#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8i s ARG 2 N 0.00 4.02 0.54 9.51 0.52 -1.26 -4.96 118.95 127.33 2b8i s ARG 2 Ca 0.00 1.01 0.28 0.00 -0.52 0.00 0.00 55.73 56.50 2b8i s ARG 2 Cb 0.00 -2.15 1.45 0.00 0.52 0.00 0.00 34.95 34.77 2b8i s ARG 2 CO 0.00 -0.21 1.95 -1.00 0.02 0.00 0.00 175.30 176.06 2b8i h PRO 3 N 1.20 0.00 0.00 3.54 0.13 -2.06 -1.41 132.00 133.40 2b8i h PRO 3 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2b8i h PRO 3 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2b8i h PRO 3 CO 0.61 0.00 -0.37 -0.92 -0.23 0.00 0.00 178.00 177.09 2b8i h TYR 4 N 0.00 0.00 -0.23 1.56 3.20 -2.01 -2.91 116.97 116.58 2b8i h TYR 4 Ca 0.30 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2b8i h TYR 4 Cb 1.27 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 2b8i h TYR 4 CO 0.00 0.37 0.15 1.98 -1.64 0.00 0.00 178.16 179.02 2b8i h MET 5 N 0.00 0.29 -0.24 1.82 4.05 -1.63 -1.95 114.93 117.28 2b8i h MET 5 Ca -0.00 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 2b8i h MET 5 Cb 0.67 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2b8i h MET 5 CO 0.05 0.19 -0.03 -0.22 0.23 0.00 0.00 176.91 177.13 2b8i h LYS 6 N 0.30 0.44 -0.93 0.39 3.64 -1.66 -1.37 116.57 117.39 2b8i h LYS 6 Ca 0.09 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2b8i h LYS 6 Cb -0.02 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 2b8i h LYS 6 CO -0.02 0.65 0.61 0.00 -2.27 0.00 0.00 179.45 178.42 2b8i h ALA 7 N 0.78 1.20 -0.24 5.00 0.00 -1.49 -0.10 119.26 124.41 2b8i h ALA 7 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2b8i h ALA 7 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2b8i h ALA 7 CO 0.02 0.52 0.07 1.25 0.00 0.00 0.00 179.25 181.11 2b8i h LEU 8 N 1.21 0.35 -0.33 0.00 5.85 -1.23 -0.89 115.31 120.28 2b8i h LEU 8 Ca 0.35 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2b8i h LEU 8 Cb -0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2b8i h LEU 8 CO -0.10 0.47 0.16 0.40 -0.34 0.00 0.00 178.44 179.04 2b8i h ILE 9 N 0.21 1.16 -0.26 4.05 2.04 -0.88 -1.07 117.51 122.75 2b8i h ILE 9 Ca 0.08 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2b8i h ILE 9 Cb 0.25 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2b8i h ILE 9 CO -0.00 0.16 0.00 0.22 0.00 0.00 0.00 178.15 178.54 2b8i h TYR 10 N 0.40 -0.01 -0.83 1.37 5.03 -0.87 -0.43 116.97 121.64 2b8i h TYR 10 Ca 0.11 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.45 2b8i h TYR 10 Cb 0.11 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.39 2b8i h TYR 10 CO -0.02 -0.04 0.55 1.49 -1.32 0.00 0.00 178.16 178.82 2b8i h GLU 11 N 0.08 1.09 -0.58 1.82 4.57 -0.99 -1.72 114.58 118.85 2b8i h GLU 11 Ca 0.12 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 2b8i h GLU 11 Cb 0.16 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2b8i h GLU 11 CO -0.20 0.72 -0.03 1.15 -1.18 0.00 0.00 179.01 179.46 2b8i h THR 12 N 1.12 1.27 -0.66 0.32 2.02 -0.21 -1.42 112.91 115.36 2b8i h THR 12 Ca 0.30 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 2b8i h THR 12 Cb -0.13 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2b8i h THR 12 CO -0.07 0.43 0.07 -0.07 0.37 0.00 0.00 175.52 176.25 2b8i h LEU 13 N 0.95 1.07 -0.82 2.58 3.38 -0.53 -0.16 115.31 121.79 2b8i h LEU 13 Ca 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2b8i h LEU 13 Cb 0.60 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2b8i h LEU 13 CO 0.04 1.08 0.49 0.58 0.09 0.00 0.00 178.44 180.72 2b8i h VAL 14 N 1.03 1.23 -0.52 1.22 2.07 -1.08 -0.01 116.25 120.18 2b8i h VAL 14 Ca 0.19 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2b8i h VAL 14 Cb 0.49 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2b8i h VAL 14 CO 0.02 0.24 -0.12 0.78 0.02 0.00 0.00 177.57 178.51 2b8i h ASN 15 N 1.12 1.01 -0.15 0.57 2.35 -0.82 -1.27 115.58 118.40 2b8i h ASN 15 Ca 0.29 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 2b8i h ASN 15 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2b8i h ASN 15 CO -0.05 1.14 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.59 2b8i h LEU 16 N 0.88 0.57 -0.35 1.61 3.38 -0.68 0.24 115.31 120.95 2b8i h LEU 16 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2b8i h LEU 16 Cb 0.69 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2b8i h LEU 16 CO 0.05 0.78 -0.17 0.00 0.09 0.00 0.00 178.44 179.19 2b8i h ALA 17 N 1.27 0.91 -0.00 1.53 0.00 -0.79 -3.36 119.26 118.82 2b8i h ALA 17 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2b8i h ALA 17 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2b8i h ALA 17 CO 0.05 0.21 -0.05 0.09 0.00 0.00 0.00 179.25 179.55 2b8i n ASN 18 N -3.18 0.62 -4.96 0.00 4.13 -0.50 -4.92 115.26 106.46 2b8i n ASN 18 Ca 0.02 -0.81 -0.22 0.00 1.68 0.00 0.00 54.58 55.25 2b8i n ASN 18 Cb 0.54 0.51 -0.01 0.00 -1.54 0.00 0.00 39.78 39.28 2b8i n ASN 18 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2b8i s GLN 19 N -0.70 3.41 0.21 3.52 -1.52 0.81 -5.05 119.66 120.35 2b8i s GLN 19 Ca 0.02 -0.59 -0.32 0.00 -1.95 0.00 0.00 55.36 52.52 2b8i s GLN 19 Cb 0.02 -2.77 -0.12 0.00 -0.22 0.00 0.00 33.01 29.92 2b8i s GLN 19 CO 0.05 0.24 1.68 0.34 -0.25 0.00 0.00 175.29 177.36 2b8i s ASP 20 N -4.03 6.42 0.58 5.90 3.68 -1.26 -4.85 116.67 123.11 2b8i s ASP 20 Ca 0.38 2.82 0.31 0.00 2.13 0.00 0.00 52.55 58.20 2b8i s ASP 20 Cb -0.09 -2.60 1.39 0.00 -1.45 0.00 0.00 42.92 40.17 2b8i s ASP 20 CO 0.33 -0.94 1.74 -0.65 0.13 0.00 0.00 175.17 175.78 2b8i h PRO 21 N 6.66 0.00 -0.86 4.34 0.11 -1.96 -1.21 132.00 139.08 2b8i h PRO 21 Ca -0.43 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.84 2b8i h PRO 21 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2b8i h PRO 21 CO 0.94 0.00 0.56 1.49 -0.21 0.00 0.00 178.00 180.78 2b8i h GLU 22 N 0.00 0.54 -0.64 1.05 4.57 -2.02 -1.66 114.58 116.43 2b8i h GLU 22 Ca 0.38 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2b8i h GLU 22 Cb 1.89 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 2b8i h GLU 22 CO -0.00 0.36 0.00 0.00 -1.18 0.00 0.00 179.01 178.19 2b8i n GLN 23 N -4.54 2.67 -0.20 1.92 0.00 -0.46 -4.53 117.38 112.25 2b8i n GLN 23 Ca 0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 57.00 54.56 2b8i n GLN 23 Cb 0.54 -1.55 0.05 0.00 0.00 0.00 0.00 30.24 29.27 2b8i n GLN 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2b8i h HIS 24 N 4.33 0.66 -0.63 2.61 3.86 -1.39 -0.11 115.15 124.47 2b8i h HIS 24 Ca 0.00 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2b8i h HIS 24 Cb 0.99 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 2b8i h HIS 24 CO 0.42 0.39 0.36 0.00 0.86 0.00 0.00 177.93 179.96 2b8i h ALA 25 N 1.24 0.84 -0.16 2.45 0.00 -1.80 0.36 119.26 122.19 2b8i h ALA 25 Ca 0.23 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2b8i h ALA 25 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2b8i h ALA 25 CO -0.09 0.05 -0.58 1.15 0.00 0.00 0.00 179.25 179.78 2b8i h THR 26 N 0.68 1.33 -0.57 0.00 2.02 -1.81 -1.48 112.91 113.08 2b8i h THR 26 Ca 0.28 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 2b8i h THR 26 Cb 0.13 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2b8i h THR 26 CO -0.16 0.57 0.23 0.40 0.37 0.00 0.00 175.52 176.93 2b8i h ILE 27 N 0.40 1.23 -0.01 3.11 2.04 -0.44 -1.28 117.51 122.55 2b8i h ILE 27 Ca 0.00 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 2b8i h ILE 27 Cb 1.13 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2b8i h ILE 27 CO 0.11 0.27 -0.00 0.03 0.00 0.00 0.00 178.15 178.56 2b8i h ARG 28 N 0.79 0.02 -0.28 2.37 3.08 -0.83 -2.99 114.38 116.54 2b8i h ARG 28 Ca 0.19 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2b8i h ARG 28 Cb 0.21 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2b8i h ARG 28 CO -0.01 0.33 0.04 0.37 -1.07 0.00 0.00 179.97 179.63 2b8i h GLN 29 N -0.30 0.40 -0.23 0.04 5.75 -1.22 -2.18 115.11 117.37 2b8i h GLN 29 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2b8i h GLN 29 Cb 0.32 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2b8i h GLN 29 CO 0.00 0.39 0.14 -0.97 -2.65 0.00 0.00 178.83 175.74 2b8i h ASN 30 N 0.40 0.23 -0.52 -0.69 -0.00 -1.19 -0.00 115.58 113.79 2b8i h ASN 30 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 2b8i h ASN 30 Cb 0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 38.32 38.44 2b8i h ASN 30 CO -0.00 0.17 0.23 0.25 -0.00 0.00 0.00 177.43 178.08 2b8i h LEU 31 N 0.28 0.74 -0.82 0.34 5.85 -1.29 -1.58 115.31 118.83 2b8i h LEU 31 Ca 0.09 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2b8i h LEU 31 Cb -0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2b8i h LEU 31 CO -0.04 0.66 0.25 1.88 -0.34 0.00 0.00 178.44 180.86 2b8i h TYR 32 N 0.81 1.16 -0.53 1.25 0.05 -0.75 -1.60 116.97 117.37 2b8i h TYR 32 Ca 0.19 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2b8i h TYR 32 Cb 0.15 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 2b8i h TYR 32 CO 0.01 0.91 0.10 0.93 -1.05 0.00 0.00 178.16 179.05 2b8i h GLU 33 N 1.09 0.83 -0.13 4.88 4.39 -0.18 -0.99 114.58 124.47 2b8i h GLU 33 Ca 0.24 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2b8i h GLU 33 Cb 0.27 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2b8i h GLU 33 CO -0.01 0.77 -0.52 1.96 -1.16 0.00 0.00 179.01 180.05 2b8i h GLN 34 N 0.80 0.37 0.00 2.33 4.20 -0.87 -3.32 115.11 118.63 2b8i h GLN 34 Ca 0.17 -0.22 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2b8i h GLN 34 Cb 0.34 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2b8i h GLN 34 CO 0.00 0.81 -1.58 1.28 -0.67 0.00 0.00 178.83 178.67 2b8i n LEU 35 N -3.95 0.71 -3.89 1.46 4.77 -0.64 -5.01 117.00 110.45 2b8i n LEU 35 Ca -0.02 0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.90 2b8i n LEU 35 Cb 0.57 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2b8i n LEU 35 CO 0.45 0.19 -0.14 -0.67 -1.33 0.00 0.00 177.39 175.89 2b8i n ASP 36 N -2.84 -4.09 -4.94 -1.43 2.03 -0.39 -4.97 116.55 99.92 2b8i n ASP 36 Ca -0.12 -1.14 -0.25 0.00 0.52 0.00 0.00 54.79 53.80 2b8i n ASP 36 Cb 0.87 -2.61 -0.02 0.00 -0.72 0.00 0.00 41.12 38.64 2b8i n ASP 36 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2b8i s LEU 37 N -6.95 4.13 0.68 -2.67 1.02 -1.26 -5.08 118.68 108.55 2b8i s LEU 37 Ca 0.42 0.42 -0.14 0.00 0.02 0.00 0.00 54.13 54.84 2b8i s LEU 37 Cb -0.19 -3.24 0.01 0.00 0.02 0.00 0.00 46.19 42.80 2b8i s LEU 37 CO 0.91 -0.17 1.11 -2.84 0.02 0.00 0.00 176.35 175.38 2b8i s PRO 38 N -3.85 2.69 0.27 1.29 0.02 -1.26 -4.72 135.00 129.44 2b8i s PRO 38 Ca 0.39 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2b8i s PRO 38 Cb -0.10 -1.94 0.58 0.00 0.02 0.00 0.00 34.50 33.06 2b8i s PRO 38 CO 0.32 -1.33 1.74 0.35 -0.33 0.00 0.00 177.00 177.75 2b8i h PHE 39 N -0.17 0.70 -0.86 6.54 3.57 -1.98 -1.18 116.94 123.57 2b8i h PHE 39 Ca -0.46 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.14 2b8i h PHE 39 Cb 1.25 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 2b8i h PHE 39 CO 0.55 0.10 0.53 0.38 -2.23 0.00 0.00 178.31 177.64 2b8i h ASP 40 N 0.54 0.84 0.53 0.41 -0.00 -2.00 0.83 116.42 117.57 2b8i h ASP 40 Ca 0.49 0.02 -0.19 0.00 -0.00 0.00 0.00 57.03 57.35 2b8i h ASP 40 Cb 0.77 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 2b8i h ASP 40 CO -0.42 0.53 -0.81 0.11 -0.00 0.00 0.00 179.24 178.65 2b8i h LYS 41 N 0.97 0.21 -0.77 4.15 1.57 -1.69 -2.69 116.57 118.32 2b8i h LYS 41 Ca 0.38 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2b8i h LYS 41 Cb 0.17 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2b8i h LYS 41 CO -0.17 0.91 0.40 1.96 -0.57 0.00 0.00 179.45 181.98 2b8i h GLN 42 N 0.13 1.09 -0.64 3.15 4.20 -0.30 -0.76 115.11 121.98 2b8i h GLN 42 Ca -0.04 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2b8i h GLN 42 Cb 1.41 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 2b8i h GLN 42 CO 0.12 0.83 0.15 1.25 -0.67 0.00 0.00 178.83 180.51 2b8i h LEU 43 N 1.07 0.95 -0.53 1.46 5.85 -0.79 0.45 115.31 123.77 2b8i h LEU 43 Ca 0.27 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2b8i h LEU 43 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2b8i h LEU 43 CO -0.04 0.92 -0.00 0.00 -0.34 0.00 0.00 178.44 178.98 2b8i h ALA 44 N 1.20 0.71 -0.71 1.25 0.00 -1.11 0.44 119.26 121.04 2b8i h ALA 44 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2b8i h ALA 44 Cb 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2b8i h ALA 44 CO 0.00 0.53 0.33 1.25 0.00 0.00 0.00 179.25 181.35 2b8i h LEU 45 N 0.80 0.95 0.11 0.00 5.85 -0.69 -1.40 115.31 120.92 2b8i h LEU 45 Ca 0.15 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2b8i h LEU 45 Cb 0.53 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2b8i h LEU 45 CO 0.03 0.83 -0.05 0.22 -0.34 0.00 0.00 178.44 179.12 2b8i h TYR 46 N 1.00 -0.14 -0.23 1.25 3.20 -0.68 -1.12 116.97 120.25 2b8i h TYR 46 Ca 0.24 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 2b8i h TYR 46 Cb 0.14 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2b8i h TYR 46 CO 0.01 0.23 -0.21 0.00 -1.64 0.00 0.00 178.16 176.54 2b8i h ALA 47 N 0.28 1.22 0.00 1.82 0.00 -0.88 0.44 119.26 122.15 2b8i h ALA 47 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b8i h ALA 47 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2b8i h ALA 47 CO 0.03 0.51 -1.33 0.41 0.00 0.00 0.00 179.25 178.87 2b8i n GLY 48 N -0.52 -1.25 1.97 0.00 0.00 -0.53 -4.59 105.19 100.27 2b8i n GLY 48 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2b8i n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b8i n ALA 49 N -2.11 3.00 -0.11 4.61 0.00 -0.68 -4.80 120.51 120.41 2b8i n ALA 49 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2b8i n ALA 49 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2b8i n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2b8i h LEU 50 N 0.00 0.57 0.26 0.00 3.38 -1.00 -1.31 115.31 117.21 2b8i h LEU 50 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2b8i h LEU 50 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2b8i h LEU 50 CO 0.00 0.74 -0.12 1.23 0.09 0.00 0.00 178.44 180.38 2b8i h GLY 51 N 0.39 -0.36 0.83 0.83 0.00 -0.36 -1.17 103.07 103.23 2b8i h GLY 51 Ca 0.09 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.60 2b8i h GLY 51 CO 0.02 -0.13 0.63 -2.55 0.00 0.00 0.00 176.54 174.51 2b8i h PRO 52 N -0.50 1.16 -0.73 4.80 0.11 -1.74 -0.17 132.00 134.94 2b8i h PRO 52 Ca -0.04 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 2b8i h PRO 52 Cb 0.37 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2b8i h PRO 52 CO 0.06 0.77 0.25 0.00 -0.21 0.00 0.00 178.00 178.86 2b8i h ALA 53 N 1.41 1.05 -0.11 -0.75 0.00 -1.14 -0.37 119.26 119.35 2b8i h ALA 53 Ca 0.40 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2b8i h ALA 53 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2b8i h ALA 53 CO -0.14 0.65 -0.50 0.77 0.00 0.00 0.00 179.25 180.04 2b8i h SER 54 N 1.08 0.32 0.37 0.00 0.02 -0.39 -2.95 113.55 111.99 2b8i h SER 54 Ca 0.24 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2b8i h SER 54 Cb 0.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2b8i h SER 54 CO -0.01 0.76 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.84 2b8i n SER 55 N -3.96 0.31 -0.03 3.07 3.41 -0.15 -4.92 113.62 111.35 2b8i n SER 55 Ca -0.02 -0.53 -0.00 0.00 -0.26 0.00 0.00 58.87 58.06 2b8i n SER 55 Cb 0.55 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2b8i n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b8i n GLY 56 N 1.25 0.36 0.41 5.00 0.00 -0.92 -4.95 105.19 106.33 2b8i n GLY 56 Ca 0.16 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.41 2b8i n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b8i n LYS 57 N -1.14 1.10 0.00 1.61 5.02 -0.19 -4.79 118.16 119.77 2b8i n LYS 57 Ca -0.00 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 2b8i n LYS 57 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2b8i n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2b8i n LEU 58 N -0.23 0.00 0.00 -0.35 4.32 -1.24 -4.91 117.00 114.59 2b8i n LEU 58 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 2b8i n LEU 58 Cb 0.42 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2b8i n LEU 58 CO 0.27 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.82 2b8i n GLU 59 N 0.00 -0.63 -5.21 3.23 1.02 -1.26 -4.87 120.64 112.92 2b8i n GLU 59 Ca 0.00 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.98 2b8i n GLU 59 Cb 0.00 -4.47 -0.16 0.00 -0.02 0.00 0.00 31.44 26.79 2b8i n GLU 59 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2b8i s ASN 60 N -1.88 3.06 0.13 1.62 3.84 -1.26 -5.02 114.94 115.43 2b8i s ASN 60 Ca 0.00 -0.50 -0.32 0.00 0.21 0.00 0.00 52.86 52.26 2b8i s ASN 60 Cb 0.00 -0.33 -0.08 0.00 -0.55 0.00 0.00 41.25 40.29 2b8i s ASN 60 CO 0.00 0.30 1.56 -0.74 -2.79 0.00 0.00 177.10 175.43 2b8i h HIS 61 N 5.32 -1.55 -0.13 0.43 -0.00 -1.98 0.56 115.15 117.79 2b8i h HIS 61 Ca -0.44 0.07 0.01 0.00 -0.00 0.00 0.00 60.37 60.02 2b8i h HIS 61 Cb 1.13 0.72 -0.01 0.00 -0.00 0.00 0.00 27.41 29.25 2b8i h HIS 61 CO 0.41 -0.49 0.05 1.49 -0.00 0.00 0.00 177.93 179.39 2b8i h GLU 62 N -0.44 0.11 -0.76 5.26 4.57 -1.99 0.59 114.58 121.93 2b8i h GLU 62 Ca 0.08 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2b8i h GLU 62 Cb 0.62 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 2b8i h GLU 62 CO -0.54 0.07 0.36 0.00 -1.18 0.00 0.00 179.01 177.72 2b8i h ALA 63 N 1.08 1.20 -0.17 2.92 0.00 -1.82 -1.10 119.26 121.37 2b8i h ALA 63 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2b8i h ALA 63 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2b8i h ALA 63 CO -0.05 0.61 -0.15 0.82 0.00 0.00 0.00 179.25 180.48 2b8i h ILE 64 N 1.09 1.34 -0.79 0.00 2.04 0.38 -2.20 117.51 119.36 2b8i h ILE 64 Ca 0.26 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2b8i h ILE 64 Cb 0.12 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2b8i h ILE 64 CO -0.03 0.38 0.49 -1.28 0.00 0.00 0.00 178.15 177.70 2b8i h SER 65 N 0.04 0.94 -0.44 1.72 0.87 -0.68 -0.83 113.55 115.17 2b8i h SER 65 Ca 0.03 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2b8i h SER 65 Cb 0.67 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2b8i h SER 65 CO 0.04 0.72 -0.27 0.78 -0.53 0.00 0.00 176.83 177.57 2b8i h ASN 66 N 1.09 1.00 -0.28 6.23 2.35 -1.17 -1.30 115.58 123.50 2b8i h ASN 66 Ca 0.29 -0.42 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2b8i h ASN 66 Cb -0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 2b8i h ASN 66 CO -0.06 1.21 0.08 0.00 -1.65 0.00 0.00 177.43 177.02 2b8i h ALA 67 N 0.83 0.37 0.07 -0.83 0.00 -0.94 -1.44 119.26 117.32 2b8i h ALA 67 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b8i h ALA 67 Cb 0.86 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2b8i h ALA 67 CO 0.08 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 2b8i h VAL 68 N 0.29 0.88 -0.97 0.00 2.07 -1.09 -0.69 116.25 116.73 2b8i h VAL 68 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2b8i h VAL 68 Cb 0.25 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2b8i h VAL 68 CO -0.00 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.67 2b8i h ASP 69 N -0.13 1.11 -0.19 0.57 3.32 -1.18 -0.87 116.42 119.04 2b8i h ASP 69 Ca -0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2b8i h ASP 69 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2b8i h ASP 69 CO -0.01 0.80 -0.06 0.28 -1.72 0.00 0.00 179.24 178.54 2b8i h SER 70 N 1.31 0.39 -0.58 6.45 0.02 -1.02 -2.31 113.55 117.81 2b8i h SER 70 Ca 0.36 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2b8i h SER 70 Cb -0.14 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2b8i h SER 70 CO -0.08 0.68 0.01 0.58 -1.14 0.00 0.00 176.83 176.87 2b8i h VAL 71 N 0.09 1.26 -1.00 2.27 2.07 -0.96 -2.19 116.25 117.79 2b8i h VAL 71 Ca 0.05 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.46 2b8i h VAL 71 Cb 0.51 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2b8i h VAL 71 CO 0.02 0.41 0.66 0.58 0.02 0.00 0.00 177.57 179.26 2b8i h VAL 72 N 0.95 1.24 -0.87 2.57 2.07 -1.12 0.85 116.25 121.95 2b8i h VAL 72 Ca 0.17 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2b8i h VAL 72 Cb 0.53 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2b8i h VAL 72 CO 0.03 0.24 0.49 -0.61 0.02 0.00 0.00 177.57 177.74 2b8i h GLN 73 N 1.33 1.20 -0.27 1.57 4.15 -1.01 -1.93 115.11 120.15 2b8i h GLN 73 Ca 0.37 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 2b8i h GLN 73 Cb -0.12 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.31 2b8i h GLN 73 CO -0.09 0.87 -0.24 -0.07 -1.93 0.00 0.00 178.83 177.37 2b8i h LEU 74 N 1.20 0.52 -1.35 -2.39 3.38 -0.54 -2.74 115.31 113.39 2b8i h LEU 74 Ca 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2b8i h LEU 74 Cb 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2b8i h LEU 74 CO -0.05 0.76 -0.06 -0.07 0.09 0.00 0.00 178.44 179.11 2b8i h LEU 75 N 0.46 0.00 -9.71 1.67 3.38 -0.27 -3.43 115.31 107.41 2b8i h LEU 75 Ca 0.07 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.39 2b8i h LEU 75 Cb 0.66 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 2b8i h LEU 75 CO 0.05 0.06 -0.52 -1.83 0.09 0.00 0.00 178.44 176.29 2b8i s GLU 76 N -3.67 3.31 0.00 1.13 -1.05 -0.78 -4.88 118.70 112.75 2b8i s GLU 76 Ca 0.01 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2b8i s GLU 76 Cb 0.09 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 2b8i s GLU 76 CO 0.57 0.68 0.28 -0.89 0.95 0.00 0.00 175.26 176.85