#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b87 h ASP 2 N 0.00 1.03 -0.67 4.52 2.03 -2.08 -2.00 116.42 119.26 2b87 h ASP 2 Ca 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2b87 h ASP 2 Cb 0.00 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.24 2b87 h ASP 2 CO 0.00 0.85 0.00 -0.46 -1.03 0.00 0.00 179.24 178.60 2b87 n ASN 3 N -4.33 4.72 -0.11 4.15 0.23 -1.26 -4.51 115.26 114.15 2b87 n ASN 3 Ca 0.08 -2.40 -0.06 0.00 -0.53 0.00 0.00 54.58 51.67 2b87 n ASN 3 Cb 0.11 -0.57 0.02 0.00 -2.08 0.00 0.00 39.78 37.25 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2b87 h LYS 4 N 4.17 0.34 -0.93 -3.83 3.64 -1.79 0.24 116.57 118.41 2b87 h LYS 4 Ca 0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2b87 h LYS 4 Cb 1.41 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 2b87 h LYS 4 CO 0.21 0.22 0.61 0.27 -2.27 0.00 0.00 179.45 178.50 2b87 h PHE 5 N 0.35 1.18 -0.37 1.91 -0.00 -1.79 0.47 116.94 118.68 2b87 h PHE 5 Ca 0.16 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.13 2b87 h PHE 5 Cb 0.10 -0.40 -0.02 0.00 -0.00 0.00 0.00 35.95 35.63 2b87 h PHE 5 CO -0.11 0.74 0.11 -0.97 -0.00 0.00 0.00 178.31 178.08 2b87 h ASN 6 N 1.27 0.55 -0.68 -0.68 -1.24 -1.60 1.42 115.58 114.63 2b87 h ASN 6 Ca 0.34 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2b87 h ASN 6 Cb -0.14 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.73 2b87 h ASN 6 CO -0.07 0.62 0.31 0.50 -1.29 0.00 0.00 177.43 177.49 2b87 h LYS 7 N 0.46 0.99 -0.42 6.67 3.64 0.16 0.28 116.57 128.34 2b87 h LYS 7 Ca 0.12 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 2b87 h LYS 7 Cb 0.27 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2b87 h LYS 7 CO -0.00 0.80 -0.29 0.93 -2.27 0.00 0.00 179.45 178.62 2b87 h GLU 8 N 0.95 0.92 -0.93 1.90 5.08 0.36 1.07 114.58 123.93 2b87 h GLU 8 Ca 0.23 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2b87 h GLU 8 Cb 0.15 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2b87 h GLU 8 CO -0.03 1.08 0.61 1.25 -1.00 0.00 0.00 179.01 180.93 2b87 h LEU 9 N 0.78 1.06 -0.11 1.33 5.85 0.25 0.75 115.31 125.22 2b87 h LEU 9 Ca 0.09 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 2b87 h LEU 9 Cb 0.86 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.64 2b87 h LEU 9 CO 0.08 0.76 -0.92 1.23 -0.34 0.00 0.00 178.44 179.25 2b87 h GLY 10 N 1.25 0.74 0.55 3.75 0.00 -0.09 -2.89 103.07 106.37 2b87 h GLY 10 Ca 0.34 -1.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 2b87 h GLY 10 CO -0.08 1.05 -0.03 -0.25 0.00 0.00 0.00 176.54 177.23 2b87 h TRP 11 N 0.41 -0.09 -0.86 5.60 -0.00 0.23 -1.45 115.95 119.79 2b87 h TRP 11 Ca -0.09 -0.00 0.07 0.00 -0.00 0.00 0.00 58.89 58.87 2b87 h TRP 11 Cb 1.56 0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 30.69 2b87 h TRP 11 CO 0.09 0.34 0.56 0.00 -0.00 0.00 0.00 178.44 179.43 2b87 h ALA 12 N 0.33 1.58 -0.36 2.65 0.00 0.35 0.27 119.26 124.08 2b87 h ALA 12 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2b87 h ALA 12 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2b87 h ALA 12 CO 0.02 0.29 0.10 1.15 0.00 0.00 0.00 179.25 180.80 2b87 h THR 13 N 0.94 0.86 -0.37 0.00 2.02 -1.39 0.22 112.91 115.20 2b87 h THR 13 Ca 0.37 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 2b87 h THR 13 Cb 0.25 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2b87 h THR 13 CO -0.14 0.04 0.13 -0.25 0.37 0.00 0.00 175.52 175.68 2b87 h TRP 14 N 0.24 0.58 -0.75 3.16 2.91 0.14 0.90 115.95 123.12 2b87 h TRP 14 Ca 0.17 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 2b87 h TRP 14 Cb 0.17 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.61 2b87 h TRP 14 CO -0.16 0.54 0.29 0.93 -1.03 0.00 0.00 178.44 179.00 2b87 h GLU 15 N 0.45 1.13 -0.53 2.65 5.08 -0.09 0.60 114.58 123.87 2b87 h GLU 15 Ca 0.12 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2b87 h GLU 15 Cb 0.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2b87 h GLU 15 CO -0.01 0.93 -0.07 0.82 -1.00 0.00 0.00 179.01 179.68 2b87 h ILE 16 N 1.09 1.26 -0.23 3.13 2.04 -0.42 -1.84 117.51 122.55 2b87 h ILE 16 Ca 0.25 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2b87 h ILE 16 Cb 0.23 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2b87 h ILE 16 CO -0.02 0.42 -0.09 0.15 0.00 0.00 0.00 178.15 178.61 2b87 h PHE 17 N 0.87 0.38 -0.01 1.37 3.04 -0.02 -2.18 116.94 120.39 2b87 h PHE 17 Ca 0.14 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.05 2b87 h PHE 17 Cb 0.61 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.01 2b87 h PHE 17 CO 0.04 0.46 -0.04 0.09 -2.02 0.00 0.00 178.31 176.83 2b87 n ASN 18 N -4.26 0.79 -4.73 0.41 3.02 0.20 -4.89 115.26 105.81 2b87 n ASN 18 Ca 0.00 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 2b87 n ASN 18 Cb 0.27 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 19 N -2.15 4.40 -0.02 3.41 1.43 -0.76 -4.92 118.68 120.08 2b87 s LEU 19 Ca 0.38 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 2b87 s LEU 19 Cb 0.21 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.92 2b87 s LEU 19 CO 0.39 -0.52 0.80 -2.65 0.23 0.00 0.00 176.35 174.59 2b87 n PRO 20 N 3.18 1.38 0.00 1.29 -0.02 -1.26 -4.07 135.00 135.50 2b87 n PRO 20 Ca 0.08 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2b87 n PRO 20 Cb 0.44 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b87 n ASN 21 N -0.03 0.00 -4.82 2.55 3.02 -1.26 -5.00 115.26 109.72 2b87 n ASN 21 Ca 0.03 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.59 2b87 n ASN 21 Cb 0.27 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 2b87 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b87 s LEU 22 N 0.00 3.90 0.34 3.41 1.43 -1.26 -4.75 118.68 121.75 2b87 s LEU 22 Ca 0.00 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2b87 s LEU 22 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2b87 s LEU 22 CO 0.00 -0.40 0.56 0.54 0.23 0.00 0.00 176.35 177.29 2b87 s ASN 23 N -2.28 6.33 0.29 2.29 4.22 -1.26 -4.88 114.94 119.65 2b87 s ASN 23 Ca 0.62 0.55 0.03 0.00 -2.14 0.00 0.00 52.86 51.92 2b87 s ASN 23 Cb -0.09 -2.08 0.74 0.00 1.28 0.00 0.00 41.25 41.10 2b87 s ASN 23 CO 0.15 -0.28 1.66 1.23 -2.04 0.00 0.00 177.10 177.82 2b87 h GLY 24 N 1.01 1.45 0.87 0.45 0.00 -1.99 0.05 103.07 104.91 2b87 h GLY 24 Ca -0.49 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2b87 h GLY 24 CO 0.63 -0.36 -0.10 -2.08 0.00 0.00 0.00 176.54 174.64 2b87 h VAL 25 N 0.26 1.29 -0.65 4.60 2.07 -1.97 0.01 116.25 121.85 2b87 h VAL 25 Ca 0.57 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2b87 h VAL 25 Cb 1.15 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2b87 h VAL 25 CO -0.62 0.36 0.37 1.56 0.02 0.00 0.00 177.57 179.26 2b87 h GLN 26 N 0.28 0.90 -0.46 1.57 4.20 -1.50 0.91 115.11 121.00 2b87 h GLN 26 Ca 0.06 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2b87 h GLN 26 Cb 0.59 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2b87 h GLN 26 CO 0.03 0.67 0.20 0.28 -0.67 0.00 0.00 178.83 179.34 2b87 h VAL 27 N 0.89 1.20 -0.45 -0.54 2.07 -1.00 0.32 116.25 118.74 2b87 h VAL 27 Ca 0.23 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2b87 h VAL 27 Cb 0.02 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2b87 h VAL 27 CO -0.04 0.22 0.15 0.11 0.02 0.00 0.00 177.57 178.03 2b87 h LYS 28 N 0.60 0.65 -0.23 1.57 1.57 -0.33 0.12 116.57 120.52 2b87 h LYS 28 Ca 0.16 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2b87 h LYS 28 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2b87 h LYS 28 CO -0.02 0.56 -0.31 0.00 -0.57 0.00 0.00 179.45 179.12 2b87 h ALA 29 N 1.53 0.34 -0.64 3.86 0.00 0.17 0.61 119.26 125.12 2b87 h ALA 29 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2b87 h ALA 29 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2b87 h ALA 29 CO -0.01 0.37 0.18 0.74 0.00 0.00 0.00 179.25 180.53 2b87 h PHE 30 N 0.30 1.02 -0.24 0.00 0.04 -0.05 0.66 116.94 118.67 2b87 h PHE 30 Ca 0.03 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2b87 h PHE 30 Cb 0.89 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2b87 h PHE 30 CO 0.08 0.82 0.06 0.82 -0.60 0.00 0.00 178.31 179.50 2b87 h ILE 31 N 0.95 1.21 -0.84 -0.55 2.04 -0.51 0.30 117.51 120.11 2b87 h ILE 31 Ca 0.21 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2b87 h ILE 31 Cb 0.30 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2b87 h ILE 31 CO -0.01 0.22 0.50 0.44 0.00 0.00 0.00 178.15 179.30 2b87 h ASP 32 N 0.22 1.01 -0.44 1.72 3.32 0.11 0.55 116.42 122.91 2b87 h ASP 32 Ca 0.08 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2b87 h ASP 32 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2b87 h ASP 32 CO 0.00 0.78 0.02 0.28 -1.72 0.00 0.00 179.24 178.60 2b87 h SER 33 N 1.15 0.81 0.15 6.45 0.02 0.55 0.44 113.55 123.12 2b87 h SER 33 Ca 0.30 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2b87 h SER 33 Cb -0.04 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2b87 h SER 33 CO -0.06 0.86 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.36 2b87 h LEU 34 N 0.79 -0.17 -0.56 5.07 3.38 0.78 0.85 115.31 125.45 2b87 h LEU 34 Ca 0.15 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2b87 h LEU 34 Cb 0.45 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2b87 h LEU 34 CO 0.02 -0.04 0.35 0.03 0.09 0.00 0.00 178.44 178.88 2b87 h ARG 35 N -0.29 0.67 -0.47 1.13 3.08 0.47 0.19 114.38 119.16 2b87 h ARG 35 Ca -0.02 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2b87 h ARG 35 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2b87 h ARG 35 CO 0.03 0.44 -0.20 0.22 -1.07 0.00 0.00 179.97 179.40 2b87 h ASP 36 N 0.69 0.97 -2.31 7.04 3.58 0.10 -3.40 116.42 123.08 2b87 h ASP 36 Ca 0.22 -0.35 -0.44 0.00 0.42 0.00 0.00 57.03 56.88 2b87 h ASP 36 Cb 0.01 -0.27 -0.35 0.00 1.72 0.00 0.00 39.33 40.44 2b87 h ASP 36 CO -0.09 1.13 -0.73 -0.62 -2.88 0.00 0.00 179.24 176.05 2b87 s ASP 37 N -6.72 2.19 0.31 2.28 -1.08 0.29 -5.01 116.67 108.93 2b87 s ASP 37 Ca -0.11 -1.44 0.10 0.00 -0.52 0.00 0.00 52.55 50.59 2b87 s ASP 37 Cb 0.13 0.15 0.51 0.00 -1.46 0.00 0.00 42.92 42.25 2b87 s ASP 37 CO 0.86 -0.34 1.71 -0.65 0.52 0.00 0.00 175.17 177.27 2b87 h PRO 38 N 7.64 0.06 -0.03 4.34 0.11 -0.83 -2.46 132.00 140.83 2b87 h PRO 38 Ca -0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2b87 h PRO 38 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2b87 h PRO 38 CO 0.30 0.53 -0.16 0.77 -0.21 0.00 0.00 178.00 179.23 2b87 h SER 39 N 0.05 0.05 0.14 -2.05 0.02 -1.90 0.34 113.55 110.20 2b87 h SER 39 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2b87 h SER 39 Cb 0.87 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2b87 h SER 39 CO 0.07 0.21 -0.02 1.67 -1.14 0.00 0.00 176.83 177.61 2b87 n GLN 40 N -4.32 0.99 -0.33 3.45 7.27 -0.93 -4.19 117.38 119.31 2b87 n GLN 40 Ca -0.02 -0.23 0.19 0.00 0.07 0.00 0.00 57.00 57.01 2b87 n GLN 40 Cb 0.24 -1.50 0.44 0.00 2.41 0.00 0.00 30.24 31.84 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2b87 h SER 41 N 0.56 0.56 -0.42 1.69 4.64 -0.83 0.46 113.55 120.22 2b87 h SER 41 Ca 0.00 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 2b87 h SER 41 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2b87 h SER 41 CO 0.00 0.13 -0.04 0.00 -0.87 0.00 0.00 176.83 176.05 2b87 h ALA 42 N 1.65 1.02 -0.21 5.18 0.00 -1.79 0.62 119.26 125.73 2b87 h ALA 42 Ca 0.59 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2b87 h ALA 42 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2b87 h ALA 42 CO -0.35 0.60 -0.39 -0.91 0.00 0.00 0.00 179.25 178.20 2b87 h ASN 43 N 0.77 0.49 0.26 0.00 4.21 -0.48 0.22 115.58 121.06 2b87 h ASN 43 Ca 0.14 -0.21 -0.20 0.00 1.21 0.00 0.00 56.30 57.24 2b87 h ASN 43 Cb 0.52 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2b87 h ASN 43 CO 0.03 0.84 -0.79 -0.07 -1.29 0.00 0.00 177.43 176.15 2b87 h LEU 44 N 0.39 0.52 -0.80 1.61 3.38 -0.61 0.58 115.31 120.38 2b87 h LEU 44 Ca 0.04 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2b87 h LEU 44 Cb 0.86 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2b87 h LEU 44 CO 0.07 1.12 -0.03 0.25 0.09 0.00 0.00 178.44 179.95 2b87 h LEU 45 N 0.28 0.85 -0.27 1.67 5.85 -0.65 0.65 115.31 123.68 2b87 h LEU 45 Ca -0.05 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2b87 h LEU 45 Cb 1.39 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2b87 h LEU 45 CO 0.14 0.93 0.03 0.00 -0.34 0.00 0.00 178.44 179.19 2b87 h ALA 46 N 1.16 0.36 -0.69 1.25 0.00 0.12 0.39 119.26 121.84 2b87 h ALA 46 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2b87 h ALA 46 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2b87 h ALA 46 CO 0.03 0.07 0.30 0.93 0.00 0.00 0.00 179.25 180.58 2b87 h GLU 47 N 0.26 1.00 -0.25 0.00 4.39 0.62 0.27 114.58 120.86 2b87 h GLU 47 Ca 0.08 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2b87 h GLU 47 Cb 0.37 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2b87 h GLU 47 CO 0.01 0.79 -0.10 0.00 -1.16 0.00 0.00 179.01 178.55 2b87 h ALA 48 N 1.35 0.35 -0.36 3.43 0.00 0.68 0.77 119.26 125.47 2b87 h ALA 48 Ca 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2b87 h ALA 48 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2b87 h ALA 48 CO -0.03 0.19 0.24 0.87 0.00 0.00 0.00 179.25 180.53 2b87 h LYS 49 N 0.24 0.40 -0.07 0.00 1.79 0.41 1.39 116.57 120.73 2b87 h LYS 49 Ca 0.06 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.31 2b87 h LYS 49 Cb 0.60 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2b87 h LYS 49 CO 0.03 0.27 -0.70 0.87 -1.08 0.00 0.00 179.45 178.84 2b87 h LYS 50 N 0.42 0.60 -0.35 3.15 1.57 0.21 0.20 116.57 122.37 2b87 h LYS 50 Ca 0.14 -0.55 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 2b87 h LYS 50 Cb 0.06 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2b87 h LYS 50 CO -0.03 1.17 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.59 2b87 h LEU 51 N 0.23 0.93 -0.32 2.94 -0.00 0.17 0.21 115.31 119.46 2b87 h LEU 51 Ca -0.07 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.32 2b87 h LEU 51 Cb 1.36 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2b87 h LEU 51 CO 0.14 1.21 0.12 -1.13 -0.00 0.00 0.00 178.44 178.78 2b87 h ASN 52 N 0.66 0.45 -0.71 -0.43 -1.24 0.18 0.43 115.58 114.93 2b87 h ASN 52 Ca 0.05 -0.18 -0.06 0.00 0.71 0.00 0.00 56.30 56.82 2b87 h ASN 52 Cb 0.95 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.86 2b87 h ASN 52 CO 0.09 0.51 0.20 0.44 -1.29 0.00 0.00 177.43 177.37 2b87 h ASP 53 N 0.37 1.06 -0.55 1.15 3.32 -0.84 0.56 116.42 121.49 2b87 h ASP 53 Ca 0.11 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 2b87 h ASP 53 Cb 0.20 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2b87 h ASP 53 CO -0.01 1.00 0.09 0.00 -1.72 0.00 0.00 179.24 178.61 2b87 h ALA 54 N 1.10 1.05 -0.01 3.45 0.00 -0.20 -1.87 119.26 122.77 2b87 h ALA 54 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b87 h ALA 54 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2b87 h ALA 54 CO -0.00 0.61 -0.08 1.04 0.00 0.00 0.00 179.25 180.82 2b87 n GLN 55 N -4.23 1.02 -2.52 0.00 6.02 0.15 -4.87 117.38 112.94 2b87 n GLN 55 Ca 0.04 -0.42 -0.39 0.00 -0.01 0.00 0.00 57.00 56.22 2b87 n GLN 55 Cb 0.28 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.27 3.29 -0.96 -1.58 0.00 0.19 -4.85 121.76 115.59 2b87 s ALA 56 Ca 0.34 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 2b87 s ALA 56 Cb 0.21 -3.30 -0.27 0.00 0.00 0.00 0.00 23.12 19.76 2b87 s ALA 56 CO 0.43 -0.15 2.38 -0.35 0.00 0.00 0.00 175.76 178.07 2b87 n PRO 57 N 0.80 0.10 0.00 0.00 -0.04 -1.26 -4.99 135.00 129.61 2b87 n PRO 57 Ca 0.01 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2b87 n PRO 57 Cb 0.47 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09