#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 0.98 -0.83 1.61 2.02 -1.26 -4.96 118.70 116.25 1fa3 s GLU 2 Ca 0.00 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 53.82 1fa3 s GLU 2 Cb 0.00 0.33 -0.00 0.00 0.10 0.00 0.00 34.13 34.56 1fa3 s GLU 2 CO 0.00 -0.32 0.66 0.91 0.02 0.00 0.00 175.26 176.53 1fa3 n TRP 3 N -0.12 -2.37 -4.37 1.61 5.03 -1.02 -5.02 117.44 111.18 1fa3 n TRP 3 Ca -0.10 0.90 -0.24 0.00 3.03 0.00 0.00 57.50 61.09 1fa3 n TRP 3 Cb 0.63 -3.33 -0.11 0.00 -1.03 0.00 0.00 31.31 27.46 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 -4.37 1.39 0.27 -0.99 2.56 -0.74 -4.91 118.70 111.90 1fa3 s GLU 4 Ca 0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 54.97 53.27 1fa3 s GLU 4 Cb -0.02 -1.56 -0.09 0.00 2.00 0.00 0.00 34.13 34.46 1fa3 s GLU 4 CO 0.84 0.32 0.99 0.42 -0.56 0.00 0.00 175.26 177.28 1fa3 s ILE 5 N -1.91 3.89 0.15 -3.70 -1.09 -1.26 -0.82 121.20 116.46 1fa3 s ILE 5 Ca 0.18 1.85 0.05 0.00 -2.23 0.00 0.00 60.65 60.50 1fa3 s ILE 5 Cb -0.07 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1fa3 s ILE 5 CO 0.08 0.40 0.12 0.27 -1.23 0.00 0.00 174.94 174.58 1fa3 s ILE 6 N -1.24 4.42 -0.05 2.92 -5.25 0.12 -4.91 121.20 117.20 1fa3 s ILE 6 Ca 0.44 -1.08 -0.30 0.00 -0.99 0.00 0.00 60.65 58.72 1fa3 s ILE 6 Cb -0.27 -3.24 -0.04 0.00 2.95 0.00 0.00 42.46 41.87 1fa3 s ILE 6 CO 0.34 -0.08 1.27 -1.81 -1.79 0.00 0.00 174.94 172.87 1fa3 s ASP 7 N -3.00 6.97 0.01 4.36 1.11 -1.26 -4.74 116.67 120.12 1fa3 s ASP 7 Ca 0.30 1.89 -0.30 0.00 0.18 0.00 0.00 52.55 54.63 1fa3 s ASP 7 Cb -0.10 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.26 1fa3 s ASP 7 CO 0.23 -0.65 1.68 0.27 1.18 0.00 0.00 175.17 177.87 1fa3 s ILE 8 N 2.46 3.31 0.00 0.77 -4.36 -1.26 -4.78 121.20 117.35 1fa3 s ILE 8 Ca 0.58 0.56 0.00 0.00 -0.26 0.00 0.00 60.65 61.54 1fa3 s ILE 8 Cb -0.26 -3.36 0.00 0.00 1.25 0.00 0.00 42.46 40.08 1fa3 s ILE 8 CO 0.22 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.99 1fa3 n GLY 9 N 4.10 2.12 0.32 6.27 0.00 -1.26 -4.99 105.19 111.75 1fa3 n GLY 9 Ca 0.17 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 0.90 -0.41 1.61 0.13 -1.99 0.70 132.00 132.94 1fa3 h PRO 10 Ca 0.00 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1fa3 h PRO 10 Cb 0.00 -0.20 -0.08 0.00 0.13 0.00 0.00 31.00 30.85 1fa3 h PRO 10 CO 0.00 0.59 -0.10 0.35 -0.23 0.00 0.00 178.00 178.61 1fa3 h PHE 11 N 0.92 -0.22 -0.04 1.56 3.04 -1.96 0.15 116.94 120.39 1fa3 h PHE 11 Ca 0.40 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.39 1fa3 h PHE 11 Cb 0.28 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 1fa3 h PHE 11 CO -0.04 -0.18 0.01 1.15 -2.02 0.00 0.00 178.31 177.24 1fa3 h THR 12 N -0.00 1.17 -0.20 4.41 2.02 -1.27 0.06 112.91 119.10 1fa3 h THR 12 Ca 0.20 -0.52 0.06 0.00 0.77 0.00 0.00 66.41 66.91 1fa3 h THR 12 Cb 0.30 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1fa3 h THR 12 CO -0.42 0.14 -0.24 1.56 0.37 0.00 0.00 175.52 176.93 1fa3 h GLN 13 N -0.15 -0.26 -0.42 6.66 4.20 -0.75 -0.13 115.11 124.27 1fa3 h GLN 13 Ca 0.01 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1fa3 h GLN 13 Cb 0.22 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1fa3 h GLN 13 CO -0.00 -0.17 0.09 -0.97 -0.67 0.00 0.00 178.83 177.11 1fa3 h ASN 14 N -0.27 0.02 -0.18 1.46 -0.73 -0.48 0.12 115.58 115.53 1fa3 h ASN 14 Ca 0.12 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1fa3 h ASN 14 Cb 0.46 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1fa3 h ASN 14 CO -0.36 0.05 0.12 -0.07 -0.37 0.00 0.00 177.43 176.79 1fa3 h LEU 15 N 0.22 0.20 -0.14 0.34 3.38 -0.43 0.19 115.31 119.08 1fa3 h LEU 15 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fa3 h LEU 15 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1fa3 h LEU 15 CO -0.26 0.14 0.09 1.23 0.09 0.00 0.00 178.44 179.73 1fa3 h GLY 16 N 0.24 0.20 0.49 0.83 0.00 -0.47 0.77 103.07 105.13 1fa3 h GLY 16 Ca 0.06 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1fa3 h GLY 16 CO -0.02 0.07 -0.02 1.70 0.00 0.00 0.00 176.54 178.27 1fa3 h LYS 17 N 0.18 0.06 -0.35 4.80 3.11 -0.58 0.10 116.57 123.90 1fa3 h LYS 17 Ca 0.05 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.94 1fa3 h LYS 17 Cb -0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.16 1fa3 h LYS 17 CO -0.01 0.04 0.07 0.35 -2.81 0.00 0.00 179.45 177.09 1fa3 h PHE 18 N 0.06 0.12 -0.20 1.91 3.57 -0.36 0.39 116.94 122.43 1fa3 h PHE 18 Ca 0.14 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1fa3 h PHE 18 Cb 0.20 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1fa3 h PHE 18 CO -0.24 0.02 -0.01 0.00 -2.23 0.00 0.00 178.31 175.85 1fa3 h ALA 19 N 1.26 0.17 -0.73 2.41 0.00 -0.12 0.11 119.26 122.36 1fa3 h ALA 19 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1fa3 h ALA 19 Cb 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1fa3 h ALA 19 CO -0.21 -0.44 0.47 0.28 0.00 0.00 0.00 179.25 179.34 1fa3 h VAL 20 N 0.05 1.20 0.15 0.00 2.07 -0.34 0.14 116.25 119.52 1fa3 h VAL 20 Ca 0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1fa3 h VAL 20 Cb 0.12 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1fa3 h VAL 20 CO -0.17 0.19 -0.07 -0.78 0.02 0.00 0.00 177.57 176.76 1fa3 h ASP 21 N 0.99 -0.17 -0.38 0.57 3.58 0.32 0.14 116.42 121.46 1fa3 h ASP 21 Ca 0.26 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.69 1fa3 h ASP 21 Cb -0.08 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1fa3 h ASP 21 CO -0.05 -0.07 0.20 -0.08 -2.88 0.00 0.00 179.24 176.36 1fa3 h GLU 22 N -0.27 0.39 0.38 0.28 4.57 -0.63 0.22 114.58 119.52 1fa3 h GLU 22 Ca -0.02 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1fa3 h GLU 22 Cb 0.21 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1fa3 h GLU 22 CO 0.03 0.26 -0.37 1.49 -1.18 0.00 0.00 179.01 179.24 1fa3 h GLU 23 N 0.40 -0.74 -0.92 1.92 4.22 -0.47 -2.17 114.58 116.82 1fa3 h GLU 23 Ca 0.16 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.73 1fa3 h GLU 23 Cb 0.06 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1fa3 h GLU 23 CO -0.11 -0.49 0.59 -0.91 -2.18 0.00 0.00 179.01 175.91 1fa3 h ASN 24 N -0.77 0.90 -0.95 1.04 4.21 -0.44 0.26 115.58 119.82 1fa3 h ASN 24 Ca -0.03 0.01 0.08 0.00 1.21 0.00 0.00 56.30 57.57 1fa3 h ASN 24 Cb 0.69 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.64 1fa3 h ASN 24 CO -0.06 0.56 0.62 0.50 -1.29 0.00 0.00 177.43 177.76 1fa3 h LYS 25 N 1.01 1.03 0.05 0.81 3.64 -0.09 -3.02 116.57 120.00 1fa3 h LYS 25 Ca 0.40 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.58 1fa3 h LYS 25 Cb 0.25 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1fa3 h LYS 25 CO -0.16 0.68 -0.70 0.82 -2.27 0.00 0.00 179.45 177.82 1fa3 h ILE 26 N 1.06 1.41 0.00 2.00 2.04 -0.53 -3.49 117.51 120.00 1fa3 h ILE 26 Ca 0.42 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1fa3 h ILE 26 Cb 0.26 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1fa3 h ILE 26 CO -0.18 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1fa3 n GLY 27 N 1.61 0.85 0.30 5.37 0.00 0.76 -4.99 105.19 109.09 1fa3 n GLY 27 Ca -0.18 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 2.88 0.72 -0.85 1.61 4.20 -1.90 0.71 115.11 122.47 1fa3 h GLN 28 Ca 0.00 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 58.10 1fa3 h GLN 28 Cb 0.00 -0.16 -0.31 0.00 0.30 0.00 0.00 27.48 27.31 1fa3 h GLN 28 CO 0.00 0.48 0.27 0.66 -0.67 0.00 0.00 178.83 179.57 1fa3 n TYR 29 N -4.78 2.83 -4.17 2.96 4.02 -1.26 -5.07 117.16 111.70 1fa3 n TYR 29 Ca 0.14 -2.53 0.00 0.00 -0.01 0.00 0.00 57.90 55.50 1fa3 n TYR 29 Cb 0.30 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 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 -0.91 2.96 3.06 2.72 0.00 0.24 -4.28 105.19 108.97 1fa3 n GLY 30 Ca 0.54 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 2.19 0.29 1.61 0.52 -1.26 -4.35 118.95 117.94 1fa3 s ARG 31 Ca 0.00 -2.34 -0.28 0.00 -0.52 0.00 0.00 55.73 52.59 1fa3 s ARG 31 Cb 0.00 -3.55 -0.09 0.00 0.52 0.00 0.00 34.95 31.83 1fa3 s ARG 31 CO 0.00 -1.11 0.97 -0.51 0.02 0.00 0.00 175.30 174.67 1fa3 s LEU 32 N 0.23 4.48 -0.42 2.53 1.43 -1.26 -5.04 118.68 120.64 1fa3 s LEU 32 Ca 0.14 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1fa3 s LEU 32 Cb -0.22 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.24 1fa3 s LEU 32 CO -0.03 -0.01 0.28 0.28 0.23 0.00 0.00 176.35 177.10 1fa3 s THR 33 N -1.39 4.66 0.26 5.49 -1.32 -1.26 -4.97 115.64 117.12 1fa3 s THR 33 Ca 0.46 -1.10 -0.31 0.00 -1.21 0.00 0.00 61.69 59.54 1fa3 s THR 33 Cb -0.23 -3.74 -0.12 0.00 -1.51 0.00 0.00 72.50 66.90 1fa3 s THR 33 CO 0.29 -0.43 1.61 0.33 -2.21 0.00 0.00 174.62 174.21 1fa3 n PHE 34 N 5.03 2.74 -0.05 9.09 -0.00 -1.26 -0.30 117.46 132.72 1fa3 n PHE 34 Ca -0.11 0.22 -0.05 0.00 -0.00 0.00 0.00 57.45 57.51 1fa3 n PHE 34 Cb 0.44 -2.60 -0.02 0.00 -0.00 0.00 0.00 39.48 37.31 1fa3 n PHE 34 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1fa3 n ASN 35 N 2.61 1.02 -3.32 -2.13 4.13 -0.09 -4.85 115.26 112.63 1fa3 n ASN 35 Ca 0.11 0.17 -0.04 0.00 1.68 0.00 0.00 54.58 56.51 1fa3 n ASN 35 Cb 0.35 -0.62 0.02 0.00 -1.54 0.00 0.00 39.78 38.00 1fa3 n ASN 35 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1fa3 s LYS 36 N -2.00 1.39 -0.05 3.52 -2.85 -1.05 -5.03 119.74 113.67 1fa3 s LYS 36 Ca -0.15 -0.90 0.04 0.00 -1.00 0.00 0.00 55.97 53.96 1fa3 s LYS 36 Cb 0.02 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1fa3 s LYS 36 CO 0.22 -0.65 -0.15 0.08 0.10 0.00 0.00 175.35 174.95 1fa3 s VAL 37 N -2.17 1.32 0.19 1.79 1.01 -1.26 -0.41 120.40 120.87 1fa3 s VAL 37 Ca 0.21 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1fa3 s VAL 37 Cb -0.03 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1fa3 s VAL 37 CO 0.06 0.39 0.28 0.27 0.00 0.00 0.00 175.10 176.09 1fa3 s ILE 38 N 0.18 0.04 0.64 2.22 -0.00 -0.55 -4.89 121.20 118.84 1fa3 s ILE 38 Ca -0.06 -1.55 -0.17 0.00 -0.00 0.00 0.00 60.65 58.86 1fa3 s ILE 38 Cb -0.12 -2.06 -0.04 0.00 -0.00 0.00 0.00 42.46 40.23 1fa3 s ILE 38 CO 0.02 -0.19 0.82 -2.11 -0.00 0.00 0.00 174.94 173.49 1fa3 n ARG 39 N -0.25 0.66 -2.64 0.37 1.85 -1.26 -3.65 116.66 111.74 1fa3 n ARG 39 Ca -0.04 0.27 -0.38 0.00 -1.00 0.00 0.00 57.85 56.69 1fa3 n ARG 39 Cb 0.63 -2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 1fa3 n ARG 39 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1fa3 s PRO 40 N -2.75 4.55 -0.29 2.89 0.04 -1.26 -4.82 135.00 133.37 1fa3 s PRO 40 Ca 0.73 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 1fa3 s PRO 40 Cb -0.40 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.30 1fa3 s PRO 40 CO 0.50 0.21 0.09 0.00 0.04 0.00 0.00 177.00 177.84 1fa3 s MET 42 N 1.74 2.33 0.05 0.00 0.00 0.14 -0.70 119.30 122.85 1fa3 s MET 42 Ca 0.08 -0.86 0.09 0.00 0.00 0.00 0.00 55.69 54.99 1fa3 s MET 42 Cb -0.17 -2.16 -0.03 0.00 0.00 0.00 0.00 34.83 32.47 1fa3 s MET 42 CO -0.24 0.53 -0.25 0.21 0.00 0.00 0.00 175.02 175.27 1fa3 s LYS 43 N -0.53 1.66 -0.00 4.11 2.20 -0.00 -0.66 119.74 126.52 1fa3 s LYS 43 Ca 0.07 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 54.52 1fa3 s LYS 43 Cb -0.11 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 34.39 1fa3 s LYS 43 CO 0.00 0.47 0.20 0.21 -0.36 0.00 0.00 175.35 175.87 1fa3 s LYS 44 N -1.23 0.54 0.17 4.03 2.36 -0.38 -1.80 119.74 123.44 1fa3 s LYS 44 Ca 0.10 -0.32 -0.29 0.00 -2.55 0.00 0.00 55.97 52.91 1fa3 s LYS 44 Cb -0.10 0.23 -0.07 0.00 -1.05 0.00 0.00 37.83 36.84 1fa3 s LYS 44 CO 0.02 -0.14 0.92 0.99 1.55 0.00 0.00 175.35 178.70 1fa3 s THR 45 N -1.34 4.30 -0.26 3.43 2.01 -1.26 -0.40 115.64 122.11 1fa3 s THR 45 Ca -0.14 2.02 -0.09 0.00 0.31 0.00 0.00 61.69 63.79 1fa3 s THR 45 Cb -0.07 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1fa3 s THR 45 CO 0.02 0.42 0.14 -0.63 -0.69 0.00 0.00 174.62 173.89 1fa3 s ILE 46 N -0.66 4.91 0.16 1.82 1.09 0.46 -4.86 121.20 124.11 1fa3 s ILE 46 Ca 0.43 0.03 -0.08 0.00 -1.10 0.00 0.00 60.65 59.92 1fa3 s ILE 46 Cb -0.24 -3.31 -0.01 0.00 -1.06 0.00 0.00 42.46 37.83 1fa3 s ILE 46 CO 0.30 0.30 0.27 -0.72 -0.10 0.00 0.00 174.94 174.99 1fa3 s TYR 47 N 1.60 0.44 0.00 3.97 1.13 -1.26 -0.47 117.35 122.76 1fa3 s TYR 47 Ca 0.07 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 1fa3 s TYR 47 Cb -0.15 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1fa3 s TYR 47 CO 0.07 -0.70 0.00 -1.91 -2.51 0.00 0.00 175.55 170.50 1fa3 n GLU 48 N -0.21 3.81 0.04 -3.49 4.07 -1.16 -4.93 120.64 118.78 1fa3 n GLU 48 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1fa3 n GLU 48 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.01 1fa3 n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1fa3 n ASN 49 N 0.00 -0.72 -4.63 4.31 5.15 -1.26 -4.62 115.26 113.50 1fa3 n ASN 49 Ca 0.00 0.22 -0.41 0.00 -0.60 0.00 0.00 54.58 53.79 1fa3 n ASN 49 Cb 0.00 0.92 0.02 0.00 -0.53 0.00 0.00 39.78 40.19 1fa3 n ASN 49 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1fa3 n GLU 50 N -2.57 1.40 0.00 1.20 2.13 -1.26 -3.06 120.64 118.49 1fa3 n GLU 50 Ca 0.00 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1fa3 n GLU 50 Cb 0.00 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 1.12 2.09 3.26 8.31 0.00 -1.26 -4.71 105.19 114.01 1fa3 n GLY 51 Ca 0.09 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1fa3 n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fa3 s PHE 52 N 0.00 -0.20 0.09 1.61 0.40 -1.17 -5.13 117.98 113.57 1fa3 s PHE 52 Ca 0.00 0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 56.30 1fa3 s PHE 52 Cb 0.00 0.12 -0.08 0.00 0.51 0.00 0.00 43.02 43.57 1fa3 s PHE 52 CO 0.00 -0.43 1.57 -0.98 0.70 0.00 0.00 175.22 176.09 1fa3 s ARG 53 N -1.53 4.22 -0.27 0.44 1.04 -1.25 -4.04 118.95 117.57 1fa3 s ARG 53 Ca -0.12 2.26 -0.25 0.00 -1.04 0.00 0.00 55.73 56.58 1fa3 s ARG 53 Cb -0.04 -3.46 0.10 0.00 -2.04 0.00 0.00 34.95 29.50 1fa3 s ARG 53 CO 0.03 -0.66 0.89 -2.00 -0.04 0.00 0.00 175.30 173.53 1fa3 s GLU 54 N 2.13 0.66 0.13 3.89 2.12 -1.26 -5.02 118.70 121.35 1fa3 s GLU 54 Ca 0.71 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 1fa3 s GLU 54 Cb -0.39 0.32 -0.07 0.00 0.26 0.00 0.00 34.13 34.25 1fa3 s GLU 54 CO 0.31 -0.08 1.15 0.42 -0.54 0.00 0.00 175.26 176.52 1fa3 s ILE 55 N 0.28 3.90 -0.00 -3.70 1.01 -1.26 -2.97 121.20 118.46 1fa3 s ILE 55 Ca 0.02 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1fa3 s ILE 55 Cb -0.05 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1fa3 s ILE 55 CO -0.03 0.20 0.01 1.17 0.00 0.00 0.00 174.94 176.29 1fa3 n LYS 56 N 3.01 0.91 -1.20 2.79 4.81 -0.51 -4.94 118.16 123.03 1fa3 n LYS 56 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1fa3 n LYS 56 Cb 0.46 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.50 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 2.59 1.33 3.33 3.14 0.00 0.39 -0.17 105.19 115.79 1fa3 n GLY 57 Ca -0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.92 0.24 0.06 1.61 2.02 0.48 -0.41 117.35 116.44 1fa3 s TYR 58 Ca 0.00 -0.61 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 1fa3 s TYR 58 Cb 0.00 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.55 1fa3 s TYR 58 CO 0.00 -0.70 -0.14 -1.83 -1.57 0.00 0.00 175.55 171.31 1fa3 s GLU 59 N -3.92 0.83 -0.13 -0.62 -1.05 0.47 -0.55 118.70 113.72 1fa3 s GLU 59 Ca 0.13 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 54.04 1fa3 s GLU 59 Cb 0.03 -0.82 0.04 0.00 -0.44 0.00 0.00 34.13 32.94 1fa3 s GLU 59 CO -0.04 0.19 0.01 0.71 0.95 0.00 0.00 175.26 177.08 1fa3 s TYR 60 N -1.16 0.93 -0.16 4.83 1.51 0.32 -1.25 117.35 122.38 1fa3 s TYR 60 Ca -0.01 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.46 1fa3 s TYR 60 Cb -0.09 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1fa3 s TYR 60 CO 0.02 -0.47 -0.01 -1.14 -1.11 0.00 0.00 175.55 172.83 1fa3 s GLN 61 N 1.89 3.75 0.01 -0.62 0.74 0.17 -0.58 119.66 125.01 1fa3 s GLN 61 Ca 0.02 -0.47 -0.14 0.00 0.05 0.00 0.00 55.36 54.82 1fa3 s GLN 61 Cb -0.14 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 30.99 1fa3 s GLN 61 CO -0.07 0.24 0.29 -0.48 -0.55 0.00 0.00 175.29 174.73 1fa3 s LEU 62 N 0.38 0.94 -0.42 3.68 0.05 -0.10 -0.68 118.68 122.53 1fa3 s LEU 62 Ca -0.02 -0.07 -0.22 0.00 0.05 0.00 0.00 54.13 53.86 1fa3 s LEU 62 Cb -0.14 1.25 0.02 0.00 -2.05 0.00 0.00 46.19 45.27 1fa3 s LEU 62 CO 0.02 -0.52 0.75 -0.47 -0.55 0.00 0.00 176.35 175.58 1fa3 s TYR 63 N -1.91 3.04 -0.21 3.48 5.04 -1.19 -1.07 117.35 124.54 1fa3 s TYR 63 Ca -0.10 0.22 -0.17 0.00 -2.44 0.00 0.00 57.07 54.59 1fa3 s TYR 63 Cb -0.03 -3.51 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 1fa3 s TYR 63 CO 0.01 -0.88 0.45 0.08 -1.34 0.00 0.00 175.55 173.86 1fa3 s VAL 64 N 3.12 5.16 -0.32 3.14 1.01 0.51 -1.49 120.40 131.54 1fa3 s VAL 64 Ca 0.28 0.80 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 1fa3 s VAL 64 Cb -0.13 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1fa3 s VAL 64 CO 0.20 0.21 0.89 -0.47 0.00 0.00 0.00 175.10 175.93 1fa3 s TYR 65 N 1.54 3.17 -0.03 5.22 6.14 0.45 -1.11 117.35 132.73 1fa3 s TYR 65 Ca 0.21 0.92 0.01 0.00 0.64 0.00 0.00 57.07 58.85 1fa3 s TYR 65 Cb -0.15 -3.41 0.02 0.00 0.42 0.00 0.00 41.96 38.83 1fa3 s TYR 65 CO 0.09 -0.66 -0.03 0.00 0.64 0.00 0.00 175.55 175.58 1fa3 s ALA 66 N 3.23 0.51 -1.38 3.97 0.00 -0.08 -0.91 121.76 127.10 1fa3 s ALA 66 Ca 0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1fa3 s ALA 66 Cb -0.13 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.72 1fa3 s ALA 66 CO 0.14 0.01 0.48 0.45 0.00 0.00 0.00 175.76 176.84 1fa3 n SER 67 N 3.77 -4.69 -4.16 0.00 2.88 0.59 -0.12 113.62 111.89 1fa3 n SER 67 Ca -0.23 -0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 56.69 1fa3 n SER 67 Cb 0.53 -3.85 -0.03 0.00 -0.75 0.00 0.00 64.21 60.11 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 -2.32 -2.47 -4.08 -3.46 2.03 -1.26 -4.98 116.55 100.01 1fa3 n ASP 68 Ca -0.07 -1.02 -0.10 0.00 0.52 0.00 0.00 54.79 54.12 1fa3 n ASP 68 Cb 0.58 -2.80 -0.11 0.00 -0.72 0.00 0.00 41.12 38.08 1fa3 n ASP 68 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1fa3 s LYS 69 N -6.86 0.57 -0.28 -0.67 2.47 0.83 -4.93 119.74 110.87 1fa3 s LYS 69 Ca 0.54 -0.99 -0.28 0.00 -1.56 0.00 0.00 55.97 53.68 1fa3 s LYS 69 Cb -0.29 -0.04 0.01 0.00 -1.46 0.00 0.00 37.83 36.04 1fa3 s LYS 69 CO 0.92 -0.03 0.99 -1.17 0.16 0.00 0.00 175.35 176.21 1fa3 s LEU 70 N -2.27 4.03 -0.19 5.43 1.98 -1.23 -0.91 118.68 125.52 1fa3 s LEU 70 Ca -0.01 1.09 -0.01 0.00 -2.89 0.00 0.00 54.13 52.30 1fa3 s LEU 70 Cb -0.01 -3.42 0.05 0.00 0.66 0.00 0.00 46.19 43.47 1fa3 s LEU 70 CO -0.04 -0.72 -0.02 -0.36 -1.89 0.00 0.00 176.35 173.31 1fa3 s PHE 71 N 3.29 1.64 -0.16 5.38 0.40 -0.26 -2.20 117.98 126.06 1fa3 s PHE 71 Ca 0.41 -1.15 -0.13 0.00 -0.60 0.00 0.00 56.93 55.47 1fa3 s PHE 71 Cb -0.14 -1.28 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 1fa3 s PHE 71 CO 0.11 -0.64 0.25 0.50 0.70 0.00 0.00 175.22 176.14 1fa3 s ARG 72 N 1.65 4.18 0.01 0.44 6.06 0.03 -0.36 118.95 130.96 1fa3 s ARG 72 Ca -0.01 0.02 0.04 0.00 -2.50 0.00 0.00 55.73 53.28 1fa3 s ARG 72 Cb -0.17 -3.40 -0.01 0.00 0.06 0.00 0.00 34.95 31.43 1fa3 s ARG 72 CO -0.07 0.30 -0.12 0.00 -2.50 0.00 0.00 175.30 172.91 1fa3 s ALA 73 N 0.29 0.98 -0.21 6.12 0.00 -0.23 -0.29 121.76 128.42 1fa3 s ALA 73 Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 1fa3 s ALA 73 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1fa3 s ALA 73 CO 0.03 0.21 -0.06 0.34 0.00 0.00 0.00 175.76 176.27 1fa3 s ASP 74 N -0.66 4.16 -0.10 0.00 -1.08 0.07 -0.92 116.67 118.13 1fa3 s ASP 74 Ca 0.02 -0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 51.60 1fa3 s ASP 74 Cb -0.06 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.66 1fa3 s ASP 74 CO 0.00 -0.01 0.07 -0.63 0.52 0.00 0.00 175.17 175.12 1fa3 s ILE 75 N 1.38 4.86 0.06 4.11 1.09 0.25 -0.08 121.20 132.88 1fa3 s ILE 75 Ca 0.05 -0.04 0.05 0.00 -1.10 0.00 0.00 60.65 59.61 1fa3 s ILE 75 Cb -0.14 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1fa3 s ILE 75 CO -0.04 0.61 -0.07 -0.94 -0.10 0.00 0.00 174.94 174.40 1fa3 s SER 76 N -0.96 4.60 -0.05 3.58 1.04 0.56 -0.52 113.70 121.95 1fa3 s SER 76 Ca 0.14 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.36 1fa3 s SER 76 Cb -0.12 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1fa3 s SER 76 CO 0.03 0.22 -0.16 -0.70 0.98 0.00 0.00 173.24 173.61 1fa3 s GLU 77 N -1.91 1.74 -0.30 4.02 2.12 0.28 -0.68 118.70 123.96 1fa3 s GLU 77 Ca 0.20 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.90 1fa3 s GLU 77 Cb -0.11 -1.49 0.01 0.00 0.26 0.00 0.00 34.13 32.79 1fa3 s GLU 77 CO 0.12 0.20 0.10 0.34 -0.54 0.00 0.00 175.26 175.48 1fa3 s ASP 78 N 0.16 5.26 0.55 -1.70 -1.08 0.39 -0.39 116.67 119.86 1fa3 s ASP 78 Ca -0.06 -0.71 0.22 0.00 -0.52 0.00 0.00 52.55 51.48 1fa3 s ASP 78 Cb -0.12 -1.91 1.50 0.00 -1.46 0.00 0.00 42.92 40.92 1fa3 s ASP 78 CO 0.03 -0.21 2.19 0.22 0.52 0.00 0.00 175.17 177.91 1fa3 h TYR 79 N 8.27 0.00 -0.06 -5.34 3.20 -0.85 0.16 116.97 122.34 1fa3 h TYR 79 Ca -0.31 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.58 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 0.61 0.01 0.11 -0.22 -1.64 0.00 0.00 178.16 177.04 1fa3 h LYS 80 N 0.00 0.00 0.00 1.82 3.64 -1.93 -2.92 116.57 117.18 1fa3 h LYS 80 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fa3 h LYS 80 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1fa3 h LYS 80 CO 0.00 0.00 0.00 2.41 -2.27 0.00 0.00 179.45 179.59 1fa3 n THR 81 N -3.49 0.00 -4.07 1.00 -1.04 -1.02 -5.00 114.28 100.67 1fa3 n THR 81 Ca -0.01 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1fa3 n THR 81 Cb 0.20 1.31 -0.00 0.00 -1.82 0.00 0.00 70.33 70.02 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 -4.30 -4.34 -2.82 0.63 0.52 -4.98 116.66 101.38 1fa3 n ARG 82 Ca 0.00 0.48 -0.35 0.00 -0.92 0.00 0.00 57.85 57.07 1fa3 n ARG 82 Cb 0.40 -5.27 -0.09 0.00 0.45 0.00 0.00 32.46 27.95 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 -3.35 1.87 0.34 5.14 0.00 -1.00 -4.91 107.32 105.42 1fa3 s GLY 83 Ca 0.68 -0.82 0.09 0.00 0.00 0.00 0.00 44.72 44.67 1fa3 s GLY 83 CO 0.88 -0.60 -0.01 0.50 0.00 0.00 0.00 173.10 173.87 1fa3 s ARG 84 N -1.00 2.03 -0.05 2.90 0.52 -1.26 -0.46 118.95 121.63 1fa3 s ARG 84 Ca 0.14 -1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 53.26 1fa3 s ARG 84 Cb -0.11 -1.88 0.08 0.00 0.52 0.00 0.00 34.95 33.55 1fa3 s ARG 84 CO 0.04 0.13 0.72 -1.59 0.02 0.00 0.00 175.30 174.62 1fa3 s LYS 85 N -3.70 1.01 -0.23 3.54 0.00 0.14 -4.98 119.74 115.52 1fa3 s LYS 85 Ca 0.34 0.20 -0.30 0.00 0.00 0.00 0.00 55.97 56.21 1fa3 s LYS 85 Cb 0.01 0.48 -0.07 0.00 0.00 0.00 0.00 37.83 38.24 1fa3 s LYS 85 CO 0.19 -0.33 2.19 -0.11 0.00 0.00 0.00 175.35 177.29 1fa3 n LEU 86 N 0.80 3.04 -0.03 2.77 7.94 -1.26 -0.33 117.00 129.93 1fa3 n LEU 86 Ca -0.18 0.32 -0.14 0.00 -1.11 0.00 0.00 56.01 54.90 1fa3 n LEU 86 Cb 0.58 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.95 1fa3 n LEU 86 CO 0.22 -0.63 0.55 0.25 -1.11 0.00 0.00 177.39 176.67 1fa3 h LEU 87 N 13.98 0.17 -7.00 -1.96 5.85 -0.79 -3.46 115.31 122.10 1fa3 h LEU 87 Ca -0.38 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 57.75 1fa3 h LEU 87 Cb 1.26 -0.05 -0.16 0.00 0.37 0.00 0.00 40.66 42.08 1fa3 h LEU 87 CO 0.97 0.73 0.30 -0.13 -0.34 0.00 0.00 178.44 179.97 1fa3 s ARG 88 N -3.86 1.03 -0.00 1.25 0.52 -1.01 -5.03 118.95 111.85 1fa3 s ARG 88 Ca -0.16 -0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 1fa3 s ARG 88 Cb 0.02 0.48 -0.02 0.00 0.52 0.00 0.00 34.95 35.95 1fa3 s ARG 88 CO 0.72 -0.40 -0.25 0.12 0.02 0.00 0.00 175.30 175.51 1fa3 s PHE 89 N -2.48 2.37 -0.04 -0.53 2.19 -1.26 -0.75 117.98 117.48 1fa3 s PHE 89 Ca -0.02 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.85 1fa3 s PHE 89 Cb -0.01 -1.48 0.02 0.00 -1.31 0.00 0.00 43.02 40.24 1fa3 s PHE 89 CO -0.03 0.04 -0.06 -0.80 1.83 0.00 0.00 175.22 176.20 1fa3 s ASN 90 N -0.84 1.06 0.00 6.13 0.02 0.61 -5.00 114.94 116.91 1fa3 s ASN 90 Ca 0.11 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.79 1fa3 s ASN 90 Cb -0.10 -0.44 0.00 0.00 0.02 0.00 0.00 41.25 40.73 1fa3 s ASN 90 CO 0.00 -0.01 0.00 0.61 0.02 0.00 0.00 177.10 177.72 1fa3 n GLY 91 N 3.78 -0.49 3.75 0.66 0.00 -1.26 -0.79 105.19 110.83 1fa3 n GLY 91 Ca -0.23 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.66 1.87 0.23 1.61 0.04 -1.26 -5.06 135.00 130.77 1fa3 s PRO 92 Ca 0.00 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.12 1fa3 s PRO 92 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1fa3 s PRO 92 CO 0.00 -1.88 -0.08 0.14 0.04 0.00 0.00 177.00 175.23 1fa3 s VAL 93 N -2.92 1.46 0.65 -0.36 -7.23 -0.94 -5.05 120.40 106.02 1fa3 s VAL 93 Ca 0.62 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 1fa3 s VAL 93 Cb -0.17 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1fa3 s VAL 93 CO 0.56 -0.46 1.05 -2.16 -0.31 0.00 0.00 175.10 173.78 1fa3 s PRO 94 N -3.74 3.19 0.60 4.82 0.04 -1.26 -3.52 135.00 135.13 1fa3 s PRO 94 Ca 0.25 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 1fa3 s PRO 94 Cb 0.03 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1fa3 s PRO 94 CO 0.08 -0.90 1.14 -1.25 0.04 0.00 0.00 177.00 176.11 1fa3 s PRO 95 N -4.88 3.02 0.00 0.56 0.04 -1.26 -4.66 135.00 127.82 1fa3 s PRO 95 Ca 0.58 1.58 0.14 0.00 0.04 0.00 0.00 61.00 63.34 1fa3 s PRO 95 Cb -0.13 -1.96 0.85 0.00 0.04 0.00 0.00 34.50 33.29 1fa3 s PRO 95 CO 0.51 -1.11 1.27 -0.35 0.04 0.00 0.00 177.00 177.36