#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 s ASP 2 N 0.00 5.67 1.04 -1.34 1.01 -1.26 -5.06 116.67 116.73 2b87 s ASP 2 Ca 0.00 -0.14 -0.12 0.00 0.71 0.00 0.00 52.55 53.00 2b87 s ASP 2 Cb 0.00 -1.51 0.21 0.00 1.01 0.00 0.00 42.92 42.64 2b87 s ASP 2 CO 0.00 0.00 1.08 0.21 0.21 0.00 0.00 175.17 176.67 2b87 s ASN 3 N -3.54 2.03 0.06 0.27 2.47 -1.26 -4.85 114.94 110.12 2b87 s ASN 3 Ca 0.32 1.71 0.06 0.00 0.42 0.00 0.00 52.86 55.38 2b87 s ASN 3 Cb -0.09 -2.35 0.31 0.00 -1.45 0.00 0.00 41.25 37.66 2b87 s ASN 3 CO 0.25 -3.58 1.19 2.29 -3.72 0.00 0.00 177.10 173.53 2b87 n LYS 4 N -4.52 0.03 0.00 0.43 2.85 -1.26 -1.85 118.16 113.84 2b87 n LYS 4 Ca 0.06 0.48 0.00 0.00 -1.05 0.00 0.00 58.31 57.81 2b87 n LYS 4 Cb 0.54 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 2b87 n LYS 4 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2b87 n PHE 5 N -1.65 0.00 -0.15 5.58 3.01 -1.26 -3.97 117.46 119.02 2b87 n PHE 5 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2b87 n PHE 5 Cb 0.04 -0.06 0.04 0.00 -0.01 0.00 0.00 39.48 39.48 2b87 n PHE 5 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2b87 h ASN 6 N 0.10 0.31 -0.60 4.37 -1.24 -1.67 2.43 115.58 119.29 2b87 h ASN 6 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2b87 h ASN 6 Cb 0.31 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 2b87 h ASN 6 CO 0.00 0.22 0.33 0.50 -1.29 0.00 0.00 177.43 177.19 2b87 h LYS 7 N 0.44 0.83 -0.22 6.67 3.64 -1.88 -0.25 116.57 125.80 2b87 h LYS 7 Ca 0.20 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2b87 h LYS 7 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2b87 h LYS 7 CO -0.15 0.63 -0.20 0.93 -2.27 0.00 0.00 179.45 178.40 2b87 h GLU 8 N 0.81 0.39 -0.47 1.90 3.07 -1.44 -2.84 114.58 115.99 2b87 h GLU 8 Ca 0.21 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 2b87 h GLU 8 Cb 0.04 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2b87 h GLU 8 CO -0.03 0.57 -0.15 -0.09 -1.40 0.00 0.00 179.01 177.91 2b87 h ARG 9 N 0.35 0.94 -1.00 2.33 2.43 0.49 -2.08 114.38 117.85 2b87 h ARG 9 Ca 0.06 -0.38 0.05 0.00 -0.81 0.00 0.00 59.98 58.90 2b87 h ARG 9 Cb 0.55 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 2b87 h ARG 9 CO 0.04 1.04 0.65 0.28 -1.51 0.00 0.00 179.97 180.46 2b87 h VAL 10 N 0.78 1.14 -0.34 0.20 2.07 -0.83 0.18 116.25 119.45 2b87 h VAL 10 Ca 0.11 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 2b87 h VAL 10 Cb 0.71 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2b87 h VAL 10 CO 0.05 0.22 -0.40 0.40 0.02 0.00 0.00 177.57 177.87 2b87 h ILE 11 N 1.23 1.28 -0.41 4.57 2.04 -1.43 -0.98 117.51 123.82 2b87 h ILE 11 Ca 0.41 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2b87 h ILE 11 Cb 0.06 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2b87 h ILE 11 CO -0.14 0.52 0.21 0.00 0.00 0.00 0.00 178.15 178.73 2b87 h ALA 12 N 0.87 0.52 -0.29 1.87 0.00 -0.54 0.66 119.26 122.35 2b87 h ALA 12 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2b87 h ALA 12 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2b87 h ALA 12 CO 0.09 0.07 0.09 0.82 0.00 0.00 0.00 179.25 180.32 2b87 h ILE 13 N 0.52 0.91 -0.89 0.00 2.04 -0.59 0.44 117.51 119.93 2b87 h ILE 13 Ca 0.14 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2b87 h ILE 13 Cb 0.09 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2b87 h ILE 13 CO -0.02 0.04 0.57 1.23 0.00 0.00 0.00 178.15 179.97 2b87 h GLY 14 N 0.22 1.28 0.90 5.37 0.00 -0.28 0.51 103.07 111.08 2b87 h GLY 14 Ca 0.13 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2b87 h GLY 14 CO -0.14 0.21 -0.12 -2.09 0.00 0.00 0.00 176.54 174.39 2b87 h GLU 15 N 0.89 0.60 -0.07 4.80 4.81 0.28 0.54 114.58 126.43 2b87 h GLU 15 Ca 0.41 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2b87 h GLU 15 Cb 0.39 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2b87 h GLU 15 CO -0.17 0.82 -0.05 0.82 -0.73 0.00 0.00 179.01 179.71 2b87 h ILE 16 N 0.36 0.86 -0.59 2.32 1.08 0.11 -1.52 117.51 120.13 2b87 h ILE 16 Ca 0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2b87 h ILE 16 Cb 0.63 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 2b87 h ILE 16 CO 0.04 0.00 0.39 0.24 -0.69 0.00 0.00 178.15 178.13 2b87 h MET 17 N -0.05 0.58 -0.57 2.37 2.86 -0.83 -1.33 114.93 117.96 2b87 h MET 17 Ca 0.05 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 2b87 h MET 17 Cb 0.11 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2b87 h MET 17 CO -0.10 0.39 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 2b87 h ARG 18 N 0.60 1.03 -5.94 1.72 -0.00 -0.04 -3.42 114.38 108.33 2b87 h ARG 18 Ca 0.25 -0.34 -0.60 0.00 -0.50 0.00 0.00 59.98 58.79 2b87 h ARG 18 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 2b87 h ARG 18 CO -0.07 1.03 1.49 1.28 0.00 0.00 0.00 179.97 183.70 2b87 n LEU 19 N -4.17 2.89 0.09 3.04 4.77 -0.50 -4.84 117.00 118.29 2b87 n LEU 19 Ca 0.02 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 2b87 n LEU 19 Cb 0.37 -1.49 0.41 0.00 -2.33 0.00 0.00 43.42 40.38 2b87 n LEU 19 CO 0.44 -0.78 0.86 -0.81 -1.33 0.00 0.00 177.39 175.78 2b87 n PRO 20 N 8.66 0.24 0.12 3.23 -0.05 -1.26 -3.54 135.00 142.39 2b87 n PRO 20 Ca 0.34 0.19 0.08 0.00 -0.05 0.00 0.00 63.50 64.05 2b87 n PRO 20 Cb 0.40 -1.77 0.02 0.00 -0.05 0.00 0.00 33.50 32.11 2b87 n PRO 20 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2b87 h ASN 21 N 0.00 0.00 -4.00 3.54 2.35 -1.88 -3.47 115.58 112.12 2b87 h ASN 21 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2b87 h ASN 21 Cb 0.71 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.16 2b87 h ASN 21 CO 0.00 0.18 0.51 -0.76 -1.65 0.00 0.00 177.43 175.71 2b87 s LEU 22 N -5.75 4.02 0.61 1.61 1.43 -1.23 -4.82 118.68 114.54 2b87 s LEU 22 Ca 0.01 2.38 -0.15 0.00 -1.03 0.00 0.00 54.13 55.34 2b87 s LEU 22 Cb 0.08 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 2b87 s LEU 22 CO 0.76 -0.98 1.07 0.21 0.23 0.00 0.00 176.35 177.64 2b87 s ASN 23 N -1.26 5.68 0.19 2.29 2.47 -1.26 -4.82 114.94 118.23 2b87 s ASN 23 Ca 0.64 1.84 -0.12 0.00 0.42 0.00 0.00 52.86 55.64 2b87 s ASN 23 Cb -0.31 -2.53 0.14 0.00 -1.45 0.00 0.00 41.25 37.10 2b87 s ASN 23 CO 0.37 -1.24 1.84 0.77 -3.72 0.00 0.00 177.10 175.12 2b87 h SER 24 N 0.35 0.63 0.26 -4.21 4.64 -1.98 0.32 113.55 113.56 2b87 h SER 24 Ca -0.47 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 2b87 h SER 24 Cb 1.22 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2b87 h SER 24 CO 0.57 0.44 -0.53 -0.07 -0.87 0.00 0.00 176.83 176.37 2b87 h LEU 25 N 0.75 0.32 -0.70 5.97 3.38 -1.98 -1.34 115.31 121.72 2b87 h LEU 25 Ca 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2b87 h LEU 25 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2b87 h LEU 25 CO -0.09 0.79 0.21 1.56 0.09 0.00 0.00 178.44 181.00 2b87 h GLN 26 N 0.23 1.09 -0.42 1.13 4.20 -1.57 0.65 115.11 120.41 2b87 h GLN 26 Ca 0.01 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 2b87 h GLN 26 Cb 1.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2b87 h GLN 26 CO 0.08 0.94 0.12 0.28 -0.67 0.00 0.00 178.83 179.59 2b87 h VAL 27 N 1.03 1.22 -0.33 -0.54 2.07 -0.20 0.09 116.25 119.58 2b87 h VAL 27 Ca 0.22 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2b87 h VAL 27 Cb 0.32 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2b87 h VAL 27 CO -0.01 0.26 0.09 0.58 0.02 0.00 0.00 177.57 178.52 2b87 h VAL 28 N 0.55 1.15 -0.54 2.57 2.07 -0.74 0.26 116.25 121.57 2b87 h VAL 28 Ca 0.14 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2b87 h VAL 28 Cb 0.28 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2b87 h VAL 28 CO -0.00 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.13 2b87 h ALA 29 N 1.63 0.68 -0.11 1.67 0.00 0.21 0.64 119.26 123.97 2b87 h ALA 29 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2b87 h ALA 29 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b87 h ALA 29 CO -0.01 0.10 -0.35 0.74 0.00 0.00 0.00 179.25 179.73 2b87 h PHE 30 N 0.70 0.57 -0.21 0.00 0.04 -0.20 -1.93 116.94 115.91 2b87 h PHE 30 Ca 0.20 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.76 2b87 h PHE 30 Cb -0.06 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2b87 h PHE 30 CO -0.04 0.96 0.07 0.82 -0.60 0.00 0.00 178.31 179.52 2b87 h ILE 31 N 0.02 0.94 0.00 -0.55 2.04 -0.20 -0.39 117.51 119.37 2b87 h ILE 31 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2b87 h ILE 31 Cb 0.97 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2b87 h ILE 31 CO 0.07 0.03 -0.02 -1.13 0.00 0.00 0.00 178.15 177.11 2b87 h ASN 32 N 0.17 0.00 0.90 1.72 -1.24 0.24 -0.49 115.58 116.88 2b87 h ASN 32 Ca 0.09 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.94 2b87 h ASN 32 Cb 0.06 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2b87 h ASN 32 CO -0.10 0.02 -0.76 0.28 -1.29 0.00 0.00 177.43 175.59 2b87 h SER 33 N 0.00 0.00 -0.64 1.15 0.02 -0.32 0.11 113.55 113.87 2b87 h SER 33 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2b87 h SER 33 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2b87 h SER 33 CO 0.00 0.76 0.22 -0.07 -1.14 0.00 0.00 176.83 176.60 2b87 h LEU 34 N 0.00 0.91 -0.37 5.07 3.38 0.43 1.23 115.31 125.97 2b87 h LEU 34 Ca -0.01 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2b87 h LEU 34 Cb 1.41 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2b87 h LEU 34 CO 0.10 0.86 0.15 0.03 0.09 0.00 0.00 178.44 179.68 2b87 h ARG 35 N 0.91 0.31 -0.65 1.13 3.08 -1.05 0.60 114.38 118.71 2b87 h ARG 35 Ca 0.21 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 2b87 h ARG 35 Cb 0.26 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2b87 h ARG 35 CO -0.01 0.21 0.14 -0.44 -1.07 0.00 0.00 179.97 178.79 2b87 h ASP 36 N 0.32 0.99 -1.70 7.04 3.32 0.03 -3.40 116.42 123.04 2b87 h ASP 36 Ca 0.16 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 2b87 h ASP 36 Cb 0.11 -0.26 -0.28 0.00 0.22 0.00 0.00 39.33 39.12 2b87 h ASP 36 CO -0.14 0.97 -0.62 -1.81 -1.72 0.00 0.00 179.24 175.92 2b87 s ASP 37 N -6.51 0.44 0.49 6.45 1.01 0.41 -4.99 116.67 113.96 2b87 s ASP 37 Ca -0.11 -1.32 0.27 0.00 0.71 0.00 0.00 52.55 52.10 2b87 s ASP 37 Cb 0.15 0.95 1.17 0.00 1.01 0.00 0.00 42.92 46.19 2b87 s ASP 37 CO 0.84 -0.24 1.93 -0.65 0.21 0.00 0.00 175.17 177.25 2b87 h PRO 38 N 7.10 0.00 -0.50 8.23 0.11 -0.01 -1.67 132.00 145.26 2b87 h PRO 38 Ca 0.04 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2b87 h PRO 38 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2b87 h PRO 38 CO 0.18 0.16 -0.09 1.03 -0.21 0.00 0.00 178.00 179.07 2b87 h SER 39 N 0.00 0.95 -0.77 -2.05 0.87 -1.91 -2.53 113.55 108.11 2b87 h SER 39 Ca -0.00 -0.35 -0.25 0.00 -1.23 0.00 0.00 61.79 59.96 2b87 h SER 39 Cb 0.59 -0.26 -0.15 0.00 -0.44 0.00 0.00 62.40 62.14 2b87 h SER 39 CO 0.02 1.07 0.31 0.00 -0.53 0.00 0.00 176.83 177.70 2b87 n GLN 40 N -4.22 3.59 -0.07 2.24 1.13 -0.99 -4.47 117.38 114.58 2b87 n GLN 40 Ca 0.01 -3.09 0.18 0.00 -1.94 0.00 0.00 57.00 52.15 2b87 n GLN 40 Cb 0.38 -2.22 0.61 0.00 0.11 0.00 0.00 30.24 29.12 2b87 n GLN 40 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2b87 h SER 41 N 2.51 0.18 0.91 1.08 0.87 -0.86 0.76 113.55 119.00 2b87 h SER 41 Ca 0.30 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2b87 h SER 41 Cb 2.39 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.32 2b87 h SER 41 CO 0.78 0.09 -0.44 0.00 -0.53 0.00 0.00 176.83 176.74 2b87 h ALA 42 N 1.70 0.93 0.16 6.23 0.00 -1.82 -2.05 119.26 124.41 2b87 h ALA 42 Ca 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2b87 h ALA 42 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2b87 h ALA 42 CO -0.05 0.55 -0.08 -0.97 0.00 0.00 0.00 179.25 178.70 2b87 h ASN 43 N 0.00 -0.18 0.96 0.00 -0.73 0.22 0.41 115.58 116.25 2b87 h ASN 43 Ca -0.00 -0.34 -0.10 0.00 1.87 0.00 0.00 56.30 57.72 2b87 h ASN 43 Cb 1.01 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.63 2b87 h ASN 43 CO 0.06 0.30 -0.49 0.17 -0.37 0.00 0.00 177.43 177.10 2b87 h LEU 44 N -0.72 0.00 -1.07 0.34 -0.00 -1.57 0.12 115.31 112.40 2b87 h LEU 44 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 2b87 h LEU 44 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 2b87 h LEU 44 CO 0.04 0.49 0.11 0.25 -0.00 0.00 0.00 178.44 179.32 2b87 h LEU 45 N 0.00 0.72 -0.52 0.17 5.85 -1.33 1.03 115.31 121.22 2b87 h LEU 45 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2b87 h LEU 45 Cb 1.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2b87 h LEU 45 CO 0.06 0.72 0.27 0.00 -0.34 0.00 0.00 178.44 179.15 2b87 h ALA 46 N 1.38 0.67 -0.33 1.25 0.00 0.14 0.43 119.26 122.80 2b87 h ALA 46 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2b87 h ALA 46 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2b87 h ALA 46 CO 0.00 0.21 0.12 0.93 0.00 0.00 0.00 179.25 180.51 2b87 h GLU 47 N 0.69 0.46 -0.03 0.00 4.39 0.16 -0.07 114.58 120.18 2b87 h GLU 47 Ca 0.18 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2b87 h GLU 47 Cb 0.08 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2b87 h GLU 47 CO -0.03 0.39 -0.06 0.00 -1.16 0.00 0.00 179.01 178.15 2b87 h ALA 48 N 1.68 0.05 -0.45 3.43 0.00 0.29 0.73 119.26 124.99 2b87 h ALA 48 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2b87 h ALA 48 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2b87 h ALA 48 CO -0.01 -0.11 0.19 0.87 0.00 0.00 0.00 179.25 180.19 2b87 h LYS 49 N -0.44 0.63 -0.27 0.00 1.57 -0.03 0.73 116.57 118.77 2b87 h LYS 49 Ca 0.00 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 2b87 h LYS 49 Cb 0.65 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2b87 h LYS 49 CO 0.01 0.52 -0.55 0.87 -0.57 0.00 0.00 179.45 179.73 2b87 h LYS 50 N 0.63 0.80 -0.41 3.15 1.57 -0.91 0.33 116.57 121.72 2b87 h LYS 50 Ca 0.16 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.31 2b87 h LYS 50 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2b87 h LYS 50 CO -0.02 1.13 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.72 2b87 h LEU 51 N 0.61 0.89 -0.99 2.94 -0.00 0.20 1.24 115.31 120.20 2b87 h LEU 51 Ca 0.01 -0.41 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 2b87 h LEU 51 Cb 1.14 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.51 2b87 h LEU 51 CO 0.12 1.10 0.51 -1.13 -0.00 0.00 0.00 178.44 179.04 2b87 h ASN 52 N 0.68 1.08 -0.18 -0.43 -1.24 0.44 0.47 115.58 116.41 2b87 h ASN 52 Ca 0.09 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.92 2b87 h ASN 52 Cb 0.77 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 2b87 h ASN 52 CO 0.06 0.85 -0.21 -0.78 -1.29 0.00 0.00 177.43 176.06 2b87 h ASP 53 N 1.23 0.62 -0.54 1.15 3.58 -0.14 0.36 116.42 122.68 2b87 h ASP 53 Ca 0.31 -0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 2b87 h ASP 53 Cb -0.01 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2b87 h ASP 53 CO -0.05 0.83 0.01 0.00 -2.88 0.00 0.00 179.24 177.14 2b87 h ALA 54 N 1.22 0.94 -0.01 -0.78 0.00 0.40 -2.61 119.26 118.42 2b87 h ALA 54 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2b87 h ALA 54 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2b87 h ALA 54 CO 0.05 0.64 -0.23 1.04 0.00 0.00 0.00 179.25 180.74 2b87 n GLN 55 N -4.19 1.11 -1.03 0.00 6.02 0.14 -4.94 117.38 114.48 2b87 n GLN 55 Ca 0.03 -0.72 -0.30 0.00 -0.01 0.00 0.00 57.00 56.00 2b87 n GLN 55 Cb 0.33 -1.49 0.15 0.00 1.02 0.00 0.00 30.24 30.25 2b87 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b87 s ALA 56 N -2.39 1.35 0.95 -1.58 0.00 0.12 -4.95 121.76 115.27 2b87 s ALA 56 Ca 0.26 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.21 2b87 s ALA 56 Cb 0.19 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.21 2b87 s ALA 56 CO 0.49 -2.55 0.91 -0.35 0.00 0.00 0.00 175.76 174.25 2b87 n PRO 57 N -4.04 -0.78 0.00 0.00 -0.05 -1.26 -5.01 135.00 123.86 2b87 n PRO 57 Ca 0.08 -1.52 0.11 0.00 -0.05 0.00 0.00 63.50 62.12 2b87 n PRO 57 Cb 0.54 -0.90 0.09 0.00 -0.05 0.00 0.00 33.50 33.19 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08