#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b89 s ASP 2 N 0.00 3.18 0.98 4.52 -4.77 -1.26 -5.05 116.67 114.27 2b89 s ASP 2 Ca 0.00 0.57 -0.12 0.00 -3.30 0.00 0.00 52.55 49.70 2b89 s ASP 2 Cb 0.00 -0.84 0.18 0.00 -1.09 0.00 0.00 42.92 41.17 2b89 s ASP 2 CO 0.00 -2.72 1.08 0.20 0.70 0.00 0.00 175.17 174.44 2b89 s ASN 3 N -4.51 2.69 0.28 2.11 0.02 -1.26 -4.67 114.94 109.58 2b89 s ASN 3 Ca 0.69 1.38 -0.03 0.00 -1.02 0.00 0.00 52.86 53.88 2b89 s ASN 3 Cb -0.08 -2.06 0.38 0.00 0.02 0.00 0.00 41.25 39.51 2b89 s ASN 3 CO 0.53 -3.12 1.93 0.11 0.02 0.00 0.00 177.10 176.57 2b89 h LYS 4 N -1.88 1.17 0.64 -0.60 1.57 -1.97 0.39 116.57 115.89 2b89 h LYS 4 Ca -0.53 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.14 2b89 h LYS 4 Cb 1.31 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 33.36 2b89 h LYS 4 CO 0.55 0.78 -0.31 0.74 -0.57 0.00 0.00 179.45 180.64 2b89 h PHE 5 N 1.21 -0.80 -0.37 -1.35 -1.00 -1.98 0.41 116.94 113.06 2b89 h PHE 5 Ca 0.36 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.15 2b89 h PHE 5 Cb -0.04 0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 2b89 h PHE 5 CO -0.00 -0.49 0.19 -0.91 -1.61 0.00 0.00 178.31 175.50 2b89 h ASN 6 N -0.88 0.29 -0.56 2.17 -0.26 -1.81 1.14 115.58 115.68 2b89 h ASN 6 Ca -0.09 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2b89 h ASN 6 Cb 0.66 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.85 2b89 h ASN 6 CO 0.14 0.21 0.35 0.50 -1.06 0.00 0.00 177.43 177.58 2b89 h LYS 7 N 0.40 0.69 -0.19 0.81 1.63 -0.08 1.36 116.57 121.18 2b89 h LYS 7 Ca 0.15 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.77 2b89 h LYS 7 Cb 0.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2b89 h LYS 7 CO -0.10 0.45 -0.49 1.49 -3.45 0.00 0.00 179.45 177.36 2b89 h GLU 8 N 0.71 0.51 -0.10 1.90 4.57 0.38 -3.00 114.58 119.54 2b89 h GLU 8 Ca 0.22 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 2b89 h GLU 8 Cb -0.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2b89 h GLU 8 CO -0.08 0.88 -0.54 0.00 -1.18 0.00 0.00 179.01 178.10 2b89 h ARG 9 N 0.40 0.29 -0.16 1.92 3.08 0.23 -1.47 114.38 118.68 2b89 h ARG 9 Ca 0.02 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2b89 h ARG 9 Cb 1.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2b89 h ARG 9 CO 0.09 0.76 0.09 0.28 -1.07 0.00 0.00 179.97 180.12 2b89 h VAL 10 N 0.23 1.09 -0.05 2.04 2.07 0.19 2.24 116.25 124.07 2b89 h VAL 10 Ca 0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2b89 h VAL 10 Cb 1.02 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2b89 h VAL 10 CO 0.09 0.08 0.03 0.40 0.02 0.00 0.00 177.57 178.18 2b89 h ILE 11 N 0.17 1.07 -0.05 4.57 2.04 -1.52 0.29 117.51 124.09 2b89 h ILE 11 Ca 0.06 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 2b89 h ILE 11 Cb 0.05 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2b89 h ILE 11 CO -0.01 0.06 -0.15 0.00 0.00 0.00 0.00 178.15 178.05 2b89 h ALA 12 N 0.94 0.08 -0.78 1.87 0.00 -0.95 -0.41 119.26 120.01 2b89 h ALA 12 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2b89 h ALA 12 Cb 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2b89 h ALA 12 CO -0.00 0.00 0.46 0.97 0.00 0.00 0.00 179.25 180.68 2b89 h ILE 13 N -0.35 1.22 -0.57 0.00 2.10 0.37 0.71 117.51 120.99 2b89 h ILE 13 Ca -0.01 -0.49 -0.09 0.00 1.08 0.00 0.00 64.86 65.36 2b89 h ILE 13 Cb 0.77 0.13 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2b89 h ILE 13 CO 0.03 0.23 0.01 1.23 -1.08 0.00 0.00 178.15 178.58 2b89 h GLY 14 N 1.10 1.05 0.79 8.18 0.00 -0.92 1.13 103.07 114.40 2b89 h GLY 14 Ca 0.28 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2b89 h GLY 14 CO -0.05 0.68 -0.11 0.83 0.00 0.00 0.00 176.54 177.89 2b89 h GLU 15 N 0.90 0.39 -0.30 4.80 4.39 0.72 -2.78 114.58 122.71 2b89 h GLU 15 Ca 0.17 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 2b89 h GLU 15 Cb 0.51 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2b89 h GLU 15 CO 0.02 0.71 -0.46 0.82 -1.16 0.00 0.00 179.01 178.95 2b89 h ILE 16 N 0.07 1.28 0.00 3.13 2.04 0.58 -3.04 117.51 121.58 2b89 h ILE 16 Ca 0.04 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 2b89 h ILE 16 Cb 0.60 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2b89 h ILE 16 CO 0.03 0.53 -0.11 0.24 0.00 0.00 0.00 178.15 178.84 2b89 h MET 17 N 0.61 0.00 -0.19 2.37 2.86 0.13 -2.03 114.93 118.67 2b89 h MET 17 Ca 0.03 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 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 0.11 0.11 -0.42 -0.09 1.06 0.00 0.00 176.91 177.68 2b89 h ARG 18 N 0.00 0.45 -5.76 1.72 2.43 -1.37 -3.44 114.38 108.41 2b89 h ARG 18 Ca -0.00 -0.23 -0.60 0.00 -0.81 0.00 0.00 59.98 58.34 2b89 h ARG 18 Cb 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2b89 h ARG 18 CO 0.01 0.80 1.52 1.28 -1.51 0.00 0.00 179.97 182.07 2b89 n LEU 19 N -4.02 1.91 -0.04 3.80 4.77 -0.76 -4.82 117.00 117.84 2b89 n LEU 19 Ca -0.02 0.19 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 2b89 n LEU 19 Cb 0.51 -1.28 0.68 0.00 -2.33 0.00 0.00 43.42 41.00 2b89 n LEU 19 CO 0.44 -0.90 0.94 -0.81 -1.33 0.00 0.00 177.39 175.73 2b89 n PRO 20 N 8.42 0.49 -0.98 3.23 -0.05 -1.26 -3.71 135.00 141.14 2b89 n PRO 20 Ca 0.44 -0.09 -0.04 0.00 -0.05 0.00 0.00 63.50 63.76 2b89 n PRO 20 Cb 0.27 -1.50 0.31 0.00 -0.05 0.00 0.00 33.50 32.53 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 -1.18 4.80 -4.14 3.54 3.02 -1.26 -4.85 115.26 115.19 2b89 n ASN 21 Ca 0.14 -3.21 -0.16 0.00 -0.03 0.00 0.00 54.58 51.31 2b89 n ASN 21 Cb 0.26 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 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 -2.98 2.30 0.48 3.41 1.43 -1.24 -4.17 118.68 117.91 2b89 s LEU 22 Ca 0.54 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2b89 s LEU 22 Cb 0.43 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 2b89 s LEU 22 CO 0.13 -0.15 0.79 0.54 0.23 0.00 0.00 176.35 177.89 2b89 s ASN 23 N -1.84 6.25 0.41 2.29 2.20 -1.26 -4.79 114.94 118.20 2b89 s ASN 23 Ca -0.03 0.93 0.18 0.00 -0.94 0.00 0.00 52.86 53.00 2b89 s ASN 23 Cb -0.09 -2.24 1.08 0.00 -2.00 0.00 0.00 41.25 38.01 2b89 s ASN 23 CO 0.01 -0.59 1.81 0.77 -2.94 0.00 0.00 177.10 176.17 2b89 h SER 24 N 0.22 0.44 -0.11 3.54 4.64 -1.97 0.30 113.55 120.60 2b89 h SER 24 Ca -0.47 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2b89 h SER 24 Cb 1.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2b89 h SER 24 CO 0.62 0.14 0.06 -0.07 -0.87 0.00 0.00 176.83 176.70 2b89 h LEU 25 N 0.42 0.15 -0.43 5.97 4.07 -1.96 1.47 115.31 124.98 2b89 h LEU 25 Ca 0.53 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.33 2b89 h LEU 25 Cb 1.32 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 2b89 h LEU 25 CO -0.23 0.21 0.05 1.56 -1.08 0.00 0.00 178.44 178.94 2b89 h GLN 26 N 0.07 0.73 -0.65 1.13 4.20 -1.44 2.36 115.11 121.51 2b89 h GLN 26 Ca 0.04 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.59 2b89 h GLN 26 Cb 0.10 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2b89 h GLN 26 CO -0.01 0.78 0.37 0.28 -0.67 0.00 0.00 178.83 179.58 2b89 h VAL 27 N 0.58 0.99 -0.09 -0.54 2.07 -0.17 -0.39 116.25 118.70 2b89 h VAL 27 Ca 0.13 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 2b89 h VAL 27 Cb 0.42 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2b89 h VAL 27 CO 0.01 0.13 -0.71 0.58 0.02 0.00 0.00 177.57 177.60 2b89 h VAL 28 N 0.69 1.37 -0.96 2.57 2.07 0.26 -2.73 116.25 119.52 2b89 h VAL 28 Ca 0.28 -2.10 0.13 0.00 0.82 0.00 0.00 66.70 65.83 2b89 h VAL 28 Cb 0.14 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 2b89 h VAL 28 CO -0.16 0.63 0.61 0.00 0.02 0.00 0.00 177.57 178.67 2b89 h ALA 29 N 0.94 1.64 -0.32 1.67 0.00 0.53 0.59 119.26 124.31 2b89 h ALA 29 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2b89 h ALA 29 Cb 1.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2b89 h ALA 29 CO 0.12 0.11 -0.42 0.74 0.00 0.00 0.00 179.25 179.80 2b89 h PHE 30 N 0.87 1.05 -1.00 0.00 0.04 -1.00 0.16 116.94 117.06 2b89 h PHE 30 Ca 0.48 -0.34 0.10 0.00 2.80 0.00 0.00 57.97 61.02 2b89 h PHE 30 Cb 0.59 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 38.45 2b89 h PHE 30 CO -0.00 1.15 0.64 0.82 -0.60 0.00 0.00 178.31 180.31 2b89 h ILE 31 N 0.64 0.97 -0.39 -0.55 2.04 0.26 0.35 117.51 120.83 2b89 h ILE 31 Ca 0.04 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 2b89 h ILE 31 Cb 1.02 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2b89 h ILE 31 CO 0.10 0.19 -0.08 0.78 0.00 0.00 0.00 178.15 179.14 2b89 h ASN 32 N 1.05 0.75 -0.28 1.72 -0.26 0.11 -3.02 115.58 115.65 2b89 h ASN 32 Ca 0.48 -0.36 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 2b89 h ASN 32 Cb 0.39 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 2b89 h ASN 32 CO -0.24 0.94 -0.01 0.28 -1.06 0.00 0.00 177.43 177.34 2b89 h SER 33 N 0.56 0.59 -0.47 5.81 0.02 0.79 -1.82 113.55 119.04 2b89 h SER 33 Ca 0.10 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2b89 h SER 33 Cb 0.60 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 2b89 h SER 33 CO 0.04 0.67 0.21 -0.07 -1.14 0.00 0.00 176.83 176.53 2b89 h LEU 34 N 0.59 0.28 -0.57 5.07 3.38 -0.87 0.49 115.31 123.68 2b89 h LEU 34 Ca 0.12 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2b89 h LEU 34 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2b89 h LEU 34 CO 0.02 0.20 -0.61 0.08 0.09 0.00 0.00 178.44 178.21 2b89 h ARG 35 N 0.42 0.37 0.00 1.13 0.11 -1.50 0.80 114.38 115.71 2b89 h ARG 35 Ca 0.21 -0.25 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2b89 h ARG 35 Cb 0.16 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 2b89 h ARG 35 CO -0.17 0.86 -0.04 -0.44 0.10 0.00 0.00 179.97 180.28 2b89 h ASP 36 N 0.27 0.00 -0.43 0.08 3.32 -0.51 -3.39 116.42 115.75 2b89 h ASP 36 Ca -0.01 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.13 2b89 h ASP 36 Cb 1.13 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 2b89 h ASP 36 CO 0.10 0.04 -0.19 -0.62 -1.72 0.00 0.00 179.24 176.84 2b89 s ASP 37 N -5.68 -0.68 0.29 6.45 -1.08 0.17 -5.04 116.67 111.10 2b89 s ASP 37 Ca -0.01 -0.28 0.06 0.00 -0.52 0.00 0.00 52.55 51.80 2b89 s ASP 37 Cb 0.10 0.94 0.44 0.00 -1.46 0.00 0.00 42.92 42.94 2b89 s ASP 37 CO 0.53 -0.08 1.70 -0.65 0.52 0.00 0.00 175.17 177.18 2b89 h PRO 38 N 6.08 0.26 -0.03 4.34 0.11 0.38 -2.16 132.00 140.99 2b89 h PRO 38 Ca -0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 2b89 h PRO 38 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2b89 h PRO 38 CO -0.03 0.63 -0.10 1.03 -0.21 0.00 0.00 178.00 179.33 2b89 h SER 39 N 0.22 0.04 -0.66 -2.05 0.87 -1.95 0.85 113.55 110.86 2b89 h SER 39 Ca 0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2b89 h SER 39 Cb 0.81 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2b89 h SER 39 CO 0.06 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2b89 n GLN 40 N -4.40 2.94 -0.27 2.24 1.13 -0.89 -4.33 117.38 113.79 2b89 n GLN 40 Ca -0.02 -2.55 0.03 0.00 -1.94 0.00 0.00 57.00 52.52 2b89 n GLN 40 Cb 0.19 -1.65 0.17 0.00 0.11 0.00 0.00 30.24 29.06 2b89 n GLN 40 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2b89 h SER 41 N 3.97 0.54 -0.54 1.08 4.64 -0.21 0.70 113.55 123.73 2b89 h SER 41 Ca 0.00 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2b89 h SER 41 Cb 1.08 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 2b89 h SER 41 CO 0.08 0.29 0.21 0.00 -0.87 0.00 0.00 176.83 176.54 2b89 h ALA 42 N 1.47 1.27 -0.19 5.18 0.00 -1.76 0.81 119.26 126.04 2b89 h ALA 42 Ca 0.39 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2b89 h ALA 42 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2b89 h ALA 42 CO -0.28 0.53 -0.53 -0.97 0.00 0.00 0.00 179.25 178.00 2b89 h ASN 43 N 0.84 0.59 -0.06 0.00 -0.73 -0.83 1.03 115.58 116.42 2b89 h ASN 43 Ca 0.20 -0.31 -0.06 0.00 1.87 0.00 0.00 56.30 58.00 2b89 h ASN 43 Cb 0.20 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.63 2b89 h ASN 43 CO -0.01 1.01 -0.19 -0.07 -0.37 0.00 0.00 177.43 177.80 2b89 h LEU 44 N 0.42 0.28 -1.11 0.34 3.38 0.74 1.00 115.31 120.36 2b89 h LEU 44 Ca 0.01 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 2b89 h LEU 44 Cb 1.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2b89 h LEU 44 CO 0.10 0.83 -0.26 0.17 0.09 0.00 0.00 178.44 179.37 2b89 h LEU 45 N -0.27 0.30 -0.47 1.67 8.10 0.67 1.55 115.31 126.87 2b89 h LEU 45 Ca -0.01 -0.09 -0.06 0.00 0.11 0.00 0.00 57.88 57.83 2b89 h LEU 45 Cb 0.81 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.93 2b89 h LEU 45 CO 0.04 0.57 0.08 0.00 -4.11 0.00 0.00 178.44 175.02 2b89 h ALA 46 N 1.46 0.62 -0.50 0.17 0.00 0.14 0.36 119.26 121.51 2b89 h ALA 46 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2b89 h ALA 46 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2b89 h ALA 46 CO 0.04 0.35 0.05 0.93 0.00 0.00 0.00 179.25 180.63 2b89 h GLU 47 N 0.65 0.85 -0.55 0.00 4.39 0.24 0.59 114.58 120.74 2b89 h GLU 47 Ca 0.14 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.64 2b89 h GLU 47 Cb 0.39 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2b89 h GLU 47 CO 0.01 0.86 0.31 0.00 -1.16 0.00 0.00 179.01 179.03 2b89 h ALA 48 N 0.96 0.72 -0.37 3.43 0.00 0.27 2.50 119.26 126.76 2b89 h ALA 48 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2b89 h ALA 48 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2b89 h ALA 48 CO 0.02 0.01 -0.05 0.87 0.00 0.00 0.00 179.25 180.09 2b89 h LYS 49 N 0.61 0.61 -0.24 0.00 1.57 0.03 1.01 116.57 120.16 2b89 h LYS 49 Ca 0.23 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2b89 h LYS 49 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2b89 h LYS 49 CO -0.13 0.66 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.77 2b89 h LYS 50 N 0.57 0.59 -0.21 3.15 3.64 0.15 0.79 116.57 125.24 2b89 h LYS 50 Ca 0.11 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 2b89 h LYS 50 Cb 0.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2b89 h LYS 50 CO 0.02 0.91 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.95 2b89 h LEU 51 N 0.48 0.44 -0.21 5.20 -0.00 0.53 0.64 115.31 122.40 2b89 h LEU 51 Ca 0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2b89 h LEU 51 Cb 0.94 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 2b89 h LEU 51 CO 0.08 0.75 0.13 -1.13 -0.00 0.00 0.00 178.44 178.28 2b89 h ASN 52 N 0.14 0.24 0.09 -0.43 -0.73 0.12 0.36 115.58 115.36 2b89 h ASN 52 Ca 0.05 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.07 2b89 h ASN 52 Cb 0.58 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 2b89 h ASN 52 CO 0.03 0.19 -0.42 -0.78 -0.37 0.00 0.00 177.43 176.08 2b89 h ASP 53 N 0.27 0.44 -0.12 1.15 3.58 -0.77 -1.84 116.42 119.14 2b89 h ASP 53 Ca 0.08 -0.20 -0.21 0.00 0.42 0.00 0.00 57.03 57.12 2b89 h ASP 53 Cb -0.02 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 40.92 2b89 h ASP 53 CO -0.02 0.81 -0.75 0.00 -2.88 0.00 0.00 179.24 176.41 2b89 h ALA 54 N 1.21 0.25 0.04 -0.78 0.00 0.94 -3.37 119.26 117.54 2b89 h ALA 54 Ca 0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2b89 h ALA 54 Cb 0.88 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2b89 h ALA 54 CO 0.07 0.61 -0.96 1.96 0.00 0.00 0.00 179.25 180.93 2b89 h GLN 55 N 0.42 0.07 -6.77 0.00 4.20 -0.36 -3.49 115.11 109.19 2b89 h GLN 55 Ca -0.06 -0.13 -0.55 0.00 0.06 0.00 0.00 58.65 57.98 2b89 h GLN 55 Cb 1.39 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2b89 h GLN 55 CO 0.15 1.06 -1.00 0.00 -0.67 0.00 0.00 178.83 178.38 2b89 n ALA 56 N -3.06 -2.63 -1.09 3.87 0.00 -0.69 -4.43 120.51 112.47 2b89 n ALA 56 Ca -0.24 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.36 2b89 n ALA 56 Cb 0.69 -2.57 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 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 -4.50 0.00 0.00 0.00 -0.01 -1.26 -5.10 135.00 124.13 2b89 n PRO 57 Ca -0.14 0.00 0.15 0.00 -0.01 0.00 0.00 63.50 63.50 2b89 n PRO 57 Cb 0.59 -1.16 0.76 0.00 -0.01 0.00 0.00 33.50 33.68 2b89 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12