#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 n ASP 2 N 0.00 -0.04 -4.68 4.52 5.75 -1.26 -5.03 116.55 115.82 2b89 n ASP 2 Ca 0.00 -0.27 -0.31 0.00 -0.01 0.00 0.00 54.79 54.21 2b89 n ASP 2 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 2b89 n ASP 2 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2b89 s ASN 3 N -1.07 3.14 0.00 -1.12 0.01 -1.26 -4.88 114.94 109.76 2b89 s ASN 3 Ca 0.00 1.96 0.14 0.00 -0.71 0.00 0.00 52.86 54.25 2b89 s ASN 3 Cb 0.00 -2.49 0.82 0.00 0.41 0.00 0.00 41.25 39.99 2b89 s ASN 3 CO 0.00 -2.93 1.49 0.29 -1.51 0.00 0.00 177.10 174.45 2b89 n LYS 4 N -4.11 0.96 0.22 -0.60 5.02 -1.26 -4.09 118.16 114.29 2b89 n LYS 4 Ca 0.10 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 2b89 n LYS 4 Cb 0.53 -1.22 -0.08 0.00 -0.02 0.00 0.00 35.03 34.24 2b89 n LYS 4 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2b89 h PHE 5 N 0.00 -1.00 -0.37 2.13 -1.00 -1.98 -1.50 116.94 113.21 2b89 h PHE 5 Ca 0.00 0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.85 2b89 h PHE 5 Cb 0.00 0.39 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 2b89 h PHE 5 CO 0.00 -0.51 0.04 -0.91 -1.61 0.00 0.00 178.31 175.32 2b89 h ASN 6 N -0.74 -0.07 -0.72 2.17 2.35 -1.97 0.93 115.58 117.53 2b89 h ASN 6 Ca -0.02 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2b89 h ASN 6 Cb 0.68 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 2b89 h ASN 6 CO -0.08 0.00 0.42 0.50 -1.65 0.00 0.00 177.43 176.61 2b89 h LYS 7 N 0.15 1.00 -0.30 0.81 1.63 -1.83 1.04 116.57 119.08 2b89 h LYS 7 Ca 0.18 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 2b89 h LYS 7 Cb 0.23 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2b89 h LYS 7 CO -0.27 0.73 -0.30 1.49 -3.45 0.00 0.00 179.45 177.65 2b89 h GLU 8 N 0.99 0.61 -0.02 1.90 4.57 -0.43 -2.79 114.58 119.41 2b89 h GLU 8 Ca 0.26 -0.26 -0.19 0.00 -1.18 0.00 0.00 59.36 57.98 2b89 h GLU 8 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2b89 h GLU 8 CO -0.04 0.84 -0.81 0.00 -1.18 0.00 0.00 179.01 177.81 2b89 h ARG 9 N 0.53 0.26 -0.16 1.92 3.08 0.17 -1.78 114.38 118.40 2b89 h ARG 9 Ca 0.07 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2b89 h ARG 9 Cb 0.78 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2b89 h ARG 9 CO 0.06 0.94 0.05 0.28 -1.07 0.00 0.00 179.97 180.23 2b89 h VAL 10 N 0.16 1.17 -0.24 2.04 2.07 0.13 1.75 116.25 123.33 2b89 h VAL 10 Ca -0.04 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2b89 h VAL 10 Cb 1.41 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2b89 h VAL 10 CO 0.13 0.16 0.13 0.40 0.02 0.00 0.00 177.57 178.41 2b89 h ILE 11 N 0.08 1.12 -0.08 4.57 2.04 -1.55 0.12 117.51 123.81 2b89 h ILE 11 Ca 0.05 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2b89 h ILE 11 Cb 0.20 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2b89 h ILE 11 CO -0.00 0.12 -0.13 0.00 0.00 0.00 0.00 178.15 178.13 2b89 h ALA 12 N 1.01 0.12 -0.75 1.87 0.00 -1.07 0.29 119.26 120.74 2b89 h ALA 12 Ca 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2b89 h ALA 12 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2b89 h ALA 12 CO -0.01 0.01 0.41 0.97 0.00 0.00 0.00 179.25 180.63 2b89 h ILE 13 N -0.23 1.22 -0.49 0.00 2.10 0.27 0.64 117.51 121.02 2b89 h ILE 13 Ca 0.01 -0.54 -0.07 0.00 1.08 0.00 0.00 64.86 65.33 2b89 h ILE 13 Cb 0.70 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2b89 h ILE 13 CO 0.03 0.25 0.02 1.23 -1.08 0.00 0.00 178.15 178.60 2b89 h GLY 14 N 1.08 0.86 0.73 8.18 0.00 -0.70 0.92 103.07 114.13 2b89 h GLY 14 Ca 0.27 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2b89 h GLY 14 CO -0.04 0.52 -0.18 0.83 0.00 0.00 0.00 176.54 177.66 2b89 h GLU 15 N 0.75 0.35 -0.28 4.80 4.39 0.11 -3.00 114.58 121.71 2b89 h GLU 15 Ca 0.15 -0.21 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 2b89 h GLU 15 Cb 0.42 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2b89 h GLU 15 CO 0.02 0.78 -0.46 0.82 -1.16 0.00 0.00 179.01 179.01 2b89 h ILE 16 N -0.05 1.29 0.00 3.13 2.04 0.43 -3.01 117.51 121.33 2b89 h ILE 16 Ca 0.01 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 2b89 h ILE 16 Cb 0.74 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2b89 h ILE 16 CO 0.04 0.53 -0.01 0.24 0.00 0.00 0.00 178.15 178.95 2b89 h MET 17 N 0.55 0.00 -0.11 2.37 2.86 0.78 -1.53 114.93 119.86 2b89 h MET 17 Ca 0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 2b89 h MET 17 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2b89 h MET 17 CO 0.10 0.01 -0.59 -0.09 1.06 0.00 0.00 176.91 177.41 2b89 h ARG 18 N 0.00 0.36 -5.91 1.72 2.43 -1.38 -3.44 114.38 108.16 2b89 h ARG 18 Ca -0.00 -0.24 -0.67 0.00 -0.81 0.00 0.00 59.98 58.25 2b89 h ARG 18 Cb 0.17 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2b89 h ARG 18 CO 0.00 0.85 1.43 1.28 -1.51 0.00 0.00 179.97 182.02 2b89 n LEU 19 N -3.91 1.69 0.07 3.80 4.77 -0.58 -4.84 117.00 118.01 2b89 n LEU 19 Ca -0.03 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2b89 n LEU 19 Cb 0.62 -1.17 0.47 0.00 -2.33 0.00 0.00 43.42 41.01 2b89 n LEU 19 CO 0.46 -0.78 0.90 -0.81 -1.33 0.00 0.00 177.39 175.82 2b89 n PRO 20 N 8.10 0.17 -1.36 3.23 -0.05 -1.26 -3.82 135.00 140.00 2b89 n PRO 20 Ca 0.46 0.18 -0.25 0.00 -0.05 0.00 0.00 63.50 63.84 2b89 n PRO 20 Cb 0.17 -1.71 0.11 0.00 -0.05 0.00 0.00 33.50 32.01 2b89 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b89 n ASN 21 N -2.01 5.41 -4.03 3.54 3.02 -1.26 -4.90 115.26 115.03 2b89 n ASN 21 Ca 0.05 -3.75 -0.16 0.00 -0.03 0.00 0.00 54.58 50.69 2b89 n ASN 21 Cb 0.37 -0.75 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 2b89 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b89 s LEU 22 N -3.58 2.12 0.56 3.41 1.43 -1.25 -4.06 118.68 117.31 2b89 s LEU 22 Ca 0.57 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 2b89 s LEU 22 Cb 0.46 -0.30 -0.06 0.00 0.03 0.00 0.00 46.19 46.32 2b89 s LEU 22 CO 0.02 -0.02 1.01 0.54 0.23 0.00 0.00 176.35 178.13 2b89 s ASN 23 N -0.76 6.39 0.40 2.29 2.20 -1.26 -4.74 114.94 119.45 2b89 s ASN 23 Ca -0.02 1.57 0.17 0.00 -0.94 0.00 0.00 52.86 53.63 2b89 s ASN 23 Cb -0.06 -2.50 1.05 0.00 -2.00 0.00 0.00 41.25 37.75 2b89 s ASN 23 CO 0.00 -0.75 1.80 0.28 -2.94 0.00 0.00 177.10 175.49 2b89 h SER 24 N 0.51 0.47 -0.55 3.54 0.02 -1.98 0.36 113.55 115.92 2b89 h SER 24 Ca -0.46 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 2b89 h SER 24 Cb 1.19 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2b89 h SER 24 CO 0.61 0.14 0.01 -0.07 -1.14 0.00 0.00 176.83 176.38 2b89 h LEU 25 N 0.44 0.94 -0.28 5.07 -0.00 -1.96 1.25 115.31 120.77 2b89 h LEU 25 Ca 0.55 -0.30 -0.08 0.00 -0.00 0.00 0.00 57.88 58.04 2b89 h LEU 25 Cb 1.31 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 2b89 h LEU 25 CO -0.26 1.01 -0.15 1.56 -0.00 0.00 0.00 178.44 180.60 2b89 h GLN 26 N 0.84 0.60 -0.66 1.13 1.08 -1.11 1.94 115.11 118.94 2b89 h GLN 26 Ca 0.16 -0.27 0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2b89 h GLN 26 Cb 0.52 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 2b89 h GLN 26 CO 0.03 0.85 0.35 0.28 -0.95 0.00 0.00 178.83 179.38 2b89 h VAL 27 N 0.34 0.93 -0.09 -0.54 2.07 -0.13 0.42 116.25 119.25 2b89 h VAL 27 Ca 0.06 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.19 2b89 h VAL 27 Cb 0.67 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2b89 h VAL 27 CO 0.04 0.12 -0.70 0.58 0.02 0.00 0.00 177.57 177.63 2b89 h VAL 28 N 0.63 1.37 -0.96 2.57 2.07 0.20 -2.72 116.25 119.41 2b89 h VAL 28 Ca 0.30 -2.09 0.13 0.00 0.82 0.00 0.00 66.70 65.86 2b89 h VAL 28 Cb 0.23 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 2b89 h VAL 28 CO -0.21 0.63 0.61 0.00 0.02 0.00 0.00 177.57 178.62 2b89 h ALA 29 N 0.96 1.64 -0.30 1.67 0.00 0.49 0.55 119.26 124.27 2b89 h ALA 29 Ca -0.02 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2b89 h ALA 29 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2b89 h ALA 29 CO 0.12 0.11 -0.45 0.74 0.00 0.00 0.00 179.25 179.77 2b89 h PHE 30 N 0.88 0.95 -0.87 0.00 0.04 -0.85 -0.29 116.94 116.79 2b89 h PHE 30 Ca 0.48 -0.30 0.10 0.00 2.80 0.00 0.00 57.97 61.04 2b89 h PHE 30 Cb 0.58 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 2b89 h PHE 30 CO -0.00 1.08 0.57 0.82 -0.60 0.00 0.00 178.31 180.18 2b89 h ILE 31 N 0.62 0.96 -0.49 -0.55 2.04 0.27 0.65 117.51 121.01 2b89 h ILE 31 Ca 0.04 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2b89 h ILE 31 Cb 1.02 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2b89 h ILE 31 CO 0.10 0.16 -0.04 -1.13 0.00 0.00 0.00 178.15 177.24 2b89 h ASN 32 N 0.85 0.89 -0.42 1.72 -0.73 -0.14 -2.99 115.58 114.76 2b89 h ASN 32 Ca 0.41 -0.33 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 2b89 h ASN 32 Cb 0.43 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 2b89 h ASN 32 CO -0.17 1.00 0.10 0.28 -0.37 0.00 0.00 177.43 178.27 2b89 h SER 33 N 0.76 0.70 -0.36 1.15 0.02 0.82 -0.33 113.55 116.30 2b89 h SER 33 Ca 0.14 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2b89 h SER 33 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2b89 h SER 33 CO 0.03 0.71 0.22 -0.07 -1.14 0.00 0.00 176.83 176.58 2b89 h LEU 34 N 0.72 0.37 -0.53 5.07 3.38 -0.99 0.28 115.31 123.62 2b89 h LEU 34 Ca 0.16 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2b89 h LEU 34 Cb 0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2b89 h LEU 34 CO 0.00 0.27 -0.63 0.08 0.09 0.00 0.00 178.44 178.25 2b89 h ARG 35 N 0.46 0.39 0.00 1.13 0.11 -1.45 0.55 114.38 115.56 2b89 h ARG 35 Ca 0.14 -0.28 -0.00 0.00 0.10 0.00 0.00 59.98 59.93 2b89 h ARG 35 Cb -0.03 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2b89 h ARG 35 CO -0.05 0.89 -0.02 -0.44 0.10 0.00 0.00 179.97 180.46 2b89 h ASP 36 N 0.28 0.00 -0.32 0.08 3.32 -0.59 -3.40 116.42 115.80 2b89 h ASP 36 Ca -0.01 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.20 2b89 h ASP 36 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 2b89 h ASP 36 CO 0.11 0.02 -0.10 -0.62 -1.72 0.00 0.00 179.24 176.93 2b89 s ASP 37 N -5.58 -0.50 0.32 6.45 -1.08 0.94 -5.04 116.67 112.18 2b89 s ASP 37 Ca -0.02 -0.08 0.11 0.00 -0.52 0.00 0.00 52.55 52.04 2b89 s ASP 37 Cb 0.11 1.00 0.51 0.00 -1.46 0.00 0.00 42.92 43.08 2b89 s ASP 37 CO 0.50 -0.08 1.71 -0.65 0.52 0.00 0.00 175.17 177.18 2b89 h PRO 38 N 6.53 0.01 -0.09 4.34 0.11 -0.15 -2.42 132.00 140.33 2b89 h PRO 38 Ca -0.06 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2b89 h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2b89 h PRO 38 CO -0.06 0.51 -0.08 0.77 -0.21 0.00 0.00 178.00 178.93 2b89 h SER 39 N 0.01 0.12 -0.26 -2.05 0.02 -1.95 0.80 113.55 110.25 2b89 h SER 39 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2b89 h SER 39 Cb 0.90 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2b89 h SER 39 CO 0.07 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.98 2b89 n GLN 40 N -4.37 2.04 -0.16 3.45 6.02 -0.95 -4.12 117.38 119.29 2b89 n GLN 40 Ca -0.01 -1.56 0.16 0.00 -0.01 0.00 0.00 57.00 55.57 2b89 n GLN 40 Cb 0.20 -1.44 0.52 0.00 1.02 0.00 0.00 30.24 30.54 2b89 n GLN 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2b89 h SER 41 N 3.10 0.36 -0.52 1.08 4.64 -0.45 0.42 113.55 122.17 2b89 h SER 41 Ca 0.00 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 2b89 h SER 41 Cb 0.68 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2b89 h SER 41 CO 0.00 0.18 -0.10 0.00 -0.87 0.00 0.00 176.83 176.05 2b89 h ALA 42 N 1.65 0.71 -0.09 5.18 0.00 -1.74 -2.96 119.26 122.01 2b89 h ALA 42 Ca 0.37 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2b89 h ALA 42 Cb 0.90 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2b89 h ALA 42 CO -0.11 0.61 -0.68 -0.91 0.00 0.00 0.00 179.25 178.16 2b89 h ASN 43 N 0.85 0.45 -0.60 0.00 2.35 -0.90 -3.19 115.58 114.54 2b89 h ASN 43 Ca 0.14 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 2b89 h ASN 43 Cb 0.66 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2b89 h ASN 43 CO 0.05 0.99 0.14 -0.07 -1.65 0.00 0.00 177.43 176.89 2b89 h LEU 44 N 0.27 0.92 -1.01 1.61 3.38 -0.21 0.86 115.31 121.12 2b89 h LEU 44 Ca -0.02 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2b89 h LEU 44 Cb 1.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2b89 h LEU 44 CO 0.11 0.92 -0.39 -0.07 0.09 0.00 0.00 178.44 179.10 2b89 h LEU 45 N 0.87 0.21 -0.53 1.67 -0.00 -1.61 1.28 115.31 117.21 2b89 h LEU 45 Ca 0.19 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2b89 h LEU 45 Cb 0.36 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 2b89 h LEU 45 CO 0.00 0.58 0.33 0.00 -0.00 0.00 0.00 178.44 179.36 2b89 h ALA 46 N 1.43 0.68 -0.09 1.53 0.00 -1.25 2.68 119.26 124.23 2b89 h ALA 46 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b89 h ALA 46 Cb 0.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2b89 h ALA 46 CO 0.06 0.15 0.01 0.93 0.00 0.00 0.00 179.25 180.40 2b89 h GLU 47 N 0.72 0.15 -0.53 0.00 5.08 0.16 -0.36 114.58 119.79 2b89 h GLU 47 Ca 0.19 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2b89 h GLU 47 Cb -0.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2b89 h GLU 47 CO -0.04 0.36 0.33 0.00 -1.00 0.00 0.00 179.01 178.66 2b89 h ALA 48 N 0.78 0.68 -0.47 3.43 0.00 0.23 1.19 119.26 125.11 2b89 h ALA 48 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2b89 h ALA 48 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2b89 h ALA 48 CO 0.00 0.06 0.20 0.87 0.00 0.00 0.00 179.25 180.39 2b89 h LYS 49 N 0.66 0.66 -0.24 0.00 1.57 0.48 1.03 116.57 120.73 2b89 h LYS 49 Ca 0.21 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2b89 h LYS 49 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2b89 h LYS 49 CO -0.08 0.53 -0.43 0.87 -0.57 0.00 0.00 179.45 179.77 2b89 h LYS 50 N 0.66 0.59 -0.45 3.15 6.56 0.84 -0.97 116.57 126.95 2b89 h LYS 50 Ca 0.16 -0.31 -0.09 0.00 -1.06 0.00 0.00 60.65 59.35 2b89 h LYS 50 Cb 0.10 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2b89 h LYS 50 CO -0.02 0.91 -0.06 -0.07 -2.06 0.00 0.00 179.45 178.15 2b89 h LEU 51 N 0.48 0.83 -0.16 2.94 -0.00 0.35 0.97 115.31 120.73 2b89 h LEU 51 Ca 0.04 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2b89 h LEU 51 Cb 0.95 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 2b89 h LEU 51 CO 0.08 0.98 0.09 -1.13 -0.00 0.00 0.00 178.44 178.46 2b89 h ASN 52 N 0.68 0.19 -0.12 -0.43 -1.24 0.12 0.88 115.58 115.65 2b89 h ASN 52 Ca 0.12 -0.05 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 2b89 h ASN 52 Cb 0.58 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2b89 h ASN 52 CO 0.04 0.18 -0.32 0.44 -1.29 0.00 0.00 177.43 176.48 2b89 h ASP 53 N 0.18 0.63 -0.07 1.15 3.32 -1.00 -1.30 116.42 119.32 2b89 h ASP 53 Ca 0.06 -0.25 -0.23 0.00 0.02 0.00 0.00 57.03 56.63 2b89 h ASP 53 Cb 0.03 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.42 2b89 h ASP 53 CO -0.01 0.90 -0.85 0.00 -1.72 0.00 0.00 179.24 177.57 2b89 h ALA 54 N 1.14 0.19 0.02 3.45 0.00 0.16 -3.37 119.26 120.85 2b89 h ALA 54 Ca 0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2b89 h ALA 54 Cb 0.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2b89 h ALA 54 CO 0.07 0.62 -0.52 1.96 0.00 0.00 0.00 179.25 181.37 2b89 h GLN 55 N 0.37 0.04 -6.81 0.00 4.20 0.72 -3.49 115.11 110.14 2b89 h GLN 55 Ca -0.09 -0.07 -0.56 0.00 0.06 0.00 0.00 58.65 57.99 2b89 h GLN 55 Cb 1.50 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2b89 h GLN 55 CO 0.17 1.03 -1.00 0.00 -0.67 0.00 0.00 178.83 178.36 2b89 n ALA 56 N -2.87 -2.63 -1.36 3.87 0.00 -0.49 -4.44 120.51 112.59 2b89 n ALA 56 Ca -0.18 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.47 2b89 n ALA 56 Cb 0.59 -2.67 -0.17 0.00 0.00 0.00 0.00 19.45 17.20 2b89 n ALA 56 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b89 n PRO 57 N -4.70 0.00 0.00 0.00 -0.01 -1.26 -5.11 135.00 123.92 2b89 n PRO 57 Ca -0.13 0.00 0.08 0.00 -0.01 0.00 0.00 63.50 63.44 2b89 n PRO 57 Cb 0.58 -1.14 0.47 0.00 -0.01 0.00 0.00 33.50 33.40 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12