#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufz s SER 2 N 0.00 3.20 0.13 1.61 0.01 -1.26 -5.13 113.70 112.26 1ufz s SER 2 Ca 0.00 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.86 1ufz s SER 2 Cb 0.00 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1ufz s SER 2 CO 0.00 0.25 -0.11 -0.44 0.41 0.00 0.00 173.24 173.35 1ufz s SER 3 N -0.17 4.27 0.00 2.44 0.01 -1.26 -4.97 113.70 114.01 1ufz s SER 3 Ca -0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1ufz s SER 3 Cb -0.14 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1ufz s SER 3 CO 0.04 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1ufz n GLY 4 N 0.49 0.73 1.63 3.44 0.00 -1.26 -5.02 105.19 105.20 1ufz n GLY 4 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ufz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufz n SER 5 N 0.00 0.22 0.08 1.61 2.88 -1.26 -4.94 113.62 112.22 1ufz n SER 5 Ca 0.00 0.26 -0.05 0.00 -1.33 0.00 0.00 58.87 57.75 1ufz n SER 5 Cb 0.00 0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1ufz n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ufz h SER 6 N 0.00 -0.25 0.00 -3.46 0.87 -2.05 -3.49 113.55 105.16 1ufz h SER 6 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ufz h SER 6 Cb 0.11 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1ufz h SER 6 CO 0.00 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 1ufz n GLY 7 N 0.99 0.40 0.16 5.77 0.00 -1.26 -5.02 105.19 106.22 1ufz n GLY 7 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.46 1ufz n GLY 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ufz h GLU 8 N 0.00 0.00 0.02 1.61 4.11 -1.98 -2.89 114.58 115.45 1ufz h GLU 8 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1ufz h GLU 8 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ufz h GLU 8 CO 0.00 0.44 -0.19 1.88 0.07 0.00 0.00 179.01 181.21 1ufz h TYR 9 N 0.00 0.15 0.38 2.06 -1.99 -1.96 -3.19 116.97 112.42 1ufz h TYR 9 Ca -0.00 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1ufz h TYR 9 Cb 1.16 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.85 1ufz h TYR 9 CO 0.00 1.01 -0.41 0.78 -0.00 0.00 0.00 178.16 179.55 1ufz h GLY 10 N -0.76 -0.95 -0.53 3.88 0.00 -1.96 -2.37 103.07 100.38 1ufz h GLY 10 Ca -0.03 0.47 0.12 0.00 0.00 0.00 0.00 47.33 47.89 1ufz h GLY 10 CO 0.04 -0.32 -0.32 -1.82 0.00 0.00 0.00 176.54 174.12 1ufz h TYR 11 N -0.81 -0.85 -0.29 5.60 3.20 -1.66 -0.14 116.97 122.01 1ufz h TYR 11 Ca -0.03 0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1ufz h TYR 11 Cb 0.73 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 39.40 1ufz h TYR 11 CO -0.23 -0.38 -0.51 1.49 -1.64 0.00 0.00 178.16 176.90 1ufz h GLU 12 N -0.11 -0.44 -0.44 1.82 4.81 -1.47 0.29 114.58 119.04 1ufz h GLU 12 Ca 0.27 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.62 1ufz h GLU 12 Cb 0.56 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.94 1ufz h GLU 12 CO -0.75 -0.29 -0.28 -0.44 -0.73 0.00 0.00 179.01 176.53 1ufz h ASP 13 N -0.45 -0.93 -0.48 1.04 3.32 -0.63 0.72 116.42 119.00 1ufz h ASP 13 Ca 0.08 0.19 0.10 0.00 0.02 0.00 0.00 57.03 57.41 1ufz h ASP 13 Cb 0.63 0.47 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1ufz h ASP 13 CO -0.52 -0.29 -0.14 0.25 -1.72 0.00 0.00 179.24 176.82 1ufz h LEU 14 N -0.19 -0.51-10.02 1.55 6.46 0.37 -3.08 115.31 109.90 1ufz h LEU 14 Ca 0.20 0.15 -0.49 0.00 -0.12 0.00 0.00 57.88 57.62 1ufz h LEU 14 Cb 0.51 0.32 0.05 0.00 -0.73 0.00 0.00 40.66 40.81 1ufz h LEU 14 CO -0.55 -0.18 0.44 -0.13 -0.62 0.00 0.00 178.44 177.40 1ufz s ARG 15 N -6.21 3.79 0.00 1.25 0.52 0.87 -3.91 118.95 115.26 1ufz s ARG 15 Ca -0.14 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1ufz s ARG 15 Cb 0.16 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1ufz s ARG 15 CO 0.72 -0.49 0.00 0.39 0.02 0.00 0.00 175.30 175.94 1ufz n GLU 16 N -0.63 0.00 -2.10 3.54 1.02 -1.26 -4.58 120.64 116.63 1ufz n GLU 16 Ca 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1ufz n GLU 16 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ufz n SER 17 N 1.97 -4.61 -0.08 1.62 2.88 -1.16 -5.02 113.62 109.21 1ufz n SER 17 Ca 0.00 0.21 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 1ufz n SER 17 Cb 0.00 -2.93 -0.06 0.00 -0.75 0.00 0.00 64.21 60.47 1ufz n SER 17 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ufz h SER 18 N 0.81 0.00 -0.35 -3.46 0.02 -1.81 -3.46 113.55 105.30 1ufz h SER 18 Ca 0.00 -0.26 -0.75 0.00 -0.84 0.00 0.00 61.79 59.93 1ufz h SER 18 Cb 0.50 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1ufz h SER 18 CO 0.09 1.04 1.29 -3.20 -1.14 0.00 0.00 176.83 174.91 1ufz n ASN 19 N -4.56 1.13 -0.01 3.07 2.85 -1.26 -4.81 115.26 111.67 1ufz n ASN 19 Ca -0.17 0.67 -0.07 0.00 -0.11 0.00 0.00 54.58 54.90 1ufz n ASN 19 Cb 0.42 -0.99 -0.06 0.00 1.24 0.00 0.00 39.78 40.40 1ufz n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1ufz h SER 20 N 9.42 -0.08 -0.51 1.20 0.87 -1.99 -3.15 113.55 119.31 1ufz h SER 20 Ca -0.17 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1ufz h SER 20 Cb 1.39 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.30 1ufz h SER 20 CO 1.06 0.57 -0.39 -0.07 -0.53 0.00 0.00 176.83 177.48 1ufz h LEU 21 N -0.97 -1.37 -0.37 2.23 4.07 -1.98 1.35 115.31 118.27 1ufz h LEU 21 Ca -0.01 0.20 0.03 0.00 0.08 0.00 0.00 57.88 58.18 1ufz h LEU 21 Cb 0.45 0.59 -0.05 0.00 1.08 0.00 0.00 40.66 42.74 1ufz h LEU 21 CO 0.02 -0.20 -0.24 0.25 -1.08 0.00 0.00 178.44 177.19 1ufz h LEU 22 N -0.11 -0.86 -0.49 1.67 6.46 -1.96 0.76 115.31 120.79 1ufz h LEU 22 Ca 0.08 0.13 0.10 0.00 -0.12 0.00 0.00 57.88 58.07 1ufz h LEU 22 Cb 0.32 0.38 -0.10 0.00 -0.73 0.00 0.00 40.66 40.53 1ufz h LEU 22 CO -0.54 -0.11 -0.20 0.78 -0.62 0.00 0.00 178.44 177.76 1ufz h ASN 23 N -0.03 -0.68 -0.43 1.25 4.21 -1.18 -0.56 115.58 118.16 1ufz h ASN 23 Ca 0.06 0.17 0.08 0.00 1.21 0.00 0.00 56.30 57.82 1ufz h ASN 23 Cb 0.18 0.39 -0.09 0.00 -1.12 0.00 0.00 38.32 37.67 1ufz h ASN 23 CO -0.36 -0.23 -0.39 -0.74 -1.29 0.00 0.00 177.43 174.42 1ufz h HIS 24 N -0.09 -1.13 -0.96 1.19 2.76 0.50 0.28 115.15 117.72 1ufz h HIS 24 Ca 0.23 0.07 0.30 0.00 -2.20 0.00 0.00 60.37 58.77 1ufz h HIS 24 Cb 0.44 0.55 -0.16 0.00 1.55 0.00 0.00 27.41 29.80 1ufz h HIS 24 CO -0.48 -0.42 0.35 0.37 -1.30 0.00 0.00 177.93 176.46 1ufz h GLN 25 N -0.29 0.16 -3.43 5.26 4.15 0.20 -2.57 115.11 118.59 1ufz h GLN 25 Ca 0.16 -0.01 -0.72 0.00 0.77 0.00 0.00 58.65 58.85 1ufz h GLN 25 Cb 0.57 -0.04 -0.34 0.00 0.21 0.00 0.00 27.48 27.88 1ufz h GLN 25 CO -0.58 0.10 -0.08 -0.51 -1.93 0.00 0.00 178.83 175.83 1ufz s LEU 26 N -10.63 5.66 0.61 -2.39 1.43 1.00 -5.01 118.68 109.34 1ufz s LEU 26 Ca -0.11 -3.44 -0.18 0.00 -1.03 0.00 0.00 54.13 49.37 1ufz s LEU 26 Cb 0.29 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.47 1ufz s LEU 26 CO 0.78 -0.26 0.36 -1.54 0.23 0.00 0.00 176.35 175.91 1ufz n SER 27 N 2.74 -1.75 -0.50 2.29 3.41 -0.97 -3.99 113.62 114.85 1ufz n SER 27 Ca 0.18 0.66 0.42 0.00 -0.26 0.00 0.00 58.87 59.87 1ufz n SER 27 Cb 0.38 -1.11 0.70 0.00 -0.26 0.00 0.00 64.21 63.92 1ufz n SER 27 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ufz h GLU 28 N -0.01 0.01 0.06 4.33 4.11 -1.90 0.22 114.58 121.40 1ufz h GLU 28 Ca -0.45 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ufz h GLU 28 Cb 1.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ufz h GLU 28 CO 0.44 0.01 -0.03 0.82 0.07 0.00 0.00 179.01 180.32 1ufz h ILE 29 N 0.01 0.00 -0.78 -1.06 1.08 -1.99 -2.53 117.51 112.24 1ufz h ILE 29 Ca 0.89 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 65.42 1ufz h ILE 29 Cb 2.94 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 36.57 1ufz h ILE 29 CO -0.41 0.00 -0.52 0.44 -0.69 0.00 0.00 178.15 176.97 1ufz h ASP 30 N -0.10 -1.86 -0.85 1.72 3.32 -1.18 0.16 116.42 117.63 1ufz h ASP 30 Ca -0.01 0.29 0.08 0.00 0.02 0.00 0.00 57.03 57.41 1ufz h ASP 30 Cb 0.06 0.83 -0.10 0.00 0.22 0.00 0.00 39.33 40.34 1ufz h ASP 30 CO 0.01 -0.30 -0.50 1.67 -1.72 0.00 0.00 179.24 178.40 1ufz n GLN 31 N -5.34 -0.37 -0.40 3.56 0.00 0.52 0.24 117.38 115.59 1ufz n GLN 31 Ca 0.02 1.38 -0.04 0.00 -0.00 0.00 0.00 57.00 58.35 1ufz n GLN 31 Cb 0.32 -2.03 -0.01 0.00 0.00 0.00 0.00 30.24 28.52 1ufz n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ufz h ALA 32 N 0.33 -0.08 -0.30 1.69 0.00 -0.52 0.48 119.26 120.86 1ufz h ALA 32 Ca 0.14 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1ufz h ALA 32 Cb 0.35 1.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1ufz h ALA 32 CO -0.80 -0.74 -0.29 0.00 0.00 0.00 0.00 179.25 177.42 1ufz h ARG 33 N -0.00 -0.26 -0.26 0.00 3.08 0.20 0.58 114.38 117.71 1ufz h ARG 33 Ca 0.28 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.39 1ufz h ARG 33 Cb 0.53 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 1ufz h ARG 33 CO -0.97 -0.18 -0.47 1.25 -1.07 0.00 0.00 179.97 178.53 1ufz h LEU 34 N -0.27 -1.53 -1.20 3.04 7.12 0.14 0.18 115.31 122.78 1ufz h LEU 34 Ca 0.15 0.19 0.12 0.00 0.13 0.00 0.00 57.88 58.47 1ufz h LEU 34 Cb 0.51 0.62 -0.07 0.00 -0.53 0.00 0.00 40.66 41.19 1ufz h LEU 34 CO -0.45 -0.37 0.58 1.88 -0.13 0.00 0.00 178.44 179.96 1ufz h TYR 35 N -0.39 0.93 -0.02 1.25 0.05 -0.35 0.43 116.97 118.87 1ufz h TYR 35 Ca 0.05 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.86 1ufz h TYR 35 Cb 0.53 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1ufz h TYR 35 CO -0.66 0.38 0.02 0.77 -1.05 0.00 0.00 178.16 177.63 1ufz h SER 36 N 0.82 0.00 0.46 3.88 0.02 0.29 1.57 113.55 120.59 1ufz h SER 36 Ca 0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 1ufz h SER 36 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1ufz h SER 36 CO -0.21 0.00 -1.61 0.00 -1.14 0.00 0.00 176.83 173.87 1ufz h LEU 38 N 0.00 0.00 -1.10 0.00 5.85 0.23 -3.03 115.31 117.27 1ufz h LEU 38 Ca -0.09 -0.03 0.34 0.00 0.84 0.00 0.00 57.88 58.93 1ufz h LEU 38 Cb 1.26 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.14 1ufz h LEU 38 CO 0.01 0.56 0.62 -0.78 -0.34 0.00 0.00 178.44 178.52 1ufz h ASP 39 N -1.00 0.46 0.00 1.25 3.58 0.19 1.67 116.42 122.57 1ufz h ASP 39 Ca -0.00 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ufz h ASP 39 Cb 0.12 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1ufz h ASP 39 CO -0.00 -0.14 0.00 1.57 -2.88 0.00 0.00 179.24 177.79 1ufz n HIS 40 N -4.97 0.00 0.13 0.28 -0.00 -1.25 -1.85 115.22 107.56 1ufz n HIS 40 Ca 0.32 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.58 1ufz n HIS 40 Cb 1.06 -0.41 0.43 0.00 -0.12 0.00 0.00 29.99 30.95 1ufz n HIS 40 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1ufz n MET 41 N -1.74 0.10 0.15 1.57 2.81 -0.56 -0.11 117.12 119.35 1ufz n MET 41 Ca 0.00 0.59 0.02 0.00 -1.81 0.00 0.00 57.70 56.51 1ufz n MET 41 Cb 0.00 -1.88 0.13 0.00 -0.71 0.00 0.00 33.22 30.76 1ufz n MET 41 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ufz h ARG 42 N 0.00 0.00 0.00 0.03 2.43 0.28 0.32 114.38 117.43 1ufz h ARG 42 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ufz h ARG 42 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ufz h ARG 42 CO 0.00 0.52 -0.85 -1.91 -1.51 0.00 0.00 179.97 176.23 1ufz n GLU 43 N -3.38 0.17 0.00 0.20 0.00 0.85 -2.80 120.64 115.67 1ufz n GLU 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1ufz n GLU 43 Cb 0.67 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.55 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 -1.78 0.00 -0.06 6.31 0.31 -1.02 -4.75 118.33 117.35 1ufz n VAL 44 Ca 0.03 0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.59 1ufz n VAL 44 Cb 0.39 -1.11 -0.15 0.00 -0.91 0.00 0.00 33.84 32.07 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 -1.78 0.25 -0.52 7.52 4.32 -0.59 -4.29 117.00 121.91 1ufz n LEU 45 Ca 0.00 0.11 0.41 0.00 -0.02 0.00 0.00 56.01 56.51 1ufz n LEU 45 Cb 0.00 0.32 0.64 0.00 -1.62 0.00 0.00 43.42 42.76 1ufz n LEU 45 CO 0.00 0.36 1.15 0.61 -1.22 0.00 0.00 177.39 178.29 1ufz n GLY 46 N 1.60 -0.78 0.37 -0.72 0.00 0.10 0.80 105.19 106.56 1ufz n GLY 46 Ca -0.23 0.59 0.34 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.83 0.27 -0.04 1.61 -0.08 -1.17 -2.51 116.55 110.80 1ufz n ASP 47 Ca 0.36 1.45 -0.10 0.00 -1.51 0.00 0.00 54.79 54.99 1ufz n ASP 47 Cb 1.54 -0.71 -0.03 0.00 2.34 0.00 0.00 41.12 44.26 1ufz n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ufz n ALA 48 N -2.41 2.10 -1.77 -1.67 0.00 0.24 -5.01 120.51 112.00 1ufz n ALA 48 Ca 0.37 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1ufz n ALA 48 Cb 1.34 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 21.02 1ufz n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ufz s VAL 49 N -2.32 2.77 0.00 0.00 0.11 -0.97 -5.03 120.40 114.96 1ufz s VAL 49 Ca -0.16 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1ufz s VAL 49 Cb 0.05 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1ufz s VAL 49 CO 0.21 0.14 0.00 -0.81 -3.33 0.00 0.00 175.10 171.31 1ufz n PRO 50 N 0.50 0.69 -0.00 1.54 -0.04 -1.26 -4.08 135.00 132.34 1ufz n PRO 50 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1ufz n PRO 50 Cb 0.43 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.75 1ufz n PRO 50 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ufz h ASP 51 N -0.10 0.17 0.19 3.54 3.32 -1.95 -3.32 116.42 118.27 1ufz h ASP 51 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1ufz h ASP 51 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ufz h ASP 51 CO 0.00 1.32 -0.11 -0.78 -1.72 0.00 0.00 179.24 177.95 1ufz h ASP 52 N 0.03 -0.26 -0.54 6.45 1.82 -1.97 0.36 116.42 122.30 1ufz h ASP 52 Ca -0.31 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1ufz h ASP 52 Cb 2.01 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 42.03 1ufz h ASP 52 CO 0.09 -0.17 -0.32 -0.38 -1.61 0.00 0.00 179.24 176.86 1ufz n ILE 53 N -2.84 -0.37 -0.22 2.25 5.41 -1.26 0.11 119.36 122.44 1ufz n ILE 53 Ca -0.03 1.92 -0.01 0.00 1.00 0.00 0.00 62.75 65.63 1ufz n ILE 53 Cb 0.11 -2.44 0.06 0.00 -0.71 0.00 0.00 39.64 36.67 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 -0.66 0.16 1.39 3.38 -1.64 0.34 115.31 118.28 1ufz h LEU 54 Ca 0.09 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ufz h LEU 54 Cb 0.22 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ufz h LEU 54 CO -0.51 -0.23 -0.16 0.74 0.09 0.00 0.00 178.44 178.38 1ufz h THR 55 N -0.02 0.00 -1.00 0.22 2.02 0.46 -0.59 112.91 114.01 1ufz h THR 55 Ca 0.31 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.83 1ufz h THR 55 Cb 0.49 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.74 1ufz h THR 55 CO -0.68 0.00 0.56 -0.33 0.37 0.00 0.00 175.52 175.44 1ufz h GLU 56 N -0.32 0.25 -0.27 6.66 4.39 0.14 0.94 114.58 126.37 1ufz h GLU 56 Ca -0.02 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ufz h GLU 56 Cb 0.28 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1ufz h GLU 56 CO -0.02 0.16 0.13 0.00 -1.16 0.00 0.00 179.01 178.12 1ufz h ALA 57 N 1.88 0.32 -0.27 3.43 0.00 0.29 0.92 119.26 125.83 1ufz h ALA 57 Ca 0.76 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.74 1ufz h ALA 57 Cb 1.78 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.47 1ufz h ALA 57 CO -0.64 -0.27 -0.19 0.82 0.00 0.00 0.00 179.25 178.97 1ufz h ILE 58 N 0.27 0.48 0.00 0.00 2.04 0.25 0.25 117.51 120.80 1ufz h ILE 58 Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1ufz h ILE 58 Cb 0.04 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1ufz h ILE 58 CO -0.08 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.71 1ufz h LEU 59 N -0.17 0.00 -2.07 1.44 -0.00 -0.86 0.28 115.31 113.93 1ufz h LEU 59 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1ufz h LEU 59 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1ufz h LEU 59 CO -0.37 0.29 0.05 0.50 -0.00 0.00 0.00 178.44 178.90 1ufz h LYS 60 N 0.00 0.00 0.00 1.13 1.63 0.44 -1.23 116.57 118.53 1ufz h LYS 60 Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1ufz h LYS 60 Cb 0.60 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.09 1ufz h LYS 60 CO 0.04 0.00 -0.69 0.72 -3.45 0.00 0.00 179.45 176.07 1ufz n HIS 61 N -2.62 0.00 -3.44 1.91 8.25 -0.60 -5.05 115.22 113.68 1ufz n HIS 61 Ca -0.02 -0.18 -0.36 0.00 -0.26 0.00 0.00 57.72 56.90 1ufz n HIS 61 Cb 0.09 -0.08 0.04 0.00 1.12 0.00 0.00 29.99 31.16 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 0.18 -1.98 -3.18 -0.41 3.00 0.39 -3.67 118.16 112.49 1ufz n LYS 62 Ca 0.02 1.50 -0.15 0.00 -0.00 0.00 0.00 58.31 59.68 1ufz n LYS 62 Cb 0.86 -2.46 0.02 0.00 0.00 0.00 0.00 35.03 33.44 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 -0.23 -2.07 -2.83 5.64 3.01 0.70 -4.96 117.46 116.72 1ufz n PHE 63 Ca -0.07 0.88 -0.11 0.00 1.01 0.00 0.00 57.45 59.16 1ufz n PHE 63 Cb 0.66 -2.18 0.06 0.00 -0.01 0.00 0.00 39.48 38.01 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 0.45 -1.22 -0.40 4.37 -0.08 -1.24 -5.00 116.55 113.43 1ufz n ASP 64 Ca -0.01 -3.25 -0.08 0.00 -1.51 0.00 0.00 54.79 49.93 1ufz n ASP 64 Cb 0.48 0.98 -0.06 0.00 2.34 0.00 0.00 41.12 44.87 1ufz n ASP 64 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ufz h VAL 65 N 2.36 0.00 -1.17 5.18 2.07 -1.92 1.84 116.25 124.61 1ufz h VAL 65 Ca -0.08 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.85 1ufz h VAL 65 Cb 1.11 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 1ufz h VAL 65 CO 0.21 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.54 1ufz n GLN 66 N -5.32 -0.04 -0.10 1.57 1.13 -1.26 0.24 117.38 113.60 1ufz n GLN 66 Ca 0.04 1.13 -0.17 0.00 -1.94 0.00 0.00 57.00 56.06 1ufz n GLN 66 Cb 0.30 -2.18 -0.07 0.00 0.11 0.00 0.00 30.24 28.40 1ufz n GLN 66 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ufz n LYS 67 N -4.55 0.53 -0.37 -1.09 0.00 0.52 -3.46 118.16 109.73 1ufz n LYS 67 Ca 0.35 0.46 0.38 0.00 0.00 0.00 0.00 58.31 59.50 1ufz n LYS 67 Cb 1.35 -1.65 0.76 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.80 3.22 -0.02 3.14 0.00 0.44 0.71 119.26 125.96 1ufz h ALA 68 Ca -0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ufz h ALA 68 Cb 1.08 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ufz h ALA 68 CO -0.16 -1.59 -0.08 -0.07 0.00 0.00 0.00 179.25 177.35 1ufz h LEU 69 N 0.00 0.09 -2.01 0.00 3.38 0.29 1.46 115.31 118.53 1ufz h LEU 69 Ca 0.61 -0.66 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1ufz h LEU 69 Cb 2.47 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 43.17 1ufz h LEU 69 CO -0.01 0.74 0.40 -1.28 0.09 0.00 0.00 178.44 178.39 1ufz h SER 70 N -0.55 0.00 0.03 -0.43 0.87 0.33 0.68 113.55 114.48 1ufz h SER 70 Ca -0.01 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.24 1ufz h SER 70 Cb 0.74 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 1ufz h SER 70 CO 0.02 0.00 -1.72 0.52 -0.53 0.00 0.00 176.83 175.12 1ufz n VAL 71 N -4.28 1.59 0.16 2.23 0.31 -0.26 -1.72 118.33 116.36 1ufz n VAL 71 Ca 0.10 -0.26 0.18 0.00 -0.01 0.00 0.00 64.34 64.35 1ufz n VAL 71 Cb 0.63 -1.91 0.79 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.69 0.45 0.00 2.52 2.07 0.28 0.23 116.25 121.12 1ufz h VAL 72 Ca -0.44 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 66.80 1ufz h VAL 72 Cb 1.56 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1ufz h VAL 72 CO -0.17 0.00 -1.56 0.00 0.02 0.00 0.00 177.57 175.86 1ufz n LEU 73 N -3.81 1.88 -0.21 2.57 -0.00 0.23 -2.62 117.00 115.04 1ufz n LEU 73 Ca 0.04 0.40 0.29 0.00 -0.00 0.00 0.00 56.01 56.75 1ufz n LEU 73 Cb 0.44 -0.93 0.72 0.00 -0.00 0.00 0.00 43.42 43.64 1ufz n LEU 73 CO 0.28 0.34 1.27 -0.08 -0.00 0.00 0.00 177.39 179.20 1ufz h GLU 74 N -1.00 0.02 0.00 1.47 4.81 -0.55 0.43 114.58 119.76 1ufz h GLU 74 Ca -0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ufz h GLU 74 Cb 1.37 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1ufz h GLU 74 CO -0.26 0.01 -0.22 0.37 -0.73 0.00 0.00 179.01 178.18 1ufz h GLN 75 N 0.02 0.00 -0.82 1.92 5.75 -0.72 -3.37 115.11 117.89 1ufz h GLN 75 Ca 0.46 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 59.15 1ufz h GLN 75 Cb 1.80 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 30.20 1ufz h GLN 75 CO -0.02 0.00 -0.01 0.22 -2.65 0.00 0.00 178.83 176.37 1ufz h ASP 76 N -0.97 -0.41 -1.54 -0.69 3.58 -1.16 1.01 116.42 116.23 1ufz h ASP 76 Ca 0.00 0.22 0.45 0.00 0.42 0.00 0.00 57.03 58.12 1ufz h ASP 76 Cb 0.22 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 41.60 1ufz h ASP 76 CO 0.00 -0.22 1.28 1.23 -2.88 0.00 0.00 179.24 178.65 1ufz h GLY 77 N 0.08 0.00 0.29 -0.78 0.00 -0.32 0.65 103.07 102.99 1ufz h GLY 77 Ca 0.45 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.85 1ufz h GLY 77 CO -0.74 0.00 -0.12 0.23 0.00 0.00 0.00 176.54 175.91 1ufz h SER 78 N 0.00 -0.41 0.00 0.19 0.87 0.90 -3.02 113.55 112.09 1ufz h SER 78 Ca 0.73 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.40 1ufz h SER 78 Cb 3.28 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 65.48 1ufz h SER 78 CO -0.01 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 1ufz n GLY 79 N -1.30 -3.12 2.84 5.77 0.00 0.23 -2.46 105.19 107.15 1ufz n GLY 79 Ca 0.00 0.51 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.43 2.26 -3.82 1.61 -0.04 -1.14 -4.81 135.00 126.64 1ufz n PRO 80 Ca 0.00 -2.12 -0.09 0.00 -0.04 0.00 0.00 63.50 61.25 1ufz n PRO 80 Cb 0.00 -3.00 -0.07 0.00 -0.04 0.00 0.00 33.50 30.39 1ufz n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ufz s SER 81 N 3.91 0.04 0.14 3.54 0.15 -1.03 -4.97 113.70 115.48 1ufz s SER 81 Ca 0.53 -0.54 -0.33 0.00 0.70 0.00 0.00 55.95 56.30 1ufz s SER 81 Cb 0.14 0.36 -0.13 0.00 -1.71 0.00 0.00 66.02 64.68 1ufz s SER 81 CO 0.01 -0.72 1.66 -1.54 1.20 0.00 0.00 173.24 173.85 1ufz n SER 82 N 0.03 3.37 0.00 5.45 3.41 -1.26 -5.08 113.62 119.54 1ufz n SER 82 Ca -0.16 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1ufz n SER 82 Cb 0.62 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49