#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufz n SER 2 N 0.00 0.00 -4.34 1.61 2.88 -1.26 -4.75 113.62 107.76 1ufz n SER 2 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1ufz n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1ufz n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ufz s SER 3 N 0.00 1.96 0.00 -3.46 0.15 -1.26 -5.03 113.70 106.06 1ufz s SER 3 Ca 0.00 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1ufz s SER 3 Cb 0.00 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1ufz s SER 3 CO 0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1ufz n GLY 4 N -0.44 -1.77 2.81 9.45 0.00 -1.26 -5.07 105.19 108.91 1ufz n GLY 4 Ca -0.05 0.60 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 1ufz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufz s SER 5 N -2.60 1.02 -0.29 1.61 1.04 -1.26 -5.08 113.70 108.14 1ufz s SER 5 Ca 0.00 -1.08 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 1ufz s SER 5 Cb 0.00 0.72 0.19 0.00 0.10 0.00 0.00 66.02 67.03 1ufz s SER 5 CO 0.00 -0.31 0.88 -0.94 0.98 0.00 0.00 173.24 173.85 1ufz s SER 6 N 1.93 -0.86 1.28 7.02 1.04 -1.26 -5.05 113.70 117.81 1ufz s SER 6 Ca 0.13 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.50 1ufz s SER 6 Cb -0.14 1.55 0.33 0.00 0.10 0.00 0.00 66.02 67.86 1ufz s SER 6 CO -0.17 -0.16 0.98 -0.83 0.98 0.00 0.00 173.24 174.04 1ufz s GLY 7 N 2.91 1.49 -0.14 7.32 0.00 -1.26 -4.93 107.32 112.71 1ufz s GLY 7 Ca 0.21 -0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.46 1ufz s GLY 7 CO -0.24 0.47 -0.01 -2.09 0.00 0.00 0.00 173.10 171.23 1ufz h GLU 8 N -3.01 0.00 0.00 2.90 4.81 -2.02 -3.36 114.58 113.90 1ufz h GLU 8 Ca -0.57 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.40 1ufz h GLU 8 Cb 1.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 1ufz h GLU 8 CO 0.43 0.19 -1.49 0.98 -0.73 0.00 0.00 179.01 178.39 1ufz n TYR 9 N -4.65 0.75 -0.05 0.92 4.19 -1.26 -4.19 117.16 112.87 1ufz n TYR 9 Ca -0.08 0.32 -0.12 0.00 3.31 0.00 0.00 57.90 61.33 1ufz n TYR 9 Cb 0.25 -1.03 -0.08 0.00 0.49 0.00 0.00 39.34 38.96 1ufz n TYR 9 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1ufz h GLY 10 N -1.00 -1.16 -0.94 2.98 0.00 -1.99 -1.29 103.07 99.67 1ufz h GLY 10 Ca -0.39 0.70 0.17 0.00 0.00 0.00 0.00 47.33 47.81 1ufz h GLY 10 CO -0.24 -0.24 -0.30 2.98 0.00 0.00 0.00 176.54 178.74 1ufz n TYR 11 N -4.98 0.18 0.05 5.60 4.19 -1.26 0.05 117.16 120.99 1ufz n TYR 11 Ca -0.04 1.15 -0.13 0.00 3.31 0.00 0.00 57.90 62.19 1ufz n TYR 11 Cb 0.31 -0.94 -0.07 0.00 0.49 0.00 0.00 39.34 39.13 1ufz n TYR 11 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1ufz h GLU 12 N 0.00 -0.53 -0.40 2.98 4.57 -1.42 -0.42 114.58 119.35 1ufz h GLU 12 Ca 0.39 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.69 1ufz h GLU 12 Cb 0.62 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.24 1ufz h GLU 12 CO -0.95 -0.36 -0.26 -0.44 -1.18 0.00 0.00 179.01 175.82 1ufz h ASP 13 N -0.55 -0.88 -0.71 1.04 5.19 0.26 0.96 116.42 121.72 1ufz h ASP 13 Ca 0.05 0.17 0.15 0.00 -0.62 0.00 0.00 57.03 56.79 1ufz h ASP 13 Cb 0.64 0.44 -0.13 0.00 0.18 0.00 0.00 39.33 40.46 1ufz h ASP 13 CO -0.32 -0.28 -0.07 -0.07 -3.12 0.00 0.00 179.24 175.38 1ufz h LEU 14 N -0.19 -0.46 -3.25 1.55 4.07 -0.12 -3.46 115.31 113.44 1ufz h LEU 14 Ca 0.19 0.20 -0.06 0.00 0.08 0.00 0.00 57.88 58.28 1ufz h LEU 14 Cb 0.49 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1ufz h LEU 14 CO -0.51 -0.19 -1.03 -1.14 -1.08 0.00 0.00 178.44 174.49 1ufz n ARG 15 N -5.39 -0.91 -3.80 1.13 0.63 0.33 -5.01 116.66 103.64 1ufz n ARG 15 Ca 0.11 1.11 -0.08 0.00 -0.92 0.00 0.00 57.85 58.08 1ufz n ARG 15 Cb 0.41 -1.71 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ufz s GLU 16 N -1.34 1.72 -0.48 -0.14 2.02 -1.26 -5.12 118.70 114.10 1ufz s GLU 16 Ca 0.07 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1ufz s GLU 16 Cb -0.01 0.61 0.20 0.00 0.10 0.00 0.00 34.13 35.03 1ufz s GLU 16 CO 0.24 -0.78 0.82 0.43 0.02 0.00 0.00 175.26 175.98 1ufz n SER 17 N -0.45 -3.04 -0.08 -0.19 7.64 -1.26 -4.76 113.62 111.47 1ufz n SER 17 Ca -0.06 -2.61 -0.10 0.00 1.01 0.00 0.00 58.87 57.11 1ufz n SER 17 Cb 0.60 1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 65.33 1ufz n SER 17 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ufz n SER 18 N 2.73 1.83 -4.78 6.43 2.88 -1.26 -4.68 113.62 116.76 1ufz n SER 18 Ca 0.16 0.56 -0.29 0.00 -1.33 0.00 0.00 58.87 57.97 1ufz n SER 18 Cb 0.58 -0.90 0.13 0.00 -0.75 0.00 0.00 64.21 63.28 1ufz n SER 18 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ufz s ASN 19 N -6.09 3.57 -0.00 -3.46 2.47 -1.26 -4.89 114.94 105.27 1ufz s ASN 19 Ca -0.20 1.01 -0.24 0.00 0.42 0.00 0.00 52.86 53.86 1ufz s ASN 19 Cb 0.03 -1.60 -0.15 0.00 -1.45 0.00 0.00 41.25 38.08 1ufz s ASN 19 CO 0.34 -2.52 1.08 -1.28 -3.72 0.00 0.00 177.10 171.00 1ufz h SER 20 N -1.47 -0.44 -0.48 -4.21 0.87 -1.98 -1.86 113.55 103.97 1ufz h SER 20 Ca -0.50 -0.13 0.05 0.00 -1.23 0.00 0.00 61.79 59.97 1ufz h SER 20 Cb 1.33 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.32 1ufz h SER 20 CO 0.62 -0.03 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.36 1ufz h LEU 21 N -0.93 -1.55 -0.45 2.23 3.38 -1.98 1.44 115.31 117.45 1ufz h LEU 21 Ca -0.05 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ufz h LEU 21 Cb 0.54 0.65 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 1ufz h LEU 21 CO 0.09 -0.27 -0.36 0.25 0.09 0.00 0.00 178.44 178.24 1ufz h LEU 22 N -0.21 -1.21 -0.02 1.67 5.85 -1.95 0.89 115.31 120.32 1ufz h LEU 22 Ca 0.08 0.21 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1ufz h LEU 22 Cb 0.42 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1ufz h LEU 22 CO -0.56 -0.33 -0.33 -1.13 -0.34 0.00 0.00 178.44 175.75 1ufz h ASN 23 N -0.25 -1.00 -0.76 1.25 -0.73 -0.06 -1.76 115.58 112.27 1ufz h ASN 23 Ca 0.18 0.13 0.13 0.00 1.87 0.00 0.00 56.30 58.60 1ufz h ASN 23 Cb 0.56 0.40 -0.13 0.00 0.27 0.00 0.00 38.32 39.42 1ufz h ASN 23 CO -0.59 -0.39 -0.36 -0.74 -0.37 0.00 0.00 177.43 174.99 1ufz h HIS 24 N -0.47 -1.00 -0.95 0.67 2.76 0.35 0.23 115.15 116.73 1ufz h HIS 24 Ca 0.07 0.09 0.16 0.00 -2.20 0.00 0.00 60.37 58.48 1ufz h HIS 24 Cb 0.57 0.55 -0.16 0.00 1.55 0.00 0.00 27.41 29.92 1ufz h HIS 24 CO -0.36 -0.39 -0.34 0.94 -1.30 0.00 0.00 177.93 176.48 1ufz n GLN 25 N -5.45 -0.19 -1.64 5.26 -0.06 0.15 -4.91 117.38 110.53 1ufz n GLN 25 Ca 0.07 1.47 0.00 0.00 -2.00 0.00 0.00 57.00 56.54 1ufz n GLN 25 Cb 0.37 -2.19 0.00 0.00 -4.06 0.00 0.00 30.24 24.37 1ufz n GLN 25 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ufz n LEU 26 N -5.44 -5.15 -4.44 1.69 4.77 0.81 -4.83 117.00 104.41 1ufz n LEU 26 Ca 0.11 2.94 -0.39 0.00 -0.03 0.00 0.00 56.01 58.64 1ufz n LEU 26 Cb 0.41 -2.75 0.03 0.00 -2.33 0.00 0.00 43.42 38.77 1ufz n LEU 26 CO -0.13 -0.35 -0.02 -1.54 -1.33 0.00 0.00 177.39 174.02 1ufz n SER 27 N 0.12 -1.31 0.18 -1.43 3.41 -1.26 -4.50 113.62 108.83 1ufz n SER 27 Ca 0.00 0.77 0.18 0.00 -0.26 0.00 0.00 58.87 59.57 1ufz n SER 27 Cb 0.00 -1.12 0.79 0.00 -0.26 0.00 0.00 64.21 63.62 1ufz n SER 27 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ufz h GLU 28 N 0.37 0.00 0.07 4.33 4.81 -1.99 0.21 114.58 122.39 1ufz h GLU 28 Ca -0.44 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ufz h GLU 28 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1ufz h GLU 28 CO 0.48 0.00 -0.03 0.82 -0.73 0.00 0.00 179.01 179.54 1ufz h ILE 29 N 0.00 0.00 -0.94 2.32 2.04 -1.99 -2.61 117.51 116.33 1ufz h ILE 29 Ca 0.12 -0.20 0.23 0.00 1.00 0.00 0.00 64.86 66.02 1ufz h ILE 29 Cb 0.84 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 1ufz h ILE 29 CO -0.00 0.00 0.47 0.44 0.00 0.00 0.00 178.15 179.05 1ufz h ASP 30 N -0.29 0.45 0.29 1.72 3.32 -1.76 -0.71 116.42 119.44 1ufz h ASP 30 Ca -0.01 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ufz h ASP 30 Cb 0.07 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1ufz h ASP 30 CO 0.02 0.02 -0.46 1.56 -1.72 0.00 0.00 179.24 178.66 1ufz h GLN 31 N 0.45 -0.76 -0.94 3.56 4.20 -0.70 1.20 115.11 122.13 1ufz h GLN 31 Ca 0.60 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.61 1ufz h GLN 31 Cb 1.14 0.17 -0.17 0.00 0.30 0.00 0.00 27.48 28.92 1ufz h GLN 31 CO -0.52 -0.51 0.04 0.00 -0.67 0.00 0.00 178.83 177.18 1ufz h ALA 32 N -0.85 1.12 0.07 3.87 0.00 -0.74 0.89 119.26 123.62 1ufz h ALA 32 Ca -0.03 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ufz h ALA 32 Cb 0.73 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ufz h ALA 32 CO -0.15 -0.54 -0.03 0.00 0.00 0.00 0.00 179.25 178.53 1ufz h ARG 33 N 0.04 -0.09 -0.33 0.00 3.08 -0.81 -0.22 114.38 116.05 1ufz h ARG 33 Ca 0.57 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.69 1ufz h ARG 33 Cb 1.14 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 1ufz h ARG 33 CO -0.86 0.32 -0.28 1.25 -1.07 0.00 0.00 179.97 179.33 1ufz h LEU 34 N -0.51 -0.91 -0.43 3.04 7.12 0.55 0.27 115.31 124.44 1ufz h LEU 34 Ca -0.01 0.17 0.02 0.00 0.13 0.00 0.00 57.88 58.18 1ufz h LEU 34 Cb 0.44 0.43 -0.03 0.00 -0.53 0.00 0.00 40.66 40.98 1ufz h LEU 34 CO 0.01 -0.30 0.26 1.88 -0.13 0.00 0.00 178.44 180.17 1ufz h TYR 35 N -0.24 0.50 0.00 1.25 0.05 0.56 1.53 116.97 120.62 1ufz h TYR 35 Ca 0.16 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1ufz h TYR 35 Cb 0.50 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1ufz h TYR 35 CO -0.47 0.29 -0.00 0.77 -1.05 0.00 0.00 178.16 177.71 1ufz h SER 36 N 0.53 0.00 0.01 3.88 0.02 0.40 0.21 113.55 118.60 1ufz h SER 36 Ca 0.17 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.78 1ufz h SER 36 Cb -0.01 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 1ufz h SER 36 CO -0.07 0.00 -1.86 0.00 -1.14 0.00 0.00 176.83 173.76 1ufz h LEU 38 N -0.89 -0.87 -0.89 0.00 6.46 0.26 -2.32 115.31 117.06 1ufz h LEU 38 Ca -0.50 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.45 1ufz h LEU 38 Cb 1.50 0.31 -0.13 0.00 -0.73 0.00 0.00 40.66 41.61 1ufz h LEU 38 CO -0.27 -0.36 -0.42 -0.67 -0.62 0.00 0.00 178.44 176.11 1ufz n ASP 39 N -4.18 -0.72 0.00 1.25 -0.08 0.68 0.20 116.55 113.70 1ufz n ASP 39 Ca -0.06 1.56 0.00 0.00 -1.51 0.00 0.00 54.79 54.78 1ufz n ASP 39 Cb 0.25 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1ufz n HIS 40 N -5.23 0.00 0.21 -0.67 -0.00 -0.92 0.39 115.22 109.00 1ufz n HIS 40 Ca 0.06 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.38 1ufz n HIS 40 Cb 0.30 -0.36 0.76 0.00 -0.12 0.00 0.00 29.99 30.57 1ufz n HIS 40 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1ufz h MET 41 N 0.00 0.00 0.00 1.57 4.05 -0.62 0.14 114.93 120.06 1ufz h MET 41 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ufz h MET 41 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1ufz h MET 41 CO 0.00 0.00 -0.02 -0.09 0.23 0.00 0.00 176.91 177.03 1ufz h ARG 42 N 0.00 0.00 0.00 0.39 2.43 0.73 0.19 114.38 118.12 1ufz h ARG 42 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ufz h ARG 42 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ufz h ARG 42 CO -0.00 0.02 -0.93 -1.91 -1.51 0.00 0.00 179.97 175.64 1ufz n GLU 43 N -3.47 0.24 0.00 0.20 0.00 0.47 -2.76 120.64 115.32 1ufz n GLU 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 1ufz n GLU 43 Cb 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 29.98 1ufz n GLU 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ufz n VAL 44 N -1.89 0.00 -0.06 6.31 0.31 0.44 -4.67 118.33 118.77 1ufz n VAL 44 Ca 0.03 0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 64.54 1ufz n VAL 44 Cb 0.42 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 32.05 1ufz n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ufz n LEU 45 N -1.84 1.33 -0.61 7.52 4.32 0.10 -4.19 117.00 123.63 1ufz n LEU 45 Ca 0.00 0.17 0.46 0.00 -0.02 0.00 0.00 56.01 56.62 1ufz n LEU 45 Cb 0.00 -0.17 0.71 0.00 -1.62 0.00 0.00 43.42 42.34 1ufz n LEU 45 CO 0.00 0.60 1.29 0.61 -1.22 0.00 0.00 177.39 178.67 1ufz n GLY 46 N 1.81 -0.86 0.37 -0.72 0.00 -0.51 0.15 105.19 105.44 1ufz n GLY 46 Ca -0.29 0.61 0.02 0.00 0.00 0.00 0.00 46.02 46.36 1ufz n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ufz h ASP 47 N 0.00 -1.22 0.00 1.61 3.58 -1.68 -3.07 116.42 115.64 1ufz h ASP 47 Ca 0.82 0.31 -0.19 0.00 0.42 0.00 0.00 57.03 58.39 1ufz h ASP 47 Cb 3.27 0.70 -0.03 0.00 1.72 0.00 0.00 39.33 44.98 1ufz h ASP 47 CO -0.04 -0.31 -1.72 0.00 -2.88 0.00 0.00 179.24 174.30 1ufz n ALA 48 N -3.53 1.73 -1.77 -0.78 0.00 0.12 -5.00 120.51 111.27 1ufz n ALA 48 Ca 0.13 -0.58 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 1ufz n ALA 48 Cb 0.44 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1ufz n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ufz s VAL 49 N -2.25 3.38 0.00 0.00 1.01 0.50 -5.04 120.40 117.99 1ufz s VAL 49 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1ufz s VAL 49 Cb 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1ufz s VAL 49 CO 0.32 0.05 0.00 -0.81 0.00 0.00 0.00 175.10 174.66 1ufz n PRO 50 N -0.05 0.46 -0.09 2.72 -0.04 -1.26 -3.96 135.00 132.77 1ufz n PRO 50 Ca 0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1ufz n PRO 50 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ufz n ASP 51 N -1.08 1.86 -0.24 3.54 5.75 -1.26 -3.98 116.55 121.13 1ufz n ASP 51 Ca 0.00 0.50 -0.06 0.00 -0.01 0.00 0.00 54.79 55.21 1ufz n ASP 51 Cb 0.00 -0.89 -0.06 0.00 -1.03 0.00 0.00 41.12 39.15 1ufz n ASP 51 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ufz n ASP 52 N -4.50 -0.61 -0.32 -1.12 9.92 -1.26 0.19 116.55 118.86 1ufz n ASP 52 Ca -0.22 1.42 -0.08 0.00 -0.53 0.00 0.00 54.79 55.38 1ufz n ASP 52 Cb 0.51 -0.33 -0.08 0.00 -0.64 0.00 0.00 41.12 40.58 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ufz n ILE 53 N -4.29 -0.52 0.02 0.53 5.41 -1.26 0.19 119.36 119.44 1ufz n ILE 53 Ca 0.01 2.16 -0.10 0.00 1.00 0.00 0.00 62.75 65.82 1ufz n ILE 53 Cb 0.15 -2.70 -0.04 0.00 -0.71 0.00 0.00 39.64 36.34 1ufz n ILE 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ufz h LEU 54 N 0.00 -0.63 -0.08 1.39 3.38 -0.94 -1.30 115.31 117.13 1ufz h LEU 54 Ca 0.12 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1ufz h LEU 54 Cb 0.31 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1ufz h LEU 54 CO -0.72 -0.26 -0.53 0.74 0.09 0.00 0.00 178.44 177.76 1ufz h THR 55 N -0.29 0.01 -0.81 0.22 2.02 0.58 -0.79 112.91 113.86 1ufz h THR 55 Ca 0.08 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.45 1ufz h THR 55 Cb 0.41 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 66.69 1ufz h THR 55 CO -0.25 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.26 1ufz h GLU 56 N -0.61 0.06 -0.57 6.66 3.07 0.24 0.53 114.58 123.95 1ufz h GLU 56 Ca 0.03 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.00 1ufz h GLU 56 Cb 0.70 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.50 1ufz h GLU 56 CO -0.40 0.04 -0.02 0.00 -1.40 0.00 0.00 179.01 177.22 1ufz h ALA 57 N 1.78 0.52 0.10 3.43 0.00 0.00 1.61 119.26 126.71 1ufz h ALA 57 Ca 0.43 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.55 1ufz h ALA 57 Cb 0.76 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1ufz h ALA 57 CO -0.76 -0.40 -0.34 0.82 0.00 0.00 0.00 179.25 178.57 1ufz h ILE 58 N 0.10 0.28 0.00 0.00 2.04 0.83 0.32 117.51 121.07 1ufz h ILE 58 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 1ufz h ILE 58 Cb 0.46 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1ufz h ILE 58 CO -0.50 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.83 1ufz n LEU 59 N -5.43 0.57 0.26 1.44 7.99 -0.36 0.42 117.00 121.90 1ufz n LEU 59 Ca -0.06 0.66 0.16 0.00 -0.01 0.00 0.00 56.01 56.76 1ufz n LEU 59 Cb 0.34 -0.62 0.57 0.00 -0.11 0.00 0.00 43.42 43.60 1ufz n LEU 59 CO 0.21 -0.61 0.95 0.50 -1.51 0.00 0.00 177.39 176.93 1ufz h LYS 60 N 0.00 0.00 -0.26 3.23 1.63 0.63 -3.17 116.57 118.63 1ufz h LYS 60 Ca 0.00 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1ufz h LYS 60 Cb 0.27 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.51 1ufz h LYS 60 CO 0.00 0.00 -1.08 0.72 -3.45 0.00 0.00 179.45 175.64 1ufz n HIS 61 N -3.07 0.76 -3.80 1.91 8.25 -0.32 -5.01 115.22 113.93 1ufz n HIS 61 Ca 0.01 -1.47 -0.28 0.00 -0.26 0.00 0.00 57.72 55.72 1ufz n HIS 61 Cb 0.35 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1ufz n HIS 61 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ufz n LYS 62 N -0.16 -1.21 -2.81 -0.41 0.00 -0.50 -3.48 118.16 109.58 1ufz n LYS 62 Ca 0.07 0.56 -0.00 0.00 0.00 0.00 0.00 58.31 58.94 1ufz n LYS 62 Cb 0.94 -2.11 -0.00 0.00 0.00 0.00 0.00 35.03 33.86 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ufz n PHE 63 N -3.00 -3.23 -2.82 5.64 3.01 0.17 -4.98 117.46 112.25 1ufz n PHE 63 Ca -0.27 1.45 -0.11 0.00 1.01 0.00 0.00 57.45 59.53 1ufz n PHE 63 Cb 0.63 -3.42 0.05 0.00 -0.01 0.00 0.00 39.48 36.73 1ufz n PHE 63 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ufz n ASP 64 N 0.87 -2.08 -0.38 4.37 2.03 -1.23 -5.01 116.55 115.13 1ufz n ASP 64 Ca -0.01 -3.38 -0.03 0.00 0.52 0.00 0.00 54.79 51.88 1ufz n ASP 64 Cb 0.12 1.43 0.01 0.00 -0.72 0.00 0.00 41.12 41.95 1ufz n ASP 64 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ufz n VAL 65 N 1.01 -0.55 -0.35 5.18 0.31 -1.26 0.16 118.33 122.83 1ufz n VAL 65 Ca 0.10 2.29 0.07 0.00 -0.01 0.00 0.00 64.34 66.79 1ufz n VAL 65 Cb 0.65 -2.97 0.16 0.00 -0.91 0.00 0.00 33.84 30.77 1ufz n VAL 65 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ufz h GLN 66 N 0.00 0.00 0.10 5.55 4.20 -1.98 1.61 115.11 124.59 1ufz h GLN 66 Ca 0.29 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ufz h GLN 66 Cb 0.53 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1ufz h GLN 66 CO -0.95 0.00 -0.05 -0.22 -0.67 0.00 0.00 178.83 176.95 1ufz h LYS 67 N 0.00 -0.13 -1.53 1.46 3.11 0.41 -2.51 116.57 117.38 1ufz h LYS 67 Ca 0.49 0.01 0.49 0.00 -2.81 0.00 0.00 60.65 58.82 1ufz h LYS 67 Cb 0.79 0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 31.93 1ufz h LYS 67 CO -0.99 0.05 1.03 0.00 -2.81 0.00 0.00 179.45 176.74 1ufz h ALA 68 N -0.86 3.12 0.09 5.00 0.00 0.25 1.14 119.26 128.01 1ufz h ALA 68 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ufz h ALA 68 Cb 0.24 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ufz h ALA 68 CO 0.02 -1.74 -0.04 -0.07 0.00 0.00 0.00 179.25 177.41 1ufz h LEU 69 N 0.03 -0.11 -2.00 0.00 3.38 0.23 1.44 115.31 118.28 1ufz h LEU 69 Ca 0.87 -0.48 0.29 0.00 0.09 0.00 0.00 57.88 58.64 1ufz h LEU 69 Cb 3.00 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 43.74 1ufz h LEU 69 CO -0.30 0.50 0.72 -1.28 0.09 0.00 0.00 178.44 178.17 1ufz h SER 70 N -0.78 0.00 0.00 -0.43 0.87 0.17 1.50 113.55 114.87 1ufz h SER 70 Ca -0.01 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.28 1ufz h SER 70 Cb 0.58 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 1ufz h SER 70 CO 0.02 0.00 -1.49 0.52 -0.53 0.00 0.00 176.83 175.35 1ufz n VAL 71 N -4.22 1.53 -0.34 2.23 0.31 0.20 -3.88 118.33 114.15 1ufz n VAL 71 Ca 0.21 -0.09 0.10 0.00 -0.01 0.00 0.00 64.34 64.55 1ufz n VAL 71 Cb 1.06 -2.03 0.27 0.00 -0.91 0.00 0.00 33.84 32.23 1ufz n VAL 71 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ufz h VAL 72 N -1.00 0.77 0.00 2.52 2.07 0.31 -0.99 116.25 119.94 1ufz h VAL 72 Ca -0.40 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ufz h VAL 72 Cb 1.32 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ufz h VAL 72 CO -0.24 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.67 1ufz n LEU 73 N -4.75 0.00 -0.19 2.57 4.77 0.50 -0.03 117.00 119.86 1ufz n LEU 73 Ca 0.20 0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 57.05 1ufz n LEU 73 Cb 0.47 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1ufz n LEU 73 CO 0.23 -0.46 0.49 -0.33 -1.33 0.00 0.00 177.39 175.99 1ufz h GLU 74 N 0.00 -0.18 -0.84 3.23 4.39 -1.57 0.11 114.58 119.72 1ufz h GLU 74 Ca 0.00 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.79 1ufz h GLU 74 Cb 0.00 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.58 1ufz h GLU 74 CO 0.00 -0.12 -0.58 0.37 -1.16 0.00 0.00 179.01 177.52 1ufz h GLN 75 N -0.19 -0.10 -0.92 2.33 4.15 -1.10 0.92 115.11 120.21 1ufz h GLN 75 Ca 0.08 0.01 0.25 0.00 0.77 0.00 0.00 58.65 59.76 1ufz h GLN 75 Cb 0.40 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 27.98 1ufz h GLN 75 CO -0.57 -0.07 0.40 0.22 -1.93 0.00 0.00 178.83 176.88 1ufz h ASP 76 N -0.10 0.29 -0.90 -0.69 3.58 0.84 1.07 116.42 120.51 1ufz h ASP 76 Ca 0.14 0.18 0.26 0.00 0.42 0.00 0.00 57.03 58.02 1ufz h ASP 76 Cb 0.45 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 1ufz h ASP 76 CO -0.84 -0.08 0.87 1.23 -2.88 0.00 0.00 179.24 177.54 1ufz h GLY 77 N 0.33 0.00 0.42 -0.78 0.00 0.28 0.47 103.07 103.79 1ufz h GLY 77 Ca 0.61 0.00 0.10 0.00 0.00 0.00 0.00 47.33 48.04 1ufz h GLY 77 CO -0.59 0.00 0.34 1.76 0.00 0.00 0.00 176.54 178.05 1ufz h SER 78 N 0.00 0.42 0.00 0.19 0.02 0.13 -2.97 113.55 111.34 1ufz h SER 78 Ca 0.43 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1ufz h SER 78 Cb 2.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.71 1ufz h SER 78 CO -0.00 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 1ufz n GLY 79 N -1.30 -2.75 2.92 -3.77 0.00 0.16 -3.16 105.19 97.30 1ufz n GLY 79 Ca 0.11 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1ufz n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufz n PRO 80 N -2.42 2.14 -1.60 1.61 -0.04 -1.12 -4.92 135.00 128.64 1ufz n PRO 80 Ca 0.00 -2.21 -0.58 0.00 -0.04 0.00 0.00 63.50 60.68 1ufz n PRO 80 Cb 0.00 -3.10 -0.07 0.00 -0.04 0.00 0.00 33.50 30.29 1ufz n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ufz n SER 81 N 6.84 1.16 -4.22 3.54 7.64 -1.19 -4.95 113.62 122.44 1ufz n SER 81 Ca 0.51 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 61.40 1ufz n SER 81 Cb 0.40 -1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 1ufz n SER 81 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ufz s SER 82 N 1.21 1.17 0.00 6.43 0.15 -1.26 -5.14 113.70 116.27 1ufz s SER 82 Ca 0.92 -1.13 0.04 0.00 0.70 0.00 0.00 55.95 56.48 1ufz s SER 82 Cb -1.16 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.30 1ufz s SER 82 CO 0.59 -0.55 0.62 0.61 1.20 0.00 0.00 173.24 175.71