#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 0.42 -1.13 6.55 2.15 -1.26 -5.08 116.67 118.32 2b87 s ASP 2 Ca 0.00 -0.49 -0.20 0.00 0.43 0.00 0.00 52.55 52.29 2b87 s ASP 2 Cb 0.00 0.07 0.08 0.00 -0.30 0.00 0.00 42.92 42.78 2b87 s ASP 2 CO 0.00 -0.25 1.51 0.20 -0.17 0.00 0.00 175.17 176.46 2b87 s ASN 3 N -1.42 6.70 0.23 -0.34 0.01 -1.26 -4.83 114.94 114.04 2b87 s ASN 3 Ca -0.13 -2.06 -0.08 0.00 -0.71 0.00 0.00 52.86 49.88 2b87 s ASN 3 Cb -0.09 -2.53 0.24 0.00 0.41 0.00 0.00 41.25 39.27 2b87 s ASN 3 CO -0.01 -1.24 1.87 0.07 -1.51 0.00 0.00 177.10 176.28 2b87 h LYS 4 N 8.58 1.00 -0.60 -0.60 5.09 -1.98 0.38 116.57 128.44 2b87 h LYS 4 Ca 0.30 -0.06 -0.07 0.00 0.09 0.00 0.00 60.65 60.91 2b87 h LYS 4 Cb 0.95 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 33.03 2b87 h LYS 4 CO 1.38 0.66 0.10 0.27 -2.09 0.00 0.00 179.45 179.77 2b87 h PHE 5 N 1.03 1.05 -0.40 0.07 -0.00 -1.97 0.40 116.94 117.13 2b87 h PHE 5 Ca 0.32 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.97 58.09 2b87 h PHE 5 Cb -0.01 -0.29 -0.01 0.00 -0.00 0.00 0.00 35.95 35.64 2b87 h PHE 5 CO -0.02 0.91 0.02 -0.97 -0.00 0.00 0.00 178.31 178.25 2b87 h ASN 6 N 0.90 0.67 -0.69 -0.68 -1.24 -1.80 1.42 115.58 114.16 2b87 h ASN 6 Ca 0.18 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.92 2b87 h ASN 6 Cb 0.42 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 2b87 h ASN 6 CO 0.01 0.80 0.45 0.50 -1.29 0.00 0.00 177.43 177.90 2b87 h LYS 7 N 0.53 0.89 -0.14 6.67 3.64 0.03 0.34 116.57 128.51 2b87 h LYS 7 Ca 0.12 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 2b87 h LYS 7 Cb 0.44 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2b87 h LYS 7 CO 0.02 0.59 -0.73 1.49 -2.27 0.00 0.00 179.45 178.54 2b87 h GLU 8 N 0.91 0.66 -0.92 1.90 4.81 0.18 0.27 114.58 122.39 2b87 h GLU 8 Ca 0.26 -0.52 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2b87 h GLU 8 Cb -0.08 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2b87 h GLU 8 CO -0.07 1.14 0.61 1.25 -0.73 0.00 0.00 179.01 181.21 2b87 h LEU 9 N 0.46 1.03 -0.06 1.64 5.85 0.26 1.26 115.31 125.75 2b87 h LEU 9 Ca -0.04 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2b87 h LEU 9 Cb 1.33 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.13 2b87 h LEU 9 CO 0.14 0.72 -0.68 1.23 -0.34 0.00 0.00 178.44 179.51 2b87 h GLY 10 N 1.20 0.63 0.60 3.75 0.00 -0.20 -2.79 103.07 106.26 2b87 h GLY 10 Ca 0.35 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 2b87 h GLY 10 CO -0.09 0.88 -0.03 -0.25 0.00 0.00 0.00 176.54 177.04 2b87 h TRP 11 N 0.17 0.12 -0.96 5.60 -0.00 0.62 -0.85 115.95 120.65 2b87 h TRP 11 Ca -0.07 -0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.85 2b87 h TRP 11 Cb 1.35 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 30.42 2b87 h TRP 11 CO 0.12 0.53 0.63 0.00 -0.00 0.00 0.00 178.44 179.71 2b87 h ALA 12 N 0.57 1.45 -0.44 2.65 0.00 0.14 0.52 119.26 124.15 2b87 h ALA 12 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2b87 h ALA 12 Cb 0.50 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2b87 h ALA 12 CO 0.01 0.40 0.15 1.15 0.00 0.00 0.00 179.25 180.97 2b87 h THR 13 N 1.12 0.85 -0.28 0.00 2.02 -1.32 0.77 112.91 116.06 2b87 h THR 13 Ca 0.42 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 2b87 h THR 13 Cb 0.18 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2b87 h THR 13 CO -0.16 0.06 0.04 -0.25 0.37 0.00 0.00 175.52 175.58 2b87 h TRP 14 N 0.32 0.50 -0.84 3.16 2.91 0.59 0.24 115.95 122.84 2b87 h TRP 14 Ca 0.21 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2b87 h TRP 14 Cb 0.21 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2b87 h TRP 14 CO -0.16 0.57 0.53 0.93 -1.03 0.00 0.00 178.44 179.29 2b87 h GLU 15 N 0.29 1.12 -0.22 2.65 5.08 0.39 1.13 114.58 125.03 2b87 h GLU 15 Ca 0.09 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2b87 h GLU 15 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2b87 h GLU 15 CO 0.01 0.76 -0.52 0.82 -1.00 0.00 0.00 179.01 179.08 2b87 h ILE 16 N 1.15 1.31 -0.61 3.13 2.04 -0.70 -1.71 117.51 122.12 2b87 h ILE 16 Ca 0.30 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 2b87 h ILE 16 Cb -0.09 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2b87 h ILE 16 CO -0.06 0.55 0.18 0.15 0.00 0.00 0.00 178.15 178.96 2b87 h PHE 17 N 0.48 0.95 -0.27 1.37 3.57 0.15 -2.55 116.94 120.64 2b87 h PHE 17 Ca 0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2b87 h PHE 17 Cb 1.07 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2b87 h PHE 17 CO 0.05 0.77 0.00 0.09 -2.23 0.00 0.00 178.31 176.99 2b87 n ASN 18 N -4.28 2.18 -4.75 0.41 5.03 0.37 -4.93 115.26 109.30 2b87 n ASN 18 Ca 0.05 -1.83 -0.41 0.00 0.87 0.00 0.00 54.58 53.26 2b87 n ASN 18 Cb 0.22 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.44 4.42 -0.03 3.41 1.43 -0.66 -4.91 118.68 120.90 2b87 s LEU 19 Ca 0.33 2.51 0.04 0.00 -1.03 0.00 0.00 54.13 55.98 2b87 s LEU 19 Cb 0.18 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.94 2b87 s LEU 19 CO 0.26 -0.53 0.93 -0.81 0.23 0.00 0.00 176.35 176.43 2b87 n PRO 20 N 2.02 1.63 0.00 1.29 -0.05 -1.26 -4.10 135.00 134.53 2b87 n PRO 20 Ca 0.04 -0.64 0.00 0.00 -0.05 0.00 0.00 63.50 62.85 2b87 n PRO 20 Cb 0.42 -1.42 0.00 0.00 -0.05 0.00 0.00 33.50 32.45 2b87 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2b87 n ASN 21 N 0.06 0.00 -4.86 3.54 3.02 -1.26 -5.00 115.26 110.76 2b87 n ASN 21 Ca 0.06 -0.80 -0.31 0.00 -0.03 0.00 0.00 54.58 53.49 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 3.98 0.36 3.41 1.43 -1.26 -4.66 118.68 121.94 2b87 s LEU 22 Ca 0.00 1.18 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 2b87 s LEU 22 Cb 0.00 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 2b87 s LEU 22 CO 0.00 -0.27 0.51 0.54 0.23 0.00 0.00 176.35 177.36 2b87 s ASN 23 N -2.64 5.96 0.44 2.29 4.22 -1.26 -4.89 114.94 119.06 2b87 s ASN 23 Ca 0.52 -0.07 0.24 0.00 -2.14 0.00 0.00 52.86 51.41 2b87 s ASN 23 Cb -0.10 -1.32 1.26 0.00 1.28 0.00 0.00 41.25 42.36 2b87 s ASN 23 CO 0.23 -0.48 1.78 1.23 -2.04 0.00 0.00 177.10 177.83 2b87 h GLY 24 N 0.80 0.84 0.34 0.45 0.00 -1.99 -1.07 103.07 102.44 2b87 h GLY 24 Ca -0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 2b87 h GLY 24 CO 0.54 -0.11 -0.07 -2.08 0.00 0.00 0.00 176.54 174.83 2b87 h VAL 25 N 0.26 1.56 -0.59 4.60 2.07 -1.97 -1.43 116.25 120.74 2b87 h VAL 25 Ca 0.59 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2b87 h VAL 25 Cb 1.76 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 34.21 2b87 h VAL 25 CO -0.21 0.46 0.34 1.56 0.02 0.00 0.00 177.57 179.74 2b87 h GLN 26 N -0.64 0.81 -0.34 1.57 4.20 -1.72 0.70 115.11 119.70 2b87 h GLN 26 Ca -0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2b87 h GLN 26 Cb 0.79 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2b87 h GLN 26 CO 0.01 0.60 0.17 0.28 -0.67 0.00 0.00 178.83 179.22 2b87 h VAL 27 N 0.80 1.15 -0.57 -0.54 2.07 -1.33 0.26 116.25 118.09 2b87 h VAL 27 Ca 0.21 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2b87 h VAL 27 Cb 0.01 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2b87 h VAL 27 CO -0.04 0.15 0.36 0.50 0.02 0.00 0.00 177.57 178.57 2b87 h LYS 28 N 0.41 0.76 -0.22 1.57 3.64 -0.68 0.17 116.57 122.23 2b87 h LYS 28 Ca 0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 2b87 h LYS 28 Cb 0.09 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2b87 h LYS 28 CO -0.02 0.51 -0.29 0.00 -2.27 0.00 0.00 179.45 177.38 2b87 h ALA 29 N 1.63 0.33 -0.72 5.00 0.00 0.13 0.38 119.26 126.01 2b87 h ALA 29 Ca 0.21 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2b87 h ALA 29 Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2b87 h ALA 29 CO -0.04 0.35 0.23 0.74 0.00 0.00 0.00 179.25 180.52 2b87 h PHE 30 N 0.27 1.13 -0.31 0.00 0.04 0.01 0.44 116.94 118.52 2b87 h PHE 30 Ca 0.02 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2b87 h PHE 30 Cb 0.87 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 2b87 h PHE 30 CO 0.08 0.89 0.08 0.82 -0.60 0.00 0.00 178.31 179.59 2b87 h ILE 31 N 1.06 1.21 -0.60 -0.55 2.04 -0.49 0.26 117.51 120.44 2b87 h ILE 31 Ca 0.23 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2b87 h ILE 31 Cb 0.28 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2b87 h ILE 31 CO -0.01 0.24 0.33 0.44 0.00 0.00 0.00 178.15 179.14 2b87 h ASP 32 N 0.34 0.48 -0.47 1.72 3.32 0.62 0.21 116.42 122.65 2b87 h ASP 32 Ca 0.10 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2b87 h ASP 32 Cb 0.28 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2b87 h ASP 32 CO -0.00 0.32 0.06 0.28 -1.72 0.00 0.00 179.24 178.18 2b87 h SER 33 N 0.62 0.81 0.25 6.45 0.02 0.14 -0.00 113.55 121.84 2b87 h SER 33 Ca 0.27 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2b87 h SER 33 Cb 0.15 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2b87 h SER 33 CO -0.17 0.84 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.17 2b87 h LEU 34 N 0.80 -0.29 -0.43 5.07 3.38 0.97 0.69 115.31 125.50 2b87 h LEU 34 Ca 0.16 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2b87 h LEU 34 Cb 0.40 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2b87 h LEU 34 CO 0.01 -0.17 0.27 0.03 0.09 0.00 0.00 178.44 178.67 2b87 h ARG 35 N -0.37 0.53 -0.53 1.13 3.08 -0.42 0.12 114.38 117.91 2b87 h ARG 35 Ca -0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2b87 h ARG 35 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2b87 h ARG 35 CO 0.06 0.35 0.15 0.22 -1.07 0.00 0.00 179.97 179.67 2b87 h ASP 36 N 0.54 0.74 -1.81 7.04 3.58 -0.78 -3.39 116.42 122.33 2b87 h ASP 36 Ca 0.16 -0.12 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 2b87 h ASP 36 Cb -0.02 -0.19 -0.29 0.00 1.72 0.00 0.00 39.33 40.54 2b87 h ASP 36 CO -0.06 0.71 -0.59 -0.62 -2.88 0.00 0.00 179.24 175.81 2b87 s ASP 37 N -6.58 0.73 0.33 2.28 -1.08 0.24 -5.02 116.67 107.57 2b87 s ASP 37 Ca -0.10 -0.79 0.13 0.00 -0.52 0.00 0.00 52.55 51.27 2b87 s ASP 37 Cb 0.16 0.90 0.58 0.00 -1.46 0.00 0.00 42.92 43.09 2b87 s ASP 37 CO 0.79 -0.33 1.73 -0.65 0.52 0.00 0.00 175.17 177.24 2b87 h PRO 38 N 7.83 0.00 0.00 4.34 0.11 -0.98 -2.56 132.00 140.74 2b87 h PRO 38 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 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 0.25 0.47 -0.09 1.03 -0.21 0.00 0.00 178.00 179.46 2b87 h SER 39 N 0.00 0.00 0.14 -2.05 0.87 -1.91 0.11 113.55 110.71 2b87 h SER 39 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b87 h SER 39 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2b87 h SER 39 CO 0.06 0.09 -0.05 0.00 -0.53 0.00 0.00 176.83 176.40 2b87 n GLN 40 N -4.23 1.09 -0.32 2.24 3.00 -0.97 -4.20 117.38 114.00 2b87 n GLN 40 Ca -0.03 -0.42 0.19 0.00 -0.01 0.00 0.00 57.00 56.73 2b87 n GLN 40 Cb 0.17 -1.49 0.45 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 1.03 0.54 -0.56 1.08 4.64 -0.76 0.57 113.55 120.10 2b87 h SER 41 Ca 0.00 0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 2b87 h SER 41 Cb 0.32 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2b87 h SER 41 CO 0.00 0.15 -0.07 0.00 -0.87 0.00 0.00 176.83 176.04 2b87 h ALA 42 N 1.63 0.81 -0.25 5.18 0.00 -1.78 0.79 119.26 125.64 2b87 h ALA 42 Ca 0.57 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2b87 h ALA 42 Cb 1.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2b87 h ALA 42 CO -0.31 0.67 -0.30 -0.91 0.00 0.00 0.00 179.25 178.40 2b87 h ASN 43 N 0.93 0.51 0.17 0.00 2.35 -0.33 0.30 115.58 119.51 2b87 h ASN 43 Ca 0.15 -0.19 -0.21 0.00 -0.55 0.00 0.00 56.30 55.50 2b87 h ASN 43 Cb 0.63 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2b87 h ASN 43 CO 0.04 0.79 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.73 2b87 h LEU 44 N 0.43 0.63 -0.81 1.61 3.38 -0.24 0.57 115.31 120.88 2b87 h LEU 44 Ca 0.06 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2b87 h LEU 44 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2b87 h LEU 44 CO 0.06 1.21 0.01 0.25 0.09 0.00 0.00 178.44 180.07 2b87 h LEU 45 N 0.33 0.88 -0.28 1.67 5.85 -0.60 0.71 115.31 123.88 2b87 h LEU 45 Ca -0.06 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2b87 h LEU 45 Cb 1.43 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2b87 h LEU 45 CO 0.15 0.93 0.02 0.00 -0.34 0.00 0.00 178.44 179.20 2b87 h ALA 46 N 1.16 0.37 -0.55 1.25 0.00 0.17 0.30 119.26 121.96 2b87 h ALA 46 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2b87 h ALA 46 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2b87 h ALA 46 CO 0.02 0.09 0.15 0.93 0.00 0.00 0.00 179.25 180.44 2b87 h GLU 47 N 0.28 0.83 -0.16 0.00 4.39 0.64 0.13 114.58 120.68 2b87 h GLU 47 Ca 0.08 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2b87 h GLU 47 Cb 0.38 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2b87 h GLU 47 CO 0.01 0.73 -0.08 0.00 -1.16 0.00 0.00 179.01 178.52 2b87 h ALA 48 N 1.36 0.23 -0.22 3.43 0.00 0.80 0.74 119.26 125.60 2b87 h ALA 48 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2b87 h ALA 48 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b87 h ALA 48 CO -0.01 0.03 0.15 0.87 0.00 0.00 0.00 179.25 180.30 2b87 h LYS 49 N 0.01 0.15 -0.04 0.00 1.79 0.03 1.07 116.57 119.59 2b87 h LYS 49 Ca 0.04 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.32 2b87 h LYS 49 Cb 0.55 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2b87 h LYS 49 CO 0.02 0.10 -0.69 -0.22 -1.08 0.00 0.00 179.45 177.59 2b87 h LYS 50 N 0.16 0.53 -0.26 3.15 3.64 -0.11 -0.40 116.57 123.27 2b87 h LYS 50 Ca 0.09 -0.52 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 2b87 h LYS 50 Cb 0.18 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2b87 h LYS 50 CO -0.01 1.15 -0.25 -0.07 -2.27 0.00 0.00 179.45 178.00 2b87 h LEU 51 N 0.11 0.67 -0.49 5.20 -0.00 0.20 0.38 115.31 121.38 2b87 h LEU 51 Ca -0.08 -0.47 -0.05 0.00 -0.00 0.00 0.00 57.88 57.29 2b87 h LEU 51 Cb 1.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2b87 h LEU 51 CO 0.14 1.00 0.10 -0.55 -0.00 0.00 0.00 178.44 179.13 2b87 h ASN 52 N 0.36 0.75 -0.77 -0.43 -1.07 0.10 0.32 115.58 114.85 2b87 h ASN 52 Ca 0.04 -0.25 -0.04 0.00 0.07 0.00 0.00 56.30 56.12 2b87 h ASN 52 Cb 0.80 -0.20 -0.03 0.00 -2.07 0.00 0.00 38.32 36.82 2b87 h ASN 52 CO 0.06 0.81 0.31 -0.78 0.07 0.00 0.00 177.43 177.90 2b87 h ASP 53 N 0.67 1.07 -0.51 6.14 3.58 -0.93 0.64 116.42 127.07 2b87 h ASP 53 Ca 0.15 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 2b87 h ASP 53 Cb 0.36 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2b87 h ASP 53 CO 0.01 0.95 0.06 0.00 -2.88 0.00 0.00 179.24 177.38 2b87 h ALA 54 N 1.20 1.06 -0.35 -0.78 0.00 0.23 -1.43 119.26 119.19 2b87 h ALA 54 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b87 h ALA 54 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2b87 h ALA 54 CO -0.02 0.60 0.00 1.04 0.00 0.00 0.00 179.25 180.87 2b87 n GLN 55 N -4.22 1.85 -0.97 0.00 6.02 0.11 -4.94 117.38 115.22 2b87 n GLN 55 Ca 0.03 -1.31 -0.30 0.00 -0.01 0.00 0.00 57.00 55.41 2b87 n GLN 55 Cb 0.28 -1.30 0.15 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.54 1.37 -0.06 -1.58 0.00 0.21 -4.85 121.76 115.31 2b87 s ALA 56 Ca 0.26 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 2b87 s ALA 56 Cb 0.13 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 20.01 2b87 s ALA 56 CO 0.18 -2.57 1.83 -2.30 0.00 0.00 0.00 175.76 172.89 2b87 n PRO 57 N -4.07 1.16 0.00 0.00 -0.02 -1.26 -5.04 135.00 125.77 2b87 n PRO 57 Ca 0.08 -0.32 0.05 0.00 -2.02 0.00 0.00 63.50 61.30 2b87 n PRO 57 Cb 0.54 -1.12 0.31 0.00 -0.02 0.00 0.00 33.50 33.20 2b87 n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11