#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5i h THR 7 N 0.00 1.16 -0.19 6.66 2.02 -1.99 -2.79 112.91 117.77 2b5i h THR 7 Ca 0.00 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.63 2b5i h THR 7 Cb 0.00 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.21 2b5i h THR 7 CO 0.00 0.23 -0.41 0.50 0.37 0.00 0.00 175.52 176.21 2b5i h LYS 8 N 1.24 0.44 -0.02 6.66 1.63 -1.98 0.34 116.57 124.88 2b5i h LYS 8 Ca 0.40 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2b5i h LYS 8 Cb 0.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2b5i h LYS 8 CO -0.13 0.77 0.00 -0.22 -3.45 0.00 0.00 179.45 176.43 2b5i h LYS 9 N 0.36 0.02 -0.33 1.90 3.64 -1.98 -1.85 116.57 118.34 2b5i h LYS 9 Ca 0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2b5i h LYS 9 Cb 0.87 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2b5i h LYS 9 CO 0.07 0.23 0.20 1.15 -2.27 0.00 0.00 179.45 178.83 2b5i h THR 10 N -0.19 1.04 -0.73 1.00 2.02 -1.22 -0.36 112.91 114.48 2b5i h THR 10 Ca 0.00 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.09 2b5i h THR 10 Cb 0.22 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2b5i h THR 10 CO -0.00 0.07 0.45 -0.61 0.37 0.00 0.00 175.52 175.80 2b5i h GLN 11 N 0.40 0.82 -0.08 6.66 4.15 -0.33 0.12 115.11 126.86 2b5i h GLN 11 Ca 0.13 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2b5i h GLN 11 Cb -0.01 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 2b5i h GLN 11 CO -0.06 0.55 0.02 1.25 -1.93 0.00 0.00 178.83 178.66 2b5i h LEU 12 N 0.85 0.12 -0.74 -2.39 5.85 -1.07 -1.18 115.31 116.74 2b5i h LEU 12 Ca 0.31 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2b5i h LEU 12 Cb 0.09 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 2b5i h LEU 12 CO -0.14 0.31 0.33 1.56 -0.34 0.00 0.00 178.44 180.16 2b5i h GLN 13 N -0.08 0.50 -0.41 1.25 4.20 -0.85 -1.21 115.11 118.50 2b5i h GLN 13 Ca 0.02 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2b5i h GLN 13 Cb 0.24 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2b5i h GLN 13 CO 0.00 0.33 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.32 2b5i h LEU 14 N 0.51 0.70 -0.67 1.46 3.38 -0.79 -1.34 115.31 118.55 2b5i h LEU 14 Ca 0.39 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2b5i h LEU 14 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2b5i h LEU 14 CO -0.35 0.83 0.14 -0.08 0.09 0.00 0.00 178.44 179.07 2b5i h GLU 15 N 0.65 1.09 -0.14 1.13 4.81 -0.65 0.43 114.58 121.90 2b5i h GLU 15 Ca 0.11 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2b5i h GLU 15 Cb 0.55 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2b5i h GLU 15 CO 0.03 0.99 -0.01 0.45 -0.73 0.00 0.00 179.01 179.74 2b5i h HIS 16 N 1.02 0.28 -0.65 0.92 3.86 -0.97 0.15 115.15 119.75 2b5i h HIS 16 Ca 0.21 -0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.48 2b5i h HIS 16 Cb 0.40 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.72 2b5i h HIS 16 CO 0.03 0.50 0.23 1.25 0.86 0.00 0.00 177.93 180.80 2b5i h LEU 17 N -0.02 0.19 -0.06 2.43 5.85 -1.21 -1.00 115.31 121.48 2b5i h LEU 17 Ca 0.04 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2b5i h LEU 17 Cb 0.40 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2b5i h LEU 17 CO 0.01 0.10 -0.03 0.25 -0.34 0.00 0.00 178.44 178.43 2b5i h LEU 18 N 0.39 -0.09 -0.90 2.25 5.85 -0.29 -1.85 115.31 120.66 2b5i h LEU 18 Ca 0.34 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.11 2b5i h LEU 18 Cb 0.48 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2b5i h LEU 18 CO -0.36 -0.04 0.59 -0.07 -0.34 0.00 0.00 178.44 178.22 2b5i h LEU 19 N -0.02 1.00 -0.17 2.25 3.38 -0.33 0.17 115.31 121.60 2b5i h LEU 19 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2b5i h LEU 19 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2b5i h LEU 19 CO -0.08 0.71 0.08 0.44 0.09 0.00 0.00 178.44 179.68 2b5i h ASP 20 N 1.18 0.12 -0.42 -0.43 3.32 -0.92 0.16 116.42 119.42 2b5i h ASP 20 Ca 0.34 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2b5i h ASP 20 Cb -0.08 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2b5i h ASP 20 CO -0.09 0.09 0.19 -0.07 -1.72 0.00 0.00 179.24 177.64 2b5i h LEU 21 N 0.17 0.57 -1.04 1.55 3.38 -0.93 -2.24 115.31 116.77 2b5i h LEU 21 Ca 0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2b5i h LEU 21 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2b5i h LEU 21 CO -0.05 0.55 -0.04 1.56 0.09 0.00 0.00 178.44 180.56 2b5i h GLN 22 N 0.54 0.64 -0.09 1.13 4.20 -0.52 -0.74 115.11 120.28 2b5i h GLN 22 Ca 0.14 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2b5i h GLN 22 Cb 0.15 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2b5i h GLN 22 CO -0.02 0.69 -0.12 1.98 -0.67 0.00 0.00 178.83 180.70 2b5i h MET 23 N 0.60 -0.15 -0.33 1.46 4.05 -0.41 -0.55 114.93 119.60 2b5i h MET 23 Ca 0.12 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 2b5i h MET 23 Cb 0.43 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2b5i h MET 23 CO 0.02 -0.10 0.19 0.82 0.23 0.00 0.00 176.91 178.07 2b5i h ILE 24 N -0.16 1.03 -0.22 1.77 2.04 -0.84 -0.94 117.51 120.18 2b5i h ILE 24 Ca 0.07 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2b5i h ILE 24 Cb 0.26 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2b5i h ILE 24 CO -0.18 0.07 0.08 0.25 0.00 0.00 0.00 178.15 178.37 2b5i h LEU 25 N 0.38 0.10 -0.72 1.44 5.85 -1.00 -1.23 115.31 120.13 2b5i h LEU 25 Ca 0.13 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2b5i h LEU 25 Cb 0.01 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2b5i h LEU 25 CO -0.07 0.09 0.36 0.78 -0.34 0.00 0.00 178.44 179.26 2b5i h ASN 26 N 0.19 0.93 0.31 1.25 -0.26 -0.96 0.12 115.58 117.16 2b5i h ASN 26 Ca 0.10 -0.12 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 2b5i h ASN 26 Cb 0.06 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 2b5i h ASN 26 CO -0.10 0.79 -0.30 1.23 -1.06 0.00 0.00 177.43 178.00 2b5i h GLY 27 N 1.01 0.00 0.00 2.83 0.00 -0.82 -3.32 103.07 102.77 2b5i h GLY 27 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.23 2b5i h GLY 27 CO -0.03 0.00 -2.33 0.29 0.00 0.00 0.00 176.54 174.46 2b5i n ILE 28 N -4.16 1.34 -2.53 2.60 -5.35 -0.49 -4.75 119.36 106.02 2b5i n ILE 28 Ca -0.02 -0.59 -0.43 0.00 -0.27 0.00 0.00 62.75 61.44 2b5i n ILE 28 Cb 0.35 -1.13 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 2b5i n ILE 28 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2b5i n ASN 29 N -3.07 4.96 -3.55 7.28 5.15 0.40 -4.79 115.26 121.65 2b5i n ASN 29 Ca -0.39 -2.99 -0.09 0.00 -0.60 0.00 0.00 54.58 50.51 2b5i n ASN 29 Cb 0.99 -1.58 -0.03 0.00 -0.53 0.00 0.00 39.78 38.62 2b5i n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2b5i s ASN 30 N 2.47 -0.34 1.01 1.20 4.22 -1.26 -4.80 114.94 117.44 2b5i s ASN 30 Ca 0.44 0.18 -0.13 0.00 -2.14 0.00 0.00 52.86 51.22 2b5i s ASN 30 Cb 0.05 0.32 0.13 0.00 1.28 0.00 0.00 41.25 43.02 2b5i s ASN 30 CO 0.00 -0.45 0.67 0.00 -2.04 0.00 0.00 177.10 175.28 2b5i n TYR 31 N 0.22 -0.72 -1.28 1.54 -0.00 -1.26 -2.76 117.16 112.89 2b5i n TYR 31 Ca -0.08 0.20 -0.10 0.00 -0.00 0.00 0.00 57.90 57.92 2b5i n TYR 31 Cb 0.60 -1.80 -0.04 0.00 -0.00 0.00 0.00 39.34 38.10 2b5i n TYR 31 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2b5i n LYS 32 N -3.09 -1.02 -3.58 -3.48 4.76 -1.26 -4.95 118.16 105.53 2b5i n LYS 32 Ca 0.07 0.79 -0.28 0.00 -2.87 0.00 0.00 58.31 56.02 2b5i n LYS 32 Cb 0.55 -4.82 -0.11 0.00 -1.84 0.00 0.00 35.03 28.80 2b5i n LYS 32 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2b5i s ASN 33 N -2.62 2.74 0.00 4.39 2.47 -1.11 -4.99 114.94 115.82 2b5i s ASN 33 Ca 0.00 -3.26 0.12 0.00 0.42 0.00 0.00 52.86 50.15 2b5i s ASN 33 Cb 0.00 -0.86 0.74 0.00 -1.45 0.00 0.00 41.25 39.67 2b5i s ASN 33 CO 0.00 -0.15 1.25 -2.65 -3.72 0.00 0.00 177.10 171.83 2b5i n PRO 34 N 2.66 0.69 0.04 0.43 -0.02 -1.26 -2.09 135.00 135.44 2b5i n PRO 34 Ca 0.24 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2b5i n PRO 34 Cb 0.42 -1.28 0.24 0.00 -0.02 0.00 0.00 33.50 32.86 2b5i n PRO 34 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2b5i n LYS 35 N -0.78 0.18 -0.23 -0.52 4.76 -1.26 -4.56 118.16 115.75 2b5i n LYS 35 Ca 0.09 0.06 0.04 0.00 -2.87 0.00 0.00 58.31 55.63 2b5i n LYS 35 Cb 0.04 -1.62 0.15 0.00 -1.84 0.00 0.00 35.03 31.76 2b5i n LYS 35 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2b5i h LEU 36 N 0.00 0.00 -0.67 -0.35 5.85 -1.73 -1.58 115.31 116.83 2b5i h LEU 36 Ca 0.00 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 2b5i h LEU 36 Cb 0.65 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2b5i h LEU 36 CO 0.00 -0.02 -0.65 0.71 -0.34 0.00 0.00 178.44 178.14 2b5i h THR 37 N 0.26 1.45 -0.08 1.05 1.35 -1.86 -0.61 112.91 114.48 2b5i h THR 37 Ca 0.38 -2.20 -0.18 0.00 -0.55 0.00 0.00 66.41 63.86 2b5i h THR 37 Cb 0.61 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 2b5i h THR 37 CO -0.47 0.63 -0.71 0.03 -0.25 0.00 0.00 175.52 174.75 2b5i h ARG 38 N 0.04 0.38 -0.19 4.72 2.47 -1.78 -3.11 114.38 116.90 2b5i h ARG 38 Ca -0.01 -0.30 -0.07 0.00 -1.26 0.00 0.00 59.98 58.34 2b5i h ARG 38 Cb 1.16 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2b5i h ARG 38 CO 0.09 0.94 -0.19 0.52 0.56 0.00 0.00 179.97 181.89 2b5i h MET 39 N 0.26 0.33 0.00 0.04 2.86 -1.03 -2.92 114.93 114.47 2b5i h MET 39 Ca -0.03 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2b5i h MET 39 Cb 1.28 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 2b5i h MET 39 CO 0.12 0.51 -0.01 -0.07 1.06 0.00 0.00 176.91 178.53 2b5i h LEU 40 N 0.30 0.00 0.00 1.22 4.07 -1.04 -3.12 115.31 116.74 2b5i h LEU 40 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2b5i h LEU 40 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2b5i h LEU 40 CO 0.03 0.01 -0.01 0.71 -1.08 0.00 0.00 178.44 178.10 2b5i h THR 41 N 0.00 0.00 -3.58 0.22 1.35 -1.56 -3.43 112.91 105.91 2b5i h THR 41 Ca -0.00 -0.61 -0.51 0.00 -0.55 0.00 0.00 66.41 64.74 2b5i h THR 41 Cb 0.31 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2b5i h THR 41 CO 0.00 0.00 0.42 -0.36 -0.25 0.00 0.00 175.52 175.33 2b5i s PHE 42 N -3.13 3.71 -0.30 4.73 0.08 -1.18 -5.01 117.98 116.88 2b5i s PHE 42 Ca 0.10 1.70 -0.20 0.00 0.12 0.00 0.00 56.93 58.64 2b5i s PHE 42 Cb 0.11 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.38 2b5i s PHE 42 CO 0.62 -0.22 0.63 0.15 -0.10 0.00 0.00 175.22 176.30 2b5i s LYS 43 N -0.29 3.91 0.07 0.44 1.02 -1.26 -4.38 119.74 119.26 2b5i s LYS 43 Ca 0.48 0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.74 2b5i s LYS 43 Cb -0.27 -3.72 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 2b5i s LYS 43 CO 0.33 -0.56 0.28 -0.06 -0.92 0.00 0.00 175.35 174.41 2b5i s PHE 44 N 2.60 3.52 -0.03 3.18 0.08 0.16 -4.87 117.98 122.62 2b5i s PHE 44 Ca 0.25 0.42 -0.05 0.00 0.12 0.00 0.00 56.93 57.68 2b5i s PHE 44 Cb -0.15 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2b5i s PHE 44 CO 0.12 0.54 0.20 0.71 -0.10 0.00 0.00 175.22 176.69 2b5i s TYR 45 N -1.51 3.57 -0.00 0.36 2.02 -1.26 -0.48 117.35 120.05 2b5i s TYR 45 Ca 0.35 0.46 0.08 0.00 -0.37 0.00 0.00 57.07 57.59 2b5i s TYR 45 Cb -0.13 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2b5i s TYR 45 CO 0.24 0.66 -0.24 -1.64 -1.57 0.00 0.00 175.55 173.00 2b5i s MET 46 N -1.67 1.84 0.26 -0.62 -1.94 -1.26 -4.95 119.30 110.95 2b5i s MET 46 Ca 0.24 -0.89 -0.30 0.00 -1.71 0.00 0.00 55.69 53.03 2b5i s MET 46 Cb -0.13 -1.83 -0.11 0.00 2.01 0.00 0.00 34.83 34.78 2b5i s MET 46 CO 0.15 0.49 1.57 -1.25 -0.01 0.00 0.00 175.02 175.97 2b5i s PRO 47 N -0.72 4.17 0.17 2.03 0.04 -1.26 0.69 135.00 140.11 2b5i s PRO 47 Ca 0.09 2.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 2b5i s PRO 47 Cb -0.09 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.45 2b5i s PRO 47 CO -0.00 -0.59 1.69 -0.22 0.04 0.00 0.00 177.00 177.92 2b5i h LYS 48 N 5.30 0.90 -4.18 4.56 3.64 -1.31 -3.39 116.57 122.09 2b5i h LYS 48 Ca -0.46 -0.20 -0.29 0.00 -1.27 0.00 0.00 60.65 58.43 2b5i h LYS 48 Cb 1.22 -0.13 -0.27 0.00 -0.41 0.00 0.00 32.23 32.64 2b5i h LYS 48 CO 0.82 0.82 -0.74 -1.59 -2.27 0.00 0.00 179.45 176.49 2b5i s LYS 49 N -5.38 0.33 -0.39 1.90 -2.85 -1.26 -4.94 119.74 107.15 2b5i s LYS 49 Ca -0.13 -0.21 0.04 0.00 -1.00 0.00 0.00 55.97 54.68 2b5i s LYS 49 Cb 0.13 -0.28 0.16 0.00 -2.06 0.00 0.00 37.83 35.78 2b5i s LYS 49 CO 0.81 0.07 0.44 0.00 0.10 0.00 0.00 175.35 176.77 2b5i s ALA 50 N -0.26 -0.70 0.00 0.59 0.00 -1.26 -4.88 121.76 115.24 2b5i s ALA 50 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2b5i s ALA 50 Cb -0.03 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2b5i s ALA 50 CO -0.00 -2.16 0.04 0.25 0.00 0.00 0.00 175.76 173.89 2b5i n THR 51 N 4.07 0.00 -3.87 0.00 -2.24 -1.26 -4.89 114.28 106.09 2b5i n THR 51 Ca 0.13 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2b5i n THR 51 Cb 0.48 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 2b5i n THR 51 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2b5i s GLU 52 N -0.58 0.97 0.37 -0.78 -1.05 -1.26 -4.93 118.70 111.43 2b5i s GLU 52 Ca 0.00 -1.01 0.15 0.00 -0.15 0.00 0.00 54.97 53.96 2b5i s GLU 52 Cb 0.00 0.36 1.01 0.00 -0.44 0.00 0.00 34.13 35.06 2b5i s GLU 52 CO 0.00 -0.33 1.76 -0.07 0.95 0.00 0.00 175.26 177.57 2b5i h LEU 53 N 2.65 0.54 -1.63 1.83 3.38 -1.92 -0.03 115.31 120.13 2b5i h LEU 53 Ca -0.33 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2b5i h LEU 53 Cb 1.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2b5i h LEU 53 CO 0.53 0.11 -0.12 0.07 0.09 0.00 0.00 178.44 179.12 2b5i h LYS 54 N 0.48 0.00 0.00 1.13 2.10 -1.87 -2.05 116.57 116.36 2b5i h LYS 54 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 2b5i h LYS 54 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2b5i h LYS 54 CO -0.36 0.12 0.00 0.45 -2.00 0.00 0.00 179.45 177.66 2b5i h HIS 55 N 0.00 0.00 0.00 0.07 3.86 -1.33 -2.62 115.15 115.13 2b5i h HIS 55 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2b5i h HIS 55 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2b5i h HIS 55 CO 0.00 0.00 0.08 -0.07 0.86 0.00 0.00 177.93 178.80 2b5i h LEU 56 N 0.00 0.00 -0.87 2.43 3.38 -1.50 -1.60 115.31 117.15 2b5i h LEU 56 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2b5i h LEU 56 Cb 0.30 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2b5i h LEU 56 CO 0.00 0.00 0.42 1.56 0.09 0.00 0.00 178.44 180.51 2b5i h GLN 57 N 0.00 0.51 -0.85 1.13 1.08 -1.70 -0.93 115.11 114.34 2b5i h GLN 57 Ca 0.00 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2b5i h GLN 57 Cb 0.17 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2b5i h GLN 57 CO 0.00 0.34 0.56 0.00 -0.95 0.00 0.00 178.83 178.77 2b5i h LEU 59 N 0.94 -0.18 -0.88 0.00 5.85 -1.37 -3.31 115.31 116.36 2b5i h LEU 59 Ca 0.37 -0.33 0.23 0.00 0.84 0.00 0.00 57.88 58.99 2b5i h LEU 59 Cb 0.23 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.16 2b5i h LEU 59 CO -0.14 0.28 0.15 -0.08 -0.34 0.00 0.00 178.44 178.32 2b5i h GLU 60 N -0.69 0.14 0.00 1.25 4.81 -1.09 0.48 114.58 119.47 2b5i h GLU 60 Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2b5i h GLU 60 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2b5i h GLU 60 CO 0.04 0.09 0.00 0.39 -0.73 0.00 0.00 179.01 178.80 2b5i n GLU 61 N -5.30 0.01 -0.06 1.92 1.02 -0.98 -2.47 120.64 114.77 2b5i n GLU 61 Ca 0.20 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.59 2b5i n GLU 61 Cb 0.67 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.68 2b5i n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b5i n GLU 62 N -1.50 1.50 -0.13 3.49 -0.58 0.15 -4.58 120.64 119.00 2b5i n GLU 62 Ca 0.05 -1.60 -0.02 0.00 -0.42 0.00 0.00 57.16 55.17 2b5i n GLU 62 Cb 0.22 -1.30 0.20 0.00 -0.57 0.00 0.00 31.44 29.99 2b5i n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2b5i h LEU 63 N 2.88 0.76 0.86 -4.62 3.38 -1.33 -0.76 115.31 116.48 2b5i h LEU 63 Ca 0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2b5i h LEU 63 Cb 0.67 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2b5i h LEU 63 CO 0.00 0.74 -0.41 0.50 0.09 0.00 0.00 178.44 179.35 2b5i h LYS 64 N 0.79 -1.11 -0.48 1.13 1.63 -1.81 -1.40 116.57 115.32 2b5i h LYS 64 Ca 0.18 0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.11 2b5i h LYS 64 Cb 0.27 0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 2b5i h LYS 64 CO -0.00 -0.73 0.32 -1.00 -3.45 0.00 0.00 179.45 174.58 2b5i h PRO 65 N -1.23 0.43 -0.32 1.90 0.13 -1.86 -2.67 132.00 128.38 2b5i h PRO 65 Ca -0.12 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.03 2b5i h PRO 65 Cb 0.89 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2b5i h PRO 65 CO 0.19 0.28 0.06 1.25 -0.23 0.00 0.00 178.00 179.56 2b5i h LEU 66 N 0.44 0.01 -1.17 1.56 5.85 -0.95 -1.87 115.31 119.17 2b5i h LEU 66 Ca 0.21 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2b5i h LEU 66 Cb 0.26 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2b5i h LEU 66 CO -0.05 0.04 0.32 -0.08 -0.34 0.00 0.00 178.44 178.32 2b5i h GLU 67 N 0.17 0.89 -0.03 1.25 4.81 -0.93 -0.11 114.58 120.64 2b5i h GLU 67 Ca 0.15 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2b5i h GLU 67 Cb 0.17 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2b5i h GLU 67 CO -0.20 0.68 0.01 0.93 -0.73 0.00 0.00 179.01 179.70 2b5i h GLU 68 N 0.89 0.04 -0.95 1.92 5.08 -1.16 0.25 114.58 120.65 2b5i h GLU 68 Ca 0.22 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2b5i h GLU 68 Cb 0.07 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2b5i h GLU 68 CO -0.03 0.22 0.61 0.28 -1.00 0.00 0.00 179.01 179.09 2b5i h VAL 69 N -0.15 1.10 -0.10 3.13 2.07 -1.15 -2.72 116.25 118.43 2b5i h VAL 69 Ca 0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2b5i h VAL 69 Cb 0.20 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2b5i h VAL 69 CO -0.00 0.21 0.06 -0.07 0.02 0.00 0.00 177.57 177.79 2b5i h LEU 70 N 1.13 0.12 -0.31 2.57 3.38 -0.64 -2.71 115.31 118.84 2b5i h LEU 70 Ca 0.40 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2b5i h LEU 70 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2b5i h LEU 70 CO -0.16 0.12 0.15 0.59 0.09 0.00 0.00 178.44 179.23 2b5i n ASN 71 N -5.00 0.12 -0.35 -0.43 3.02 0.84 -1.46 115.26 112.00 2b5i n ASN 71 Ca -0.05 0.44 0.12 0.00 -0.03 0.00 0.00 54.58 55.06 2b5i n ASN 71 Cb 0.05 -0.44 0.55 0.00 -0.61 0.00 0.00 39.78 39.32 2b5i n ASN 71 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2b5i n LEU 72 N -1.59 1.06 -4.70 3.41 4.77 -1.02 -4.81 117.00 114.12 2b5i n LEU 72 Ca -0.00 -0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.19 2b5i n LEU 72 Cb 0.16 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2b5i n LEU 72 CO 0.02 0.20 0.30 0.00 -1.33 0.00 0.00 177.39 176.58 2b5i s ALA 73 N -1.93 3.46 -0.66 -1.18 0.00 -0.54 -4.93 121.76 115.98 2b5i s ALA 73 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2b5i s ALA 73 Cb 0.19 -2.84 0.40 0.00 0.00 0.00 0.00 23.12 20.87 2b5i s ALA 73 CO 0.30 -0.21 1.75 1.04 0.00 0.00 0.00 175.76 178.64 2b5i n GLN 74 N 4.14 2.97 0.00 0.00 6.02 -1.26 -5.13 117.38 124.12 2b5i n GLN 74 Ca -0.04 -3.74 0.00 0.00 -0.01 0.00 0.00 57.00 53.22 2b5i n GLN 74 Cb 0.51 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.50 2b5i n GLN 74 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2b5i n SER 75 N -0.64 0.00 -1.20 1.08 3.41 -1.26 -5.17 113.62 109.83 2b5i n SER 75 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2b5i n SER 75 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2b5i n SER 75 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2b5i n LEU 80 N 0.00 -1.68 -3.12 1.04 7.94 -1.26 -5.27 117.00 114.65 2b5i n LEU 80 Ca 0.00 2.27 -0.18 0.00 -1.11 0.00 0.00 56.01 56.99 2b5i n LEU 80 Cb 0.00 -2.08 -0.05 0.00 0.53 0.00 0.00 43.42 41.82 2b5i n LEU 80 CO 0.00 -0.03 -0.14 -2.11 -1.11 0.00 0.00 177.39 174.00 2b5i n ARG 81 N -1.47 0.38 -0.26 1.96 -4.01 -1.26 -5.06 116.66 106.94 2b5i n ARG 81 Ca 0.00 -2.71 -0.00 0.00 -1.04 0.00 0.00 57.85 54.10 2b5i n ARG 81 Cb 0.14 -1.55 0.12 0.00 -3.04 0.00 0.00 32.46 28.13 2b5i n ARG 81 CO 0.00 0.00 0.00 -1.35 -3.04 0.00 0.00 177.63 173.24 2b5i h PRO 82 N 5.18 0.75 0.45 2.89 0.11 -1.95 -2.46 132.00 136.97 2b5i h PRO 82 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2b5i h PRO 82 Cb 0.98 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2b5i h PRO 82 CO 0.26 0.50 -0.29 -0.09 -0.21 0.00 0.00 178.00 178.16 2b5i h ARG 83 N 0.77 -0.69 0.06 1.05 9.65 -1.97 0.36 114.38 123.61 2b5i h ARG 83 Ca 0.34 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.26 2b5i h ARG 83 Cb 0.22 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2b5i h ARG 83 CO -0.20 -0.46 -0.03 -0.44 2.80 0.00 0.00 179.97 181.64 2b5i h ASP 84 N -0.72 -0.08 -0.51 -3.80 3.45 -1.97 -1.35 116.42 111.44 2b5i h ASP 84 Ca -0.05 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.48 2b5i h ASP 84 Cb 0.60 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.34 2b5i h ASP 84 CO 0.04 -0.06 0.20 0.25 -1.57 0.00 0.00 179.24 178.10 2b5i h LEU 85 N -0.09 0.22 -0.52 1.55 5.85 -1.16 0.18 115.31 121.35 2b5i h LEU 85 Ca -0.01 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 2b5i h LEU 85 Cb 0.07 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2b5i h LEU 85 CO 0.01 0.16 -0.60 0.40 -0.34 0.00 0.00 178.44 178.07 2b5i h ILE 86 N 0.39 1.34 -0.57 4.05 1.08 -0.22 -1.82 117.51 121.76 2b5i h ILE 86 Ca 0.24 -1.90 -0.08 0.00 -0.39 0.00 0.00 64.86 62.73 2b5i h ILE 86 Cb 0.24 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 2b5i h ILE 86 CO -0.23 0.58 0.02 0.77 -0.69 0.00 0.00 178.15 178.60 2b5i h SER 87 N 0.35 0.94 -0.34 1.72 4.64 -0.66 -0.08 113.55 120.11 2b5i h SER 87 Ca -0.00 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2b5i h SER 87 Cb 1.14 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2b5i h SER 87 CO 0.11 0.98 0.04 0.78 -0.87 0.00 0.00 176.83 177.87 2b5i h ASN 88 N 0.90 0.56 -0.68 4.97 2.35 -0.48 -2.05 115.58 121.15 2b5i h ASN 88 Ca 0.17 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2b5i h ASN 88 Cb 0.49 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2b5i h ASN 88 CO 0.02 0.70 0.19 0.40 -1.65 0.00 0.00 177.43 177.09 2b5i h ILE 89 N 0.40 1.26 0.04 2.81 2.04 -1.26 -2.51 117.51 120.29 2b5i h ILE 89 Ca 0.10 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.07 2b5i h ILE 89 Cb 0.39 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2b5i h ILE 89 CO 0.01 0.35 -0.37 -1.13 0.00 0.00 0.00 178.15 177.01 2b5i h ASN 90 N 1.01 -1.12 -0.43 1.72 -0.00 -0.91 -0.60 115.58 115.26 2b5i h ASN 90 Ca 0.22 0.14 -0.07 0.00 -0.00 0.00 0.00 56.30 56.58 2b5i h ASN 90 Cb 0.34 0.44 -0.02 0.00 -0.00 0.00 0.00 38.32 39.07 2b5i h ASN 90 CO -0.00 -0.44 0.03 -0.37 -0.00 0.00 0.00 177.43 176.65 2b5i h VAL 91 N -0.56 1.24 0.03 2.57 -1.51 -1.24 -1.43 116.25 115.35 2b5i h VAL 91 Ca 0.04 -0.96 -0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2b5i h VAL 91 Cb 0.62 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2b5i h VAL 91 CO -0.27 0.34 -0.01 0.40 -1.23 0.00 0.00 177.57 176.80 2b5i h ILE 92 N 0.76 1.21 -0.72 7.19 2.04 -1.39 -2.24 117.51 124.37 2b5i h ILE 92 Ca 0.15 -0.76 0.15 0.00 1.00 0.00 0.00 64.86 65.40 2b5i h ILE 92 Cb 0.42 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 38.12 2b5i h ILE 92 CO 0.01 0.19 0.19 0.58 0.00 0.00 0.00 178.15 179.13 2b5i h VAL 93 N -0.37 0.56 -0.42 1.67 2.07 -0.93 -0.24 116.25 118.59 2b5i h VAL 93 Ca -0.00 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 2b5i h VAL 93 Cb 0.35 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2b5i h VAL 93 CO 0.01 0.05 -0.10 -0.07 0.02 0.00 0.00 177.57 177.48 2b5i h LEU 94 N 0.30 0.73 -0.32 2.57 3.38 -1.16 0.25 115.31 121.06 2b5i h LEU 94 Ca 0.40 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2b5i h LEU 94 Cb 0.65 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2b5i h LEU 94 CO -0.47 0.86 0.00 -0.33 0.09 0.00 0.00 178.44 178.59 2b5i h GLU 95 N 0.68 0.56 0.09 1.13 4.39 -0.71 -3.10 114.58 117.61 2b5i h GLU 95 Ca 0.12 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2b5i h GLU 95 Cb 0.56 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2b5i h GLU 95 CO 0.03 0.69 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.46 2b5i h LEU 96 N 0.36 -0.10 -2.29 1.33 3.38 -0.79 -3.21 115.31 113.98 2b5i h LEU 96 Ca 0.09 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2b5i h LEU 96 Cb 0.44 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2b5i h LEU 96 CO 0.02 0.32 -0.05 0.07 0.09 0.00 0.00 178.44 178.89 2b5i h LYS 97 N -0.55 0.00 0.00 1.13 2.10 -0.60 -3.45 116.57 115.21 2b5i h LYS 97 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2b5i h LYS 97 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2b5i h LYS 97 CO 0.02 0.05 0.00 0.41 -2.00 0.00 0.00 179.45 177.93 2b5i n GLY 98 N -0.90 1.94 0.00 0.07 0.00 -1.17 -4.06 105.19 101.07 2b5i n GLY 98 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2b5i n GLY 98 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2b5i n PHE 103 N 0.00 0.00 -3.16 1.61 -0.00 -1.26 -5.04 117.46 109.61 2b5i n PHE 103 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.01 2b5i n PHE 103 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 2b5i n PHE 103 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 2b5i s MET 104 N 1.22 3.06 -0.19 3.97 -1.94 -1.26 -5.02 119.30 119.14 2b5i s MET 104 Ca 0.00 -1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 52.48 2b5i s MET 104 Cb 0.00 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.64 2b5i s MET 104 CO 0.00 -1.39 1.02 0.00 -0.01 0.00 0.00 175.02 174.64 2b5i s GLU 106 N 2.77 4.15 0.12 0.00 1.03 -1.26 -5.01 118.70 120.50 2b5i s GLU 106 Ca 0.45 0.21 0.03 0.00 0.03 0.00 0.00 54.97 55.69 2b5i s GLU 106 Cb -0.16 -3.37 -0.04 0.00 -0.80 0.00 0.00 34.13 29.76 2b5i s GLU 106 CO 0.10 0.35 0.20 0.71 -1.33 0.00 0.00 175.26 175.29 2b5i s TYR 107 N 0.08 3.36 0.67 4.83 1.51 -1.26 -1.02 117.35 125.52 2b5i s TYR 107 Ca 0.20 0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 56.23 2b5i s TYR 107 Cb -0.14 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 2b5i s TYR 107 CO 0.07 0.53 1.09 0.00 -1.11 0.00 0.00 175.55 176.13 2b5i s ALA 108 N -1.63 2.53 0.14 3.71 0.00 0.22 -4.51 121.76 122.21 2b5i s ALA 108 Ca 0.33 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2b5i s ALA 108 Cb -0.11 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2b5i s ALA 108 CO 0.26 -1.24 1.65 -0.44 0.00 0.00 0.00 175.76 175.98 2b5i h ASP 109 N -0.20 0.71 -3.09 0.00 3.32 -1.98 -3.43 116.42 111.74 2b5i h ASP 109 Ca -0.46 -0.23 -0.53 0.00 0.02 0.00 0.00 57.03 55.83 2b5i h ASP 109 Cb 1.23 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.61 2b5i h ASP 109 CO 0.55 0.75 0.65 -1.61 -1.72 0.00 0.00 179.24 177.86 2b5i s GLU 110 N -5.30 4.37 0.50 3.56 8.01 -1.26 -5.05 118.70 123.53 2b5i s GLU 110 Ca -0.13 1.91 -0.02 0.00 0.01 0.00 0.00 54.97 56.74 2b5i s GLU 110 Cb 0.11 -3.32 -0.00 0.00 -4.31 0.00 0.00 34.13 26.61 2b5i s GLU 110 CO 0.78 -0.36 0.76 0.95 0.01 0.00 0.00 175.26 177.40 2b5i s THR 111 N 1.18 3.98 0.18 3.63 -4.23 -1.26 -4.43 115.64 114.69 2b5i s THR 111 Ca 0.61 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 2b5i s THR 111 Cb -0.33 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 2b5i s THR 111 CO 0.29 -0.43 -0.09 0.00 -0.54 0.00 0.00 174.62 173.85 2b5i s ALA 112 N -2.71 1.70 0.81 3.99 0.00 0.37 -4.90 121.76 121.02 2b5i s ALA 112 Ca 0.50 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 2b5i s ALA 112 Cb -0.10 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.19 2b5i s ALA 112 CO 0.41 -0.08 1.12 0.95 0.00 0.00 0.00 175.76 178.16 2b5i s THR 113 N -3.23 2.67 0.26 0.00 -4.23 -1.26 0.38 115.64 110.23 2b5i s THR 113 Ca 0.21 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 2b5i s THR 113 Cb 0.02 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 71.04 2b5i s THR 113 CO 0.04 -0.28 1.80 0.40 -0.54 0.00 0.00 174.62 176.04 2b5i h ILE 114 N -1.09 0.86 -0.16 2.99 5.03 -1.80 0.33 117.51 123.66 2b5i h ILE 114 Ca -0.47 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 2b5i h ILE 114 Cb 1.29 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 35.05 2b5i h ILE 114 CO 0.62 0.15 0.10 0.58 -0.68 0.00 0.00 178.15 178.92 2b5i h VAL 115 N 0.81 1.04 -0.52 1.67 2.07 -1.94 0.62 116.25 120.00 2b5i h VAL 115 Ca 0.45 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.84 2b5i h VAL 115 Cb 0.50 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2b5i h VAL 115 CO -0.29 0.04 0.07 -0.33 0.02 0.00 0.00 177.57 177.08 2b5i h GLU 116 N 0.21 0.83 -0.14 1.57 5.08 -1.82 -0.92 114.58 119.40 2b5i h GLU 116 Ca 0.06 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2b5i h GLU 116 Cb -0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2b5i h GLU 116 CO -0.01 0.79 -0.03 0.35 -1.00 0.00 0.00 179.01 179.11 2b5i h PHE 117 N 0.79 0.29 -0.37 4.33 3.57 -0.23 -1.51 116.94 123.81 2b5i h PHE 117 Ca 0.16 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2b5i h PHE 117 Cb 0.37 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2b5i h PHE 117 CO 0.02 0.54 0.14 -0.07 -2.23 0.00 0.00 178.31 176.72 2b5i h LEU 118 N -0.04 0.52 -1.63 0.59 3.38 0.37 -2.65 115.31 115.85 2b5i h LEU 118 Ca 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2b5i h LEU 118 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2b5i h LEU 118 CO 0.01 0.55 -0.05 0.78 0.09 0.00 0.00 178.44 179.82 2b5i h ASN 119 N 0.45 0.15 -0.24 -0.43 -0.26 -1.14 -0.54 115.58 113.57 2b5i h ASN 119 Ca 0.12 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 2b5i h ASN 119 Cb 0.20 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 2b5i h ASN 119 CO -0.01 0.24 0.03 -0.09 -1.06 0.00 0.00 177.43 176.54 2b5i h ARG 120 N 0.17 0.40 -0.02 0.81 9.65 -1.10 -1.34 114.38 122.94 2b5i h ARG 120 Ca 0.04 -0.11 -0.11 0.00 -1.10 0.00 0.00 59.98 58.69 2b5i h ARG 120 Cb 0.21 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2b5i h ARG 120 CO 0.01 0.54 -0.52 -1.49 2.80 0.00 0.00 179.97 181.31 2b5i h TRP 121 N 0.20 0.08 0.01 2.20 4.06 -1.09 -1.12 115.95 120.28 2b5i h TRP 121 Ca 0.07 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 2b5i h TRP 121 Cb 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2b5i h TRP 121 CO 0.02 0.57 -0.01 0.82 -3.56 0.00 0.00 178.44 176.29 2b5i h ILE 122 N 0.05 1.19 -0.66 1.49 2.04 -1.06 -2.38 117.51 118.18 2b5i h ILE 122 Ca -0.00 -0.62 0.12 0.00 1.00 0.00 0.00 64.86 65.36 2b5i h ILE 122 Cb 0.94 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.54 2b5i h ILE 122 CO 0.07 0.16 0.22 0.74 0.00 0.00 0.00 178.15 179.34 2b5i h THR 123 N -0.28 0.68 0.40 -0.27 2.02 -1.08 -0.74 112.91 113.64 2b5i h THR 123 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2b5i h THR 123 Cb 0.27 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2b5i h THR 123 CO 0.00 0.07 -0.45 0.15 0.37 0.00 0.00 175.52 175.66 2b5i h PHE 124 N 0.36 -1.23 -0.45 3.16 3.57 -1.11 0.12 116.94 121.37 2b5i h PHE 124 Ca 0.35 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.95 2b5i h PHE 124 Cb 0.51 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 2b5i h PHE 124 CO -0.20 -0.60 -0.08 0.00 -2.23 0.00 0.00 178.31 175.21 2b5i h GLN 126 N 0.03 0.56 -0.31 0.00 4.20 -0.89 -0.13 115.11 118.58 2b5i h GLN 126 Ca 0.22 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2b5i h GLN 126 Cb 0.33 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2b5i h GLN 126 CO -0.43 0.52 0.10 0.66 -0.67 0.00 0.00 178.83 179.01 2b5i h SER 127 N 0.55 0.46 -0.12 1.46 4.64 0.04 -2.27 113.55 118.32 2b5i h SER 127 Ca 0.13 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 2b5i h SER 127 Cb 0.21 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2b5i h SER 127 CO -0.00 0.54 -0.46 0.40 -0.87 0.00 0.00 176.83 176.44 2b5i h ILE 128 N 0.35 1.36 -0.71 0.95 1.08 -1.01 -3.30 117.51 116.23 2b5i h ILE 128 Ca 0.10 -1.78 0.11 0.00 -0.39 0.00 0.00 64.86 62.90 2b5i h ILE 128 Cb 0.25 2.15 -0.08 0.00 -3.07 0.00 0.00 36.82 36.07 2b5i h ILE 128 CO -0.00 0.53 0.32 0.40 -0.69 0.00 0.00 178.15 178.71 2b5i h ILE 129 N 0.12 0.78 0.00 -0.67 2.04 -1.03 -1.55 117.51 117.20 2b5i h ILE 129 Ca -0.03 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2b5i h ILE 129 Cb 1.10 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2b5i h ILE 129 CO 0.10 0.10 -0.23 0.77 0.00 0.00 0.00 178.15 178.89 2b5i h SER 130 N 0.53 0.00 0.49 1.72 4.64 -1.49 -2.45 113.55 116.98 2b5i h SER 130 Ca 0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.39 2b5i h SER 130 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2b5i h SER 130 CO -0.32 0.23 -1.45 0.71 -0.87 0.00 0.00 176.83 175.13 2b5i h THR 131 N 0.00 1.26 -0.10 2.95 1.35 -1.50 -3.36 112.91 113.52 2b5i h THR 131 Ca -0.00 -2.86 0.03 0.00 -0.55 0.00 0.00 66.41 63.02 2b5i h THR 131 Cb 0.45 2.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2b5i h THR 131 CO 0.03 0.84 0.32 -0.07 -0.25 0.00 0.00 175.52 176.39 2b5i h LEU 132 N 0.08 0.00 0.00 3.87 4.07 -0.79 -3.52 115.31 119.01 2b5i h LEU 132 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2b5i h LEU 132 Cb 2.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.76 2b5i h LEU 132 CO 0.18 0.00 0.00 0.41 -1.08 0.00 0.00 178.44 177.95