174.94 174.21 1fa3 n GLY 9 N 4.02 1.67 0.25 6.27 0.00 -1.26 -4.99 105.19 111.15 1fa3 n GLY 9 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.54 -0.17 1.61 0.13 -1.98 0.20 132.00 132.33 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 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 30.94 1fa3 h PRO 10 CO 0.00 0.36 -0.48 0.35 -0.23 0.00 0.00 178.00 178.00 1fa3 h PHE 11 N 0.56 -1.41 -0.45 1.56 3.57 -1.97 0.15 116.94 118.95 1fa3 h PHE 11 Ca 0.32 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1fa3 h PHE 11 Cb 0.33 0.64 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1fa3 h PHE 11 CO -0.12 -0.51 0.09 1.15 -2.23 0.00 0.00 178.31 176.69 1fa3 h THR 12 N -0.52 1.24 -0.19 4.41 2.02 -1.44 -1.01 112.91 117.42 1fa3 h THR 12 Ca 0.06 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1fa3 h THR 12 Cb 0.65 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1fa3 h THR 12 CO -0.44 0.30 -0.03 1.56 0.37 0.00 0.00 175.52 177.28 1fa3 h GLN 13 N 0.61 0.02 -0.15 6.66 4.20 -0.56 0.82 115.11 126.70 1fa3 h GLN 13 Ca 0.14 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1fa3 h GLN 13 Cb 0.36 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1fa3 h GLN 13 CO 0.01 0.01 -0.17 -0.97 -0.67 0.00 0.00 178.83 177.03 1fa3 h ASN 14 N 0.02 -0.54 -0.55 1.46 -0.73 -0.12 0.30 115.58 115.42 1fa3 h ASN 14 Ca 0.09 0.10 0.01 0.00 1.87 0.00 0.00 56.30 58.36 1fa3 h ASN 14 Cb 0.13 0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 1fa3 h ASN 14 CO -0.18 -0.22 0.36 -0.07 -0.37 0.00 0.00 177.43 176.95 1fa3 h LEU 15 N -0.21 0.63 -0.62 0.34 3.38 -0.93 0.54 115.31 118.45 1fa3 h LEU 15 Ca 0.10 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1fa3 h LEU 15 Cb 0.36 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1fa3 h LEU 15 CO -0.27 0.45 0.34 1.23 0.09 0.00 0.00 178.44 180.29 1fa3 h GLY 16 N 0.74 0.89 0.79 0.83 0.00 -0.22 0.13 103.07 106.23 1fa3 h GLY 16 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1fa3 h GLY 16 CO -0.04 0.17 -0.02 1.70 0.00 0.00 0.00 176.54 178.34 1fa3 h LYS 17 N 0.65 -0.06 -0.61 4.80 3.11 0.22 -0.77 116.57 123.92 1fa3 h LYS 17 Ca 0.27 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.23 1fa3 h LYS 17 Cb 0.13 0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 31.28 1fa3 h LYS 17 CO -0.16 0.17 0.06 0.35 -2.81 0.00 0.00 179.45 177.06 1fa3 h PHE 18 N -0.27 0.07 0.13 1.91 3.57 -0.70 0.35 116.94 122.00 1fa3 h PHE 18 Ca -0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1fa3 h PHE 18 Cb 0.25 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1fa3 h PHE 18 CO -0.00 -0.11 -0.16 0.00 -2.23 0.00 0.00 178.31 175.80 1fa3 h ALA 19 N 1.52 -0.30 -0.89 2.41 0.00 -0.31 0.12 119.26 121.82 1fa3 h ALA 19 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1fa3 h ALA 19 Cb 0.50 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1fa3 h ALA 19 CO -0.47 -0.70 0.56 0.28 0.00 0.00 0.00 179.25 178.92 1fa3 h VAL 20 N -0.34 1.24 -0.03 0.00 2.07 -0.55 0.01 116.25 118.65 1fa3 h VAL 20 Ca 0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1fa3 h VAL 20 Cb 0.34 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1fa3 h VAL 20 CO -0.07 0.24 0.02 -0.78 0.02 0.00 0.00 177.57 177.00 1fa3 h ASP 21 N 1.22 0.04 -0.12 0.57 3.58 0.37 0.18 116.42 122.26 1fa3 h ASP 21 Ca 0.32 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.70 1fa3 h ASP 21 Cb -0.09 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1fa3 h ASP 21 CO -0.06 0.13 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.30 1fa3 h GLU 22 N -0.05 -0.03 -0.14 0.28 4.81 -0.50 0.20 114.58 119.15 1fa3 h GLU 22 Ca 0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1fa3 h GLU 22 Cb 0.10 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1fa3 h GLU 22 CO -0.00 -0.02 -0.12 1.49 -0.73 0.00 0.00 179.01 179.63 1fa3 h GLU 23 N -0.03 -0.12 -0.94 1.92 4.22 -0.75 -0.97 114.58 117.91 1fa3 h GLU 23 Ca 0.06 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1fa3 h GLU 23 Cb 0.13 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1fa3 h GLU 23 CO -0.14 -0.08 0.59 -0.91 -2.18 0.00 0.00 179.01 176.29 1fa3 h ASN 24 N -0.13 1.11 -0.75 1.04 4.21 -0.36 0.26 115.58 120.96 1fa3 h ASN 24 Ca 0.09 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.57 1fa3 h ASN 24 Cb 0.26 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 1fa3 h ASN 24 CO -0.22 0.83 0.49 0.50 -1.29 0.00 0.00 177.43 177.74 1fa3 h LYS 25 N 1.29 0.95 -0.31 0.81 1.63 0.42 -1.54 116.57 119.82 1fa3 h LYS 25 Ca 0.34 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1fa3 h LYS 25 Cb -0.10 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.31 1fa3 h LYS 25 CO -0.07 0.63 -0.08 0.82 -3.45 0.00 0.00 179.45 177.30 1fa3 h ILE 26 N 0.98 1.28 0.00 2.00 2.04 -0.78 -3.48 117.51 119.55 1fa3 h ILE 26 Ca 0.28 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1fa3 h ILE 26 Cb -0.07 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1fa3 h ILE 26 CO -0.08 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1fa3 n GLY 27 N -0.17 0.51 0.36 5.37 0.00 0.87 -4.97 105.19 107.17 1fa3 n GLY 27 Ca -0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.15 -0.73 1.61 4.15 -1.85 0.68 115.11 120.13 1fa3 h GLN 28 Ca 0.00 -0.10 -0.46 0.00 0.77 0.00 0.00 58.65 58.86 1fa3 h GLN 28 Cb 0.23 -0.24 -0.26 0.00 0.21 0.00 0.00 27.48 27.42 1fa3 h GLN 28 CO 0.00 0.81 0.17 0.66 -1.93 0.00 0.00 178.83 178.54 1fa3 n TYR 29 N -4.37 2.38 -4.38 3.99 4.02 -1.26 -5.08 117.16 112.47 1fa3 n TYR 29 Ca 0.09 -2.18 0.00 0.00 -0.01 0.00 0.00 57.90 55.81 1fa3 n TYR 29 Cb 0.06 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 38.56 1fa3 n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fa3 n GLY 30 N -0.99 2.61 3.32 2.72 0.00 0.23 -4.15 105.19 108.93 1fa3 n GLY 30 Ca 0.49 -0.38 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 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 3.48 0.99 1.61 0.52 -1.26 -4.42 118.95 119.88 1fa3 s ARG 31 Ca 0.00 -2.33 -0.15 0.00 -0.52 0.00 0.00 55.73 52.73 1fa3 s ARG 31 Cb 0.00 -4.40 0.19 0.00 0.52 0.00 0.00 34.95 31.26 1fa3 s ARG 31 CO 0.00 -1.30 1.16 -0.51 0.02 0.00 0.00 175.30 174.68 1fa3 s LEU 32 N 0.41 1.80 -0.27 2.53 1.43 -1.26 -5.08 118.68 118.25 1fa3 s LEU 32 Ca 0.15 0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1fa3 s LEU 32 Cb -0.14 -2.90 0.09 0.00 0.03 0.00 0.00 46.19 43.27 1fa3 s LEU 32 CO -0.07 -3.00 0.11 -0.89 0.23 0.00 0.00 176.35 172.74 1fa3 s THR 33 N -3.30 0.13 0.20 5.49 2.01 -1.26 -4.99 115.64 113.92 1fa3 s THR 33 Ca 0.67 -0.75 -0.32 0.00 0.31 0.00 0.00 61.69 61.60 1fa3 s THR 33 Cb -0.12 -1.03 -0.14 0.00 0.01 0.00 0.00 72.50 71.22 1fa3 s THR 33 CO 0.54 -0.60 1.31 0.33 -0.69 0.00 0.00 174.62 175.51 1fa3 n PHE 34 N 5.17 1.79 -0.05 4.92 -0.00 -1.26 0.11 117.46 128.14 1fa3 n PHE 34 Ca -0.06 0.53 -0.05 0.00 -0.00 0.00 0.00 57.45 57.88 1fa3 n PHE 34 Cb 0.44 -2.38 -0.02 0.00 -0.00 0.00 0.00 39.48 37.51 1fa3 n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1fa3 n ASN 35 N 2.17 1.23 -3.65 -2.13 2.85 0.29 -4.79 115.26 111.24 1fa3 n ASN 35 Ca 0.13 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1fa3 n ASN 35 Cb 0.28 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.71 1fa3 n ASN 35 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1fa3 s LYS 36 N -2.20 0.66 0.11 1.20 -2.85 -0.68 -5.03 119.74 110.95 1fa3 s LYS 36 Ca -0.17 -0.40 0.07 0.00 -1.00 0.00 0.00 55.97 54.47 1fa3 s LYS 36 Cb 0.02 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1fa3 s LYS 36 CO 0.25 -0.31 -0.09 0.54 0.10 0.00 0.00 175.35 175.84 1fa3 s VAL 37 N -2.36 3.41 0.19 1.79 0.11 -1.26 -0.11 120.40 122.18 1fa3 s VAL 37 Ca 0.20 -1.26 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1fa3 s VAL 37 Cb 0.01 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 1fa3 s VAL 37 CO -0.00 0.10 0.09 0.27 -3.33 0.00 0.00 175.10 172.23 1fa3 s ILE 38 N -1.24 0.21 0.74 7.04 -4.36 -0.60 -4.93 121.20 118.07 1fa3 s ILE 38 Ca 0.22 -1.98 -0.15 0.00 -0.26 0.00 0.00 60.65 58.48 1fa3 s ILE 38 Cb -0.11 -2.39 0.05 0.00 1.25 0.00 0.00 42.46 41.26 1fa3 s ILE 38 CO 0.14 -0.15 1.21 0.00 0.24 0.00 0.00 174.94 176.37 1fa3 s ARG 39 N -4.08 2.06 0.51 0.37 3.03 -1.26 -3.92 118.95 115.66 1fa3 s ARG 39 Ca 0.34 1.76 -0.20 0.00 2.03 0.00 0.00 55.73 59.66 1fa3 s ARG 39 Cb 0.07 -1.82 -0.07 0.00 -1.03 0.00 0.00 34.95 32.09 1fa3 s ARG 39 CO 0.09 -1.89 1.07 -1.25 -1.13 0.00 0.00 175.30 172.19 1fa3 s PRO 40 N -3.95 3.64 -0.26 3.89 0.04 -1.26 -4.84 135.00 132.25 1fa3 s PRO 40 Ca 0.74 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1fa3 s PRO 40 Cb -0.29 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.28 1fa3 s PRO 40 CO 0.46 -0.58 0.14 0.00 0.04 0.00 0.00 177.00 177.07 1fa3 s MET 42 N 2.14 1.87 0.19 0.00 1.75 0.08 -0.78 119.30 124.55 1fa3 s MET 42 Ca 0.08 -0.94 0.08 0.00 -1.25 0.00 0.00 55.69 53.66 1fa3 s MET 42 Cb -0.16 -1.88 -0.05 0.00 2.84 0.00 0.00 34.83 35.58 1fa3 s MET 42 CO -0.31 0.51 -0.15 -1.59 -0.65 0.00 0.00 175.02 172.83 1fa3 s LYS 43 N -0.80 1.29 0.02 4.11 -2.85 0.58 -0.11 119.74 121.98 1fa3 s LYS 43 Ca 0.10 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.97 53.43 1fa3 s LYS 43 Cb -0.09 -1.14 0.01 0.00 -2.06 0.00 0.00 37.83 34.55 1fa3 s LYS 43 CO 0.00 0.20 0.22 0.21 0.10 0.00 0.00 175.35 176.08 1fa3 s LYS 44 N -3.43 0.66 0.10 1.78 2.20 -0.23 -1.17 119.74 119.66 1fa3 s LYS 44 Ca 0.20 -0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 55.10 1fa3 s LYS 44 Cb -0.02 0.28 -0.07 0.00 -1.51 0.00 0.00 37.83 36.51 1fa3 s LYS 44 CO 0.06 -0.19 0.74 0.99 -0.36 0.00 0.00 175.35 176.60 1fa3 s THR 45 N -2.04 4.57 -0.15 3.43 2.01 -1.26 -0.70 115.64 121.49 1fa3 s THR 45 Ca -0.09 1.61 -0.03 0.00 0.31 0.00 0.00 61.69 63.49 1fa3 s THR 45 Cb -0.03 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1fa3 s THR 45 CO -0.01 0.46 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.70 1fa3 s ILE 46 N -0.68 3.75 0.39 1.82 1.09 0.49 -4.89 121.20 123.18 1fa3 s ILE 46 Ca 0.36 -0.41 0.08 0.00 -1.10 0.00 0.00 60.65 59.58 1fa3 s ILE 46 Cb -0.22 -2.64 -0.06 0.00 -1.06 0.00 0.00 42.46 38.49 1fa3 s ILE 46 CO 0.24 0.50 0.11 -0.31 -0.10 0.00 0.00 174.94 175.38 1fa3 s TYR 47 N 0.38 2.59 0.19 3.97 1.51 -1.26 -0.78 117.35 123.95 1fa3 s TYR 47 Ca -0.05 -0.55 0.11 0.00 -1.01 0.00 0.00 57.07 55.57 1fa3 s TYR 47 Cb -0.14 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1fa3 s TYR 47 CO 0.03 0.31 -0.20 -1.21 -1.11 0.00 0.00 175.55 173.37 1fa3 s GLU 48 N -3.83 1.66 -0.15 -0.62 0.41 0.61 -4.69 118.70 112.08 1fa3 s GLU 48 Ca 0.38 -1.46 -0.15 0.00 -0.41 0.00 0.00 54.97 53.33 1fa3 s GLU 48 Cb 0.03 -1.93 -0.23 0.00 -1.78 0.00 0.00 34.13 30.22 1fa3 s GLU 48 CO 0.21 0.41 0.35 -0.97 -0.49 0.00 0.00 175.26 174.77 1fa3 h ASN 49 N 3.13 0.23 -3.56 -0.19 -1.24 -1.98 -2.93 115.58 109.03 1fa3 h ASN 49 Ca -0.46 -0.74 -0.57 0.00 0.71 0.00 0.00 56.30 55.23 1fa3 h ASN 49 Cb 1.21 -0.07 0.15 0.00 0.73 0.00 0.00 38.32 40.34 1fa3 h ASN 49 CO 0.49 1.64 0.22 -1.84 -1.29 0.00 0.00 177.43 176.66 1fa3 n GLU 50 N -4.00 1.14 0.00 6.67 0.28 -1.26 -3.74 120.64 119.73 1fa3 n GLU 50 Ca -0.30 0.43 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1fa3 n GLU 50 Cb 0.85 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1fa3 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fa3 n GLY 51 N 1.17 1.57 2.70 -1.84 0.00 -1.26 -4.43 105.19 103.09 1fa3 n GLY 51 Ca 0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -1.65 -2.58 1.61 7.35 -1.25 -5.08 117.46 115.86 1fa3 n PHE 52 Ca 0.00 -1.03 -0.00 0.00 -0.76 0.00 0.00 57.45 55.66 1fa3 n PHE 52 Cb 0.00 1.26 0.00 0.00 0.35 0.00 0.00 39.48 41.09 1fa3 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1fa3 n ARG 53 N 1.94 -3.11 -3.88 -4.13 0.63 -1.25 -5.08 116.66 101.78 1fa3 n ARG 53 Ca 0.07 2.54 -0.11 0.00 -0.92 0.00 0.00 57.85 59.43 1fa3 n ARG 53 Cb 0.66 -4.89 -0.12 0.00 0.45 0.00 0.00 32.46 28.55 1fa3 n ARG 53 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1fa3 s GLU 54 N -1.45 0.19 0.13 -0.14 2.12 -1.11 -5.01 118.70 113.43 1fa3 s GLU 54 Ca 0.00 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.88 1fa3 s GLU 54 Cb -0.00 0.08 -0.09 0.00 0.26 0.00 0.00 34.13 34.38 1fa3 s GLU 54 CO 0.70 -0.03 1.47 0.42 -0.54 0.00 0.00 175.26 177.27 1fa3 s ILE 55 N -0.51 3.03 -0.07 -3.70 1.01 -1.26 -0.28 121.20 119.42 1fa3 s ILE 55 Ca -0.06 0.73 0.11 0.00 0.00 0.00 0.00 60.65 61.43 1fa3 s ILE 55 Cb -0.04 -3.47 -0.16 0.00 0.01 0.00 0.00 42.46 38.81 1fa3 s ILE 55 CO 0.00 0.05 0.13 1.17 0.00 0.00 0.00 174.94 176.30 1fa3 n LYS 56 N 4.02 1.43 -0.63 2.79 4.81 0.04 -4.84 118.16 125.78 1fa3 n LYS 56 Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1fa3 n LYS 56 Cb 0.41 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.18 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 2.12 0.99 3.10 3.14 0.00 -0.40 -0.48 105.19 113.65 1fa3 n GLY 57 Ca -0.11 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.60 0.30 0.02 1.61 1.51 0.11 -0.38 117.35 117.92 1fa3 s TYR 58 Ca 0.00 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1fa3 s TYR 58 Cb 0.00 -0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 1fa3 s TYR 58 CO 0.00 -0.36 -0.25 -1.21 -1.11 0.00 0.00 175.55 172.62 1fa3 s GLU 59 N -2.95 1.86 -0.23 -0.62 8.01 0.13 -0.48 118.70 124.42 1fa3 s GLU 59 Ca -0.02 -0.99 -0.01 0.00 0.01 0.00 0.00 54.97 53.95 1fa3 s GLU 59 Cb 0.01 -1.92 0.07 0.00 -4.31 0.00 0.00 34.13 27.97 1fa3 s GLU 59 CO -0.06 0.51 0.02 0.71 0.01 0.00 0.00 175.26 176.44 1fa3 s TYR 60 N -0.70 1.62 -0.23 1.61 1.51 0.44 -1.07 117.35 120.53 1fa3 s TYR 60 Ca 0.10 -1.32 -0.07 0.00 -1.01 0.00 0.00 57.07 54.77 1fa3 s TYR 60 Cb -0.10 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1fa3 s TYR 60 CO 0.01 -0.71 0.07 -1.14 -1.11 0.00 0.00 175.55 172.67 1fa3 s GLN 61 N 1.65 3.77 0.18 -0.62 0.74 0.84 -0.59 119.66 125.64 1fa3 s GLN 61 Ca -0.01 -0.43 -0.14 0.00 0.05 0.00 0.00 55.36 54.83 1fa3 s GLN 61 Cb -0.18 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.64 1fa3 s GLN 61 CO -0.10 -0.05 0.44 -0.48 -0.55 0.00 0.00 175.29 174.55 1fa3 s LEU 62 N 1.24 0.40 -0.33 3.68 -0.00 -0.07 -0.74 118.68 122.86 1fa3 s LEU 62 Ca 0.05 -0.62 -0.10 0.00 -0.00 0.00 0.00 54.13 53.46 1fa3 s LEU 62 Cb -0.14 1.80 0.01 0.00 -0.00 0.00 0.00 46.19 47.85 1fa3 s LEU 62 CO 0.04 -0.99 0.17 -0.31 -0.00 0.00 0.00 176.35 175.25 1fa3 s TYR 63 N -3.91 3.20 -0.14 3.48 2.02 -1.19 -0.69 117.35 120.12 1fa3 s TYR 63 Ca 0.12 -0.74 -0.16 0.00 -0.37 0.00 0.00 57.07 55.93 1fa3 s TYR 63 Cb 0.01 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1fa3 s TYR 63 CO -0.02 -0.53 0.37 0.08 -1.57 0.00 0.00 175.55 173.88 1fa3 s VAL 64 N 1.58 5.26 -0.26 0.71 1.01 0.61 -1.56 120.40 127.76 1fa3 s VAL 64 Ca 0.03 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 1fa3 s VAL 64 Cb -0.18 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1fa3 s VAL 64 CO 0.06 0.36 0.49 -0.47 0.00 0.00 0.00 175.10 175.55 1fa3 s TYR 65 N 0.52 3.27 -0.05 5.22 5.04 0.84 -0.47 117.35 131.74 1fa3 s TYR 65 Ca 0.20 0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1fa3 s TYR 65 Cb -0.14 -2.69 0.03 0.00 0.35 0.00 0.00 41.96 39.51 1fa3 s TYR 65 CO 0.06 -0.26 0.10 0.00 -1.34 0.00 0.00 175.55 174.12 1fa3 s ALA 66 N 2.21 -0.15 -1.49 3.97 0.00 0.17 -0.55 121.76 125.91 1fa3 s ALA 66 Ca 0.21 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1fa3 s ALA 66 Cb -0.16 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.69 1fa3 s ALA 66 CO 0.09 -0.12 0.67 0.45 0.00 0.00 0.00 175.76 176.85 1fa3 n SER 67 N 3.98 -2.13 -1.09 0.00 2.88 0.12 -0.73 113.62 116.64 1fa3 n SER 67 Ca -0.24 -0.93 -0.11 0.00 -1.33 0.00 0.00 58.87 56.26 1fa3 n SER 67 Cb 0.53 -3.30 -0.05 0.00 -0.75 0.00 0.00 64.21 60.64 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 -2.88 -3.76 -4.50 -3.46 5.68 -1.26 -4.97 116.55 101.40 1fa3 n ASP 68 Ca -0.14 0.27 -0.28 0.00 -0.50 0.00 0.00 54.79 54.14 1fa3 n ASP 68 Cb 0.60 -3.22 -0.11 0.00 -1.14 0.00 0.00 41.12 37.26 1fa3 n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1fa3 s LYS 69 N -2.77 1.82 -0.19 0.11 3.01 0.09 -5.12 119.74 116.68 1fa3 s LYS 69 Ca 0.00 -1.25 -0.14 0.00 -1.01 0.00 0.00 55.97 53.57 1fa3 s LYS 69 Cb 0.00 -2.09 -0.04 0.00 -1.01 0.00 0.00 37.83 34.69 1fa3 s LYS 69 CO 0.00 0.46 0.30 -1.17 0.51 0.00 0.00 175.35 175.45 1fa3 s LEU 70 N -2.39 4.18 -0.03 3.17 2.96 -1.18 -0.66 118.68 124.74 1fa3 s LEU 70 Ca 0.20 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1fa3 s LEU 70 Cb -0.10 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1fa3 s LEU 70 CO 0.11 0.03 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.66 1fa3 s PHE 71 N 0.91 1.47 0.09 5.38 0.40 0.38 -0.49 117.98 126.13 1fa3 s PHE 71 Ca 0.15 -0.37 -0.24 0.00 -0.60 0.00 0.00 56.93 55.87 1fa3 s PHE 71 Cb -0.14 -0.99 -0.07 0.00 0.51 0.00 0.00 43.02 42.34 1fa3 s PHE 71 CO 0.05 -0.11 0.74 0.50 0.70 0.00 0.00 175.22 177.10 1fa3 s ARG 72 N -0.04 4.48 -0.02 0.44 3.00 0.65 -0.28 118.95 127.18 1fa3 s ARG 72 Ca -0.01 1.04 0.05 0.00 -1.00 0.00 0.00 55.73 55.82 1fa3 s ARG 72 Cb -0.09 -3.31 -0.01 0.00 0.00 0.00 0.00 34.95 31.54 1fa3 s ARG 72 CO 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 175.30 175.58 1fa3 s ALA 73 N -0.62 1.51 -0.25 6.12 0.00 0.13 -0.57 121.76 128.08 1fa3 s ALA 73 Ca 0.36 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1fa3 s ALA 73 Cb -0.21 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1fa3 s ALA 73 CO 0.23 0.36 -0.07 0.34 0.00 0.00 0.00 175.76 176.62 1fa3 s ASP 74 N -0.38 4.27 -0.01 0.00 2.15 0.22 -0.90 116.67 122.03 1fa3 s ASP 74 Ca 0.06 -0.91 -0.05 0.00 0.43 0.00 0.00 52.55 52.08 1fa3 s ASP 74 Cb -0.07 -1.65 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1fa3 s ASP 74 CO -0.00 -0.13 0.22 -0.63 -0.17 0.00 0.00 175.17 174.46 1fa3 s ILE 75 N 1.30 5.38 0.04 4.11 -1.09 0.25 -0.46 121.20 130.73 1fa3 s ILE 75 Ca -0.00 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.52 1fa3 s ILE 75 Cb -0.17 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1fa3 s ILE 75 CO -0.05 0.36 -0.25 -0.44 -1.23 0.00 0.00 174.94 173.33 1fa3 s SER 76 N -1.77 3.26 -0.14 3.58 0.01 0.47 -0.42 113.70 118.70 1fa3 s SER 76 Ca 0.26 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1fa3 s SER 76 Cb -0.13 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1fa3 s SER 76 CO 0.16 0.26 -0.11 -0.70 0.41 0.00 0.00 173.24 173.27 1fa3 s GLU 77 N -1.24 3.44 -0.19 12.44 2.12 0.37 -0.73 118.70 134.91 1fa3 s GLU 77 Ca 0.12 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.62 1fa3 s GLU 77 Cb -0.10 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1fa3 s GLU 77 CO 0.02 0.20 0.48 0.34 -0.54 0.00 0.00 175.26 175.76 1fa3 s ASP 78 N 0.41 6.55 0.20 -1.70 -1.08 -0.48 -0.72 116.67 119.86 1fa3 s ASP 78 Ca -0.09 0.65 -0.10 0.00 -0.52 0.00 0.00 52.55 52.49 1fa3 s ASP 78 Cb -0.15 -2.27 0.18 0.00 -1.46 0.00 0.00 42.92 39.21 1fa3 s ASP 78 CO 0.05 -0.12 1.84 0.22 0.52 0.00 0.00 175.17 177.68 1fa3 h TYR 79 N 7.30 0.79 -0.04 -5.34 3.20 -1.10 0.15 116.97 121.92 1fa3 h TYR 79 Ca -0.36 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.51 1fa3 h TYR 79 Cb 1.16 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1fa3 h TYR 79 CO 0.68 0.44 -0.06 -0.22 -1.64 0.00 0.00 178.16 177.36 1fa3 h LYS 80 N 0.82 0.12 -0.08 1.82 3.64 -1.94 -3.22 116.57 117.74 1fa3 h LYS 80 Ca 0.27 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1fa3 h LYS 80 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1fa3 h LYS 80 CO -0.11 0.62 -0.35 1.15 -2.27 0.00 0.00 179.45 178.49 1fa3 h THR 81 N -0.36 1.28 -6.14 1.00 2.02 -1.89 -3.46 112.91 105.35 1fa3 h THR 81 Ca 0.00 -1.33 -0.45 0.00 0.77 0.00 0.00 66.41 65.41 1fa3 h THR 81 Cb 0.61 1.62 0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1fa3 h THR 81 CO 0.02 0.39 -0.74 0.54 0.37 0.00 0.00 175.52 176.10 1fa3 n ARG 82 N -4.09 -6.23 -3.98 6.66 5.12 0.52 -4.99 116.66 109.66 1fa3 n ARG 82 Ca -0.01 0.67 -0.09 0.00 -1.93 0.00 0.00 57.85 56.49 1fa3 n ARG 82 Cb 0.42 -5.59 -0.10 0.00 -1.16 0.00 0.00 32.46 26.03 1fa3 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1fa3 s GLY 83 N -3.41 0.27 0.43 -0.13 0.00 -1.23 -5.00 107.32 98.25 1fa3 s GLY 83 Ca 0.58 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.62 1fa3 s GLY 83 CO 0.80 -0.87 0.16 0.50 0.00 0.00 0.00 173.10 173.69 1fa3 s ARG 84 N -2.82 2.19 -0.11 2.90 0.52 -1.26 -1.38 118.95 118.99 1fa3 s ARG 84 Ca -0.03 -1.95 -0.30 0.00 -0.52 0.00 0.00 55.73 52.93 1fa3 s ARG 84 Cb 0.00 -1.90 0.09 0.00 0.52 0.00 0.00 34.95 33.65 1fa3 s ARG 84 CO -0.06 -0.17 0.78 -1.59 0.02 0.00 0.00 175.30 174.28 1fa3 s LYS 85 N -3.91 0.90 0.22 3.54 -2.85 0.09 -4.98 119.74 112.76 1fa3 s LYS 85 Ca 0.37 0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.35 1fa3 s LYS 85 Cb 0.04 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 1fa3 s LYS 85 CO 0.20 -0.26 1.35 -1.17 0.10 0.00 0.00 175.35 175.57 1fa3 s LEU 86 N -0.97 4.41 -0.05 2.77 2.96 -1.26 -0.39 118.68 126.14 1fa3 s LEU 86 Ca -0.07 2.50 -0.07 0.00 -0.22 0.00 0.00 54.13 56.27 1fa3 s LEU 86 Cb -0.01 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1fa3 s LEU 86 CO 0.06 -0.58 -0.13 -0.11 -1.32 0.00 0.00 176.35 174.27 1fa3 n LEU 87 N 2.45 0.92 -4.36 -0.68 7.94 0.39 -4.84 117.00 118.81 1fa3 n LEU 87 Ca 0.06 0.15 -0.30 0.00 -1.11 0.00 0.00 56.01 54.81 1fa3 n LEU 87 Cb 0.42 -0.49 -0.14 0.00 0.53 0.00 0.00 43.42 43.74 1fa3 n LEU 87 CO 0.59 -0.46 -0.57 -0.13 -1.11 0.00 0.00 177.39 175.71 1fa3 s ARG 88 N -1.89 1.64 -0.03 1.96 3.00 -0.97 -5.00 118.95 117.66 1fa3 s ARG 88 Ca -0.11 -1.20 0.01 0.00 0.00 0.00 0.00 55.73 54.43 1fa3 s ARG 88 Cb 0.01 -1.94 0.02 0.00 0.00 0.00 0.00 34.95 33.05 1fa3 s ARG 88 CO 0.16 0.49 -0.02 0.12 0.00 0.00 0.00 175.30 176.05 1fa3 s PHE 89 N -0.90 0.44 0.04 -0.53 5.36 -1.26 -0.61 117.98 120.52 1fa3 s PHE 89 Ca 0.12 -0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 55.96 1fa3 s PHE 89 Cb -0.10 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1fa3 s PHE 89 CO 0.04 -0.13 0.14 -0.80 -1.46 0.00 0.00 175.22 173.00 1fa3 s ASN 90 N 0.86 0.12 0.00 6.13 -0.87 0.26 -5.01 114.94 116.43 1fa3 s ASN 90 Ca -0.09 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 1fa3 s ASN 90 Cb -0.13 0.26 0.00 0.00 -0.02 0.00 0.00 41.25 41.36 1fa3 s ASN 90 CO -0.01 -0.54 0.00 0.61 -2.57 0.00 0.00 177.10 174.59 1fa3 n GLY 91 N 0.68 0.60 3.75 0.66 0.00 -1.26 -0.25 105.19 109.37 1fa3 n GLY 91 Ca -0.19 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.69 2.47 0.06 1.61 0.04 -1.26 -5.04 135.00 132.18 1fa3 s PRO 92 Ca 0.00 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1fa3 s PRO 92 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1fa3 s PRO 92 CO 0.00 -1.53 -0.06 0.14 0.04 0.00 0.00 177.00 175.59 1fa3 s VAL 93 N -2.29 0.50 0.67 -0.36 -7.23 0.36 -4.99 120.40 107.05 1fa3 s VAL 93 Ca 0.69 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1fa3 s VAL 93 Cb -0.23 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.71 1fa3 s VAL 93 CO 0.44 -0.62 1.06 -2.16 -0.31 0.00 0.00 175.10 173.51 1fa3 s PRO 94 N -2.54 2.98 0.69 4.82 0.04 -1.26 -3.10 135.00 136.63 1fa3 s PRO 94 Ca -0.02 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 1fa3 s PRO 94 Cb -0.03 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1fa3 s PRO 94 CO -0.03 -1.07 1.11 -1.25 0.04 0.00 0.00 177.00 175.80 1fa3 s PRO 95 N -4.73 2.65 0.00 0.56 0.04 -1.26 -4.97 135.00 127.29 1fa3 s PRO 95 Ca 0.60 1.34 0.11 0.00 0.04 0.00 0.00 61.00 63.08 1fa3 s PRO 95 Cb -0.15 -1.94 0.64 0.00 0.04 0.00 0.00 34.50 33.10 1fa3 s PRO 95 CO 0.50 -1.36 1.08 -0.35 0.04 0.00 0.00 177.00 176.91