#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzj s SER 2 N 0.00 1.59 -0.53 1.61 0.01 -1.26 -5.12 113.70 110.00 2dzj s SER 2 Ca 0.00 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.87 2dzj s SER 2 Cb 0.00 0.11 0.14 0.00 0.21 0.00 0.00 66.02 66.47 2dzj s SER 2 CO 0.00 -0.70 0.30 -0.44 0.41 0.00 0.00 173.24 172.81 2dzj s SER 3 N -3.37 4.86 0.00 2.44 0.01 -1.26 -4.92 113.70 111.46 2dzj s SER 3 Ca 0.37 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 54.90 2dzj s SER 3 Cb 0.08 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2dzj s SER 3 CO 0.14 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2dzj n GLY 4 N 3.58 1.91 3.62 3.44 0.00 -1.26 -4.92 105.19 111.56 2dzj n GLY 4 Ca 0.05 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2dzj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dzj s SER 5 N -4.00 6.27 0.42 1.61 0.15 -1.26 -4.99 113.70 111.90 2dzj s SER 5 Ca 0.00 1.62 0.08 0.00 0.70 0.00 0.00 55.95 58.35 2dzj s SER 5 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2dzj s SER 5 CO 0.00 -1.35 0.40 -0.55 1.20 0.00 0.00 173.24 172.94 2dzj s SER 6 N 4.68 5.11 0.00 5.45 0.15 -1.26 -4.85 113.70 122.97 2dzj s SER 6 Ca 0.74 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2dzj s SER 6 Cb -0.26 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2dzj s SER 6 CO 0.31 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2dzj n GLY 7 N -1.59 -2.01 2.03 9.45 0.00 -1.26 -4.85 105.19 106.97 2dzj n GLY 7 Ca 0.04 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 2dzj n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dzj n MET 8 N 0.90 1.91 -3.52 1.61 0.00 -1.26 -4.75 117.12 112.01 2dzj n MET 8 Ca 0.00 -1.60 -0.20 0.00 -0.00 0.00 0.00 57.70 55.91 2dzj n MET 8 Cb 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 33.22 31.56 2dzj n MET 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2dzj n LYS 9 N 0.77 -6.73 -3.14 2.12 4.01 -1.26 -5.01 118.16 108.91 2dzj n LYS 9 Ca 0.34 0.81 -0.21 0.00 -0.51 0.00 0.00 58.31 58.74 2dzj n LYS 9 Cb 0.59 -5.78 0.06 0.00 -0.51 0.00 0.00 35.03 29.39 2dzj n LYS 9 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2dzj s HIS 10 N -3.38 1.21 0.11 2.13 3.76 -1.26 -5.09 115.29 112.76 2dzj s HIS 10 Ca 0.18 -0.79 -0.13 0.00 -0.15 0.00 0.00 55.06 54.16 2dzj s HIS 10 Cb -0.08 -2.15 -0.06 0.00 1.11 0.00 0.00 32.58 31.40 2dzj s HIS 10 CO 0.74 -1.19 0.49 0.71 -0.85 0.00 0.00 174.74 174.64 2dzj s TYR 11 N -2.73 3.62 -0.35 1.40 1.51 -0.88 -4.92 117.35 115.01 2dzj s TYR 11 Ca 0.59 0.99 -0.09 0.00 -1.01 0.00 0.00 57.07 57.55 2dzj s TYR 11 Cb -0.05 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2dzj s TYR 11 CO 0.38 0.49 0.16 -1.21 -1.11 0.00 0.00 175.55 174.25 2dzj s GLU 12 N -1.81 2.83 -0.25 -0.62 8.01 -0.31 -3.14 118.70 123.41 2dzj s GLU 12 Ca 0.34 -1.06 0.01 0.00 0.01 0.00 0.00 54.97 54.28 2dzj s GLU 12 Cb -0.15 -3.59 0.04 0.00 -4.31 0.00 0.00 34.13 26.12 2dzj s GLU 12 CO 0.18 -0.64 -0.10 0.08 0.01 0.00 0.00 175.26 174.79 2dzj s VAL 13 N 1.50 2.40 -0.43 2.63 1.01 -0.28 0.13 120.40 127.36 2dzj s VAL 13 Ca 0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 2dzj s VAL 13 Cb -0.19 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 33.99 2dzj s VAL 13 CO 0.05 0.12 0.28 -1.83 0.00 0.00 0.00 175.10 173.71 2dzj s GLU 14 N 1.20 2.55 -0.70 2.72 -1.05 -1.03 -1.22 118.70 121.18 2dzj s GLU 14 Ca -0.04 -1.55 -0.27 0.00 -0.15 0.00 0.00 54.97 52.96 2dzj s GLU 14 Cb -0.18 -3.80 0.03 0.00 -0.44 0.00 0.00 34.13 29.73 2dzj s GLU 14 CO -0.06 -1.01 1.31 0.42 0.95 0.00 0.00 175.26 176.87 2dzj s ILE 15 N 1.40 3.75 0.44 1.83 1.01 -0.53 -3.11 121.20 125.98 2dzj s ILE 15 Ca 0.04 0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.26 2dzj s ILE 15 Cb -0.24 -4.80 0.01 0.00 0.01 0.00 0.00 42.46 37.44 2dzj s ILE 15 CO 0.01 -1.68 0.55 -0.76 0.00 0.00 0.00 174.94 173.06 2dzj s LEU 16 N 5.85 3.52 0.43 2.97 1.43 0.07 -1.94 118.68 131.01 2dzj s LEU 16 Ca 0.39 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2dzj s LEU 16 Cb -0.08 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2dzj s LEU 16 CO 0.18 -0.81 0.80 -0.62 0.23 0.00 0.00 176.35 176.12 2dzj s ASP 17 N -4.34 6.48 0.00 2.29 2.15 -1.19 0.05 116.67 122.11 2dzj s ASP 17 Ca 0.54 1.14 0.21 0.00 0.43 0.00 0.00 52.55 54.87 2dzj s ASP 17 Cb -0.08 -2.33 0.68 0.00 -0.30 0.00 0.00 42.92 40.89 2dzj s ASP 17 CO 0.32 -0.46 1.51 0.00 -0.17 0.00 0.00 175.17 176.38 2dzj n ALA 18 N -1.52 2.50 0.03 3.66 0.00 -0.96 -2.76 120.51 121.47 2dzj n ALA 18 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2dzj n ALA 18 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2dzj n ALA 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2dzj n LYS 19 N 0.53 0.00 0.00 0.00 0.00 -1.26 -4.83 118.16 112.60 2dzj n LYS 19 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.60 2dzj n LYS 19 Cb 0.38 -0.21 0.28 0.00 0.00 0.00 0.00 35.03 35.47 2dzj n LYS 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dzj n THR 20 N -3.00 0.00 -3.99 3.15 -2.24 -1.26 -4.96 114.28 101.98 2dzj n THR 20 Ca 0.00 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 2dzj n THR 20 Cb 0.00 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 2dzj n THR 20 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dzj n ARG 21 N -1.15 -2.63 -3.99 -0.78 1.74 -1.11 -4.90 116.66 103.85 2dzj n ARG 21 Ca 0.08 0.35 -0.36 0.00 -0.77 0.00 0.00 57.85 57.15 2dzj n ARG 21 Cb 0.34 -4.26 -0.07 0.00 -1.02 0.00 0.00 32.46 27.44 2dzj n ARG 21 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dzj s GLU 22 N -6.66 3.45 -0.36 5.56 2.02 -1.26 -4.62 118.70 116.82 2dzj s GLU 22 Ca 0.06 -0.22 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 2dzj s GLU 22 Cb -0.03 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 2dzj s GLU 22 CO 0.91 0.68 2.31 1.17 0.02 0.00 0.00 175.26 180.35 2dzj n LYS 23 N 2.28 1.44 -0.03 1.61 3.00 -1.26 -3.17 118.16 122.03 2dzj n LYS 23 Ca -0.19 0.28 -0.19 0.00 -0.00 0.00 0.00 58.31 58.21 2dzj n LYS 23 Cb 0.54 -3.18 -0.14 0.00 0.00 0.00 0.00 35.03 32.26 2dzj n LYS 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dzj n LEU 24 N 13.12 2.40 -3.67 3.14 4.77 -0.82 -5.00 117.00 130.94 2dzj n LEU 24 Ca 0.35 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2dzj n LEU 24 Cb 0.45 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2dzj n LEU 24 CO 0.70 0.81 0.18 0.00 -1.33 0.00 0.00 177.39 177.75 2dzj s PHE 26 N -1.10 0.92 -0.48 0.00 5.36 -1.26 -1.45 117.98 119.97 2dzj s PHE 26 Ca -0.11 -0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 54.78 2dzj s PHE 26 Cb -0.03 -1.11 0.12 0.00 -0.34 0.00 0.00 43.02 41.66 2dzj s PHE 26 CO 0.06 -0.70 0.36 -0.51 -1.46 0.00 0.00 175.22 172.97 2dzj s LEU 27 N 1.89 5.73 -0.13 6.12 1.43 -0.36 -4.90 118.68 128.46 2dzj s LEU 27 Ca 0.04 -1.88 0.14 0.00 -1.03 0.00 0.00 54.13 51.40 2dzj s LEU 27 Cb -0.17 -2.03 0.65 0.00 0.03 0.00 0.00 46.19 44.67 2dzj s LEU 27 CO -0.17 -0.71 1.53 -0.67 0.23 0.00 0.00 176.35 176.56 2dzj n ASP 28 N 4.94 4.45 -2.63 2.29 2.03 -1.26 -1.13 116.55 125.25 2dzj n ASP 28 Ca -0.09 -2.52 -0.08 0.00 0.52 0.00 0.00 54.79 52.63 2dzj n ASP 28 Cb 0.41 -0.58 0.04 0.00 -0.72 0.00 0.00 41.12 40.27 2dzj n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dzj n LYS 29 N 0.81 2.08 -3.76 -0.67 5.02 -1.21 -4.34 118.16 116.09 2dzj n LYS 29 Ca 0.23 -3.65 -0.29 0.00 -2.02 0.00 0.00 58.31 52.58 2dzj n LYS 29 Cb 0.87 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2dzj n LYS 29 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dzj s VAL 30 N -3.94 5.24 0.23 -0.18 1.01 -1.19 -4.89 120.40 116.69 2dzj s VAL 30 Ca 0.33 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 2dzj s VAL 30 Cb 0.37 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 2dzj s VAL 30 CO -0.02 -0.06 0.61 -1.61 0.00 0.00 0.00 175.10 174.03 2dzj s GLU 31 N -3.00 3.94 0.30 2.72 0.41 -1.26 -2.07 118.70 119.74 2dzj s GLU 31 Ca 0.38 0.48 0.08 0.00 -0.41 0.00 0.00 54.97 55.51 2dzj s GLU 31 Cb -0.12 -2.69 0.46 0.00 -1.78 0.00 0.00 34.13 30.00 2dzj s GLU 31 CO 0.28 0.33 1.69 -1.00 -0.49 0.00 0.00 175.26 176.07 2dzj h PRO 32 N 2.83 0.14 0.00 0.39 0.13 -1.98 -2.79 132.00 130.72 2dzj h PRO 32 Ca -0.48 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2dzj h PRO 32 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dzj h PRO 32 CO 0.67 0.59 -0.19 1.12 -0.23 0.00 0.00 178.00 179.96 2dzj h HIS 33 N 0.12 0.00 -2.42 1.56 2.07 -1.94 -2.40 115.15 112.13 2dzj h HIS 33 Ca 0.01 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 2dzj h HIS 33 Cb 0.88 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.91 2dzj h HIS 33 CO 0.01 0.00 0.98 0.00 -3.07 0.00 0.00 177.93 175.85 2dzj n ALA 34 N -1.85 1.98 -2.21 6.11 0.00 -1.06 -4.80 120.51 118.68 2dzj n ALA 34 Ca 0.05 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 2dzj n ALA 34 Cb 0.45 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.43 2dzj n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dzj s THR 35 N 1.85 4.29 0.27 0.00 -4.23 -1.26 -3.00 115.64 113.56 2dzj s THR 35 Ca 0.80 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2dzj s THR 35 Cb -0.57 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 69.88 2dzj s THR 35 CO 0.37 -0.63 1.71 0.40 -0.54 0.00 0.00 174.62 175.94 2dzj h ILE 36 N 0.09 0.55 -0.59 2.99 1.08 -1.53 -0.35 117.51 119.74 2dzj h ILE 36 Ca -0.46 -0.15 0.12 0.00 -0.39 0.00 0.00 64.86 63.98 2dzj h ILE 36 Cb 1.23 0.08 -0.10 0.00 -3.07 0.00 0.00 36.82 34.96 2dzj h ILE 36 CO 0.61 0.08 -0.04 0.00 -0.69 0.00 0.00 178.15 178.11 2dzj h ALA 37 N 1.65 0.53 -0.36 1.87 0.00 -1.87 -1.06 119.26 120.03 2dzj h ALA 37 Ca 0.51 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 2dzj h ALA 37 Cb 0.89 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2dzj h ALA 37 CO -0.48 -0.40 0.11 0.93 0.00 0.00 0.00 179.25 179.40 2dzj h GLU 38 N 0.08 0.56 -1.04 0.00 4.39 -1.46 -2.75 114.58 114.37 2dzj h GLU 38 Ca 0.30 -0.13 0.26 0.00 0.34 0.00 0.00 59.36 60.14 2dzj h GLU 38 Cb 0.48 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.95 2dzj h GLU 38 CO -0.53 0.59 0.65 0.82 -1.16 0.00 0.00 179.01 179.38 2dzj h ILE 39 N 0.43 0.52 -0.47 3.13 1.08 -0.62 0.21 117.51 121.79 2dzj h ILE 39 Ca 0.12 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.35 2dzj h ILE 39 Cb 0.27 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 2dzj h ILE 39 CO -0.00 0.08 -0.05 0.11 -0.69 0.00 0.00 178.15 177.59 2dzj h LYS 40 N 0.44 0.86 -0.70 2.37 1.57 -1.10 -3.03 116.57 116.98 2dzj h LYS 40 Ca 0.61 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 59.15 2dzj h LYS 40 Cb 1.45 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.64 2dzj h LYS 40 CO -0.35 0.94 0.39 -0.91 -0.57 0.00 0.00 179.45 178.95 2dzj h ASN 41 N 0.71 0.59 0.07 0.86 2.35 -0.52 -2.58 115.58 117.06 2dzj h ASN 41 Ca 0.13 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2dzj h ASN 41 Cb 0.58 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2dzj h ASN 41 CO 0.03 0.38 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.06 2dzj h LEU 42 N 0.72 -0.17 -0.94 1.61 3.38 -1.32 -2.82 115.31 115.77 2dzj h LEU 42 Ca 0.31 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.53 2dzj h LEU 42 Cb 0.19 0.05 -0.18 0.00 0.09 0.00 0.00 40.66 40.81 2dzj h LEU 42 CO -0.18 -0.09 -0.05 0.33 0.09 0.00 0.00 178.44 178.54 2dzj n PHE 43 N -2.62 0.53 -0.29 1.13 -0.00 -1.17 0.90 117.46 115.95 2dzj n PHE 43 Ca -0.02 1.14 0.10 0.00 -0.00 0.00 0.00 57.45 58.68 2dzj n PHE 43 Cb 0.06 -1.16 0.24 0.00 -0.00 0.00 0.00 39.48 38.62 2dzj n PHE 43 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2dzj h THR 44 N 0.00 0.31 -0.26 -2.13 2.02 -1.21 -2.22 112.91 109.43 2dzj h THR 44 Ca 0.54 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.69 2dzj h THR 44 Cb 1.05 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2dzj h THR 44 CO -0.91 0.03 -0.15 0.29 0.37 0.00 0.00 175.52 175.15 2dzj n LYS 45 N -5.28 -0.11 0.00 6.66 5.02 0.26 -0.57 118.16 124.14 2dzj n LYS 45 Ca 0.19 0.92 -0.10 0.00 -2.02 0.00 0.00 58.31 57.29 2dzj n LYS 45 Cb 0.61 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 2dzj n LYS 45 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2dzj h THR 46 N 0.00 0.80 -3.49 -0.18 2.02 -1.55 -3.35 112.91 107.16 2dzj h THR 46 Ca 0.04 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.53 2dzj h THR 46 Cb 0.11 0.80 -0.35 0.00 -1.74 0.00 0.00 68.15 66.97 2dzj h THR 46 CO -0.24 0.00 -0.50 -1.00 0.37 0.00 0.00 175.52 174.14 2dzj s HIS 47 N -6.19 3.54 0.21 3.16 3.76 0.26 -4.95 115.29 115.09 2dzj s HIS 47 Ca -0.14 -2.47 -0.03 0.00 -0.15 0.00 0.00 55.06 52.27 2dzj s HIS 47 Cb 0.09 -3.23 0.17 0.00 1.11 0.00 0.00 32.58 30.72 2dzj s HIS 47 CO 0.67 -0.94 1.57 -1.00 -0.85 0.00 0.00 174.74 174.19 2dzj h PRO 48 N 7.82 0.61 -0.17 8.40 0.13 -1.46 -3.02 132.00 144.31 2dzj h PRO 48 Ca -0.11 -0.32 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2dzj h PRO 48 Cb 1.03 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2dzj h PRO 48 CO 0.71 0.92 0.12 1.96 -0.23 0.00 0.00 178.00 181.47 2dzj h GLN 49 N 0.50 0.18 -6.02 0.86 4.20 -1.92 -3.36 115.11 109.56 2dzj h GLN 49 Ca 0.04 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.14 2dzj h GLN 49 Cb 0.94 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.57 2dzj h GLN 49 CO 0.08 0.12 1.24 -1.58 -0.67 0.00 0.00 178.83 178.03 2dzj s TRP 50 N -5.21 2.54 0.70 2.96 0.52 -1.14 -5.00 118.94 114.30 2dzj s TRP 50 Ca -0.06 -0.66 -0.11 0.00 0.02 0.00 0.00 56.10 55.29 2dzj s TRP 50 Cb 0.17 -4.61 0.01 0.00 -1.15 0.00 0.00 33.47 27.89 2dzj s TRP 50 CO 0.69 -1.91 1.06 1.52 0.02 0.00 0.00 176.95 178.34 2dzj s TYR 51 N 4.88 3.12 0.29 -1.98 1.13 -1.26 -4.61 117.35 118.92 2dzj s TYR 51 Ca 0.40 1.40 0.15 0.00 -1.41 0.00 0.00 57.07 57.61 2dzj s TYR 51 Cb -0.04 -2.88 0.69 0.00 -1.10 0.00 0.00 41.96 38.62 2dzj s TYR 51 CO -0.02 -1.24 1.77 -1.00 -2.51 0.00 0.00 175.55 172.56 2dzj h PRO 52 N -0.72 0.00 -0.06 -3.49 0.13 -1.90 -1.86 132.00 124.10 2dzj h PRO 52 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2dzj h PRO 52 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dzj h PRO 52 CO 0.57 0.41 0.06 0.00 -0.23 0.00 0.00 178.00 178.81 2dzj h ALA 53 N 1.59 1.75 0.00 -0.56 0.00 -2.01 -3.06 119.26 116.97 2dzj h ALA 53 Ca -0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 2dzj h ALA 53 Cb 0.80 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2dzj h ALA 53 CO 0.05 -0.09 -2.47 -2.13 0.00 0.00 0.00 179.25 174.62 2dzj n ARG 54 N -4.05 0.59 -1.52 0.00 0.63 -1.10 -4.89 116.66 106.32 2dzj n ARG 54 Ca -0.02 0.20 -0.36 0.00 -0.92 0.00 0.00 57.85 56.75 2dzj n ARG 54 Cb 0.15 -1.47 -0.10 0.00 0.45 0.00 0.00 32.46 31.49 2dzj n ARG 54 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2dzj n GLN 55 N -3.78 0.43 -3.69 -0.14 6.02 -0.72 -4.44 117.38 111.07 2dzj n GLN 55 Ca -0.49 -0.05 -0.36 0.00 -0.01 0.00 0.00 57.00 56.10 2dzj n GLN 55 Cb 0.92 -2.34 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 2dzj n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dzj s SER 56 N 9.83 6.31 0.03 1.08 0.15 -1.25 -4.90 113.70 124.94 2dzj s SER 56 Ca 1.19 0.35 0.08 0.00 0.70 0.00 0.00 55.95 58.27 2dzj s SER 56 Cb -0.75 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 61.41 2dzj s SER 56 CO 0.38 0.19 -0.21 -0.76 1.20 0.00 0.00 173.24 174.05 2dzj s LEU 57 N 0.17 2.45 -0.12 3.45 1.43 -1.25 -2.47 118.68 122.34 2dzj s LEU 57 Ca 0.12 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2dzj s LEU 57 Cb -0.12 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.70 2dzj s LEU 57 CO 0.01 0.26 0.30 -0.13 0.23 0.00 0.00 176.35 177.02 2dzj s ARG 58 N -1.30 0.31 0.64 1.70 0.52 -0.95 -1.02 118.95 118.84 2dzj s ARG 58 Ca 0.13 0.50 0.38 0.00 -0.52 0.00 0.00 55.73 56.22 2dzj s ARG 58 Cb -0.10 0.05 2.13 0.00 0.52 0.00 0.00 34.95 37.55 2dzj s ARG 58 CO 0.04 -0.09 2.28 -0.07 0.02 0.00 0.00 175.30 177.48 2dzj h LEU 59 N 6.34 0.00 -7.46 2.53 3.38 -1.84 -2.18 115.31 116.08 2dzj h LEU 59 Ca -0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2dzj h LEU 59 Cb 1.18 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 2dzj h LEU 59 CO 0.33 0.00 -0.19 -1.81 0.09 0.00 0.00 178.44 176.86 2dzj s ASP 60 N -5.47 -0.22 0.02 -0.43 1.01 -1.26 -4.86 116.67 105.46 2dzj s ASP 60 Ca -0.05 -0.02 0.15 0.00 0.71 0.00 0.00 52.55 53.35 2dzj s ASP 60 Cb 0.14 0.37 0.64 0.00 1.01 0.00 0.00 42.92 45.08 2dzj s ASP 60 CO 0.45 -0.59 1.48 -0.81 0.21 0.00 0.00 175.17 175.92 2dzj n PRO 61 N 0.76 0.02 -0.58 8.23 -0.04 -1.26 -2.50 135.00 139.62 2dzj n PRO 61 Ca -0.19 0.27 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2dzj n PRO 61 Cb 0.58 -1.54 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2dzj n PRO 61 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dzj n LYS 62 N -1.57 0.81 0.00 0.54 5.02 -1.26 -5.02 118.16 116.68 2dzj n LYS 62 Ca 0.03 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 2dzj n LYS 62 Cb 0.17 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2dzj n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dzj n GLY 63 N -0.64 0.56 2.11 0.72 0.00 -1.04 -5.16 105.19 101.74 2dzj n GLY 63 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2dzj n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dzj n LYS 64 N 0.00 0.44 -2.87 1.61 2.85 -1.26 -5.04 118.16 113.89 2dzj n LYS 64 Ca 0.00 -2.18 -0.41 0.00 -1.05 0.00 0.00 58.31 54.66 2dzj n LYS 64 Cb 0.00 1.54 -0.04 0.00 -0.65 0.00 0.00 35.03 35.89 2dzj n LYS 64 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2dzj s SER 65 N -2.55 7.03 0.85 -5.58 1.04 -1.26 -4.46 113.70 108.77 2dzj s SER 65 Ca 0.21 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 2dzj s SER 65 Cb 0.01 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.76 2dzj s SER 65 CO 0.15 -0.36 1.09 -0.76 0.98 0.00 0.00 173.24 174.34 2dzj s LEU 66 N 1.90 2.62 0.03 2.42 1.43 -0.19 -5.02 118.68 121.87 2dzj s LEU 66 Ca 0.40 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2dzj s LEU 66 Cb -0.17 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 2dzj s LEU 66 CO 0.15 -2.46 -0.04 -0.54 0.23 0.00 0.00 176.35 173.69 2dzj s LYS 67 N -4.88 0.41 0.26 1.70 1.02 -1.26 -4.87 119.74 112.12 2dzj s LYS 67 Ca 0.63 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 2dzj s LYS 67 Cb -0.18 0.03 0.41 0.00 -0.52 0.00 0.00 37.83 37.56 2dzj s LYS 67 CO 0.57 -0.03 1.59 0.38 -0.92 0.00 0.00 175.35 176.93 2dzj h ASP 68 N 4.38 -0.72 -0.98 2.83 2.03 -1.96 0.30 116.42 122.31 2dzj h ASP 68 Ca -0.33 0.25 0.36 0.00 -0.73 0.00 0.00 57.03 56.58 2dzj h ASP 68 Cb 1.20 0.50 -0.12 0.00 -0.83 0.00 0.00 39.33 40.08 2dzj h ASP 68 CO 0.45 -0.28 0.60 -1.84 -1.03 0.00 0.00 179.24 177.14 2dzj n GLU 69 N -5.52 -0.03 -2.04 4.15 0.28 -1.26 -3.51 120.64 112.71 2dzj n GLU 69 Ca 0.14 1.01 -0.36 0.00 -0.16 0.00 0.00 57.16 57.78 2dzj n GLU 69 Cb 0.46 -1.93 0.02 0.00 1.43 0.00 0.00 31.44 31.43 2dzj n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dzj s ASP 70 N -4.44 5.42 0.05 -1.84 1.01 0.11 -4.95 116.67 112.03 2dzj s ASP 70 Ca -0.06 2.42 0.02 0.00 0.71 0.00 0.00 52.55 55.64 2dzj s ASP 70 Cb 0.25 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2dzj s ASP 70 CO 0.63 -1.44 -0.08 -0.69 0.21 0.00 0.00 175.17 173.80 2dzj s VAL 71 N -1.55 0.57 -1.05 -1.27 1.01 -1.26 -2.56 120.40 114.29 2dzj s VAL 71 Ca 0.74 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2dzj s VAL 71 Cb -0.31 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2dzj s VAL 71 CO 0.35 -0.40 1.01 0.18 0.00 0.00 0.00 175.10 176.25 2dzj n LEU 72 N 1.39 0.00 -0.01 3.92 4.77 -1.16 -0.20 117.00 125.72 2dzj n LEU 72 Ca -0.22 0.47 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 2dzj n LEU 72 Cb 0.55 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2dzj n LEU 72 CO 0.21 -0.46 -0.61 0.00 -1.33 0.00 0.00 177.39 175.21 2dzj n GLN 73 N -1.47 0.35 -0.02 3.23 10.64 -0.91 -4.59 117.38 124.60 2dzj n GLN 73 Ca 0.00 -0.08 -0.09 0.00 -1.83 0.00 0.00 57.00 55.00 2dzj n GLN 73 Cb 0.01 -1.21 -0.14 0.00 -0.86 0.00 0.00 30.24 28.04 2dzj n GLN 73 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2dzj n LYS 74 N -1.82 0.64 -1.25 2.61 4.76 -0.17 -4.94 118.16 117.99 2dzj n LYS 74 Ca -0.02 0.29 -0.34 0.00 -2.87 0.00 0.00 58.31 55.37 2dzj n LYS 74 Cb 0.25 -1.78 0.11 0.00 -1.84 0.00 0.00 35.03 31.77 2dzj n LYS 74 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2dzj s LEU 75 N -6.14 3.23 0.00 -0.35 2.34 0.72 -4.82 118.68 113.67 2dzj s LEU 75 Ca -0.06 2.41 0.00 0.00 0.06 0.00 0.00 54.13 56.54 2dzj s LEU 75 Cb 0.08 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 2dzj s LEU 75 CO 0.82 -2.52 0.37 -0.81 -1.06 0.00 0.00 176.35 173.15 2dzj n PRO 76 N -3.01 0.49 -4.48 1.48 -0.04 -1.26 -4.74 135.00 123.44 2dzj n PRO 76 Ca 0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.33 2dzj n PRO 76 Cb 0.50 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2dzj n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dzj s VAL 77 N -0.24 2.13 0.00 0.52 1.01 -1.26 -5.16 120.40 117.40 2dzj s VAL 77 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2dzj s VAL 77 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2dzj s VAL 77 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2dzj n GLY 78 N -1.02 3.56 0.30 4.51 0.00 -1.26 -4.88 105.19 106.41 2dzj n GLY 78 Ca -0.04 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.15 2dzj n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dzj h THR 79 N 0.00 0.51 -2.40 2.61 1.35 -1.94 -3.24 112.91 109.80 2dzj h THR 79 Ca 0.00 -0.14 -0.69 0.00 -0.55 0.00 0.00 66.41 65.03 2dzj h THR 79 Cb 0.00 0.08 -0.18 0.00 -1.73 0.00 0.00 68.15 66.33 2dzj h THR 79 CO 0.00 0.07 0.87 -0.89 -0.25 0.00 0.00 175.52 175.32 2dzj s THR 80 N -5.94 4.76 0.21 6.82 2.01 -1.26 -1.17 115.64 121.08 2dzj s THR 80 Ca -0.12 -1.67 -0.13 0.00 0.31 0.00 0.00 61.69 60.08 2dzj s THR 80 Cb 0.24 -4.79 -0.07 0.00 0.01 0.00 0.00 72.50 67.89 2dzj s THR 80 CO 0.77 -1.51 0.59 0.00 -0.69 0.00 0.00 174.62 173.79 2dzj s ALA 81 N 2.57 3.52 -0.08 7.40 0.00 0.12 -4.98 121.76 130.31 2dzj s ALA 81 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2dzj s ALA 81 Cb -0.05 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.53 2dzj s ALA 81 CO -0.09 0.44 -0.10 0.99 0.00 0.00 0.00 175.76 177.01 2dzj s THR 82 N -1.68 1.03 0.13 0.00 2.01 -1.26 -2.45 115.64 113.42 2dzj s THR 82 Ca 0.44 -0.37 0.11 0.00 0.31 0.00 0.00 61.69 62.18 2dzj s THR 82 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 2dzj s THR 82 CO 0.20 0.35 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.45 2dzj s LEU 83 N 1.08 2.32 -0.10 4.42 1.43 -1.18 -4.70 118.68 121.95 2dzj s LEU 83 Ca -0.07 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2dzj s LEU 83 Cb -0.14 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 2dzj s LEU 83 CO -0.01 0.16 -0.12 -0.31 0.23 0.00 0.00 176.35 176.30 2dzj s TYR 84 N -1.09 2.81 -0.04 0.29 2.02 -0.82 -0.75 117.35 119.77 2dzj s TYR 84 Ca 0.13 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 2dzj s TYR 84 Cb -0.10 -1.78 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2dzj s TYR 84 CO 0.06 -0.02 0.28 0.12 -1.57 0.00 0.00 175.55 174.42 2dzj s PHE 85 N -0.09 3.64 -0.08 2.71 2.19 0.11 -2.24 117.98 124.23 2dzj s PHE 85 Ca -0.01 0.73 -0.00 0.00 0.33 0.00 0.00 56.93 57.97 2dzj s PHE 85 Cb -0.14 -2.10 0.03 0.00 -1.31 0.00 0.00 43.02 39.50 2dzj s PHE 85 CO 0.03 0.67 -0.04 0.50 1.83 0.00 0.00 175.22 178.21 2dzj s ARG 86 N -1.24 0.99 -0.05 10.12 6.06 -1.03 -2.28 118.95 131.52 2dzj s ARG 86 Ca 0.22 -0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 53.08 2dzj s ARG 86 Cb -0.14 -1.16 -0.06 0.00 0.06 0.00 0.00 34.95 33.65 2dzj s ARG 86 CO 0.11 -0.23 1.74 0.16 -2.50 0.00 0.00 175.30 174.57 2dzj s ASP 87 N 1.63 6.57 0.00 -2.12 -4.77 -1.26 -3.96 116.67 112.76 2dzj s ASP 87 Ca 0.01 2.29 0.22 0.00 -3.30 0.00 0.00 52.55 51.77 2dzj s ASP 87 Cb -0.13 -2.53 0.17 0.00 -1.09 0.00 0.00 42.92 39.34 2dzj s ASP 87 CO -0.05 -1.00 1.18 0.18 0.70 0.00 0.00 175.17 176.19