#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzl s SER 2 N 0.00 4.62 -0.29 1.61 0.15 -1.26 -5.06 113.70 113.47 2dzl s SER 2 Ca 0.00 -0.47 -0.22 0.00 0.70 0.00 0.00 55.95 55.97 2dzl s SER 2 Cb 0.00 -1.79 0.14 0.00 -1.71 0.00 0.00 66.02 62.66 2dzl s SER 2 CO 0.00 -0.07 1.06 -0.55 1.20 0.00 0.00 173.24 174.88 2dzl s SER 3 N 1.49 -0.42 0.00 5.45 0.15 -1.26 -5.16 113.70 113.95 2dzl s SER 3 Ca 0.05 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2dzl s SER 3 Cb -0.15 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2dzl s SER 3 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dzl n GLY 4 N 2.71 0.72 3.35 9.45 0.00 -1.26 -5.18 105.19 114.97 2dzl n GLY 4 Ca -0.15 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 2dzl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dzl s SER 5 N 0.00 -0.33 -0.20 1.61 1.04 -1.26 -5.18 113.70 109.39 2dzl s SER 5 Ca 0.00 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 2dzl s SER 5 Cb 0.00 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.72 2dzl s SER 5 CO 0.00 -0.76 1.03 -0.55 0.98 0.00 0.00 173.24 173.94 2dzl s SER 6 N -2.30 -0.37 0.36 7.02 0.15 -1.26 -5.19 113.70 112.11 2dzl s SER 6 Ca -0.02 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.17 2dzl s SER 6 Cb 0.00 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2dzl s SER 6 CO -0.06 -0.28 0.19 -0.83 1.20 0.00 0.00 173.24 173.46 2dzl s GLY 7 N -0.76 2.38 0.68 9.45 0.00 -1.26 -5.13 107.32 112.69 2dzl s GLY 7 Ca -0.00 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.90 2dzl s GLY 7 CO -0.01 -1.64 -0.19 1.03 0.00 0.00 0.00 173.10 172.28 2dzl n MET 8 N -0.73 0.06 -2.72 2.90 0.00 -1.26 -4.77 117.12 110.59 2dzl n MET 8 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 57.70 57.30 2dzl n MET 8 Cb 0.64 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.70 2dzl n MET 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2dzl n SER 9 N 2.26 5.05 -3.54 7.83 3.41 -1.26 -4.89 113.62 122.47 2dzl n SER 9 Ca 0.06 -2.95 -0.16 0.00 -0.26 0.00 0.00 58.87 55.56 2dzl n SER 9 Cb 0.50 -1.66 -0.07 0.00 -0.26 0.00 0.00 64.21 62.71 2dzl n SER 9 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2dzl s VAL 10 N 2.94 0.00 0.26 -3.33 -7.23 -1.26 -4.79 120.40 106.99 2dzl s VAL 10 Ca 0.49 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2dzl s VAL 10 Cb 0.01 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2dzl s VAL 10 CO 0.04 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.63 2dzl n ASN 11 N -1.18 -4.88 -0.33 4.85 2.85 -1.26 -2.96 115.26 112.36 2dzl n ASN 11 Ca 0.04 0.53 0.30 0.00 -0.11 0.00 0.00 54.58 55.35 2dzl n ASN 11 Cb 0.63 -2.60 0.57 0.00 1.24 0.00 0.00 39.78 39.62 2dzl n ASN 11 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 2dzl h MET 12 N -0.77 0.07 -0.78 1.20 2.86 -2.02 0.74 114.93 116.23 2dzl h MET 12 Ca -0.04 -0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.77 2dzl h MET 12 Cb 0.76 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 32.26 2dzl h MET 12 CO 0.02 0.05 -0.11 0.22 1.06 0.00 0.00 176.91 178.15 2dzl h ASP 13 N 0.08 -0.58 -0.94 1.22 3.58 -2.00 0.97 116.42 118.75 2dzl h ASP 13 Ca 0.82 0.22 0.12 0.00 0.42 0.00 0.00 57.03 58.62 2dzl h ASP 13 Cb 2.13 0.43 -0.14 0.00 1.72 0.00 0.00 39.33 43.48 2dzl h ASP 13 CO -0.72 -0.24 -0.47 -0.08 -2.88 0.00 0.00 179.24 174.85 2dzl h GLU 14 N 0.03 -0.03 -0.63 0.28 4.81 0.62 0.96 114.58 120.62 2dzl h GLU 14 Ca 0.40 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.69 2dzl h GLU 14 Cb 0.66 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 2dzl h GLU 14 CO -0.76 -0.02 -0.47 -0.07 -0.73 0.00 0.00 179.01 176.96 2dzl h LEU 15 N -0.03 -1.67 -0.94 1.64 4.07 -0.91 0.55 115.31 118.01 2dzl h LEU 15 Ca 0.25 0.24 0.10 0.00 0.08 0.00 0.00 57.88 58.55 2dzl h LEU 15 Cb 0.52 0.72 -0.12 0.00 1.08 0.00 0.00 40.66 42.86 2dzl h LEU 15 CO -0.93 -0.24 -0.51 -1.14 -1.08 0.00 0.00 178.44 174.54 2dzl n ARG 16 N -4.85 -0.37 -0.00 1.13 0.00 0.29 -0.23 116.66 112.63 2dzl n ARG 16 Ca -0.00 1.42 -0.00 0.00 -0.00 0.00 0.00 57.85 59.27 2dzl n ARG 16 Cb 0.24 -2.10 -0.00 0.00 0.00 0.00 0.00 32.46 30.60 2dzl n ARG 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2dzl h HIS 17 N 0.00 -0.01 -0.98 -0.14 2.76 -0.42 1.10 115.15 117.46 2dzl h HIS 17 Ca 0.19 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 2dzl h HIS 17 Cb 0.43 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.27 2dzl h HIS 17 CO -0.93 -0.00 -0.58 0.37 -1.30 0.00 0.00 177.93 175.48 2dzl h GLN 18 N -0.00 -0.01 -0.25 5.26 4.15 -0.20 0.31 115.11 124.36 2dzl h GLN 18 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 2dzl h GLN 18 Cb 0.00 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.62 2dzl h GLN 18 CO -0.00 -0.01 -0.34 0.28 -1.93 0.00 0.00 178.83 176.84 2dzl h VAL 19 N -0.01 0.24 -0.14 2.39 2.07 0.04 -1.39 116.25 119.46 2dzl h VAL 19 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2dzl h VAL 19 Cb 0.42 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2dzl h VAL 19 CO -0.93 0.00 -0.19 0.24 0.02 0.00 0.00 177.57 176.71 2dzl h MET 20 N -0.34 -0.13 -0.62 1.57 2.86 0.47 0.75 114.93 119.49 2dzl h MET 20 Ca 0.13 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2dzl h MET 20 Cb 0.55 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 2dzl h MET 20 CO -0.44 -0.09 -0.37 0.82 1.06 0.00 0.00 176.91 177.89 2dzl h ILE 21 N -0.14 0.00 -0.54 -1.22 2.04 -0.43 0.48 117.51 117.71 2dzl h ILE 21 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 2dzl h ILE 21 Cb 0.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.18 2dzl h ILE 21 CO -0.20 0.00 -0.24 -1.13 0.00 0.00 0.00 178.15 176.57 2dzl h ASN 22 N -0.00 -0.85 0.00 1.72 -0.73 -0.70 0.61 115.58 115.63 2dzl h ASN 22 Ca 0.10 0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.46 2dzl h ASN 22 Cb 0.26 0.46 0.00 0.00 0.27 0.00 0.00 38.32 39.30 2dzl h ASN 22 CO -0.58 -0.26 0.00 0.00 -0.37 0.00 0.00 177.43 176.22 2dzl n GLN 23 N -5.42 0.00 -0.35 6.67 6.02 0.26 0.11 117.38 124.66 2dzl n GLN 23 Ca 0.05 0.74 0.30 0.00 -0.01 0.00 0.00 57.00 58.07 2dzl n GLN 23 Cb 0.33 -1.45 0.56 0.00 1.02 0.00 0.00 30.24 30.70 2dzl n GLN 23 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2dzl h PHE 24 N 0.00 0.80 -0.38 1.08 3.04 0.00 1.87 116.94 123.36 2dzl h PHE 24 Ca 0.00 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 2dzl h PHE 24 Cb 0.00 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 2dzl h PHE 24 CO -0.40 -0.30 -0.13 0.28 -2.02 0.00 0.00 178.31 175.74 2dzl h VAL 25 N 0.15 1.28 -0.11 1.41 2.07 0.60 0.14 116.25 121.79 2dzl h VAL 25 Ca 0.80 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 2dzl h VAL 25 Cb 2.10 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2dzl h VAL 25 CO -0.63 0.41 -0.56 -0.07 0.02 0.00 0.00 177.57 176.74 2dzl h LEU 26 N 0.55 0.36 -0.06 2.57 3.38 0.95 0.88 115.31 123.94 2dzl h LEU 26 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2dzl h LEU 26 Cb 0.66 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dzl h LEU 26 CO 0.04 0.84 -0.00 0.00 0.09 0.00 0.00 178.44 179.41 2dzl h ALA 27 N 1.16 0.08 -2.66 1.53 0.00 0.24 -3.40 119.26 116.21 2dzl h ALA 27 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dzl h ALA 27 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dzl h ALA 27 CO 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2dzl n ALA 28 N -2.28 0.00 0.00 0.00 0.00 0.47 -5.07 120.51 113.63 2dzl n ALA 28 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2dzl n ALA 28 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 2.42 0.59 3.92 0.00 0.00 0.30 -5.03 105.19 107.39 2dzl n GLY 29 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.84 2.12 0.14 0.00 0.00 -1.26 -4.83 120.51 114.83 2dzl n ALA 31 Ca -0.01 0.37 0.17 0.00 0.00 0.00 0.00 53.44 53.97 2dzl n ALA 31 Cb 0.64 -2.40 0.74 0.00 0.00 0.00 0.00 19.45 18.44 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 4.12 2.10 -0.28 0.00 0.00 -1.97 0.76 119.26 123.98 2dzl h ALA 32 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2dzl h ALA 32 Cb 1.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dzl h ALA 32 CO 0.74 -0.39 -0.07 0.22 0.00 0.00 0.00 179.25 179.75 2dzl h ASP 33 N 0.00 0.56 -0.40 0.00 3.58 -1.99 -3.14 116.42 115.02 2dzl h ASP 33 Ca 0.13 -0.37 0.08 0.00 0.42 0.00 0.00 57.03 57.30 2dzl h ASP 33 Cb 0.61 -0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.42 2dzl h ASP 33 CO -0.00 0.80 -0.32 1.56 -2.88 0.00 0.00 179.24 178.40 2dzl h GLN 34 N 0.31 -0.24 -0.37 0.28 4.20 -1.20 -2.08 115.11 116.01 2dzl h GLN 34 Ca 0.07 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2dzl h GLN 34 Cb 0.56 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 2dzl h GLN 34 CO 0.03 -0.16 -0.22 0.00 -0.67 0.00 0.00 178.83 177.81 2dzl h ALA 35 N 0.78 -0.22 -0.42 3.87 0.00 -1.48 1.37 119.26 123.16 2dzl h ALA 35 Ca 0.17 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2dzl h ALA 35 Cb 0.53 1.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 2dzl h ALA 35 CO -0.54 -0.38 -0.25 -0.22 0.00 0.00 0.00 179.25 177.87 2dzl h LYS 36 N -0.01 -0.00 0.01 0.00 3.64 -1.43 1.38 116.57 120.16 2dzl h LYS 36 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2dzl h LYS 36 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2dzl h LYS 36 CO -0.35 -0.00 -0.08 1.96 -2.27 0.00 0.00 179.45 178.71 2dzl h GLN 37 N -0.00 -0.10 -0.27 1.90 4.20 -0.59 0.35 115.11 120.59 2dzl h GLN 37 Ca 0.07 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2dzl h GLN 37 Cb 0.18 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2dzl h GLN 37 CO -0.40 -0.07 -0.16 -0.07 -0.67 0.00 0.00 178.83 177.46 2dzl h LEU 38 N -0.11 -0.59 -0.30 1.46 4.07 0.24 1.47 115.31 121.55 2dzl h LEU 38 Ca 0.00 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.08 2dzl h LEU 38 Cb 0.11 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 2dzl h LEU 38 CO -0.05 -0.06 -0.20 -0.07 -1.08 0.00 0.00 178.44 176.98 2dzl h LEU 39 N -0.00 -0.71 -0.44 1.67 3.38 0.20 0.89 115.31 120.30 2dzl h LEU 39 Ca 0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2dzl h LEU 39 Cb 0.11 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2dzl h LEU 39 CO -0.26 -0.09 -0.48 -0.61 0.09 0.00 0.00 178.44 177.10 2dzl h GLN 40 N -0.02 -0.32 -0.07 1.13 4.15 0.97 2.09 115.11 123.03 2dzl h GLN 40 Ca 0.05 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.51 2dzl h GLN 40 Cb 0.15 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 2dzl h GLN 40 CO -0.29 -0.21 0.34 0.00 -1.93 0.00 0.00 178.83 176.74 2dzl h ALA 41 N 0.30 1.46 -0.59 3.38 0.00 0.37 1.46 119.26 125.63 2dzl h ALA 41 Ca 0.12 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 2dzl h ALA 41 Cb 0.59 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 2dzl h ALA 41 CO -0.61 -0.38 0.20 0.00 0.00 0.00 0.00 179.25 178.46 2dzl n ALA 42 N -1.97 4.60 -1.83 0.00 0.00 0.52 -4.89 120.51 116.94 2dzl n ALA 42 Ca -0.01 -2.87 -0.14 0.00 0.00 0.00 0.00 53.44 50.42 2dzl n ALA 42 Cb 0.41 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.93 -0.72 -1.94 0.00 -0.00 0.50 0.19 115.22 112.32 2dzl n HIS 43 Ca 0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 58.01 2dzl n HIS 43 Cb 1.26 -2.86 -0.02 0.00 -0.00 0.00 0.00 29.99 28.38 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 -2.60 -0.38 -2.62 4.41 7.02 0.58 -4.90 117.44 118.95 2dzl n TRP 44 Ca -0.16 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.89 2dzl n TRP 44 Cb 0.54 -2.51 0.00 0.00 -2.42 0.00 0.00 31.31 26.92 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 -2.29 3.44 -0.20 -0.99 1.13 0.51 -4.87 117.38 114.12 2dzl n GLN 45 Ca -0.13 -3.63 -0.05 0.00 -1.94 0.00 0.00 57.00 51.25 2dzl n GLN 45 Cb 0.54 -3.03 -0.05 0.00 0.11 0.00 0.00 30.24 27.81 2dzl n GLN 45 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2dzl n PHE 46 N 5.09 -0.21 -0.18 1.08 -0.00 -1.26 0.19 117.46 122.17 2dzl n PHE 46 Ca 0.39 0.60 -0.05 0.00 -0.00 0.00 0.00 57.45 58.40 2dzl n PHE 46 Cb 0.40 -0.49 -0.04 0.00 -0.00 0.00 0.00 39.48 39.35 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 0.63 -4.13 4.39 -1.97 1.52 114.58 115.02 2dzl h GLU 47 Ca 0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2dzl h GLU 47 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2dzl h GLU 47 CO -0.45 -0.00 -0.36 1.15 -1.16 0.00 0.00 179.01 178.19 2dzl h THR 48 N -0.00 0.27 -0.83 1.13 2.02 -1.19 0.42 112.91 114.72 2dzl h THR 48 Ca 0.07 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.37 2dzl h THR 48 Cb 0.17 0.27 -0.14 0.00 -1.74 0.00 0.00 68.15 66.72 2dzl h THR 48 CO -0.40 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.08 2dzl h ALA 49 N -0.60 -0.06 0.73 6.16 0.00 0.30 0.78 119.26 126.57 2dzl h ALA 49 Ca -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2dzl h ALA 49 Cb 0.74 1.00 0.01 0.00 0.00 0.00 0.00 17.79 19.53 2dzl h ALA 49 CO 0.10 -0.72 -0.36 1.25 0.00 0.00 0.00 179.25 179.52 2dzl h LEU 50 N -0.08 -0.87 -0.98 0.00 5.85 0.23 0.92 115.31 120.39 2dzl h LEU 50 Ca 0.27 0.03 0.32 0.00 0.84 0.00 0.00 57.88 59.35 2dzl h LEU 50 Cb 0.56 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.66 2dzl h LEU 50 CO -0.86 -0.61 0.44 0.28 -0.34 0.00 0.00 178.44 177.35 2dzl h SER 51 N -1.00 0.26 0.19 1.25 0.02 0.20 0.63 113.55 115.10 2dzl h SER 51 Ca -0.10 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2dzl h SER 51 Cb 0.77 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2dzl h SER 51 CO 0.16 -0.24 -0.09 0.74 -1.14 0.00 0.00 176.83 176.26 2dzl h THR 52 N 0.19 0.00 -0.89 -2.27 2.02 0.10 -0.67 112.91 111.39 2dzl h THR 52 Ca 0.71 -0.14 0.23 0.00 0.77 0.00 0.00 66.41 67.99 2dzl h THR 52 Cb 1.66 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.91 2dzl h THR 52 CO -0.69 0.00 0.08 0.15 0.37 0.00 0.00 175.52 175.43 2dzl h PHE 53 N -0.39 0.07 -0.02 3.16 3.04 0.21 0.90 116.94 123.91 2dzl h PHE 53 Ca -0.03 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2dzl h PHE 53 Cb 0.19 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 2dzl h PHE 53 CO 0.09 -0.32 0.01 0.74 -2.02 0.00 0.00 178.31 176.81 2dzl h PHE 54 N 0.09 0.03 0.00 0.41 -1.00 0.18 -0.73 116.94 115.91 2dzl h PHE 54 Ca 0.53 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.31 2dzl h PHE 54 Cb 1.06 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2dzl h PHE 54 CO -0.41 0.11 0.00 1.96 -1.61 0.00 0.00 178.31 178.36 2dzl h GLN 55 N -0.07 0.00 0.14 1.51 1.08 0.10 -3.14 115.11 114.73 2dzl h GLN 55 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2dzl h GLN 55 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2dzl h GLN 55 CO -0.00 0.00 -0.07 0.93 -0.95 0.00 0.00 178.83 178.74 2dzl h GLU 56 N 0.00 -0.18 -6.49 1.46 4.39 0.15 -3.48 114.58 110.43 2dzl h GLU 56 Ca 0.00 0.01 -0.43 0.00 0.34 0.00 0.00 59.36 59.28 2dzl h GLU 56 Cb 0.31 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2dzl h GLU 56 CO 0.00 -0.12 -1.05 -2.37 -1.16 0.00 0.00 179.01 174.31 2dzl n THR 57 N -4.08 -3.10 -2.08 1.13 5.66 -0.36 -4.23 114.28 107.21 2dzl n THR 57 Ca -0.02 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2dzl n THR 57 Cb 0.07 -2.79 0.00 0.00 -1.55 0.00 0.00 70.33 66.06 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 -1.66 -8.79 -4.89 1.09 4.13 -1.26 -4.98 115.26 98.90 2dzl n ASN 58 Ca -0.23 1.44 -0.29 0.00 1.68 0.00 0.00 54.58 57.18 2dzl n ASN 58 Cb 0.64 -4.91 -0.01 0.00 -1.54 0.00 0.00 39.78 33.96 2dzl n ASN 58 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2dzl s ILE 59 N -0.51 4.82 0.72 2.41 -0.00 -1.26 -5.06 121.20 122.31 2dzl s ILE 59 Ca 0.00 0.48 -0.11 0.00 -0.00 0.00 0.00 60.65 61.02 2dzl s ILE 59 Cb 0.00 -3.83 0.02 0.00 -0.00 0.00 0.00 42.46 38.65 2dzl s ILE 59 CO 0.00 -0.83 1.07 -2.16 -0.00 0.00 0.00 174.94 173.02 2dzl s PRO 60 N -4.60 2.74 0.16 0.37 0.04 -1.26 -5.06 135.00 127.38 2dzl s PRO 60 Ca 0.50 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 2dzl s PRO 60 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2dzl s PRO 60 CO 0.43 -1.22 0.33 -0.80 0.04 0.00 0.00 177.00 175.78 2dzl s ASN 61 N -3.82 6.38 -0.41 6.66 -0.87 -1.26 -4.67 114.94 116.96 2dzl s ASN 61 Ca 0.59 0.35 -0.30 0.00 -1.57 0.00 0.00 52.86 51.92 2dzl s ASN 61 Cb -0.14 -1.99 0.04 0.00 -0.02 0.00 0.00 41.25 39.15 2dzl s ASN 61 CO 0.55 0.03 0.59 -0.24 -2.57 0.00 0.00 177.10 175.46 2dzl n SER 62 N -0.36 -6.23 -0.03 -1.22 2.88 -1.26 -4.97 113.62 102.43 2dzl n SER 62 Ca -0.05 0.09 -0.04 0.00 -1.33 0.00 0.00 58.87 57.54 2dzl n SER 62 Cb 0.53 -2.64 -0.01 0.00 -0.75 0.00 0.00 64.21 61.34 2dzl n SER 62 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2dzl n HIS 63 N -0.08 0.00 0.00 0.66 -0.00 -1.26 -4.74 115.22 109.80 2dzl n HIS 63 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.55 2dzl n HIS 63 Cb 0.60 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 30.30 2dzl n HIS 63 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dzl h HIS 64 N -0.41 -1.44 -2.07 1.57 3.86 -1.97 -3.41 115.15 111.28 2dzl h HIS 64 Ca 0.00 0.05 -0.49 0.00 -1.16 0.00 0.00 60.37 58.78 2dzl h HIS 64 Cb 0.41 0.64 0.24 0.00 1.06 0.00 0.00 27.41 29.76 2dzl h HIS 64 CO -0.18 -0.49 -1.57 0.72 0.86 0.00 0.00 177.93 177.27 2dzl n HIS 65 N -5.11 -1.81 0.00 2.45 -0.00 -1.26 -5.30 115.22 104.18 2dzl n HIS 65 Ca -0.06 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2dzl n HIS 65 Cb 0.34 -1.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.80 2dzl n HIS 65 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06