#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 7.16 0.00 -1.34 1.01 -1.26 -4.92 116.67 117.32 2b87 s ASP 2 Ca 0.00 1.99 0.15 0.00 0.71 0.00 0.00 52.55 55.40 2b87 s ASP 2 Cb 0.00 -2.58 0.58 0.00 1.01 0.00 0.00 42.92 41.92 2b87 s ASP 2 CO 0.00 -0.39 1.41 -0.46 0.21 0.00 0.00 175.17 175.95 2b87 n ASN 3 N 3.55 1.25 -0.20 0.27 0.23 -1.26 -4.17 115.26 114.93 2b87 n ASN 3 Ca 0.07 -1.79 -0.02 0.00 -0.53 0.00 0.00 54.58 52.31 2b87 n ASN 3 Cb 0.47 -0.12 0.08 0.00 -2.08 0.00 0.00 39.78 38.13 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 1.52 0.55 0.05 -3.83 3.64 -1.97 0.51 116.57 117.04 2b87 h LYS 4 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2b87 h LYS 4 Cb 0.34 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2b87 h LYS 4 CO 0.00 0.36 -0.03 0.35 -2.27 0.00 0.00 179.45 177.86 2b87 h PHE 5 N 0.56 -0.07 -0.37 1.91 3.57 -1.98 0.73 116.94 121.29 2b87 h PHE 5 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2b87 h PHE 5 Cb 0.20 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2b87 h PHE 5 CO -0.10 -0.02 0.11 -0.97 -2.23 0.00 0.00 178.31 175.10 2b87 h ASN 6 N -0.10 0.53 -0.71 0.41 -1.24 -1.74 1.25 115.58 113.98 2b87 h ASN 6 Ca -0.01 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2b87 h ASN 6 Cb 0.08 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 2b87 h ASN 6 CO 0.01 0.60 0.40 0.50 -1.29 0.00 0.00 177.43 177.65 2b87 h LYS 7 N 0.44 0.99 -0.25 6.67 3.64 0.16 0.40 116.57 128.62 2b87 h LYS 7 Ca 0.12 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2b87 h LYS 7 Cb 0.26 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2b87 h LYS 7 CO -0.00 0.73 -0.04 1.49 -2.27 0.00 0.00 179.45 179.36 2b87 h GLU 8 N 0.98 0.46 -0.99 1.90 4.81 0.97 1.19 114.58 123.90 2b87 h GLU 8 Ca 0.25 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2b87 h GLU 8 Cb 0.02 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 2b87 h GLU 8 CO -0.04 0.67 0.65 1.25 -0.73 0.00 0.00 179.01 180.81 2b87 h LEU 9 N 0.22 1.10 -0.22 1.64 5.85 0.20 0.52 115.31 124.61 2b87 h LEU 9 Ca 0.07 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.55 2b87 h LEU 9 Cb 0.48 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2b87 h LEU 9 CO 0.02 0.76 -0.86 1.23 -0.34 0.00 0.00 178.44 179.25 2b87 h GLY 10 N 1.28 0.57 0.55 3.75 0.00 0.05 -2.93 103.07 106.33 2b87 h GLY 10 Ca 0.38 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2b87 h GLY 10 CO -0.11 0.80 -0.04 -0.25 0.00 0.00 0.00 176.54 176.94 2b87 h TRP 11 N 0.32 -0.11 -0.83 5.60 -0.00 0.30 -1.69 115.95 119.54 2b87 h TRP 11 Ca -0.07 -0.00 0.07 0.00 -0.00 0.00 0.00 58.89 58.89 2b87 h TRP 11 Cb 1.48 0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 30.63 2b87 h TRP 11 CO 0.07 0.31 0.54 0.00 -0.00 0.00 0.00 178.44 179.36 2b87 h ALA 12 N 0.27 1.62 -0.32 2.65 0.00 -0.16 0.25 119.26 123.56 2b87 h ALA 12 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2b87 h ALA 12 Cb 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2b87 h ALA 12 CO 0.02 0.25 0.08 1.15 0.00 0.00 0.00 179.25 180.75 2b87 h THR 13 N 0.89 0.86 -0.41 0.00 2.02 -1.39 0.53 112.91 115.41 2b87 h THR 13 Ca 0.36 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 2b87 h THR 13 Cb 0.26 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2b87 h THR 13 CO -0.13 0.04 0.20 -0.25 0.37 0.00 0.00 175.52 175.74 2b87 h TRP 14 N 0.20 0.59 -0.62 3.16 2.91 -0.15 0.00 115.95 122.03 2b87 h TRP 14 Ca 0.15 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 2b87 h TRP 14 Cb 0.15 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.59 2b87 h TRP 14 CO -0.17 0.48 0.22 0.93 -1.03 0.00 0.00 178.44 178.87 2b87 h GLU 15 N 0.52 0.95 -0.52 2.65 5.08 -0.62 0.76 114.58 123.41 2b87 h GLU 15 Ca 0.14 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2b87 h GLU 15 Cb 0.11 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2b87 h GLU 15 CO -0.02 0.83 -0.03 0.82 -1.00 0.00 0.00 179.01 179.61 2b87 h ILE 16 N 0.88 1.27 -0.83 3.13 2.04 -0.78 -2.55 117.51 120.68 2b87 h ILE 16 Ca 0.20 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2b87 h ILE 16 Cb 0.26 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2b87 h ILE 16 CO -0.01 0.40 0.54 0.15 0.00 0.00 0.00 178.15 179.23 2b87 h PHE 17 N 0.80 1.01 -0.21 1.37 3.04 -0.60 -2.35 116.94 120.00 2b87 h PHE 17 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 2b87 h PHE 17 Cb 0.57 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2b87 h PHE 17 CO 0.04 0.61 0.00 0.09 -2.02 0.00 0.00 178.31 177.03 2b87 n ASN 18 N -4.54 1.51 -4.74 0.41 3.02 0.23 -4.91 115.26 106.24 2b87 n ASN 18 Ca 0.09 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.43 2b87 n ASN 18 Cb 0.05 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.34 4.41 -0.00 3.41 1.43 -0.89 -4.91 118.68 120.78 2b87 s LEU 19 Ca 0.27 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2b87 s LEU 19 Cb 0.14 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.77 2b87 s LEU 19 CO 0.21 -0.59 0.74 -2.65 0.23 0.00 0.00 176.35 174.29 2b87 n PRO 20 N 2.43 1.10 0.00 1.29 -0.02 -1.26 -4.01 135.00 134.52 2b87 n PRO 20 Ca 0.06 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2b87 n PRO 20 Cb 0.42 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.17 0.00 -4.83 2.55 3.02 -1.26 -4.99 115.26 109.58 2b87 n ASN 21 Ca 0.01 -0.70 -0.33 0.00 -0.03 0.00 0.00 54.58 53.53 2b87 n ASN 21 Cb 0.17 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 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 3.83 0.32 3.41 1.43 -1.26 -4.73 118.68 121.69 2b87 s LEU 22 Ca 0.00 1.66 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2b87 s LEU 22 Cb 0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 2b87 s LEU 22 CO 0.00 -0.46 0.58 0.54 0.23 0.00 0.00 176.35 177.25 2b87 s ASN 23 N -2.45 6.41 0.28 2.29 2.20 -1.26 -4.87 114.94 117.53 2b87 s ASN 23 Ca 0.61 0.71 0.01 0.00 -0.94 0.00 0.00 52.86 53.25 2b87 s ASN 23 Cb -0.10 -2.14 0.67 0.00 -2.00 0.00 0.00 41.25 37.68 2b87 s ASN 23 CO 0.19 -0.26 1.66 1.23 -2.94 0.00 0.00 177.10 176.98 2b87 h GLY 24 N 1.37 1.32 0.88 0.45 0.00 -1.99 0.11 103.07 105.21 2b87 h GLY 24 Ca -0.48 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 2b87 h GLY 24 CO 0.65 -0.32 -0.08 -2.08 0.00 0.00 0.00 176.54 174.70 2b87 h VAL 25 N 0.24 1.28 -0.56 4.60 2.07 -1.97 0.48 116.25 122.40 2b87 h VAL 25 Ca 0.53 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2b87 h VAL 25 Cb 1.03 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2b87 h VAL 25 CO -0.62 0.36 0.32 1.56 0.02 0.00 0.00 177.57 179.21 2b87 h GLN 26 N 0.31 0.78 -0.24 1.57 4.20 -1.44 0.89 115.11 121.19 2b87 h GLN 26 Ca 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2b87 h GLN 26 Cb 0.57 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2b87 h GLN 26 CO 0.03 0.59 0.13 0.28 -0.67 0.00 0.00 178.83 179.19 2b87 h VAL 27 N 0.76 1.13 -0.46 -0.54 2.07 -0.82 0.13 116.25 118.53 2b87 h VAL 27 Ca 0.20 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2b87 h VAL 27 Cb 0.03 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2b87 h VAL 27 CO -0.03 0.13 0.29 0.11 0.02 0.00 0.00 177.57 178.08 2b87 h LYS 28 N 0.28 0.60 -0.23 1.57 1.57 -0.37 0.48 116.57 120.47 2b87 h LYS 28 Ca 0.09 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2b87 h LYS 28 Cb 0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2b87 h LYS 28 CO -0.01 0.41 -0.29 0.00 -0.57 0.00 0.00 179.45 178.99 2b87 h ALA 29 N 1.70 0.35 -0.71 3.86 0.00 0.16 0.58 119.26 125.20 2b87 h ALA 29 Ca 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2b87 h ALA 29 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2b87 h ALA 29 CO -0.03 0.36 0.22 0.74 0.00 0.00 0.00 179.25 180.54 2b87 h PHE 30 N 0.30 1.13 -0.34 0.00 0.04 -0.26 0.55 116.94 118.38 2b87 h PHE 30 Ca 0.03 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 2b87 h PHE 30 Cb 0.87 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2b87 h PHE 30 CO 0.08 0.90 0.03 0.82 -0.60 0.00 0.00 178.31 179.53 2b87 h ILE 31 N 1.06 1.25 -0.84 -0.55 2.04 -0.72 0.19 117.51 119.93 2b87 h ILE 31 Ca 0.23 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2b87 h ILE 31 Cb 0.30 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2b87 h ILE 31 CO -0.01 0.30 0.55 -0.78 0.00 0.00 0.00 178.15 178.21 2b87 h ASP 32 N 0.39 0.94 -0.33 1.72 3.58 0.97 0.56 116.42 124.25 2b87 h ASP 32 Ca 0.10 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 2b87 h ASP 32 Cb 0.40 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2b87 h ASP 32 CO 0.01 0.67 -0.14 0.28 -2.88 0.00 0.00 179.24 177.17 2b87 h SER 33 N 1.10 0.77 0.21 2.28 0.02 0.32 -1.04 113.55 117.22 2b87 h SER 33 Ca 0.32 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2b87 h SER 33 Cb -0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2b87 h SER 33 CO -0.08 0.93 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.32 2b87 h LEU 34 N 0.69 -0.35 -0.38 5.07 3.38 0.58 0.62 115.31 124.93 2b87 h LEU 34 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2b87 h LEU 34 Cb 0.63 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2b87 h LEU 34 CO 0.04 -0.22 0.22 0.03 0.09 0.00 0.00 178.44 178.60 2b87 h ARG 35 N -0.35 0.43 -0.44 1.13 3.08 -0.79 1.00 114.38 118.44 2b87 h ARG 35 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2b87 h ARG 35 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2b87 h ARG 35 CO 0.01 0.28 0.13 0.22 -1.07 0.00 0.00 179.97 179.55 2b87 h ASP 36 N 0.44 0.59 -1.56 7.04 3.58 -0.92 -3.39 116.42 122.20 2b87 h ASP 36 Ca 0.15 -0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.37 2b87 h ASP 36 Cb 0.01 -0.15 -0.27 0.00 1.72 0.00 0.00 39.33 40.64 2b87 h ASP 36 CO -0.07 0.57 -0.51 -0.62 -2.88 0.00 0.00 179.24 175.73 2b87 s ASP 37 N -6.65 -0.01 0.36 2.28 -1.08 0.22 -5.02 116.67 106.76 2b87 s ASP 37 Ca -0.09 -0.35 0.17 0.00 -0.52 0.00 0.00 52.55 51.77 2b87 s ASP 37 Cb 0.16 1.28 0.64 0.00 -1.46 0.00 0.00 42.92 43.55 2b87 s ASP 37 CO 0.77 -0.33 1.73 -0.65 0.52 0.00 0.00 175.17 177.20 2b87 h PRO 38 N 8.05 0.00 0.00 4.34 0.11 -1.04 -2.61 132.00 140.85 2b87 h PRO 38 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2b87 h PRO 38 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2b87 h PRO 38 CO 0.23 0.42 -0.07 0.66 -0.21 0.00 0.00 178.00 179.03 2b87 h SER 39 N 0.00 0.00 0.20 -2.05 4.64 -1.94 0.19 113.55 114.59 2b87 h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b87 h SER 39 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2b87 h SER 39 CO 0.05 0.07 -0.11 0.00 -0.87 0.00 0.00 176.83 175.98 2b87 n GLN 40 N -4.17 1.01 -0.32 4.77 3.00 -0.99 -4.19 117.38 116.49 2b87 n GLN 40 Ca -0.03 -0.46 0.20 0.00 -0.01 0.00 0.00 57.00 56.70 2b87 n GLN 40 Cb 0.16 -1.49 0.46 0.00 0.00 0.00 0.00 30.24 29.37 2b87 n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2b87 h SER 41 N 1.13 0.53 -0.48 1.08 4.64 -0.59 0.69 113.55 120.55 2b87 h SER 41 Ca 0.00 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 2b87 h SER 41 Cb 0.39 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2b87 h SER 41 CO 0.00 0.13 -0.18 0.00 -0.87 0.00 0.00 176.83 175.91 2b87 h ALA 42 N 1.64 0.67 -0.28 5.18 0.00 -1.77 0.82 119.26 125.52 2b87 h ALA 42 Ca 0.58 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2b87 h ALA 42 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2b87 h ALA 42 CO -0.32 0.63 -0.26 -0.91 0.00 0.00 0.00 179.25 178.40 2b87 h ASN 43 N 0.82 0.55 0.07 0.00 2.35 -0.17 0.33 115.58 119.53 2b87 h ASN 43 Ca 0.11 -0.19 -0.21 0.00 -0.55 0.00 0.00 56.30 55.46 2b87 h ASN 43 Cb 0.76 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2b87 h ASN 43 CO 0.06 0.79 -0.78 -0.07 -1.65 0.00 0.00 177.43 175.78 2b87 h LEU 44 N 0.47 0.71 -0.82 1.61 3.38 0.21 0.64 115.31 121.51 2b87 h LEU 44 Ca 0.07 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2b87 h LEU 44 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2b87 h LEU 44 CO 0.05 1.25 0.07 0.25 0.09 0.00 0.00 178.44 180.15 2b87 h LEU 45 N 0.40 0.91 -0.26 1.67 5.85 -0.57 0.69 115.31 123.99 2b87 h LEU 45 Ca -0.05 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2b87 h LEU 45 Cb 1.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2b87 h LEU 45 CO 0.15 0.93 0.01 0.00 -0.34 0.00 0.00 178.44 179.19 2b87 h ALA 46 N 1.18 0.35 -0.63 1.25 0.00 0.22 0.26 119.26 121.89 2b87 h ALA 46 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2b87 h ALA 46 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2b87 h ALA 46 CO 0.01 0.07 0.26 0.93 0.00 0.00 0.00 179.25 180.52 2b87 h GLU 47 N 0.24 0.91 -0.20 0.00 4.39 0.80 0.25 114.58 120.97 2b87 h GLU 47 Ca 0.08 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2b87 h GLU 47 Cb 0.39 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2b87 h GLU 47 CO 0.01 0.74 -0.11 0.00 -1.16 0.00 0.00 179.01 178.49 2b87 h ALA 48 N 1.38 0.28 -0.13 3.43 0.00 0.73 0.84 119.26 125.79 2b87 h ALA 48 Ca 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2b87 h ALA 48 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b87 h ALA 48 CO -0.02 0.13 0.04 0.87 0.00 0.00 0.00 179.25 180.28 2b87 h LYS 49 N 0.12 0.18 -0.04 0.00 1.79 0.05 1.44 116.57 120.12 2b87 h LYS 49 Ca 0.04 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.28 2b87 h LYS 49 Cb 0.61 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2b87 h LYS 49 CO 0.03 0.16 -0.81 0.87 -1.08 0.00 0.00 179.45 178.62 2b87 h LYS 50 N 0.18 0.62 -0.27 3.15 1.57 0.08 0.64 116.57 122.54 2b87 h LYS 50 Ca 0.05 -0.61 -0.12 0.00 -1.87 0.00 0.00 60.65 58.09 2b87 h LYS 50 Cb 0.06 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2b87 h LYS 50 CO -0.00 1.22 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.73 2b87 h LEU 51 N 0.25 0.73 -0.37 2.94 -0.00 0.17 0.28 115.31 119.30 2b87 h LEU 51 Ca -0.09 -0.48 -0.01 0.00 -0.00 0.00 0.00 57.88 57.30 2b87 h LEU 51 Cb 1.48 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2b87 h LEU 51 CO 0.16 1.07 0.20 -1.13 -0.00 0.00 0.00 178.44 178.74 2b87 h ASN 52 N 0.41 0.47 -0.57 -0.43 -1.24 0.19 0.43 115.58 114.84 2b87 h ASN 52 Ca 0.04 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 2b87 h ASN 52 Cb 0.87 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2b87 h ASN 52 CO 0.07 0.43 0.22 -0.78 -1.29 0.00 0.00 177.43 176.08 2b87 h ASP 53 N 0.48 0.80 -0.69 1.15 3.58 -0.74 0.98 116.42 121.97 2b87 h ASP 53 Ca 0.13 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2b87 h ASP 53 Cb 0.07 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2b87 h ASP 53 CO -0.02 0.76 0.31 0.00 -2.88 0.00 0.00 179.24 177.42 2b87 h ALA 54 N 1.07 1.21 -0.00 -0.78 0.00 0.02 -1.01 119.26 119.77 2b87 h ALA 54 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2b87 h ALA 54 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b87 h ALA 54 CO -0.01 0.59 -0.20 1.04 0.00 0.00 0.00 179.25 180.67 2b87 n GLN 55 N -4.31 0.45 -3.22 0.00 6.02 0.15 -4.83 117.38 111.64 2b87 n GLN 55 Ca 0.07 -0.18 -0.39 0.00 -0.01 0.00 0.00 57.00 56.48 2b87 n GLN 55 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.67 3.50 0.47 -1.58 0.00 0.33 -4.92 121.76 116.89 2b87 s ALA 56 Ca 0.22 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 2b87 s ALA 56 Cb 0.19 -2.72 -0.14 0.00 0.00 0.00 0.00 23.12 20.45 2b87 s ALA 56 CO 0.54 0.18 0.16 -0.35 0.00 0.00 0.00 175.76 176.29 2b87 n PRO 57 N 2.67 0.18 0.00 0.00 -0.04 -1.26 -4.89 135.00 131.66 2b87 n PRO 57 Ca -0.07 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2b87 n PRO 57 Cb 0.51 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09