#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 -3.89 1.61 7.64 -1.26 -5.15 113.62 112.58 1ufz n SER 2 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1ufz n SER 2 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1ufz n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ufz s SER 3 N 0.00 2.34 -0.70 6.43 0.15 -1.26 -5.05 113.70 115.60 1ufz s SER 3 Ca 0.00 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.29 1ufz s SER 3 Cb 0.00 -0.82 0.26 0.00 -1.71 0.00 0.00 66.02 63.75 1ufz s SER 3 CO 0.00 -0.15 0.88 0.61 1.20 0.00 0.00 173.24 175.78 1ufz n GLY 4 N 4.94 4.94 3.20 9.45 0.00 -1.26 -5.03 105.19 121.44 1ufz n GLY 4 Ca -0.12 -2.76 -0.33 0.00 0.00 0.00 0.00 46.02 42.81 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 -2.44 3.28 -0.22 1.61 1.04 -1.26 -5.09 113.70 110.62 1ufz s SER 5 Ca 0.39 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 1ufz s SER 5 Cb 0.14 -1.48 0.06 0.00 0.10 0.00 0.00 66.02 64.84 1ufz s SER 5 CO -0.00 0.08 -0.03 -0.44 0.98 0.00 0.00 173.24 173.83 1ufz s SER 6 N 0.83 3.57 -0.26 7.02 0.01 -1.26 -5.10 113.70 118.51 1ufz s SER 6 Ca -0.06 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.09 1ufz s SER 6 Cb -0.15 -1.00 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1ufz s SER 6 CO -0.02 -0.26 -0.01 -0.83 0.41 0.00 0.00 173.24 172.54 1ufz s GLY 7 N 1.54 1.68 0.55 3.44 0.00 -1.26 -4.96 107.32 108.30 1ufz s GLY 7 Ca -0.04 -1.38 0.49 0.00 0.00 0.00 0.00 44.72 43.79 1ufz s GLY 7 CO -0.07 0.54 1.56 -1.84 0.00 0.00 0.00 173.10 173.29 1ufz n GLU 8 N 4.77 -0.00 -0.19 2.90 0.00 -1.26 -0.20 120.64 126.66 1ufz n GLU 8 Ca -0.16 1.10 -0.10 0.00 0.00 0.00 0.00 57.16 57.99 1ufz n GLU 8 Cb 0.48 -2.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.37 1ufz n GLU 8 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1ufz h TYR 9 N 0.00 -1.43 -0.90 -1.84 0.05 -2.00 -0.15 116.97 110.69 1ufz h TYR 9 Ca 0.94 0.08 0.17 0.00 0.05 0.00 0.00 58.73 59.97 1ufz h TYR 9 Cb 3.71 0.70 -0.17 0.00 1.01 0.00 0.00 36.73 41.98 1ufz h TYR 9 CO -0.00 -0.44 -0.25 0.41 -1.05 0.00 0.00 178.16 176.82 1ufz n GLY 10 N -1.39 -1.60 0.34 3.88 0.00 0.72 0.17 105.19 107.31 1ufz n GLY 10 Ca -0.00 0.98 0.08 0.00 0.00 0.00 0.00 46.02 47.08 1ufz n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ufz n TYR 11 N -5.44 0.42 -0.02 1.61 9.36 -0.07 -0.50 117.16 122.52 1ufz n TYR 11 Ca 0.13 1.18 -0.14 0.00 3.32 0.00 0.00 57.90 62.39 1ufz n TYR 11 Cb 0.43 -1.11 -0.14 0.00 -0.63 0.00 0.00 39.34 37.89 1ufz n TYR 11 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ufz n GLU 12 N -5.54 0.69 -0.37 2.98 0.28 0.22 -3.88 120.64 115.02 1ufz n GLU 12 Ca 0.18 0.27 0.29 0.00 -0.16 0.00 0.00 57.16 57.73 1ufz n GLU 12 Cb 0.56 -1.74 0.55 0.00 1.43 0.00 0.00 31.44 32.24 1ufz n GLU 12 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1ufz h ASP 13 N 0.03 0.40 0.03 -1.84 3.58 0.43 0.53 116.42 119.58 1ufz h ASP 13 Ca -0.36 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1ufz h ASP 13 Cb 2.03 0.13 0.00 0.00 1.72 0.00 0.00 39.33 43.21 1ufz h ASP 13 CO 0.08 -0.15 -0.01 0.25 -2.88 0.00 0.00 179.24 176.53 1ufz h LEU 14 N 0.22 -0.03 -0.52 2.28 5.85 -1.15 -3.50 115.31 118.47 1ufz h LEU 14 Ca 0.75 -0.59 0.33 0.00 0.84 0.00 0.00 57.88 59.21 1ufz h LEU 14 Cb 2.01 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.88 1ufz h LEU 14 CO -0.51 0.59 -1.09 -1.14 -0.34 0.00 0.00 178.44 175.95 1ufz n ARG 15 N -4.81 -3.03 -1.39 1.25 3.00 0.19 -4.76 116.66 107.11 1ufz n ARG 15 Ca -0.09 2.43 -0.41 0.00 -0.00 0.00 0.00 57.85 59.79 1ufz n ARG 15 Cb 0.31 -3.62 0.01 0.00 0.00 0.00 0.00 32.46 29.16 1ufz n ARG 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ufz n GLU 16 N -4.23 0.33 -1.68 -0.14 1.02 -1.26 -4.67 120.64 110.01 1ufz n GLU 16 Ca -0.07 0.12 -0.59 0.00 -0.02 0.00 0.00 57.16 56.60 1ufz n GLU 16 Cb 0.65 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 1ufz n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ufz n SER 17 N 1.59 1.85 -0.07 1.62 7.64 -1.26 -4.87 113.62 120.12 1ufz n SER 17 Ca 0.11 1.11 -0.06 0.00 1.01 0.00 0.00 58.87 61.04 1ufz n SER 17 Cb 0.42 -1.08 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 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 5.99 0.00 -5.10 6.43 0.87 -1.88 -3.50 113.55 116.35 1ufz h SER 18 Ca -0.47 -0.22 0.22 0.00 -1.23 0.00 0.00 61.79 60.09 1ufz h SER 18 Cb 1.34 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.17 1ufz h SER 18 CO 0.91 0.78 0.64 0.20 -0.53 0.00 0.00 176.83 178.83 1ufz s ASN 19 N -5.88 -0.18 0.09 6.23 -0.87 -1.26 -5.02 114.94 108.05 1ufz s ASN 19 Ca -0.11 -0.17 -0.33 0.00 -1.57 0.00 0.00 52.86 50.68 1ufz s ASN 19 Cb 0.01 0.32 -0.15 0.00 -0.02 0.00 0.00 41.25 41.40 1ufz s ASN 19 CO 0.25 -0.56 1.59 -1.28 -2.57 0.00 0.00 177.10 174.53 1ufz h SER 20 N 2.00 -1.12 -0.28 -1.22 0.87 -1.98 -0.18 113.55 111.62 1ufz h SER 20 Ca -0.23 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1ufz h SER 20 Cb 1.21 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 63.49 1ufz h SER 20 CO 0.27 -0.59 -0.36 0.25 -0.53 0.00 0.00 176.83 175.87 1ufz h LEU 21 N -0.89 -1.22 -0.42 2.23 5.85 -1.98 0.52 115.31 119.39 1ufz h LEU 21 Ca -0.05 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1ufz h LEU 21 Cb 0.77 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1ufz h LEU 21 CO -0.04 -0.26 -0.34 0.25 -0.34 0.00 0.00 178.44 177.72 1ufz h LEU 22 N -0.25 -1.19 -0.79 2.25 7.12 -1.93 0.28 115.31 120.81 1ufz h LEU 22 Ca 0.05 0.17 0.15 0.00 0.13 0.00 0.00 57.88 58.38 1ufz h LEU 22 Cb 0.38 0.51 -0.15 0.00 -0.53 0.00 0.00 40.66 40.87 1ufz h LEU 22 CO -0.40 -0.18 -0.23 0.78 -0.13 0.00 0.00 178.44 178.28 1ufz h ASN 23 N -0.11 -0.85 -0.81 1.25 2.35 -0.21 0.50 115.58 117.70 1ufz h ASN 23 Ca 0.07 0.24 0.16 0.00 -0.55 0.00 0.00 56.30 56.22 1ufz h ASN 23 Cb 0.29 0.53 -0.15 0.00 0.05 0.00 0.00 38.32 39.03 1ufz h ASN 23 CO -0.46 -0.27 -0.23 -0.74 -1.65 0.00 0.00 177.43 174.08 1ufz h HIS 24 N -0.02 -0.52 -0.98 1.19 2.76 0.36 1.04 115.15 118.97 1ufz h HIS 24 Ca 0.36 0.08 0.26 0.00 -2.20 0.00 0.00 60.37 58.87 1ufz h HIS 24 Cb 0.58 0.36 -0.13 0.00 1.55 0.00 0.00 27.41 29.77 1ufz h HIS 24 CO -0.65 -0.36 0.53 0.37 -1.30 0.00 0.00 177.93 176.52 1ufz h GLN 25 N -0.02 0.45 -3.60 5.26 4.15 0.11 -3.47 115.11 117.99 1ufz h GLN 25 Ca 0.38 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1ufz h GLN 25 Cb 0.60 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ufz h GLN 25 CO -0.84 0.30 -0.91 1.28 -1.93 0.00 0.00 178.83 176.73 1ufz n LEU 26 N -4.97 -1.96 -4.87 -2.39 4.77 0.36 -4.92 117.00 103.01 1ufz n LEU 26 Ca 0.27 2.89 -0.31 0.00 -0.03 0.00 0.00 56.01 58.83 1ufz n LEU 26 Cb 0.78 -2.93 0.01 0.00 -2.33 0.00 0.00 43.42 38.96 1ufz n LEU 26 CO 0.13 -0.07 0.72 -0.44 -1.33 0.00 0.00 177.39 176.41 1ufz s SER 27 N -4.19 6.18 0.23 -1.43 0.01 -1.26 -4.76 113.70 108.48 1ufz s SER 27 Ca 0.00 1.40 -0.07 0.00 1.31 0.00 0.00 55.95 58.60 1ufz s SER 27 Cb 0.00 -2.44 0.41 0.00 0.21 0.00 0.00 66.02 64.20 1ufz s SER 27 CO 0.00 -0.90 1.68 1.05 0.41 0.00 0.00 173.24 175.48 1ufz h GLU 28 N -0.34 0.23 0.58 12.44 4.11 -1.99 0.48 114.58 130.08 1ufz h GLU 28 Ca -0.44 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1ufz h GLU 28 Cb 1.19 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ufz h GLU 28 CO 0.62 0.15 -0.28 0.82 0.07 0.00 0.00 179.01 180.40 1ufz h ILE 29 N 0.24 0.00 -0.92 -1.06 2.04 -2.00 -2.94 117.51 112.87 1ufz h ILE 29 Ca 0.39 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1ufz h ILE 29 Cb 0.65 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.60 1ufz h ILE 29 CO -0.50 0.00 -0.54 0.44 0.00 0.00 0.00 178.15 177.55 1ufz h ASP 30 N -1.18 -1.95 -0.91 1.72 5.19 -1.80 0.15 116.42 117.64 1ufz h ASP 30 Ca -0.08 0.31 0.09 0.00 -0.62 0.00 0.00 57.03 56.74 1ufz h ASP 30 Cb 0.59 0.88 -0.12 0.00 0.18 0.00 0.00 39.33 40.87 1ufz h ASP 30 CO 0.13 -0.26 -0.55 1.56 -3.12 0.00 0.00 179.24 177.00 1ufz h GLN 31 N -0.05 -0.05 -0.09 3.56 4.20 -0.12 0.40 115.11 122.96 1ufz h GLN 31 Ca 0.19 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1ufz h GLN 31 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1ufz h GLN 31 CO -0.90 -0.04 -0.05 0.00 -0.67 0.00 0.00 178.83 177.17 1ufz h ALA 32 N 0.58 -0.06 -0.78 3.87 0.00 -0.51 1.34 119.26 123.70 1ufz h ALA 32 Ca 0.18 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.28 1ufz h ALA 32 Cb 0.47 1.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1ufz h ALA 32 CO -0.90 -0.09 0.18 0.00 0.00 0.00 0.00 179.25 178.44 1ufz h ARG 33 N -0.00 0.24 0.15 0.00 3.08 -0.82 1.43 114.38 118.45 1ufz h ARG 33 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ufz h ARG 33 Cb 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ufz h ARG 33 CO -0.08 0.16 -0.12 1.25 -1.07 0.00 0.00 179.97 180.11 1ufz h LEU 34 N 0.25 -0.31 -1.19 3.04 7.12 0.39 -0.40 115.31 124.21 1ufz h LEU 34 Ca 0.45 0.02 0.16 0.00 0.13 0.00 0.00 57.88 58.64 1ufz h LEU 34 Cb 0.81 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.95 1ufz h LEU 34 CO -0.56 -0.16 0.60 1.88 -0.13 0.00 0.00 178.44 180.07 1ufz h TYR 35 N -0.25 0.92 -0.00 1.25 0.05 0.22 0.63 116.97 119.77 1ufz h TYR 35 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1ufz h TYR 35 Cb 0.21 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1ufz h TYR 35 CO -0.03 0.30 0.00 1.03 -1.05 0.00 0.00 178.16 178.41 1ufz h SER 36 N 0.74 0.00 0.39 3.88 0.87 0.23 1.61 113.55 121.27 1ufz h SER 36 Ca 0.49 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.89 1ufz h SER 36 Cb 0.77 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 1ufz h SER 36 CO -0.26 0.00 -1.75 0.00 -0.53 0.00 0.00 176.83 174.29 1ufz h LEU 38 N 0.00 -0.05 -1.56 0.00 5.85 0.20 -3.21 115.31 116.53 1ufz h LEU 38 Ca -0.20 -0.32 0.48 0.00 0.84 0.00 0.00 57.88 58.68 1ufz h LEU 38 Cb 1.55 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 1ufz h LEU 38 CO 0.03 0.59 1.09 -0.67 -0.34 0.00 0.00 178.44 179.13 1ufz n ASP 39 N -4.77 0.08 0.09 1.25 2.03 0.53 0.95 116.55 116.71 1ufz n ASP 39 Ca -0.04 1.04 -0.04 0.00 0.52 0.00 0.00 54.79 56.27 1ufz n ASP 39 Cb 0.18 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 1ufz n ASP 39 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1ufz h HIS 40 N 0.00 -0.23 0.00 -0.67 2.76 -1.72 -1.69 115.15 113.60 1ufz h HIS 40 Ca 0.83 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.99 1ufz h HIS 40 Cb 3.06 0.08 0.00 0.00 1.55 0.00 0.00 27.41 32.10 1ufz h HIS 40 CO -0.00 -0.14 0.00 -0.12 -1.30 0.00 0.00 177.93 176.36 1ufz n MET 41 N -2.97 0.10 0.10 5.26 1.56 0.15 -0.77 117.12 120.55 1ufz n MET 41 Ca -0.03 0.59 -0.17 0.00 -0.27 0.00 0.00 57.70 57.82 1ufz n MET 41 Cb 0.10 -1.82 -0.14 0.00 2.15 0.00 0.00 33.22 33.51 1ufz n MET 41 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1ufz h ARG 42 N 0.00 0.31 0.00 2.12 2.43 0.71 0.85 114.38 120.79 1ufz h ARG 42 Ca 0.00 -0.53 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 1ufz h ARG 42 Cb 0.01 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ufz h ARG 42 CO 0.00 1.24 -0.37 0.93 -1.51 0.00 0.00 179.97 180.26 1ufz h GLU 43 N 0.08 0.00 0.00 0.20 3.07 0.02 0.50 114.58 118.45 1ufz h GLU 43 Ca -0.17 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.48 1ufz h GLU 43 Cb 2.01 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.89 1ufz h GLU 43 CO 0.21 0.37 -1.45 0.28 -1.40 0.00 0.00 179.01 177.03 1ufz n VAL 44 N -3.30 1.50 -0.11 3.13 0.31 -0.93 -4.43 118.33 114.51 1ufz n VAL 44 Ca 0.01 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.11 1ufz n VAL 44 Cb 0.61 -2.13 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 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 -4.42 1.90 -0.54 7.52 4.32 0.26 -4.26 117.00 121.77 1ufz n LEU 45 Ca -0.30 0.42 0.42 0.00 -0.02 0.00 0.00 56.01 56.52 1ufz n LEU 45 Cb 0.63 -0.85 0.65 0.00 -1.62 0.00 0.00 43.42 42.22 1ufz n LEU 45 CO 0.13 0.10 1.17 0.61 -1.22 0.00 0.00 177.39 178.19 1ufz n GLY 46 N 1.42 -0.79 0.33 -0.72 0.00 0.94 0.61 105.19 106.97 1ufz n GLY 46 Ca -0.30 0.58 0.19 0.00 0.00 0.00 0.00 46.02 46.49 1ufz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufz n ASP 47 N -3.73 0.02 -0.04 1.61 9.92 0.14 -3.12 116.55 121.35 1ufz n ASP 47 Ca 0.36 1.63 -0.10 0.00 -0.53 0.00 0.00 54.79 56.15 1ufz n ASP 47 Cb 1.58 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 41.38 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ufz n ALA 48 N -2.92 2.18 -1.26 2.24 0.00 0.20 -5.04 120.51 115.92 1ufz n ALA 48 Ca 0.27 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 1ufz n ALA 48 Cb 0.89 0.28 0.10 0.00 0.00 0.00 0.00 19.45 20.72 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 -2.28 3.17 0.00 0.00 -7.23 -0.71 -5.05 120.40 108.31 1ufz s VAL 49 Ca -0.15 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1ufz s VAL 49 Cb 0.05 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1ufz s VAL 49 CO 0.20 -0.50 0.00 -0.81 -0.31 0.00 0.00 175.10 173.68 1ufz n PRO 50 N -3.60 0.45 -0.09 4.82 -0.04 -1.26 -3.94 135.00 131.33 1ufz n PRO 50 Ca 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 1ufz n PRO 50 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ufz n ASP 51 N -1.10 1.88 -0.20 3.54 9.92 -1.26 -4.19 116.55 125.14 1ufz n ASP 51 Ca 0.00 0.48 -0.05 0.00 -0.53 0.00 0.00 54.79 54.68 1ufz n ASP 51 Cb 0.00 -0.83 -0.05 0.00 -0.64 0.00 0.00 41.12 39.61 1ufz n ASP 51 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ufz n ASP 52 N -4.51 -0.51 -0.28 -2.24 2.03 -1.26 0.12 116.55 109.91 1ufz n ASP 52 Ca -0.16 1.36 0.12 0.00 0.52 0.00 0.00 54.79 56.62 1ufz n ASP 52 Cb 0.46 -0.36 0.23 0.00 -0.72 0.00 0.00 41.12 40.73 1ufz n ASP 52 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ufz n ILE 53 N -4.08 -0.33 0.07 5.18 5.41 -1.26 0.13 119.36 124.48 1ufz n ILE 53 Ca 0.01 1.75 -0.12 0.00 1.00 0.00 0.00 62.75 65.39 1ufz n ILE 53 Cb 0.12 -2.56 -0.08 0.00 -0.71 0.00 0.00 39.64 36.41 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 -0.20 -0.80 1.39 3.38 0.71 -2.91 115.31 116.88 1ufz h LEU 54 Ca 0.48 -0.32 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1ufz h LEU 54 Cb 1.00 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1ufz h LEU 54 CO -0.75 0.28 -0.05 0.74 0.09 0.00 0.00 178.44 178.75 1ufz h THR 55 N -0.75 0.26 -0.28 0.22 2.02 0.87 0.26 112.91 115.52 1ufz h THR 55 Ca -0.02 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1ufz h THR 55 Cb 0.51 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1ufz h THR 55 CO 0.04 0.01 -0.08 -0.33 0.37 0.00 0.00 175.52 175.54 1ufz h GLU 56 N 0.06 -0.01 -0.81 6.66 5.08 0.26 -0.89 114.58 124.94 1ufz h GLU 56 Ca 0.43 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.98 1ufz h GLU 56 Cb 0.75 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1ufz h GLU 56 CO -0.74 -0.01 0.14 0.00 -1.00 0.00 0.00 179.01 177.40 1ufz h ALA 57 N 1.26 1.03 0.58 3.43 0.00 -0.30 1.10 119.26 126.36 1ufz h ALA 57 Ca 0.13 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ufz h ALA 57 Cb 0.21 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ufz h ALA 57 CO -0.29 -0.42 -0.46 0.82 0.00 0.00 0.00 179.25 178.90 1ufz h ILE 58 N 0.19 0.08 0.00 0.00 2.04 -0.59 0.74 117.51 119.97 1ufz h ILE 58 Ca 0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1ufz h ILE 58 Cb 0.88 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1ufz h ILE 58 CO -0.63 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.70 1ufz n LEU 59 N -5.56 0.57 0.21 1.44 7.99 -0.01 0.08 117.00 121.73 1ufz n LEU 59 Ca -0.13 0.74 0.14 0.00 -0.01 0.00 0.00 56.01 56.76 1ufz n LEU 59 Cb 0.45 -0.78 0.43 0.00 -0.11 0.00 0.00 43.42 43.41 1ufz n LEU 59 CO 0.31 -0.87 0.89 0.50 -1.51 0.00 0.00 177.39 176.70 1ufz h LYS 60 N 0.00 0.00 -0.02 3.23 1.63 0.36 -3.19 116.57 118.58 1ufz h LYS 60 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1ufz h LYS 60 Cb 0.07 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 31.35 1ufz h LYS 60 CO 0.00 0.00 -0.98 0.72 -3.45 0.00 0.00 179.45 175.74 1ufz n HIS 61 N -2.86 0.06 -3.86 1.91 8.25 0.11 -5.02 115.22 113.81 1ufz n HIS 61 Ca 0.03 -0.69 -0.29 0.00 -0.26 0.00 0.00 57.72 56.51 1ufz n HIS 61 Cb 0.40 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1ufz n HIS 61 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ufz n LYS 62 N 0.26 -1.28 -2.83 -0.41 4.76 0.03 -3.56 118.16 115.13 1ufz n LYS 62 Ca 0.08 0.60 -0.01 0.00 -2.87 0.00 0.00 58.31 56.11 1ufz n LYS 62 Cb 1.08 -2.24 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.12 -2.93 -2.73 2.13 3.01 -0.12 -4.98 117.46 108.73 1ufz n PHE 63 Ca -0.29 1.39 -0.09 0.00 1.01 0.00 0.00 57.45 59.48 1ufz n PHE 63 Cb 0.67 -3.13 0.09 0.00 -0.01 0.00 0.00 39.48 37.10 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 1.11 -2.30 -0.33 4.37 2.03 -1.23 -5.01 116.55 115.19 1ufz n ASP 64 Ca -0.07 -3.60 -0.02 0.00 0.52 0.00 0.00 54.79 51.62 1ufz n ASP 64 Cb 0.22 1.89 0.03 0.00 -0.72 0.00 0.00 41.12 42.55 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 2.86 0.05 -1.12 5.18 2.07 -1.92 1.98 116.25 125.36 1ufz h VAL 65 Ca -0.11 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.78 1ufz h VAL 65 Cb 1.10 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1ufz h VAL 65 CO 0.13 0.00 0.67 1.56 0.02 0.00 0.00 177.57 179.95 1ufz h GLN 66 N -0.05 0.19 0.00 1.57 1.08 -1.97 1.83 115.11 117.77 1ufz h GLN 66 Ca 0.32 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1ufz h GLN 66 Cb 0.59 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1ufz h GLN 66 CO -0.90 0.13 -0.97 -0.22 -0.95 0.00 0.00 178.83 175.91 1ufz h LYS 67 N 0.20 0.00 -1.03 1.46 1.63 0.17 -3.12 116.57 115.88 1ufz h LYS 67 Ca 0.77 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 60.84 1ufz h LYS 67 Cb 2.06 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.61 1ufz h LYS 67 CO -0.54 0.89 0.69 0.00 -3.45 0.00 0.00 179.45 177.04 1ufz h ALA 68 N -0.47 2.40 -0.06 5.00 0.00 0.41 1.39 119.26 127.93 1ufz h ALA 68 Ca -0.26 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1ufz h ALA 68 Cb 1.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ufz h ALA 68 CO -0.16 -0.77 -0.73 -0.07 0.00 0.00 0.00 179.25 177.53 1ufz h LEU 69 N 0.31 0.39 -0.70 0.00 3.38 0.26 1.66 115.31 120.61 1ufz h LEU 69 Ca 0.56 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1ufz h LEU 69 Cb 1.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1ufz h LEU 69 CO -0.22 0.99 -0.46 0.28 0.09 0.00 0.00 178.44 179.12 1ufz h SER 70 N 0.22 0.00 0.02 -0.43 0.02 0.16 -0.23 113.55 113.31 1ufz h SER 70 Ca -0.03 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.62 1ufz h SER 70 Cb 1.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1ufz h SER 70 CO 0.12 0.46 -1.67 0.52 -1.14 0.00 0.00 176.83 175.12 1ufz n VAL 71 N -3.50 1.57 -0.20 2.27 0.31 0.20 -3.91 118.33 115.07 1ufz n VAL 71 Ca 0.00 -0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.08 1ufz n VAL 71 Cb 0.59 -1.94 0.07 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.80 1.02 -0.33 2.52 2.07 0.24 0.14 116.25 121.11 1ufz h VAL 72 Ca -0.44 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1ufz h VAL 72 Cb 1.50 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 1ufz h VAL 72 CO -0.21 0.12 -0.45 -0.07 0.02 0.00 0.00 177.57 176.98 1ufz h LEU 73 N 0.66 -1.48 0.03 2.57 3.38 -1.19 1.27 115.31 120.55 1ufz h LEU 73 Ca 0.25 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ufz h LEU 73 Cb 0.09 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ufz h LEU 73 CO -0.13 -0.39 -0.02 -0.33 0.09 0.00 0.00 178.44 177.66 1ufz h GLU 74 N -0.39 -0.04 0.16 1.13 4.39 -1.56 0.42 114.58 118.69 1ufz h GLU 74 Ca 0.11 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ufz h GLU 74 Cb 0.60 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1ufz h GLU 74 CO -0.53 -0.00 -0.52 1.96 -1.16 0.00 0.00 179.01 178.76 1ufz h GLN 75 N -0.07 -0.75 0.00 2.33 1.08 0.33 0.95 115.11 118.98 1ufz h GLN 75 Ca -0.00 0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ufz h GLN 75 Cb 0.06 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1ufz h GLN 75 CO 0.01 -0.50 -0.02 -0.44 -0.95 0.00 0.00 178.83 176.93 1ufz h ASP 76 N -0.78 0.00 -0.57 1.46 3.32 0.16 -1.66 116.42 118.36 1ufz h ASP 76 Ca -0.01 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 1ufz h ASP 76 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1ufz h ASP 76 CO -0.26 0.02 0.79 1.23 -1.72 0.00 0.00 179.24 179.30 1ufz h GLY 77 N 0.07 0.00 0.95 2.75 0.00 0.25 0.84 103.07 107.92 1ufz h GLY 77 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1ufz h GLY 77 CO 0.00 0.00 0.05 1.76 0.00 0.00 0.00 176.54 178.36 1ufz h SER 78 N 0.00 0.68 0.00 0.19 0.02 -1.30 -3.28 113.55 109.86 1ufz h SER 78 Ca 0.27 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ufz h SER 78 Cb 1.86 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1ufz h SER 78 CO -0.00 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 1ufz n GLY 79 N -0.47 -3.08 3.60 -3.77 0.00 0.29 -3.99 105.19 97.76 1ufz n GLY 79 Ca -0.00 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.96 3.58 -0.48 1.61 0.04 -1.24 -4.97 135.00 130.58 1ufz s PRO 80 Ca 0.00 0.94 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 1ufz s PRO 80 Cb 0.00 -4.02 0.04 0.00 0.04 0.00 0.00 34.50 30.56 1ufz s PRO 80 CO 0.00 -1.56 0.64 -1.54 0.04 0.00 0.00 177.00 174.58 1ufz s SER 81 N 3.90 6.26 -1.17 6.66 1.04 -1.26 -4.93 113.70 124.20 1ufz s SER 81 Ca 0.61 -0.66 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 1ufz s SER 81 Cb -0.14 -2.31 0.14 0.00 0.10 0.00 0.00 66.02 63.82 1ufz s SER 81 CO 0.32 -0.86 1.45 -0.94 0.98 0.00 0.00 173.24 174.20 1ufz s SER 82 N 2.40 6.93 0.00 7.02 1.04 -1.26 -5.22 113.70 124.61 1ufz s SER 82 Ca 0.18 -2.66 0.30 0.00 0.48 0.00 0.00 55.95 54.26 1ufz s SER 82 Cb -0.17 -2.45 1.48 0.00 0.10 0.00 0.00 66.02 64.98 1ufz s SER 82 CO 0.15 -0.92 1.99 0.61 0.98 0.00 0.00 173.24 176.04