#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 0.74 -0.48 4.52 2.03 -2.08 -1.53 116.42 119.63 2b87 h ASP 2 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2b87 h ASP 2 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 2b87 h ASP 2 CO 0.00 0.64 0.00 0.59 -1.03 0.00 0.00 179.24 179.44 2b87 n ASN 3 N -4.36 2.62 -0.29 4.15 3.02 -1.26 -4.35 115.26 114.80 2b87 n ASN 3 Ca 0.05 -1.99 0.01 0.00 -0.03 0.00 0.00 54.58 52.62 2b87 n ASN 3 Cb 0.13 -0.32 0.14 0.00 -0.61 0.00 0.00 39.78 39.13 2b87 n ASN 3 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2b87 h LYS 4 N 2.90 0.83 -0.86 3.52 3.64 -1.70 0.15 116.57 125.05 2b87 h LYS 4 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2b87 h LYS 4 Cb 0.66 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2b87 h LYS 4 CO 0.00 0.55 0.47 0.27 -2.27 0.00 0.00 179.45 178.47 2b87 h PHE 5 N 0.86 1.18 -0.38 1.91 -0.00 -1.78 0.47 116.94 119.20 2b87 h PHE 5 Ca 0.36 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 58.25 2b87 h PHE 5 Cb 0.23 -0.38 -0.01 0.00 -0.00 0.00 0.00 35.95 35.79 2b87 h PHE 5 CO -0.05 0.82 0.01 -0.97 -0.00 0.00 0.00 178.31 178.12 2b87 h ASN 6 N 1.21 0.65 -0.62 -0.68 -1.24 -1.49 1.65 115.58 115.06 2b87 h ASN 6 Ca 0.30 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2b87 h ASN 6 Cb 0.03 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 2b87 h ASN 6 CO -0.05 0.79 0.35 0.50 -1.29 0.00 0.00 177.43 177.74 2b87 h LYS 7 N 0.49 0.85 -0.20 6.67 1.63 -0.21 0.47 116.57 126.26 2b87 h LYS 7 Ca 0.11 -0.09 -0.20 0.00 -0.85 0.00 0.00 60.65 59.62 2b87 h LYS 7 Cb 0.45 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2b87 h LYS 7 CO 0.02 0.63 -0.66 1.49 -3.45 0.00 0.00 179.45 177.47 2b87 h GLU 8 N 0.83 0.75 -0.92 1.90 4.57 0.24 1.11 114.58 123.07 2b87 h GLU 8 Ca 0.22 -0.54 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2b87 h GLU 8 Cb 0.01 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 2b87 h GLU 8 CO -0.04 1.16 0.61 1.25 -1.18 0.00 0.00 179.01 180.81 2b87 h LEU 9 N 0.55 1.04 -0.07 1.64 5.85 0.29 1.37 115.31 125.98 2b87 h LEU 9 Ca -0.02 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 2b87 h LEU 9 Cb 1.26 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.06 2b87 h LEU 9 CO 0.14 0.74 -0.81 1.23 -0.34 0.00 0.00 178.44 179.40 2b87 h GLY 10 N 1.22 0.74 0.52 3.75 0.00 0.12 -2.83 103.07 106.61 2b87 h GLY 10 Ca 0.35 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 2b87 h GLY 10 CO -0.09 1.04 -0.04 -0.25 0.00 0.00 0.00 176.54 177.21 2b87 h TRP 11 N 0.34 -0.09 -0.82 5.60 -0.00 0.24 -1.89 115.95 119.32 2b87 h TRP 11 Ca -0.08 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.88 2b87 h TRP 11 Cb 1.46 0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 30.60 2b87 h TRP 11 CO 0.11 0.35 0.54 0.00 -0.00 0.00 0.00 178.44 179.44 2b87 h ALA 12 N 0.28 1.65 -0.41 2.65 0.00 0.17 0.56 119.26 124.15 2b87 h ALA 12 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 12 Cb 0.49 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2b87 h ALA 12 CO 0.02 0.21 0.13 1.15 0.00 0.00 0.00 179.25 180.75 2b87 h THR 13 N 0.85 0.86 -0.26 0.00 2.02 -1.40 0.32 112.91 115.30 2b87 h THR 13 Ca 0.37 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 2b87 h THR 13 Cb 0.31 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2b87 h THR 13 CO -0.14 0.05 -0.00 -0.25 0.37 0.00 0.00 175.52 175.55 2b87 h TRP 14 N 0.29 0.50 -0.89 3.16 2.91 0.04 0.24 115.95 122.21 2b87 h TRP 14 Ca 0.19 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 60.13 2b87 h TRP 14 Cb 0.19 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 2b87 h TRP 14 CO -0.16 0.62 0.58 0.93 -1.03 0.00 0.00 178.44 179.38 2b87 h GLU 15 N 0.24 1.17 -0.21 2.65 5.08 0.49 1.12 114.58 125.12 2b87 h GLU 15 Ca 0.07 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2b87 h GLU 15 Cb 0.42 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2b87 h GLU 15 CO 0.01 0.79 -0.52 0.82 -1.00 0.00 0.00 179.01 179.11 2b87 h ILE 16 N 1.21 1.31 -0.49 3.13 2.04 -0.24 -2.00 117.51 122.48 2b87 h ILE 16 Ca 0.32 -1.74 -0.07 0.00 1.00 0.00 0.00 64.86 64.37 2b87 h ILE 16 Cb -0.12 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2b87 h ILE 16 CO -0.07 0.55 0.02 0.15 0.00 0.00 0.00 178.15 178.80 2b87 h PHE 17 N 0.46 0.84 -0.22 1.37 3.57 0.14 -2.66 116.94 120.44 2b87 h PHE 17 Ca 0.02 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2b87 h PHE 17 Cb 1.06 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2b87 h PHE 17 CO 0.05 0.76 0.00 0.09 -2.23 0.00 0.00 178.31 176.98 2b87 n ASN 18 N -4.23 1.82 -4.75 0.41 5.03 0.37 -4.93 115.26 108.99 2b87 n ASN 18 Ca 0.03 -1.78 -0.41 0.00 0.87 0.00 0.00 54.58 53.29 2b87 n ASN 18 Cb 0.29 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.88 2b87 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b87 s LEU 19 N -1.46 4.42 -0.03 3.41 1.43 -0.77 -4.91 118.68 120.77 2b87 s LEU 19 Ca 0.31 2.51 0.03 0.00 -1.03 0.00 0.00 54.13 55.95 2b87 s LEU 19 Cb 0.17 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.91 2b87 s LEU 19 CO 0.25 -0.55 0.87 -2.65 0.23 0.00 0.00 176.35 174.50 2b87 n PRO 20 N 2.15 1.56 0.00 1.29 -0.02 -1.26 -4.04 135.00 134.67 2b87 n PRO 20 Ca 0.05 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 2b87 n PRO 20 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 -4.87 2.55 3.02 -1.26 -4.99 115.26 109.74 2b87 n ASN 21 Ca 0.05 -0.88 -0.31 0.00 -0.03 0.00 0.00 54.58 53.40 2b87 n ASN 21 Cb 0.31 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 4.02 0.34 3.41 1.43 -1.26 -4.66 118.68 121.96 2b87 s LEU 22 Ca 0.00 1.11 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 2b87 s LEU 22 Cb 0.00 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2b87 s LEU 22 CO 0.00 -0.23 0.48 0.54 0.23 0.00 0.00 176.35 177.37 2b87 s ASN 23 N -2.61 5.99 0.46 2.29 4.22 -1.26 -4.89 114.94 119.13 2b87 s ASN 23 Ca 0.51 -0.11 0.26 0.00 -2.14 0.00 0.00 52.86 51.37 2b87 s ASN 23 Cb -0.10 -1.32 1.29 0.00 1.28 0.00 0.00 41.25 42.39 2b87 s ASN 23 CO 0.23 -0.43 1.78 1.23 -2.04 0.00 0.00 177.10 177.88 2b87 h GLY 24 N 0.87 0.75 0.32 0.45 0.00 -1.99 -0.97 103.07 102.50 2b87 h GLY 24 Ca -0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2b87 h GLY 24 CO 0.54 -0.10 -0.05 -2.08 0.00 0.00 0.00 176.54 174.86 2b87 h VAL 25 N 0.23 1.56 -0.60 4.60 2.07 -1.97 -1.48 116.25 120.66 2b87 h VAL 25 Ca 0.59 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2b87 h VAL 25 Cb 1.82 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 34.27 2b87 h VAL 25 CO -0.19 0.45 0.33 1.56 0.02 0.00 0.00 177.57 179.74 2b87 h GLN 26 N -0.66 0.83 -0.56 1.57 4.20 -1.71 0.69 115.11 119.47 2b87 h GLN 26 Ca -0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2b87 h GLN 26 Cb 0.76 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2b87 h GLN 26 CO 0.01 0.62 0.29 0.28 -0.67 0.00 0.00 178.83 179.36 2b87 h VAL 27 N 0.81 1.20 -0.49 -0.54 2.07 -1.31 0.35 116.25 118.32 2b87 h VAL 27 Ca 0.21 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2b87 h VAL 27 Cb 0.03 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2b87 h VAL 27 CO -0.03 0.22 0.20 0.50 0.02 0.00 0.00 177.57 178.48 2b87 h LYS 28 N 0.75 0.70 -0.19 1.57 3.64 -0.60 0.14 116.57 122.59 2b87 h LYS 28 Ca 0.19 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2b87 h LYS 28 Cb 0.09 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2b87 h LYS 28 CO -0.03 0.58 -0.35 0.00 -2.27 0.00 0.00 179.45 177.38 2b87 h ALA 29 N 1.53 0.29 -0.67 5.00 0.00 0.14 0.39 119.26 125.94 2b87 h ALA 29 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2b87 h ALA 29 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2b87 h ALA 29 CO -0.02 0.35 0.24 0.74 0.00 0.00 0.00 179.25 180.56 2b87 h PHE 30 N 0.23 1.01 -0.06 0.00 0.04 0.02 0.53 116.94 118.71 2b87 h PHE 30 Ca 0.01 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 2b87 h PHE 30 Cb 0.94 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 2b87 h PHE 30 CO 0.09 0.79 0.02 0.82 -0.60 0.00 0.00 178.31 179.43 2b87 h ILE 31 N 0.97 1.16 -0.90 -0.55 2.04 -0.54 0.33 117.51 120.02 2b87 h ILE 31 Ca 0.22 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.68 2b87 h ILE 31 Cb 0.23 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 2b87 h ILE 31 CO -0.01 0.13 0.55 -0.78 0.00 0.00 0.00 178.15 178.04 2b87 h ASP 32 N -0.09 0.84 -0.31 1.72 3.58 0.72 0.23 116.42 123.12 2b87 h ASP 32 Ca 0.02 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2b87 h ASP 32 Cb 0.20 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2b87 h ASP 32 CO -0.00 0.51 -0.21 0.28 -2.88 0.00 0.00 179.24 176.93 2b87 h SER 33 N 0.96 0.80 0.29 2.28 0.02 0.34 0.07 113.55 118.30 2b87 h SER 33 Ca 0.41 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2b87 h SER 33 Cb 0.28 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2b87 h SER 33 CO -0.21 0.99 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.26 2b87 h LEU 34 N 0.69 -0.33 -0.44 5.07 3.38 0.17 0.80 115.31 124.65 2b87 h LEU 34 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2b87 h LEU 34 Cb 0.72 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2b87 h LEU 34 CO 0.06 -0.20 0.21 0.03 0.09 0.00 0.00 178.44 178.63 2b87 h ARG 35 N -0.42 0.64 -0.34 1.13 3.08 -0.57 0.27 114.38 118.17 2b87 h ARG 35 Ca -0.04 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2b87 h ARG 35 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2b87 h ARG 35 CO 0.06 0.54 0.09 0.22 -1.07 0.00 0.00 179.97 179.82 2b87 h ASP 36 N 0.57 0.45 -1.66 7.04 3.58 -0.79 -3.38 116.42 122.22 2b87 h ASP 36 Ca 0.15 -0.05 -0.24 0.00 0.42 0.00 0.00 57.03 57.31 2b87 h ASP 36 Cb 0.11 -0.11 -0.28 0.00 1.72 0.00 0.00 39.33 40.77 2b87 h ASP 36 CO -0.02 0.45 -0.59 -0.62 -2.88 0.00 0.00 179.24 175.58 2b87 s ASP 37 N -6.74 0.33 0.37 2.28 -1.08 0.28 -5.01 116.67 107.10 2b87 s ASP 37 Ca -0.08 -1.01 0.18 0.00 -0.52 0.00 0.00 52.55 51.12 2b87 s ASP 37 Cb 0.16 1.04 0.65 0.00 -1.46 0.00 0.00 42.92 43.32 2b87 s ASP 37 CO 0.75 -0.27 1.73 -0.65 0.52 0.00 0.00 175.17 177.24 2b87 h PRO 38 N 7.41 0.00 0.00 4.34 0.11 -0.68 -2.30 132.00 140.88 2b87 h PRO 38 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2b87 h PRO 38 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b87 h PRO 38 CO 0.20 0.40 -0.10 0.77 -0.21 0.00 0.00 178.00 179.06 2b87 h SER 39 N 0.00 0.00 -0.08 -2.05 0.02 -1.91 -1.23 113.55 108.30 2b87 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b87 h SER 39 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2b87 h SER 39 CO 0.05 0.10 0.00 1.67 -1.14 0.00 0.00 176.83 177.51 2b87 n GLN 40 N -3.54 1.99 -0.34 3.45 7.27 -0.87 -4.52 117.38 120.82 2b87 n GLN 40 Ca -0.02 -1.45 0.14 0.00 0.07 0.00 0.00 57.00 55.75 2b87 n GLN 40 Cb 0.23 -1.46 0.34 0.00 2.41 0.00 0.00 30.24 31.75 2b87 n GLN 40 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2b87 h SER 41 N 3.34 0.65 -0.54 1.69 0.02 -1.15 0.25 113.55 117.81 2b87 h SER 41 Ca 0.00 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2b87 h SER 41 Cb 0.72 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2b87 h SER 41 CO 0.00 0.16 0.15 0.00 -1.14 0.00 0.00 176.83 176.00 2b87 h ALA 42 N 1.68 1.16 -0.23 3.77 0.00 -1.81 0.16 119.26 124.00 2b87 h ALA 42 Ca 0.59 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 2b87 h ALA 42 Cb 1.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2b87 h ALA 42 CO -0.44 0.57 -0.36 -0.91 0.00 0.00 0.00 179.25 178.11 2b87 h ASN 43 N 0.87 0.53 -0.01 0.00 2.35 -0.90 0.26 115.58 118.68 2b87 h ASN 43 Ca 0.19 -0.22 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 2b87 h ASN 43 Cb 0.30 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2b87 h ASN 43 CO -0.00 0.85 -0.78 -0.07 -1.65 0.00 0.00 177.43 175.78 2b87 h LEU 44 N 0.43 0.80 -0.95 1.61 3.38 -0.54 0.50 115.31 120.54 2b87 h LEU 44 Ca 0.05 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2b87 h LEU 44 Cb 0.83 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2b87 h LEU 44 CO 0.07 1.32 0.17 0.25 0.09 0.00 0.00 178.44 180.34 2b87 h LEU 45 N 0.45 0.88 -0.25 1.67 5.85 -0.49 0.67 115.31 124.09 2b87 h LEU 45 Ca -0.05 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2b87 h LEU 45 Cb 1.39 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2b87 h LEU 45 CO 0.15 0.84 0.04 0.00 -0.34 0.00 0.00 178.44 179.12 2b87 h ALA 46 N 1.28 0.33 -0.77 1.25 0.00 0.08 0.14 119.26 121.58 2b87 h ALA 46 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2b87 h ALA 46 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2b87 h ALA 46 CO -0.00 0.02 0.42 0.93 0.00 0.00 0.00 179.25 180.61 2b87 h GLU 47 N 0.22 1.07 -0.10 0.00 4.39 0.67 0.38 114.58 121.21 2b87 h GLU 47 Ca 0.08 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2b87 h GLU 47 Cb 0.34 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2b87 h GLU 47 CO 0.01 0.79 0.02 0.00 -1.16 0.00 0.00 179.01 178.66 2b87 h ALA 48 N 1.38 0.14 -0.17 3.43 0.00 0.77 0.69 119.26 125.50 2b87 h ALA 48 Ca 0.27 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2b87 h ALA 48 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b87 h ALA 48 CO -0.04 -0.21 0.11 0.87 0.00 0.00 0.00 179.25 179.98 2b87 h LYS 49 N -0.06 0.10 -0.09 0.00 1.57 -0.22 1.43 116.57 119.30 2b87 h LYS 49 Ca 0.03 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 2b87 h LYS 49 Cb 0.28 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.58 2b87 h LYS 49 CO 0.00 0.07 -0.83 0.87 -0.57 0.00 0.00 179.45 178.99 2b87 h LYS 50 N 0.11 0.73 -0.26 3.15 6.56 -0.08 0.20 116.57 126.97 2b87 h LYS 50 Ca 0.07 -0.66 -0.13 0.00 -1.06 0.00 0.00 60.65 58.88 2b87 h LYS 50 Cb 0.16 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2b87 h LYS 50 CO -0.01 1.26 -0.33 -0.07 -2.06 0.00 0.00 179.45 178.24 2b87 h LEU 51 N 0.42 0.75 -0.31 2.94 -0.00 0.22 0.41 115.31 119.74 2b87 h LEU 51 Ca -0.08 -0.50 -0.01 0.00 -0.00 0.00 0.00 57.88 57.29 2b87 h LEU 51 Cb 1.48 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2b87 h LEU 51 CO 0.17 1.10 0.15 -1.13 -0.00 0.00 0.00 178.44 178.72 2b87 h ASN 52 N 0.42 0.40 -0.70 -0.43 -0.73 0.18 0.31 115.58 115.04 2b87 h ASN 52 Ca 0.03 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 2b87 h ASN 52 Cb 0.91 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.37 2b87 h ASN 52 CO 0.08 0.42 0.31 -0.78 -0.37 0.00 0.00 177.43 177.09 2b87 h ASP 53 N 0.36 0.93 -0.73 1.15 3.58 -0.48 0.99 116.42 122.23 2b87 h ASP 53 Ca 0.11 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2b87 h ASP 53 Cb 0.12 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 2b87 h ASP 53 CO -0.01 0.83 0.38 0.00 -2.88 0.00 0.00 179.24 177.55 2b87 h ALA 54 N 1.14 1.27 -0.00 -0.78 0.00 0.31 -0.51 119.26 120.69 2b87 h ALA 54 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2b87 h ALA 54 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2b87 h ALA 54 CO -0.03 0.58 -0.20 1.04 0.00 0.00 0.00 179.25 180.65 2b87 n GLN 55 N -4.34 0.47 -3.27 0.00 6.02 0.11 -4.84 117.38 111.53 2b87 n GLN 55 Ca 0.07 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 56.48 2b87 n GLN 55 Cb 0.12 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.66 3.56 0.51 -1.58 0.00 0.34 -4.95 121.76 116.98 2b87 s ALA 56 Ca 0.22 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 2b87 s ALA 56 Cb 0.19 -2.65 -0.13 0.00 0.00 0.00 0.00 23.12 20.53 2b87 s ALA 56 CO 0.54 0.33 0.07 -0.35 0.00 0.00 0.00 175.76 176.35 2b87 n PRO 57 N 2.03 0.14 0.00 0.00 -0.04 -1.26 -4.89 135.00 130.98 2b87 n PRO 57 Ca -0.10 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2b87 n PRO 57 Cb 0.51 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09