#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fk1 s ILE 2 N 0.00 2.79 0.17 0.00 -1.09 -1.26 -5.08 121.20 116.73 1fk1 s ILE 2 Ca 0.00 -0.73 0.10 0.00 -2.23 0.00 0.00 60.65 57.79 1fk1 s ILE 2 Cb 0.00 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1fk1 s ILE 2 CO 0.00 0.51 -0.20 -0.94 -1.23 0.00 0.00 174.94 173.08 1fk1 s SER 3 N 0.72 3.70 0.44 3.58 1.04 -1.26 -4.83 113.70 117.08 1fk1 s SER 3 Ca -0.06 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.83 1fk1 s SER 3 Cb -0.15 -0.41 1.02 0.00 0.10 0.00 0.00 66.02 66.57 1fk1 s SER 3 CO 0.02 0.14 1.94 0.00 0.98 0.00 0.00 173.24 176.31 1fk1 h GLY 5 N 0.97 1.06 0.89 0.00 0.00 -1.99 0.45 103.07 104.46 1fk1 h GLY 5 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1fk1 h GLY 5 CO 0.03 0.64 0.01 -1.61 0.00 0.00 0.00 176.54 175.61 1fk1 h GLN 6 N 0.93 0.54 -0.23 4.80 4.15 -1.76 -1.79 115.11 121.75 1fk1 h GLN 6 Ca 0.19 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1fk1 h GLN 6 Cb 0.42 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1fk1 h GLN 6 CO 0.01 0.67 0.14 0.28 -1.93 0.00 0.00 178.83 178.01 1fk1 h VAL 7 N 0.34 1.07 -0.66 2.39 2.07 -1.17 -2.24 116.25 118.05 1fk1 h VAL 7 Ca 0.09 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1fk1 h VAL 7 Cb 0.42 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1fk1 h VAL 7 CO 0.01 0.07 0.41 0.00 0.02 0.00 0.00 177.57 178.09 1fk1 h ALA 8 N 1.06 0.86 -0.71 1.67 0.00 -0.82 -2.15 119.26 119.17 1fk1 h ALA 8 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1fk1 h ALA 8 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1fk1 h ALA 8 CO -0.02 0.17 0.31 0.77 0.00 0.00 0.00 179.25 180.48 1fk1 h SER 9 N 0.80 0.93 -0.32 0.00 0.02 -1.12 -1.57 113.55 112.29 1fk1 h SER 9 Ca 0.27 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1fk1 h SER 9 Cb 0.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1fk1 h SER 9 CO -0.11 0.81 -0.11 0.00 -1.14 0.00 0.00 176.83 176.28 1fk1 h ALA 10 N 1.33 0.44 -0.02 3.77 0.00 -0.82 -3.26 119.26 120.71 1fk1 h ALA 10 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fk1 h ALA 10 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fk1 h ALA 10 CO -0.03 0.31 -0.10 0.44 0.00 0.00 0.00 179.25 179.87 1fk1 n ILE 11 N -4.42 0.00 -0.31 0.00 -5.35 -0.87 -4.03 119.36 104.40 1fk1 n ILE 11 Ca -0.03 -0.29 0.13 0.00 -0.27 0.00 0.00 62.75 62.29 1fk1 n ILE 11 Cb 0.35 0.80 0.30 0.00 -1.74 0.00 0.00 39.64 39.36 1fk1 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fk1 h ALA 12 N 4.26 1.44 0.00 -1.28 0.00 -1.32 0.40 119.26 122.75 1fk1 h ALA 12 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1fk1 h ALA 12 Cb 0.65 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1fk1 h ALA 12 CO 0.00 -0.31 0.00 -1.35 0.00 0.00 0.00 179.25 177.59 1fk1 h PRO 13 N 0.44 0.00 0.00 0.00 0.11 -1.83 -2.65 132.00 128.06 1fk1 h PRO 13 Ca 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.63 1fk1 h PRO 13 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1fk1 h PRO 13 CO -0.51 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.13 1fk1 h ILE 15 N 0.00 0.88 -0.92 0.00 1.08 -1.47 -2.12 117.51 114.96 1fk1 h ILE 15 Ca -0.00 -0.24 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 1fk1 h ILE 15 Cb 1.10 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1fk1 h ILE 15 CO 0.02 0.13 0.57 0.77 -0.69 0.00 0.00 178.15 178.94 1fk1 h SER 16 N 0.69 0.87 -0.33 1.72 4.64 -1.79 -1.55 113.55 117.80 1fk1 h SER 16 Ca 0.37 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1fk1 h SER 16 Cb 0.37 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1fk1 h SER 16 CO -0.26 0.52 -0.33 0.22 -0.87 0.00 0.00 176.83 176.11 1fk1 h TYR 17 N 0.98 1.02 0.00 4.77 3.20 -1.51 -1.15 116.97 124.28 1fk1 h TYR 17 Ca 0.42 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1fk1 h TYR 17 Cb 0.28 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1fk1 h TYR 17 CO -0.03 1.07 -0.03 0.00 -1.64 0.00 0.00 178.16 177.54 1fk1 h ALA 18 N 0.89 1.10 -0.01 1.82 0.00 -0.76 -1.15 119.26 121.16 1fk1 h ALA 18 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fk1 h ALA 18 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1fk1 h ALA 18 CO 0.08 0.04 -0.14 0.54 0.00 0.00 0.00 179.25 179.77 1fk1 n ARG 19 N -3.26 0.94 0.00 0.00 1.74 -0.64 0.87 116.66 116.30 1fk1 n ARG 19 Ca -0.02 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 1fk1 n ARG 19 Cb 0.18 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1fk1 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fk1 n GLY 20 N 1.27 0.94 3.80 -0.13 0.00 -0.43 -4.46 105.19 106.18 1fk1 n GLY 20 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1fk1 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fk1 s GLN 21 N -0.90 3.99 0.00 1.61 -0.21 -0.48 -4.96 119.66 118.72 1fk1 s GLN 21 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.62 1fk1 s GLN 21 Cb 0.00 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1fk1 s GLN 21 CO 0.00 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1fk1 n GLY 22 N 2.47 -0.63 0.77 3.09 0.00 -1.26 -3.58 105.19 106.05 1fk1 n GLY 22 Ca -0.13 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1fk1 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fk1 n SER 23 N -1.45 2.54 -3.59 1.61 3.41 -1.26 -4.99 113.62 109.88 1fk1 n SER 23 Ca 0.00 -1.79 0.02 0.00 -0.26 0.00 0.00 58.87 56.84 1fk1 n SER 23 Cb 0.00 0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1fk1 n SER 23 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1fk1 s GLY 24 N -2.15 -0.41 0.39 5.00 0.00 -1.26 -5.14 107.32 103.76 1fk1 s GLY 24 Ca 0.26 1.15 -0.26 0.00 0.00 0.00 0.00 44.72 45.87 1fk1 s GLY 24 CO 0.38 0.28 1.26 2.56 0.00 0.00 0.00 173.10 177.58 1fk1 s PRO 25 N -2.12 4.04 0.87 2.90 0.04 -1.26 -4.93 135.00 134.54 1fk1 s PRO 25 Ca 0.14 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 1fk1 s PRO 25 Cb 0.05 -2.77 0.11 0.00 0.04 0.00 0.00 34.50 31.93 1fk1 s PRO 25 CO -0.05 -0.40 1.11 -1.54 0.04 0.00 0.00 177.00 176.15 1fk1 s SER 26 N -0.84 3.79 0.28 6.66 1.04 -1.26 -4.82 113.70 118.55 1fk1 s SER 26 Ca 0.56 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 58.20 1fk1 s SER 26 Cb -0.36 -1.92 0.39 0.00 0.10 0.00 0.00 66.02 64.23 1fk1 s SER 26 CO 0.46 -2.40 1.93 0.00 0.98 0.00 0.00 173.24 174.21 1fk1 h ALA 27 N -1.39 1.34 -0.59 5.32 0.00 -1.98 -0.84 119.26 121.12 1fk1 h ALA 27 Ca -0.49 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1fk1 h ALA 27 Cb 1.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1fk1 h ALA 27 CO 0.59 0.58 0.03 0.78 0.00 0.00 0.00 179.25 181.23 1fk1 h GLY 28 N 1.15 1.07 0.87 0.00 0.00 -1.95 0.17 103.07 104.38 1fk1 h GLY 28 Ca 0.30 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1fk1 h GLY 28 CO -0.06 0.68 -0.01 0.00 0.00 0.00 0.00 176.54 177.16 1fk1 h SER 31 N 0.62 0.64 -0.38 0.00 0.87 -0.52 -0.48 113.55 114.30 1fk1 h SER 31 Ca 0.16 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1fk1 h SER 31 Cb 0.10 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1fk1 h SER 31 CO -0.02 0.58 -0.05 1.23 -0.53 0.00 0.00 176.83 178.04 1fk1 h GLY 32 N 0.66 0.77 0.99 5.77 0.00 -0.58 -1.99 103.07 108.68 1fk1 h GLY 32 Ca 0.17 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1fk1 h GLY 32 CO -0.02 0.55 0.24 -2.08 0.00 0.00 0.00 176.54 175.23 1fk1 h VAL 33 N 0.52 1.12 -0.63 4.60 2.07 -0.94 -2.06 116.25 120.93 1fk1 h VAL 33 Ca 0.10 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1fk1 h VAL 33 Cb 0.55 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1fk1 h VAL 33 CO 0.03 0.12 0.12 -0.09 0.02 0.00 0.00 177.57 177.77 1fk1 h ARG 34 N 0.52 1.03 -0.48 1.57 2.43 -1.04 -1.37 114.38 117.04 1fk1 h ARG 34 Ca 0.14 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1fk1 h ARG 34 Cb -0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1fk1 h ARG 34 CO -0.03 0.95 -0.01 0.66 -1.51 0.00 0.00 179.97 180.03 1fk1 h SER 35 N 0.94 0.76 -0.20 -3.80 4.64 -1.21 -1.79 113.55 112.89 1fk1 h SER 35 Ca 0.19 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1fk1 h SER 35 Cb 0.41 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1fk1 h SER 35 CO 0.01 0.84 -0.35 0.25 -0.87 0.00 0.00 176.83 176.70 1fk1 h LEU 36 N 0.74 0.76 -1.23 5.97 5.85 -1.19 -1.32 115.31 124.89 1fk1 h LEU 36 Ca 0.14 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1fk1 h LEU 36 Cb 0.46 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1fk1 h LEU 36 CO 0.02 1.04 0.13 -1.13 -0.34 0.00 0.00 178.44 178.16 1fk1 h ASN 37 N 0.60 0.61 1.31 1.25 -0.00 -0.80 -2.07 115.58 116.50 1fk1 h ASN 37 Ca 0.06 -0.09 -0.14 0.00 -0.00 0.00 0.00 56.30 56.14 1fk1 h ASN 37 Cb 0.88 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 39.02 1fk1 h ASN 37 CO 0.08 0.60 -0.65 0.78 -0.00 0.00 0.00 177.43 178.23 1fk1 h ASN 38 N 0.66 0.00 1.43 1.15 4.21 -0.82 -3.23 115.58 118.98 1fk1 h ASN 38 Ca 0.15 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.56 1fk1 h ASN 38 Cb 0.21 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1fk1 h ASN 38 CO -0.01 0.65 -0.51 0.00 -1.29 0.00 0.00 177.43 176.27 1fk1 h ALA 39 N 1.35 0.68 -1.50 -0.83 0.00 -0.82 -3.39 119.26 114.75 1fk1 h ALA 39 Ca -0.01 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 1fk1 h ALA 39 Cb 1.48 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 1fk1 h ALA 39 CO 0.08 0.64 1.28 0.00 0.00 0.00 0.00 179.25 181.25 1fk1 s ALA 40 N -3.00 3.24 -0.80 0.00 0.00 -0.82 -4.79 121.76 115.59 1fk1 s ALA 40 Ca 0.04 -2.70 0.20 0.00 0.00 0.00 0.00 51.96 49.50 1fk1 s ALA 40 Cb 0.08 -4.29 -0.24 0.00 0.00 0.00 0.00 23.12 18.67 1fk1 s ALA 40 CO 0.74 -3.20 0.79 0.54 0.00 0.00 0.00 175.76 174.64 1fk1 n ARG 41 N 7.40 0.32 -4.43 0.00 1.74 -1.26 -4.73 116.66 115.69 1fk1 n ARG 41 Ca 0.32 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1fk1 n ARG 41 Cb 0.48 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1fk1 n ARG 41 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1fk1 s THR 42 N -3.02 1.26 0.21 0.55 -4.23 -1.26 -5.03 115.64 104.11 1fk1 s THR 42 Ca 0.05 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 1fk1 s THR 42 Cb 0.15 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.45 1fk1 s THR 42 CO 0.85 -0.09 1.83 0.74 -0.54 0.00 0.00 174.62 177.40 1fk1 h THR 43 N 2.18 1.23 -0.46 3.99 2.02 -1.95 -1.40 112.91 118.52 1fk1 h THR 43 Ca -0.40 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1fk1 h THR 43 Cb 1.24 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1fk1 h THR 43 CO 0.69 0.25 0.27 0.00 0.37 0.00 0.00 175.52 177.10 1fk1 h ALA 44 N 1.22 0.59 -0.46 6.16 0.00 -1.96 -0.81 119.26 124.00 1fk1 h ALA 44 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1fk1 h ALA 44 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1fk1 h ALA 44 CO -0.04 0.09 0.29 -0.44 0.00 0.00 0.00 179.25 179.14 1fk1 h ASP 45 N 0.61 0.54 -0.19 0.00 3.45 -1.89 -2.25 116.42 116.69 1fk1 h ASP 45 Ca 0.16 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 1fk1 h ASP 45 Cb 0.01 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1fk1 h ASP 45 CO -0.03 0.42 -0.10 0.03 -1.57 0.00 0.00 179.24 177.99 1fk1 h ARG 46 N 0.61 0.56 -0.19 3.56 3.08 -0.81 -0.88 114.38 120.32 1fk1 h ARG 46 Ca 0.17 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1fk1 h ARG 46 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1fk1 h ARG 46 CO -0.03 0.66 -0.47 0.00 -1.07 0.00 0.00 179.97 179.05 1fk1 h ARG 47 N 0.52 0.49 -0.09 0.04 3.08 -1.03 -1.04 114.38 116.35 1fk1 h ARG 47 Ca 0.10 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1fk1 h ARG 47 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1fk1 h ARG 47 CO 0.03 0.86 -0.08 0.00 -1.07 0.00 0.00 179.97 179.71 1fk1 h ALA 48 N 1.09 0.14 -0.93 0.04 0.00 -1.23 -1.92 119.26 116.46 1fk1 h ALA 48 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1fk1 h ALA 48 Cb 0.98 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1fk1 h ALA 48 CO 0.09 -0.05 0.61 0.00 0.00 0.00 0.00 179.25 179.89 1fk1 h ALA 49 N 0.59 1.20 -0.39 0.00 0.00 -1.13 -0.74 119.26 118.80 1fk1 h ALA 49 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1fk1 h ALA 49 Cb 0.57 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1fk1 h ALA 49 CO 0.02 0.51 0.15 0.00 0.00 0.00 0.00 179.25 179.93 1fk1 h ASN 51 N 0.32 0.94 -0.54 0.00 2.35 -0.93 0.68 115.58 118.40 1fk1 h ASN 51 Ca 0.18 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 1fk1 h ASN 51 Cb 0.14 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1fk1 h ASN 51 CO -0.16 1.05 0.24 0.00 -1.65 0.00 0.00 177.43 176.90 1fk1 h LEU 53 N 0.73 1.07 -0.66 0.00 3.38 -0.12 -1.29 115.31 118.41 1fk1 h LEU 53 Ca 0.18 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fk1 h LEU 53 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1fk1 h LEU 53 CO -0.02 1.06 0.41 0.50 0.09 0.00 0.00 178.44 180.47 1fk1 h LYS 54 N 1.04 0.90 -0.50 1.13 3.64 -0.76 0.89 116.57 122.90 1fk1 h LYS 54 Ca 0.20 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1fk1 h LYS 54 Cb 0.45 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1fk1 h LYS 54 CO 0.01 0.63 -0.12 -0.97 -2.27 0.00 0.00 179.45 176.74 1fk1 h ASN 55 N 0.90 0.93 -0.42 4.20 -0.73 -1.28 -2.24 115.58 116.94 1fk1 h ASN 55 Ca 0.24 -0.30 -0.07 0.00 1.87 0.00 0.00 56.30 58.04 1fk1 h ASN 55 Cb -0.04 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.29 1fk1 h ASN 55 CO -0.05 1.05 0.01 0.00 -0.37 0.00 0.00 177.43 178.07 1fk1 h ALA 56 N 1.03 0.57 -0.70 1.57 0.00 -0.79 -2.82 119.26 118.11 1fk1 h ALA 56 Ca 0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1fk1 h ALA 56 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1fk1 h ALA 56 CO 0.05 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.81 1fk1 h ALA 57 N 0.90 0.93 0.00 0.00 0.00 -0.62 -3.07 119.26 117.40 1fk1 h ALA 57 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1fk1 h ALA 57 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fk1 h ALA 57 CO 0.02 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 1fk1 h ALA 58 N 1.08 1.02 -0.60 0.00 0.00 -1.31 -3.18 119.26 116.27 1fk1 h ALA 58 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fk1 h ALA 58 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fk1 h ALA 58 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1fk1 n GLY 59 N 0.04 2.87 3.56 0.00 0.00 -1.07 -4.90 105.19 105.69 1fk1 n GLY 59 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1fk1 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fk1 s VAL 60 N -1.92 4.20 0.09 1.61 1.01 -1.20 -5.00 120.40 119.18 1fk1 s VAL 60 Ca 0.49 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1fk1 s VAL 60 Cb 0.32 -4.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1fk1 s VAL 60 CO 0.23 -1.19 1.51 -0.44 0.00 0.00 0.00 175.10 175.21 1fk1 s SER 61 N 2.81 6.71 -0.05 3.32 0.01 -1.26 -2.09 113.70 123.15 1fk1 s SER 61 Ca 0.38 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.04 1fk1 s SER 61 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1fk1 s SER 61 CO 0.24 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1fk1 n GLY 62 N 3.74 0.44 3.53 3.44 0.00 -1.26 -4.86 105.19 110.22 1fk1 n GLY 62 Ca 0.14 -0.85 -0.59 0.00 0.00 0.00 0.00 46.02 44.72 1fk1 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fk1 n LEU 63 N -0.06 0.35 -4.24 0.99 7.94 -0.89 -4.58 117.00 116.51 1fk1 n LEU 63 Ca -0.01 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 1fk1 n LEU 63 Cb 0.02 -0.96 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 1fk1 n LEU 63 CO 0.01 -1.69 0.10 0.21 -1.11 0.00 0.00 177.39 174.91 1fk1 s ASN 64 N 0.34 5.96 0.22 1.96 2.47 0.25 -4.95 114.94 121.19 1fk1 s ASN 64 Ca 0.91 -2.10 -0.09 0.00 0.42 0.00 0.00 52.86 52.00 1fk1 s ASN 64 Cb -1.24 -2.08 0.32 0.00 -1.45 0.00 0.00 41.25 36.80 1fk1 s ASN 64 CO 0.58 -0.69 1.71 0.00 -3.72 0.00 0.00 177.10 174.98 1fk1 h ALA 65 N 8.32 0.77 -0.50 1.71 0.00 -1.92 -1.68 119.26 125.96 1fk1 h ALA 65 Ca -0.16 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fk1 h ALA 65 Cb 1.06 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1fk1 h ALA 65 CO 0.88 -0.29 0.31 0.78 0.00 0.00 0.00 179.25 180.93 1fk1 h GLY 66 N 0.30 0.72 0.90 0.00 0.00 -1.95 -1.45 103.07 101.60 1fk1 h GLY 66 Ca 0.33 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1fk1 h GLY 66 CO -0.40 0.29 0.02 3.43 0.00 0.00 0.00 176.54 179.88 1fk1 h ASN 67 N 0.67 0.04 -0.53 0.19 4.21 -1.72 -2.86 115.58 115.59 1fk1 h ASN 67 Ca 0.18 -0.10 0.08 0.00 1.21 0.00 0.00 56.30 57.67 1fk1 h ASN 67 Cb -0.02 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.10 1fk1 h ASN 67 CO -0.03 0.14 0.17 0.00 -1.29 0.00 0.00 177.43 176.41 1fk1 h ALA 68 N 0.91 0.65 0.00 -0.83 0.00 -1.08 -2.35 119.26 116.55 1fk1 h ALA 68 Ca 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fk1 h ALA 68 Cb 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fk1 h ALA 68 CO -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 179.25 178.87 1fk1 h ALA 69 N 1.37 1.75 -0.00 0.00 0.00 -1.23 -2.96 119.26 118.19 1fk1 h ALA 69 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fk1 h ALA 69 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fk1 h ALA 69 CO -0.28 0.18 -0.18 -1.13 0.00 0.00 0.00 179.25 177.84 1fk1 n SER 70 N -4.35 0.35 -0.00 0.00 3.41 -0.89 -4.42 113.62 107.71 1fk1 n SER 70 Ca -0.03 -0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.30 1fk1 n SER 70 Cb 0.22 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1fk1 n SER 70 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fk1 h ILE 71 N 0.27 0.74 -0.34 -1.33 2.04 -1.43 -0.78 117.51 116.68 1fk1 h ILE 71 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1fk1 h ILE 71 Cb 0.44 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1fk1 h ILE 71 CO 0.00 0.00 0.08 -0.65 0.00 0.00 0.00 178.15 177.58 1fk1 h PRO 72 N -0.09 0.19 -0.50 2.37 0.11 -1.82 -1.00 132.00 131.27 1fk1 h PRO 72 Ca 0.08 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 1fk1 h PRO 72 Cb 0.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1fk1 h PRO 72 CO -0.18 0.13 -0.10 0.66 -0.21 0.00 0.00 178.00 178.29 1fk1 h SER 73 N 0.20 0.95 0.86 -2.05 4.64 -1.64 -0.43 113.55 116.08 1fk1 h SER 73 Ca 0.16 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 1fk1 h SER 73 Cb 0.17 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1fk1 h SER 73 CO -0.20 1.08 -0.10 0.11 -0.87 0.00 0.00 176.83 176.85 1fk1 h LYS 74 N 0.80 0.00 -0.04 4.77 1.57 -0.88 -2.16 116.57 120.64 1fk1 h LYS 74 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1fk1 h LYS 74 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1fk1 h LYS 74 CO 0.05 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1fk1 n GLY 76 N 1.25 0.73 3.47 0.00 0.00 -0.81 -4.95 105.19 104.88 1fk1 n GLY 76 Ca 0.17 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1fk1 n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fk1 s VAL 77 N -2.21 3.37 -0.16 1.61 -7.23 -0.22 -5.02 120.40 110.54 1fk1 s VAL 77 Ca 0.00 -0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 1fk1 s VAL 77 Cb 0.00 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1fk1 s VAL 77 CO 0.00 0.55 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.38 1fk1 s SER 78 N -0.17 4.92 0.12 4.85 1.04 -1.26 -3.87 113.70 119.32 1fk1 s SER 78 Ca 0.01 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.43 1fk1 s SER 78 Cb -0.13 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1fk1 s SER 78 CO 0.03 0.17 -0.22 0.27 0.98 0.00 0.00 173.24 174.47 1fk1 s ILE 79 N 0.36 1.90 -2.00 -1.02 -4.36 -1.26 -5.05 121.20 109.77 1fk1 s ILE 79 Ca -0.03 -1.67 0.19 0.00 -0.26 0.00 0.00 60.65 58.87 1fk1 s ILE 79 Cb -0.14 -1.74 0.53 0.00 1.25 0.00 0.00 42.46 42.36 1fk1 s ILE 79 CO 0.03 -0.06 1.61 -0.81 0.24 0.00 0.00 174.94 175.95 1fk1 n PRO 80 N 0.89 0.83 -4.05 0.37 -0.04 -1.26 -4.84 135.00 126.91 1fk1 n PRO 80 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1fk1 n PRO 80 Cb 0.54 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1fk1 n PRO 80 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1fk1 s TYR 81 N -2.00 0.63 -0.25 0.54 1.13 -1.26 -5.14 117.35 111.01 1fk1 s TYR 81 Ca 0.28 -0.98 -0.11 0.00 -1.41 0.00 0.00 57.07 54.85 1fk1 s TYR 81 Cb 0.13 -0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 40.71 1fk1 s TYR 81 CO 0.22 -0.67 0.20 0.99 -2.51 0.00 0.00 175.55 173.77 1fk1 s THR 82 N -4.02 5.33 -0.01 -3.49 2.01 -1.26 -5.04 115.64 109.15 1fk1 s THR 82 Ca 0.22 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1fk1 s THR 82 Cb 0.05 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1fk1 s THR 82 CO 0.03 0.31 1.87 -0.63 -0.69 0.00 0.00 174.62 175.51 1fk1 s ILE 83 N 1.27 3.21 0.10 1.82 1.01 -1.26 -4.72 121.20 122.63 1fk1 s ILE 83 Ca 0.09 0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.74 1fk1 s ILE 83 Cb -0.14 -3.17 0.07 0.00 0.01 0.00 0.00 42.46 39.23 1fk1 s ILE 83 CO 0.06 -0.03 0.65 -0.55 0.00 0.00 0.00 174.94 175.07 1fk1 s SER 84 N 4.31 -0.57 0.22 3.58 0.15 -1.26 -4.95 113.70 115.18 1fk1 s SER 84 Ca 0.84 0.16 0.18 0.00 0.70 0.00 0.00 55.95 57.84 1fk1 s SER 84 Cb -0.39 0.56 0.88 0.00 -1.71 0.00 0.00 66.02 65.37 1fk1 s SER 84 CO 0.37 -0.85 1.56 0.35 1.20 0.00 0.00 173.24 175.87 1fk1 n THR 85 N -0.07 1.10 0.77 6.45 -2.24 -1.26 -1.92 114.28 117.11 1fk1 n THR 85 Ca -0.17 0.48 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1fk1 n THR 85 Cb 0.63 -1.43 0.24 0.00 -2.10 0.00 0.00 70.33 67.67 1fk1 n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1fk1 n SER 86 N -2.06 0.57 -4.73 3.42 7.64 -1.26 -4.90 113.62 112.30 1fk1 n SER 86 Ca 0.00 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 1fk1 n SER 86 Cb 0.11 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1fk1 n SER 86 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fk1 s THR 87 N -3.09 2.28 -0.51 0.44 2.01 -0.81 -4.97 115.64 110.99 1fk1 s THR 87 Ca 0.09 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 1fk1 s THR 87 Cb 0.15 -3.13 0.10 0.00 0.01 0.00 0.00 72.50 69.63 1fk1 s THR 87 CO 0.70 0.02 0.47 -0.62 -0.69 0.00 0.00 174.62 174.50 1fk1 s ASP 88 N 0.92 6.17 0.53 3.53 3.68 -1.26 -4.93 116.67 125.31 1fk1 s ASP 88 Ca 0.69 -1.56 0.35 0.00 2.13 0.00 0.00 52.55 54.15 1fk1 s ASP 88 Cb -0.47 -2.21 1.56 0.00 -1.45 0.00 0.00 42.92 40.36 1fk1 s ASP 88 CO 0.37 -0.78 2.03 0.00 0.13 0.00 0.00 175.17 176.91 1fk1 h SER 90 N 0.00 0.00 0.24 0.00 4.64 -1.93 -2.78 113.55 113.72 1fk1 h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fk1 h SER 90 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1fk1 h SER 90 CO 0.00 0.00 -0.60 -2.11 -0.87 0.00 0.00 176.83 173.25 1fk1 n ARG 91 N -2.54 0.31 -1.99 4.77 1.85 -0.94 -4.91 116.66 113.21 1fk1 n ARG 91 Ca 0.04 -0.22 -0.42 0.00 -1.00 0.00 0.00 57.85 56.24 1fk1 n ARG 91 Cb 0.38 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 1fk1 n ARG 91 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1fk1 s VAL 92 N -2.84 3.36 0.00 8.89 1.01 -1.05 -5.12 120.40 124.65 1fk1 s VAL 92 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1fk1 s VAL 92 Cb 0.17 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1fk1 s VAL 92 CO 0.70 -0.03 0.00 0.59 0.00 0.00 0.00 175.10 176.36