#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b88 h ASP 2 N 0.00 0.79 -3.59 6.55 2.03 -2.12 -3.38 116.42 116.70 2b88 h ASP 2 Ca 0.00 -0.02 -0.66 0.00 -0.73 0.00 0.00 57.03 55.63 2b88 h ASP 2 Cb 0.00 -0.19 -0.16 0.00 -0.83 0.00 0.00 39.33 38.15 2b88 h ASP 2 CO 0.00 0.56 -0.03 0.54 -1.03 0.00 0.00 179.24 179.28 2b88 s ASN 3 N -6.38 6.30 -0.03 4.15 4.22 -1.26 -5.06 114.94 116.89 2b88 s ASN 3 Ca -0.10 -0.23 -0.15 0.00 -2.14 0.00 0.00 52.86 50.24 2b88 s ASN 3 Cb 0.18 -2.27 -0.05 0.00 1.28 0.00 0.00 41.25 40.38 2b88 s ASN 3 CO 0.77 -0.58 0.41 -0.54 -2.04 0.00 0.00 177.10 175.12 2b88 s LYS 4 N 2.46 4.00 0.27 3.55 3.01 -1.26 -4.96 119.74 126.82 2b88 s LYS 4 Ca 0.19 0.40 0.24 0.00 -1.01 0.00 0.00 55.97 55.78 2b88 s LYS 4 Cb -0.15 -3.26 1.01 0.00 -1.01 0.00 0.00 37.83 34.41 2b88 s LYS 4 CO 0.15 0.59 1.72 1.97 0.51 0.00 0.00 175.35 180.29 2b88 n PHE 5 N 2.19 0.84 -0.00 3.18 -1.74 -1.26 -2.77 117.46 117.90 2b88 n PHE 5 Ca -0.13 0.34 0.20 0.00 -0.56 0.00 0.00 57.45 57.30 2b88 n PHE 5 Cb 0.52 -1.04 0.68 0.00 1.52 0.00 0.00 39.48 41.16 2b88 n PHE 5 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 2b88 h ASN 6 N 0.00 0.01 -0.69 5.98 -0.26 -2.01 0.05 115.58 118.67 2b88 h ASN 6 Ca 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.80 2b88 h ASN 6 Cb 0.35 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.57 2b88 h ASN 6 CO 0.00 0.01 0.45 0.11 -1.06 0.00 0.00 177.43 176.94 2b88 h LYS 7 N 0.01 0.70 -0.16 0.81 1.57 -1.95 -0.36 116.57 117.20 2b88 h LYS 7 Ca 0.25 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2b88 h LYS 7 Cb 1.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2b88 h LYS 7 CO -0.01 0.46 -0.15 1.49 -0.57 0.00 0.00 179.45 180.68 2b88 h GLU 8 N 0.72 0.26 -0.07 3.15 4.57 -1.22 -0.10 114.58 121.90 2b88 h GLU 8 Ca 0.29 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.28 2b88 h GLU 8 Cb 0.23 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2b88 h GLU 8 CO -0.09 0.42 -0.53 -0.07 -1.18 0.00 0.00 179.01 177.55 2b88 h LEU 9 N 0.25 0.22 -0.47 1.64 4.07 -1.12 -2.02 115.31 117.87 2b88 h LEU 9 Ca 0.05 -0.12 -0.15 0.00 0.08 0.00 0.00 57.88 57.74 2b88 h LEU 9 Cb 0.42 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 2b88 h LEU 9 CO 0.03 0.72 -0.73 1.23 -1.08 0.00 0.00 178.44 178.60 2b88 h GLY 10 N 1.42 0.00 0.94 0.83 0.00 -1.02 -2.40 103.07 102.84 2b88 h GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2b88 h GLY 10 CO 0.08 0.00 -0.19 -0.25 0.00 0.00 0.00 176.54 176.18 2b88 h TRP 11 N 0.00 -0.50 -0.06 5.60 7.01 -0.49 -2.82 115.95 124.69 2b88 h TRP 11 Ca -0.01 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.85 2b88 h TRP 11 Cb 1.33 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.54 2b88 h TRP 11 CO 0.00 -0.27 -0.54 0.00 -2.79 0.00 0.00 178.44 174.83 2b88 h ALA 12 N -0.04 0.98 -0.18 2.65 0.00 -1.42 -2.85 119.26 118.39 2b88 h ALA 12 Ca -0.06 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2b88 h ALA 12 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2b88 h ALA 12 CO 0.09 0.69 0.05 1.15 0.00 0.00 0.00 179.25 181.23 2b88 h THR 13 N 0.13 0.95 -0.36 0.00 2.02 -1.32 0.18 112.91 114.51 2b88 h THR 13 Ca -0.00 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 2b88 h THR 13 Cb 1.00 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2b88 h THR 13 CO 0.08 0.02 -0.40 -0.25 0.37 0.00 0.00 175.52 175.35 2b88 h TRP 14 N 0.13 1.08 -0.32 3.16 7.01 -1.56 -0.49 115.95 124.96 2b88 h TRP 14 Ca 0.08 -0.33 0.03 0.00 2.11 0.00 0.00 58.89 60.78 2b88 h TRP 14 Cb 0.06 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 2b88 h TRP 14 CO -0.12 1.14 0.14 0.93 -2.79 0.00 0.00 178.44 177.74 2b88 h GLU 15 N 0.73 0.29 -0.40 2.65 4.39 -1.19 0.25 114.58 121.30 2b88 h GLU 15 Ca 0.06 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 2b88 h GLU 15 Cb 0.98 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2b88 h GLU 15 CO 0.10 0.19 -0.09 0.82 -1.16 0.00 0.00 179.01 178.87 2b88 h ILE 16 N 0.29 1.27 0.00 3.13 2.04 -0.66 -2.00 117.51 121.59 2b88 h ILE 16 Ca 0.14 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2b88 h ILE 16 Cb 0.08 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2b88 h ILE 16 CO -0.12 0.39 0.00 -0.26 0.00 0.00 0.00 178.15 178.16 2b88 h PHE 17 N 0.58 0.00 -0.89 1.37 0.04 -0.56 -2.71 116.94 114.77 2b88 h PHE 17 Ca 0.10 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.36 2b88 h PHE 17 Cb 0.61 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.55 2b88 h PHE 17 CO 0.05 0.00 0.64 0.09 -0.60 0.00 0.00 178.31 178.49 2b88 n ASN 18 N -2.89 7.01 -4.72 2.17 5.03 0.83 -4.92 115.26 117.77 2b88 n ASN 18 Ca -0.01 -3.41 -0.33 0.00 0.87 0.00 0.00 54.58 51.69 2b88 n ASN 18 Cb 0.15 -1.06 -0.08 0.00 -1.02 0.00 0.00 39.78 37.77 2b88 n ASN 18 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2b88 s LEU 19 N -2.79 3.69 0.48 3.41 1.43 -1.02 -5.01 118.68 118.87 2b88 s LEU 19 Ca 0.49 0.08 0.33 0.00 -1.03 0.00 0.00 54.13 54.00 2b88 s LEU 19 Cb 0.38 -2.08 1.63 0.00 0.03 0.00 0.00 46.19 46.14 2b88 s LEU 19 CO -0.08 0.30 1.99 1.55 0.23 0.00 0.00 176.35 180.34 2b88 h PRO 20 N 4.39 0.00 0.00 1.29 0.14 -1.91 -3.32 132.00 132.59 2b88 h PRO 20 Ca -0.49 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 2b88 h PRO 20 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 2b88 h PRO 20 CO 0.59 0.00 -0.08 0.09 0.14 0.00 0.00 178.00 178.74 2b88 n ASN 21 N -2.72 0.05 -4.79 1.44 3.02 -1.26 -5.00 115.26 105.99 2b88 n ASN 21 Ca -0.01 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 53.05 2b88 n ASN 21 Cb 0.14 -0.03 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2b88 n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b88 s LEU 22 N -0.03 2.83 0.20 3.41 1.43 -1.25 -4.75 118.68 120.52 2b88 s LEU 22 Ca 0.00 1.52 0.08 0.00 -1.03 0.00 0.00 54.13 54.70 2b88 s LEU 22 Cb 0.00 -4.23 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 2b88 s LEU 22 CO 0.00 -1.86 -0.14 0.54 0.23 0.00 0.00 176.35 175.12 2b88 s ASN 23 N -3.73 2.55 0.55 2.29 2.20 -1.26 -4.98 114.94 112.56 2b88 s ASN 23 Ca 0.60 -1.01 0.37 0.00 -0.94 0.00 0.00 52.86 51.87 2b88 s ASN 23 Cb -0.15 -0.13 1.54 0.00 -2.00 0.00 0.00 41.25 40.51 2b88 s ASN 23 CO 0.55 -0.17 1.79 1.23 -2.94 0.00 0.00 177.10 177.56 2b88 h GLY 24 N 2.59 0.00 0.35 0.45 0.00 -1.99 -0.24 103.07 104.24 2b88 h GLY 24 Ca -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2b88 h GLY 24 CO 0.62 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 175.06 2b88 h VAL 25 N 0.00 1.40 -0.45 4.60 2.07 -1.98 -2.18 116.25 119.71 2b88 h VAL 25 Ca 0.55 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2b88 h VAL 25 Cb 2.27 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 34.38 2b88 h VAL 25 CO -0.01 0.36 0.03 1.56 0.02 0.00 0.00 177.57 179.54 2b88 h GLN 26 N -0.68 0.77 -0.12 1.57 4.20 -1.60 -1.10 115.11 118.14 2b88 h GLN 26 Ca -0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2b88 h GLN 26 Cb 0.63 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2b88 h GLN 26 CO 0.01 0.81 0.06 0.28 -0.67 0.00 0.00 178.83 179.32 2b88 h VAL 27 N 0.62 1.10 -0.69 -0.54 2.07 -1.21 -1.73 116.25 115.87 2b88 h VAL 27 Ca 0.13 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2b88 h VAL 27 Cb 0.45 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2b88 h VAL 27 CO 0.02 0.09 0.46 0.11 0.02 0.00 0.00 177.57 178.27 2b88 h LYS 28 N 0.09 0.56 -0.74 1.57 1.79 -1.29 0.12 116.57 118.67 2b88 h LYS 28 Ca 0.04 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2b88 h LYS 28 Cb 0.09 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2b88 h LYS 28 CO -0.01 0.37 0.40 0.00 -1.08 0.00 0.00 179.45 179.13 2b88 h ALA 29 N 1.65 0.95 -0.17 3.86 0.00 -0.33 1.86 119.26 127.09 2b88 h ALA 29 Ca 0.32 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 2b88 h ALA 29 Cb 0.47 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2b88 h ALA 29 CO -0.11 0.48 -0.73 0.74 0.00 0.00 0.00 179.25 179.64 2b88 h PHE 30 N 1.03 1.05 -0.18 0.00 0.04 -0.44 -1.24 116.94 117.21 2b88 h PHE 30 Ca 0.26 -0.45 -0.09 0.00 2.80 0.00 0.00 57.97 60.49 2b88 h PHE 30 Cb 0.05 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2b88 h PHE 30 CO 0.00 1.28 -0.29 0.82 -0.60 0.00 0.00 178.31 179.53 2b88 h ILE 31 N 0.52 1.26 -0.79 -0.55 2.04 -0.51 0.47 117.51 119.96 2b88 h ILE 31 Ca -0.04 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 2b88 h ILE 31 Cb 1.36 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 2b88 h ILE 31 CO 0.15 0.39 0.34 0.44 0.00 0.00 0.00 178.15 179.47 2b88 h ASP 32 N 0.30 1.06 0.38 1.72 3.32 0.32 -0.89 116.42 122.62 2b88 h ASP 32 Ca 0.04 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2b88 h ASP 32 Cb 0.66 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2b88 h ASP 32 CO 0.05 0.92 -0.38 0.28 -1.72 0.00 0.00 179.24 178.38 2b88 h SER 33 N 1.13 0.00 -0.54 6.45 0.02 -0.18 -2.69 113.55 117.75 2b88 h SER 33 Ca 0.27 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2b88 h SER 33 Cb 0.17 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 2b88 h SER 33 CO -0.03 0.39 0.28 -0.07 -1.14 0.00 0.00 176.83 176.26 2b88 h LEU 34 N 0.00 0.42 -0.55 5.07 -0.00 0.50 0.46 115.31 121.21 2b88 h LEU 34 Ca -0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.82 2b88 h LEU 34 Cb 0.68 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2b88 h LEU 34 CO 0.05 0.28 0.01 0.03 -0.00 0.00 0.00 178.44 178.81 2b88 h ARG 35 N 0.55 0.97 -0.26 1.13 3.08 -1.26 0.85 114.38 119.44 2b88 h ARG 35 Ca 0.24 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2b88 h ARG 35 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2b88 h ARG 35 CO -0.15 0.97 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.17 2b88 h ASP 36 N 0.86 0.41 -1.04 7.04 3.32 -1.03 -3.40 116.42 122.57 2b88 h ASP 36 Ca 0.16 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2b88 h ASP 36 Cb 0.53 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 39.76 2b88 h ASP 36 CO 0.03 0.55 -0.37 -0.62 -1.72 0.00 0.00 179.24 177.10 2b88 s ASP 37 N -6.80 -1.49 0.47 6.45 -1.08 0.16 -5.03 116.67 109.35 2b88 s ASP 37 Ca -0.07 0.26 0.27 0.00 -0.52 0.00 0.00 52.55 52.50 2b88 s ASP 37 Cb 0.15 2.01 0.77 0.00 -1.46 0.00 0.00 42.92 44.39 2b88 s ASP 37 CO 0.76 -0.30 1.76 -0.65 0.52 0.00 0.00 175.17 177.27 2b88 h PRO 38 N 8.01 0.00 0.00 4.34 0.11 -1.05 -3.19 132.00 140.22 2b88 h PRO 38 Ca -0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 2b88 h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2b88 h PRO 38 CO 0.17 0.00 -0.35 1.03 -0.21 0.00 0.00 178.00 178.65 2b88 h SER 39 N 0.00 0.00 -0.61 -2.05 0.87 -1.94 -3.02 113.55 106.80 2b88 h SER 39 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b88 h SER 39 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2b88 h SER 39 CO 0.00 0.35 0.00 0.00 -0.53 0.00 0.00 176.83 176.65 2b88 n GLN 40 N -3.61 3.46 -0.38 2.24 10.64 -1.20 -4.59 117.38 123.94 2b88 n GLN 40 Ca -0.01 -2.63 0.31 0.00 -1.83 0.00 0.00 57.00 52.84 2b88 n GLN 40 Cb 0.47 -1.83 0.58 0.00 -0.86 0.00 0.00 30.24 28.60 2b88 n GLN 40 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2b88 h SER 41 N 3.83 0.35 0.43 2.61 4.64 -1.66 1.53 113.55 125.27 2b88 h SER 41 Ca 0.00 0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 2b88 h SER 41 Cb 1.33 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 2b88 h SER 41 CO 0.20 -0.22 -0.51 0.00 -0.87 0.00 0.00 176.83 175.43 2b88 h ALA 42 N 1.77 1.09 -0.21 5.18 0.00 -1.88 -0.60 119.26 124.61 2b88 h ALA 42 Ca 0.79 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2b88 h ALA 42 Cb 2.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 2b88 h ALA 42 CO -0.55 0.65 -0.56 -0.97 0.00 0.00 0.00 179.25 177.82 2b88 h ASN 43 N 0.07 0.70 -0.38 0.00 -0.73 0.18 0.34 115.58 115.76 2b88 h ASN 43 Ca -0.00 -0.38 -0.08 0.00 1.87 0.00 0.00 56.30 57.71 2b88 h ASN 43 Cb 0.93 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 2b88 h ASN 43 CO 0.07 1.11 -0.05 -0.07 -0.37 0.00 0.00 177.43 178.13 2b88 h LEU 44 N 0.48 0.77 -0.57 0.34 3.38 -0.86 1.05 115.31 119.90 2b88 h LEU 44 Ca 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2b88 h LEU 44 Cb 1.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2b88 h LEU 44 CO 0.11 0.86 0.20 -0.07 0.09 0.00 0.00 178.44 179.63 2b88 h LEU 45 N 0.73 0.82 -0.24 1.67 -0.00 -0.69 0.88 115.31 118.47 2b88 h LEU 45 Ca 0.13 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2b88 h LEU 45 Cb 0.51 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2b88 h LEU 45 CO 0.03 0.79 0.12 0.00 -0.00 0.00 0.00 178.44 179.37 2b88 h ALA 46 N 1.06 0.31 -0.09 1.53 0.00 0.19 0.33 119.26 122.58 2b88 h ALA 46 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2b88 h ALA 46 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2b88 h ALA 46 CO -0.01 -0.14 -0.30 0.93 0.00 0.00 0.00 179.25 179.74 2b88 h GLU 47 N 0.26 0.16 -0.27 0.00 4.39 0.13 -0.83 114.58 118.43 2b88 h GLU 47 Ca 0.08 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2b88 h GLU 47 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2b88 h GLU 47 CO -0.01 0.45 -0.05 0.00 -1.16 0.00 0.00 179.01 178.24 2b88 h ALA 48 N 1.55 0.37 -0.64 3.43 0.00 0.18 0.51 119.26 124.66 2b88 h ALA 48 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2b88 h ALA 48 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2b88 h ALA 48 CO 0.04 0.16 0.33 0.87 0.00 0.00 0.00 179.25 180.65 2b88 h LYS 49 N 0.26 0.89 -0.56 0.00 1.57 0.00 0.83 116.57 119.55 2b88 h LYS 49 Ca 0.07 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2b88 h LYS 49 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2b88 h LYS 49 CO 0.02 0.67 0.13 0.87 -0.57 0.00 0.00 179.45 180.57 2b88 h LYS 50 N 0.89 0.91 -0.25 3.15 1.57 -0.63 0.88 116.57 123.09 2b88 h LYS 50 Ca 0.22 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2b88 h LYS 50 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2b88 h LYS 50 CO -0.03 0.85 -0.50 -0.07 -0.57 0.00 0.00 179.45 179.13 2b88 h LEU 51 N 0.81 0.87 -0.47 2.94 3.38 0.13 -0.70 115.31 122.28 2b88 h LEU 51 Ca 0.18 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 2b88 h LEU 51 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2b88 h LEU 51 CO 0.00 1.25 -0.03 -0.55 0.09 0.00 0.00 178.44 179.20 2b88 h ASN 52 N 0.52 0.83 -1.00 -0.43 -1.07 0.79 0.17 115.58 115.40 2b88 h ASN 52 Ca 0.01 -0.32 0.02 0.00 0.07 0.00 0.00 56.30 56.07 2b88 h ASN 52 Cb 1.11 -0.23 -0.05 0.00 -2.07 0.00 0.00 38.32 37.08 2b88 h ASN 52 CO 0.11 0.96 0.66 -0.78 0.07 0.00 0.00 177.43 178.45 2b88 h ASP 53 N 0.69 1.14 -0.19 6.14 3.58 0.86 0.89 116.42 129.52 2b88 h ASP 53 Ca 0.13 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2b88 h ASP 53 Cb 0.55 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2b88 h ASP 53 CO 0.03 0.81 -0.14 0.00 -2.88 0.00 0.00 179.24 177.06 2b88 h ALA 54 N 1.39 1.13 -0.00 -0.78 0.00 -0.66 -1.55 119.26 118.78 2b88 h ALA 54 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2b88 h ALA 54 Cb -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2b88 h ALA 54 CO -0.09 0.54 -0.15 1.04 0.00 0.00 0.00 179.25 180.60 2b88 n GLN 55 N -4.17 0.36 -2.02 0.00 6.02 0.57 -4.86 117.38 113.28 2b88 n GLN 55 Ca 0.01 -0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.59 2b88 n GLN 55 Cb 0.35 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.15 2b88 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b88 s ALA 56 N -2.72 3.04 0.59 -1.58 0.00 0.29 -4.88 121.76 116.50 2b88 s ALA 56 Ca 0.22 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2b88 s ALA 56 Cb 0.19 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2b88 s ALA 56 CO 0.53 -0.94 1.08 -1.25 0.00 0.00 0.00 175.76 175.19 2b88 s PRO 57 N -5.22 3.25 0.00 0.00 0.05 -1.26 -4.97 135.00 126.85 2b88 s PRO 57 Ca 0.56 1.36 0.00 0.00 0.05 0.00 0.00 61.00 62.97 2b88 s PRO 57 Cb -0.11 -2.01 0.00 0.00 0.05 0.00 0.00 34.50 32.43 2b88 s PRO 57 CO 0.51 -0.88 0.00 1.63 0.05 0.00 0.00 177.00 178.30