#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk5 s ILE 2 N 0.00 1.38 0.24 0.00 -1.09 -1.26 -5.04 121.20 115.44 1fk5 s ILE 2 Ca 0.00 -0.66 0.11 0.00 -2.23 0.00 0.00 60.65 57.88 1fk5 s ILE 2 Cb 0.00 -1.22 -0.05 0.00 -1.58 0.00 0.00 42.46 39.62 1fk5 s ILE 2 CO 0.00 0.41 -0.19 -0.94 -1.23 0.00 0.00 174.94 172.99 1fk5 s SER 3 N 0.32 3.67 0.37 3.58 1.04 -1.26 -4.82 113.70 116.60 1fk5 s SER 3 Ca -0.10 -0.91 0.17 0.00 0.48 0.00 0.00 55.95 55.59 1fk5 s SER 3 Cb -0.14 -0.36 0.68 0.00 0.10 0.00 0.00 66.02 66.29 1fk5 s SER 3 CO 0.04 0.07 1.75 0.00 0.98 0.00 0.00 173.24 176.07 1fk5 h GLY 5 N 1.82 0.73 0.97 0.00 0.00 -1.98 0.30 103.07 104.91 1fk5 h GLY 5 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1fk5 h GLY 5 CO 0.05 0.62 0.25 -1.61 0.00 0.00 0.00 176.54 175.84 1fk5 h GLN 6 N 0.57 0.68 0.23 4.80 4.15 -1.88 -1.55 115.11 122.12 1fk5 h GLN 6 Ca 0.06 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1fk5 h GLN 6 Cb 0.83 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1fk5 h GLN 6 CO 0.07 0.56 -0.11 0.28 -1.93 0.00 0.00 178.83 177.70 1fk5 h VAL 7 N 0.63 0.78 -0.99 2.39 2.07 -1.13 -2.07 116.25 117.94 1fk5 h VAL 7 Ca 0.17 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1fk5 h VAL 7 Cb 0.09 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1fk5 h VAL 7 CO -0.02 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.20 1fk5 h ALA 8 N 0.46 1.41 -0.51 1.67 0.00 -0.88 -1.89 119.26 119.52 1fk5 h ALA 8 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1fk5 h ALA 8 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1fk5 h ALA 8 CO 0.05 0.34 -0.18 0.77 0.00 0.00 0.00 179.25 180.24 1fk5 h SER 9 N 1.08 1.03 -0.60 0.00 0.02 -1.12 -1.44 113.55 112.53 1fk5 h SER 9 Ca 0.45 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1fk5 h SER 9 Cb 0.28 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1fk5 h SER 9 CO -0.21 1.18 0.19 0.00 -1.14 0.00 0.00 176.83 176.86 1fk5 h ALA 10 N 0.89 0.78 -0.03 3.77 0.00 -0.68 -3.23 119.26 120.77 1fk5 h ALA 10 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fk5 h ALA 10 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fk5 h ALA 10 CO 0.06 0.44 -0.03 0.44 0.00 0.00 0.00 179.25 180.16 1fk5 n ILE 11 N -4.41 0.00 -0.25 0.00 -5.35 -0.78 -4.10 119.36 104.47 1fk5 n ILE 11 Ca 0.03 -0.46 0.04 0.00 -0.27 0.00 0.00 62.75 62.10 1fk5 n ILE 11 Cb 0.20 1.37 0.14 0.00 -1.74 0.00 0.00 39.64 39.62 1fk5 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk5 h ALA 12 N 4.61 0.73 0.00 -1.28 0.00 -1.28 0.17 119.26 122.21 1fk5 h ALA 12 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1fk5 h ALA 12 Cb 0.93 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1fk5 h ALA 12 CO 0.00 -0.42 0.00 -1.35 0.00 0.00 0.00 179.25 177.48 1fk5 h PRO 13 N 0.09 0.00 0.00 0.00 0.11 -1.83 -2.15 132.00 128.21 1fk5 h PRO 13 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1fk5 h PRO 13 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1fk5 h PRO 13 CO -0.67 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 176.73 1fk5 h ILE 15 N 0.00 1.24 -0.76 0.00 1.08 -1.41 -1.45 117.51 116.20 1fk5 h ILE 15 Ca 0.00 -0.50 0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1fk5 h ILE 15 Cb 0.80 -0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 1fk5 h ILE 15 CO 0.00 0.25 0.47 0.77 -0.69 0.00 0.00 178.15 178.95 1fk5 h SER 16 N 1.24 0.73 -0.64 1.72 4.64 -1.78 -0.99 113.55 118.47 1fk5 h SER 16 Ca 0.33 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 1fk5 h SER 16 Cb -0.08 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1fk5 h SER 16 CO -0.06 0.48 0.10 0.22 -0.87 0.00 0.00 176.83 176.69 1fk5 h TYR 17 N 0.87 1.14 0.00 4.77 3.20 -1.45 -0.66 116.97 124.84 1fk5 h TYR 17 Ca 0.33 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1fk5 h TYR 17 Cb 0.12 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1fk5 h TYR 17 CO -0.05 0.96 -0.03 0.00 -1.64 0.00 0.00 178.16 177.40 1fk5 h ALA 18 N 1.03 1.24 -0.01 1.82 0.00 -0.29 0.22 119.26 123.27 1fk5 h ALA 18 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fk5 h ALA 18 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1fk5 h ALA 18 CO 0.01 0.04 -0.23 0.54 0.00 0.00 0.00 179.25 179.61 1fk5 n ARG 19 N -3.48 0.66 0.00 0.00 1.74 -0.47 0.34 116.66 115.45 1fk5 n ARG 19 Ca -0.02 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1fk5 n ARG 19 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1fk5 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fk5 n GLY 20 N 1.35 0.86 3.71 -0.13 0.00 0.06 -4.39 105.19 106.65 1fk5 n GLY 20 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1fk5 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fk5 s GLN 21 N -0.85 4.27 0.00 1.61 -0.21 -0.30 -4.95 119.66 119.23 1fk5 s GLN 21 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.64 1fk5 s GLN 21 Cb 0.00 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1fk5 s GLN 21 CO 0.00 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 1fk5 n GLY 22 N 3.49 1.46 0.35 3.09 0.00 -1.26 -3.48 105.19 108.83 1fk5 n GLY 22 Ca -0.09 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.14 1fk5 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fk5 n SER 23 N -0.21 1.71 -3.67 1.61 3.41 -1.26 -5.00 113.62 110.22 1fk5 n SER 23 Ca 0.00 -1.36 -0.02 0.00 -0.26 0.00 0.00 58.87 57.23 1fk5 n SER 23 Cb 0.00 0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1fk5 n SER 23 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1fk5 s GLY 24 N -2.58 -0.33 0.36 5.00 0.00 -1.26 -5.14 107.32 103.38 1fk5 s GLY 24 Ca 0.15 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 45.14 1fk5 s GLY 24 CO 0.64 0.12 1.16 2.56 0.00 0.00 0.00 173.10 177.58 1fk5 s PRO 25 N -2.89 4.23 0.92 2.90 0.04 -1.26 -4.90 135.00 134.04 1fk5 s PRO 25 Ca 0.12 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1fk5 s PRO 25 Cb 0.01 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.86 1fk5 s PRO 25 CO -0.02 -0.17 1.11 -1.54 0.04 0.00 0.00 177.00 176.43 1fk5 s SER 26 N -1.03 3.35 0.23 6.66 1.04 -1.26 -4.81 113.70 117.88 1fk5 s SER 26 Ca 0.53 1.14 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 1fk5 s SER 26 Cb -0.31 -1.78 0.31 0.00 0.10 0.00 0.00 66.02 64.34 1fk5 s SER 26 CO 0.40 -2.67 1.82 0.00 0.98 0.00 0.00 173.24 173.77 1fk5 h ALA 27 N -1.58 1.07 -0.47 5.32 0.00 -1.98 -0.59 119.26 121.03 1fk5 h ALA 27 Ca -0.51 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1fk5 h ALA 27 Cb 1.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1fk5 h ALA 27 CO 0.59 0.14 0.05 0.78 0.00 0.00 0.00 179.25 180.81 1fk5 h GLY 28 N 0.81 0.80 0.78 0.00 0.00 -1.95 0.14 103.07 103.65 1fk5 h GLY 28 Ca 0.35 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1fk5 h GLY 28 CO -0.20 0.46 -0.01 0.00 0.00 0.00 0.00 176.54 176.79 1fk5 h SER 31 N 0.32 0.90 -0.40 0.00 0.87 -0.66 -0.65 113.55 113.94 1fk5 h SER 31 Ca 0.06 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1fk5 h SER 31 Cb 0.41 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1fk5 h SER 31 CO 0.02 0.66 -0.27 1.23 -0.53 0.00 0.00 176.83 177.94 1fk5 h GLY 32 N 1.06 0.97 0.97 5.77 0.00 -0.80 -0.93 103.07 110.12 1fk5 h GLY 32 Ca 0.29 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1fk5 h GLY 32 CO -0.06 0.84 0.22 -2.08 0.00 0.00 0.00 176.54 175.46 1fk5 h VAL 33 N 0.71 1.20 -0.44 4.60 2.07 -0.96 -1.04 116.25 122.40 1fk5 h VAL 33 Ca 0.08 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1fk5 h VAL 33 Cb 0.85 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1fk5 h VAL 33 CO 0.07 0.23 -0.23 -0.09 0.02 0.00 0.00 177.57 177.57 1fk5 h ARG 34 N 0.67 0.90 -0.44 1.57 2.43 -1.04 -1.48 114.38 116.98 1fk5 h ARG 34 Ca 0.17 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1fk5 h ARG 34 Cb 0.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1fk5 h ARG 34 CO -0.02 1.03 0.24 1.03 -1.51 0.00 0.00 179.97 180.75 1fk5 h SER 35 N 0.77 0.38 -0.57 -3.80 0.87 -1.00 -0.72 113.55 109.48 1fk5 h SER 35 Ca 0.10 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1fk5 h SER 35 Cb 0.79 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1fk5 h SER 35 CO 0.07 0.27 0.19 0.25 -0.53 0.00 0.00 176.83 177.07 1fk5 h LEU 36 N 0.49 0.83 -1.14 2.23 5.85 -1.01 -0.49 115.31 122.06 1fk5 h LEU 36 Ca 0.18 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1fk5 h LEU 36 Cb 0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1fk5 h LEU 36 CO -0.10 0.81 0.29 -1.13 -0.34 0.00 0.00 178.44 177.96 1fk5 h ASN 37 N 0.80 0.80 0.64 1.25 -1.24 -1.00 -1.79 115.58 115.05 1fk5 h ASN 37 Ca 0.19 -0.09 -0.15 0.00 0.71 0.00 0.00 56.30 56.96 1fk5 h ASN 37 Cb 0.27 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1fk5 h ASN 37 CO -0.01 0.69 -0.70 0.78 -1.29 0.00 0.00 177.43 176.91 1fk5 h ASN 38 N 0.88 0.06 1.47 1.15 2.35 -0.52 -3.20 115.58 117.77 1fk5 h ASN 38 Ca 0.22 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1fk5 h ASN 38 Cb 0.11 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1fk5 h ASN 38 CO -0.03 0.74 -0.42 0.00 -1.65 0.00 0.00 177.43 176.07 1fk5 h ALA 39 N 1.26 0.75 -1.72 -0.83 0.00 -0.44 -3.40 119.26 114.88 1fk5 h ALA 39 Ca -0.01 -0.38 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 1fk5 h ALA 39 Cb 1.23 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1fk5 h ALA 39 CO 0.09 0.52 0.96 0.00 0.00 0.00 0.00 179.25 180.83 1fk5 s ALA 40 N -3.08 3.19 -0.52 0.00 0.00 -0.73 -4.82 121.76 115.80 1fk5 s ALA 40 Ca 0.04 -2.56 0.05 0.00 0.00 0.00 0.00 51.96 49.48 1fk5 s ALA 40 Cb 0.08 -4.14 0.08 0.00 0.00 0.00 0.00 23.12 19.14 1fk5 s ALA 40 CO 0.72 -3.11 0.87 2.89 0.00 0.00 0.00 175.76 177.13 1fk5 n ARG 41 N 7.20 1.19 -4.17 0.00 1.85 -1.26 -4.79 116.66 116.68 1fk5 n ARG 41 Ca 0.23 -1.23 -0.11 0.00 -1.00 0.00 0.00 57.85 55.75 1fk5 n ARG 41 Cb 0.49 -1.11 -0.10 0.00 -1.05 0.00 0.00 32.46 30.70 1fk5 n ARG 41 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1fk5 s THR 42 N -0.68 0.35 0.22 8.89 -4.23 -1.26 -5.05 115.64 113.88 1fk5 s THR 42 Ca 0.08 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1fk5 s THR 42 Cb 0.05 -1.96 0.16 0.00 1.34 0.00 0.00 72.50 72.09 1fk5 s THR 42 CO 0.07 -0.58 1.83 0.74 -0.54 0.00 0.00 174.62 176.13 1fk5 h THR 43 N 2.86 1.01 -0.64 3.99 2.02 -1.95 -1.04 112.91 119.16 1fk5 h THR 43 Ca -0.35 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.57 1fk5 h THR 43 Cb 1.19 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1fk5 h THR 43 CO 0.62 0.14 0.41 0.00 0.37 0.00 0.00 175.52 177.07 1fk5 h ALA 44 N 1.35 0.82 -0.54 6.16 0.00 -1.94 0.83 119.26 125.94 1fk5 h ALA 44 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1fk5 h ALA 44 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1fk5 h ALA 44 CO -0.16 0.20 0.34 -0.44 0.00 0.00 0.00 179.25 179.19 1fk5 h ASP 45 N 0.83 0.63 0.07 0.00 3.45 -1.90 -0.37 116.42 119.13 1fk5 h ASP 45 Ca 0.24 -0.04 -0.14 0.00 0.43 0.00 0.00 57.03 57.53 1fk5 h ASP 45 Cb -0.05 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1fk5 h ASP 45 CO -0.07 0.48 -0.48 0.03 -1.57 0.00 0.00 179.24 177.63 1fk5 h ARG 46 N 0.73 0.48 -0.13 3.56 3.08 -0.55 0.36 114.38 121.91 1fk5 h ARG 46 Ca 0.20 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 1fk5 h ARG 46 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1fk5 h ARG 46 CO -0.04 0.86 -0.62 0.00 -1.07 0.00 0.00 179.97 179.10 1fk5 h ARG 47 N 0.38 0.45 -0.36 0.04 3.08 -0.57 -0.35 114.38 117.06 1fk5 h ARG 47 Ca 0.02 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1fk5 h ARG 47 Cb 0.98 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1fk5 h ARG 47 CO 0.09 0.93 0.08 0.00 -1.07 0.00 0.00 179.97 180.00 1fk5 h ALA 48 N 1.00 0.48 -0.73 0.04 0.00 -0.88 -1.96 119.26 117.21 1fk5 h ALA 48 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1fk5 h ALA 48 Cb 1.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1fk5 h ALA 48 CO 0.11 0.16 0.46 0.00 0.00 0.00 0.00 179.25 179.98 1fk5 h ALA 49 N 0.93 0.92 -0.24 0.00 0.00 -0.82 -1.39 119.26 118.67 1fk5 h ALA 49 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1fk5 h ALA 49 Cb 0.32 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1fk5 h ALA 49 CO 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.48 1fk5 h ASN 51 N -0.11 0.85 -0.78 0.00 2.35 -0.82 0.15 115.58 117.22 1fk5 h ASN 51 Ca 0.13 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1fk5 h ASN 51 Cb 0.31 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1fk5 h ASN 51 CO -0.31 0.77 0.32 0.00 -1.65 0.00 0.00 177.43 176.56 1fk5 h LEU 53 N 1.14 0.61 -0.66 0.00 3.38 -0.24 0.09 115.31 119.62 1fk5 h LEU 53 Ca 0.26 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1fk5 h LEU 53 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1fk5 h LEU 53 CO -0.02 1.09 0.09 0.50 0.09 0.00 0.00 178.44 180.19 1fk5 h LYS 54 N 0.38 1.11 -0.53 1.13 3.64 -0.50 0.10 116.57 121.90 1fk5 h LYS 54 Ca -0.01 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1fk5 h LYS 54 Cb 1.21 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1fk5 h LYS 54 CO 0.12 1.03 0.21 -0.97 -2.27 0.00 0.00 179.45 177.56 1fk5 h ASN 55 N 1.03 0.73 -0.80 4.20 -0.73 -1.02 -2.03 115.58 116.96 1fk5 h ASN 55 Ca 0.20 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1fk5 h ASN 55 Cb 0.47 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 1fk5 h ASN 55 CO 0.02 0.71 0.51 0.00 -0.37 0.00 0.00 177.43 178.29 1fk5 h ALA 56 N 1.06 1.02 0.00 1.57 0.00 -0.53 -2.70 119.26 119.67 1fk5 h ALA 56 Ca 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1fk5 h ALA 56 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1fk5 h ALA 56 CO -0.01 0.45 -0.37 0.00 0.00 0.00 0.00 179.25 179.32 1fk5 h ALA 57 N 1.28 1.21 0.00 0.00 0.00 -0.53 -2.97 119.26 118.26 1fk5 h ALA 57 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fk5 h ALA 57 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1fk5 h ALA 57 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1fk5 h ALA 58 N 1.63 1.00 -0.24 0.00 0.00 -1.04 -3.31 119.26 117.29 1fk5 h ALA 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fk5 h ALA 58 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1fk5 h ALA 58 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1fk5 n GLY 59 N 0.67 3.66 3.54 0.00 0.00 -1.12 -4.90 105.19 107.03 1fk5 n GLY 59 Ca 0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1fk5 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk5 s VAL 60 N -2.15 4.13 0.14 1.61 1.01 -1.23 -5.00 120.40 118.90 1fk5 s VAL 60 Ca 0.33 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 1fk5 s VAL 60 Cb 0.25 -4.69 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 1fk5 s VAL 60 CO 0.10 -1.37 1.39 -0.44 0.00 0.00 0.00 175.10 174.78 1fk5 s SER 61 N 3.15 6.81 -0.44 3.32 0.01 -1.26 -2.33 113.70 122.96 1fk5 s SER 61 Ca 0.34 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1fk5 s SER 61 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1fk5 s SER 61 CO 0.19 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1fk5 n GLY 62 N 3.27 0.36 3.55 3.44 0.00 -1.26 -4.90 105.19 109.65 1fk5 n GLY 62 Ca 0.11 -0.74 -0.52 0.00 0.00 0.00 0.00 46.02 44.87 1fk5 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fk5 n LEU 63 N -0.64 0.94 -4.26 0.99 7.94 -0.98 -4.47 117.00 116.52 1fk5 n LEU 63 Ca -0.05 1.14 -0.39 0.00 -1.11 0.00 0.00 56.01 55.59 1fk5 n LEU 63 Cb 0.42 -1.12 -0.11 0.00 0.53 0.00 0.00 43.42 43.14 1fk5 n LEU 63 CO 0.07 -1.54 -0.15 0.21 -1.11 0.00 0.00 177.39 174.86 1fk5 s ASN 64 N 0.01 5.52 0.18 1.96 3.04 0.15 -4.94 114.94 120.87 1fk5 s ASN 64 Ca 0.79 -1.43 -0.13 0.00 0.04 0.00 0.00 52.86 52.13 1fk5 s ASN 64 Cb -0.98 -1.94 0.09 0.00 -1.54 0.00 0.00 41.25 36.88 1fk5 s ASN 64 CO 0.52 -0.47 1.83 0.00 -3.04 0.00 0.00 177.10 175.94 1fk5 h ALA 65 N 8.33 0.77 -0.48 1.71 0.00 -1.93 -1.45 119.26 126.20 1fk5 h ALA 65 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1fk5 h ALA 65 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1fk5 h ALA 65 CO 0.71 0.24 0.31 0.78 0.00 0.00 0.00 179.25 181.29 1fk5 h GLY 66 N 0.82 0.69 0.99 0.00 0.00 -1.95 -1.40 103.07 102.22 1fk5 h GLY 66 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1fk5 h GLY 66 CO -0.04 0.26 -0.06 3.43 0.00 0.00 0.00 176.54 180.12 1fk5 h ASN 67 N 0.65 -0.14 -0.63 0.19 4.21 -1.83 -2.75 115.58 115.29 1fk5 h ASN 67 Ca 0.18 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.69 1fk5 h ASN 67 Cb -0.06 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.15 1fk5 h ASN 67 CO -0.04 -0.09 0.41 0.00 -1.29 0.00 0.00 177.43 176.43 1fk5 h ALA 68 N 0.69 0.80 0.00 -0.83 0.00 -1.01 -1.43 119.26 117.48 1fk5 h ALA 68 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1fk5 h ALA 68 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1fk5 h ALA 68 CO 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 1fk5 h ALA 69 N 1.23 1.06 -0.00 0.00 0.00 -1.20 -2.64 119.26 117.72 1fk5 h ALA 69 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1fk5 h ALA 69 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1fk5 h ALA 69 CO -0.06 0.04 -0.28 -1.13 0.00 0.00 0.00 179.25 177.83 1fk5 n SER 70 N -3.22 0.63 0.10 0.00 3.41 -0.55 -4.40 113.62 109.59 1fk5 n SER 70 Ca -0.01 -0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 57.99 1fk5 n SER 70 Cb 0.21 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1fk5 n SER 70 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fk5 h ILE 71 N 0.55 0.87 -0.31 -1.33 2.04 -1.37 -1.01 117.51 116.95 1fk5 h ILE 71 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1fk5 h ILE 71 Cb 0.47 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1fk5 h ILE 71 CO 0.00 0.00 -0.00 -0.65 0.00 0.00 0.00 178.15 177.50 1fk5 h PRO 72 N -0.17 0.09 -0.63 2.37 0.11 -1.81 -1.22 132.00 130.73 1fk5 h PRO 72 Ca -0.01 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1fk5 h PRO 72 Cb 0.14 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1fk5 h PRO 72 CO 0.02 0.06 0.12 0.66 -0.21 0.00 0.00 178.00 178.65 1fk5 h SER 73 N 0.09 0.96 0.85 -2.05 4.64 -1.66 -0.09 113.55 116.29 1fk5 h SER 73 Ca 0.15 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1fk5 h SER 73 Cb 0.20 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1fk5 h SER 73 CO -0.25 0.94 -0.11 0.11 -0.87 0.00 0.00 176.83 176.65 1fk5 h LYS 74 N 0.96 0.00 -0.02 4.77 1.57 -0.85 -2.08 116.57 120.91 1fk5 h LYS 74 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1fk5 h LYS 74 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1fk5 h LYS 74 CO 0.01 0.11 -0.06 0.00 -0.57 0.00 0.00 179.45 178.94 1fk5 n GLY 76 N 1.25 0.39 3.36 0.00 0.00 -0.66 -4.96 105.19 104.58 1fk5 n GLY 76 Ca 0.16 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1fk5 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk5 s VAL 77 N -2.26 3.16 -0.15 1.61 1.01 -0.14 -5.03 120.40 118.60 1fk5 s VAL 77 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1fk5 s VAL 77 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1fk5 s VAL 77 CO 0.00 0.50 -0.08 -0.94 0.00 0.00 0.00 175.10 174.58 1fk5 s SER 78 N 0.62 4.36 0.15 3.32 1.04 -1.26 -4.03 113.70 117.89 1fk5 s SER 78 Ca -0.06 -0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.20 1fk5 s SER 78 Cb -0.15 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 1fk5 s SER 78 CO 0.03 0.15 -0.20 0.27 0.98 0.00 0.00 173.24 174.46 1fk5 s ILE 79 N 0.49 1.86 -1.99 -1.02 -4.36 -1.26 -5.05 121.20 109.86 1fk5 s ILE 79 Ca -0.06 -1.81 0.31 0.00 -0.26 0.00 0.00 60.65 58.83 1fk5 s ILE 79 Cb -0.15 -1.79 0.84 0.00 1.25 0.00 0.00 42.46 42.61 1fk5 s ILE 79 CO 0.04 -0.20 2.17 -0.81 0.24 0.00 0.00 174.94 176.38 1fk5 n PRO 80 N 0.56 1.01 -4.08 0.37 -0.05 -1.26 -4.82 135.00 126.73 1fk5 n PRO 80 Ca -0.15 -0.09 -0.10 0.00 -0.05 0.00 0.00 63.50 63.11 1fk5 n PRO 80 Cb 0.56 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.42 1fk5 n PRO 80 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1fk5 s TYR 81 N -2.05 0.71 -0.14 0.54 1.13 -1.26 -5.14 117.35 111.14 1fk5 s TYR 81 Ca 0.45 -1.06 -0.11 0.00 -1.41 0.00 0.00 57.07 54.94 1fk5 s TYR 81 Cb 0.22 -0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1fk5 s TYR 81 CO 0.38 -0.63 0.23 0.99 -2.51 0.00 0.00 175.55 174.00 1fk5 s THR 82 N -4.03 5.35 -0.20 -3.49 2.01 -1.26 -5.04 115.64 108.97 1fk5 s THR 82 Ca 0.24 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1fk5 s THR 82 Cb 0.05 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1fk5 s THR 82 CO 0.03 0.48 1.52 -0.63 -0.69 0.00 0.00 174.62 175.33 1fk5 s ILE 83 N -0.10 3.84 0.10 1.82 1.01 -1.26 -4.72 121.20 121.88 1fk5 s ILE 83 Ca 0.15 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 1fk5 s ILE 83 Cb -0.13 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.60 1fk5 s ILE 83 CO 0.03 -0.26 0.45 -0.55 0.00 0.00 0.00 174.94 174.61 1fk5 s SER 84 N 3.51 -0.32 0.36 3.58 0.15 -1.26 -4.94 113.70 114.79 1fk5 s SER 84 Ca 0.67 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.45 1fk5 s SER 84 Cb -0.24 0.48 1.30 0.00 -1.71 0.00 0.00 66.02 65.84 1fk5 s SER 84 CO 0.26 -0.80 1.78 0.71 1.20 0.00 0.00 173.24 176.40 1fk5 h THR 85 N 2.55 0.00 0.00 6.45 1.35 -1.92 -2.27 112.91 119.07 1fk5 h THR 85 Ca -0.33 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1fk5 h THR 85 Cb 1.24 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1fk5 h THR 85 CO 0.44 0.00 -0.62 0.28 -0.25 0.00 0.00 175.52 175.37 1fk5 h SER 86 N 0.00 0.00 -3.46 5.36 0.02 -1.95 -3.47 113.55 110.05 1fk5 h SER 86 Ca 0.00 -0.20 -0.53 0.00 -0.84 0.00 0.00 61.79 60.22 1fk5 h SER 86 Cb 0.13 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.75 1fk5 h SER 86 CO 0.00 0.10 0.87 -0.89 -1.14 0.00 0.00 176.83 175.77 1fk5 s THR 87 N -3.17 2.05 -0.52 -2.27 2.01 -0.86 -4.96 115.64 107.93 1fk5 s THR 87 Ca 0.06 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1fk5 s THR 87 Cb 0.13 -3.03 0.13 0.00 0.01 0.00 0.00 72.50 69.74 1fk5 s THR 87 CO 0.72 0.01 0.44 -0.62 -0.69 0.00 0.00 174.62 174.48 1fk5 s ASP 88 N 0.36 6.00 0.59 3.53 3.68 -1.26 -4.94 116.67 124.64 1fk5 s ASP 88 Ca 0.61 -1.86 0.38 0.00 2.13 0.00 0.00 52.55 53.82 1fk5 s ASP 88 Cb -0.48 -2.13 1.90 0.00 -1.45 0.00 0.00 42.92 40.76 1fk5 s ASP 88 CO 0.51 -0.79 2.16 0.00 0.13 0.00 0.00 175.17 177.18 1fk5 h SER 90 N 0.00 0.00 -0.01 0.00 4.64 -1.93 -2.89 113.55 113.36 1fk5 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fk5 h SER 90 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fk5 h SER 90 CO 0.00 0.00 -0.16 -2.11 -0.87 0.00 0.00 176.83 173.69 1fk5 n ARG 91 N -2.45 1.86 -2.45 4.77 1.85 -0.69 -4.95 116.66 114.60 1fk5 n ARG 91 Ca 0.02 -1.50 -0.40 0.00 -1.00 0.00 0.00 57.85 54.97 1fk5 n ARG 91 Cb 0.28 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 30.18 1fk5 n ARG 91 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1fk5 s VAL 92 N -2.18 3.44 -1.83 8.89 1.01 -1.09 -5.12 120.40 123.52 1fk5 s VAL 92 Ca 0.26 1.44 0.15 0.00 0.00 0.00 0.00 61.98 63.82 1fk5 s VAL 92 Cb 0.19 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1fk5 s VAL 92 CO 0.40 0.33 0.96 0.59 0.00 0.00 0.00 175.10 177.39