#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zyr s GLU 3 N 0.00 3.53 -0.69 0.00 2.02 -1.26 -5.04 118.70 117.26 1zyr s GLU 3 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 54.20 1zyr s GLU 3 Cb 0.00 -2.91 -0.16 0.00 0.10 0.00 0.00 34.13 31.16 1zyr s GLU 3 CO 0.00 0.36 2.47 -2.30 0.02 0.00 0.00 175.26 175.82 1zyr n PRO 4 N 3.18 0.50 -3.04 0.39 -0.02 -1.26 -2.37 135.00 132.37 1zyr n PRO 4 Ca -0.18 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 1zyr n PRO 4 Cb 0.53 -2.22 0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1zyr n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zyr n GLY 5 N 6.47 -0.14 0.20 -1.23 0.00 -1.26 -4.91 105.19 104.32 1zyr n GLY 5 Ca 0.52 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.56 1zyr n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1zyr h ILE 6 N -1.40 0.71 0.18 -0.61 6.09 -1.90 -2.55 117.51 118.03 1zyr h ILE 6 Ca -0.43 -1.36 -0.01 0.00 -1.37 0.00 0.00 64.86 61.69 1zyr h ILE 6 Cb 1.25 1.88 0.00 0.00 0.47 0.00 0.00 36.82 40.42 1zyr h ILE 6 CO 0.36 0.30 -0.08 0.44 -3.07 0.00 0.00 178.15 176.10 1zyr h ASP 7 N 0.00 -0.20 -1.01 2.19 3.32 -1.91 0.51 116.42 119.32 1zyr h ASP 7 Ca -0.00 -0.28 0.23 0.00 0.02 0.00 0.00 57.03 57.00 1zyr h ASP 7 Cb 0.85 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.35 1zyr h ASP 7 CO 0.04 0.35 0.62 0.11 -1.72 0.00 0.00 179.24 178.65 1zyr h LYS 8 N -0.95 0.55 -0.30 3.56 1.57 -1.95 0.37 116.57 119.43 1zyr h LYS 8 Ca -0.02 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1zyr h LYS 8 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1zyr h LYS 8 CO 0.04 0.37 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.94 1zyr h LEU 9 N 0.57 0.76 0.00 2.94 3.38 -1.44 -2.57 115.31 118.95 1zyr h LEU 9 Ca 0.60 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1zyr h LEU 9 Cb 1.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1zyr h LEU 9 CO -0.38 1.07 0.00 0.49 0.09 0.00 0.00 178.44 179.71 1zyr n PHE 10 N -4.26 0.00 0.62 1.13 0.99 0.96 -2.72 117.46 114.18 1zyr n PHE 10 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.48 1zyr n PHE 10 Cb 0.47 -0.46 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 1zyr n PHE 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1zyr n GLY 11 N -0.08 -0.15 1.83 1.37 0.00 0.65 -4.44 105.19 104.36 1zyr n GLY 11 Ca 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.69 1zyr n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zyr n MET 12 N -0.67 4.24 -4.04 1.61 2.81 -1.01 -4.93 117.12 115.13 1zyr n MET 12 Ca 0.04 -2.87 -0.10 0.00 -1.81 0.00 0.00 57.70 52.97 1zyr n MET 12 Cb 0.26 -2.19 -0.08 0.00 -0.71 0.00 0.00 33.22 30.49 1zyr n MET 12 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1zyr s VAL 13 N -2.67 0.08 -2.38 2.03 -7.23 -1.26 -5.05 120.40 103.91 1zyr s VAL 13 Ca 0.50 -1.61 0.26 0.00 -1.81 0.00 0.00 61.98 59.32 1zyr s VAL 13 Cb 0.39 -1.94 0.55 0.00 0.56 0.00 0.00 36.38 35.94 1zyr s VAL 13 CO 0.14 -0.36 1.73 -0.90 -0.31 0.00 0.00 175.10 175.40 1zyr n ASP 14 N -0.17 1.38 -3.64 4.85 5.75 -1.26 -4.88 116.55 118.59 1zyr n ASP 14 Ca -0.06 -1.52 -0.05 0.00 -0.01 0.00 0.00 54.79 53.15 1zyr n ASP 14 Cb 0.63 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 1zyr n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1zyr s SER 15 N -1.87 -0.39 0.17 -1.12 0.15 -1.26 -5.04 113.70 104.34 1zyr s SER 15 Ca 0.37 0.69 -0.24 0.00 0.70 0.00 0.00 55.95 57.47 1zyr s SER 15 Cb 0.20 0.87 0.05 0.00 -1.71 0.00 0.00 66.02 65.44 1zyr s SER 15 CO 0.31 -0.12 1.59 0.50 1.20 0.00 0.00 173.24 176.73 1zyr h LYS 16 N 4.68 -0.25 0.00 5.44 3.64 -1.89 0.93 116.57 129.12 1zyr h LYS 16 Ca -0.28 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1zyr h LYS 16 Cb 1.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1zyr h LYS 16 CO 0.15 -0.16 0.02 0.66 -2.27 0.00 0.00 179.45 177.85 1zyr n TYR 17 N -5.42 0.00 -0.10 1.91 4.01 -1.26 -2.29 117.16 114.01 1zyr n TYR 17 Ca 0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.58 1zyr n TYR 17 Cb 0.35 -0.27 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 1zyr n TYR 17 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1zyr n ARG 18 N -1.26 0.53 -0.32 -0.72 0.63 0.31 -3.49 116.66 112.35 1zyr n ARG 18 Ca 0.00 0.51 0.18 0.00 -0.92 0.00 0.00 57.85 57.62 1zyr n ARG 18 Cb 0.02 -1.69 0.35 0.00 0.45 0.00 0.00 32.46 31.59 1zyr n ARG 18 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1zyr h LEU 19 N -1.00 -0.10 0.26 6.15 5.85 -1.39 0.17 115.31 125.26 1zyr h LEU 19 Ca -0.27 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1zyr h LEU 19 Cb 1.10 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1zyr h LEU 19 CO -0.17 -0.28 -0.23 0.74 -0.34 0.00 0.00 178.44 178.16 1zyr h THR 20 N 0.10 0.00 -0.50 1.05 2.02 -1.70 0.17 112.91 114.05 1zyr h THR 20 Ca 0.63 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.87 1zyr h THR 20 Cb 1.39 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.71 1zyr h THR 20 CO -0.77 0.00 -0.54 0.58 0.37 0.00 0.00 175.52 175.15 1zyr h VAL 21 N -0.49 0.01 -0.61 3.16 2.07 -0.80 0.33 116.25 119.93 1zyr h VAL 21 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1zyr h VAL 21 Cb 0.42 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.09 1zyr h VAL 21 CO -0.01 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.08 1zyr h VAL 22 N -0.33 0.44 -0.19 2.57 2.07 -0.93 1.20 116.25 121.08 1zyr h VAL 22 Ca 0.10 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 1zyr h VAL 22 Cb 0.57 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1zyr h VAL 22 CO -0.65 0.01 -0.35 1.62 0.02 0.00 0.00 177.57 178.22 1zyr h VAL 23 N 0.05 1.29 0.68 2.57 3.04 -0.06 -1.77 116.25 122.05 1zyr h VAL 23 Ca 0.31 -1.44 -0.03 0.00 -1.01 0.00 0.00 66.70 64.53 1zyr h VAL 23 Cb 0.49 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1zyr h VAL 23 CO -0.58 0.44 -0.32 0.00 -1.01 0.00 0.00 177.57 176.10 1zyr h ALA 24 N 1.29 -0.91 -0.71 3.17 0.00 0.27 -1.07 119.26 121.29 1zyr h ALA 24 Ca 0.04 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1zyr h ALA 24 Cb 0.78 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1zyr h ALA 24 CO 0.06 -0.87 0.36 0.87 0.00 0.00 0.00 179.25 179.66 1zyr h LYS 25 N -1.18 0.58 -0.43 0.00 1.57 0.13 -0.94 116.57 116.31 1zyr h LYS 25 Ca -0.09 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1zyr h LYS 25 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1zyr h LYS 25 CO 0.15 0.39 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.27 1zyr h ARG 26 N 0.60 0.72 -0.33 3.15 9.65 -1.35 -2.38 114.38 124.45 1zyr h ARG 26 Ca 0.35 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1zyr h ARG 26 Cb 0.38 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1zyr h ARG 26 CO -0.27 0.78 0.07 0.00 2.80 0.00 0.00 179.97 183.34 1zyr h ALA 27 N 1.27 0.43 -0.31 2.80 0.00 -0.16 0.26 119.26 123.55 1zyr h ALA 27 Ca 0.13 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1zyr h ALA 27 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1zyr h ALA 27 CO 0.03 0.11 0.04 1.96 0.00 0.00 0.00 179.25 181.39 1zyr h GLN 28 N 0.37 0.14 0.00 0.00 4.20 -0.99 0.03 115.11 118.86 1zyr h GLN 28 Ca 0.10 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1zyr h GLN 28 Cb 0.32 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1zyr h GLN 28 CO 0.00 0.09 -0.20 -0.56 -0.67 0.00 0.00 178.83 177.50 1zyr h GLN 29 N 0.14 0.00 0.00 1.46 3.07 -1.28 0.96 115.11 119.47 1zyr h GLN 29 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 1zyr h GLN 29 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1zyr h GLN 29 CO -0.21 0.20 0.00 -0.11 0.09 0.00 0.00 178.83 178.80 1zyr n LEU 30 N -3.52 0.00 0.01 0.06 7.94 0.89 -2.08 117.00 120.29 1zyr n LEU 30 Ca -0.01 0.37 -0.03 0.00 -1.11 0.00 0.00 56.01 55.23 1zyr n LEU 30 Cb 0.35 -0.37 -0.01 0.00 0.53 0.00 0.00 43.42 43.92 1zyr n LEU 30 CO 0.32 -0.16 -0.29 0.18 -1.11 0.00 0.00 177.39 176.33 1zyr n LEU 31 N -1.37 1.11 -0.32 -1.96 4.77 -0.35 -4.14 117.00 114.74 1zyr n LEU 31 Ca 0.06 0.16 0.30 0.00 -0.03 0.00 0.00 56.01 56.50 1zyr n LEU 31 Cb 0.16 -0.38 0.52 0.00 -2.33 0.00 0.00 43.42 41.39 1zyr n LEU 31 CO 0.14 -0.46 0.94 -1.14 -1.33 0.00 0.00 177.39 175.54 1zyr n ARG 32 N -3.62 -0.04 -2.67 3.23 3.00 0.32 0.23 116.66 117.10 1zyr n ARG 32 Ca -0.06 1.09 -0.32 0.00 -0.00 0.00 0.00 57.85 58.57 1zyr n ARG 32 Cb 0.23 -2.05 -0.01 0.00 0.00 0.00 0.00 32.46 30.63 1zyr n ARG 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1zyr n HIS 33 N -4.63 3.53 -2.84 -0.14 8.25 -0.88 -4.88 115.22 113.62 1zyr n HIS 33 Ca 0.32 -3.32 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 1zyr n HIS 33 Cb 1.17 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1zyr n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zyr n GLY 34 N -0.28 0.77 2.44 -1.41 0.00 0.14 -4.04 105.19 102.81 1zyr n GLY 34 Ca 0.39 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1zyr n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1zyr n PHE 35 N 0.00 2.90 -0.04 1.61 3.01 -1.26 -3.65 117.46 120.04 1zyr n PHE 35 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 57.45 55.57 1zyr n PHE 35 Cb 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 1zyr n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1zyr n LYS 36 N -0.46 4.36 0.00 -1.08 4.76 -1.26 -4.60 118.16 119.89 1zyr n LYS 36 Ca 0.34 -0.09 0.08 0.00 -2.87 0.00 0.00 58.31 55.77 1zyr n LYS 36 Cb 0.74 -0.53 0.46 0.00 -1.84 0.00 0.00 35.03 33.86 1zyr n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1zyr n ASN 37 N -0.65 0.00 -4.71 4.39 4.13 -1.26 -4.84 115.26 112.32 1zyr n ASN 37 Ca 0.00 -0.97 -0.37 0.00 1.68 0.00 0.00 54.58 54.92 1zyr n ASN 37 Cb 0.01 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.31 1zyr n ASN 37 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1zyr n THR 38 N -0.83 4.70 0.77 3.41 5.66 -1.26 -4.93 114.28 121.79 1zyr n THR 38 Ca 0.12 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1zyr n THR 38 Cb 0.05 -1.47 0.29 0.00 -1.55 0.00 0.00 70.33 67.65 1zyr n THR 38 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1zyr n VAL 39 N -1.81 0.39 -3.46 1.08 0.24 -1.26 -4.92 118.33 108.60 1zyr n VAL 39 Ca 0.15 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 1zyr n VAL 39 Cb 0.48 0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 1zyr n VAL 39 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1zyr s LEU 40 N -1.43 -0.54 0.16 1.34 0.05 -1.26 -5.02 118.68 111.99 1zyr s LEU 40 Ca 0.34 0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.66 1zyr s LEU 40 Cb 0.19 2.45 0.00 0.00 -2.05 0.00 0.00 46.19 46.78 1zyr s LEU 40 CO 0.27 -0.82 0.00 1.21 -0.55 0.00 0.00 176.35 176.46 1zyr n GLU 41 N -0.10 0.00 0.00 1.48 4.07 -1.26 -5.06 120.64 119.77 1zyr n GLU 41 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1zyr n GLU 41 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.01 1zyr n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1zyr n PRO 42 N -3.00 0.00 0.00 5.31 -0.02 -1.26 -4.56 135.00 131.47 1zyr n PRO 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1zyr n PRO 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1zyr n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1zyr n GLU 43 N 0.00 1.22 -0.92 -0.52 0.28 -1.26 -4.82 120.64 114.62 1zyr n GLU 43 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1zyr n GLU 43 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1zyr n GLU 43 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1zyr n GLU 44 N 0.00 0.00 -3.69 3.44 1.02 -1.26 -4.89 120.64 115.26 1zyr n GLU 44 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1zyr n GLU 44 Cb 0.00 -0.97 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1zyr n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1zyr n ARG 45 N 5.29 0.73 -0.08 3.49 5.12 -1.26 -5.01 116.66 124.94 1zyr n ARG 45 Ca 0.40 -2.41 -0.03 0.00 -1.93 0.00 0.00 57.85 53.89 1zyr n ARG 45 Cb 0.00 2.46 -0.00 0.00 -1.16 0.00 0.00 32.46 33.76 1zyr n ARG 45 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1zyr n PRO 46 N -0.51 0.00 -3.61 5.56 -0.02 -1.26 -5.00 135.00 130.16 1zyr n PRO 46 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 1zyr n PRO 46 Cb 0.53 -0.06 -0.06 0.00 -0.02 0.00 0.00 33.50 33.89 1zyr n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1zyr s LYS 47 N -0.06 0.68 0.00 -0.52 -2.85 -1.26 -4.20 119.74 111.52 1zyr s LYS 47 Ca 0.04 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.56 1zyr s LYS 47 Cb -0.05 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1zyr s LYS 47 CO 0.03 -0.13 0.00 -0.12 0.10 0.00 0.00 175.35 175.23 1zyr n MET 48 N 1.85 2.67 0.00 1.78 1.56 -1.26 -4.75 117.12 118.97 1zyr n MET 48 Ca -0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.30 1zyr n MET 48 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 1zyr n MET 48 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1zyr n GLN 49 N 0.00 0.99 0.33 2.12 6.02 -1.26 -4.40 117.38 121.18 1zyr n GLN 49 Ca 0.00 -0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.20 1zyr n GLN 49 Cb 0.00 -0.08 1.14 0.00 1.02 0.00 0.00 30.24 32.32 1zyr n GLN 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1zyr h THR 50 N 0.02 0.10 -1.71 5.09 2.02 -2.02 -3.42 112.91 112.98 1zyr h THR 50 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1zyr h THR 50 Cb 0.01 0.98 -0.18 0.00 -1.74 0.00 0.00 68.15 67.21 1zyr h THR 50 CO 0.00 0.00 0.70 -1.48 0.37 0.00 0.00 175.52 175.11 1zyr s LEU 51 N -6.43 -0.22 -1.17 2.58 0.05 -1.26 -5.05 118.68 107.19 1zyr s LEU 51 Ca -0.05 0.03 -0.21 0.00 0.05 0.00 0.00 54.13 53.95 1zyr s LEU 51 Cb 0.13 1.60 0.03 0.00 -2.05 0.00 0.00 46.19 45.90 1zyr s LEU 51 CO 0.43 -0.35 1.71 -1.61 -0.55 0.00 0.00 176.35 175.98 1zyr s GLU 52 N -2.51 3.50 0.00 1.48 0.41 -1.26 -4.60 118.70 115.72 1zyr s GLU 52 Ca 0.07 -1.46 0.07 0.00 -0.41 0.00 0.00 54.97 53.24 1zyr s GLU 52 Cb -0.01 -5.40 0.02 0.00 -1.78 0.00 0.00 34.13 26.96 1zyr s GLU 52 CO -0.06 -2.63 0.58 0.41 -0.49 0.00 0.00 175.26 173.07 1zyr n GLY 53 N 6.01 -0.38 0.02 -1.39 0.00 -1.26 -4.46 105.19 103.73 1zyr n GLY 53 Ca 0.43 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1zyr n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1zyr n LEU 54 N -0.10 0.08 0.30 0.99 0.00 -1.26 -2.17 117.00 114.84 1zyr n LEU 54 Ca 0.03 0.53 0.18 0.00 0.00 0.00 0.00 56.01 56.75 1zyr n LEU 54 Cb 0.15 -0.52 0.97 0.00 0.00 0.00 0.00 43.42 44.02 1zyr n LEU 54 CO 0.07 -0.38 1.10 -0.26 0.00 0.00 0.00 177.39 177.92 1zyr h PHE 55 N 0.00 0.00 0.00 1.96 0.05 -1.78 -3.35 116.94 113.82 1zyr h PHE 55 Ca 0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 1zyr h PHE 55 Cb 0.17 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.12 1zyr h PHE 55 CO 0.00 0.00 -0.52 -3.47 -0.18 0.00 0.00 178.31 174.14 1zyr n ASP 56 N -2.85 1.53 -2.79 2.17 -0.08 -0.92 -5.01 116.55 108.60 1zyr n ASP 56 Ca -0.02 0.24 -0.01 0.00 -1.51 0.00 0.00 54.79 53.48 1zyr n ASP 56 Cb 0.17 -0.54 0.07 0.00 2.34 0.00 0.00 41.12 43.16 1zyr n ASP 56 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1zyr n ASP 57 N -3.98 0.77 0.00 1.67 5.68 -1.26 -4.85 116.55 114.58 1zyr n ASP 57 Ca -0.07 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1zyr n ASP 57 Cb 0.27 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1zyr n ASP 57 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1zyr n PRO 58 N -0.82 0.00 -2.14 0.11 -0.02 -1.26 -4.87 135.00 126.00 1zyr n PRO 58 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1zyr n PRO 58 Cb 0.82 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.27 1zyr n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1zyr s ASN 59 N -1.10 6.78 0.00 2.55 0.02 -1.26 -4.95 114.94 116.99 1zyr s ASN 59 Ca 0.00 2.26 0.00 0.00 -1.02 0.00 0.00 52.86 54.10 1zyr s ASN 59 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.70 1zyr s ASN 59 CO 0.00 -0.74 0.84 0.00 0.02 0.00 0.00 177.10 177.22 1zyr n ALA 60 N 5.06 -0.42 -0.01 0.60 0.00 -1.26 -3.91 120.51 120.58 1zyr n ALA 60 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1zyr n ALA 60 Cb 0.42 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.35 1zyr n ALA 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1zyr h GLU 61 N 0.00 0.44 -0.66 0.00 -0.00 -1.88 -2.66 114.58 109.81 1zyr h GLU 61 Ca 0.00 -0.03 0.15 0.00 -0.00 0.00 0.00 59.36 59.49 1zyr h GLU 61 Cb 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 28.75 28.61 1zyr h GLU 61 CO 0.00 0.29 0.45 1.15 -0.00 0.00 0.00 179.01 180.90 1zyr h THR 62 N 0.45 0.77 0.33 -1.06 2.02 -1.97 0.14 112.91 113.58 1zyr h THR 62 Ca 0.18 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1zyr h THR 62 Cb 0.16 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1zyr h THR 62 CO -0.04 0.04 -0.16 -0.50 0.37 0.00 0.00 175.52 175.23 1zyr h TRP 63 N 0.23 -0.41 -0.98 3.16 4.06 -1.59 -1.20 115.95 119.21 1zyr h TRP 63 Ca 0.32 -0.01 0.33 0.00 2.06 0.00 0.00 58.89 61.59 1zyr h TRP 63 Cb 0.93 0.14 -0.16 0.00 -1.00 0.00 0.00 29.16 29.07 1zyr h TRP 63 CO -0.00 -0.09 0.45 0.00 -3.56 0.00 0.00 178.44 175.24 1zyr h ALA 64 N -0.65 1.82 0.00 1.49 0.00 -0.94 1.44 119.26 122.43 1zyr h ALA 64 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zyr h ALA 64 Cb 0.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1zyr h ALA 64 CO 0.08 -0.67 -0.03 0.52 0.00 0.00 0.00 179.25 179.14 1zyr h MET 65 N 0.18 0.00 -0.00 0.00 2.86 -0.76 -1.47 114.93 115.73 1zyr h MET 65 Ca 0.72 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1zyr h MET 65 Cb 1.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1zyr h MET 65 CO -0.69 0.00 -0.46 1.17 1.06 0.00 0.00 176.91 177.98 1zyr n LYS 66 N -2.89 0.03 -0.11 1.72 3.00 0.47 -3.41 118.16 116.96 1zyr n LYS 66 Ca 0.04 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.31 58.15 1zyr n LYS 66 Cb 0.51 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.97 1zyr n LYS 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zyr n GLU 67 N -1.47 0.56 0.32 1.64 1.02 0.24 -4.18 120.64 118.76 1zyr n GLU 67 Ca 0.06 0.25 0.20 0.00 -0.02 0.00 0.00 57.16 57.65 1zyr n GLU 67 Cb 0.34 -1.47 1.09 0.00 -0.02 0.00 0.00 31.44 31.38 1zyr n GLU 67 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1zyr h LEU 68 N -1.00 0.00 0.00 -4.62 5.85 -1.45 -1.59 115.31 112.51 1zyr h LEU 68 Ca -0.32 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1zyr h LEU 68 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1zyr h LEU 68 CO -0.20 0.00 -0.09 0.25 -0.34 0.00 0.00 178.44 178.07 1zyr h LEU 69 N 0.00 0.08 -9.37 2.25 6.46 -1.78 -3.43 115.31 109.53 1zyr h LEU 69 Ca 0.00 -0.80 -0.55 0.00 -0.12 0.00 0.00 57.88 56.42 1zyr h LEU 69 Cb 0.09 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1zyr h LEU 69 CO 0.00 0.86 0.60 -0.89 -0.62 0.00 0.00 178.44 178.40 1zyr s THR 70 N -3.03 4.32 0.00 1.05 2.01 -0.60 -4.88 115.64 114.52 1zyr s THR 70 Ca -0.17 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.48 1zyr s THR 70 Cb -0.01 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1zyr s THR 70 CO 0.70 0.05 0.43 0.61 -0.69 0.00 0.00 174.62 175.72 1zyr n GLY 71 N 3.24 0.84 0.25 4.40 0.00 -1.26 -4.07 105.19 108.59 1zyr n GLY 71 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1zyr n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zyr n ARG 72 N 2.79 0.47 -1.13 1.61 1.74 -1.26 -5.03 116.66 115.84 1zyr n ARG 72 Ca 0.00 0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 1zyr n ARG 72 Cb 0.00 -1.31 0.15 0.00 -1.02 0.00 0.00 32.46 30.28 1zyr n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1zyr s LEU 73 N -6.77 2.24 0.06 0.55 1.43 -1.26 -5.07 118.68 109.86 1zyr s LEU 73 Ca -0.28 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1zyr s LEU 73 Cb 0.10 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1zyr s LEU 73 CO 0.40 -2.75 -0.11 -0.69 0.23 0.00 0.00 176.35 173.44 1zyr s VAL 74 N -2.88 0.88 -0.10 -1.59 1.01 -1.26 -5.05 120.40 111.40 1zyr s VAL 74 Ca 0.64 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1zyr s VAL 74 Cb -0.19 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.35 1zyr s VAL 74 CO 0.57 -0.32 0.78 0.72 0.00 0.00 0.00 175.10 176.85 1zyr s PHE 75 N -1.45 -0.58 0.35 5.22 -0.12 -1.26 -5.17 117.98 114.97 1zyr s PHE 75 Ca -0.04 1.05 -0.14 0.00 -0.05 0.00 0.00 56.93 57.74 1zyr s PHE 75 Cb -0.09 0.41 0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1zyr s PHE 75 CO 0.01 -0.51 0.71 0.20 -0.05 0.00 0.00 175.22 175.58 1zyr s GLY 76 N -1.01 0.49 0.26 1.99 0.00 -1.26 -5.03 107.32 102.76 1zyr s GLY 76 Ca -0.07 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1zyr s GLY 76 CO 0.06 -0.41 1.68 -2.09 0.00 0.00 0.00 173.10 172.35 1zyr h GLU 77 N 2.03 0.55 -0.84 2.90 4.22 -2.04 -3.40 114.58 118.01 1zyr h GLU 77 Ca -0.29 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 58.89 1zyr h GLU 77 Cb 1.25 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 1zyr h GLU 77 CO 0.37 0.77 -0.39 -0.80 -2.18 0.00 0.00 179.01 176.78 1zyr s ASN 78 N -6.80 -1.27 -0.25 1.04 0.01 -1.26 -5.06 114.94 101.34 1zyr s ASN 78 Ca -0.07 -0.84 -0.17 0.00 -0.71 0.00 0.00 52.86 51.07 1zyr s ASN 78 Cb 0.13 1.63 -0.14 0.00 0.41 0.00 0.00 41.25 43.28 1zyr s ASN 78 CO 0.80 -0.12 -0.16 -0.11 -1.51 0.00 0.00 177.10 176.01 1zyr n LEU 79 N 3.94 1.92 -3.86 0.60 7.94 -1.26 -4.99 117.00 121.29 1zyr n LEU 79 Ca 0.11 0.37 -0.20 0.00 -1.11 0.00 0.00 56.01 55.19 1zyr n LEU 79 Cb 0.58 -0.87 -0.16 0.00 0.53 0.00 0.00 43.42 43.50 1zyr n LEU 79 CO -0.02 0.46 -0.40 -0.69 -1.11 0.00 0.00 177.39 175.63 1zyr s VAL 80 N -2.46 0.42 -0.42 1.96 1.01 -1.26 -5.09 120.40 114.55 1zyr s VAL 80 Ca -0.35 -0.03 -0.37 0.00 0.00 0.00 0.00 61.98 61.22 1zyr s VAL 80 Cb 0.12 -0.48 -0.16 0.00 0.00 0.00 0.00 36.38 35.85 1zyr s VAL 80 CO 0.52 0.21 1.79 -2.65 0.00 0.00 0.00 175.10 174.97 1zyr n PRO 81 N 4.23 0.00 -0.11 2.72 -0.02 -1.26 -4.83 135.00 135.73 1zyr n PRO 81 Ca -0.23 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.36 1zyr n PRO 81 Cb 0.51 -1.27 0.19 0.00 -0.02 0.00 0.00 33.50 32.91 1zyr n PRO 81 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1zyr n GLU 82 N 6.21 -0.02 -0.09 -0.52 0.00 -1.26 -2.88 120.64 122.08 1zyr n GLU 82 Ca 0.46 0.49 -0.23 0.00 0.00 0.00 0.00 57.16 57.87 1zyr n GLU 82 Cb -0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 31.44 30.43 1zyr n GLU 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1zyr n ASP 83 N -3.87 1.92 0.00 -1.84 4.64 -1.26 -4.21 116.55 111.93 1zyr n ASP 83 Ca 0.12 0.35 0.02 0.00 -1.38 0.00 0.00 54.79 53.91 1zyr n ASP 83 Cb 0.42 -0.91 0.11 0.00 -1.04 0.00 0.00 41.12 39.70 1zyr n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1zyr n ARG 84 N -4.21 0.03 0.05 -0.67 0.63 -1.14 -2.99 116.66 108.36 1zyr n ARG 84 Ca -0.36 0.33 -0.02 0.00 -0.92 0.00 0.00 57.85 56.88 1zyr n ARG 84 Cb 0.79 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.19 1zyr n ARG 84 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1zyr h LEU 85 N 0.00 -0.10 -1.90 6.15 5.85 -1.72 -2.75 115.31 120.84 1zyr h LEU 85 Ca 0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 1zyr h LEU 85 Cb 0.06 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1zyr h LEU 85 CO 0.00 -0.06 0.65 0.06 -0.34 0.00 0.00 178.44 178.75 1zyr h GLN 86 N -0.14 0.00 0.00 1.25 3.07 -1.77 -2.13 115.11 115.40 1zyr h GLN 86 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1zyr h GLN 86 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1zyr h GLN 86 CO 0.02 0.00 0.00 1.17 0.09 0.00 0.00 178.83 180.11 1zyr n LYS 87 N -3.92 0.00 -0.32 0.06 4.81 -1.14 -1.82 118.16 115.82 1zyr n LYS 87 Ca 0.15 0.01 0.19 0.00 -0.87 0.00 0.00 58.31 57.79 1zyr n LYS 87 Cb 0.92 -0.88 0.38 0.00 0.02 0.00 0.00 35.03 35.47 1zyr n LYS 87 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1zyr h GLU 88 N 0.00 0.14 -0.99 1.64 4.39 -1.22 0.15 114.58 118.69 1zyr h GLU 88 Ca 0.00 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1zyr h GLU 88 Cb 0.00 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 1zyr h GLU 88 CO 0.00 0.09 0.64 1.98 -1.16 0.00 0.00 179.01 180.57 1zyr h MET 89 N 0.14 1.15 0.00 2.33 4.05 -1.44 0.42 114.93 121.59 1zyr h MET 89 Ca 0.65 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.00 1zyr h MET 89 Cb 1.46 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1zyr h MET 89 CO -0.73 0.76 0.00 0.39 0.23 0.00 0.00 176.91 177.56 1zyr n GLU 90 N -4.48 0.19 -0.03 0.39 1.02 0.46 -2.92 120.64 115.28 1zyr n GLU 90 Ca 0.15 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1zyr n GLU 90 Cb 0.15 -1.76 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 1zyr n GLU 90 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1zyr n ARG 91 N -2.10 0.65 -0.02 3.49 0.63 0.12 -4.50 116.66 114.92 1zyr n ARG 91 Ca 0.05 0.27 0.06 0.00 -0.92 0.00 0.00 57.85 57.31 1zyr n ARG 91 Cb 0.36 -1.77 -0.15 0.00 0.45 0.00 0.00 32.46 31.35 1zyr n ARG 91 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1zyr n ILE 92 N -3.06 0.39 -3.90 5.15 5.41 0.57 -4.92 119.36 119.00 1zyr n ILE 92 Ca -0.19 -0.59 -0.35 0.00 1.00 0.00 0.00 62.75 62.62 1zyr n ILE 92 Cb 1.06 -0.15 -0.14 0.00 -0.71 0.00 0.00 39.64 39.70 1zyr n ILE 92 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1zyr s TYR 93 N -3.26 3.09 0.31 1.39 1.51 -1.15 -5.08 117.35 114.16 1zyr s TYR 93 Ca -0.08 -1.38 -0.27 0.00 -1.01 0.00 0.00 57.07 54.33 1zyr s TYR 93 Cb 0.12 -2.12 -0.10 0.00 -0.11 0.00 0.00 41.96 39.76 1zyr s TYR 93 CO 0.88 -0.68 0.98 -2.14 -1.11 0.00 0.00 175.55 173.48 1zyr s PRO 94 N 1.38 4.58 0.00 -1.71 0.02 -1.26 -4.76 135.00 133.24 1zyr s PRO 94 Ca 0.01 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.48 1zyr s PRO 94 Cb -0.17 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1zyr s PRO 94 CO -0.02 0.25 0.00 0.41 -0.33 0.00 0.00 177.00 177.31 1zyr n GLY 95 N 0.79 -0.81 3.08 0.52 0.00 -1.26 -4.63 105.19 102.87 1zyr n GLY 95 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1zyr n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50