#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 -0.23 0.14 1.61 0.01 -1.26 -5.05 113.70 108.93 2dzj s SER 2 Ca 0.00 0.87 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 2dzj s SER 2 Cb 0.00 1.03 0.02 0.00 0.21 0.00 0.00 66.02 67.27 2dzj s SER 2 CO 0.00 -0.22 1.72 0.28 0.41 0.00 0.00 173.24 175.43 2dzj h SER 3 N 7.84 -0.08 -4.63 2.44 0.02 -2.10 -3.49 113.55 113.56 2dzj h SER 3 Ca -0.23 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2dzj h SER 3 Cb 1.13 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2dzj h SER 3 CO 0.19 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 2dzj n GLY 4 N -1.21 0.34 4.25 -3.77 0.00 -1.26 -4.94 105.19 98.60 2dzj n GLY 4 Ca -0.01 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 2dzj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dzj n SER 5 N -0.80 -2.13 -3.64 1.61 3.41 -1.26 -4.90 113.62 105.91 2dzj n SER 5 Ca 0.00 -1.08 -0.07 0.00 -0.26 0.00 0.00 58.87 57.46 2dzj n SER 5 Cb 0.00 -2.48 -0.07 0.00 -0.26 0.00 0.00 64.21 61.40 2dzj n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dzj s SER 6 N -3.57 -0.45 -0.29 4.04 1.04 -1.26 -5.17 113.70 108.03 2dzj s SER 6 Ca 0.57 0.83 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 2dzj s SER 6 Cb -0.31 0.93 0.18 0.00 0.10 0.00 0.00 66.02 66.91 2dzj s SER 6 CO 0.95 -0.14 1.29 -0.83 0.98 0.00 0.00 173.24 175.49 2dzj s GLY 7 N 0.51 0.32 0.12 7.32 0.00 -1.26 -5.01 107.32 109.31 2dzj s GLY 7 Ca 0.00 3.44 0.05 0.00 0.00 0.00 0.00 44.72 48.22 2dzj s GLY 7 CO -0.09 2.20 0.02 -0.29 0.00 0.00 0.00 173.10 174.94 2dzj s MET 8 N 0.44 2.59 -1.20 2.90 0.00 -1.26 -5.05 119.30 117.72 2dzj s MET 8 Ca 0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 55.69 54.69 2dzj s MET 8 Cb -0.04 -2.53 0.19 0.00 0.00 0.00 0.00 34.83 32.45 2dzj s MET 8 CO -0.13 0.52 1.40 1.63 0.00 0.00 0.00 175.02 178.44 2dzj n LYS 9 N 0.30 3.42 -4.44 4.11 4.76 -1.26 -4.95 118.16 120.09 2dzj n LYS 9 Ca -0.10 -3.96 -0.24 0.00 -2.87 0.00 0.00 58.31 51.14 2dzj n LYS 9 Cb 0.53 -2.94 -0.08 0.00 -1.84 0.00 0.00 35.03 30.70 2dzj n LYS 9 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2dzj s HIS 10 N 0.94 1.78 -0.01 2.13 3.76 -1.26 -5.06 115.29 117.58 2dzj s HIS 10 Ca 0.40 -1.46 -0.06 0.00 -0.15 0.00 0.00 55.06 53.79 2dzj s HIS 10 Cb -0.04 -0.99 -0.05 0.00 1.11 0.00 0.00 32.58 32.61 2dzj s HIS 10 CO -0.01 -0.54 0.25 0.71 -0.85 0.00 0.00 174.74 174.30 2dzj s TYR 11 N -3.26 3.58 -0.39 1.40 1.51 -0.51 -4.91 117.35 114.78 2dzj s TYR 11 Ca 0.29 0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 56.78 2dzj s TYR 11 Cb 0.02 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2dzj s TYR 11 CO 0.20 0.63 0.23 -1.21 -1.11 0.00 0.00 175.55 174.29 2dzj s GLU 12 N -1.69 2.84 -0.21 -0.62 2.02 -0.73 -3.09 118.70 117.22 2dzj s GLU 12 Ca 0.26 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2dzj s GLU 12 Cb -0.13 -3.80 0.03 0.00 0.10 0.00 0.00 34.13 30.33 2dzj s GLU 12 CO 0.15 -0.73 -0.16 0.08 0.02 0.00 0.00 175.26 174.63 2dzj s VAL 13 N 1.58 2.19 -0.43 2.63 1.01 0.64 -0.35 120.40 127.66 2dzj s VAL 13 Ca 0.03 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2dzj s VAL 13 Cb -0.19 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.24 2dzj s VAL 13 CO 0.07 0.33 0.25 -1.83 0.00 0.00 0.00 175.10 173.93 2dzj s GLU 14 N 1.24 2.31 -0.72 2.72 -1.05 -1.10 -0.97 118.70 121.13 2dzj s GLU 14 Ca 0.00 -1.70 -0.26 0.00 -0.15 0.00 0.00 54.97 52.86 2dzj s GLU 14 Cb -0.15 -3.72 0.00 0.00 -0.44 0.00 0.00 34.13 29.82 2dzj s GLU 14 CO -0.10 -1.07 1.59 0.42 0.95 0.00 0.00 175.26 177.05 2dzj s ILE 15 N 1.28 3.56 0.42 1.83 1.01 -0.86 -3.14 121.20 125.30 2dzj s ILE 15 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.93 2dzj s ILE 15 Cb -0.24 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 37.79 2dzj s ILE 15 CO -0.02 -1.40 0.59 -0.76 0.00 0.00 0.00 174.94 173.36 2dzj s LEU 16 N 7.42 3.69 0.46 2.97 1.43 0.56 -2.48 118.68 132.74 2dzj s LEU 16 Ca 0.52 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 2dzj s LEU 16 Cb -0.09 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 2dzj s LEU 16 CO 0.14 -0.71 0.81 -0.62 0.23 0.00 0.00 176.35 176.20 2dzj s ASP 17 N -4.29 6.38 0.00 2.29 2.15 -1.20 0.30 116.67 122.31 2dzj s ASP 17 Ca 0.51 1.09 0.27 0.00 0.43 0.00 0.00 52.55 54.85 2dzj s ASP 17 Cb -0.10 -2.31 0.82 0.00 -0.30 0.00 0.00 42.92 41.03 2dzj s ASP 17 CO 0.34 -0.53 1.61 0.00 -0.17 0.00 0.00 175.17 176.41 2dzj n ALA 18 N -1.87 2.82 0.02 3.66 0.00 -0.13 -2.89 120.51 122.11 2dzj n ALA 18 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.01 2dzj n ALA 18 Cb 0.54 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.08 0.01 0.00 0.00 4.81 -1.26 -4.79 118.16 116.84 2dzj n LYS 19 Ca 0.15 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.73 2dzj n LYS 19 Cb 0.37 -0.21 0.50 0.00 0.02 0.00 0.00 35.03 35.72 2dzj n LYS 19 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2dzj n THR 20 N -2.89 0.00 -3.22 3.15 -2.24 -1.26 -4.91 114.28 102.90 2dzj n THR 20 Ca -0.00 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 2dzj n THR 20 Cb 0.01 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.64 -2.36 -2.99 -0.78 1.74 -1.14 -4.87 116.66 105.62 2dzj n ARG 21 Ca 0.14 0.16 -0.39 0.00 -0.77 0.00 0.00 57.85 56.99 2dzj n ARG 21 Cb 0.32 -4.72 -0.06 0.00 -1.02 0.00 0.00 32.46 26.97 2dzj n ARG 21 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2dzj s GLU 22 N -5.81 4.56 -0.24 5.56 2.56 -1.26 -4.48 118.70 119.59 2dzj s GLU 22 Ca 0.31 1.15 -0.28 0.00 0.00 0.00 0.00 54.97 56.14 2dzj s GLU 22 Cb -0.17 -3.26 -0.05 0.00 2.00 0.00 0.00 34.13 32.64 2dzj s GLU 22 CO 0.37 0.57 2.21 0.21 -0.56 0.00 0.00 175.26 178.06 2dzj s LYS 23 N -1.11 3.08 -0.17 4.30 2.47 -1.26 -3.21 119.74 123.83 2dzj s LYS 23 Ca 0.36 1.96 -0.12 0.00 -1.56 0.00 0.00 55.97 56.61 2dzj s LYS 23 Cb -0.23 -4.38 -0.22 0.00 -1.46 0.00 0.00 37.83 31.54 2dzj s LYS 23 CO 0.26 -2.16 0.21 1.28 0.16 0.00 0.00 175.35 175.10 2dzj n LEU 24 N 11.85 2.36 -3.65 5.43 4.77 -1.03 -5.02 117.00 131.71 2dzj n LEU 24 Ca 0.30 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 2dzj n LEU 24 Cb 0.46 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 2dzj n LEU 24 CO 0.66 0.65 0.18 0.00 -1.33 0.00 0.00 177.39 177.55 2dzj s PHE 26 N -2.28 0.96 -0.40 0.00 5.36 -1.26 -2.03 117.98 118.34 2dzj s PHE 26 Ca -0.06 -0.95 -0.08 0.00 -0.96 0.00 0.00 56.93 54.88 2dzj s PHE 26 Cb -0.01 -1.09 0.07 0.00 -0.34 0.00 0.00 43.02 41.65 2dzj s PHE 26 CO -0.01 -0.67 0.22 -0.51 -1.46 0.00 0.00 175.22 172.79 2dzj s LEU 27 N 1.88 4.94 0.00 6.12 1.43 -0.15 -4.91 118.68 127.99 2dzj s LEU 27 Ca 0.02 -1.43 0.23 0.00 -1.03 0.00 0.00 54.13 51.93 2dzj s LEU 27 Cb -0.17 -1.95 0.29 0.00 0.03 0.00 0.00 46.19 44.39 2dzj s LEU 27 CO -0.14 -0.48 1.31 -0.67 0.23 0.00 0.00 176.35 176.60 2dzj n ASP 28 N 4.87 3.19 -2.08 2.29 2.03 -1.25 -0.26 116.55 125.33 2dzj n ASP 28 Ca -0.10 -1.98 -0.25 0.00 0.52 0.00 0.00 54.79 52.97 2dzj n ASP 28 Cb 0.43 -0.11 0.02 0.00 -0.72 0.00 0.00 41.12 40.74 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 1.39 3.53 -3.67 -0.67 4.01 -1.23 -3.75 118.16 117.78 2dzj n LYS 29 Ca 0.16 -4.13 -0.33 0.00 -0.51 0.00 0.00 58.31 53.50 2dzj n LYS 29 Cb 0.59 -2.28 -0.05 0.00 -0.51 0.00 0.00 35.03 32.79 2dzj n LYS 29 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2dzj s VAL 30 N -4.69 5.18 0.28 -0.18 1.01 -1.18 -4.86 120.40 115.95 2dzj s VAL 30 Ca 0.52 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 2dzj s VAL 30 Cb 0.42 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 2dzj s VAL 30 CO 0.01 0.20 0.74 -1.61 0.00 0.00 0.00 175.10 174.45 2dzj s GLU 31 N -2.19 4.13 0.31 2.72 8.01 -1.26 -1.42 118.70 129.00 2dzj s GLU 31 Ca 0.35 0.78 0.10 0.00 0.01 0.00 0.00 54.97 56.21 2dzj s GLU 31 Cb -0.13 -2.64 0.50 0.00 -4.31 0.00 0.00 34.13 27.55 2dzj s GLU 31 CO 0.20 0.27 1.70 -1.00 0.01 0.00 0.00 175.26 176.44 2dzj h PRO 32 N 2.80 0.07 -0.00 0.39 0.13 -1.98 -2.66 132.00 130.76 2dzj h PRO 32 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.65 0.54 -0.13 -2.39 -0.23 0.00 0.00 178.00 176.44 2dzj n HIS 33 N -3.96 0.00 -1.87 1.56 1.44 -1.26 -1.94 115.22 109.18 2dzj n HIS 33 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 2dzj n HIS 33 Cb 0.51 -0.35 -0.03 0.00 0.12 0.00 0.00 29.99 30.24 2dzj n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dzj s ALA 34 N -2.84 3.76 0.32 1.59 0.00 -1.00 -4.82 121.76 118.77 2dzj s ALA 34 Ca 0.18 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.40 2dzj s ALA 34 Cb 0.19 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2dzj s ALA 34 CO 0.55 -1.00 0.65 0.95 0.00 0.00 0.00 175.76 176.91 2dzj s THR 35 N 2.00 4.88 0.39 0.00 -4.23 -1.26 -2.78 115.64 114.64 2dzj s THR 35 Ca 0.74 0.43 0.22 0.00 -1.18 0.00 0.00 61.69 61.90 2dzj s THR 35 Cb -0.43 -3.70 0.40 0.00 1.34 0.00 0.00 72.50 70.11 2dzj s THR 35 CO 0.33 -0.34 1.63 0.40 -0.54 0.00 0.00 174.62 176.10 2dzj h ILE 36 N 1.44 0.18 -0.66 2.99 1.08 -1.55 0.59 117.51 121.58 2dzj h ILE 36 Ca -0.47 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.03 2dzj h ILE 36 Cb 1.18 -0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 2dzj h ILE 36 CO 0.66 0.03 0.30 0.00 -0.69 0.00 0.00 178.15 178.44 2dzj h ALA 37 N 1.78 0.88 -0.34 1.87 0.00 -1.85 -1.98 119.26 119.62 2dzj h ALA 37 Ca 0.79 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.63 2dzj h ALA 37 Cb 2.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2dzj h ALA 37 CO -0.56 -0.11 -0.28 0.93 0.00 0.00 0.00 179.25 179.23 2dzj h GLU 38 N 0.52 0.78 -0.84 0.00 4.39 -0.20 -3.13 114.58 116.10 2dzj h GLU 38 Ca 0.33 -0.39 0.17 0.00 0.34 0.00 0.00 59.36 59.80 2dzj h GLU 38 Cb 0.36 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 2dzj h GLU 38 CO -0.28 1.02 0.37 0.82 -1.16 0.00 0.00 179.01 179.79 2dzj h ILE 39 N 0.56 0.60 -0.44 3.13 1.08 -0.81 -0.32 117.51 121.32 2dzj h ILE 39 Ca 0.06 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2dzj h ILE 39 Cb 0.85 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 2dzj h ILE 39 CO 0.07 0.09 0.22 0.11 -0.69 0.00 0.00 178.15 177.95 2dzj h LYS 40 N 0.48 0.43 0.04 2.37 6.56 -1.37 -2.82 116.57 122.24 2dzj h LYS 40 Ca 0.49 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 60.08 2dzj h LYS 40 Cb 0.80 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.32 2dzj h LYS 40 CO -0.44 0.28 -0.30 -0.91 -2.06 0.00 0.00 179.45 176.02 2dzj h ASN 41 N 0.44 -0.87 -0.86 0.86 2.35 -1.10 -1.34 115.58 115.06 2dzj h ASN 41 Ca 0.19 0.11 0.18 0.00 -0.55 0.00 0.00 56.30 56.24 2dzj h ASN 41 Cb 0.10 0.34 -0.16 0.00 0.05 0.00 0.00 38.32 38.66 2dzj h ASN 41 CO -0.14 -0.37 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.05 2dzj h LEU 42 N -0.47 -0.69 -0.73 1.61 3.38 -1.22 0.54 115.31 117.74 2dzj h LEU 42 Ca 0.05 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2dzj h LEU 42 Cb 0.53 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2dzj h LEU 42 CO -0.22 -0.28 0.28 0.15 0.09 0.00 0.00 178.44 178.47 2dzj h PHE 43 N 0.02 1.12 -0.60 1.13 3.04 -1.27 -2.68 116.94 117.69 2dzj h PHE 43 Ca 0.43 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.26 2dzj h PHE 43 Cb 0.71 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2dzj h PHE 43 CO -0.61 0.86 0.23 1.15 -2.02 0.00 0.00 178.31 177.92 2dzj h THR 44 N 1.05 1.22 -0.42 4.41 2.02 0.10 -3.02 112.91 118.28 2dzj h THR 44 Ca 0.24 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.76 2dzj h THR 44 Cb 0.22 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2dzj h THR 44 CO -0.02 0.28 -0.25 0.29 0.37 0.00 0.00 175.52 176.19 2dzj n LYS 45 N -4.31 -0.18 0.34 6.66 5.02 0.49 -1.87 118.16 124.31 2dzj n LYS 45 Ca 0.05 1.17 -0.17 0.00 -2.02 0.00 0.00 58.31 57.33 2dzj n LYS 45 Cb 0.18 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.37 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 0.37 -3.42 -0.18 2.02 -1.68 -3.37 112.91 106.65 2dzj h THR 46 Ca 0.07 -0.07 -0.75 0.00 0.77 0.00 0.00 66.41 66.42 2dzj h THR 46 Cb 0.17 0.40 -0.27 0.00 -1.74 0.00 0.00 68.15 66.71 2dzj h THR 46 CO -0.39 0.01 -0.18 -1.00 0.37 0.00 0.00 175.52 174.33 2dzj s HIS 47 N -5.85 3.48 0.17 3.16 3.76 -0.79 -4.92 115.29 114.30 2dzj s HIS 47 Ca -0.17 -1.81 -0.07 0.00 -0.15 0.00 0.00 55.06 52.85 2dzj s HIS 47 Cb 0.03 -3.67 0.05 0.00 1.11 0.00 0.00 32.58 30.11 2dzj s HIS 47 CO 0.60 -0.99 1.52 -1.00 -0.85 0.00 0.00 174.74 174.02 2dzj h PRO 48 N 8.23 0.79 -0.45 8.40 0.13 -1.54 -3.05 132.00 144.51 2dzj h PRO 48 Ca -0.12 -0.42 0.09 0.00 -0.87 0.00 0.00 66.00 64.68 2dzj h PRO 48 Cb 1.06 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2dzj h PRO 48 CO 0.87 1.05 0.31 0.37 -0.23 0.00 0.00 178.00 180.37 2dzj h GLN 49 N 0.65 0.23 -5.74 0.86 4.15 -1.91 -3.34 115.11 110.01 2dzj h GLN 49 Ca 0.05 -0.01 -0.62 0.00 0.77 0.00 0.00 58.65 58.84 2dzj h GLN 49 Cb 0.96 -0.05 -0.13 0.00 0.21 0.00 0.00 27.48 28.47 2dzj h GLN 49 CO 0.09 0.16 1.10 -1.58 -1.93 0.00 0.00 178.83 176.67 2dzj s TRP 50 N -5.24 2.68 0.71 3.99 0.52 -1.15 -5.01 118.94 115.44 2dzj s TRP 50 Ca -0.07 -0.84 -0.11 0.00 0.02 0.00 0.00 56.10 55.11 2dzj s TRP 50 Cb 0.19 -4.51 0.02 0.00 -1.15 0.00 0.00 33.47 28.02 2dzj s TRP 50 CO 0.73 -1.79 1.07 1.52 0.02 0.00 0.00 176.95 178.50 2dzj s TYR 51 N 4.30 2.97 0.15 -1.98 -0.85 -1.26 -4.60 117.35 116.08 2dzj s TYR 51 Ca 0.37 1.46 -0.10 0.00 -0.52 0.00 0.00 57.07 58.28 2dzj s TYR 51 Cb -0.05 -2.93 -0.03 0.00 0.38 0.00 0.00 41.96 39.34 2dzj s TYR 51 CO -0.03 -1.37 1.48 -1.00 -1.52 0.00 0.00 175.55 173.11 2dzj h PRO 52 N -0.78 0.92 -0.49 -3.49 0.13 -1.91 -2.66 132.00 123.73 2dzj h PRO 52 Ca -0.44 -0.49 0.14 0.00 -0.87 0.00 0.00 66.00 64.35 2dzj h PRO 52 Cb 1.22 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dzj h PRO 52 CO 0.55 1.14 0.81 0.00 -0.23 0.00 0.00 178.00 180.27 2dzj h ALA 53 N 0.80 2.27 0.00 -0.56 0.00 -2.01 0.18 119.26 119.93 2dzj h ALA 53 Ca 0.06 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 2dzj h ALA 53 Cb 0.99 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2dzj h ALA 53 CO 0.10 -1.06 -2.22 -2.13 0.00 0.00 0.00 179.25 173.94 2dzj n ARG 54 N -3.17 0.72 -1.78 0.00 0.63 -1.15 -4.79 116.66 107.12 2dzj n ARG 54 Ca 0.10 0.09 -0.21 0.00 -0.92 0.00 0.00 57.85 56.91 2dzj n ARG 54 Cb 0.98 -1.43 -0.09 0.00 0.45 0.00 0.00 32.46 32.36 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 -3.01 0.79 -2.70 -0.14 6.02 0.63 -4.43 117.38 114.56 2dzj n GLN 55 Ca -0.36 -2.05 -0.43 0.00 -0.01 0.00 0.00 57.00 54.16 2dzj n GLN 55 Cb 0.95 -3.82 -0.02 0.00 1.02 0.00 0.00 30.24 28.36 2dzj n GLN 55 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dzj s SER 56 N 7.55 6.93 -0.03 1.08 0.01 -1.25 -4.91 113.70 123.08 2dzj s SER 56 Ca 0.75 1.07 -0.02 0.00 1.31 0.00 0.00 55.95 59.06 2dzj s SER 56 Cb -0.02 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2dzj s SER 56 CO 0.17 -0.78 0.12 -0.76 0.41 0.00 0.00 173.24 172.40 2dzj s LEU 57 N 3.42 4.13 -0.13 2.44 1.43 -1.25 -1.57 118.68 127.15 2dzj s LEU 57 Ca 0.43 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.67 2dzj s LEU 57 Cb -0.13 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2dzj s LEU 57 CO 0.12 0.29 0.36 -0.13 0.23 0.00 0.00 176.35 177.22 2dzj s ARG 58 N -1.67 0.42 0.05 1.70 0.52 -0.65 -0.08 118.95 119.24 2dzj s ARG 58 Ca 0.23 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.95 2dzj s ARG 58 Cb -0.12 0.21 0.16 0.00 0.52 0.00 0.00 34.95 35.72 2dzj s ARG 58 CO 0.14 -0.05 1.07 1.28 0.02 0.00 0.00 175.30 177.76 2dzj n LEU 59 N 2.84 0.08 -3.57 2.53 4.77 -1.26 -0.83 117.00 121.55 2dzj n LEU 59 Ca -0.13 0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2dzj n LEU 59 Cb 0.57 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2dzj n LEU 59 CO 0.15 -0.54 0.79 -1.81 -1.33 0.00 0.00 177.39 174.64 2dzj s ASP 60 N -3.11 -0.35 0.00 -1.43 1.01 -1.26 -4.86 116.67 106.67 2dzj s ASP 60 Ca -0.00 0.34 0.15 0.00 0.71 0.00 0.00 52.55 53.74 2dzj s ASP 60 Cb 0.01 0.29 0.79 0.00 1.01 0.00 0.00 42.92 45.02 2dzj s ASP 60 CO 0.03 -0.35 1.39 -0.81 0.21 0.00 0.00 175.17 175.64 2dzj n PRO 61 N 0.60 0.28 -0.56 8.23 -0.04 -1.26 -2.25 135.00 140.00 2dzj n PRO 61 Ca -0.09 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2dzj n PRO 61 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.22 0.85 0.00 0.54 4.76 -1.26 -5.04 118.16 116.79 2dzj n LYS 62 Ca 0.08 -2.33 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 2dzj n LYS 62 Cb 0.10 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2dzj n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dzj n GLY 63 N -0.69 3.53 3.38 0.72 0.00 -0.95 -5.16 105.19 106.01 2dzj n GLY 63 Ca 0.12 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 2dzj n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dzj s LYS 64 N 4.69 1.39 -0.02 1.61 3.01 -1.26 -5.01 119.74 124.14 2dzj s LYS 64 Ca 0.00 -1.46 -0.30 0.00 -1.01 0.00 0.00 55.97 53.20 2dzj s LYS 64 Cb 0.00 -1.57 -0.07 0.00 -1.01 0.00 0.00 37.83 35.18 2dzj s LYS 64 CO 0.00 0.33 1.82 -1.54 0.51 0.00 0.00 175.35 176.47 2dzj s SER 65 N -2.67 6.52 0.92 2.83 1.04 -1.26 -4.29 113.70 116.79 2dzj s SER 65 Ca 0.18 2.40 -0.10 0.00 0.48 0.00 0.00 55.95 58.91 2dzj s SER 65 Cb -0.07 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.66 2dzj s SER 65 CO 0.08 -1.03 1.07 0.18 0.98 0.00 0.00 173.24 174.52 2dzj n LEU 66 N 7.52 2.97 -4.27 2.42 4.77 0.89 -4.98 117.00 126.30 2dzj n LEU 66 Ca 0.19 0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 56.41 2dzj n LEU 66 Cb 0.42 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 2dzj n LEU 66 CO 0.65 -2.31 -0.44 -0.54 -1.33 0.00 0.00 177.39 173.42 2dzj s LYS 67 N -4.52 1.12 0.22 3.23 1.02 -1.26 -4.82 119.74 114.73 2dzj s LYS 67 Ca 0.66 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 55.14 2dzj s LYS 67 Cb -0.23 -0.89 0.32 0.00 -0.52 0.00 0.00 37.83 36.51 2dzj s LYS 67 CO 0.59 0.15 1.65 0.38 -0.92 0.00 0.00 175.35 177.20 2dzj h ASP 68 N 3.02 -0.31 -1.35 2.83 2.03 -1.95 0.98 116.42 121.66 2dzj h ASP 68 Ca -0.38 0.16 0.48 0.00 -0.73 0.00 0.00 57.03 56.56 2dzj h ASP 68 Cb 1.20 0.30 -0.14 0.00 -0.83 0.00 0.00 39.33 39.85 2dzj h ASP 68 CO 0.58 -0.13 0.86 -1.84 -1.03 0.00 0.00 179.24 177.67 2dzj n GLU 69 N -5.31 -0.04 -1.93 4.15 0.28 -1.26 -3.56 120.64 112.98 2dzj n GLU 69 Ca 0.10 1.28 -0.37 0.00 -0.16 0.00 0.00 57.16 58.01 2dzj n GLU 69 Cb 0.38 -2.49 0.04 0.00 1.43 0.00 0.00 31.44 30.79 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 -4.29 5.21 0.07 -1.84 1.01 0.34 -4.94 116.67 112.22 2dzj s ASP 70 Ca -0.08 2.53 0.03 0.00 0.71 0.00 0.00 52.55 55.75 2dzj s ASP 70 Cb 0.32 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2dzj s ASP 70 CO 0.82 -1.59 -0.10 -0.69 0.21 0.00 0.00 175.17 173.82 2dzj s VAL 71 N -1.47 0.80 -1.07 -1.27 1.01 -1.26 -2.57 120.40 114.57 2dzj s VAL 71 Ca 0.75 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2dzj s VAL 71 Cb -0.34 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.10 2dzj s VAL 71 CO 0.39 -0.42 1.15 0.18 0.00 0.00 0.00 175.10 176.40 2dzj n LEU 72 N 1.08 0.00 -0.01 3.92 4.77 -1.12 -0.03 117.00 125.61 2dzj n LEU 72 Ca -0.20 0.46 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 2dzj n LEU 72 Cb 0.56 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2dzj n LEU 72 CO 0.23 -0.38 -0.64 0.00 -1.33 0.00 0.00 177.39 175.27 2dzj n GLN 73 N -1.46 0.98 -0.01 3.23 10.64 -0.82 -4.60 117.38 125.34 2dzj n GLN 73 Ca 0.02 -0.05 -0.07 0.00 -1.83 0.00 0.00 57.00 55.06 2dzj n GLN 73 Cb 0.06 -1.20 -0.13 0.00 -0.86 0.00 0.00 30.24 28.11 2dzj n GLN 73 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2dzj h LYS 74 N 0.00 0.00 -7.14 2.61 1.79 -1.60 -3.48 116.57 108.76 2dzj h LYS 74 Ca -0.06 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.87 2dzj h LYS 74 Cb 0.70 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 31.53 2dzj h LYS 74 CO 0.00 0.48 0.29 1.47 -1.08 0.00 0.00 179.45 180.61 2dzj n LEU 75 N -3.03 4.34 -0.74 2.94 -0.00 0.95 -4.81 117.00 116.65 2dzj n LEU 75 Ca -0.15 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 2dzj n LEU 75 Cb 1.02 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2dzj n LEU 75 CO 0.45 -1.72 0.18 -0.81 -0.00 0.00 0.00 177.39 175.49 2dzj n PRO 76 N -2.84 0.49 -4.51 1.47 -0.04 -1.26 -4.73 135.00 123.57 2dzj n PRO 76 Ca 0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 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 -0.27 2.08 0.00 0.52 1.01 -1.26 -5.16 120.40 117.31 2dzj s VAL 77 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.04 2dzj s VAL 77 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2dzj s VAL 77 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2dzj n GLY 78 N -1.02 3.50 0.27 4.51 0.00 -1.26 -4.89 105.19 106.30 2dzj n GLY 78 Ca -0.04 -2.12 0.20 0.00 0.00 0.00 0.00 46.02 44.06 2dzj n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dzj n THR 79 N -0.37 -0.34 -3.09 2.61 -2.24 -1.26 -3.15 114.28 106.44 2dzj n THR 79 Ca 0.00 1.72 -0.45 0.00 -2.27 0.00 0.00 64.05 63.05 2dzj n THR 79 Cb 0.00 -2.66 -0.04 0.00 -2.10 0.00 0.00 70.33 65.53 2dzj n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dzj s THR 80 N -5.46 4.84 0.14 4.28 2.01 -1.26 -1.78 115.64 118.41 2dzj s THR 80 Ca -0.09 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 2dzj s THR 80 Cb 0.26 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2dzj s THR 80 CO 0.64 -1.18 0.32 0.00 -0.69 0.00 0.00 174.62 173.70 2dzj s ALA 81 N 2.57 3.89 -0.07 7.40 0.00 0.52 -4.98 121.76 131.09 2dzj s ALA 81 Ca 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2dzj s ALA 81 Cb -0.21 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 20.99 2dzj s ALA 81 CO 0.04 0.61 -0.08 0.99 0.00 0.00 0.00 175.76 177.32 2dzj s THR 82 N -1.70 0.89 0.12 0.00 2.01 -1.26 -2.70 115.64 112.99 2dzj s THR 82 Ca 0.37 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.17 2dzj s THR 82 Cb -0.12 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2dzj s THR 82 CO 0.28 0.32 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 2dzj s LEU 83 N 1.12 2.83 -0.09 4.42 1.43 -1.19 -4.58 118.68 122.63 2dzj s LEU 83 Ca -0.07 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2dzj s LEU 83 Cb -0.14 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2dzj s LEU 83 CO -0.01 0.17 -0.19 -0.31 0.23 0.00 0.00 176.35 176.24 2dzj s TYR 84 N -1.20 2.62 -0.13 0.29 2.02 -0.01 -0.32 117.35 120.61 2dzj s TYR 84 Ca 0.20 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 2dzj s TYR 84 Cb -0.11 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2dzj s TYR 84 CO 0.12 -0.20 0.37 0.12 -1.57 0.00 0.00 175.55 174.39 2dzj s PHE 85 N 0.02 3.50 -0.09 2.71 2.19 0.15 -1.64 117.98 124.82 2dzj s PHE 85 Ca -0.07 0.74 0.03 0.00 0.33 0.00 0.00 56.93 57.95 2dzj s PHE 85 Cb -0.15 -2.41 0.01 0.00 -1.31 0.00 0.00 43.02 39.16 2dzj s PHE 85 CO 0.05 0.26 -0.17 0.50 1.83 0.00 0.00 175.22 177.68 2dzj s ARG 86 N 0.36 2.32 0.06 10.12 6.06 -0.61 -0.96 118.95 136.31 2dzj s ARG 86 Ca 0.20 -0.62 -0.31 0.00 -2.50 0.00 0.00 55.73 52.51 2dzj s ARG 86 Cb -0.14 -1.87 -0.07 0.00 0.06 0.00 0.00 34.95 32.94 2dzj s ARG 86 CO 0.07 0.04 1.35 0.16 -2.50 0.00 0.00 175.30 174.43 2dzj s ASP 87 N 0.67 6.89 0.00 -2.12 -4.77 -1.26 -3.86 116.67 112.22 2dzj s ASP 87 Ca -0.13 2.18 0.30 0.00 -3.30 0.00 0.00 52.55 51.60 2dzj s ASP 87 Cb -0.16 -2.57 1.52 0.00 -1.09 0.00 0.00 42.92 40.61 2dzj s ASP 87 CO 0.03 -0.64 2.01 0.18 0.70 0.00 0.00 175.17 177.45