#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 -4.56 1.61 7.64 -1.26 -4.47 113.62 112.59 1ufz n SER 2 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1ufz n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ufz n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ufz s SER 3 N -4.00 4.21 0.00 6.43 0.01 -1.26 -4.88 113.70 114.22 1ufz s SER 3 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1ufz s SER 3 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ufz s SER 3 CO 0.00 -3.50 0.00 0.61 0.41 0.00 0.00 173.24 170.76 1ufz n GLY 4 N 6.65 3.10 3.18 3.44 0.00 -1.26 -5.08 105.19 115.23 1ufz n GLY 4 Ca 0.43 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.78 5.67 -0.11 1.61 1.04 -1.26 -4.91 113.70 114.96 1ufz s SER 5 Ca 0.00 -2.40 -0.08 0.00 0.48 0.00 0.00 55.95 53.95 1ufz s SER 5 Cb 0.00 -1.97 -0.07 0.00 0.10 0.00 0.00 66.02 64.08 1ufz s SER 5 CO 0.00 -0.54 0.19 0.28 0.98 0.00 0.00 173.24 174.15 1ufz h SER 6 N 7.79 0.00 -2.13 7.02 0.02 -1.98 -3.44 113.55 120.82 1ufz h SER 6 Ca -0.08 -0.27 -0.44 0.00 -0.84 0.00 0.00 61.79 60.17 1ufz h SER 6 Cb 1.02 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.23 1ufz h SER 6 CO 0.77 0.66 -0.75 -0.83 -1.14 0.00 0.00 176.83 175.55 1ufz s GLY 7 N -3.78 0.27 0.35 -3.77 0.00 -1.26 -4.97 107.32 94.16 1ufz s GLY 7 Ca -0.06 -1.32 0.15 0.00 0.00 0.00 0.00 44.72 43.49 1ufz s GLY 7 CO 0.20 2.54 1.72 1.05 0.00 0.00 0.00 173.10 178.61 1ufz h GLU 8 N 6.90 0.00 0.01 2.90 9.09 -1.98 -3.12 114.58 128.38 1ufz h GLU 8 Ca 0.07 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.11 1ufz h GLU 8 Cb 1.02 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.07 1ufz h GLU 8 CO 0.22 0.44 -2.02 0.98 0.05 0.00 0.00 179.01 178.68 1ufz n TYR 9 N -3.72 0.47 -0.28 2.06 9.36 -1.26 -4.32 117.16 119.47 1ufz n TYR 9 Ca -0.01 0.18 -0.08 0.00 3.32 0.00 0.00 57.90 61.32 1ufz n TYR 9 Cb 0.51 -1.05 -0.07 0.00 -0.63 0.00 0.00 39.34 38.11 1ufz n TYR 9 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ufz h GLY 10 N -0.65 -1.40 -0.88 2.98 0.00 -1.95 0.21 103.07 101.38 1ufz h GLY 10 Ca -0.55 0.90 0.17 0.00 0.00 0.00 0.00 47.33 47.86 1ufz h GLY 10 CO -0.29 -0.28 -0.29 -0.97 0.00 0.00 0.00 176.54 174.71 1ufz h TYR 11 N -0.02 -0.72 0.63 5.60 -1.99 -1.78 0.49 116.97 119.18 1ufz h TYR 11 Ca 0.11 0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 1ufz h TYR 11 Cb 0.30 0.46 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 1ufz h TYR 11 CO -0.98 -0.40 -0.48 1.49 -0.00 0.00 0.00 178.16 177.79 1ufz h GLU 12 N -0.01 -1.03 -0.49 4.88 4.81 -0.72 0.28 114.58 122.30 1ufz h GLU 12 Ca 0.40 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 1ufz h GLU 12 Cb 0.65 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.16 1ufz h GLU 12 CO -0.95 -0.69 -0.35 -0.44 -0.73 0.00 0.00 179.01 175.85 1ufz h ASP 13 N -1.07 -1.18 -0.32 1.04 3.32 0.95 0.55 116.42 119.70 1ufz h ASP 13 Ca -0.08 0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1ufz h ASP 13 Cb 0.89 0.56 -0.08 0.00 0.22 0.00 0.00 39.33 40.92 1ufz h ASP 13 CO 0.02 -0.32 -0.21 0.25 -1.72 0.00 0.00 179.24 177.27 1ufz h LEU 14 N -0.23 -0.69 -7.00 1.55 6.46 0.13 -3.45 115.31 112.09 1ufz h LEU 14 Ca 0.19 0.14 0.11 0.00 -0.12 0.00 0.00 57.88 58.21 1ufz h LEU 14 Cb 0.55 0.35 -0.19 0.00 -0.73 0.00 0.00 40.66 40.64 1ufz h LEU 14 CO -0.61 -0.24 0.56 -0.60 -0.62 0.00 0.00 178.44 176.93 1ufz s ARG 15 N -6.12 0.65 -0.19 1.25 6.06 0.95 -5.09 118.95 116.45 1ufz s ARG 15 Ca -0.14 -0.06 -0.17 0.00 -2.50 0.00 0.00 55.73 52.86 1ufz s ARG 15 Cb 0.13 0.30 -0.07 0.00 0.06 0.00 0.00 34.95 35.38 1ufz s ARG 15 CO 0.69 -0.25 -0.33 0.39 -2.50 0.00 0.00 175.30 173.30 1ufz n GLU 16 N 0.25 0.53 -2.55 5.12 -0.58 -1.23 -3.49 120.64 118.69 1ufz n GLU 16 Ca -0.08 0.25 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 1ufz n GLU 16 Cb 0.59 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.97 1ufz n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ufz s SER 17 N -6.17 7.23 -0.13 1.62 1.04 -1.26 -4.96 113.70 111.07 1ufz s SER 17 Ca -0.29 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 57.95 1ufz s SER 17 Cb 0.06 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1ufz s SER 17 CO 0.43 -0.34 -0.10 0.28 0.98 0.00 0.00 173.24 174.48 1ufz h SER 18 N 6.54 0.00 -0.55 7.02 0.02 -2.01 -3.48 113.55 121.09 1ufz h SER 18 Ca -0.42 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.62 1ufz h SER 18 Cb 1.22 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.56 1ufz h SER 18 CO 0.77 0.70 -0.18 0.20 -1.14 0.00 0.00 176.83 177.18 1ufz s ASN 19 N -5.72 -0.89 -0.16 3.07 0.01 -1.26 -5.06 114.94 104.94 1ufz s ASN 19 Ca -0.11 -0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 51.89 1ufz s ASN 19 Cb 0.01 1.45 -0.08 0.00 0.41 0.00 0.00 41.25 43.04 1ufz s ASN 19 CO 0.17 -0.15 -0.06 -0.24 -1.51 0.00 0.00 177.10 175.31 1ufz n SER 20 N 4.93 1.83 0.12 -1.22 2.88 -1.26 -3.66 113.62 117.23 1ufz n SER 20 Ca 0.08 0.57 -0.14 0.00 -1.33 0.00 0.00 58.87 58.05 1ufz n SER 20 Cb 0.57 -0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 63.05 1ufz n SER 20 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ufz h LEU 21 N -1.00 -1.31 -0.36 2.46 6.46 -1.99 0.72 115.31 120.30 1ufz h LEU 21 Ca -0.12 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1ufz h LEU 21 Cb 0.77 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 1ufz h LEU 21 CO -0.07 -0.48 -0.22 0.25 -0.62 0.00 0.00 178.44 177.30 1ufz h LEU 22 N -0.67 -0.80 -0.86 2.25 5.85 -1.99 0.31 115.31 119.41 1ufz h LEU 22 Ca -0.01 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.97 1ufz h LEU 22 Cb 0.65 0.35 -0.15 0.00 0.37 0.00 0.00 40.66 41.89 1ufz h LEU 22 CO -0.21 -0.09 -0.36 -1.13 -0.34 0.00 0.00 178.44 176.31 1ufz h ASN 23 N -0.01 -1.32 -0.75 1.25 -1.24 -1.56 0.31 115.58 112.26 1ufz h ASN 23 Ca 0.06 0.28 0.10 0.00 0.71 0.00 0.00 56.30 57.45 1ufz h ASN 23 Cb 0.16 0.69 -0.12 0.00 0.73 0.00 0.00 38.32 39.78 1ufz h ASN 23 CO -0.34 -0.29 -0.46 -0.74 -1.29 0.00 0.00 177.43 174.30 1ufz h HIS 24 N -0.05 -1.38 -0.86 0.67 2.76 0.20 0.61 115.15 117.10 1ufz h HIS 24 Ca 0.31 0.10 0.22 0.00 -2.20 0.00 0.00 60.37 58.80 1ufz h HIS 24 Cb 0.59 0.71 -0.14 0.00 1.55 0.00 0.00 27.41 30.11 1ufz h HIS 24 CO -0.79 -0.41 0.19 0.37 -1.30 0.00 0.00 177.93 175.99 1ufz h GLN 25 N -0.14 0.18 -3.68 5.26 4.15 0.13 -3.47 115.11 117.54 1ufz h GLN 25 Ca 0.21 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1ufz h GLN 25 Cb 0.54 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ufz h GLN 25 CO -0.80 0.12 -0.87 1.28 -1.93 0.00 0.00 178.83 176.63 1ufz n LEU 26 N -5.25 -4.59 -4.48 -2.39 4.77 0.21 -4.82 117.00 100.46 1ufz n LEU 26 Ca 0.20 2.97 -0.40 0.00 -0.03 0.00 0.00 56.01 58.75 1ufz n LEU 26 Cb 0.64 -2.80 0.02 0.00 -2.33 0.00 0.00 43.42 38.95 1ufz n LEU 26 CO 0.06 -0.20 0.11 -1.20 -1.33 0.00 0.00 177.39 174.83 1ufz n SER 27 N -0.08 -0.77 -0.16 -1.43 7.64 -1.26 -4.47 113.62 113.09 1ufz n SER 27 Ca 0.00 0.82 -0.06 0.00 1.01 0.00 0.00 58.87 60.64 1ufz n SER 27 Cb 0.00 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1ufz n SER 27 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ufz h GLU 28 N 0.56 -0.20 0.03 1.43 4.81 -1.99 0.46 114.58 119.68 1ufz h GLU 28 Ca -0.44 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1ufz h GLU 28 Cb 1.39 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1ufz h GLU 28 CO 0.49 -0.13 -0.07 0.82 -0.73 0.00 0.00 179.01 179.39 1ufz h ILE 29 N -0.21 0.00 -0.93 2.32 2.04 -2.00 -0.25 117.51 118.49 1ufz h ILE 29 Ca 0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 1ufz h ILE 29 Cb 0.54 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.49 1ufz h ILE 29 CO -0.60 0.00 -0.50 0.44 0.00 0.00 0.00 178.15 177.48 1ufz h ASP 30 N -0.11 -1.84 -0.86 1.72 5.19 -1.79 0.14 116.42 118.88 1ufz h ASP 30 Ca -0.00 0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.80 1ufz h ASP 30 Cb 0.11 0.85 -0.11 0.00 0.18 0.00 0.00 39.33 40.36 1ufz h ASP 30 CO -0.03 -0.27 -0.58 1.56 -3.12 0.00 0.00 179.24 176.80 1ufz h GLN 31 N -0.04 -0.09 -0.65 3.56 4.20 0.28 0.59 115.11 122.96 1ufz h GLN 31 Ca 0.22 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1ufz h GLN 31 Cb 0.50 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 1ufz h GLN 31 CO -0.91 -0.06 -0.39 0.00 -0.67 0.00 0.00 178.83 176.79 1ufz h ALA 32 N 0.37 -0.38 -0.55 3.87 0.00 0.11 0.96 119.26 123.64 1ufz h ALA 32 Ca 0.14 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1ufz h ALA 32 Cb 0.46 1.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1ufz h ALA 32 CO -0.86 -0.66 0.12 0.00 0.00 0.00 0.00 179.25 177.86 1ufz h ARG 33 N -0.01 0.25 0.24 0.00 3.08 -0.56 0.78 114.38 118.16 1ufz h ARG 33 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ufz h ARG 33 Cb 0.28 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1ufz h ARG 33 CO -0.62 0.17 -0.52 1.25 -1.07 0.00 0.00 179.97 179.18 1ufz h LEU 34 N 0.26 -1.51 -1.57 3.04 7.12 0.45 0.16 115.31 123.25 1ufz h LEU 34 Ca 0.28 0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.45 1ufz h LEU 34 Cb 0.39 0.54 -0.02 0.00 -0.53 0.00 0.00 40.66 41.04 1ufz h LEU 34 CO -0.36 -0.59 0.31 1.88 -0.13 0.00 0.00 178.44 179.55 1ufz h TYR 35 N -0.83 0.54 0.00 1.25 0.05 0.13 0.14 116.97 118.25 1ufz h TYR 35 Ca -0.02 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1ufz h TYR 35 Cb 0.80 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 1ufz h TYR 35 CO -0.39 0.33 -0.07 1.03 -1.05 0.00 0.00 178.16 178.01 1ufz h SER 36 N 0.58 0.00 0.53 3.88 0.87 0.18 0.84 113.55 120.43 1ufz h SER 36 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1ufz h SER 36 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1ufz h SER 36 CO -0.04 0.07 -1.35 0.00 -0.53 0.00 0.00 176.83 174.98 1ufz h LEU 38 N 0.00 0.00 -0.98 0.00 5.85 0.67 -3.19 115.31 117.66 1ufz h LEU 38 Ca 0.00 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.76 1ufz h LEU 38 Cb 0.94 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.82 1ufz h LEU 38 CO 0.00 0.75 -0.42 -0.67 -0.34 0.00 0.00 178.44 177.76 1ufz n ASP 39 N -4.66 -0.70 0.00 1.25 -0.08 0.28 0.19 116.55 112.82 1ufz n ASP 39 Ca -0.07 1.72 0.00 0.00 -1.51 0.00 0.00 54.79 54.93 1ufz n ASP 39 Cb 0.22 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.32 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 -5.41 0.00 0.23 -0.67 -0.00 -1.25 -0.91 115.22 107.20 1ufz n HIS 40 Ca 0.09 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.42 1ufz n HIS 40 Cb 0.37 -0.48 0.63 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.23 1.57 1.85 -1.18 0.97 114.93 118.37 1ufz h MET 41 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ufz h MET 41 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1ufz h MET 41 CO 0.00 0.00 -0.11 -0.09 -0.40 0.00 0.00 176.91 176.31 1ufz h ARG 42 N 0.00 -0.30 0.00 0.39 2.43 0.39 0.12 114.38 117.41 1ufz h ARG 42 Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ufz h ARG 42 Cb 1.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1ufz h ARG 42 CO -0.00 0.05 0.18 1.49 -1.51 0.00 0.00 179.97 180.18 1ufz h GLU 43 N -0.69 0.00 0.00 0.20 4.57 0.48 2.18 114.58 121.32 1ufz h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ufz h GLU 43 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ufz h GLU 43 CO 0.05 0.00 0.00 0.28 -1.18 0.00 0.00 179.01 178.16 1ufz n VAL 44 N -2.46 0.00 -0.03 0.32 0.31 -1.00 -4.65 118.33 110.83 1ufz n VAL 44 Ca -0.02 0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.43 1ufz n VAL 44 Cb 0.22 -1.08 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 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 -1.74 1.97 -0.57 7.52 4.32 0.37 -4.13 117.00 124.74 1ufz n LEU 45 Ca 0.00 0.21 0.43 0.00 -0.02 0.00 0.00 56.01 56.63 1ufz n LEU 45 Cb 0.00 -0.59 0.67 0.00 -1.62 0.00 0.00 43.42 41.88 1ufz n LEU 45 CO 0.00 0.70 1.22 0.61 -1.22 0.00 0.00 177.39 178.70 1ufz n GLY 46 N 1.88 -0.82 0.39 -0.72 0.00 0.72 0.03 105.19 106.68 1ufz n GLY 46 Ca -0.29 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 1ufz n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ufz n ASP 47 N -3.75 -0.78 -0.06 1.61 2.03 -0.30 -3.23 116.55 112.06 1ufz n ASP 47 Ca 0.37 1.73 -0.08 0.00 0.52 0.00 0.00 54.79 57.33 1ufz n ASP 47 Cb 1.64 -0.33 -0.06 0.00 -0.72 0.00 0.00 41.12 41.64 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ufz n ALA 48 N -3.40 1.73 -1.77 -1.67 0.00 0.95 -5.00 120.51 111.35 1ufz n ALA 48 Ca 0.07 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 1ufz n ALA 48 Cb 0.35 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 3.13 0.00 0.00 1.01 0.11 -5.04 120.40 117.35 1ufz s VAL 49 Ca -0.14 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1ufz s VAL 49 Cb 0.04 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1ufz s VAL 49 CO 0.32 0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.73 1ufz n PRO 50 N 0.21 0.49 -0.10 2.72 -0.04 -1.26 -3.88 135.00 133.13 1ufz n PRO 50 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 1ufz n PRO 50 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.03 1.92 -0.16 3.54 5.75 -1.26 -4.04 116.55 121.28 1ufz n ASP 51 Ca 0.00 0.36 -0.08 0.00 -0.01 0.00 0.00 54.79 55.06 1ufz n ASP 51 Cb 0.00 -0.90 -0.06 0.00 -1.03 0.00 0.00 41.12 39.12 1ufz n ASP 51 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ufz h ASP 52 N -0.82 -1.22 -0.97 -1.12 3.32 -1.97 1.51 116.42 115.15 1ufz h ASP 52 Ca -0.44 0.17 0.11 0.00 0.02 0.00 0.00 57.03 56.90 1ufz h ASP 52 Cb 1.49 0.52 -0.13 0.00 0.22 0.00 0.00 39.33 41.42 1ufz h ASP 52 CO -0.21 -0.21 -0.49 -0.38 -1.72 0.00 0.00 179.24 176.23 1ufz n ILE 53 N -4.36 -0.60 0.28 0.35 5.41 -1.26 0.18 119.36 119.37 1ufz n ILE 53 Ca -0.01 2.32 -0.16 0.00 1.00 0.00 0.00 62.75 65.90 1ufz n ILE 53 Cb 0.19 -2.95 -0.08 0.00 -0.71 0.00 0.00 39.64 36.09 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 -0.85 -0.46 1.39 3.38 -1.09 -0.44 115.31 117.23 1ufz h LEU 54 Ca 0.23 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1ufz h LEU 54 Cb 0.48 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1ufz h LEU 54 CO -0.93 -0.51 -0.37 0.74 0.09 0.00 0.00 178.44 177.45 1ufz h THR 55 N -0.79 0.16 -0.78 0.22 2.02 0.53 0.20 112.91 114.46 1ufz h THR 55 Ca -0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.27 1ufz h THR 55 Cb 0.66 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 1ufz h THR 55 CO 0.03 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.94 1ufz h GLU 56 N -0.26 0.49 -0.75 6.66 5.08 0.21 0.17 114.58 126.19 1ufz h GLU 56 Ca 0.17 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1ufz h GLU 56 Cb 0.56 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1ufz h GLU 56 CO -0.60 0.32 0.41 0.00 -1.00 0.00 0.00 179.01 178.15 1ufz h ALA 57 N 1.55 1.04 0.51 3.43 0.00 0.11 0.55 119.26 126.45 1ufz h ALA 57 Ca 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1ufz h ALA 57 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ufz h ALA 57 CO -0.39 0.05 -0.32 0.82 0.00 0.00 0.00 179.25 179.41 1ufz h ILE 58 N 0.72 0.34 0.00 0.00 2.04 0.85 0.14 117.51 121.60 1ufz h ILE 58 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1ufz h ILE 58 Cb 0.30 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ufz h ILE 58 CO -0.23 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.10 1ufz n LEU 59 N -5.46 0.54 0.15 1.44 7.99 -0.60 -0.19 117.00 120.86 1ufz n LEU 59 Ca -0.12 0.70 0.13 0.00 -0.01 0.00 0.00 56.01 56.72 1ufz n LEU 59 Cb 0.35 -0.71 0.40 0.00 -0.11 0.00 0.00 43.42 43.35 1ufz n LEU 59 CO 0.34 -0.76 0.88 0.50 -1.51 0.00 0.00 177.39 176.83 1ufz h LYS 60 N 0.00 0.00 -0.02 3.23 1.63 0.22 -3.23 116.57 118.40 1ufz h LYS 60 Ca 0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 1ufz h LYS 60 Cb 0.13 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 31.39 1ufz h LYS 60 CO 0.00 0.00 -1.02 0.72 -3.45 0.00 0.00 179.45 175.70 1ufz n HIS 61 N -2.51 0.05 -3.88 1.91 8.25 0.73 -5.02 115.22 114.75 1ufz n HIS 61 Ca 0.04 -0.60 -0.32 0.00 -0.26 0.00 0.00 57.72 56.58 1ufz n HIS 61 Cb 0.40 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 0.40 -1.05 -2.82 -0.41 0.00 0.13 -3.44 118.16 110.97 1ufz n LYS 62 Ca 0.07 0.48 -0.00 0.00 0.00 0.00 0.00 58.31 58.85 1ufz n LYS 62 Cb 1.12 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.94 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 -3.44 -3.19 -2.87 5.64 3.01 0.26 -4.98 117.46 111.89 1ufz n PHE 63 Ca -0.24 1.41 -0.02 0.00 1.01 0.00 0.00 57.45 59.61 1ufz n PHE 63 Cb 0.63 -3.40 0.01 0.00 -0.01 0.00 0.00 39.48 36.71 1ufz n PHE 63 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ufz s ASP 64 N -1.51 -1.24 0.11 4.37 1.11 -1.22 -5.03 116.67 113.26 1ufz s ASP 64 Ca 0.00 -1.18 -0.27 0.00 0.18 0.00 0.00 52.55 51.29 1ufz s ASP 64 Cb -0.00 1.61 -0.09 0.00 1.07 0.00 0.00 42.92 45.51 1ufz s ASP 64 CO 0.62 -0.08 1.65 0.58 1.18 0.00 0.00 175.17 179.12 1ufz h VAL 65 N 4.56 0.47 -1.55 -1.27 2.07 -1.92 1.64 116.25 120.24 1ufz h VAL 65 Ca 0.04 0.00 0.51 0.00 0.82 0.00 0.00 66.70 68.07 1ufz h VAL 65 Cb 1.15 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 31.26 1ufz h VAL 65 CO 0.01 0.00 1.04 0.00 0.02 0.00 0.00 177.57 178.64 1ufz n GLN 66 N -5.36 -0.03 -0.11 1.57 6.02 -1.26 0.22 117.38 118.44 1ufz n GLN 66 Ca -0.07 1.21 -0.21 0.00 -0.01 0.00 0.00 57.00 57.93 1ufz n GLN 66 Cb 0.27 -2.49 -0.09 0.00 1.02 0.00 0.00 30.24 28.95 1ufz n GLN 66 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ufz n LYS 67 N -4.51 0.55 -0.33 -1.09 0.00 -0.23 -3.10 118.16 109.45 1ufz n LYS 67 Ca 0.42 0.45 0.25 0.00 0.00 0.00 0.00 58.31 59.43 1ufz n LYS 67 Cb 1.70 -1.64 0.54 0.00 0.00 0.00 0.00 35.03 35.64 1ufz n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ufz h ALA 68 N -0.76 2.36 0.06 3.14 0.00 0.50 0.43 119.26 124.98 1ufz h ALA 68 Ca -0.37 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ufz h ALA 68 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ufz h ALA 68 CO -0.23 -0.78 -0.03 -0.07 0.00 0.00 0.00 179.25 178.15 1ufz h LEU 69 N 0.33 -0.06 -2.00 0.00 3.38 0.26 1.53 115.31 118.74 1ufz h LEU 69 Ca 0.61 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1ufz h LEU 69 Cb 1.67 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1ufz h LEU 69 CO -0.28 0.56 0.45 -1.28 0.09 0.00 0.00 178.44 177.99 1ufz h SER 70 N -0.74 0.00 0.00 -0.43 0.87 -0.63 1.17 113.55 113.78 1ufz h SER 70 Ca -0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 1ufz h SER 70 Cb 0.61 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 1ufz h SER 70 CO 0.01 0.00 -1.53 0.52 -0.53 0.00 0.00 176.83 175.30 1ufz n VAL 71 N -4.10 1.53 -0.27 2.23 0.31 0.12 -3.18 118.33 114.98 1ufz n VAL 71 Ca 0.10 -0.10 0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1ufz n VAL 71 Cb 0.68 -2.02 0.38 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.82 0.50 2.52 2.07 0.30 1.45 116.25 122.91 1ufz h VAL 72 Ca -0.42 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1ufz h VAL 72 Cb 1.36 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ufz h VAL 72 CO -0.25 0.13 -0.24 -0.07 0.02 0.00 0.00 177.57 177.15 1ufz h LEU 73 N 0.69 -0.57 -0.07 2.57 3.38 0.12 -2.60 115.31 118.82 1ufz h LEU 73 Ca 0.45 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.37 1ufz h LEU 73 Cb 0.74 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1ufz h LEU 73 CO -0.21 -0.19 -0.04 -0.08 0.09 0.00 0.00 178.44 178.01 1ufz h GLU 74 N -1.01 -0.03 -1.20 1.13 4.81 -1.29 -1.35 114.58 115.64 1ufz h GLU 74 Ca -0.07 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 59.51 1ufz h GLU 74 Cb 0.60 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 1ufz h GLU 74 CO 0.11 -0.02 0.80 0.37 -0.73 0.00 0.00 179.01 179.55 1ufz h GLN 75 N -0.03 0.19 -1.00 1.92 4.15 0.19 1.70 115.11 122.23 1ufz h GLN 75 Ca 0.04 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1ufz h GLN 75 Cb 0.09 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 1ufz h GLN 75 CO -0.09 0.12 0.65 0.22 -1.93 0.00 0.00 178.83 177.80 1ufz h ASP 76 N 0.19 1.02 0.11 -0.69 1.82 -0.83 -0.79 116.42 117.25 1ufz h ASP 76 Ca 0.67 0.01 -0.37 0.00 -0.39 0.00 0.00 57.03 56.96 1ufz h ASP 76 Cb 2.11 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 41.88 1ufz h ASP 76 CO -0.25 0.64 -2.14 0.61 -1.61 0.00 0.00 179.24 176.49 1ufz n GLY 77 N -1.36 -0.53 0.32 -0.78 0.00 0.41 -4.19 105.19 99.06 1ufz n GLY 77 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1ufz n GLY 77 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ufz h SER 78 N 0.04 -1.09 -0.13 1.61 0.87 0.21 -2.97 113.55 112.10 1ufz h SER 78 Ca -0.47 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1ufz h SER 78 Cb 2.00 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 64.36 1ufz h SER 78 CO 0.03 -0.36 -0.07 0.61 -0.53 0.00 0.00 176.83 176.51 1ufz n GLY 79 N -1.31 -3.04 2.61 5.77 0.00 -0.32 -1.62 105.19 107.28 1ufz n GLY 79 Ca -0.05 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.27 2.59 -3.15 1.61 -0.04 -1.13 -4.63 135.00 126.98 1ufz n PRO 80 Ca 0.00 -1.90 0.04 0.00 -0.04 0.00 0.00 63.50 61.61 1ufz n PRO 80 Cb 0.03 -2.74 -0.01 0.00 -0.04 0.00 0.00 33.50 30.74 1ufz n PRO 80 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ufz s SER 81 N 3.25 -1.16 0.15 3.54 0.01 -0.64 -4.91 113.70 113.94 1ufz s SER 81 Ca 0.52 0.67 0.04 0.00 1.31 0.00 0.00 55.95 58.50 1ufz s SER 81 Cb 0.14 1.95 -0.04 0.00 0.21 0.00 0.00 66.02 68.28 1ufz s SER 81 CO -0.03 -0.22 0.17 -0.55 0.41 0.00 0.00 173.24 173.03 1ufz s SER 82 N 2.88 5.75 0.00 2.44 0.15 -1.26 -4.96 113.70 118.71 1ufz s SER 82 Ca 0.15 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1ufz s SER 82 Cb -0.13 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1ufz s SER 82 CO -0.19 0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.94