#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zac n SER 2 N 0.00 0.66 -0.10 0.00 2.88 -1.26 -3.99 113.62 111.81 1zac n SER 2 Ca 0.00 0.21 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1zac n SER 2 Cb 0.00 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 1zac n SER 2 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1zac h MET 3 N 0.00 0.48 0.00 -1.46 0.00 -2.02 0.23 114.93 112.17 1zac h MET 3 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 59.70 59.56 1zac h MET 3 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 31.60 32.23 1zac h MET 3 CO 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 176.91 177.38 1zac h THR 4 N 0.32 0.93 0.06 2.22 1.03 -2.00 0.66 112.91 116.12 1zac h THR 4 Ca 0.09 -0.34 -0.14 0.00 -0.01 0.00 0.00 66.41 66.02 1zac h THR 4 Cb 0.30 1.19 0.01 0.00 -1.07 0.00 0.00 68.15 68.59 1zac h THR 4 CO 0.00 0.09 -0.58 -0.78 -0.01 0.00 0.00 175.52 174.25 1zac h ASP 5 N 0.00 0.40 0.68 0.00 3.58 -1.61 -3.18 116.42 116.28 1zac h ASP 5 Ca -0.00 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.57 1zac h ASP 5 Cb 0.18 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1zac h ASP 5 CO 0.01 1.23 0.00 -0.61 -2.88 0.00 0.00 179.24 177.00 1zac h GLN 6 N -0.38 0.00 0.48 0.28 5.75 -0.57 -3.21 115.11 117.46 1zac h GLN 6 Ca -0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1zac h GLN 6 Cb 1.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.94 1zac h GLN 6 CO 0.11 0.00 -0.23 0.37 -2.65 0.00 0.00 178.83 176.43 1zac h GLN 7 N 0.00 -0.62 -0.68 1.69 4.15 -0.86 -0.53 115.11 118.26 1zac h GLN 7 Ca 0.00 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.61 1zac h GLN 7 Cb 0.34 0.14 -0.11 0.00 0.21 0.00 0.00 27.48 28.06 1zac h GLN 7 CO 0.00 -0.41 0.09 0.00 -1.93 0.00 0.00 178.83 176.58 1zac h ALA 8 N -1.16 0.78 -0.20 3.38 0.00 -1.59 0.40 119.26 120.87 1zac h ALA 8 Ca -0.07 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1zac h ALA 8 Cb 0.50 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1zac h ALA 8 CO 0.11 -0.37 -0.40 1.49 0.00 0.00 0.00 179.25 180.08 1zac h GLU 9 N 0.19 0.46 -0.65 0.00 4.81 -1.63 -2.06 114.58 115.70 1zac h GLU 9 Ca 0.37 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1zac h GLU 9 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1zac h GLU 9 CO -0.52 0.79 0.15 0.00 -0.73 0.00 0.00 179.01 178.70 1zac h ALA 10 N 1.18 1.03 0.02 2.92 0.00 0.74 -2.03 119.26 123.12 1zac h ALA 10 Ca 0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1zac h ALA 10 Cb 0.88 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1zac h ALA 10 CO 0.07 0.63 -0.67 0.00 0.00 0.00 0.00 179.25 179.29 1zac h ARG 11 N 0.99 0.41 -0.46 0.00 3.08 -1.16 -3.26 114.38 113.97 1zac h ARG 11 Ca 0.21 -0.48 0.08 0.00 0.07 0.00 0.00 59.98 59.86 1zac h ARG 11 Cb 0.36 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1zac h ARG 11 CO 0.00 1.14 0.31 0.00 -1.07 0.00 0.00 179.97 180.36 1zac h ALA 12 N 0.29 2.06 -0.70 0.04 0.00 -1.31 -1.57 119.26 118.07 1zac h ALA 12 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1zac h ALA 12 Cb 1.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1zac h ALA 12 CO 0.13 -0.16 0.39 0.35 0.00 0.00 0.00 179.25 179.96 1zac h PHE 13 N 0.28 0.94 -3.24 0.00 3.04 -1.41 -3.41 116.94 113.14 1zac h PHE 13 Ca 0.21 -0.01 -0.57 0.00 3.98 0.00 0.00 57.97 61.58 1zac h PHE 13 Cb 0.46 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1zac h PHE 13 CO -0.00 0.65 -0.07 -0.51 -2.02 0.00 0.00 178.31 176.35 1zac s LEU 14 N -9.71 4.46 0.88 0.59 1.43 -0.59 -5.08 118.68 110.65 1zac s LEU 14 Ca -0.11 1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 1zac s LEU 14 Cb 0.17 -2.98 0.13 0.00 0.03 0.00 0.00 46.19 43.55 1zac s LEU 14 CO 0.79 0.23 1.24 -0.44 0.23 0.00 0.00 176.35 178.40 1zac s SER 15 N -1.30 3.88 0.27 2.29 0.01 -1.26 -4.74 113.70 112.85 1zac s SER 15 Ca 0.31 0.56 -0.03 0.00 1.31 0.00 0.00 55.95 58.10 1zac s SER 15 Cb -0.18 -0.86 0.37 0.00 0.21 0.00 0.00 66.02 65.56 1zac s SER 15 CO 0.18 -2.28 1.92 -0.08 0.41 0.00 0.00 173.24 173.39 1zac h GLU 16 N -1.32 1.19 -0.58 12.44 4.81 -1.96 0.78 114.58 129.93 1zac h GLU 16 Ca -0.45 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 1zac h GLU 16 Cb 1.29 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1zac h GLU 16 CO 0.54 0.79 0.03 1.49 -0.73 0.00 0.00 179.01 181.13 1zac h GLU 17 N 1.22 0.98 -0.11 1.92 4.81 -1.99 -1.78 114.58 119.64 1zac h GLU 17 Ca 0.38 -0.28 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 1zac h GLU 17 Cb 0.00 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1zac h GLU 17 CO -0.12 0.95 -0.81 1.98 -0.73 0.00 0.00 179.01 180.28 1zac h MET 18 N 0.91 0.68 -0.26 1.92 4.05 -1.73 -0.97 114.93 119.53 1zac h MET 18 Ca 0.17 -0.58 -0.01 0.00 -0.28 0.00 0.00 59.70 59.00 1zac h MET 18 Cb 0.49 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1zac h MET 18 CO 0.02 1.20 0.12 0.82 0.23 0.00 0.00 176.91 179.30 1zac h ILE 19 N 0.45 1.15 -0.23 1.77 2.04 -0.74 0.67 117.51 122.61 1zac h ILE 19 Ca -0.06 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1zac h ILE 19 Cb 1.44 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1zac h ILE 19 CO 0.16 0.15 -0.29 0.00 0.00 0.00 0.00 178.15 178.17 1zac h ALA 20 N 0.98 1.07 -0.64 1.87 0.00 -1.36 -1.31 119.26 119.88 1zac h ALA 20 Ca 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1zac h ALA 20 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1zac h ALA 20 CO -0.01 0.57 0.08 1.49 0.00 0.00 0.00 179.25 181.38 1zac h GLU 21 N 0.40 1.08 0.00 0.00 4.57 -0.71 -2.63 114.58 117.29 1zac h GLU 21 Ca 0.05 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1zac h GLU 21 Cb 0.71 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1zac h GLU 21 CO 0.05 1.00 -0.02 0.74 -1.18 0.00 0.00 179.01 179.61 1zac h PHE 22 N 1.00 0.00 0.41 0.92 -1.00 -0.63 -3.31 116.94 114.33 1zac h PHE 22 Ca 0.19 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1zac h PHE 22 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1zac h PHE 22 CO 0.03 0.02 -0.27 -0.22 -1.61 0.00 0.00 178.31 176.27 1zac h LYS 23 N 0.00 -0.63 -0.72 1.51 1.63 -0.84 0.12 116.57 117.64 1zac h LYS 23 Ca -0.00 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1zac h LYS 23 Cb 0.92 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 1zac h LYS 23 CO 0.00 -0.42 0.39 0.00 -3.45 0.00 0.00 179.45 175.97 1zac h ALA 24 N -0.11 0.92 -0.65 5.00 0.00 -1.67 -0.86 119.26 121.89 1zac h ALA 24 Ca -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1zac h ALA 24 Cb 0.54 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1zac h ALA 24 CO 0.04 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.93 1zac h ALA 25 N 1.19 0.85 -0.40 0.00 0.00 -1.61 -2.88 119.26 116.42 1zac h ALA 25 Ca 0.25 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1zac h ALA 25 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1zac h ALA 25 CO -0.04 0.52 -0.36 0.35 0.00 0.00 0.00 179.25 179.72 1zac h PHE 26 N 0.94 1.12 0.00 0.00 3.57 -0.49 -2.84 116.94 119.24 1zac h PHE 26 Ca 0.21 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1zac h PHE 26 Cb 0.29 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1zac h PHE 26 CO 0.02 1.15 0.00 -0.25 -2.23 0.00 0.00 178.31 177.00 1zac n ASP 27 N -4.06 0.00 0.26 0.41 8.00 -0.35 -3.18 116.55 117.62 1zac n ASP 27 Ca -0.02 -0.48 0.18 0.00 0.71 0.00 0.00 54.79 55.18 1zac n ASP 27 Cb 0.53 -0.04 0.88 0.00 -0.02 0.00 0.00 41.12 42.48 1zac n ASP 27 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1zac h MET 28 N 0.00 0.00 0.00 -1.24 2.86 -1.29 -2.36 114.93 112.90 1zac h MET 28 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1zac h MET 28 Cb 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1zac h MET 28 CO 0.00 0.00 -0.36 1.19 1.06 0.00 0.00 176.91 178.80 1zac n PHE 29 N -2.78 0.00 -2.61 -0.22 3.72 -1.19 -4.95 117.46 109.43 1zac n PHE 29 Ca -0.01 -0.99 -0.43 0.00 -0.05 0.00 0.00 57.45 55.97 1zac n PHE 29 Cb 0.12 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1zac n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1zac s ASP 30 N -2.66 6.79 0.30 4.37 1.11 -0.89 -4.32 116.67 121.37 1zac s ASP 30 Ca 0.30 -2.28 0.02 0.00 0.18 0.00 0.00 52.55 50.77 1zac s ASP 30 Cb 0.29 -2.56 0.59 0.00 1.07 0.00 0.00 42.92 42.30 1zac s ASP 30 CO -0.03 -1.21 1.86 0.00 1.18 0.00 0.00 175.17 176.97 1zac h ALA 31 N 8.00 1.57 0.02 5.23 0.00 -1.90 -2.86 119.26 129.33 1zac h ALA 31 Ca 0.39 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.96 1zac h ALA 31 Cb 0.90 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1zac h ALA 31 CO 1.43 0.21 -2.09 -0.25 0.00 0.00 0.00 179.25 178.56 1zac n ASP 32 N -4.57 1.04 -0.25 0.00 8.00 -1.26 -5.01 116.55 114.50 1zac n ASP 32 Ca 0.17 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1zac n ASP 32 Cb 0.33 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1zac n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zac n GLY 33 N 1.81 0.99 1.28 0.44 0.00 -1.08 -5.00 105.19 103.64 1zac n GLY 33 Ca -0.29 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 1zac n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zac n GLY 34 N -0.35 5.13 2.21 -0.02 0.00 -1.26 -4.91 105.19 105.99 1zac n GLY 34 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1zac n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zac n GLY 35 N -1.08 -0.02 3.45 -0.02 0.00 -1.26 -4.91 105.19 101.35 1zac n GLY 35 Ca 0.35 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1zac n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zac s ASP 36 N -2.52 -0.54 0.51 1.61 -4.77 -1.26 -1.45 116.67 108.24 1zac s ASP 36 Ca 0.00 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 50.02 1zac s ASP 36 Cb 0.00 0.74 -0.00 0.00 -1.09 0.00 0.00 42.92 42.57 1zac s ASP 36 CO 0.00 -0.42 0.01 2.30 0.70 0.00 0.00 175.17 177.76 1zac n ILE 37 N 1.69 0.00 -2.08 2.11 -5.35 -1.22 -4.52 119.36 109.99 1zac n ILE 37 Ca -0.18 -2.44 -0.41 0.00 -0.27 0.00 0.00 62.75 59.46 1zac n ILE 37 Cb 0.56 0.51 -0.02 0.00 -1.74 0.00 0.00 39.64 38.96 1zac n ILE 37 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1zac s SER 38 N -3.82 6.72 0.55 7.28 0.01 -1.26 -1.99 113.70 121.19 1zac s SER 38 Ca 0.01 2.71 0.22 0.00 1.31 0.00 0.00 55.95 60.21 1zac s SER 38 Cb 0.00 -2.65 1.46 0.00 0.21 0.00 0.00 66.02 65.04 1zac s SER 38 CO 0.01 -0.59 2.13 0.71 0.41 0.00 0.00 173.24 175.91 1zac h THR 39 N 3.13 0.78 -0.10 1.44 1.35 -1.67 0.17 112.91 118.00 1zac h THR 39 Ca -0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.24 1zac h THR 39 Cb 1.23 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1zac h THR 39 CO 0.67 0.00 -0.54 0.11 -0.25 0.00 0.00 175.52 175.51 1zac h LYS 40 N 0.00 0.30 0.00 4.72 1.57 -1.90 -2.54 116.57 118.72 1zac h LYS 40 Ca 0.06 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1zac h LYS 40 Cb 0.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1zac h LYS 40 CO -0.00 0.77 0.00 -1.91 -0.57 0.00 0.00 179.45 177.74 1zac n GLU 41 N -3.93 0.54 0.24 3.15 4.07 0.02 -3.59 120.64 121.14 1zac n GLU 41 Ca -0.02 0.02 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 1zac n GLU 41 Cb 0.58 -1.50 0.80 0.00 -0.06 0.00 0.00 31.44 31.26 1zac n GLU 41 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1zac h LEU 42 N 0.00 0.00 -0.33 4.31 6.46 -1.13 -0.36 115.31 124.26 1zac h LEU 42 Ca 0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 1zac h LEU 42 Cb 0.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1zac h LEU 42 CO 0.00 0.00 -0.83 1.23 -0.62 0.00 0.00 178.44 178.22 1zac h GLY 43 N 0.00 0.31 0.64 3.75 0.00 -1.78 -2.98 103.07 103.01 1zac h GLY 43 Ca 0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1zac h GLY 43 CO -0.00 0.45 -0.04 -0.84 0.00 0.00 0.00 176.54 176.11 1zac h THR 44 N 0.17 1.34 -0.98 4.70 2.02 -1.32 -2.15 112.91 116.69 1zac h THR 44 Ca -0.04 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.10 1zac h THR 44 Cb 1.44 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 69.72 1zac h THR 44 CO 0.13 0.30 0.64 1.62 0.37 0.00 0.00 175.52 178.58 1zac h VAL 45 N -0.27 1.15 -0.52 3.16 3.04 -1.50 0.50 116.25 121.82 1zac h VAL 45 Ca 0.01 -0.42 -0.07 0.00 -1.01 0.00 0.00 66.70 65.21 1zac h VAL 45 Cb 0.49 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.58 1zac h VAL 45 CO 0.01 0.22 0.04 0.24 -1.01 0.00 0.00 177.57 177.08 1zac h MET 46 N 1.22 0.89 -0.12 4.17 2.86 -1.48 -2.37 114.93 120.10 1zac h MET 46 Ca 0.39 -0.26 -0.22 0.00 -2.06 0.00 0.00 59.70 57.55 1zac h MET 46 Cb 0.03 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.61 1zac h MET 46 CO -0.13 0.89 -0.80 0.00 1.06 0.00 0.00 176.91 177.93 1zac h ARG 47 N 0.77 0.71 0.00 1.72 2.47 -0.72 -0.42 114.38 118.90 1zac h ARG 47 Ca 0.15 -0.60 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 1zac h ARG 47 Cb 0.46 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1zac h ARG 47 CO 0.02 1.21 -0.06 0.52 0.56 0.00 0.00 179.97 182.22 1zac h MET 48 N 0.47 0.00 0.17 0.04 2.86 0.07 -2.49 114.93 116.06 1zac h MET 48 Ca -0.06 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.29 1zac h MET 48 Cb 1.42 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.10 1zac h MET 48 CO 0.16 0.06 -1.32 -0.07 1.06 0.00 0.00 176.91 176.80 1zac h LEU 49 N 0.00 0.61 0.00 1.22 3.38 -1.37 -3.48 115.31 115.67 1zac h LEU 49 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1zac h LEU 49 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1zac h LEU 49 CO 0.01 1.49 0.00 0.61 0.09 0.00 0.00 178.44 180.64 1zac n GLY 50 N 1.56 0.51 3.95 0.83 0.00 -0.94 -5.13 105.19 105.98 1zac n GLY 50 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1zac n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zac s GLN 51 N 0.00 0.53 -0.41 1.61 1.11 -0.19 -4.95 119.66 117.35 1zac s GLN 51 Ca 0.00 -0.59 0.05 0.00 0.01 0.00 0.00 55.36 54.82 1zac s GLN 51 Cb 0.00 -1.89 0.17 0.00 -1.01 0.00 0.00 33.01 30.28 1zac s GLN 51 CO 0.00 -2.45 0.46 1.21 0.01 0.00 0.00 175.29 174.52 1zac s ASN 52 N -4.93 0.46 -0.05 5.90 3.84 -1.26 -3.81 114.94 115.08 1zac s ASN 52 Ca 0.75 -1.89 -0.30 0.00 0.21 0.00 0.00 52.86 51.64 1zac s ASN 52 Cb -0.03 0.73 -0.04 0.00 -0.55 0.00 0.00 41.25 41.37 1zac s ASN 52 CO 0.53 -0.19 1.24 -2.16 -2.79 0.00 0.00 177.10 173.73 1zac s PRO 53 N 1.04 4.33 0.70 0.43 0.04 -1.26 -5.00 135.00 135.27 1zac s PRO 53 Ca 0.23 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 1zac s PRO 53 Cb -0.07 -3.57 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1zac s PRO 53 CO -0.07 -0.48 1.19 0.95 0.04 0.00 0.00 177.00 178.63 1zac s THR 54 N 2.30 2.50 0.30 1.26 -4.23 -1.26 -4.73 115.64 111.79 1zac s THR 54 Ca 0.57 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1zac s THR 54 Cb -0.26 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1zac s THR 54 CO 0.22 -0.12 1.90 0.50 -0.54 0.00 0.00 174.62 176.59 1zac h LYS 55 N -0.05 0.98 -0.70 3.99 3.64 -1.99 0.14 116.57 122.57 1zac h LYS 55 Ca -0.48 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1zac h LYS 55 Cb 1.29 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1zac h LYS 55 CO 0.51 0.65 0.34 1.49 -2.27 0.00 0.00 179.45 180.17 1zac h GLU 56 N 1.01 1.00 -0.12 1.90 4.81 -2.00 -2.16 114.58 119.02 1zac h GLU 56 Ca 0.40 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 59.31 1zac h GLU 56 Cb 0.24 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1zac h GLU 56 CO -0.16 0.77 -0.69 0.93 -0.73 0.00 0.00 179.01 179.14 1zac h GLU 57 N 0.99 0.53 0.17 1.92 4.39 -1.51 -2.48 114.58 118.61 1zac h GLU 57 Ca 0.24 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1zac h GLU 57 Cb 0.10 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1zac h GLU 57 CO -0.03 1.03 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.69 1zac h LEU 58 N 0.38 -0.20 -0.83 1.33 3.38 -0.53 0.36 115.31 119.20 1zac h LEU 58 Ca -0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1zac h LEU 58 Cb 1.27 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1zac h LEU 58 CO 0.13 -0.10 0.31 -0.78 0.09 0.00 0.00 178.44 178.08 1zac h ASP 59 N -0.28 1.08 -0.22 -0.43 3.58 -1.46 0.28 116.42 118.97 1zac h ASP 59 Ca -0.02 -0.17 -0.14 0.00 0.42 0.00 0.00 57.03 57.12 1zac h ASP 59 Cb 0.22 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1zac h ASP 59 CO 0.04 0.96 -0.35 0.00 -2.88 0.00 0.00 179.24 177.01 1zac h ALA 60 N 1.19 0.76 0.07 -0.78 0.00 -1.22 -2.50 119.26 116.79 1zac h ALA 60 Ca 0.26 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 1zac h ALA 60 Cb 0.22 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1zac h ALA 60 CO -0.02 0.66 -1.14 0.82 0.00 0.00 0.00 179.25 179.56 1zac h ILE 61 N 0.62 1.34 0.17 0.00 2.04 0.01 -3.03 117.51 118.66 1zac h ILE 61 Ca 0.06 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.41 1zac h ILE 61 Cb 0.89 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1zac h ILE 61 CO 0.08 0.76 -0.08 0.40 0.00 0.00 0.00 178.15 179.30 1zac h ILE 62 N 0.26 0.86 -0.56 -0.67 2.04 -0.44 -1.11 117.51 117.89 1zac h ILE 62 Ca -0.15 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1zac h ILE 62 Cb 1.81 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1zac h ILE 62 CO 0.21 0.03 0.38 -0.08 0.00 0.00 0.00 178.15 178.68 1zac h GLU 63 N -0.28 0.39 -0.38 2.37 4.81 -1.55 1.00 114.58 120.95 1zac h GLU 63 Ca -0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1zac h GLU 63 Cb 0.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1zac h GLU 63 CO 0.04 0.26 -0.14 1.49 -0.73 0.00 0.00 179.01 179.93 1zac h GLU 64 N 0.40 0.77 0.00 1.92 4.81 -1.28 -2.98 114.58 118.23 1zac h GLU 64 Ca 0.25 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1zac h GLU 64 Cb 0.47 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1zac h GLU 64 CO -0.07 0.93 -0.43 1.33 -0.73 0.00 0.00 179.01 180.04 1zac n VAL 65 N -4.32 0.23 0.64 0.32 0.24 -0.47 -3.62 118.33 111.34 1zac n VAL 65 Ca -0.02 -0.15 0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1zac n VAL 65 Cb 0.38 -0.12 0.42 0.00 -1.47 0.00 0.00 33.84 33.06 1zac n VAL 65 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1zac n ASP 66 N -1.86 0.77 0.00 -1.34 -0.08 0.34 -3.42 116.55 110.96 1zac n ASP 66 Ca 0.05 0.58 0.05 0.00 -1.51 0.00 0.00 54.79 53.95 1zac n ASP 66 Cb 0.39 -0.78 0.22 0.00 2.34 0.00 0.00 41.12 43.30 1zac n ASP 66 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1zac n GLU 67 N -2.22 0.03 -0.22 -0.67 2.13 -1.16 -2.92 120.64 115.60 1zac n GLU 67 Ca 0.05 0.30 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 1zac n GLU 67 Cb 0.42 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.72 1zac n GLU 67 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1zac h ASP 68 N 0.00 0.99 0.00 4.31 5.19 -1.83 -3.47 116.42 121.61 1zac h ASP 68 Ca 0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1zac h ASP 68 Cb 0.16 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1zac h ASP 68 CO 0.00 0.95 0.00 0.61 -3.12 0.00 0.00 179.24 177.68 1zac n GLY 69 N -0.75 1.21 0.08 2.75 0.00 -1.15 -4.93 105.19 102.41 1zac n GLY 69 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1zac n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1zac h SER 70 N 2.00 0.12 0.00 1.61 0.02 -1.92 -3.48 113.55 111.91 1zac h SER 70 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1zac h SER 70 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1zac h SER 70 CO 0.00 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1zac n GLY 71 N 1.52 0.89 3.39 -3.77 0.00 -1.26 -5.05 105.19 100.91 1zac n GLY 71 Ca -0.11 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 1zac n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zac s THR 72 N -2.00 1.20 -0.15 2.61 -4.23 -1.26 -1.86 115.64 109.95 1zac s THR 72 Ca 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1zac s THR 72 Cb 0.00 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1zac s THR 72 CO 0.00 -0.20 -0.10 -0.51 -0.54 0.00 0.00 174.62 173.27 1zac s ILE 73 N -3.31 3.26 0.50 2.99 1.10 -0.84 -4.76 121.20 120.14 1zac s ILE 73 Ca 0.32 -0.58 -0.19 0.00 -0.51 0.00 0.00 60.65 59.69 1zac s ILE 73 Cb 0.06 -2.39 -0.08 0.00 0.15 0.00 0.00 42.46 40.20 1zac s ILE 73 CO 0.12 0.51 1.00 -1.81 -2.11 0.00 0.00 174.94 172.64 1zac s ASP 74 N 0.49 6.52 0.12 4.50 1.01 -1.26 -3.40 116.67 124.65 1zac s ASP 74 Ca -0.07 1.73 -0.19 0.00 0.71 0.00 0.00 52.55 54.72 1zac s ASP 74 Cb -0.15 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 1zac s ASP 74 CO 0.04 -0.66 1.75 0.15 0.21 0.00 0.00 175.17 176.66 1zac h PHE 75 N 1.28 0.33 -0.77 4.23 3.04 -1.60 0.86 116.94 124.31 1zac h PHE 75 Ca -0.48 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.48 1zac h PHE 75 Cb 1.20 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.56 1zac h PHE 75 CO 0.61 0.25 0.50 1.05 -2.02 0.00 0.00 178.31 178.70 1zac h GLU 76 N 0.31 0.98 0.10 1.11 4.11 -1.93 -0.68 114.58 118.58 1zac h GLU 76 Ca 0.09 -0.06 -0.27 0.00 0.07 0.00 0.00 59.36 59.19 1zac h GLU 76 Cb 0.02 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1zac h GLU 76 CO -0.02 0.65 -1.17 1.49 0.07 0.00 0.00 179.01 180.04 1zac h GLU 77 N 1.01 0.41 0.00 1.06 4.81 -1.88 -3.20 114.58 116.79 1zac h GLU 77 Ca 0.29 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1zac h GLU 77 Cb -0.07 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1zac h GLU 77 CO -0.08 1.23 -0.13 0.35 -0.73 0.00 0.00 179.01 179.65 1zac h PHE 78 N 0.17 0.00 -0.55 0.92 3.57 0.10 -2.24 116.94 118.91 1zac h PHE 78 Ca -0.14 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.52 1zac h PHE 78 Cb 1.85 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 1zac h PHE 78 CO 0.08 0.13 0.40 -0.07 -2.23 0.00 0.00 178.31 176.62 1zac h LEU 79 N 0.00 0.00 -0.79 0.59 3.38 -1.12 0.23 115.31 117.60 1zac h LEU 79 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1zac h LEU 79 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1zac h LEU 79 CO 0.02 0.00 -0.25 -0.37 0.09 0.00 0.00 178.44 177.93 1zac h VAL 80 N 0.00 1.27 -0.08 1.22 -1.51 -1.58 -1.44 116.25 114.13 1zac h VAL 80 Ca 0.26 -1.32 -0.12 0.00 -1.23 0.00 0.00 66.70 64.29 1zac h VAL 80 Cb 1.07 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1zac h VAL 80 CO -0.00 0.43 -0.47 0.24 -1.23 0.00 0.00 177.57 176.54 1zac h MET 81 N 0.56 0.20 0.09 5.19 2.86 -0.71 -0.80 114.93 122.32 1zac h MET 81 Ca 0.08 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1zac h MET 81 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1zac h MET 81 CO 0.06 0.63 -0.04 0.52 1.06 0.00 0.00 176.91 179.13 1zac h MET 82 N 0.16 -0.11 -0.04 1.72 2.07 -0.88 -2.78 114.93 115.06 1zac h MET 82 Ca 0.01 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1zac h MET 82 Cb 0.89 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.65 1zac h MET 82 CO 0.07 0.35 -0.09 0.28 1.07 0.00 0.00 176.91 178.59 1zac h VAL 83 N -0.63 1.43 -0.52 -2.22 2.07 -1.30 0.02 116.25 115.10 1zac h VAL 83 Ca -0.01 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.17 1zac h VAL 83 Cb 0.51 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1zac h VAL 83 CO 0.02 0.39 0.35 0.03 0.02 0.00 0.00 177.57 178.38 1zac h ARG 84 N -0.39 0.35 0.11 1.57 2.47 -1.27 0.76 114.38 117.98 1zac h ARG 84 Ca 0.00 -0.02 -0.29 0.00 -1.26 0.00 0.00 59.98 58.41 1zac h ARG 84 Cb 0.68 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1zac h ARG 84 CO 0.02 0.23 -1.46 0.37 0.56 0.00 0.00 179.97 179.70 1zac h GLN 85 N 0.36 0.23 0.00 0.04 5.75 -1.48 -3.30 115.11 116.71 1zac h GLN 85 Ca 0.24 -0.39 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 1zac h GLN 85 Cb 0.47 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1zac h GLN 85 CO -0.06 1.10 -0.24 0.52 -2.65 0.00 0.00 178.83 177.50 1zac h MET 86 N 0.06 0.00 -0.80 1.69 2.86 0.17 -2.70 114.93 116.20 1zac h MET 86 Ca -0.21 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.64 1zac h MET 86 Cb 1.99 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.61 1zac h MET 86 CO 0.16 0.24 0.56 0.87 1.06 0.00 0.00 176.91 179.79 1zac h LYS 87 N 0.00 0.17 0.03 1.72 1.79 0.41 1.07 116.57 121.75 1zac h LYS 87 Ca -0.00 -0.01 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 1zac h LYS 87 Cb 0.94 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.50 1zac h LYS 87 CO 0.03 0.11 -2.29 0.39 -1.08 0.00 0.00 179.45 176.61 1zac n GLU 88 N -4.39 0.68 0.09 3.15 1.02 -1.18 -4.33 120.64 115.68 1zac n GLU 88 Ca 0.16 0.16 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1zac n GLU 88 Cb 0.75 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.83 1zac n GLU 88 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1zac h ASP 89 N 0.02 0.27 0.00 1.62 3.58 -0.98 -3.53 116.42 117.39 1zac h ASP 89 Ca -0.51 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1zac h ASP 89 Cb 2.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.99 1zac h ASP 89 CO -0.01 0.62 0.00 0.00 -2.88 0.00 0.00 179.24 176.96