#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n LYS 2 N 0.00 0.00 -0.49 3.17 2.85 -1.26 -4.78 118.16 117.65 3cf5 n LYS 2 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 3cf5 n LYS 2 Cb 0.00 -0.03 0.21 0.00 -0.65 0.00 0.00 35.03 34.56 3cf5 n LYS 2 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3cf5 n PRO 3 N -1.97 -2.74 -0.60 -1.58 -0.02 -1.26 -4.46 135.00 122.36 3cf5 n PRO 3 Ca 0.00 -0.80 0.47 0.00 -2.02 0.00 0.00 63.50 61.15 3cf5 n PRO 3 Cb 0.00 -1.73 0.76 0.00 -0.02 0.00 0.00 33.50 32.51 3cf5 n PRO 3 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cf5 h SER 4 N -2.74 0.08 0.00 2.55 0.02 -2.01 1.80 113.55 113.24 3cf5 h SER 4 Ca -0.42 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3cf5 h SER 4 Cb 1.15 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3cf5 h SER 4 CO 0.29 -0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 175.27 3cf5 n GLU 5 N -4.25 0.29 -0.13 3.45 1.02 -1.26 0.15 120.64 119.92 3cf5 n GLU 5 Ca 0.42 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.29 3cf5 n GLU 5 Cb 1.79 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 31.65 3cf5 n GLU 5 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3cf5 n MET 6 N -0.96 0.58 0.10 3.49 1.56 0.61 -4.33 117.12 118.16 3cf5 n MET 6 Ca 0.07 0.33 -0.03 0.00 -0.27 0.00 0.00 57.70 57.80 3cf5 n MET 6 Cb 0.03 -1.55 0.19 0.00 2.15 0.00 0.00 33.22 34.05 3cf5 n MET 6 CO 0.00 0.00 0.00 0.07 -0.73 0.00 0.00 175.97 175.31 3cf5 h ARG 7 N -1.00 0.21 -0.06 2.12 -0.00 -1.32 -3.07 114.38 111.26 3cf5 h ARG 7 Ca -0.59 -0.12 0.02 0.00 -0.00 0.00 0.00 59.98 59.29 3cf5 h ARG 7 Cb 1.51 0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 31.48 3cf5 h ARG 7 CO -0.36 0.65 0.78 0.09 -0.00 0.00 0.00 179.97 181.14 3cf5 n ASN 8 N -3.97 0.00 -4.96 0.08 4.13 0.41 -4.47 115.26 106.48 3cf5 n ASN 8 Ca -0.02 0.40 -0.20 0.00 1.68 0.00 0.00 54.58 56.45 3cf5 n ASN 8 Cb 0.53 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3cf5 n ASN 8 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3cf5 s LEU 9 N -4.19 3.38 0.40 3.41 1.43 -1.16 -5.07 118.68 116.88 3cf5 s LEU 9 Ca -0.00 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 3cf5 s LEU 9 Cb 0.01 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 3cf5 s LEU 9 CO 0.03 -0.87 1.01 -1.10 0.23 0.00 0.00 176.35 175.66 3cf5 s GLN 10 N -4.33 4.22 0.31 1.70 -1.52 -1.26 -4.85 119.66 113.92 3cf5 s GLN 10 Ca 0.52 1.40 0.08 0.00 -1.95 0.00 0.00 55.36 55.41 3cf5 s GLN 10 Cb -0.06 -2.48 0.83 0.00 -0.22 0.00 0.00 33.01 31.07 3cf5 s GLN 10 CO 0.31 -0.07 1.73 0.00 -0.25 0.00 0.00 175.29 177.01 3cf5 h ALA 11 N 2.43 1.69 -0.19 6.09 0.00 -1.99 1.06 119.26 128.35 3cf5 h ALA 11 Ca -0.48 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3cf5 h ALA 11 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3cf5 h ALA 11 CO 0.62 -0.25 -0.03 1.79 0.00 0.00 0.00 179.25 181.38 3cf5 h THR 12 N 0.57 1.27 -0.68 0.00 1.35 -1.99 -2.38 112.91 111.05 3cf5 h THR 12 Ca 0.62 -0.96 0.10 0.00 -0.55 0.00 0.00 66.41 65.61 3cf5 h THR 12 Cb 1.14 1.52 -0.07 0.00 -1.73 0.00 0.00 68.15 69.01 3cf5 h THR 12 CO -0.47 0.29 0.31 0.44 -0.25 0.00 0.00 175.52 175.84 3cf5 h ASP 13 N 0.09 0.37 -0.20 5.36 3.32 0.37 0.67 116.42 126.41 3cf5 h ASP 13 Ca 0.05 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3cf5 h ASP 13 Cb 0.45 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3cf5 h ASP 13 CO 0.02 0.20 -0.38 -0.26 -1.72 0.00 0.00 179.24 177.10 3cf5 h PHE 14 N 0.52 -1.08 -0.95 4.55 -1.00 0.77 2.86 116.94 122.60 3cf5 h PHE 14 Ca 0.34 0.05 0.15 0.00 2.81 0.00 0.00 57.97 61.33 3cf5 h PHE 14 Cb 0.40 0.50 -0.08 0.00 3.61 0.00 0.00 35.95 40.38 3cf5 h PHE 14 CO -0.13 -0.44 0.60 0.00 -1.61 0.00 0.00 178.31 176.73 3cf5 h ALA 15 N 0.32 1.73 -0.32 2.45 0.00 -0.23 0.30 119.26 123.50 3cf5 h ALA 15 Ca 0.10 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3cf5 h ALA 15 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3cf5 h ALA 15 CO -0.42 -0.01 -0.30 -0.22 0.00 0.00 0.00 179.25 178.30 3cf5 h LYS 16 N 0.78 0.68 -0.02 0.00 3.64 0.50 0.01 116.57 122.15 3cf5 h LYS 16 Ca 0.49 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3cf5 h LYS 16 Cb 0.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3cf5 h LYS 16 CO -0.26 0.89 0.00 0.39 -2.27 0.00 0.00 179.45 178.20 3cf5 n GLU 17 N -4.08 1.14 0.00 1.90 -0.58 0.91 -3.67 120.64 116.26 3cf5 n GLU 17 Ca -0.01 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 3cf5 n GLU 17 Cb 0.46 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 3cf5 n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3cf5 n ILE 18 N -0.67 0.00 0.00 -3.67 5.41 0.02 -4.39 119.36 116.05 3cf5 n ILE 18 Ca 0.19 0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.21 3cf5 n ILE 18 Cb 0.14 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3cf5 n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3cf5 n ASP 19 N -2.21 0.00 -0.08 4.38 5.75 -0.10 0.12 116.55 124.42 3cf5 n ASP 19 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 3cf5 n ASP 19 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3cf5 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cf5 n ALA 20 N 0.15 1.85 -0.06 2.12 0.00 -1.24 -4.14 120.51 119.18 3cf5 n ALA 20 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 3cf5 n ALA 20 Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 3cf5 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ARG 21 N -0.34 0.40 0.00 0.00 -0.00 -0.52 -2.52 114.38 111.41 3cf5 h ARG 21 Ca -0.37 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.98 58.87 3cf5 h ARG 21 Cb 1.42 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.40 3cf5 h ARG 21 CO -0.17 0.78 -0.10 0.87 0.00 0.00 0.00 179.97 181.36 3cf5 h LYS 22 N 0.04 0.00 -0.00 0.04 1.57 -1.78 2.97 116.57 119.41 3cf5 h LYS 22 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3cf5 h LYS 22 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3cf5 h LYS 22 CO 0.04 0.10 -0.66 -0.22 -0.57 0.00 0.00 179.45 178.14 3cf5 h LYS 23 N 0.00 0.01 0.21 3.15 3.64 -1.69 -2.25 116.57 119.64 3cf5 h LYS 23 Ca -0.00 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 3cf5 h LYS 23 Cb 0.26 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3cf5 h LYS 23 CO 0.01 0.67 -1.34 1.49 -2.27 0.00 0.00 179.45 178.01 3cf5 h GLU 24 N 0.01 0.54 0.00 1.90 4.81 0.37 -2.99 114.58 119.22 3cf5 h GLU 24 Ca -0.01 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.36 3cf5 h GLU 24 Cb 1.17 0.31 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3cf5 h GLU 24 CO 0.09 1.41 0.01 -0.11 -0.73 0.00 0.00 179.01 179.67 3cf5 n LEU 25 N -3.79 0.09 -0.06 1.64 7.94 0.94 -1.53 117.00 122.22 3cf5 n LEU 25 Ca -0.16 0.53 -0.05 0.00 -1.11 0.00 0.00 56.01 55.23 3cf5 n LEU 25 Cb 1.04 -0.54 -0.02 0.00 0.53 0.00 0.00 43.42 44.43 3cf5 n LEU 25 CO 0.59 -0.56 -0.35 0.80 -1.11 0.00 0.00 177.39 176.75 3cf5 n MET 26 N -1.61 0.39 -0.32 1.96 1.56 -0.86 -2.77 117.12 115.47 3cf5 n MET 26 Ca -0.00 0.41 0.11 0.00 -0.27 0.00 0.00 57.70 57.95 3cf5 n MET 26 Cb 0.02 -1.48 0.24 0.00 2.15 0.00 0.00 33.22 34.15 3cf5 n MET 26 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 3cf5 h GLU 27 N -0.83 0.04 0.48 2.12 4.39 -1.34 0.44 114.58 119.88 3cf5 h GLU 27 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3cf5 h GLU 27 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3cf5 h GLU 27 CO 0.00 0.03 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.40 3cf5 h LEU 28 N 0.04 -1.11 -1.80 1.33 -0.00 -1.46 -1.18 115.31 111.14 3cf5 h LEU 28 Ca 0.53 0.08 0.34 0.00 -0.00 0.00 0.00 57.88 58.84 3cf5 h LEU 28 Cb 1.04 0.35 -0.07 0.00 -0.00 0.00 0.00 40.66 41.98 3cf5 h LEU 28 CO -0.85 -0.57 0.83 -0.09 -0.00 0.00 0.00 178.44 177.77 3cf5 h ARG 29 N -0.87 0.10 0.00 1.13 2.43 -0.15 -0.50 114.38 116.52 3cf5 h ARG 29 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3cf5 h ARG 29 Cb 0.74 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3cf5 h ARG 29 CO -0.01 0.07 0.00 1.19 -1.51 0.00 0.00 179.97 179.70 3cf5 n PHE 30 N -4.32 0.00 -0.20 2.20 0.99 0.95 -2.86 117.46 114.22 3cf5 n PHE 30 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.80 3cf5 n PHE 30 Cb 1.20 -0.47 0.16 0.00 -1.00 0.00 0.00 39.48 39.37 3cf5 n PHE 30 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3cf5 n GLN 31 N -1.90 -0.05 0.00 -1.08 6.02 -0.52 0.13 117.38 119.99 3cf5 n GLN 31 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 3cf5 n GLN 31 Cb 0.00 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3cf5 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cf5 n ALA 32 N -3.42 -0.10 0.28 -1.58 0.00 -0.31 0.28 120.51 115.66 3cf5 n ALA 32 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 3cf5 n ALA 32 Cb 0.42 0.26 0.95 0.00 0.00 0.00 0.00 19.45 21.09 3cf5 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ALA 33 N -1.61 1.47 0.00 0.00 0.00 0.27 0.84 119.26 120.24 3cf5 h ALA 33 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cf5 h ALA 33 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3cf5 h ALA 33 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3cf5 n ALA 34 N -2.22 2.23 -1.92 0.00 0.00 0.35 -4.99 120.51 113.97 3cf5 n ALA 34 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3cf5 n ALA 34 Cb 0.20 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3cf5 n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 35 N 1.20 -3.57 0.00 0.00 0.00 0.80 -4.96 105.19 98.66 3cf5 n GLY 35 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3cf5 n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cf5 n GLN 36 N 0.42 0.00 -1.52 1.61 -0.06 -1.10 -4.95 117.38 111.77 3cf5 n GLN 36 Ca -0.07 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.54 3cf5 n GLN 36 Cb 0.11 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.22 3cf5 n GLN 36 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3cf5 n LEU 37 N 0.00 1.71 -0.02 1.69 0.00 -1.26 -4.71 117.00 114.42 3cf5 n LEU 37 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 56.01 55.86 3cf5 n LEU 37 Cb 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 43.42 41.97 3cf5 n LEU 37 CO 0.00 -1.21 -0.71 0.00 0.00 0.00 0.00 177.39 175.47 3cf5 n ALA 38 N 13.54 2.31 -1.98 1.96 0.00 -1.26 -4.70 120.51 130.38 3cf5 n ALA 38 Ca 0.46 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 3cf5 n ALA 38 Cb 0.35 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3cf5 n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cf5 n GLN 39 N -2.07 2.98 -0.38 0.00 6.02 -1.26 -4.85 117.38 117.82 3cf5 n GLN 39 Ca -0.06 -3.62 -0.08 0.00 -0.01 0.00 0.00 57.00 53.22 3cf5 n GLN 39 Cb 0.47 -2.29 -0.06 0.00 1.02 0.00 0.00 30.24 29.38 3cf5 n GLN 39 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3cf5 n PRO 40 N -0.50 -0.36 0.19 -1.09 -0.02 -1.26 -0.83 135.00 131.13 3cf5 n PRO 40 Ca 0.53 1.40 -0.15 0.00 -2.02 0.00 0.00 63.50 63.26 3cf5 n PRO 40 Cb 0.23 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3cf5 n PRO 40 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3cf5 h HIS 41 N 0.00 -0.96 -0.56 6.00 2.07 -2.01 -1.96 115.15 117.74 3cf5 h HIS 41 Ca 0.19 0.01 0.15 0.00 -2.85 0.00 0.00 60.37 57.87 3cf5 h HIS 41 Cb 0.42 0.38 -0.10 0.00 2.57 0.00 0.00 27.41 30.67 3cf5 h HIS 41 CO -0.92 -0.49 0.00 -2.13 -3.07 0.00 0.00 177.93 171.33 3cf5 n ARG 42 N -5.45 -0.04 0.00 5.12 3.00 -0.01 0.99 116.66 120.26 3cf5 n ARG 42 Ca -0.09 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.60 3cf5 n ARG 42 Cb 0.36 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.49 3cf5 n ARG 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3cf5 n VAL 43 N -4.70 0.00 -0.32 5.15 0.31 -0.74 -0.29 118.33 117.74 3cf5 n VAL 43 Ca 0.13 1.20 0.06 0.00 -0.01 0.00 0.00 64.34 65.72 3cf5 n VAL 43 Cb 0.42 -1.97 0.13 0.00 -0.91 0.00 0.00 33.84 31.51 3cf5 n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3cf5 n ARG 44 N -1.44 -0.08 0.00 5.55 1.74 0.28 -0.72 116.66 121.99 3cf5 n ARG 44 Ca 0.00 1.39 0.00 0.00 -0.77 0.00 0.00 57.85 58.47 3cf5 n ARG 44 Cb 0.00 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 3cf5 n ARG 44 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3cf5 n GLN 45 N -5.44 0.00 -0.16 5.56 7.27 -0.36 0.14 117.38 124.39 3cf5 n GLN 45 Ca 0.15 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.84 3cf5 n GLN 45 Cb 0.46 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.64 3cf5 n GLN 45 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3cf5 n LEU 46 N -2.24 -0.24 0.35 1.69 4.77 0.60 0.85 117.00 122.79 3cf5 n LEU 46 Ca 0.00 0.71 -0.14 0.00 -0.03 0.00 0.00 56.01 56.55 3cf5 n LEU 46 Cb 0.00 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3cf5 n LEU 46 CO 0.00 -0.65 0.46 0.03 -1.33 0.00 0.00 177.39 175.91 3cf5 h ARG 47 N 0.00 -0.87 -0.86 3.23 3.08 -0.14 -2.76 114.38 116.06 3cf5 h ARG 47 Ca 0.15 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.39 3cf5 h ARG 47 Cb 0.25 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.36 3cf5 h ARG 47 CO -0.41 -0.58 -0.42 -0.09 -1.07 0.00 0.00 179.97 177.40 3cf5 h ARG 48 N -1.01 -0.07 -1.15 0.04 2.43 0.77 1.31 114.38 116.72 3cf5 h ARG 48 Ca -0.09 0.00 0.36 0.00 -0.81 0.00 0.00 59.98 59.44 3cf5 h ARG 48 Cb 0.70 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.14 3cf5 h ARG 48 CO 0.15 -0.04 0.72 0.93 -1.51 0.00 0.00 179.97 180.22 3cf5 h GLU 49 N -0.07 0.23 -0.39 0.20 5.08 -0.60 0.24 114.58 119.27 3cf5 h GLU 49 Ca 0.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3cf5 h GLU 49 Cb 0.56 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3cf5 h GLU 49 CO -0.88 0.15 0.12 0.28 -1.00 0.00 0.00 179.01 177.68 3cf5 h VAL 50 N 0.23 1.21 0.04 3.13 2.07 0.20 -1.52 116.25 121.61 3cf5 h VAL 50 Ca 0.73 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3cf5 h VAL 50 Cb 2.03 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 3cf5 h VAL 50 CO -0.44 0.25 -0.21 0.00 0.02 0.00 0.00 177.57 177.18 3cf5 h ALA 51 N 0.97 -0.72 -0.49 1.67 0.00 -0.25 -1.43 119.26 119.00 3cf5 h ALA 51 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3cf5 h ALA 51 Cb 0.26 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3cf5 h ALA 51 CO -0.00 -0.78 -0.39 1.96 0.00 0.00 0.00 179.25 180.04 3cf5 h GLN 52 N -0.30 -0.12 -0.48 0.00 4.20 -1.55 2.16 115.11 119.03 3cf5 h GLN 52 Ca -0.00 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.84 3cf5 h GLN 52 Cb 0.30 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 3cf5 h GLN 52 CO -0.12 -0.08 -0.03 1.28 -0.67 0.00 0.00 178.83 179.20 3cf5 n LEU 53 N -4.51 -0.09 -0.09 1.46 4.77 -0.57 0.62 117.00 118.57 3cf5 n LEU 53 Ca -0.00 0.81 -0.20 0.00 -0.03 0.00 0.00 56.01 56.59 3cf5 n LEU 53 Cb 0.20 -0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3cf5 n LEU 53 CO -0.06 -0.81 -0.26 0.78 -1.33 0.00 0.00 177.39 175.72 3cf5 h ASN 54 N 0.00 0.02 -0.85 -1.43 2.35 0.16 -3.18 115.58 112.65 3cf5 h ASN 54 Ca 0.27 -0.67 0.21 0.00 -0.55 0.00 0.00 56.30 55.56 3cf5 h ASN 54 Cb 0.51 -0.01 -0.15 0.00 0.05 0.00 0.00 38.32 38.72 3cf5 h ASN 54 CO -0.46 1.36 0.02 0.74 -1.65 0.00 0.00 177.43 177.44 3cf5 h THR 55 N -0.95 0.23 0.00 2.81 2.02 0.77 -2.17 112.91 115.60 3cf5 h THR 55 Ca -0.25 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3cf5 h THR 55 Cb 1.25 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3cf5 h THR 55 CO -0.14 0.02 0.00 0.52 0.37 0.00 0.00 175.52 176.29 3cf5 n VAL 56 N -5.39 0.00 -0.11 3.16 0.31 0.20 -3.20 118.33 113.30 3cf5 n VAL 56 Ca 0.17 1.21 0.07 0.00 -0.01 0.00 0.00 64.34 65.79 3cf5 n VAL 56 Cb 0.58 -2.21 0.13 0.00 -0.91 0.00 0.00 33.84 31.43 3cf5 n VAL 56 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3cf5 n LYS 57 N -1.15 -0.02 -0.08 5.55 4.81 -0.95 0.46 118.16 126.77 3cf5 n LYS 57 Ca 0.00 0.49 0.02 0.00 -0.87 0.00 0.00 58.31 57.96 3cf5 n LYS 57 Cb 0.00 -0.82 0.07 0.00 0.02 0.00 0.00 35.03 34.30 3cf5 n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf5 n ALA 58 N -3.25 2.49 -0.06 3.14 0.00 -0.86 -2.82 120.51 119.14 3cf5 n ALA 58 Ca 0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 3cf5 n ALA 58 Cb 0.32 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 3cf5 n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cf5 n GLU 59 N -0.05 0.67 0.03 0.00 1.02 1.66 -3.87 120.64 120.11 3cf5 n GLU 59 Ca 0.05 0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3cf5 n GLU 59 Cb 0.14 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 3cf5 n GLU 59 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3cf5 h LEU 60 N 0.01 0.56 -0.72 -4.62 3.38 -1.49 -2.88 115.31 109.55 3cf5 h LEU 60 Ca -0.45 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.27 3cf5 h LEU 60 Cb 2.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 3cf5 h LEU 60 CO 0.04 1.05 0.89 0.00 0.09 0.00 0.00 178.44 180.51 3cf5 h ALA 61 N 0.95 2.10 0.00 1.53 0.00 -1.63 1.01 119.26 123.22 3cf5 h ALA 61 Ca -0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3cf5 h ALA 61 Cb 1.18 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3cf5 h ALA 61 CO 0.11 -1.02 -1.87 0.54 0.00 0.00 0.00 179.25 177.01 3cf5 n ARG 62 N -2.81 1.89 -2.81 0.00 1.74 -1.10 -4.74 116.66 108.83 3cf5 n ARG 62 Ca 0.05 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 3cf5 n ARG 62 Cb 0.98 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 3cf5 n ARG 62 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3cf5 s LYS 63 N -2.31 4.48 0.00 5.56 -0.14 0.35 -0.41 119.74 127.27 3cf5 s LYS 63 Ca -0.07 1.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.78 3cf5 s LYS 63 Cb 0.04 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3cf5 s LYS 63 CO 0.52 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.42 3cf5 n GLY 64 N 3.04 0.57 0.00 -3.33 0.00 -1.26 -4.74 105.19 99.47 3cf5 n GLY 64 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3cf5 n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cf5 n GLU 65 N -0.35 0.00 -0.98 1.61 2.13 -1.26 -5.11 120.64 116.68 3cf5 n GLU 65 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3cf5 n GLU 65 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.90 3cf5 n GLU 65 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76