#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 2.84 -3.07 1.61 3.41 -1.26 -4.98 113.62 112.17 1ufz n SER 2 Ca 0.00 1.10 0.05 0.00 -0.26 0.00 0.00 58.87 59.76 1ufz n SER 2 Cb 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.41 1ufz n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ufz s SER 3 N -0.54 -0.18 0.00 4.04 1.04 -1.26 -5.17 113.70 111.64 1ufz s SER 3 Ca 0.62 0.00 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1ufz s SER 3 Cb -0.48 0.96 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1ufz s SER 3 CO 0.57 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.37 1ufz n GLY 4 N 4.79 3.85 3.61 7.32 0.00 -1.26 -5.19 105.19 118.31 1ufz n GLY 4 Ca 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.17 -0.27 1.61 0.15 -1.26 -5.18 113.70 108.58 1ufz s SER 5 Ca 0.00 0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.55 1ufz s SER 5 Cb 0.00 0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.58 1ufz s SER 5 CO 0.00 -0.18 1.03 -0.44 1.20 0.00 0.00 173.24 174.85 1ufz s SER 6 N -1.26 -0.43 0.00 5.45 0.01 -1.26 -5.07 113.70 111.13 1ufz s SER 6 Ca 0.05 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1ufz s SER 6 Cb -0.01 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.03 1ufz s SER 6 CO -0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1ufz n GLY 7 N 2.04 -0.87 0.50 3.44 0.00 -1.26 -4.91 105.19 104.13 1ufz n GLY 7 Ca -0.12 0.34 0.31 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.28 1.61 4.11 -2.02 0.36 114.58 118.37 1ufz h GLU 8 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1ufz h GLU 8 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ufz h GLU 8 CO 0.00 0.00 0.17 1.88 0.07 0.00 0.00 179.01 181.13 1ufz h TYR 9 N 0.00 0.33 -0.31 2.06 0.05 -1.98 -2.88 116.97 114.25 1ufz h TYR 9 Ca 0.47 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.30 1ufz h TYR 9 Cb 2.12 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 39.69 1ufz h TYR 9 CO 0.00 0.20 -0.43 0.78 -1.05 0.00 0.00 178.16 177.66 1ufz h GLY 10 N 0.36 -1.23 -0.51 3.88 0.00 -0.66 0.24 103.07 105.15 1ufz h GLY 10 Ca 0.10 0.75 0.12 0.00 0.00 0.00 0.00 47.33 48.30 1ufz h GLY 10 CO -0.03 -0.26 -0.30 -0.97 0.00 0.00 0.00 176.54 174.98 1ufz h TYR 11 N -0.31 -0.79 0.00 5.60 0.05 -1.61 -0.71 116.97 119.20 1ufz h TYR 11 Ca 0.05 0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.94 1ufz h TYR 11 Cb 0.46 0.45 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 1ufz h TYR 11 CO -0.69 -0.37 -0.47 0.93 -1.05 0.00 0.00 178.16 176.51 1ufz h GLU 12 N -0.10 -0.60 -0.84 4.88 5.08 -1.03 -1.30 114.58 120.68 1ufz h GLU 12 Ca 0.28 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.80 1ufz h GLU 12 Cb 0.56 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.81 1ufz h GLU 12 CO -0.74 -0.40 -0.43 -0.44 -1.00 0.00 0.00 179.01 176.00 1ufz h ASP 13 N -0.62 -1.55 -0.66 1.42 5.19 0.44 0.74 116.42 121.38 1ufz h ASP 13 Ca 0.03 0.29 0.14 0.00 -0.62 0.00 0.00 57.03 56.87 1ufz h ASP 13 Cb 0.69 0.75 -0.12 0.00 0.18 0.00 0.00 39.33 40.83 1ufz h ASP 13 CO -0.33 -0.29 -0.06 -0.07 -3.12 0.00 0.00 179.24 175.36 1ufz h LEU 14 N -0.08 -0.42 -7.73 1.55 3.38 -0.45 -3.17 115.31 108.39 1ufz h LEU 14 Ca 0.26 0.18 -0.74 0.00 0.09 0.00 0.00 57.88 57.67 1ufz h LEU 14 Cb 0.55 0.34 -0.30 0.00 0.09 0.00 0.00 40.66 41.34 1ufz h LEU 14 CO -0.87 -0.17 -0.17 -0.13 0.09 0.00 0.00 178.44 177.19 1ufz s ARG 15 N -6.18 3.01 -1.43 1.13 1.81 0.26 -4.97 118.95 112.59 1ufz s ARG 15 Ca -0.14 -2.40 -0.10 0.00 -1.72 0.00 0.00 55.73 51.37 1ufz s ARG 15 Cb 0.20 -4.07 0.06 0.00 -0.45 0.00 0.00 34.95 30.69 1ufz s ARG 15 CO 0.74 -1.23 2.35 0.39 -0.68 0.00 0.00 175.30 176.87 1ufz n GLU 16 N 3.89 3.62 0.00 3.54 1.02 -1.13 -4.13 120.64 127.45 1ufz n GLU 16 Ca 0.08 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1ufz n GLU 16 Cb 0.42 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 1ufz n GLU 16 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ufz n SER 17 N 3.99 0.00 -0.08 1.62 3.41 -1.26 -5.06 113.62 116.24 1ufz n SER 17 Ca 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 59.11 1ufz n SER 17 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1ufz n SER 17 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufz n SER 18 N 0.00 1.83 0.00 4.04 7.64 -1.26 -5.04 113.62 120.84 1ufz n SER 18 Ca 0.00 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1ufz n SER 18 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1ufz n SER 18 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ufz n ASN 19 N -4.57 0.00 -0.33 6.43 2.85 -1.26 -4.99 115.26 113.39 1ufz n ASN 19 Ca -0.12 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.30 1ufz n ASN 19 Cb 0.36 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.37 1ufz n ASN 19 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ufz h SER 20 N 0.00 -1.60 -0.43 1.20 0.02 -1.98 0.17 113.55 110.94 1ufz h SER 20 Ca 0.00 0.29 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 1ufz h SER 20 Cb 0.00 0.77 -0.06 0.00 0.14 0.00 0.00 62.40 63.25 1ufz h SER 20 CO 0.00 -0.29 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.00 1ufz h LEU 21 N -0.07 -1.16 -0.41 5.07 4.07 -1.97 1.42 115.31 122.26 1ufz h LEU 21 Ca 0.25 0.17 0.08 0.00 0.08 0.00 0.00 57.88 58.46 1ufz h LEU 21 Cb 0.54 0.50 -0.09 0.00 1.08 0.00 0.00 40.66 42.69 1ufz h LEU 21 CO -0.88 -0.17 -0.36 -0.07 -1.08 0.00 0.00 178.44 175.88 1ufz h LEU 22 N -0.09 -1.20 -0.20 1.67 4.07 -1.41 -0.54 115.31 117.61 1ufz h LEU 22 Ca 0.07 0.20 0.05 0.00 0.08 0.00 0.00 57.88 58.28 1ufz h LEU 22 Cb 0.27 0.55 -0.07 0.00 1.08 0.00 0.00 40.66 42.49 1ufz h LEU 22 CO -0.45 -0.34 -0.38 0.78 -1.08 0.00 0.00 178.44 176.97 1ufz h ASN 23 N -0.28 -1.22 -0.97 -0.43 4.21 0.15 -1.29 115.58 115.75 1ufz h ASN 23 Ca 0.16 0.17 0.13 0.00 1.21 0.00 0.00 56.30 57.97 1ufz h ASN 23 Cb 0.56 0.51 -0.14 0.00 -1.12 0.00 0.00 38.32 38.13 1ufz h ASN 23 CO -0.56 -0.39 -0.47 -0.74 -1.29 0.00 0.00 177.43 173.99 1ufz h HIS 24 N -0.42 -1.40 -0.94 1.19 2.76 0.33 1.10 115.15 117.77 1ufz h HIS 24 Ca 0.10 0.11 0.28 0.00 -2.20 0.00 0.00 60.37 58.67 1ufz h HIS 24 Cb 0.59 0.75 -0.16 0.00 1.55 0.00 0.00 27.41 30.14 1ufz h HIS 24 CO -0.49 -0.39 0.24 1.96 -1.30 0.00 0.00 177.93 177.95 1ufz h GLN 25 N -0.01 0.11 0.00 5.26 4.20 -0.13 -3.46 115.11 121.07 1ufz h GLN 25 Ca 0.27 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.13 1ufz h GLN 25 Cb 0.53 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1ufz h GLN 25 CO -0.95 0.07 -0.21 1.28 -0.67 0.00 0.00 178.83 178.35 1ufz n LEU 26 N -5.31 0.00 -4.93 1.46 4.77 0.38 -4.79 117.00 108.57 1ufz n LEU 26 Ca 0.25 0.63 -0.25 0.00 -0.03 0.00 0.00 56.01 56.62 1ufz n LEU 26 Cb 0.83 -1.96 0.02 0.00 -2.33 0.00 0.00 43.42 39.97 1ufz n LEU 26 CO 0.01 -1.33 0.39 -0.44 -1.33 0.00 0.00 177.39 174.69 1ufz s SER 27 N -4.16 5.84 0.24 -1.43 0.01 -1.26 -4.91 113.70 108.02 1ufz s SER 27 Ca 0.00 0.55 -0.07 0.00 1.31 0.00 0.00 55.95 57.74 1ufz s SER 27 Cb 0.00 -1.74 0.23 0.00 0.21 0.00 0.00 66.02 64.73 1ufz s SER 27 CO 0.00 -0.79 1.91 1.05 0.41 0.00 0.00 173.24 175.82 1ufz h GLU 28 N 0.19 1.21 0.14 12.44 4.11 -2.00 0.01 114.58 130.67 1ufz h GLU 28 Ca -0.46 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 1ufz h GLU 28 Cb 1.24 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ufz h GLU 28 CO 0.59 0.80 -0.07 0.82 0.07 0.00 0.00 179.01 181.23 1ufz h ILE 29 N 1.24 0.52 -0.96 -1.06 1.08 -1.99 -3.04 117.51 113.31 1ufz h ILE 29 Ca 0.34 -1.15 0.24 0.00 -0.39 0.00 0.00 64.86 63.90 1ufz h ILE 29 Cb -0.13 0.93 -0.18 0.00 -3.07 0.00 0.00 36.82 34.38 1ufz h ILE 29 CO -0.08 0.16 -0.04 0.44 -0.69 0.00 0.00 178.15 177.93 1ufz h ASP 30 N -0.99 -0.57 0.35 1.72 5.19 -1.93 0.19 116.42 120.37 1ufz h ASP 30 Ca -0.02 0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1ufz h ASP 30 Cb 0.40 0.50 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1ufz h ASP 30 CO 0.03 -0.32 -0.42 -0.61 -3.12 0.00 0.00 179.24 174.80 1ufz h GLN 31 N 0.02 -0.75 -1.09 3.56 -0.00 -1.06 0.50 115.11 116.29 1ufz h GLN 31 Ca 0.54 0.05 0.37 0.00 -0.00 0.00 0.00 58.65 59.61 1ufz h GLN 31 Cb 1.04 0.17 -0.15 0.00 0.00 0.00 0.00 27.48 28.54 1ufz h GLN 31 CO -0.91 -0.50 0.64 0.00 0.00 0.00 0.00 178.83 178.06 1ufz h ALA 32 N -1.00 2.23 0.34 3.38 0.00 -0.58 0.29 119.26 123.91 1ufz h ALA 32 Ca -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ufz h ALA 32 Cb 0.69 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ufz h ALA 32 CO -0.09 -0.87 -0.16 0.00 0.00 0.00 0.00 179.25 178.13 1ufz h ARG 33 N 0.20 -0.44 -0.33 0.00 3.08 0.20 -2.56 114.38 114.52 1ufz h ARG 33 Ca 0.77 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.89 1ufz h ARG 33 Cb 2.03 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 32.12 1ufz h ARG 33 CO -0.57 -0.12 -0.38 1.25 -1.07 0.00 0.00 179.97 179.07 1ufz h LEU 34 N -0.94 -1.30 -0.70 3.04 6.46 0.34 -1.11 115.31 121.10 1ufz h LEU 34 Ca -0.05 0.17 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 1ufz h LEU 34 Cb 0.52 0.54 -0.11 0.00 -0.73 0.00 0.00 40.66 40.88 1ufz h LEU 34 CO 0.08 -0.26 -0.48 1.88 -0.62 0.00 0.00 178.44 179.04 1ufz h TYR 35 N -0.23 -1.47 -0.74 1.25 0.05 -0.99 2.00 116.97 116.84 1ufz h TYR 35 Ca 0.06 0.10 0.22 0.00 0.05 0.00 0.00 58.73 59.15 1ufz h TYR 35 Cb 0.39 0.74 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 1ufz h TYR 35 CO -0.73 -0.42 0.81 0.66 -1.05 0.00 0.00 178.16 177.43 1ufz h SER 36 N -0.18 0.00 0.00 3.88 4.64 -0.81 0.44 113.55 121.53 1ufz h SER 36 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ufz h SER 36 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ufz h SER 36 CO -0.77 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 174.75 1ufz n LEU 38 N -3.65 -0.79 -0.31 0.00 0.00 0.56 0.77 117.00 113.59 1ufz n LEU 38 Ca -0.06 1.52 0.00 0.00 0.00 0.00 0.00 56.01 57.48 1ufz n LEU 38 Cb 0.23 -0.27 0.05 0.00 0.00 0.00 0.00 43.42 43.42 1ufz n LEU 38 CO 0.09 -1.18 0.48 0.47 0.00 0.00 0.00 177.39 177.26 1ufz n ASP 39 N -4.70 -0.48 0.00 1.96 8.00 0.15 0.22 116.55 121.69 1ufz n ASP 39 Ca 0.01 1.40 0.00 0.00 0.71 0.00 0.00 54.79 56.91 1ufz n ASP 39 Cb 0.19 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1ufz n ASP 39 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ufz n HIS 40 N -5.21 0.00 -0.34 1.24 -0.00 0.23 0.19 115.22 111.33 1ufz n HIS 40 Ca 0.09 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.34 1ufz n HIS 40 Cb 0.34 -0.26 0.26 0.00 -0.12 0.00 0.00 29.99 30.20 1ufz n HIS 40 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1ufz h MET 41 N 0.00 0.94 0.00 1.57 2.86 -0.77 0.54 114.93 120.07 1ufz h MET 41 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ufz h MET 41 Cb 0.00 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.45 1ufz h MET 41 CO 0.00 0.62 0.00 -2.13 1.06 0.00 0.00 176.91 176.46 1ufz n ARG 42 N -4.58 0.04 -0.04 1.72 0.63 0.58 0.18 116.66 115.20 1ufz n ARG 42 Ca 0.18 0.38 -0.17 0.00 -0.92 0.00 0.00 57.85 57.31 1ufz n ARG 42 Cb 0.34 -1.60 -0.13 0.00 0.45 0.00 0.00 32.46 31.52 1ufz n ARG 42 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ufz h GLU 43 N 0.00 0.08 0.00 -0.14 4.81 0.75 -3.01 114.58 117.07 1ufz h GLU 43 Ca 0.00 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 1ufz h GLU 43 Cb 0.18 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1ufz h GLU 43 CO 0.00 1.07 -1.30 0.28 -0.73 0.00 0.00 179.01 178.33 1ufz n VAL 44 N -4.44 1.49 0.00 0.32 0.31 -0.99 -4.33 118.33 110.70 1ufz n VAL 44 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 1ufz n VAL 44 Cb 0.61 -2.19 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 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 -1.00 -0.05 -1.57 7.52 4.07 0.17 -3.04 115.31 121.41 1ufz h LEU 45 Ca -0.24 -0.48 0.46 0.00 0.08 0.00 0.00 57.88 57.69 1ufz h LEU 45 Cb 1.08 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 1ufz h LEU 45 CO -0.15 0.47 1.20 0.61 -1.08 0.00 0.00 178.44 179.50 1ufz n GLY 46 N 0.34 -0.82 0.35 0.83 0.00 0.20 0.06 105.19 106.15 1ufz n GLY 46 Ca -0.09 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.53 -0.37 -0.04 1.61 2.03 -1.15 -3.53 116.55 111.56 1ufz n ASP 47 Ca 0.35 1.66 -0.09 0.00 0.52 0.00 0.00 54.79 57.24 1ufz n ASP 47 Cb 1.68 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 41.56 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 -3.63 2.03 -1.77 -1.67 0.00 0.11 -5.01 120.51 110.57 1ufz n ALA 48 Ca 0.15 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1ufz n ALA 48 Cb 0.47 0.22 0.01 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.36 2.11 0.00 0.00 0.11 -0.74 -5.01 120.40 114.51 1ufz s VAL 49 Ca -0.16 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1ufz s VAL 49 Cb 0.04 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1ufz s VAL 49 CO 0.22 0.01 0.00 -0.81 -3.33 0.00 0.00 175.10 171.20 1ufz n PRO 50 N -0.15 0.73 -0.01 1.54 -0.04 -1.26 -3.86 135.00 131.96 1ufz n PRO 50 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1ufz n PRO 50 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.54 2.11 0.08 3.54 5.75 -1.26 -3.87 116.55 122.36 1ufz n ASP 51 Ca 0.00 0.17 -0.07 0.00 -0.01 0.00 0.00 54.79 54.88 1ufz n ASP 51 Cb 0.00 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.24 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 0.06 -0.63 -0.54 -1.12 3.32 -1.97 1.14 116.42 116.69 1ufz h ASP 52 Ca -0.44 0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.72 1ufz h ASP 52 Cb 2.02 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 41.73 1ufz h ASP 52 CO 0.07 -0.25 -0.32 0.40 -1.72 0.00 0.00 179.24 177.42 1ufz h ILE 53 N -0.36 0.00 -0.57 0.35 2.04 -1.97 1.13 117.51 118.14 1ufz h ILE 53 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1ufz h ILE 53 Cb 0.34 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.31 1ufz h ILE 53 CO -0.08 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 177.94 1ufz h LEU 54 N -0.00 -0.37 0.22 1.44 3.38 -1.62 -0.89 115.31 117.46 1ufz h LEU 54 Ca 0.09 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ufz h LEU 54 Cb 0.22 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ufz h LEU 54 CO -0.51 -0.14 -0.35 0.74 0.09 0.00 0.00 178.44 178.28 1ufz h THR 55 N 0.06 0.00 -0.95 0.22 2.02 0.62 -1.37 112.91 113.51 1ufz h THR 55 Ca 0.29 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.75 1ufz h THR 55 Cb 0.45 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.69 1ufz h THR 55 CO -0.53 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.18 1ufz h GLU 56 N -0.60 0.06 -0.42 6.66 5.08 0.17 1.17 114.58 126.71 1ufz h GLU 56 Ca -0.02 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ufz h GLU 56 Cb 0.55 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1ufz h GLU 56 CO -0.11 0.04 0.12 0.00 -1.00 0.00 0.00 179.01 178.05 1ufz h ALA 57 N 1.93 0.48 0.15 3.43 0.00 -0.36 0.62 119.26 125.50 1ufz h ALA 57 Ca 0.62 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.61 1ufz h ALA 57 Cb 1.33 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1ufz h ALA 57 CO -0.83 -0.28 -0.30 0.82 0.00 0.00 0.00 179.25 178.66 1ufz h ILE 58 N 0.26 0.35 0.00 0.00 2.04 0.24 0.29 117.51 120.69 1ufz h ILE 58 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1ufz h ILE 58 Cb 0.22 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 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 -5.41 0.54 0.12 1.44 7.99 -0.44 -0.40 117.00 120.84 1ufz n LEU 59 Ca -0.07 0.69 0.12 0.00 -0.01 0.00 0.00 56.01 56.74 1ufz n LEU 59 Cb 0.32 -0.68 0.46 0.00 -0.11 0.00 0.00 43.42 43.41 1ufz n LEU 59 CO 0.24 -0.72 0.87 1.17 -1.51 0.00 0.00 177.39 177.44 1ufz n LYS 60 N -2.16 0.22 -1.47 3.23 3.00 0.21 -3.22 118.16 117.97 1ufz n LYS 60 Ca 0.00 0.35 0.02 0.00 -0.00 0.00 0.00 58.31 58.68 1ufz n LYS 60 Cb 0.12 -1.85 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 -2.24 0.03 -3.95 5.64 8.25 0.24 -5.02 115.22 118.17 1ufz n HIS 61 Ca 0.03 -0.58 -0.36 0.00 -0.26 0.00 0.00 57.72 56.55 1ufz n HIS 61 Cb 0.30 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.41 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 0.33 -0.91 -2.65 -0.41 4.76 -0.17 -3.63 118.16 115.48 1ufz n LYS 62 Ca -0.01 0.42 -0.01 0.00 -2.87 0.00 0.00 58.31 55.84 1ufz n LYS 62 Cb 1.04 -2.31 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 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 -3.81 -3.96 -2.73 2.13 3.72 0.46 -4.98 117.46 108.29 1ufz n PHE 63 Ca -0.23 1.86 -0.08 0.00 -0.05 0.00 0.00 57.45 58.95 1ufz n PHE 63 Cb 0.63 -3.92 0.08 0.00 -0.94 0.00 0.00 39.48 35.33 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 0.85 -2.51 -0.38 4.37 -0.08 -1.24 -5.01 116.55 112.54 1ufz n ASP 64 Ca -0.07 -3.48 -0.02 0.00 -1.51 0.00 0.00 54.79 49.70 1ufz n ASP 64 Cb 0.11 1.86 0.02 0.00 2.34 0.00 0.00 41.12 45.45 1ufz n ASP 64 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ufz n VAL 65 N 0.87 -0.53 -0.33 5.18 0.31 -1.26 0.16 118.33 122.73 1ufz n VAL 65 Ca 0.07 2.28 0.17 0.00 -0.01 0.00 0.00 64.34 66.85 1ufz n VAL 65 Cb 0.68 -2.99 0.33 0.00 -0.91 0.00 0.00 33.84 30.95 1ufz n VAL 65 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ufz h GLN 66 N 0.00 0.03 0.00 5.55 4.20 -1.98 1.85 115.11 124.77 1ufz h GLN 66 Ca 0.31 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1ufz h GLN 66 Cb 0.55 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ufz h GLN 66 CO -0.96 0.02 -0.07 -0.22 -0.67 0.00 0.00 178.83 176.94 1ufz h LYS 67 N 0.03 0.00 -1.50 1.46 3.11 0.12 -2.60 116.57 117.19 1ufz h LYS 67 Ca 0.63 0.00 0.46 0.00 -2.81 0.00 0.00 60.65 58.93 1ufz h LYS 67 Cb 1.35 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.48 1ufz h LYS 67 CO -0.86 0.06 1.02 0.00 -2.81 0.00 0.00 179.45 176.85 1ufz h ALA 68 N -0.95 3.11 0.29 5.00 0.00 0.20 0.55 119.26 127.46 1ufz h ALA 68 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ufz h ALA 68 Cb 0.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ufz h ALA 68 CO -0.00 -1.68 -0.14 -0.07 0.00 0.00 0.00 179.25 177.36 1ufz h LEU 69 N 0.06 -0.33 -1.92 0.00 3.38 0.28 1.48 115.31 118.27 1ufz h LEU 69 Ca 0.82 -0.12 0.32 0.00 0.09 0.00 0.00 57.88 58.99 1ufz h LEU 69 Cb 2.88 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 43.67 1ufz h LEU 69 CO -0.25 0.16 0.85 -1.28 0.09 0.00 0.00 178.44 178.01 1ufz h SER 70 N -1.03 0.00 0.01 -0.43 0.87 0.34 1.51 113.55 114.82 1ufz h SER 70 Ca -0.04 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.25 1ufz h SER 70 Cb 0.42 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1ufz h SER 70 CO 0.06 0.00 -1.46 0.52 -0.53 0.00 0.00 176.83 175.43 1ufz n VAL 71 N -4.02 1.55 -0.21 2.23 0.31 0.55 -3.27 118.33 115.47 1ufz n VAL 71 Ca 0.23 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1ufz n VAL 71 Cb 1.21 -2.00 0.11 0.00 -0.91 0.00 0.00 33.84 32.25 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 -0.93 0.80 0.31 2.52 2.07 0.43 1.38 116.25 122.83 1ufz h VAL 72 Ca -0.40 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1ufz h VAL 72 Cb 1.39 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1ufz h VAL 72 CO -0.22 0.08 -0.20 -0.07 0.02 0.00 0.00 177.57 177.19 1ufz h LEU 73 N 0.46 -0.50 0.01 2.57 3.38 0.18 0.43 115.31 121.84 1ufz h LEU 73 Ca 0.32 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1ufz h LEU 73 Cb 0.37 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ufz h LEU 73 CO -0.29 -0.32 -0.01 -0.08 0.09 0.00 0.00 178.44 177.83 1ufz h GLU 74 N -0.50 -0.03 0.32 1.13 4.81 -1.31 -2.10 114.58 116.91 1ufz h GLU 74 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ufz h GLU 74 Cb 0.42 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1ufz h GLU 74 CO 0.03 -0.02 -0.43 0.37 -0.73 0.00 0.00 179.01 178.22 1ufz h GLN 75 N -0.03 -0.75 -1.38 1.92 5.75 0.20 -0.25 115.11 120.58 1ufz h GLN 75 Ca 0.00 0.05 0.42 0.00 -0.15 0.00 0.00 58.65 58.97 1ufz h GLN 75 Cb 0.03 0.17 -0.10 0.00 1.07 0.00 0.00 27.48 28.65 1ufz h GLN 75 CO -0.00 -0.50 0.93 -0.44 -2.65 0.00 0.00 178.83 176.16 1ufz h ASP 76 N -0.78 0.19 -0.57 -0.69 5.19 -0.09 1.08 116.42 120.75 1ufz h ASP 76 Ca -0.04 0.08 0.17 0.00 -0.62 0.00 0.00 57.03 56.62 1ufz h ASP 76 Cb 0.71 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1ufz h ASP 76 CO -0.11 -0.08 0.79 1.23 -3.12 0.00 0.00 179.24 177.95 1ufz h GLY 77 N 0.10 0.00 0.94 2.75 0.00 -0.31 0.63 103.07 107.18 1ufz h GLY 77 Ca 0.77 0.00 0.02 0.00 0.00 0.00 0.00 47.33 48.11 1ufz h GLY 77 CO -0.26 0.00 0.43 1.76 0.00 0.00 0.00 176.54 178.47 1ufz h SER 78 N 0.00 0.73 0.00 0.19 0.02 0.11 -3.15 113.55 111.44 1ufz h SER 78 Ca 0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1ufz h SER 78 Cb 1.86 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1ufz h SER 78 CO -0.00 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 1ufz n GLY 79 N -1.28 -2.96 3.71 -3.77 0.00 0.22 -4.39 105.19 96.72 1ufz n GLY 79 Ca 0.06 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.95 4.45 0.22 1.61 0.04 -1.19 -4.93 135.00 132.25 1ufz s PRO 80 Ca 0.00 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1ufz s PRO 80 Cb 0.00 -3.37 0.33 0.00 0.04 0.00 0.00 34.50 31.51 1ufz s PRO 80 CO 0.00 -0.23 1.72 1.03 0.04 0.00 0.00 177.00 179.55 1ufz h SER 81 N 6.82 0.09 -3.14 6.66 0.87 -1.80 -3.38 113.55 119.67 1ufz h SER 81 Ca -0.41 0.11 -0.61 0.00 -1.23 0.00 0.00 61.79 59.64 1ufz h SER 81 Cb 1.21 0.13 -0.35 0.00 -0.44 0.00 0.00 62.40 62.95 1ufz h SER 81 CO 0.80 0.05 -0.84 -0.44 -0.53 0.00 0.00 176.83 175.87 1ufz s SER 82 N -5.32 2.72 0.00 6.23 0.01 -1.26 -5.04 113.70 111.04 1ufz s SER 82 Ca -0.13 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1ufz s SER 82 Cb 0.18 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1ufz s SER 82 CO 0.75 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.98