#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 7.09 0.04 1.61 0.15 -1.26 -5.02 113.70 116.30 1ufz s SER 2 Ca 0.00 2.30 -0.20 0.00 0.70 0.00 0.00 55.95 58.74 1ufz s SER 2 Cb 0.00 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1ufz s SER 2 CO 0.00 -0.34 0.47 -0.94 1.20 0.00 0.00 173.24 173.63 1ufz s SER 3 N -0.16 -0.37 -0.20 5.45 1.04 -1.26 -5.17 113.70 113.03 1ufz s SER 3 Ca 0.51 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 1ufz s SER 3 Cb -0.33 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1ufz s SER 3 CO 0.39 -0.68 0.51 -0.83 0.98 0.00 0.00 173.24 173.61 1ufz s GLY 4 N -1.93 -0.42 0.00 7.32 0.00 -1.26 -5.01 107.32 106.02 1ufz s GLY 4 Ca -0.06 1.74 0.00 0.00 0.00 0.00 0.00 44.72 46.40 1ufz s GLY 4 CO -0.01 1.75 0.00 1.44 0.00 0.00 0.00 173.10 176.28 1ufz n SER 5 N 3.90 0.00 0.00 1.64 7.64 -1.26 -5.05 113.62 120.49 1ufz n SER 5 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1ufz n SER 5 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1ufz n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ufz n SER 6 N 0.00 0.00 -0.98 6.43 7.64 -1.26 -4.84 113.62 120.61 1ufz n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ufz n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ufz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufz n GLY 7 N 0.00 -3.98 0.10 0.23 0.00 -1.26 -4.81 105.19 95.47 1ufz n GLY 7 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1ufz n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ufz n GLU 8 N -0.99 0.54 -0.25 1.61 1.02 -1.26 -4.37 120.64 116.94 1ufz n GLU 8 Ca 0.00 0.49 0.05 0.00 -0.02 0.00 0.00 57.16 57.68 1ufz n GLU 8 Cb 0.01 -1.68 0.16 0.00 -0.02 0.00 0.00 31.44 29.92 1ufz n GLU 8 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1ufz h TYR 9 N -1.00 0.06 -0.39 -0.32 -1.99 -2.00 -2.26 116.97 109.06 1ufz h TYR 9 Ca -0.30 0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.52 1ufz h TYR 9 Cb 1.14 0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.91 1ufz h TYR 9 CO -0.04 -0.19 -0.23 0.41 -0.00 0.00 0.00 178.16 178.11 1ufz n GLY 10 N -1.39 -2.83 0.35 3.88 0.00 -1.26 0.18 105.19 104.12 1ufz n GLY 10 Ca 0.13 0.80 -0.02 0.00 0.00 0.00 0.00 46.02 46.94 1ufz n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ufz n TYR 11 N -3.87 -0.04 0.01 1.61 4.02 -0.85 -0.00 117.16 118.03 1ufz n TYR 11 Ca 0.01 1.11 -0.12 0.00 -0.01 0.00 0.00 57.90 58.89 1ufz n TYR 11 Cb 0.10 -0.80 -0.08 0.00 -0.02 0.00 0.00 39.34 38.54 1ufz n TYR 11 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ufz h GLU 12 N 0.00 0.02 -0.75 -0.72 5.08 -0.86 -2.87 114.58 114.47 1ufz h GLU 12 Ca 0.29 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1ufz h GLU 12 Cb 0.51 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.63 1ufz h GLU 12 CO -0.89 0.28 -0.39 -0.44 -1.00 0.00 0.00 179.01 176.57 1ufz h ASP 13 N -0.25 -1.38 -0.50 1.42 3.32 0.56 0.45 116.42 120.04 1ufz h ASP 13 Ca 0.00 0.27 0.10 0.00 0.02 0.00 0.00 57.03 57.42 1ufz h ASP 13 Cb 0.27 0.68 -0.10 0.00 0.22 0.00 0.00 39.33 40.41 1ufz h ASP 13 CO 0.00 -0.30 -0.17 -0.07 -1.72 0.00 0.00 179.24 176.98 1ufz h LEU 14 N -0.11 -0.59 -2.84 1.55 4.07 -0.40 -3.47 115.31 113.51 1ufz h LEU 14 Ca 0.26 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1ufz h LEU 14 Cb 0.56 0.36 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 1ufz h LEU 14 CO -0.81 -0.20 -0.99 -1.14 -1.08 0.00 0.00 178.44 174.22 1ufz n ARG 15 N -5.39 -1.69 -1.22 1.13 0.63 0.16 -4.75 116.66 105.53 1ufz n ARG 15 Ca 0.04 1.66 -0.00 0.00 -0.92 0.00 0.00 57.85 58.63 1ufz n ARG 15 Cb 0.29 -2.85 -0.00 0.00 0.45 0.00 0.00 32.46 30.35 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 1.09 -0.54 -3.65 -0.14 2.13 -1.26 -5.13 120.64 113.15 1ufz n GLU 16 Ca -0.01 0.84 -0.02 0.00 0.66 0.00 0.00 57.16 58.63 1ufz n GLU 16 Cb 0.29 -1.02 -0.05 0.00 0.27 0.00 0.00 31.44 30.92 1ufz n GLU 16 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ufz s SER 17 N -0.06 -0.02 0.07 4.31 0.15 -1.26 -5.06 113.70 111.83 1ufz s SER 17 Ca -0.01 0.03 -0.15 0.00 0.70 0.00 0.00 55.95 56.52 1ufz s SER 17 Cb 0.00 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1ufz s SER 17 CO 0.01 -0.01 1.26 -1.28 1.20 0.00 0.00 173.24 174.42 1ufz h SER 18 N 2.41 -1.01 -5.43 5.45 0.87 -2.01 -3.47 113.55 110.36 1ufz h SER 18 Ca -0.15 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1ufz h SER 18 Cb 1.19 0.44 -0.09 0.00 -0.44 0.00 0.00 62.40 63.51 1ufz h SER 18 CO 0.20 -0.12 -1.04 -3.20 -0.53 0.00 0.00 176.83 172.15 1ufz n ASN 19 N -4.06 -3.08 -0.31 6.23 5.15 -1.26 -3.97 115.26 113.96 1ufz n ASN 19 Ca 0.01 1.21 0.16 0.00 -0.60 0.00 0.00 54.58 55.35 1ufz n ASN 19 Cb 0.13 -3.94 0.34 0.00 -0.53 0.00 0.00 39.78 35.78 1ufz n ASN 19 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1ufz h SER 20 N 4.44 0.06 0.11 1.20 4.64 -2.00 0.87 113.55 122.88 1ufz h SER 20 Ca -0.36 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1ufz h SER 20 Cb 0.83 0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1ufz h SER 20 CO 0.01 -0.18 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.25 1ufz h LEU 21 N 0.20 -1.40 -0.52 5.97 3.38 -1.99 0.84 115.31 121.79 1ufz h LEU 21 Ca 0.60 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.77 1ufz h LEU 21 Cb 1.28 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 42.46 1ufz h LEU 21 CO -0.68 -0.49 -0.48 0.25 0.09 0.00 0.00 178.44 177.13 1ufz h LEU 22 N -0.66 -1.68 -0.84 1.67 6.46 -1.06 0.24 115.31 119.45 1ufz h LEU 22 Ca -0.01 0.23 0.16 0.00 -0.12 0.00 0.00 57.88 58.14 1ufz h LEU 22 Cb 0.66 0.71 -0.15 0.00 -0.73 0.00 0.00 40.66 41.15 1ufz h LEU 22 CO -0.25 -0.29 -0.27 -1.13 -0.62 0.00 0.00 178.44 175.88 1ufz h ASN 23 N -0.22 -0.98 -0.91 1.25 -0.73 -0.93 0.41 115.58 113.47 1ufz h ASN 23 Ca 0.09 0.26 0.15 0.00 1.87 0.00 0.00 56.30 58.67 1ufz h ASN 23 Cb 0.45 0.58 -0.15 0.00 0.27 0.00 0.00 38.32 39.47 1ufz h ASN 23 CO -0.61 -0.29 -0.37 -0.74 -0.37 0.00 0.00 177.43 175.06 1ufz h HIS 24 N -0.03 -1.01 -1.06 0.67 2.76 0.19 1.24 115.15 117.92 1ufz h HIS 24 Ca 0.37 0.10 0.42 0.00 -2.20 0.00 0.00 60.37 59.06 1ufz h HIS 24 Cb 0.61 0.57 -0.17 0.00 1.55 0.00 0.00 27.41 29.97 1ufz h HIS 24 CO -0.70 -0.40 0.59 0.37 -1.30 0.00 0.00 177.93 176.49 1ufz h GLN 25 N -0.03 0.02 -4.38 5.26 5.75 0.36 -3.46 115.11 118.63 1ufz h GLN 25 Ca 0.33 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1ufz h GLN 25 Cb 0.59 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1ufz h GLN 25 CO -0.92 0.01 -0.94 1.28 -2.65 0.00 0.00 178.83 175.61 1ufz n LEU 26 N -5.17 -6.15 -4.46 -2.39 4.77 0.43 -4.81 117.00 99.22 1ufz n LEU 26 Ca 0.38 3.08 -0.44 0.00 -0.03 0.00 0.00 56.01 59.00 1ufz n LEU 26 Cb 1.31 -3.13 -0.01 0.00 -2.33 0.00 0.00 43.42 39.26 1ufz n LEU 26 CO 0.04 -2.05 0.13 -1.54 -1.33 0.00 0.00 177.39 172.64 1ufz n SER 27 N 1.84 -0.61 -0.39 -1.43 3.41 -1.26 -4.12 113.62 111.05 1ufz n SER 27 Ca 0.00 1.04 -0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1ufz n SER 27 Cb 0.00 -1.09 -0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1ufz n SER 27 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ufz n GLU 28 N 0.81 -0.29 -0.04 4.33 2.13 -1.26 0.12 120.64 126.44 1ufz n GLU 28 Ca 0.13 1.51 -0.14 0.00 0.66 0.00 0.00 57.16 59.32 1ufz n GLU 28 Cb 0.33 -2.24 -0.09 0.00 0.27 0.00 0.00 31.44 29.72 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 0.03 -0.14 6.31 1.08 -2.00 -0.15 117.51 122.63 1ufz h ILE 29 Ca 0.29 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.80 1ufz h ILE 29 Cb 0.53 0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 1ufz h ILE 29 CO -0.96 0.00 -0.18 0.44 -0.69 0.00 0.00 178.15 176.75 1ufz h ASP 30 N -0.52 -0.57 -1.00 1.72 3.32 -0.86 -2.37 116.42 116.15 1ufz h ASP 30 Ca 0.06 0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.31 1ufz h ASP 30 Cb 0.65 0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 1ufz h ASP 30 CO -0.48 -0.23 -0.56 0.00 -1.72 0.00 0.00 179.24 176.25 1ufz n GLN 31 N -5.33 -0.41 -0.17 3.56 6.02 0.33 0.16 117.38 121.55 1ufz n GLN 31 Ca -0.03 1.51 -0.08 0.00 -0.01 0.00 0.00 57.00 58.39 1ufz n GLN 31 Cb 0.24 -2.22 -0.07 0.00 1.02 0.00 0.00 30.24 29.21 1ufz n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ufz h ALA 32 N 0.63 -0.50 -0.57 -1.58 0.00 -0.55 0.48 119.26 117.17 1ufz h ALA 32 Ca 0.19 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1ufz h ALA 32 Cb 0.44 1.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 1ufz h ALA 32 CO -0.95 -0.72 -0.15 0.00 0.00 0.00 0.00 179.25 177.43 1ufz h ARG 33 N -0.15 -0.01 -0.12 0.00 3.08 -0.73 1.18 114.38 117.64 1ufz h ARG 33 Ca 0.07 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1ufz h ARG 33 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1ufz h ARG 33 CO -0.49 -0.01 -0.41 1.25 -1.07 0.00 0.00 179.97 179.25 1ufz h LEU 34 N -0.01 -1.26 -0.88 3.04 7.12 0.23 0.71 115.31 124.27 1ufz h LEU 34 Ca 0.27 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.43 1ufz h LEU 34 Cb 0.42 0.52 -0.04 0.00 -0.53 0.00 0.00 40.66 41.03 1ufz h LEU 34 CO -0.59 -0.42 0.48 1.88 -0.13 0.00 0.00 178.44 179.66 1ufz h TYR 35 N -0.48 1.21 0.00 1.25 0.05 0.13 1.07 116.97 120.20 1ufz h TYR 35 Ca 0.08 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1ufz h TYR 35 Cb 0.62 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1ufz h TYR 35 CO -0.47 0.84 -0.02 0.77 -1.05 0.00 0.00 178.16 178.23 1ufz h SER 36 N 1.23 0.00 0.05 3.88 0.02 0.27 0.44 113.55 119.45 1ufz h SER 36 Ca 0.31 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.89 1ufz h SER 36 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1ufz h SER 36 CO -0.05 0.02 -2.12 0.00 -1.14 0.00 0.00 176.83 173.54 1ufz h LEU 38 N -0.21 -1.14 -0.98 0.00 6.46 0.15 -2.10 115.31 117.48 1ufz h LEU 38 Ca -0.50 0.09 0.19 0.00 -0.12 0.00 0.00 57.88 57.54 1ufz h LEU 38 Cb 1.85 0.37 -0.19 0.00 -0.73 0.00 0.00 40.66 41.96 1ufz h LEU 38 CO -0.07 -0.60 -0.25 0.44 -0.62 0.00 0.00 178.44 177.34 1ufz h ASP 39 N -0.92 -0.94 0.00 1.25 3.32 -1.13 1.84 116.42 119.84 1ufz h ASP 39 Ca -0.05 0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1ufz h ASP 39 Cb 0.79 0.62 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1ufz h ASP 39 CO -0.02 -0.32 0.00 1.57 -1.72 0.00 0.00 179.24 178.74 1ufz n HIS 40 N -5.61 0.00 0.27 4.55 -0.00 -0.84 -1.05 115.22 112.53 1ufz n HIS 40 Ca 0.15 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.46 1ufz n HIS 40 Cb 0.49 -0.20 0.68 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 0.00 0.00 1.57 4.05 -0.72 0.95 114.93 120.78 1ufz h MET 41 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 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 -0.07 0.00 0.23 0.00 0.00 176.91 177.07 1ufz h ARG 42 N 0.00 0.00 0.00 0.39 2.47 0.42 0.13 114.38 117.80 1ufz h ARG 42 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ufz h ARG 42 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1ufz h ARG 42 CO 0.00 0.07 -1.19 -1.91 0.56 0.00 0.00 179.97 177.50 1ufz n GLU 43 N -3.14 0.43 0.00 0.04 0.00 0.33 -2.92 120.64 115.37 1ufz n GLU 43 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1ufz n GLU 43 Cb 0.45 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.25 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 -2.19 0.00 -0.01 6.31 0.31 -1.05 -4.63 118.33 117.06 1ufz n VAL 44 Ca 0.00 0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 64.54 1ufz n VAL 44 Cb 0.49 -1.26 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 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 -1.98 1.94 -0.58 7.52 4.32 -0.33 -4.07 117.00 123.82 1ufz n LEU 45 Ca 0.00 0.27 0.44 0.00 -0.02 0.00 0.00 56.01 56.70 1ufz n LEU 45 Cb 0.00 -0.60 0.68 0.00 -1.62 0.00 0.00 43.42 41.88 1ufz n LEU 45 CO 0.00 0.68 1.23 0.61 -1.22 0.00 0.00 177.39 178.69 1ufz n GLY 46 N 1.83 -0.82 0.38 -0.72 0.00 0.31 -0.10 105.19 106.08 1ufz n GLY 46 Ca -0.27 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.77 -0.06 1.61 9.92 -1.15 -3.40 116.55 118.97 1ufz n ASP 47 Ca 0.37 1.69 -0.10 0.00 -0.53 0.00 0.00 54.79 56.23 1ufz n ASP 47 Cb 1.66 -0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 41.76 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 -3.41 1.80 -1.77 2.24 0.00 0.86 -5.00 120.51 115.22 1ufz n ALA 48 Ca 0.07 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.59 1ufz n ALA 48 Cb 0.33 0.23 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 2.76 0.00 0.00 1.01 0.58 -5.03 120.40 117.47 1ufz s VAL 49 Ca -0.17 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ufz s VAL 49 Cb 0.05 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1ufz s VAL 49 CO 0.28 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.63 1ufz n PRO 50 N -0.11 0.62 -0.10 2.72 -0.04 -1.26 -3.87 135.00 132.95 1ufz n PRO 50 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1ufz n PRO 50 Cb 0.45 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.76 1.86 -0.18 3.54 5.75 -1.26 -3.99 116.55 121.51 1ufz n ASP 51 Ca 0.00 0.47 -0.05 0.00 -0.01 0.00 0.00 54.79 55.20 1ufz n ASP 51 Cb 0.00 -0.90 -0.04 0.00 -1.03 0.00 0.00 41.12 39.14 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 -4.46 -0.45 -0.37 -1.12 8.00 -1.26 0.20 116.55 117.09 1ufz n ASP 52 Ca -0.27 1.28 0.01 0.00 0.71 0.00 0.00 54.79 56.52 1ufz n ASP 52 Cb 0.58 -0.36 0.08 0.00 -0.02 0.00 0.00 41.12 41.39 1ufz n ASP 52 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ufz h ILE 53 N 0.00 0.00 0.78 0.53 2.04 -1.98 0.84 117.51 119.72 1ufz h ILE 53 Ca 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1ufz h ILE 53 Cb 0.17 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1ufz h ILE 53 CO -0.40 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.31 1ufz h LEU 54 N -0.00 -0.88 -0.77 1.44 3.38 -0.03 -1.89 115.31 116.55 1ufz h LEU 54 Ca 0.39 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.52 1ufz h LEU 54 Cb 0.64 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 1ufz h LEU 54 CO -1.00 -0.59 -0.32 0.74 0.09 0.00 0.00 178.44 177.35 1ufz h THR 55 N -1.11 0.12 -0.80 0.22 2.02 0.54 0.66 112.91 114.56 1ufz h THR 55 Ca -0.11 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.20 1ufz h THR 55 Cb 0.81 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 1ufz h THR 55 CO 0.18 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 176.13 1ufz h GLU 56 N -0.07 0.58 -0.84 6.66 4.39 0.67 0.14 114.58 126.11 1ufz h GLU 56 Ca 0.31 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.07 1ufz h GLU 56 Cb 0.58 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1ufz h GLU 56 CO -0.82 0.38 0.48 0.00 -1.16 0.00 0.00 179.01 177.90 1ufz h ALA 57 N 1.52 1.20 0.54 3.43 0.00 0.11 0.60 119.26 126.66 1ufz h ALA 57 Ca 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1ufz h ALA 57 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ufz h ALA 57 CO -0.34 0.11 -0.29 0.82 0.00 0.00 0.00 179.25 179.54 1ufz h ILE 58 N 0.81 0.40 0.00 0.00 2.04 0.37 -0.38 117.51 120.74 1ufz h ILE 58 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1ufz h ILE 58 Cb 0.38 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1ufz h ILE 58 CO -0.25 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.08 1ufz n LEU 59 N -5.43 0.53 0.22 1.44 7.99 -0.70 -0.42 117.00 120.62 1ufz n LEU 59 Ca -0.12 0.69 0.15 0.00 -0.01 0.00 0.00 56.01 56.72 1ufz n LEU 59 Cb 0.33 -0.69 0.56 0.00 -0.11 0.00 0.00 43.42 43.50 1ufz n LEU 59 CO 0.36 -0.74 0.93 0.50 -1.51 0.00 0.00 177.39 176.93 1ufz h LYS 60 N 0.00 0.00 -0.10 3.23 1.63 0.19 -3.16 116.57 118.36 1ufz h LYS 60 Ca 0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1ufz h LYS 60 Cb 0.15 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 31.42 1ufz h LYS 60 CO 0.00 0.00 -0.97 0.72 -3.45 0.00 0.00 179.45 175.75 1ufz n HIS 61 N -2.83 0.23 -3.84 1.91 8.25 0.24 -5.02 115.22 114.16 1ufz n HIS 61 Ca 0.02 -0.93 -0.29 0.00 -0.26 0.00 0.00 57.72 56.26 1ufz n HIS 61 Cb 0.32 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 0.13 -1.20 -2.79 -0.41 0.00 -0.19 -3.52 118.16 110.18 1ufz n LYS 62 Ca 0.02 0.55 -0.00 0.00 0.00 0.00 0.00 58.31 58.89 1ufz n LYS 62 Cb 1.02 -2.17 -0.00 0.00 0.00 0.00 0.00 35.03 33.88 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 -3.13 -3.44 -2.74 5.64 3.01 0.43 -4.98 117.46 112.25 1ufz n PHE 63 Ca -0.27 1.54 -0.08 0.00 1.01 0.00 0.00 57.45 59.65 1ufz n PHE 63 Cb 0.64 -3.58 0.06 0.00 -0.01 0.00 0.00 39.48 36.59 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 0.82 -2.69 -0.33 4.37 -0.08 -1.23 -5.01 116.55 112.39 1ufz n ASP 64 Ca -0.01 -3.29 -0.01 0.00 -1.51 0.00 0.00 54.79 49.97 1ufz n ASP 64 Cb 0.09 1.79 0.05 0.00 2.34 0.00 0.00 41.12 45.38 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 2.88 0.05 -1.13 5.18 2.07 -1.92 1.77 116.25 125.16 1ufz h VAL 65 Ca -0.15 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.76 1ufz h VAL 65 Cb 1.06 0.05 -0.15 0.00 -1.52 0.00 0.00 31.29 30.73 1ufz h VAL 65 CO 0.26 0.00 0.68 1.56 0.02 0.00 0.00 177.57 180.09 1ufz h GLN 66 N -0.04 0.15 0.00 1.57 4.20 -1.98 1.76 115.11 120.77 1ufz h GLN 66 Ca 0.33 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.88 1ufz h GLN 66 Cb 0.60 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1ufz h GLN 66 CO -0.91 0.10 -0.93 -0.22 -0.67 0.00 0.00 178.83 176.20 1ufz h LYS 67 N 0.15 0.00 -1.02 1.46 3.11 0.17 -2.78 116.57 117.66 1ufz h LYS 67 Ca 0.79 0.00 0.26 0.00 -2.81 0.00 0.00 60.65 58.89 1ufz h LYS 67 Cb 2.17 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 33.28 1ufz h LYS 67 CO -0.56 0.86 0.62 0.00 -2.81 0.00 0.00 179.45 177.55 1ufz h ALA 68 N -0.48 1.91 -0.08 5.00 0.00 0.33 0.90 119.26 126.85 1ufz h ALA 68 Ca -0.24 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1ufz h ALA 68 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ufz h ALA 68 CO -0.15 -0.38 -0.30 -0.07 0.00 0.00 0.00 179.25 178.35 1ufz h LEU 69 N 0.52 0.40 -2.12 0.00 3.38 0.24 1.56 115.31 119.30 1ufz h LEU 69 Ca 0.64 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ufz h LEU 69 Cb 1.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ufz h LEU 69 CO -0.44 0.96 0.04 0.28 0.09 0.00 0.00 178.44 179.38 1ufz h SER 70 N -0.13 0.00 0.05 -0.43 0.02 -0.13 0.40 113.55 113.33 1ufz h SER 70 Ca -0.02 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 1ufz h SER 70 Cb 0.94 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1ufz h SER 70 CO 0.06 0.00 -1.76 0.52 -1.14 0.00 0.00 176.83 174.52 1ufz n VAL 71 N -4.32 1.63 0.20 2.27 0.31 0.27 -3.14 118.33 115.56 1ufz n VAL 71 Ca -0.02 -0.35 0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1ufz n VAL 71 Cb 0.14 -1.86 0.56 0.00 -0.91 0.00 0.00 33.84 31.77 1ufz n VAL 71 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ufz n VAL 72 N -3.95 1.02 0.02 2.52 0.31 0.53 0.43 118.33 119.21 1ufz n VAL 72 Ca -0.35 0.65 -0.22 0.00 -0.01 0.00 0.00 64.34 64.41 1ufz n VAL 72 Cb 0.87 -1.64 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 1ufz n VAL 72 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ufz h LEU 73 N 0.00 0.46 -0.38 7.52 3.38 -0.33 -3.33 115.31 122.63 1ufz h LEU 73 Ca 0.00 -0.95 -0.03 0.00 0.09 0.00 0.00 57.88 56.99 1ufz h LEU 73 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ufz h LEU 73 CO 0.00 1.84 -0.16 1.05 0.09 0.00 0.00 178.44 181.27 1ufz h GLU 74 N 0.08 0.00 0.00 1.13 -0.00 -1.04 -3.05 114.58 111.70 1ufz h GLU 74 Ca -0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 58.86 1ufz h GLU 74 Cb 2.05 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.79 1ufz h GLU 74 CO 0.11 0.16 -0.42 0.37 -0.00 0.00 0.00 179.01 179.22 1ufz h GLN 75 N 0.00 0.00 -0.06 1.06 -0.00 -0.15 -2.99 115.11 112.97 1ufz h GLN 75 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1ufz h GLN 75 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.47 1ufz h GLN 75 CO 0.02 0.42 -0.08 -0.44 0.00 0.00 0.00 178.83 178.75 1ufz h ASP 76 N 0.00 0.18 -0.94 -0.69 5.19 -1.63 -2.94 116.42 115.58 1ufz h ASP 76 Ca -0.00 -0.52 0.27 0.00 -0.62 0.00 0.00 57.03 56.16 1ufz h ASP 76 Cb 0.75 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.18 1ufz h ASP 76 CO 0.05 0.66 0.81 1.23 -3.12 0.00 0.00 179.24 178.88 1ufz h GLY 77 N -0.30 0.00 0.51 2.75 0.00 -1.56 0.57 103.07 105.04 1ufz h GLY 77 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.48 1ufz h GLY 77 CO 0.02 0.00 0.58 0.23 0.00 0.00 0.00 176.54 177.37 1ufz h SER 78 N 0.00 0.66 0.02 0.19 0.87 -1.49 -2.86 113.55 110.95 1ufz h SER 78 Ca 0.45 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1ufz h SER 78 Cb 2.07 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.94 1ufz h SER 78 CO -0.00 0.33 -0.01 1.23 -0.53 0.00 0.00 176.83 177.84 1ufz h GLY 79 N 0.70 -0.38 -5.95 5.77 0.00 -0.01 -3.24 103.07 99.96 1ufz h GLY 79 Ca 0.45 0.16 -0.62 0.00 0.00 0.00 0.00 47.33 47.32 1ufz h GLY 79 CO -0.21 -0.14 2.83 -1.55 0.00 0.00 0.00 176.54 177.47 1ufz n PRO 80 N -2.23 2.33 0.16 4.80 -0.04 -1.08 -3.64 135.00 135.30 1ufz n PRO 80 Ca -0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1ufz n PRO 80 Cb 0.01 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1ufz n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ufz n SER 81 N 5.95 -1.42 -0.09 3.54 2.88 -1.22 -4.98 113.62 118.27 1ufz n SER 81 Ca 0.53 0.58 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 1ufz n SER 81 Cb 0.33 1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 65.24 1ufz n SER 81 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ufz n SER 82 N -3.38 1.89 -0.67 -3.46 7.64 -1.24 -5.16 113.62 109.24 1ufz n SER 82 Ca 0.00 0.38 0.08 0.00 1.01 0.00 0.00 58.87 60.34 1ufz n SER 82 Cb 0.00 -0.76 0.07 0.00 -1.01 0.00 0.00 64.21 62.51 1ufz n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64