#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 0.49 0.09 1.61 0.01 -1.26 -5.15 113.70 109.49 2dzl s SER 2 Ca 0.00 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.33 2dzl s SER 2 Cb 0.00 0.92 -0.06 0.00 0.21 0.00 0.00 66.02 67.09 2dzl s SER 2 CO 0.00 -0.30 0.49 -0.94 0.41 0.00 0.00 173.24 172.90 2dzl s SER 3 N 2.49 6.82 0.00 2.44 1.04 -1.26 -4.83 113.70 120.40 2dzl s SER 3 Ca 0.09 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2dzl s SER 3 Cb -0.15 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2dzl s SER 3 CO -0.14 0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dzl n GLY 4 N 1.20 0.71 2.79 7.32 0.00 -1.26 -5.13 105.19 110.82 2dzl n GLY 4 Ca -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 2dzl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dzl s SER 5 N 0.00 -1.00 -0.29 1.61 0.01 -1.26 -5.14 113.70 107.62 2dzl s SER 5 Ca 0.00 -1.06 -0.22 0.00 1.31 0.00 0.00 55.95 55.98 2dzl s SER 5 Cb 0.00 1.31 0.15 0.00 0.21 0.00 0.00 66.02 67.69 2dzl s SER 5 CO 0.00 -0.05 1.14 -0.94 0.41 0.00 0.00 173.24 173.80 2dzl s SER 6 N 1.10 -0.33 -0.03 2.44 1.04 -1.26 -5.15 113.70 111.51 2dzl s SER 6 Ca 0.25 0.58 -0.19 0.00 0.48 0.00 0.00 55.95 57.08 2dzl s SER 6 Cb 0.04 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.91 2dzl s SER 6 CO -0.08 -0.10 0.53 -0.83 0.98 0.00 0.00 173.24 173.74 2dzl s GLY 7 N 0.57 2.53 0.24 7.32 0.00 -1.26 -5.08 107.32 111.64 2dzl s GLY 7 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.73 2dzl s GLY 7 CO -0.11 0.64 -0.16 -0.29 0.00 0.00 0.00 173.10 173.18 2dzl s MET 8 N -0.13 1.47 -0.89 2.90 0.00 -1.26 -5.08 119.30 116.31 2dzl s MET 8 Ca 0.28 -1.67 -0.18 0.00 0.00 0.00 0.00 55.69 54.13 2dzl s MET 8 Cb -0.17 -1.38 0.15 0.00 0.00 0.00 0.00 34.83 33.43 2dzl s MET 8 CO 0.15 0.24 1.02 0.45 0.00 0.00 0.00 175.02 176.88 2dzl s SER 9 N -3.40 6.64 0.00 1.11 0.15 -1.26 -4.31 113.70 112.63 2dzl s SER 9 Ca 0.26 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.74 2dzl s SER 9 Cb -0.02 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dzl s SER 9 CO 0.10 -0.95 0.00 0.55 1.20 0.00 0.00 173.24 174.14 2dzl n VAL 10 N 5.13 0.00 -1.41 4.45 3.14 -1.26 -5.17 118.33 123.22 2dzl n VAL 10 Ca 0.20 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.75 2dzl n VAL 10 Cb 0.48 -0.04 -0.08 0.00 -1.06 0.00 0.00 33.84 33.14 2dzl n VAL 10 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2dzl n ASN 11 N -2.15 -7.73 -3.32 6.55 4.13 -1.26 -4.88 115.26 106.59 2dzl n ASN 11 Ca 0.00 1.23 -0.23 0.00 1.68 0.00 0.00 54.58 57.26 2dzl n ASN 11 Cb 0.00 -4.72 -0.09 0.00 -1.54 0.00 0.00 39.78 33.43 2dzl n ASN 11 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2dzl s MET 12 N -3.97 0.82 -0.18 3.52 -1.94 -1.26 -4.98 119.30 111.31 2dzl s MET 12 Ca 0.00 -1.68 -0.15 0.00 -1.71 0.00 0.00 55.69 52.16 2dzl s MET 12 Cb 0.00 -1.13 -0.07 0.00 2.01 0.00 0.00 34.83 35.64 2dzl s MET 12 CO 0.00 -1.32 -0.22 -3.47 -0.01 0.00 0.00 175.02 170.00 2dzl n ASP 13 N 3.25 1.88 0.18 3.03 -0.08 -1.26 -4.01 116.55 119.54 2dzl n ASP 13 Ca 0.23 0.46 -0.15 0.00 -1.51 0.00 0.00 54.79 53.81 2dzl n ASP 13 Cb 0.47 -0.83 -0.08 0.00 2.34 0.00 0.00 41.12 43.02 2dzl n ASP 13 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2dzl h GLU 14 N -1.00 -0.70 -0.29 -0.67 4.81 -1.99 -2.09 114.58 112.64 2dzl h GLU 14 Ca -0.14 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2dzl h GLU 14 Cb 0.94 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2dzl h GLU 14 CO -0.09 -0.47 -0.18 1.25 -0.73 0.00 0.00 179.01 178.80 2dzl h LEU 15 N -0.73 -0.66 -0.95 1.64 6.46 -1.96 0.22 115.31 119.34 2dzl h LEU 15 Ca -0.00 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 57.96 2dzl h LEU 15 Cb 0.70 0.29 -0.13 0.00 -0.73 0.00 0.00 40.66 40.79 2dzl h LEU 15 CO -0.16 -0.08 -0.49 -1.14 -0.62 0.00 0.00 178.44 175.95 2dzl n ARG 16 N -3.67 -0.35 0.00 1.25 0.00 -1.12 0.51 116.66 113.28 2dzl n ARG 16 Ca 0.00 1.44 -0.04 0.00 -0.00 0.00 0.00 57.85 59.26 2dzl n ARG 16 Cb 0.08 -2.12 -0.02 0.00 0.00 0.00 0.00 32.46 30.39 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 -0.39 -0.73 -0.14 2.76 -0.20 0.45 115.15 116.91 2dzl h HIS 17 Ca 0.22 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.49 2dzl h HIS 17 Cb 0.45 0.17 -0.11 0.00 1.55 0.00 0.00 27.41 29.47 2dzl h HIS 17 CO -0.92 -0.13 -0.49 0.37 -1.30 0.00 0.00 177.93 175.45 2dzl h GLN 18 N -0.15 -0.15 -0.48 5.26 4.15 0.87 0.22 115.11 124.82 2dzl h GLN 18 Ca 0.01 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.53 2dzl h GLN 18 Cb 0.17 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.79 2dzl h GLN 18 CO -0.10 -0.10 -0.32 0.28 -1.93 0.00 0.00 178.83 176.66 2dzl h VAL 19 N -0.16 0.22 -0.02 2.39 2.07 0.54 0.35 116.25 121.64 2dzl h VAL 19 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 2dzl h VAL 19 Cb 0.53 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2dzl h VAL 19 CO -0.79 0.00 -0.24 0.24 0.02 0.00 0.00 177.57 176.80 2dzl h MET 20 N -0.20 -0.28 -0.61 1.57 2.86 0.29 0.50 114.93 119.05 2dzl h MET 20 Ca 0.20 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 2dzl h MET 20 Cb 0.54 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 2dzl h MET 20 CO -0.60 -0.19 -0.47 0.82 1.06 0.00 0.00 176.91 177.54 2dzl h ILE 21 N -0.29 0.00 -0.71 -1.22 2.04 -0.36 0.67 117.51 117.64 2dzl h ILE 21 Ca 0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.02 2dzl h ILE 21 Cb 0.32 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.27 2dzl h ILE 21 CO -0.18 0.00 -0.06 -1.13 0.00 0.00 0.00 178.15 176.78 2dzl h ASN 22 N -0.13 -0.45 0.22 1.72 -1.24 -0.59 0.30 115.58 115.41 2dzl h ASN 22 Ca 0.10 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 2dzl h ASN 22 Cb 0.39 0.36 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 2dzl h ASN 22 CO -0.65 -0.19 -0.18 1.56 -1.29 0.00 0.00 177.43 176.69 2dzl h GLN 23 N 0.06 -0.37 -0.85 6.67 4.20 0.47 0.21 115.11 125.50 2dzl h GLN 23 Ca 0.37 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.30 2dzl h GLN 23 Cb 0.61 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 28.32 2dzl h GLN 23 CO -0.66 -0.25 -0.04 0.35 -0.67 0.00 0.00 178.83 177.57 2dzl h PHE 24 N -0.39 -0.14 -0.86 2.96 3.04 0.82 1.74 116.94 124.12 2dzl h PHE 24 Ca -0.03 0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.00 2dzl h PHE 24 Cb 0.32 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 2dzl h PHE 24 CO -0.07 -0.32 0.57 0.28 -2.02 0.00 0.00 178.31 176.74 2dzl h VAL 25 N 0.06 1.19 -0.10 1.41 2.07 -0.16 0.72 116.25 121.44 2dzl h VAL 25 Ca 0.47 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 2dzl h VAL 25 Cb 0.85 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2dzl h VAL 25 CO -0.79 0.21 -0.37 -0.07 0.02 0.00 0.00 177.57 176.57 2dzl h LEU 26 N 1.13 0.50 -0.20 2.57 3.38 0.47 1.40 115.31 124.56 2dzl h LEU 26 Ca 0.32 -0.62 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2dzl h LEU 26 Cb -0.08 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2dzl h LEU 26 CO -0.08 1.03 -0.20 0.00 0.09 0.00 0.00 178.44 179.28 2dzl h ALA 27 N 0.47 -0.09 -0.94 1.53 0.00 0.26 -3.33 119.26 117.17 2dzl h ALA 27 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dzl h ALA 27 Cb 1.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2dzl h ALA 27 CO 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.69 2dzl n ALA 28 N -2.72 0.00 0.00 0.00 0.00 0.19 -5.05 120.51 112.93 2dzl n ALA 28 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2dzl n ALA 28 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 2.07 0.98 2.61 0.00 0.00 0.48 -5.05 105.19 106.27 2dzl n GLY 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.13 2.00 -0.36 0.00 0.00 -1.26 -4.85 120.51 113.91 2dzl n ALA 31 Ca -0.13 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.78 2dzl n ALA 31 Cb 0.44 -2.39 0.24 0.00 0.00 0.00 0.00 19.45 17.74 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 4.70 1.51 -0.01 0.00 0.00 -1.96 -1.27 119.26 122.24 2dzl h ALA 32 Ca -0.46 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2dzl h ALA 32 Cb 1.24 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2dzl h ALA 32 CO 0.79 0.20 -0.28 -0.44 0.00 0.00 0.00 179.25 179.52 2dzl h ASP 33 N 0.97 -0.84 -0.94 0.00 3.32 -1.99 -2.10 116.42 114.84 2dzl h ASP 33 Ca 0.50 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.80 2dzl h ASP 33 Cb 0.52 0.34 -0.15 0.00 0.22 0.00 0.00 39.33 40.26 2dzl h ASP 33 CO -0.27 -0.35 -0.39 0.00 -1.72 0.00 0.00 179.24 176.51 2dzl n GLN 34 N -5.39 -0.24 -0.17 3.56 1.13 -0.49 -0.53 117.38 115.25 2dzl n GLN 34 Ca -0.05 1.44 -0.05 0.00 -1.94 0.00 0.00 57.00 56.41 2dzl n GLN 34 Cb 0.30 -2.14 -0.04 0.00 0.11 0.00 0.00 30.24 28.47 2dzl n GLN 34 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dzl h ALA 35 N 1.22 -0.27 -0.48 -1.58 0.00 -1.30 1.35 119.26 118.19 2dzl h ALA 35 Ca 0.31 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2dzl h ALA 35 Cb 0.54 1.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2dzl h ALA 35 CO -0.93 -0.45 -0.28 1.17 0.00 0.00 0.00 179.25 178.76 2dzl n LYS 36 N -3.97 -0.21 0.02 0.00 4.81 0.31 0.19 118.16 119.31 2dzl n LYS 36 Ca 0.01 1.24 -0.03 0.00 -0.87 0.00 0.00 58.31 58.66 2dzl n LYS 36 Cb 0.12 -1.85 -0.02 0.00 0.02 0.00 0.00 35.03 33.31 2dzl n LYS 36 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dzl h GLN 37 N 0.00 -0.12 -0.55 1.64 4.20 -0.62 0.45 115.11 120.11 2dzl h GLN 37 Ca 0.08 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2dzl h GLN 37 Cb 0.20 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 2dzl h GLN 37 CO -0.45 -0.08 -0.33 1.28 -0.67 0.00 0.00 178.83 178.58 2dzl n LEU 38 N -2.90 -0.58 -0.07 1.46 4.32 0.45 0.19 117.00 119.87 2dzl n LEU 38 Ca -0.01 1.42 -0.04 0.00 -0.02 0.00 0.00 56.01 57.35 2dzl n LEU 38 Cb 0.07 -0.34 -0.03 0.00 -1.62 0.00 0.00 43.42 41.49 2dzl n LEU 38 CO 0.03 -1.02 0.50 -0.07 -1.22 0.00 0.00 177.39 175.61 2dzl h LEU 39 N 0.00 -0.64 -0.46 2.23 3.38 0.22 0.85 115.31 120.89 2dzl h LEU 39 Ca 0.09 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2dzl h LEU 39 Cb 0.23 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 2dzl h LEU 39 CO -0.52 -0.12 -0.51 -0.61 0.09 0.00 0.00 178.44 176.77 2dzl h GLN 40 N -0.11 -0.33 -0.07 1.13 4.15 0.13 2.17 115.11 122.20 2dzl h GLN 40 Ca 0.03 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.49 2dzl h GLN 40 Cb 0.19 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 2dzl h GLN 40 CO -0.22 -0.22 0.33 0.00 -1.93 0.00 0.00 178.83 176.79 2dzl h ALA 41 N 0.19 1.45 -0.60 3.38 0.00 0.30 1.47 119.26 125.45 2dzl h ALA 41 Ca 0.11 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2dzl h ALA 41 Cb 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 2dzl h ALA 41 CO -0.62 -0.36 0.21 0.00 0.00 0.00 0.00 179.25 178.47 2dzl n ALA 42 N -1.98 4.53 -1.85 0.00 0.00 0.54 -4.89 120.51 116.88 2dzl n ALA 42 Ca -0.01 -2.78 -0.14 0.00 0.00 0.00 0.00 53.44 50.51 2dzl n ALA 42 Cb 0.40 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.83 -0.74 -1.97 0.00 -0.00 0.50 0.19 115.22 112.38 2dzl n HIS 43 Ca 0.40 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 58.00 2dzl n HIS 43 Cb 1.27 -2.85 -0.02 0.00 -0.00 0.00 0.00 29.99 28.39 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 -2.62 -0.40 -2.59 4.41 7.02 0.61 -4.90 117.44 118.96 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 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.87 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 -2.30 3.44 -0.21 -0.99 1.13 0.51 -4.86 117.38 114.10 2dzl n GLN 45 Ca -0.14 -3.60 -0.05 0.00 -1.94 0.00 0.00 57.00 51.27 2dzl n GLN 45 Cb 0.55 -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 5.07 -0.22 -0.11 1.08 -0.00 -1.26 0.18 117.46 122.20 2dzl n PHE 46 Ca 0.40 0.61 -0.04 0.00 -0.00 0.00 0.00 57.45 58.42 2dzl n PHE 46 Cb 0.40 -0.49 -0.03 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 -0.05 -0.08 -4.13 5.08 -1.97 1.21 114.58 114.65 2dzl h GLU 47 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2dzl h GLU 47 Cb 0.20 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2dzl h GLU 47 CO -0.46 -0.03 -0.19 1.15 -1.00 0.00 0.00 179.01 178.48 2dzl h THR 48 N -0.05 0.53 -0.21 1.13 2.02 -1.27 0.66 112.91 115.72 2dzl h THR 48 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2dzl h THR 48 Cb 0.16 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 2dzl h THR 48 CO -0.28 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.21 2dzl h ALA 49 N 0.70 -0.70 0.07 6.16 0.00 0.32 1.44 119.26 127.24 2dzl h ALA 49 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2dzl h ALA 49 Cb 0.39 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2dzl h ALA 49 CO -0.23 -0.88 -0.32 1.25 0.00 0.00 0.00 179.25 179.07 2dzl h LEU 50 N -0.35 -0.95 -0.80 0.00 5.85 0.17 1.36 115.31 120.59 2dzl h LEU 50 Ca 0.04 0.12 0.19 0.00 0.84 0.00 0.00 57.88 59.07 2dzl h LEU 50 Cb 0.46 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 41.73 2dzl h LEU 50 CO -0.38 -0.40 0.21 0.28 -0.34 0.00 0.00 178.44 177.80 2dzl h SER 51 N -0.52 0.02 0.16 1.25 0.02 0.12 0.22 113.55 114.82 2dzl h SER 51 Ca 0.04 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2dzl h SER 51 Cb 0.57 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2dzl h SER 51 CO -0.22 -0.08 -0.08 0.74 -1.14 0.00 0.00 176.83 176.05 2dzl h THR 52 N 0.26 0.00 -1.15 -2.27 2.02 0.32 -1.48 112.91 110.61 2dzl h THR 52 Ca 0.47 -0.21 0.41 0.00 0.77 0.00 0.00 66.41 67.86 2dzl h THR 52 Cb 0.87 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.15 2dzl h THR 52 CO -0.57 0.00 0.72 0.33 0.37 0.00 0.00 175.52 176.37 2dzl n PHE 53 N -3.17 0.69 0.08 3.16 7.35 0.45 0.12 117.46 126.14 2dzl n PHE 53 Ca -0.03 0.70 -0.08 0.00 -0.76 0.00 0.00 57.45 57.28 2dzl n PHE 53 Cb 0.09 -1.12 -0.05 0.00 0.35 0.00 0.00 39.48 38.74 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 -0.27 -0.00 -5.13 0.04 -0.59 -3.20 116.94 107.80 2dzl h PHE 54 Ca 0.77 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.53 2dzl h PHE 54 Cb 2.40 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 40.64 2dzl h PHE 54 CO -0.01 0.04 0.02 1.96 -0.60 0.00 0.00 178.31 179.73 2dzl h GLN 55 N -0.99 0.00 0.79 1.51 4.20 0.10 -2.53 115.11 118.19 2dzl h GLN 55 Ca -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2dzl h GLN 55 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2dzl h GLN 55 CO 0.05 0.00 -0.45 0.93 -0.67 0.00 0.00 178.83 178.69 2dzl h GLU 56 N 0.00 -1.11 -6.92 1.46 5.08 0.90 -3.45 114.58 110.54 2dzl h GLU 56 Ca 0.00 0.08 -0.59 0.00 -1.00 0.00 0.00 59.36 57.85 2dzl h GLU 56 Cb 0.05 0.25 -0.35 0.00 0.50 0.00 0.00 28.75 29.20 2dzl h GLU 56 CO -0.00 -0.74 -0.85 -2.37 -1.00 0.00 0.00 179.01 174.05 2dzl n THR 57 N -5.60 -0.10 -0.17 1.13 5.66 -0.96 -4.70 114.28 109.55 2dzl n THR 57 Ca -0.15 -0.05 0.27 0.00 -3.05 0.00 0.00 64.05 61.08 2dzl n THR 57 Cb 0.47 -0.51 0.70 0.00 -1.55 0.00 0.00 70.33 69.45 2dzl n THR 57 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2dzl h ASN 58 N -0.89 0.03 -4.23 1.09 4.21 -1.88 -3.41 115.58 110.50 2dzl h ASN 58 Ca -0.56 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.44 2dzl h ASN 58 Cb 1.29 -0.00 0.11 0.00 -1.12 0.00 0.00 38.32 38.61 2dzl h ASN 58 CO 0.82 0.01 0.36 0.27 -1.29 0.00 0.00 177.43 177.60 2dzl s ILE 59 N -5.02 3.21 -0.18 2.81 -4.36 -1.26 -4.95 121.20 111.45 2dzl s ILE 59 Ca -0.05 0.51 -0.29 0.00 -0.26 0.00 0.00 60.65 60.56 2dzl s ILE 59 Cb 0.21 -3.02 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 2dzl s ILE 59 CO 0.77 -0.39 1.29 -2.16 0.24 0.00 0.00 174.94 174.69 2dzl s PRO 60 N -4.30 4.18 -0.16 0.37 0.04 -1.26 -4.98 135.00 128.88 2dzl s PRO 60 Ca 0.66 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2dzl s PRO 60 Cb -0.20 -3.79 0.10 0.00 0.04 0.00 0.00 34.50 30.64 2dzl s PRO 60 CO 0.46 -0.78 0.86 1.21 0.04 0.00 0.00 177.00 178.78 2dzl s ASN 61 N 2.18 -0.54 -0.16 6.66 2.47 -1.26 -5.13 114.94 119.16 2dzl s ASN 61 Ca 0.56 0.75 -0.29 0.00 0.42 0.00 0.00 52.86 54.30 2dzl s ASN 61 Cb -0.21 0.66 -0.02 0.00 -1.45 0.00 0.00 41.25 40.23 2dzl s ASN 61 CO 0.16 -0.38 1.36 -0.55 -3.72 0.00 0.00 177.10 173.97 2dzl s SER 62 N -0.67 6.83 0.12 -4.21 0.15 -1.26 -4.82 113.70 109.84 2dzl s SER 62 Ca -0.04 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2dzl s SER 62 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dzl s SER 62 CO 0.03 -0.85 0.00 1.57 1.20 0.00 0.00 173.24 175.19 2dzl n HIS 63 N 6.92 -0.51 -3.03 3.44 -0.00 -1.26 -5.10 115.22 115.68 2dzl n HIS 63 Ca 0.15 0.09 -0.00 0.00 0.46 0.00 0.00 57.72 58.42 2dzl n HIS 63 Cb 0.45 0.14 -0.00 0.00 -0.12 0.00 0.00 29.99 30.45 2dzl n HIS 63 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2dzl n HIS 64 N -3.29 -1.29 -2.68 1.57 8.25 -1.26 -4.98 115.22 111.54 2dzl n HIS 64 Ca 0.00 0.58 -0.21 0.00 -0.26 0.00 0.00 57.72 57.84 2dzl n HIS 64 Cb 0.00 -1.96 0.04 0.00 1.12 0.00 0.00 29.99 29.19 2dzl n HIS 64 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2dzl s HIS 65 N -1.14 2.75 0.00 4.41 -3.43 -1.26 -5.33 115.29 111.29 2dzl s HIS 65 Ca -0.01 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 2dzl s HIS 65 Cb 0.00 -2.72 0.00 0.00 -1.43 0.00 0.00 32.58 28.43 2dzl s HIS 65 CO 0.25 -0.89 0.00 -2.39 -2.00 0.00 0.00 174.74 169.71