#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk3 s ILE 2 N 0.00 1.07 0.25 0.00 -1.09 -1.26 -5.04 121.20 115.13 1fk3 s ILE 2 Ca 0.00 -0.46 0.11 0.00 -2.23 0.00 0.00 60.65 58.07 1fk3 s ILE 2 Cb 0.00 -0.97 -0.05 0.00 -1.58 0.00 0.00 42.46 39.87 1fk3 s ILE 2 CO 0.00 0.33 -0.14 -0.94 -1.23 0.00 0.00 174.94 172.97 1fk3 s SER 3 N 0.51 3.92 0.41 3.58 1.04 -1.26 -4.82 113.70 117.07 1fk3 s SER 3 Ca -0.11 -0.85 0.20 0.00 0.48 0.00 0.00 55.95 55.67 1fk3 s SER 3 Cb -0.14 -0.50 0.83 0.00 0.10 0.00 0.00 66.02 66.32 1fk3 s SER 3 CO 0.03 0.05 1.81 0.00 0.98 0.00 0.00 173.24 176.10 1fk3 h GLY 5 N 1.76 0.48 0.85 0.00 0.00 -1.98 0.80 103.07 104.97 1fk3 h GLY 5 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1fk3 h GLY 5 CO 0.04 0.43 -0.01 -1.61 0.00 0.00 0.00 176.54 175.40 1fk3 h GLN 6 N 0.36 0.46 -0.06 4.80 4.15 -1.83 -1.86 115.11 121.12 1fk3 h GLN 6 Ca 0.03 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1fk3 h GLN 6 Cb 0.90 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 1fk3 h GLN 6 CO 0.08 0.63 0.03 0.28 -1.93 0.00 0.00 178.83 177.92 1fk3 h VAL 7 N 0.23 1.07 -0.83 2.39 2.07 -1.04 -2.59 116.25 117.54 1fk3 h VAL 7 Ca 0.07 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1fk3 h VAL 7 Cb 0.43 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1fk3 h VAL 7 CO 0.01 0.06 0.49 0.00 0.02 0.00 0.00 177.57 178.15 1fk3 h ALA 8 N 0.96 1.18 -0.35 1.67 0.00 -0.78 -1.41 119.26 120.53 1fk3 h ALA 8 Ca 0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1fk3 h ALA 8 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fk3 h ALA 8 CO -0.00 0.15 -0.27 0.77 0.00 0.00 0.00 179.25 179.90 1fk3 h SER 9 N 0.84 0.74 -0.29 0.00 0.02 -1.23 -1.90 113.55 111.73 1fk3 h SER 9 Ca 0.39 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1fk3 h SER 9 Cb 0.31 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1fk3 h SER 9 CO -0.22 0.97 -0.06 0.00 -1.14 0.00 0.00 176.83 176.38 1fk3 h ALA 10 N 1.08 0.40 -0.01 3.77 0.00 -0.97 -3.26 119.26 120.27 1fk3 h ALA 10 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fk3 h ALA 10 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1fk3 h ALA 10 CO 0.06 0.21 -0.12 0.44 0.00 0.00 0.00 179.25 179.85 1fk3 n ILE 11 N -4.50 0.00 -0.24 0.00 -5.35 -0.60 -4.15 119.36 104.51 1fk3 n ILE 11 Ca -0.03 -0.14 0.05 0.00 -0.27 0.00 0.00 62.75 62.36 1fk3 n ILE 11 Cb 0.31 0.23 0.17 0.00 -1.74 0.00 0.00 39.64 38.61 1fk3 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk3 h ALA 12 N 3.91 0.86 0.00 -1.28 0.00 -1.39 0.20 119.26 121.57 1fk3 h ALA 12 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fk3 h ALA 12 Cb 0.43 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1fk3 h ALA 12 CO 0.00 -0.38 0.00 -1.35 0.00 0.00 0.00 179.25 177.52 1fk3 h PRO 13 N 0.19 0.00 0.00 0.00 0.11 -1.83 -2.63 132.00 127.84 1fk3 h PRO 13 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1fk3 h PRO 13 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1fk3 h PRO 13 CO -0.56 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.13 1fk3 h ILE 15 N 0.00 1.22 -0.80 0.00 1.08 -1.50 -1.67 117.51 115.83 1fk3 h ILE 15 Ca 0.00 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1fk3 h ILE 15 Cb 0.90 -0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 1fk3 h ILE 15 CO 0.00 0.23 0.52 0.77 -0.69 0.00 0.00 178.15 178.98 1fk3 h SER 16 N 1.26 0.87 -0.29 1.72 4.64 -1.80 -0.75 113.55 119.20 1fk3 h SER 16 Ca 0.36 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 1fk3 h SER 16 Cb -0.10 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1fk3 h SER 16 CO -0.09 0.61 -0.30 0.22 -0.87 0.00 0.00 176.83 176.39 1fk3 h TYR 17 N 1.02 0.94 0.00 4.77 3.20 -1.55 -1.48 116.97 123.87 1fk3 h TYR 17 Ca 0.31 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1fk3 h TYR 17 Cb -0.03 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1fk3 h TYR 17 CO -0.03 1.00 -0.04 0.00 -1.64 0.00 0.00 178.16 177.46 1fk3 h ALA 18 N 0.98 1.19 -0.01 1.82 0.00 -0.58 -0.58 119.26 122.08 1fk3 h ALA 18 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fk3 h ALA 18 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1fk3 h ALA 18 CO 0.07 0.05 -0.13 0.54 0.00 0.00 0.00 179.25 179.79 1fk3 n ARG 19 N -3.42 1.24 0.00 0.00 1.74 -0.35 0.63 116.66 116.50 1fk3 n ARG 19 Ca -0.02 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 1fk3 n ARG 19 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1fk3 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fk3 n GLY 20 N 1.26 0.67 3.73 -0.13 0.00 -0.23 -4.48 105.19 106.01 1fk3 n GLY 20 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1fk3 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fk3 s GLN 21 N -0.81 4.39 0.00 1.61 -0.21 -0.61 -4.93 119.66 119.09 1fk3 s GLN 21 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.14 1fk3 s GLN 21 Cb 0.00 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.59 1fk3 s GLN 21 CO 0.00 0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1fk3 n GLY 22 N 2.95 -0.26 0.13 3.09 0.00 -1.26 -3.67 105.19 106.17 1fk3 n GLY 22 Ca -0.04 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.36 1fk3 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fk3 n SER 23 N -1.19 0.98 -3.61 1.61 3.41 -1.26 -5.00 113.62 108.56 1fk3 n SER 23 Ca 0.00 -0.78 0.02 0.00 -0.26 0.00 0.00 58.87 57.85 1fk3 n SER 23 Cb 0.00 0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1fk3 n SER 23 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1fk3 s GLY 24 N -2.80 -0.42 0.33 5.00 0.00 -1.26 -5.14 107.32 103.03 1fk3 s GLY 24 Ca 0.15 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 1fk3 s GLY 24 CO 0.68 0.14 1.31 2.56 0.00 0.00 0.00 173.10 177.79 1fk3 s PRO 25 N -2.38 4.34 0.92 2.90 0.04 -1.26 -4.92 135.00 134.63 1fk3 s PRO 25 Ca 0.14 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1fk3 s PRO 25 Cb 0.05 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.67 1fk3 s PRO 25 CO -0.04 -0.20 1.10 -1.54 0.04 0.00 0.00 177.00 176.36 1fk3 s SER 26 N -0.49 3.34 0.26 6.66 1.04 -1.26 -4.83 113.70 118.40 1fk3 s SER 26 Ca 0.49 1.30 -0.05 0.00 0.48 0.00 0.00 55.95 58.17 1fk3 s SER 26 Cb -0.40 -1.97 0.31 0.00 0.10 0.00 0.00 66.02 64.07 1fk3 s SER 26 CO 0.53 -2.70 1.91 0.00 0.98 0.00 0.00 173.24 173.96 1fk3 h ALA 27 N -1.59 1.32 -0.73 5.32 0.00 -1.98 -1.45 119.26 120.14 1fk3 h ALA 27 Ca -0.51 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1fk3 h ALA 27 Cb 1.30 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1fk3 h ALA 27 CO 0.57 0.58 0.22 0.78 0.00 0.00 0.00 179.25 181.41 1fk3 h GLY 28 N 1.30 1.23 0.91 0.00 0.00 -1.95 0.94 103.07 105.49 1fk3 h GLY 28 Ca 0.39 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1fk3 h GLY 28 CO -0.12 0.69 -0.00 0.00 0.00 0.00 0.00 176.54 177.11 1fk3 h SER 31 N 0.22 0.66 -0.47 0.00 0.87 -0.74 -1.12 113.55 112.97 1fk3 h SER 31 Ca 0.05 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 1fk3 h SER 31 Cb 0.36 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1fk3 h SER 31 CO 0.02 0.71 -0.15 1.23 -0.53 0.00 0.00 176.83 178.11 1fk3 h GLY 32 N 0.57 1.04 0.94 5.77 0.00 -0.72 -1.79 103.07 108.88 1fk3 h GLY 32 Ca 0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1fk3 h GLY 32 CO -0.00 0.79 0.11 -2.08 0.00 0.00 0.00 176.54 175.36 1fk3 h VAL 33 N 0.85 1.22 -0.65 4.60 2.07 -1.11 -1.37 116.25 121.86 1fk3 h VAL 33 Ca 0.12 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 1fk3 h VAL 33 Cb 0.71 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1fk3 h VAL 33 CO 0.05 0.26 0.05 -0.09 0.02 0.00 0.00 177.57 177.87 1fk3 h ARG 34 N 0.50 1.11 -0.38 1.57 2.43 -1.15 -1.32 114.38 117.14 1fk3 h ARG 34 Ca 0.13 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1fk3 h ARG 34 Cb 0.28 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1fk3 h ARG 34 CO -0.00 1.04 0.22 1.03 -1.51 0.00 0.00 179.97 180.75 1fk3 h SER 35 N 1.02 0.36 -0.44 -3.80 0.87 -1.16 -1.60 113.55 108.80 1fk3 h SER 35 Ca 0.19 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1fk3 h SER 35 Cb 0.51 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1fk3 h SER 35 CO 0.02 0.26 0.01 0.25 -0.53 0.00 0.00 176.83 176.85 1fk3 h LEU 36 N 0.45 0.75 -1.10 2.23 5.85 -1.05 -1.98 115.31 120.46 1fk3 h LEU 36 Ca 0.15 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1fk3 h LEU 36 Cb 0.00 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1fk3 h LEU 36 CO -0.07 0.86 0.61 -1.13 -0.34 0.00 0.00 178.44 178.37 1fk3 h ASN 37 N 0.61 1.04 0.36 1.25 -1.24 -0.95 -2.03 115.58 114.62 1fk3 h ASN 37 Ca 0.13 -0.02 -0.14 0.00 0.71 0.00 0.00 56.30 56.98 1fk3 h ASN 37 Cb 0.47 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1fk3 h ASN 37 CO 0.02 0.74 -0.57 0.78 -1.29 0.00 0.00 177.43 177.11 1fk3 h ASN 38 N 1.22 0.25 0.69 1.15 2.35 -1.07 -3.21 115.58 116.96 1fk3 h ASN 38 Ca 0.35 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 1fk3 h ASN 38 Cb -0.09 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1fk3 h ASN 38 CO -0.09 0.76 -0.75 0.00 -1.65 0.00 0.00 177.43 175.70 1fk3 h ALA 39 N 1.24 0.75 -1.32 -0.83 0.00 -0.91 -3.40 119.26 114.80 1fk3 h ALA 39 Ca -0.00 -0.67 -0.64 0.00 0.00 0.00 0.00 54.91 53.60 1fk3 h ALA 39 Cb 1.05 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 1fk3 h ALA 39 CO 0.09 0.91 1.40 0.00 0.00 0.00 0.00 179.25 181.65 1fk3 s ALA 40 N -3.34 3.02 -0.84 0.00 0.00 -0.81 -4.81 121.76 114.99 1fk3 s ALA 40 Ca -0.01 -2.53 0.09 0.00 0.00 0.00 0.00 51.96 49.51 1fk3 s ALA 40 Cb 0.12 -4.40 0.20 0.00 0.00 0.00 0.00 23.12 19.04 1fk3 s ALA 40 CO 0.79 -3.37 1.10 2.89 0.00 0.00 0.00 175.76 177.16 1fk3 n ARG 41 N 8.05 2.22 -4.16 0.00 1.85 -1.26 -4.73 116.66 118.63 1fk3 n ARG 41 Ca 0.33 -1.71 -0.10 0.00 -1.00 0.00 0.00 57.85 55.36 1fk3 n ARG 41 Cb 0.49 -1.21 -0.10 0.00 -1.05 0.00 0.00 32.46 30.60 1fk3 n ARG 41 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1fk3 s THR 42 N -0.94 0.63 0.25 8.89 -4.23 -1.26 -5.03 115.64 113.95 1fk3 s THR 42 Ca 0.17 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1fk3 s THR 42 Cb 0.09 -1.63 0.22 0.00 1.34 0.00 0.00 72.50 72.52 1fk3 s THR 42 CO 0.12 -0.88 1.83 0.74 -0.54 0.00 0.00 174.62 175.89 1fk3 h THR 43 N 3.03 0.96 -0.24 3.99 2.02 -1.95 -1.36 112.91 119.36 1fk3 h THR 43 Ca -0.35 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1fk3 h THR 43 Cb 1.16 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1fk3 h THR 43 CO 0.64 0.16 0.09 0.00 0.37 0.00 0.00 175.52 176.78 1fk3 h ALA 44 N 1.44 0.27 -0.50 6.16 0.00 -1.95 -0.30 119.26 124.37 1fk3 h ALA 44 Ca 0.39 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1fk3 h ALA 44 Cb 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1fk3 h ALA 44 CO -0.22 -0.32 0.29 -0.44 0.00 0.00 0.00 179.25 178.56 1fk3 h ASP 45 N 0.20 0.47 -0.06 0.00 3.45 -1.85 -2.34 116.42 116.30 1fk3 h ASP 45 Ca 0.10 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 1fk3 h ASP 45 Cb 0.06 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1fk3 h ASP 45 CO -0.10 0.33 -0.25 0.03 -1.57 0.00 0.00 179.24 177.69 1fk3 h ARG 46 N 0.58 0.48 -0.13 3.56 3.08 -0.82 -0.12 114.38 121.02 1fk3 h ARG 46 Ca 0.21 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1fk3 h ARG 46 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1fk3 h ARG 46 CO -0.10 0.70 -0.57 0.00 -1.07 0.00 0.00 179.97 178.92 1fk3 h ARG 47 N 0.43 0.41 -0.20 0.04 3.08 -0.95 -0.19 114.38 116.99 1fk3 h ARG 47 Ca 0.06 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 1fk3 h ARG 47 Cb 0.66 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1fk3 h ARG 47 CO 0.05 0.87 -0.26 0.00 -1.07 0.00 0.00 179.97 179.55 1fk3 h ALA 48 N 1.08 0.30 -0.77 0.04 0.00 -1.31 -1.84 119.26 116.76 1fk3 h ALA 48 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1fk3 h ALA 48 Cb 1.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1fk3 h ALA 48 CO 0.10 0.29 0.39 0.00 0.00 0.00 0.00 179.25 180.04 1fk3 h ALA 49 N 0.63 0.99 -0.43 0.00 0.00 -0.95 -1.57 119.26 117.93 1fk3 h ALA 49 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1fk3 h ALA 49 Cb 0.83 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1fk3 h ALA 49 CO 0.06 0.53 0.20 0.00 0.00 0.00 0.00 179.25 180.04 1fk3 h ASN 51 N 0.41 0.93 -0.61 0.00 2.35 -1.03 0.96 115.58 118.59 1fk3 h ASN 51 Ca 0.19 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1fk3 h ASN 51 Cb 0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1fk3 h ASN 51 CO -0.15 0.93 0.04 0.00 -1.65 0.00 0.00 177.43 176.60 1fk3 h LEU 53 N 0.94 0.93 -0.77 0.00 3.38 -0.46 -0.70 115.31 118.63 1fk3 h LEU 53 Ca 0.18 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1fk3 h LEU 53 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1fk3 h LEU 53 CO 0.02 1.07 0.08 0.50 0.09 0.00 0.00 178.44 180.20 1fk3 h LYS 54 N 0.82 1.01 -0.51 1.13 3.64 -0.68 -0.55 116.57 121.44 1fk3 h LYS 54 Ca 0.13 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1fk3 h LYS 54 Cb 0.68 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1fk3 h LYS 54 CO 0.05 0.94 -0.01 -0.97 -2.27 0.00 0.00 179.45 177.20 1fk3 h ASN 55 N 0.95 0.88 -0.61 4.20 -0.73 -1.11 -2.57 115.58 116.58 1fk3 h ASN 55 Ca 0.19 -0.31 -0.05 0.00 1.87 0.00 0.00 56.30 58.00 1fk3 h ASN 55 Cb 0.44 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 1fk3 h ASN 55 CO 0.01 0.98 0.19 0.00 -0.37 0.00 0.00 177.43 178.24 1fk3 h ALA 56 N 0.93 0.81 -0.37 1.57 0.00 -0.80 -3.02 119.26 118.38 1fk3 h ALA 56 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1fk3 h ALA 56 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1fk3 h ALA 56 CO 0.03 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.58 1fk3 h ALA 57 N 1.06 0.99 0.00 0.00 0.00 -1.03 -3.05 119.26 117.23 1fk3 h ALA 57 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fk3 h ALA 57 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fk3 h ALA 57 CO -0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1fk3 h ALA 58 N 1.18 1.00 -0.28 0.00 0.00 -1.34 -3.23 119.26 116.60 1fk3 h ALA 58 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fk3 h ALA 58 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1fk3 h ALA 58 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1fk3 n GLY 59 N 0.25 4.03 3.53 0.00 0.00 -1.15 -4.92 105.19 106.92 1fk3 n GLY 59 Ca 0.02 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1fk3 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk3 s VAL 60 N -2.84 4.22 0.03 1.61 1.01 -1.22 -5.00 120.40 118.20 1fk3 s VAL 60 Ca 0.43 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1fk3 s VAL 60 Cb 0.35 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1fk3 s VAL 60 CO 0.09 -1.31 1.64 -0.55 0.00 0.00 0.00 175.10 174.97 1fk3 s SER 61 N 3.11 6.64 0.00 3.32 0.15 -1.26 -2.05 113.70 123.61 1fk3 s SER 61 Ca 0.32 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1fk3 s SER 61 Cb -0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1fk3 s SER 61 CO 0.18 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.35 1fk3 n GLY 62 N 4.02 0.39 3.57 9.45 0.00 -1.26 -4.88 105.19 116.47 1fk3 n GLY 62 Ca 0.16 -1.04 -0.51 0.00 0.00 0.00 0.00 46.02 44.64 1fk3 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fk3 n LEU 63 N 0.00 1.31 -4.19 0.99 7.94 -0.87 -4.52 117.00 117.66 1fk3 n LEU 63 Ca 0.00 1.14 -0.40 0.00 -1.11 0.00 0.00 56.01 55.64 1fk3 n LEU 63 Cb 0.12 -1.17 -0.09 0.00 0.53 0.00 0.00 43.42 42.81 1fk3 n LEU 63 CO 0.00 -1.34 0.00 0.21 -1.11 0.00 0.00 177.39 175.15 1fk3 s ASN 64 N 0.11 5.66 0.21 1.96 3.04 0.20 -4.95 114.94 121.18 1fk3 s ASN 64 Ca 0.78 -2.13 -0.09 0.00 0.04 0.00 0.00 52.86 51.46 1fk3 s ASN 64 Cb -0.93 -1.98 0.31 0.00 -1.54 0.00 0.00 41.25 37.11 1fk3 s ASN 64 CO 0.51 -0.62 1.75 0.00 -3.04 0.00 0.00 177.10 175.70 1fk3 h ALA 65 N 8.13 0.84 -0.48 1.71 0.00 -1.92 -1.62 119.26 125.92 1fk3 h ALA 65 Ca -0.15 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fk3 h ALA 65 Cb 1.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1fk3 h ALA 65 CO 0.81 -0.18 0.31 0.78 0.00 0.00 0.00 179.25 180.97 1fk3 h GLY 66 N 0.43 0.67 0.98 0.00 0.00 -1.95 -1.90 103.07 101.30 1fk3 h GLY 66 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1fk3 h GLY 66 CO -0.32 0.24 -0.12 3.43 0.00 0.00 0.00 176.54 179.77 1fk3 h ASN 67 N 0.64 -0.28 -0.50 0.19 4.21 -1.70 -2.70 115.58 115.44 1fk3 h ASN 67 Ca 0.18 -0.01 0.10 0.00 1.21 0.00 0.00 56.30 57.78 1fk3 h ASN 67 Cb -0.06 0.07 -0.08 0.00 -1.12 0.00 0.00 38.32 37.12 1fk3 h ASN 67 CO -0.04 -0.18 -0.02 0.00 -1.29 0.00 0.00 177.43 175.90 1fk3 h ALA 68 N 0.39 0.46 0.00 -0.83 0.00 -1.15 -1.98 119.26 116.15 1fk3 h ALA 68 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1fk3 h ALA 68 Cb 0.27 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fk3 h ALA 68 CO 0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 179.25 178.79 1fk3 h ALA 69 N 1.46 1.22 0.00 0.00 0.00 -1.32 -2.92 119.26 117.70 1fk3 h ALA 69 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1fk3 h ALA 69 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fk3 h ALA 69 CO -0.44 0.15 -0.37 -1.13 0.00 0.00 0.00 179.25 177.47 1fk3 n SER 70 N -3.55 0.38 -0.09 0.00 3.41 -0.76 -4.35 113.62 108.65 1fk3 n SER 70 Ca -0.01 -0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 1fk3 n SER 70 Cb 0.25 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1fk3 n SER 70 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fk3 h ILE 71 N 0.00 0.79 -0.50 -1.33 2.04 -1.35 -1.05 117.51 116.11 1fk3 h ILE 71 Ca 0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1fk3 h ILE 71 Cb 0.51 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1fk3 h ILE 71 CO 0.00 0.02 0.30 -0.65 0.00 0.00 0.00 178.15 177.83 1fk3 h PRO 72 N 0.13 0.58 -0.51 2.37 0.11 -1.81 -1.22 132.00 131.66 1fk3 h PRO 72 Ca 0.16 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1fk3 h PRO 72 Cb 0.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1fk3 h PRO 72 CO -0.24 0.39 0.09 0.66 -0.21 0.00 0.00 178.00 178.69 1fk3 h SER 73 N 0.60 0.79 0.73 -2.05 4.64 -1.63 -0.66 113.55 115.97 1fk3 h SER 73 Ca 0.20 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1fk3 h SER 73 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1fk3 h SER 73 CO -0.08 0.84 -0.21 0.11 -0.87 0.00 0.00 176.83 176.61 1fk3 h LYS 74 N 0.71 0.00 -0.10 4.77 1.57 -1.04 -2.35 116.57 120.13 1fk3 h LYS 74 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1fk3 h LYS 74 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1fk3 h LYS 74 CO 0.01 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1fk3 n GLY 76 N 1.23 0.76 3.58 0.00 0.00 -0.85 -4.96 105.19 104.96 1fk3 n GLY 76 Ca 0.17 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1fk3 n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fk3 s VAL 77 N -2.22 3.67 -0.18 1.61 -7.23 -0.31 -5.02 120.40 110.71 1fk3 s VAL 77 Ca 0.00 -0.55 -0.03 0.00 -1.81 0.00 0.00 61.98 59.59 1fk3 s VAL 77 Cb 0.00 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1fk3 s VAL 77 CO 0.00 0.55 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.83 1fk3 s SER 78 N -0.94 4.23 0.10 4.85 0.01 -1.26 -3.92 113.70 116.76 1fk3 s SER 78 Ca 0.13 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.14 1fk3 s SER 78 Cb -0.11 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1fk3 s SER 78 CO 0.03 0.06 -0.24 0.27 0.41 0.00 0.00 173.24 173.77 1fk3 s ILE 79 N 1.01 1.96 -1.74 1.44 -4.36 -1.26 -5.05 121.20 113.20 1fk3 s ILE 79 Ca -0.00 -1.58 0.20 0.00 -0.26 0.00 0.00 60.65 59.01 1fk3 s ILE 79 Cb -0.15 -1.74 0.46 0.00 1.25 0.00 0.00 42.46 42.28 1fk3 s ILE 79 CO -0.00 0.07 1.59 -0.81 0.24 0.00 0.00 174.94 176.02 1fk3 n PRO 80 N 1.16 0.47 -4.03 0.37 -0.04 -1.26 -4.83 135.00 126.84 1fk3 n PRO 80 Ca -0.18 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 1fk3 n PRO 80 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1fk3 n PRO 80 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1fk3 s TYR 81 N -2.26 0.50 -0.20 0.54 1.13 -1.26 -5.15 117.35 110.66 1fk3 s TYR 81 Ca 0.25 -0.95 -0.13 0.00 -1.41 0.00 0.00 57.07 54.83 1fk3 s TYR 81 Cb 0.13 -0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.66 1fk3 s TYR 81 CO 0.26 -0.50 0.28 0.99 -2.51 0.00 0.00 175.55 174.06 1fk3 s THR 82 N -3.95 5.30 -0.05 -3.49 2.01 -1.26 -5.03 115.64 109.16 1fk3 s THR 82 Ca 0.12 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 1fk3 s THR 82 Cb 0.06 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1fk3 s THR 82 CO -0.06 0.34 1.82 -0.63 -0.69 0.00 0.00 174.62 175.40 1fk3 s ILE 83 N 0.89 3.33 0.15 1.82 -1.09 -1.26 -4.72 121.20 120.32 1fk3 s ILE 83 Ca 0.14 0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 58.76 1fk3 s ILE 83 Cb -0.13 -3.28 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1fk3 s ILE 83 CO 0.05 -0.06 0.49 -0.55 -1.23 0.00 0.00 174.94 173.64 1fk3 s SER 84 N 4.30 -0.36 0.18 3.58 0.15 -1.26 -4.94 113.70 115.35 1fk3 s SER 84 Ca 0.81 -0.23 0.21 0.00 0.70 0.00 0.00 55.95 57.44 1fk3 s SER 84 Cb -0.36 0.54 0.87 0.00 -1.71 0.00 0.00 66.02 65.36 1fk3 s SER 84 CO 0.35 -0.93 1.64 0.35 1.20 0.00 0.00 173.24 175.84 1fk3 n THR 85 N -0.30 0.88 0.78 6.45 -2.24 -1.26 -2.29 114.28 116.30 1fk3 n THR 85 Ca -0.15 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1fk3 n THR 85 Cb 0.64 -1.11 0.24 0.00 -2.10 0.00 0.00 70.33 68.00 1fk3 n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1fk3 n SER 86 N -2.01 0.56 -4.75 3.42 7.64 -1.26 -4.91 113.62 112.31 1fk3 n SER 86 Ca 0.03 0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.50 1fk3 n SER 86 Cb 0.21 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 1fk3 n SER 86 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fk3 s THR 87 N -3.08 2.45 -0.48 0.44 2.01 -0.97 -4.97 115.64 111.04 1fk3 s THR 87 Ca 0.09 0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 1fk3 s THR 87 Cb 0.15 -3.25 0.11 0.00 0.01 0.00 0.00 72.50 69.52 1fk3 s THR 87 CO 0.69 0.06 0.38 -0.62 -0.69 0.00 0.00 174.62 174.45 1fk3 s ASP 88 N 0.37 5.91 0.30 3.53 3.68 -1.26 -4.94 116.67 124.26 1fk3 s ASP 88 Ca 0.60 -1.69 0.25 0.00 2.13 0.00 0.00 52.55 53.84 1fk3 s ASP 88 Cb -0.44 -2.10 1.06 0.00 -1.45 0.00 0.00 42.92 40.00 1fk3 s ASP 88 CO 0.46 -0.70 1.75 0.00 0.13 0.00 0.00 175.17 176.80 1fk3 n SER 90 N -2.34 0.05 -0.87 0.00 3.41 -1.26 -3.05 113.62 109.55 1fk3 n SER 90 Ca 0.02 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1fk3 n SER 90 Cb 0.22 -0.52 0.16 0.00 -0.26 0.00 0.00 64.21 63.81 1fk3 n SER 90 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1fk3 n ARG 91 N -1.54 2.16 -2.67 4.33 1.85 -0.96 -4.96 116.66 114.87 1fk3 n ARG 91 Ca 0.06 -1.98 -0.39 0.00 -1.00 0.00 0.00 57.85 54.54 1fk3 n ARG 91 Cb 0.32 -1.39 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1fk3 n ARG 91 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1fk3 s VAL 92 N -1.23 3.92 -1.25 8.89 1.01 -1.17 -5.12 120.40 125.45 1fk3 s VAL 92 Ca 0.29 1.81 0.10 0.00 0.00 0.00 0.00 61.98 64.19 1fk3 s VAL 92 Cb 0.17 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1fk3 s VAL 92 CO 0.24 0.35 0.82 0.59 0.00 0.00 0.00 175.10 177.09