#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzl n SER 2 N 0.00 -1.34 -4.33 1.61 7.64 -1.26 -5.05 113.62 110.90 2dzl n SER 2 Ca 0.00 -0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 2dzl n SER 2 Cb 0.00 -1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 61.80 2dzl n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dzl s SER 3 N -2.44 2.47 -0.40 6.43 0.15 -1.26 -5.09 113.70 113.55 2dzl s SER 3 Ca 0.68 -1.01 0.09 0.00 0.70 0.00 0.00 55.95 56.41 2dzl s SER 3 Cb -0.25 -0.12 0.29 0.00 -1.71 0.00 0.00 66.02 64.23 2dzl s SER 3 CO 0.64 -0.19 0.62 0.61 1.20 0.00 0.00 173.24 176.12 2dzl n GLY 4 N -0.33 3.34 3.69 9.45 0.00 -1.26 -5.10 105.19 114.99 2dzl n GLY 4 Ca -0.08 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2dzl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dzl s SER 5 N -1.78 6.87 0.15 1.61 0.15 -1.26 -4.55 113.70 114.88 2dzl s SER 5 Ca 0.38 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2dzl s SER 5 Cb 0.24 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2dzl s SER 5 CO -0.09 -0.70 0.00 -0.24 1.20 0.00 0.00 173.24 173.40 2dzl n SER 6 N 5.26 -1.35 0.00 5.45 2.88 -1.26 -5.07 113.62 119.54 2dzl n SER 6 Ca 0.13 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2dzl n SER 6 Cb 0.44 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.44 2dzl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dzl n GLY 7 N -1.18 -1.98 3.51 0.46 0.00 -1.26 -5.18 105.19 99.56 2dzl n GLY 7 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 46.02 46.86 2dzl n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dzl s MET 8 N 0.00 1.40 0.43 1.61 -2.45 -1.26 -5.14 119.30 113.89 2dzl s MET 8 Ca 0.00 -1.08 0.00 0.00 -1.25 0.00 0.00 55.69 53.36 2dzl s MET 8 Cb 0.00 0.47 0.00 0.00 1.25 0.00 0.00 34.83 36.55 2dzl s MET 8 CO 0.00 -0.57 0.00 0.45 1.05 0.00 0.00 175.02 175.95 2dzl n SER 9 N -0.33 -6.80 -4.18 1.11 2.88 -1.26 -4.82 113.62 100.22 2dzl n SER 9 Ca -0.06 0.95 -0.35 0.00 -1.33 0.00 0.00 58.87 58.08 2dzl n SER 9 Cb 0.62 -3.85 0.07 0.00 -0.75 0.00 0.00 64.21 60.30 2dzl n SER 9 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2dzl n VAL 10 N -3.94 0.03 -0.58 2.46 3.14 -1.26 -4.89 118.33 113.28 2dzl n VAL 10 Ca -0.05 -0.38 -0.29 0.00 -2.96 0.00 0.00 64.34 60.67 2dzl n VAL 10 Cb 0.55 -0.26 0.24 0.00 -1.06 0.00 0.00 33.84 33.31 2dzl n VAL 10 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2dzl s ASN 11 N -1.41 1.19 -0.90 6.55 0.01 -1.26 -4.81 114.94 114.31 2dzl s ASN 11 Ca 0.47 1.58 -0.08 0.00 -0.71 0.00 0.00 52.86 54.12 2dzl s ASN 11 Cb -0.20 -2.32 -0.16 0.00 0.41 0.00 0.00 41.25 38.99 2dzl s ASN 11 CO 0.76 -4.08 3.11 1.15 -1.51 0.00 0.00 177.10 176.53 2dzl n MET 12 N -4.84 2.83 -0.03 -0.60 0.00 -1.26 -4.41 117.12 108.81 2dzl n MET 12 Ca 0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 57.70 56.06 2dzl n MET 12 Cb 0.54 -2.43 -0.05 0.00 0.00 0.00 0.00 33.22 31.28 2dzl n MET 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2dzl h ASP 13 N 4.33 -0.05 0.50 3.17 5.19 -2.00 -3.09 116.42 124.47 2dzl h ASP 13 Ca 0.56 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 2dzl h ASP 13 Cb 0.76 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 2dzl h ASP 13 CO 1.12 0.61 -0.42 -0.33 -3.12 0.00 0.00 179.24 177.10 2dzl h GLU 14 N -0.99 -0.88 -0.76 3.56 3.07 -1.98 -2.50 114.58 114.10 2dzl h GLU 14 Ca -0.01 0.06 0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2dzl h GLU 14 Cb 0.40 0.20 -0.09 0.00 -0.84 0.00 0.00 28.75 28.42 2dzl h GLU 14 CO 0.01 -0.59 -0.47 -0.07 -1.40 0.00 0.00 179.01 176.49 2dzl h LEU 15 N -0.92 -1.70 -0.98 1.33 4.07 -1.89 0.20 115.31 115.41 2dzl h LEU 15 Ca -0.05 0.26 0.12 0.00 0.08 0.00 0.00 57.88 58.28 2dzl h LEU 15 Cb 0.79 0.75 -0.14 0.00 1.08 0.00 0.00 40.66 43.14 2dzl h LEU 15 CO -0.02 -0.19 -0.51 -0.09 -1.08 0.00 0.00 178.44 176.55 2dzl h ARG 16 N -0.02 -0.01 -0.05 1.13 1.12 -1.43 0.44 114.38 115.56 2dzl h ARG 16 Ca 0.12 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 59.00 2dzl h ARG 16 Cb 0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 2dzl h ARG 16 CO -0.73 -0.01 -0.14 1.25 -3.11 0.00 0.00 179.97 177.24 2dzl h HIS 17 N -0.01 -0.41 -0.83 2.20 2.76 -0.22 0.87 115.15 119.50 2dzl h HIS 17 Ca 0.23 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.57 2dzl h HIS 17 Cb 0.49 0.19 -0.15 0.00 1.55 0.00 0.00 27.41 29.49 2dzl h HIS 17 CO -0.96 -0.13 -0.28 0.37 -1.30 0.00 0.00 177.93 175.63 2dzl h GLN 18 N -0.14 -0.04 -0.28 5.26 4.15 0.22 0.53 115.11 124.83 2dzl h GLN 18 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2dzl h GLN 18 Cb 0.17 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 2dzl h GLN 18 CO -0.12 -0.02 -0.03 0.28 -1.93 0.00 0.00 178.83 177.00 2dzl h VAL 19 N -0.04 0.76 0.12 2.39 2.07 0.79 -1.65 116.25 120.69 2dzl h VAL 19 Ca 0.36 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.86 2dzl h VAL 19 Cb 0.60 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2dzl h VAL 19 CO -0.86 0.01 -0.24 0.24 0.02 0.00 0.00 177.57 176.74 2dzl h MET 20 N 0.04 -0.37 -0.32 1.57 2.86 0.56 0.46 114.93 119.74 2dzl h MET 20 Ca 0.13 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2dzl h MET 20 Cb 0.19 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 2dzl h MET 20 CO -0.25 -0.25 -0.19 0.82 1.06 0.00 0.00 176.91 178.10 2dzl h ILE 21 N -0.38 0.00 -0.96 -1.22 2.04 -0.68 0.33 117.51 116.64 2dzl h ILE 21 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 2dzl h ILE 21 Cb 0.36 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.30 2dzl h ILE 21 CO -0.09 0.00 -0.47 -1.13 0.00 0.00 0.00 178.15 176.46 2dzl h ASN 22 N -0.01 -1.72 -0.01 1.72 -0.73 -1.19 0.31 115.58 113.97 2dzl h ASN 22 Ca 0.05 0.31 0.00 0.00 1.87 0.00 0.00 56.30 58.54 2dzl h ASN 22 Cb 0.14 0.83 -0.00 0.00 0.27 0.00 0.00 38.32 39.55 2dzl h ASN 22 CO -0.30 -0.27 -0.03 1.56 -0.37 0.00 0.00 177.43 178.01 2dzl h GLN 23 N -0.02 -0.03 -1.53 6.67 4.20 0.17 1.17 115.11 125.73 2dzl h GLN 23 Ca 0.26 0.00 0.45 0.00 0.06 0.00 0.00 58.65 59.42 2dzl h GLN 23 Cb 0.52 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2dzl h GLN 23 CO -0.94 -0.02 1.13 0.35 -0.67 0.00 0.00 178.83 178.68 2dzl h PHE 24 N -0.04 0.00 0.17 2.96 3.04 0.67 1.86 116.94 125.61 2dzl h PHE 24 Ca 0.00 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.67 2dzl h PHE 24 Cb 0.04 0.00 0.03 0.00 2.56 0.00 0.00 35.95 38.58 2dzl h PHE 24 CO -0.44 0.00 -1.19 0.28 -2.02 0.00 0.00 178.31 174.95 2dzl h VAL 25 N 0.00 1.35 -0.12 1.41 2.07 0.22 -1.36 116.25 119.82 2dzl h VAL 25 Ca 0.73 -2.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.55 2dzl h VAL 25 Cb 2.99 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 35.70 2dzl h VAL 25 CO -0.01 0.75 -0.59 -0.07 0.02 0.00 0.00 177.57 177.67 2dzl h LEU 26 N 0.04 0.46 0.07 2.57 3.38 1.10 1.14 115.31 124.07 2dzl h LEU 26 Ca -0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2dzl h LEU 26 Cb 1.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2dzl h LEU 26 CO 0.23 0.95 -0.04 0.00 0.09 0.00 0.00 178.44 179.67 2dzl h ALA 27 N 1.06 -0.10 -0.54 1.53 0.00 0.21 -3.38 119.26 118.03 2dzl h ALA 27 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2dzl h ALA 27 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dzl h ALA 27 CO 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2dzl n ALA 28 N -2.36 -0.01 0.00 0.00 0.00 -0.51 -5.03 120.51 112.59 2dzl n ALA 28 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2dzl n ALA 28 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2dzl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dzl n GLY 29 N 1.99 1.55 3.87 0.00 0.00 0.39 -5.04 105.19 107.94 2dzl n GLY 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2dzl n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzl n ALA 31 N -1.65 -1.74 -0.04 0.00 0.00 -1.26 -4.85 120.51 110.97 2dzl n ALA 31 Ca -0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 2dzl n ALA 31 Cb 0.64 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 2dzl n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dzl h ALA 32 N -0.29 0.01 -0.83 0.00 0.00 -1.97 -3.12 119.26 113.06 2dzl h ALA 32 Ca -0.45 -0.43 0.24 0.00 0.00 0.00 0.00 54.91 54.27 2dzl h ALA 32 Cb 1.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2dzl h ALA 32 CO 0.42 -0.03 0.66 -0.44 0.00 0.00 0.00 179.25 179.86 2dzl h ASP 33 N -0.70 0.00 0.25 0.00 5.19 -2.01 0.13 116.42 119.28 2dzl h ASP 33 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2dzl h ASP 33 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2dzl h ASP 33 CO 0.02 0.00 -0.12 -0.61 -3.12 0.00 0.00 179.24 175.41 2dzl h GLN 34 N 0.00 -0.33 -0.96 3.56 4.15 -1.91 -2.96 115.11 116.67 2dzl h GLN 34 Ca 0.39 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.92 2dzl h GLN 34 Cb 1.72 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 29.37 2dzl h GLN 34 CO -0.00 -0.03 -0.57 0.00 -1.93 0.00 0.00 178.83 176.30 2dzl n ALA 35 N -2.40 -0.61 -0.11 3.38 0.00 0.44 0.34 120.51 121.55 2dzl n ALA 35 Ca -0.09 0.81 -0.06 0.00 0.00 0.00 0.00 53.44 54.10 2dzl n ALA 35 Cb 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 2dzl n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dzl h LYS 36 N 0.00 -0.11 -0.07 0.00 3.64 -1.54 1.07 116.57 119.56 2dzl h LYS 36 Ca 0.15 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2dzl h LYS 36 Cb 0.39 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2dzl h LYS 36 CO -0.90 -0.07 -0.13 1.96 -2.27 0.00 0.00 179.45 178.04 2dzl h GLN 37 N -0.11 -0.11 -0.17 1.90 4.20 -0.82 0.67 115.11 120.68 2dzl h GLN 37 Ca 0.05 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2dzl h GLN 37 Cb 0.24 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2dzl h GLN 37 CO -0.33 -0.07 -0.14 -0.07 -0.67 0.00 0.00 178.83 177.55 2dzl h LEU 38 N -0.11 -0.48 -0.26 1.46 4.07 0.37 1.53 115.31 121.90 2dzl h LEU 38 Ca 0.01 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.07 2dzl h LEU 38 Cb 0.15 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 2dzl h LEU 38 CO -0.12 -0.07 -0.17 -0.07 -1.08 0.00 0.00 178.44 176.92 2dzl h LEU 39 N -0.04 -0.61 -0.43 1.67 3.38 0.15 0.91 115.31 120.32 2dzl h LEU 39 Ca 0.03 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2dzl h LEU 39 Cb 0.12 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 2dzl h LEU 39 CO -0.18 -0.08 -0.53 -0.61 0.09 0.00 0.00 178.44 177.13 2dzl h GLN 40 N -0.02 -0.35 -0.12 1.13 4.15 0.12 2.04 115.11 122.05 2dzl h GLN 40 Ca 0.04 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.52 2dzl h GLN 40 Cb 0.13 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2dzl h GLN 40 CO -0.25 -0.24 0.41 0.00 -1.93 0.00 0.00 178.83 176.82 2dzl h ALA 41 N 0.11 1.60 -0.70 3.38 0.00 0.36 1.46 119.26 125.47 2dzl h ALA 41 Ca 0.10 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.62 2dzl h ALA 41 Cb 0.59 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.17 2dzl h ALA 41 CO -0.61 -0.47 0.28 0.00 0.00 0.00 0.00 179.25 178.45 2dzl n ALA 42 N -1.99 5.08 -1.59 0.00 0.00 0.51 -4.88 120.51 117.64 2dzl n ALA 42 Ca 0.01 -3.10 -0.11 0.00 0.00 0.00 0.00 53.44 50.24 2dzl n ALA 42 Cb 0.49 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 2dzl n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dzl n HIS 43 N -1.11 -0.68 -2.55 0.00 -0.00 0.50 0.22 115.22 111.60 2dzl n HIS 43 Ca 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 58.08 2dzl n HIS 43 Cb 1.29 -2.43 0.01 0.00 -0.00 0.00 0.00 29.99 28.86 2dzl n HIS 43 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 2dzl n TRP 44 N -2.12 -0.89 -2.90 4.41 7.02 0.57 -4.90 117.44 118.62 2dzl n TRP 44 Ca -0.12 0.21 -0.44 0.00 -1.02 0.00 0.00 57.50 56.13 2dzl n TRP 44 Cb 0.43 -2.73 0.00 0.00 -2.42 0.00 0.00 31.31 26.59 2dzl n TRP 44 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2dzl n GLN 45 N -2.33 3.74 -0.20 -0.99 6.02 0.60 -4.89 117.38 119.34 2dzl n GLN 45 Ca -0.07 -4.08 -0.05 0.00 -0.01 0.00 0.00 57.00 52.79 2dzl n GLN 45 Cb 0.57 -2.77 -0.05 0.00 1.02 0.00 0.00 30.24 29.01 2dzl n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dzl n PHE 46 N 3.47 -0.21 -0.03 1.08 -0.00 -1.26 0.19 117.46 120.70 2dzl n PHE 46 Ca 0.32 0.60 -0.01 0.00 -0.00 0.00 0.00 57.45 58.36 2dzl n PHE 46 Cb 0.38 -0.49 -0.01 0.00 -0.00 0.00 0.00 39.48 39.36 2dzl n PHE 46 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2dzl h GLU 47 N 0.00 -0.00 0.31 -4.13 5.08 -1.97 1.45 114.58 115.31 2dzl h GLU 47 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2dzl h GLU 47 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2dzl h GLU 47 CO -0.45 -0.00 -0.39 1.15 -1.00 0.00 0.00 179.01 178.32 2dzl h THR 48 N -0.00 0.21 -0.81 1.13 2.02 -1.43 0.55 112.91 114.58 2dzl h THR 48 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 2dzl h THR 48 Cb 0.03 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 66.53 2dzl h THR 48 CO -0.07 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 175.32 2dzl h ALA 49 N -0.31 -0.37 -0.19 6.16 0.00 0.28 1.54 119.26 126.38 2dzl h ALA 49 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dzl h ALA 49 Cb 0.69 1.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2dzl h ALA 49 CO -0.12 -0.87 0.04 1.25 0.00 0.00 0.00 179.25 179.55 2dzl h LEU 50 N -0.11 0.01 -0.72 0.00 5.85 0.24 0.28 115.31 120.85 2dzl h LEU 50 Ca 0.19 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.06 2dzl h LEU 50 Cb 0.52 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 2dzl h LEU 50 CO -0.84 0.03 0.31 0.28 -0.34 0.00 0.00 178.44 177.89 2dzl h SER 51 N 0.11 0.34 0.15 1.25 0.02 0.40 0.49 113.55 116.31 2dzl h SER 51 Ca 0.08 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2dzl h SER 51 Cb 0.08 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2dzl h SER 51 CO -0.11 0.16 -0.07 0.74 -1.14 0.00 0.00 176.83 176.41 2dzl h THR 52 N 0.49 0.00 -0.88 -2.27 2.02 0.28 -1.84 112.91 110.71 2dzl h THR 52 Ca 0.38 -0.07 0.17 0.00 0.77 0.00 0.00 66.41 67.66 2dzl h THR 52 Cb 0.51 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.76 2dzl h THR 52 CO -0.35 0.00 -0.23 0.33 0.37 0.00 0.00 175.52 175.65 2dzl n PHE 53 N -2.74 0.30 -0.07 3.16 7.35 0.91 0.12 117.46 126.50 2dzl n PHE 53 Ca -0.02 1.07 -0.08 0.00 -0.76 0.00 0.00 57.45 57.66 2dzl n PHE 53 Cb 0.08 -1.00 -0.01 0.00 0.35 0.00 0.00 39.48 38.90 2dzl n PHE 53 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2dzl h PHE 54 N 0.00 0.21 0.00 -5.13 0.04 -0.94 -3.37 116.94 107.75 2dzl h PHE 54 Ca 0.42 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.20 2dzl h PHE 54 Cb 0.64 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.73 2dzl h PHE 54 CO -0.68 0.10 0.00 1.04 -0.60 0.00 0.00 178.31 178.17 2dzl n GLN 55 N -5.00 0.00 -3.99 1.51 6.02 0.33 -4.72 117.38 111.53 2dzl n GLN 55 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 2dzl n GLN 55 Cb 0.09 -0.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.27 2dzl n GLN 55 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2dzl n GLU 56 N 0.00 -1.07 -1.60 -1.09 1.02 -0.85 -4.67 120.64 112.37 2dzl n GLU 56 Ca 0.00 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 2dzl n GLU 56 Cb 0.00 -4.30 -0.08 0.00 -0.02 0.00 0.00 31.44 27.04 2dzl n GLU 56 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2dzl n THR 57 N -3.54 1.30 -2.11 2.62 5.66 -1.26 -4.45 114.28 112.51 2dzl n THR 57 Ca 0.09 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 2dzl n THR 57 Cb 0.42 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.05 2dzl n THR 57 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2dzl n ASN 58 N 13.52 -8.93 -4.91 1.09 3.02 -1.26 -4.98 115.26 112.80 2dzl n ASN 58 Ca 0.45 1.47 -0.28 0.00 -0.03 0.00 0.00 54.58 56.19 2dzl n ASN 58 Cb 0.45 -4.99 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 2dzl n ASN 58 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2dzl s ILE 59 N -0.52 5.05 -0.95 2.41 -4.36 -1.26 -5.00 121.20 116.57 2dzl s ILE 59 Ca 0.00 -0.02 -0.24 0.00 -0.26 0.00 0.00 60.65 60.13 2dzl s ILE 59 Cb 0.00 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 39.97 2dzl s ILE 59 CO 0.00 -0.31 1.69 -2.16 0.24 0.00 0.00 174.94 174.39 2dzl s PRO 60 N -3.55 3.07 0.75 0.37 0.04 -1.26 -4.96 135.00 129.45 2dzl s PRO 60 Ca 0.43 -0.66 -0.08 0.00 0.04 0.00 0.00 61.00 60.73 2dzl s PRO 60 Cb -0.11 -5.16 0.09 0.00 0.04 0.00 0.00 34.50 29.35 2dzl s PRO 60 CO 0.30 -2.77 1.07 1.21 0.04 0.00 0.00 177.00 176.86 2dzl s ASN 61 N 6.45 4.53 0.08 6.66 2.47 -1.26 -5.11 114.94 128.75 2dzl s ASN 61 Ca 0.57 0.42 -0.20 0.00 0.42 0.00 0.00 52.86 54.07 2dzl s ASN 61 Cb -0.04 -0.95 0.05 0.00 -1.45 0.00 0.00 41.25 38.86 2dzl s ASN 61 CO -0.04 -1.80 0.47 -0.44 -3.72 0.00 0.00 177.10 171.57 2dzl s SER 62 N -4.59 -0.36 -1.02 -4.21 0.01 -1.26 -5.09 113.70 97.17 2dzl s SER 62 Ca 0.63 -0.00 -0.18 0.00 1.31 0.00 0.00 55.95 57.70 2dzl s SER 62 Cb -0.09 0.48 0.13 0.00 0.21 0.00 0.00 66.02 66.75 2dzl s SER 62 CO 0.46 -0.76 1.26 -2.28 0.41 0.00 0.00 173.24 172.33 2dzl s HIS 63 N -2.91 3.13 0.14 2.43 2.46 -1.26 -4.95 115.29 114.34 2dzl s HIS 63 Ca -0.03 -1.52 -0.01 0.00 0.47 0.00 0.00 55.06 53.97 2dzl s HIS 63 Cb -0.00 -4.36 -0.04 0.00 -0.13 0.00 0.00 32.58 28.05 2dzl s HIS 63 CO -0.05 -1.53 0.05 -1.58 -2.47 0.00 0.00 174.74 169.15 2dzl s HIS 64 N 2.73 0.92 0.12 3.88 5.04 -1.26 -5.17 115.29 121.54 2dzl s HIS 64 Ca 0.37 -1.20 -0.14 0.00 -1.54 0.00 0.00 55.06 52.56 2dzl s HIS 64 Cb -0.03 -0.52 0.02 0.00 0.04 0.00 0.00 32.58 32.09 2dzl s HIS 64 CO -0.06 -0.47 0.34 -1.58 -2.34 0.00 0.00 174.74 170.63 2dzl s HIS 65 N -3.98 -0.07 -0.00 3.88 2.46 -1.26 -5.29 115.29 111.02 2dzl s HIS 65 Ca 0.24 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.48 2dzl s HIS 65 Cb 0.07 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 2dzl s HIS 65 CO 0.02 -0.66 0.50 0.72 -2.47 0.00 0.00 174.74 172.85