#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 -6.97 -4.83 1.61 7.64 -1.26 -4.89 113.62 104.91 1ufz n SER 2 Ca 0.00 1.35 -0.30 0.00 1.01 0.00 0.00 58.87 60.93 1ufz n SER 2 Cb 0.00 -4.37 0.06 0.00 -1.01 0.00 0.00 64.21 58.89 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 -6.58 5.18 -0.94 6.43 0.01 -1.26 -5.00 113.70 111.54 1ufz s SER 3 Ca 0.00 1.38 -0.02 0.00 1.31 0.00 0.00 55.95 58.62 1ufz s SER 3 Cb 0.00 -2.21 0.26 0.00 0.21 0.00 0.00 66.02 64.27 1ufz s SER 3 CO 0.00 -1.54 1.00 0.61 0.41 0.00 0.00 173.24 173.72 1ufz n GLY 4 N -2.33 4.49 3.39 3.44 0.00 -1.26 -4.94 105.19 107.98 1ufz n GLY 4 Ca 0.07 -2.64 0.02 0.00 0.00 0.00 0.00 46.02 43.47 1ufz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufz s SER 5 N -0.63 -0.59 -0.27 1.61 0.15 -1.26 -5.14 113.70 107.57 1ufz s SER 5 Ca 0.31 0.79 -0.00 0.00 0.70 0.00 0.00 55.95 57.74 1ufz s SER 5 Cb -0.02 1.66 0.15 0.00 -1.71 0.00 0.00 66.02 66.11 1ufz s SER 5 CO -0.05 -0.11 0.43 -0.94 1.20 0.00 0.00 173.24 173.77 1ufz s SER 6 N 2.48 -0.06 -1.19 5.45 1.04 -1.26 -5.06 113.70 115.09 1ufz s SER 6 Ca -0.02 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1ufz s SER 6 Cb -0.06 1.32 0.22 0.00 0.10 0.00 0.00 66.02 67.60 1ufz s SER 6 CO -0.17 -0.31 1.94 0.61 0.98 0.00 0.00 173.24 176.29 1ufz n GLY 7 N 5.37 5.31 0.43 7.32 0.00 -1.26 -4.76 105.19 117.61 1ufz n GLY 7 Ca -0.01 -2.31 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 1ufz n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ufz h GLU 8 N 4.97 -1.02 -0.23 1.61 5.08 -2.01 -2.94 114.58 120.03 1ufz h GLU 8 Ca 0.48 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.97 1ufz h GLU 8 Cb 0.45 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1ufz h GLU 8 CO 1.42 -0.67 -0.16 1.88 -1.00 0.00 0.00 179.01 180.48 1ufz h TYR 9 N -1.21 -0.39 -0.81 4.33 -1.99 -2.01 -2.70 116.97 112.18 1ufz h TYR 9 Ca -0.11 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.72 1ufz h TYR 9 Cb 0.83 0.21 -0.10 0.00 2.00 0.00 0.00 36.73 39.67 1ufz h TYR 9 CO -0.00 -0.23 -0.48 0.41 -0.00 0.00 0.00 178.16 177.86 1ufz n GLY 10 N -1.32 -2.52 0.33 3.88 0.00 -1.21 0.01 105.19 104.36 1ufz n GLY 10 Ca -0.01 1.04 -0.00 0.00 0.00 0.00 0.00 46.02 47.05 1ufz n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ufz h TYR 11 N 0.00 -0.71 -0.96 1.61 3.20 -1.29 -0.05 116.97 118.76 1ufz h TYR 11 Ca 0.13 0.08 0.11 0.00 3.14 0.00 0.00 58.73 62.19 1ufz h TYR 11 Cb 0.33 0.43 -0.13 0.00 1.54 0.00 0.00 36.73 38.91 1ufz h TYR 11 CO -0.96 -0.37 -0.52 1.49 -1.64 0.00 0.00 178.16 176.16 1ufz h GLU 12 N -0.05 -0.03 -0.76 1.82 4.81 -0.33 0.62 114.58 120.66 1ufz h GLU 12 Ca 0.33 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.71 1ufz h GLU 12 Cb 0.58 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.83 1ufz h GLU 12 CO -0.82 -0.02 -0.27 -0.44 -0.73 0.00 0.00 179.01 176.73 1ufz h ASP 13 N -0.03 -0.97 -0.06 1.04 3.32 -0.75 0.30 116.42 119.26 1ufz h ASP 13 Ca 0.22 0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.54 1ufz h ASP 13 Cb 0.48 0.56 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1ufz h ASP 13 CO -0.93 -0.28 -0.15 0.25 -1.72 0.00 0.00 179.24 176.41 1ufz h LEU 14 N -0.05 -0.45 -3.30 1.55 5.85 0.26 -3.47 115.31 115.69 1ufz h LEU 14 Ca 0.33 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1ufz h LEU 14 Cb 0.57 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1ufz h LEU 14 CO -0.80 -0.20 -0.93 -1.14 -0.34 0.00 0.00 178.44 175.03 1ufz n ARG 15 N -5.29 -0.31 -2.68 1.25 0.63 0.10 -4.97 116.66 105.40 1ufz n ARG 15 Ca -0.04 0.78 -0.05 0.00 -0.92 0.00 0.00 57.85 57.62 1ufz n ARG 15 Cb 0.21 -0.95 0.07 0.00 0.45 0.00 0.00 32.46 32.25 1ufz n ARG 15 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ufz n GLU 16 N 1.35 0.20 -3.22 -0.14 2.13 -1.26 -5.06 120.64 114.65 1ufz n GLU 16 Ca 0.00 -0.82 -0.04 0.00 0.66 0.00 0.00 57.16 56.96 1ufz n GLU 16 Cb 0.46 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1ufz n GLU 16 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ufz n SER 17 N 1.50 -6.47 0.00 4.31 7.64 -1.26 -4.82 113.62 114.52 1ufz n SER 17 Ca 0.02 0.35 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1ufz n SER 17 Cb 0.70 -1.62 -0.10 0.00 -1.01 0.00 0.00 64.21 62.18 1ufz n SER 17 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ufz h SER 18 N 3.43 -1.70 0.00 6.43 0.87 -1.98 -3.47 113.55 117.14 1ufz h SER 18 Ca -0.06 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1ufz h SER 18 Cb 1.03 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1ufz h SER 18 CO 0.02 -0.48 0.00 -3.20 -0.53 0.00 0.00 176.83 172.64 1ufz n ASN 19 N -5.38 0.00 -0.08 6.23 5.15 -1.26 -4.99 115.26 114.92 1ufz n ASN 19 Ca -0.06 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.81 1ufz n ASN 19 Cb 0.38 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 1ufz n ASN 19 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ufz h SER 20 N 0.00 -1.33 -0.55 1.20 0.02 -2.00 -1.41 113.55 109.48 1ufz h SER 20 Ca 0.00 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1ufz h SER 20 Cb 0.00 0.57 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 1ufz h SER 20 CO 0.00 -0.38 -0.38 -0.07 -1.14 0.00 0.00 176.83 174.86 1ufz h LEU 21 N -0.38 -1.37 -0.80 5.07 3.38 -1.99 0.90 115.31 120.13 1ufz h LEU 21 Ca 0.12 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.37 1ufz h LEU 21 Cb 0.59 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 1ufz h LEU 21 CO -0.50 -0.18 -0.57 0.25 0.09 0.00 0.00 178.44 177.53 1ufz h LEU 22 N -0.07 -2.03 -0.96 1.67 5.85 -1.75 0.72 115.31 118.74 1ufz h LEU 22 Ca 0.09 0.30 0.18 0.00 0.84 0.00 0.00 57.88 59.29 1ufz h LEU 22 Cb 0.30 0.88 -0.18 0.00 0.37 0.00 0.00 40.66 42.04 1ufz h LEU 22 CO -0.56 -0.29 -0.27 -1.13 -0.34 0.00 0.00 178.44 175.85 1ufz h ASN 23 N -0.14 -1.01 0.50 1.25 -1.24 0.14 0.34 115.58 115.42 1ufz h ASN 23 Ca 0.14 0.29 -0.02 0.00 0.71 0.00 0.00 56.30 57.42 1ufz h ASN 23 Cb 0.48 0.63 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1ufz h ASN 23 CO -0.82 -0.31 -0.24 -0.74 -1.29 0.00 0.00 177.43 174.02 1ufz h HIS 24 N -0.00 -0.62 -1.04 0.67 2.76 0.17 -2.66 115.15 114.43 1ufz h HIS 24 Ca 0.44 -0.01 0.38 0.00 -2.20 0.00 0.00 60.37 58.97 1ufz h HIS 24 Cb 0.68 0.21 -0.16 0.00 1.55 0.00 0.00 27.41 29.69 1ufz h HIS 24 CO -0.77 -0.33 0.59 1.96 -1.30 0.00 0.00 177.93 178.08 1ufz h GLN 25 N -0.81 0.14 -3.67 5.26 1.08 0.37 -3.47 115.11 114.01 1ufz h GLN 25 Ca -0.07 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ufz h GLN 25 Cb 0.58 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1ufz h GLN 25 CO 0.11 0.09 -0.95 1.28 -0.95 0.00 0.00 178.83 178.42 1ufz n LEU 26 N -5.10 -1.65 -4.83 1.46 4.77 0.79 -4.88 117.00 107.56 1ufz n LEU 26 Ca 0.35 2.80 -0.36 0.00 -0.03 0.00 0.00 56.01 58.78 1ufz n LEU 26 Cb 1.18 -3.07 -0.06 0.00 -2.33 0.00 0.00 43.42 39.14 1ufz n LEU 26 CO 0.07 -0.80 0.35 -0.44 -1.33 0.00 0.00 177.39 175.25 1ufz s SER 27 N -5.33 6.97 0.17 -1.43 0.01 -1.26 -4.77 113.70 108.05 1ufz s SER 27 Ca 0.00 1.29 -0.28 0.00 1.31 0.00 0.00 55.95 58.28 1ufz s SER 27 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 1ufz s SER 27 CO 0.00 0.05 1.49 1.21 0.41 0.00 0.00 173.24 176.41 1ufz n GLU 28 N 0.73 -0.39 -0.37 12.44 2.13 -1.26 0.17 120.64 134.09 1ufz n GLU 28 Ca -0.03 1.47 -0.03 0.00 0.66 0.00 0.00 57.16 59.22 1ufz n GLU 28 Cb 0.51 -2.16 0.01 0.00 0.27 0.00 0.00 31.44 30.07 1ufz n GLU 28 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ufz h ILE 29 N 0.00 0.01 0.49 6.31 5.03 -2.00 0.38 117.51 127.74 1ufz h ILE 29 Ca 0.19 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.90 1ufz h ILE 29 Cb 0.43 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 1ufz h ILE 29 CO -0.92 0.00 -0.24 0.44 -0.68 0.00 0.00 178.15 176.75 1ufz h ASP 30 N -0.02 -0.56 -1.87 1.72 3.32 -0.49 -2.68 116.42 115.83 1ufz h ASP 30 Ca 0.30 -0.07 0.54 0.00 0.02 0.00 0.00 57.03 57.82 1ufz h ASP 30 Cb 0.56 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.18 1ufz h ASP 30 CO -0.96 -0.20 1.35 1.67 -1.72 0.00 0.00 179.24 179.38 1ufz n GLN 31 N -5.26 -0.00 0.08 3.56 7.27 0.46 0.59 117.38 124.08 1ufz n GLN 31 Ca -0.11 1.02 -0.04 0.00 0.07 0.00 0.00 57.00 57.94 1ufz n GLN 31 Cb 0.31 -2.36 -0.02 0.00 2.41 0.00 0.00 30.24 30.59 1ufz n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ufz h ALA 32 N 0.93 -0.38 0.00 1.69 0.00 -0.00 -1.77 119.26 119.73 1ufz h ALA 32 Ca 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1ufz h ALA 32 Cb 3.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 21.46 1ufz h ALA 32 CO -0.01 -0.36 0.21 0.07 0.00 0.00 0.00 179.25 179.16 1ufz h ARG 33 N -0.68 0.00 0.19 0.00 0.11 0.17 0.41 114.38 114.57 1ufz h ARG 33 Ca -0.03 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.74 1ufz h ARG 33 Cb 0.20 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.30 1ufz h ARG 33 CO 0.04 0.00 -1.44 1.25 0.10 0.00 0.00 179.97 179.92 1ufz h LEU 34 N 0.00 0.63 0.00 0.08 5.85 0.16 -3.17 115.31 118.87 1ufz h LEU 34 Ca 0.00 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1ufz h LEU 34 Cb 0.42 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ufz h LEU 34 CO 0.00 1.57 0.00 -1.22 -0.34 0.00 0.00 178.44 178.45 1ufz n TYR 35 N -3.61 0.00 0.03 1.25 4.01 0.14 0.26 117.16 119.25 1ufz n TYR 35 Ca -0.15 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.68 1ufz n TYR 35 Cb 1.07 -0.45 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 1ufz n TYR 35 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ufz n SER 36 N -1.45 0.44 -0.08 7.72 2.88 -1.13 -3.41 113.62 118.59 1ufz n SER 36 Ca 0.02 0.17 -0.19 0.00 -1.33 0.00 0.00 58.87 57.54 1ufz n SER 36 Cb 0.07 1.10 -0.13 0.00 -0.75 0.00 0.00 64.21 64.51 1ufz n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ufz n LEU 38 N -3.33 0.09 -0.27 0.00 0.00 0.14 -1.28 117.00 112.36 1ufz n LEU 38 Ca -0.40 0.79 0.24 0.00 0.00 0.00 0.00 56.01 56.64 1ufz n LEU 38 Cb 1.02 -0.34 0.44 0.00 0.00 0.00 0.00 43.42 44.53 1ufz n LEU 38 CO 0.33 -0.34 0.83 -0.67 0.00 0.00 0.00 177.39 177.54 1ufz n ASP 39 N -1.53 0.21 0.00 1.96 2.03 -1.22 0.24 116.55 118.24 1ufz n ASP 39 Ca 0.00 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.69 1ufz n ASP 39 Cb 0.00 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ufz n HIS 40 N -4.92 0.00 -0.05 -0.67 -0.00 -1.11 -0.04 115.22 108.42 1ufz n HIS 40 Ca 0.29 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.54 1ufz n HIS 40 Cb 0.98 -0.45 0.44 0.00 -0.12 0.00 0.00 29.99 30.84 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 0.52 0.73 1.57 4.05 0.83 -2.64 114.93 120.00 1ufz h MET 41 Ca 0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1ufz h MET 41 Cb 0.00 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1ufz h MET 41 CO 0.00 0.34 -0.45 -0.09 0.23 0.00 0.00 176.91 176.94 1ufz h ARG 42 N 0.53 -1.08 0.00 0.39 2.43 0.32 1.14 114.38 118.12 1ufz h ARG 42 Ca 0.21 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1ufz h ARG 42 Cb 0.18 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ufz h ARG 42 CO -0.06 -0.72 0.23 1.49 -1.51 0.00 0.00 179.97 179.41 1ufz h GLU 43 N -1.12 0.00 0.00 0.20 4.22 -0.12 2.07 114.58 119.84 1ufz h GLU 43 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1ufz h GLU 43 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ufz h GLU 43 CO 0.09 0.00 0.00 0.28 -2.18 0.00 0.00 179.01 177.20 1ufz n VAL 44 N -2.63 0.00 0.02 0.32 0.31 -0.32 -4.60 118.33 111.44 1ufz n VAL 44 Ca -0.02 0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 64.36 1ufz n VAL 44 Cb 0.27 -1.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.01 1ufz n VAL 44 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ufz h LEU 45 N 0.00 0.47 -1.54 7.52 4.07 0.14 -3.35 115.31 122.62 1ufz h LEU 45 Ca 0.00 -0.95 0.46 0.00 0.08 0.00 0.00 57.88 57.47 1ufz h LEU 45 Cb 0.00 -0.15 -0.08 0.00 1.08 0.00 0.00 40.66 41.51 1ufz h LEU 45 CO 0.00 1.84 1.08 0.61 -1.08 0.00 0.00 178.44 180.90 1ufz n GLY 46 N 1.96 -0.80 0.33 0.83 0.00 0.68 0.19 105.19 108.38 1ufz n GLY 46 Ca -0.30 0.60 0.17 0.00 0.00 0.00 0.00 46.02 46.49 1ufz n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ufz h ASP 47 N 0.00 0.44 0.00 1.61 3.32 -1.13 -3.24 116.42 117.41 1ufz h ASP 47 Ca 0.78 0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.85 1ufz h ASP 47 Cb 2.99 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 42.63 1ufz h ASP 47 CO -0.11 -0.02 -1.32 0.00 -1.72 0.00 0.00 179.24 176.07 1ufz n ALA 48 N -2.42 2.10 -1.45 3.45 0.00 0.51 -5.03 120.51 117.67 1ufz n ALA 48 Ca 0.26 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1ufz n ALA 48 Cb 0.76 0.27 0.06 0.00 0.00 0.00 0.00 19.45 20.54 1ufz n ALA 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ufz s VAL 49 N -2.30 3.68 0.00 0.00 -7.23 0.26 -5.05 120.40 109.75 1ufz s VAL 49 Ca -0.17 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1ufz s VAL 49 Cb 0.05 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1ufz s VAL 49 CO 0.22 -0.68 0.00 -0.81 -0.31 0.00 0.00 175.10 173.52 1ufz n PRO 50 N -3.16 -0.10 -0.10 4.82 -0.04 -1.26 -3.86 135.00 131.31 1ufz n PRO 50 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1ufz n PRO 50 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 -2.19 1.88 -0.23 3.54 5.75 -1.26 -4.08 116.55 119.95 1ufz n ASP 51 Ca 0.00 0.45 -0.07 0.00 -0.01 0.00 0.00 54.79 55.17 1ufz n ASP 51 Cb 0.00 -0.87 -0.06 0.00 -1.03 0.00 0.00 41.12 39.16 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 -1.00 -1.25 -0.91 -1.12 3.32 -1.97 1.21 116.42 114.70 1ufz h ASP 52 Ca -0.26 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.07 1ufz h ASP 52 Cb 1.08 0.55 -0.12 0.00 0.22 0.00 0.00 39.33 41.07 1ufz h ASP 52 CO -0.16 -0.14 -0.50 -0.38 -1.72 0.00 0.00 179.24 176.34 1ufz n ILE 53 N -4.30 -0.59 0.08 0.35 5.41 -1.26 0.60 119.36 119.64 1ufz n ILE 53 Ca 0.01 2.19 -0.12 0.00 1.00 0.00 0.00 62.75 65.83 1ufz n ILE 53 Cb 0.15 -2.74 -0.05 0.00 -0.71 0.00 0.00 39.64 36.29 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 -0.44 -0.41 1.39 3.38 -0.81 -2.35 115.31 116.08 1ufz h LEU 54 Ca 0.18 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1ufz h LEU 54 Cb 0.41 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1ufz h LEU 54 CO -0.86 -0.22 -0.54 0.74 0.09 0.00 0.00 178.44 177.65 1ufz h THR 55 N -0.28 0.00 -0.76 0.22 2.02 0.66 -0.84 112.91 113.93 1ufz h THR 55 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1ufz h THR 55 Cb 0.32 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.60 1ufz h THR 55 CO -0.12 0.00 -0.41 -0.33 0.37 0.00 0.00 175.52 175.04 1ufz h GLU 56 N -0.38 -0.11 -0.91 6.66 5.08 0.40 0.58 114.58 125.91 1ufz h GLU 56 Ca 0.07 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.66 1ufz h GLU 56 Cb 0.57 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.68 1ufz h GLU 56 CO -0.58 -0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 177.31 1ufz h ALA 57 N 0.95 0.93 -0.67 3.43 0.00 -0.63 1.74 119.26 125.00 1ufz h ALA 57 Ca 0.25 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1ufz h ALA 57 Cb 0.56 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1ufz h ALA 57 CO -0.81 -0.48 0.28 0.82 0.00 0.00 0.00 179.25 179.07 1ufz h ILE 58 N 0.04 1.24 0.00 0.00 2.04 0.66 -0.10 117.51 121.38 1ufz h ILE 58 Ca 0.51 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ufz h ILE 58 Cb 0.95 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1ufz h ILE 58 CO -0.86 0.29 0.00 0.18 0.00 0.00 0.00 178.15 177.76 1ufz n LEU 59 N -4.41 0.55 0.08 1.44 7.99 0.49 -0.02 117.00 123.13 1ufz n LEU 59 Ca 0.05 0.63 0.13 0.00 -0.01 0.00 0.00 56.01 56.80 1ufz n LEU 59 Cb 0.16 -0.54 0.34 0.00 -0.11 0.00 0.00 43.42 43.27 1ufz n LEU 59 CO 0.39 -0.46 0.71 1.17 -1.51 0.00 0.00 177.39 177.69 1ufz n LYS 60 N -2.10 0.26 -0.84 3.23 3.00 0.42 -3.56 118.16 118.56 1ufz n LYS 60 Ca 0.03 0.16 0.04 0.00 -0.00 0.00 0.00 58.31 58.54 1ufz n LYS 60 Cb 0.24 -1.75 0.06 0.00 0.00 0.00 0.00 35.03 33.58 1ufz n LYS 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ufz n HIS 61 N -2.17 0.00 -3.88 5.64 -0.00 -0.49 -5.02 115.22 109.30 1ufz n HIS 61 Ca 0.05 -0.60 -0.33 0.00 -0.00 0.00 0.00 57.72 56.84 1ufz n HIS 61 Cb 0.43 -0.14 0.01 0.00 -0.00 0.00 0.00 29.99 30.29 1ufz n HIS 61 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1ufz n LYS 62 N -0.21 -0.91 -2.63 -0.41 4.76 0.10 -3.60 118.16 115.26 1ufz n LYS 62 Ca 0.08 0.39 -0.02 0.00 -2.87 0.00 0.00 58.31 55.89 1ufz n LYS 62 Cb 0.86 -2.12 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 1ufz n LYS 62 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ufz n PHE 63 N -3.54 -4.02 -2.73 2.13 3.72 0.97 -5.00 117.46 108.99 1ufz n PHE 63 Ca -0.22 1.97 -0.08 0.00 -0.05 0.00 0.00 57.45 59.08 1ufz n PHE 63 Cb 0.59 -3.91 0.08 0.00 -0.94 0.00 0.00 39.48 35.30 1ufz n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ufz n ASP 64 N 0.98 -2.35 -0.40 4.37 2.03 -1.24 -5.02 116.55 114.93 1ufz n ASP 64 Ca -0.13 -3.25 -0.04 0.00 0.52 0.00 0.00 54.79 51.89 1ufz n ASP 64 Cb 0.20 1.74 -0.01 0.00 -0.72 0.00 0.00 41.12 42.33 1ufz n ASP 64 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ufz h VAL 65 N 2.63 0.00 -0.94 5.18 2.07 -1.93 1.23 116.25 124.50 1ufz h VAL 65 Ca -0.15 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.58 1ufz h VAL 65 Cb 1.10 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.69 1ufz h VAL 65 CO 0.16 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.58 1ufz n GLN 66 N -5.40 -0.08 -0.01 1.57 1.13 -1.26 0.22 117.38 113.55 1ufz n GLN 66 Ca 0.07 1.45 -0.05 0.00 -1.94 0.00 0.00 57.00 56.54 1ufz n GLN 66 Cb 0.35 -2.20 -0.04 0.00 0.11 0.00 0.00 30.24 28.47 1ufz n GLN 66 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1ufz h LYS 67 N 0.00 -0.09 -1.04 -1.09 1.63 0.19 -1.75 116.57 114.41 1ufz h LYS 67 Ca 0.48 0.01 0.41 0.00 -0.85 0.00 0.00 60.65 60.69 1ufz h LYS 67 Cb 0.80 0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.28 1ufz h LYS 67 CO -0.95 0.15 0.59 0.00 -3.45 0.00 0.00 179.45 175.79 1ufz h ALA 68 N -0.78 2.20 -0.00 5.00 0.00 0.25 1.14 119.26 127.07 1ufz h ALA 68 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ufz h ALA 68 Cb 0.28 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ufz h ALA 68 CO 0.02 -0.94 -0.02 -0.07 0.00 0.00 0.00 179.25 178.23 1ufz h LEU 69 N 0.07 0.03 -2.00 0.00 3.38 0.26 1.47 115.31 118.51 1ufz h LEU 69 Ca 0.83 -0.66 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1ufz h LEU 69 Cb 2.19 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.91 1ufz h LEU 69 CO -0.70 0.69 0.46 -1.28 0.09 0.00 0.00 178.44 177.70 1ufz h SER 70 N -0.63 0.00 0.02 -0.43 0.87 0.19 1.05 113.55 114.62 1ufz h SER 70 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 1ufz h SER 70 Cb 0.69 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1ufz h SER 70 CO 0.00 0.00 -1.65 0.52 -0.53 0.00 0.00 176.83 175.17 1ufz n VAL 71 N -4.28 1.57 -0.33 2.23 0.31 0.21 -3.39 118.33 114.65 1ufz n VAL 71 Ca 0.12 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1ufz n VAL 71 Cb 0.71 -1.95 0.23 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.81 0.84 0.92 2.52 2.07 0.29 0.92 116.25 123.00 1ufz h VAL 72 Ca -0.44 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1ufz h VAL 72 Cb 1.49 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1ufz h VAL 72 CO -0.21 0.15 -0.44 -0.07 0.02 0.00 0.00 177.57 177.03 1ufz h LEU 73 N 0.84 -1.04 0.02 2.57 3.38 0.96 -0.15 115.31 121.88 1ufz h LEU 73 Ca 0.48 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.52 1ufz h LEU 73 Cb 0.57 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ufz h LEU 73 CO -0.30 -0.70 -0.27 -0.08 0.09 0.00 0.00 178.44 177.17 1ufz h GLU 74 N -1.32 -0.41 -0.45 1.13 4.81 -1.40 0.78 114.58 117.72 1ufz h GLU 74 Ca -0.13 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1ufz h GLU 74 Cb 0.95 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 1ufz h GLU 74 CO 0.21 -0.27 -0.46 0.37 -0.73 0.00 0.00 179.01 178.13 1ufz h GLN 75 N -0.43 -0.31 -0.64 1.92 -0.00 0.87 0.11 115.11 116.64 1ufz h GLN 75 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1ufz h GLN 75 Cb 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.02 1ufz h GLN 75 CO -0.22 -0.20 0.42 0.22 0.00 0.00 0.00 178.83 179.04 1ufz h ASP 76 N -0.32 0.75 -0.76 -0.69 1.82 -0.61 -1.01 116.42 115.60 1ufz h ASP 76 Ca 0.13 -0.03 0.22 0.00 -0.39 0.00 0.00 57.03 56.97 1ufz h ASP 76 Cb 0.58 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1ufz h ASP 76 CO -0.61 0.55 0.66 1.23 -1.61 0.00 0.00 179.24 179.47 1ufz h GLY 77 N 0.87 0.00 0.22 -0.78 0.00 0.30 0.11 103.07 103.80 1ufz h GLY 77 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.67 1ufz h GLY 77 CO -0.05 0.00 0.12 0.23 0.00 0.00 0.00 176.54 176.84 1ufz h SER 78 N 0.00 -0.00 0.00 0.19 0.87 0.32 -2.92 113.55 112.01 1ufz h SER 78 Ca 0.36 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1ufz h SER 78 Cb 1.68 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 1ufz h SER 78 CO -0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1ufz n GLY 79 N -1.31 -2.99 3.69 5.77 0.00 0.38 -4.37 105.19 106.37 1ufz n GLY 79 Ca 0.08 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 1ufz n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufz s PRO 80 N -2.70 4.35 -0.52 1.61 0.04 -1.10 -4.98 135.00 131.69 1ufz s PRO 80 Ca 0.00 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 1ufz s PRO 80 Cb 0.00 -3.55 0.04 0.00 0.04 0.00 0.00 34.50 31.04 1ufz s PRO 80 CO 0.00 -0.44 0.82 -1.12 0.04 0.00 0.00 177.00 176.30 1ufz s SER 81 N 1.49 6.31 -0.61 6.66 0.01 -1.26 -4.86 113.70 121.44 1ufz s SER 81 Ca 0.57 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1ufz s SER 81 Cb -0.25 -2.38 0.16 0.00 0.21 0.00 0.00 66.02 63.75 1ufz s SER 81 CO 0.23 -1.08 0.42 -0.55 0.41 0.00 0.00 173.24 172.67 1ufz s SER 82 N 2.69 5.20 0.00 2.44 0.15 -1.26 -5.21 113.70 117.71 1ufz s SER 82 Ca 0.26 -2.81 0.00 0.00 0.70 0.00 0.00 55.95 54.09 1ufz s SER 82 Cb -0.14 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1ufz s SER 82 CO 0.17 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.85