#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc5 s ASP 2 N 0.00 4.95 0.17 0.00 1.47 -1.26 -4.86 116.67 117.13 2bc5 s ASP 2 Ca 0.00 0.85 -0.21 0.00 1.18 0.00 0.00 52.55 54.37 2bc5 s ASP 2 Cb 0.00 -1.50 0.08 0.00 -0.34 0.00 0.00 42.92 41.15 2bc5 s ASP 2 CO 0.00 -1.61 1.62 0.25 0.68 0.00 0.00 175.17 176.11 2bc5 h LEU 3 N -0.79 -0.80 -0.46 2.11 5.85 -1.94 -1.52 115.31 117.76 2bc5 h LEU 3 Ca -0.45 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.52 2bc5 h LEU 3 Cb 1.30 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.65 2bc5 h LEU 3 CO 0.64 -0.27 0.01 -0.33 -0.34 0.00 0.00 178.44 178.15 2bc5 h GLU 4 N -0.19 0.12 -0.31 1.25 5.08 -1.99 0.85 114.58 119.39 2bc5 h GLU 4 Ca 0.18 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2bc5 h GLU 4 Cb 0.47 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2bc5 h GLU 4 CO -0.48 0.08 0.19 -0.44 -1.00 0.00 0.00 179.01 177.36 2bc5 h ASP 5 N 0.12 0.32 -0.74 1.42 3.32 -1.78 -0.59 116.42 118.50 2bc5 h ASP 5 Ca 0.23 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2bc5 h ASP 5 Cb 0.34 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2bc5 h ASP 5 CO -0.38 0.23 0.46 0.78 -1.72 0.00 0.00 179.24 178.61 2bc5 h ASN 6 N 0.39 0.74 -0.49 6.45 2.35 -0.45 -1.26 115.58 123.31 2bc5 h ASN 6 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2bc5 h ASN 6 Cb -0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2bc5 h ASN 6 CO -0.04 0.50 0.24 0.24 -1.65 0.00 0.00 177.43 176.72 2bc5 h MET 7 N 0.88 0.71 -0.92 0.81 2.86 -0.32 -1.33 114.93 117.61 2bc5 h MET 7 Ca 0.30 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2bc5 h MET 7 Cb 0.06 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 2bc5 h MET 7 CO -0.13 0.60 0.60 1.49 1.06 0.00 0.00 176.91 180.53 2bc5 h GLU 8 N 0.65 1.22 -0.58 1.72 4.81 -0.56 -0.11 114.58 121.73 2bc5 h GLU 8 Ca 0.17 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2bc5 h GLU 8 Cb 0.12 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2bc5 h GLU 8 CO -0.02 0.81 0.29 1.15 -0.73 0.00 0.00 179.01 180.51 2bc5 h THR 9 N 1.25 1.20 -0.05 0.32 2.02 -0.74 0.16 112.91 117.07 2bc5 h THR 9 Ca 0.34 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2bc5 h THR 9 Cb -0.13 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2bc5 h THR 9 CO -0.07 0.23 0.02 -0.07 0.37 0.00 0.00 175.52 175.99 2bc5 h LEU 10 N 0.78 0.08 -0.33 2.58 3.38 -0.47 -0.86 115.31 120.46 2bc5 h LEU 10 Ca 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bc5 h LEU 10 Cb 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2bc5 h LEU 10 CO -0.03 0.25 0.20 -1.13 0.09 0.00 0.00 178.44 177.82 2bc5 h ASN 11 N -0.09 0.40 -0.11 -0.43 -1.24 -0.85 -1.15 115.58 112.11 2bc5 h ASN 11 Ca 0.02 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2bc5 h ASN 11 Cb 0.19 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2bc5 h ASN 11 CO -0.00 0.34 0.01 0.44 -1.29 0.00 0.00 177.43 176.93 2bc5 h ASP 12 N 0.43 -0.01 0.47 1.15 3.32 -0.59 -2.60 116.42 118.59 2bc5 h ASP 12 Ca 0.12 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2bc5 h ASP 12 Cb 0.01 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2bc5 h ASP 12 CO -0.02 0.01 -0.32 0.78 -1.72 0.00 0.00 179.24 177.97 2bc5 h ASN 13 N 0.06 0.00 -0.31 6.45 4.21 -1.03 -2.42 115.58 122.53 2bc5 h ASN 13 Ca 0.05 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 2bc5 h ASN 13 Cb 0.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 2bc5 h ASN 13 CO -0.07 0.32 0.08 0.25 -1.29 0.00 0.00 177.43 176.72 2bc5 h LEU 14 N 0.00 0.47 -1.55 1.61 5.85 -0.94 -1.35 115.31 119.40 2bc5 h LEU 14 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2bc5 h LEU 14 Cb 0.64 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2bc5 h LEU 14 CO 0.04 0.57 -0.24 0.07 -0.34 0.00 0.00 178.44 178.55 2bc5 h LYS 15 N 0.34 0.00 -0.18 1.25 5.09 -1.20 -2.06 116.57 119.81 2bc5 h LYS 15 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.82 2bc5 h LYS 15 Cb 0.28 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.61 2bc5 h LYS 15 CO 0.00 0.24 0.03 0.28 -2.09 0.00 0.00 179.45 177.91 2bc5 h VAL 16 N 0.00 1.22 -0.91 0.07 2.07 -0.93 -2.27 116.25 115.50 2bc5 h VAL 16 Ca -0.00 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2bc5 h VAL 16 Cb 0.48 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2bc5 h VAL 16 CO 0.03 0.22 0.58 0.40 0.02 0.00 0.00 177.57 178.82 2bc5 h ILE 17 N 0.10 1.10 -0.19 4.57 2.04 -0.66 0.14 117.51 124.61 2bc5 h ILE 17 Ca 0.06 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2bc5 h ILE 17 Cb 0.30 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2bc5 h ILE 17 CO 0.00 0.20 -0.08 -0.33 0.00 0.00 0.00 178.15 177.94 2bc5 h GLU 18 N 1.09 0.29 0.00 2.37 5.08 -1.21 -1.73 114.58 120.47 2bc5 h GLU 18 Ca 0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2bc5 h GLU 18 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2bc5 h GLU 18 CO -0.15 0.39 -0.33 0.87 -1.00 0.00 0.00 179.01 178.79 2bc5 h LYS 19 N 0.28 0.00 0.00 2.33 1.57 -0.70 -3.48 116.57 116.56 2bc5 h LYS 19 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2bc5 h LYS 19 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2bc5 h LYS 19 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 2bc5 n ALA 20 N -2.05 0.00 -0.10 3.86 0.00 0.39 -4.87 120.51 117.75 2bc5 n ALA 20 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 2bc5 n ALA 20 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 2bc5 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bc5 h ASP 21 N 0.00 0.00 -3.65 0.00 3.32 -1.88 -3.50 116.42 110.70 2bc5 h ASP 21 Ca 0.00 -0.39 -0.46 0.00 0.02 0.00 0.00 57.03 56.20 2bc5 h ASP 21 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2bc5 h ASP 21 CO 0.00 1.30 -0.58 0.54 -1.72 0.00 0.00 179.24 178.77 2bc5 s ASN 22 N -6.56 2.11 0.16 6.45 2.20 -1.26 -5.06 114.94 112.98 2bc5 s ASN 22 Ca -0.25 -1.47 -0.13 0.00 -0.94 0.00 0.00 52.86 50.07 2bc5 s ASN 22 Cb 0.05 0.16 0.05 0.00 -2.00 0.00 0.00 41.25 39.51 2bc5 s ASN 22 CO 0.50 -0.74 1.72 0.00 -2.94 0.00 0.00 177.10 175.64 2bc5 h ALA 23 N 2.11 0.68 -0.47 3.54 0.00 -1.96 -2.90 119.26 120.26 2bc5 h ALA 23 Ca -0.38 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2bc5 h ALA 23 Cb 1.25 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2bc5 h ALA 23 CO 0.63 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 180.11 2bc5 h ALA 24 N 1.07 0.39 -0.85 0.00 0.00 -1.97 -0.29 119.26 117.60 2bc5 h ALA 24 Ca 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2bc5 h ALA 24 Cb 0.17 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2bc5 h ALA 24 CO -0.02 -0.42 0.39 1.96 0.00 0.00 0.00 179.25 181.17 2bc5 h GLN 25 N 0.06 1.23 -0.41 0.00 1.08 -1.94 -1.18 115.11 113.95 2bc5 h GLN 25 Ca 0.23 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2bc5 h GLN 25 Cb 0.35 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2bc5 h GLN 25 CO -0.43 0.95 0.02 0.28 -0.95 0.00 0.00 178.83 178.69 2bc5 h VAL 26 N 1.21 1.26 -0.54 -0.54 2.07 -1.10 -1.57 116.25 117.03 2bc5 h VAL 26 Ca 0.29 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2bc5 h VAL 26 Cb 0.14 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2bc5 h VAL 26 CO -0.03 0.33 0.26 0.11 0.02 0.00 0.00 177.57 178.26 2bc5 h LYS 27 N 0.54 0.78 -0.34 1.57 1.57 -0.86 -0.19 116.57 119.63 2bc5 h LYS 27 Ca 0.12 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2bc5 h LYS 27 Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2bc5 h LYS 27 CO 0.02 0.65 0.20 0.22 -0.57 0.00 0.00 179.45 179.97 2bc5 h ASP 28 N 0.73 0.42 -0.27 0.86 -0.00 -1.11 -0.04 116.42 117.01 2bc5 h ASP 28 Ca 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.03 57.13 2bc5 h ASP 28 Cb 0.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 2bc5 h ASP 28 CO -0.02 0.37 0.11 0.00 -0.00 0.00 0.00 179.24 179.70 2bc5 h ALA 29 N 1.07 0.35 -0.77 -0.78 0.00 -1.07 -1.71 119.26 116.36 2bc5 h ALA 29 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bc5 h ALA 29 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2bc5 h ALA 29 CO -0.02 -0.06 0.51 -0.07 0.00 0.00 0.00 179.25 179.60 2bc5 h LEU 30 N 0.29 0.88 -0.96 0.00 3.38 -0.83 -0.77 115.31 117.30 2bc5 h LEU 30 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2bc5 h LEU 30 Cb 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2bc5 h LEU 30 CO -0.01 0.63 0.57 0.74 0.09 0.00 0.00 178.44 180.46 2bc5 h THR 31 N 1.04 1.26 -0.07 0.22 2.02 -0.77 0.07 112.91 116.67 2bc5 h THR 31 Ca 0.28 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 2bc5 h THR 31 Cb -0.12 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.21 2bc5 h THR 31 CO -0.06 0.27 -0.53 0.11 0.37 0.00 0.00 175.52 175.68 2bc5 h LYS 32 N 1.31 0.19 -0.41 6.66 1.57 -0.71 -2.62 116.57 122.56 2bc5 h LYS 32 Ca 0.34 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2bc5 h LYS 32 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2bc5 h LYS 32 CO -0.06 0.68 -0.29 0.52 -0.57 0.00 0.00 179.45 179.73 2bc5 h MET 33 N 0.15 0.88 -0.14 3.15 2.86 -0.38 -1.99 114.93 119.47 2bc5 h MET 33 Ca 0.00 -0.40 0.03 0.00 -2.06 0.00 0.00 59.70 57.26 2bc5 h MET 33 Cb 0.99 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2bc5 h MET 33 CO 0.08 1.05 -0.03 -0.09 1.06 0.00 0.00 176.91 178.99 2bc5 h ARG 34 N 0.74 0.01 -0.56 1.72 2.43 -0.71 0.23 114.38 118.25 2bc5 h ARG 34 Ca 0.08 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2bc5 h ARG 34 Cb 0.85 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2bc5 h ARG 34 CO 0.07 0.01 0.18 0.00 -1.51 0.00 0.00 179.97 178.72 2bc5 h ALA 35 N 1.13 0.73 -0.54 2.80 0.00 -1.42 -1.49 119.26 120.46 2bc5 h ALA 35 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2bc5 h ALA 35 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bc5 h ALA 35 CO -0.13 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.45 2bc5 h ALA 36 N 1.05 0.87 -0.19 0.00 0.00 -1.09 -0.79 119.26 119.10 2bc5 h ALA 36 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2bc5 h ALA 36 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bc5 h ALA 36 CO -0.01 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2bc5 h ALA 37 N 1.04 0.25 -0.19 0.00 0.00 -0.34 -0.16 119.26 119.86 2bc5 h ALA 37 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2bc5 h ALA 37 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2bc5 h ALA 37 CO 0.04 -0.08 -0.16 -0.07 0.00 0.00 0.00 179.25 178.99 2bc5 h LEU 38 N 0.11 0.31 -0.22 0.00 3.38 -1.15 -1.26 115.31 116.47 2bc5 h LEU 38 Ca 0.06 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2bc5 h LEU 38 Cb 0.31 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bc5 h LEU 38 CO 0.00 0.49 -0.22 -0.78 0.09 0.00 0.00 178.44 178.03 2bc5 h ASP 39 N 0.30 0.57 -0.60 -0.43 3.58 -0.95 -3.05 116.42 115.84 2bc5 h ASP 39 Ca 0.06 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 2bc5 h ASP 39 Cb 0.46 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2bc5 h ASP 39 CO 0.03 0.93 0.34 0.00 -2.88 0.00 0.00 179.24 177.66 2bc5 h ALA 40 N 0.66 1.44 -0.11 -0.78 0.00 -0.68 -2.17 119.26 117.63 2bc5 h ALA 40 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2bc5 h ALA 40 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bc5 h ALA 40 CO 0.05 0.46 0.18 0.37 0.00 0.00 0.00 179.25 180.32 2bc5 h GLN 41 N 0.86 0.00 -0.01 0.00 4.15 -1.12 -1.19 115.11 117.80 2bc5 h GLN 41 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2bc5 h GLN 41 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2bc5 h GLN 41 CO -0.04 0.00 -0.32 0.36 -1.93 0.00 0.00 178.83 176.90 2bc5 n LYS 42 N -3.48 0.64 -2.25 1.69 2.85 -0.81 -4.80 118.16 112.01 2bc5 n LYS 42 Ca -0.00 -0.38 -0.26 0.00 -1.05 0.00 0.00 58.31 56.61 2bc5 n LYS 42 Cb 0.28 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.22 2bc5 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2bc5 s ALA 43 N -2.62 3.19 -0.33 0.58 0.00 -0.45 -5.06 121.76 117.07 2bc5 s ALA 43 Ca 0.21 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2bc5 s ALA 43 Cb 0.19 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.72 2bc5 s ALA 43 CO 0.57 -1.10 0.06 0.99 0.00 0.00 0.00 175.76 176.28 2bc5 s THR 44 N -3.16 3.25 0.67 0.00 2.01 -1.26 -5.05 115.64 112.10 2bc5 s THR 44 Ca 0.58 -1.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 2bc5 s THR 44 Cb -0.11 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2bc5 s THR 44 CO 0.45 -0.22 1.17 -2.16 -0.69 0.00 0.00 174.62 173.18 2bc5 s PRO 45 N 1.28 2.60 0.21 4.92 0.04 -1.26 -4.80 135.00 137.99 2bc5 s PRO 45 Ca -0.02 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 2bc5 s PRO 45 Cb -0.20 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 32.68 2bc5 s PRO 45 CO -0.00 -1.46 1.63 -1.35 0.04 0.00 0.00 177.00 175.86 2bc5 h PRO 46 N 0.15 0.02 0.00 0.56 0.11 -1.99 -0.59 132.00 130.26 2bc5 h PRO 46 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bc5 h PRO 46 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2bc5 h PRO 46 CO 0.53 0.01 0.00 1.63 -0.21 0.00 0.00 178.00 179.96 2bc5 n LYS 47 N -5.40 0.01 -0.01 1.05 4.01 -1.26 -1.79 118.16 114.77 2bc5 n LYS 47 Ca 0.08 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 2bc5 n LYS 47 Cb 0.33 -1.54 0.01 0.00 -0.51 0.00 0.00 35.03 33.31 2bc5 n LYS 47 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2bc5 n LEU 48 N -1.57 1.67 -0.14 -0.35 4.77 -0.27 -4.77 117.00 116.34 2bc5 n LEU 48 Ca 0.00 -1.71 0.22 0.00 -0.03 0.00 0.00 56.01 54.50 2bc5 n LEU 48 Cb 0.02 -0.02 0.64 0.00 -2.33 0.00 0.00 43.42 41.74 2bc5 n LEU 48 CO 0.03 0.42 1.22 -0.33 -1.33 0.00 0.00 177.39 177.40 2bc5 h GLU 49 N 0.00 0.14 -0.05 3.23 5.08 -0.89 0.61 114.58 122.71 2bc5 h GLU 49 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bc5 h GLU 49 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2bc5 h GLU 49 CO 0.00 0.09 0.00 -0.25 -1.00 0.00 0.00 179.01 177.85 2bc5 n ASP 50 N -4.38 1.91 -4.91 1.42 10.43 -1.26 -4.93 116.55 114.82 2bc5 n ASP 50 Ca 0.16 -1.65 -0.29 0.00 2.57 0.00 0.00 54.79 55.58 2bc5 n ASP 50 Cb 0.74 -0.02 -0.04 0.00 1.84 0.00 0.00 41.12 43.64 2bc5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2bc5 s LYS 51 N -1.96 3.57 0.52 -1.24 -0.14 0.21 -5.08 119.74 115.62 2bc5 s LYS 51 Ca 0.35 -0.19 -0.20 0.00 -1.36 0.00 0.00 55.97 54.57 2bc5 s LYS 51 Cb 0.20 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 2bc5 s LYS 51 CO 0.32 0.38 1.11 -1.54 -0.76 0.00 0.00 175.35 174.86 2bc5 s SER 52 N -2.96 5.92 0.46 2.83 1.04 -1.26 -4.93 113.70 114.80 2bc5 s SER 52 Ca 0.40 2.14 0.16 0.00 0.48 0.00 0.00 55.95 59.14 2bc5 s SER 52 Cb -0.11 -2.58 1.13 0.00 0.10 0.00 0.00 66.02 64.56 2bc5 s SER 52 CO 0.28 -1.08 2.01 -0.65 0.98 0.00 0.00 173.24 174.78 2bc5 h PRO 53 N 1.40 0.27 -0.56 4.02 0.11 -1.98 -1.30 132.00 133.96 2bc5 h PRO 53 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bc5 h PRO 53 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bc5 h PRO 53 CO 0.58 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 2bc5 n ASP 54 N -4.46 3.24 -4.73 -2.05 10.43 -1.26 -4.62 116.55 113.09 2bc5 n ASP 54 Ca 0.08 -1.98 -0.33 0.00 2.57 0.00 0.00 54.79 55.13 2bc5 n ASP 54 Cb 0.37 -0.37 0.10 0.00 1.84 0.00 0.00 41.12 43.05 2bc5 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2bc5 s SER 55 N -1.10 4.21 0.34 -2.24 1.04 -0.49 -4.82 113.70 110.64 2bc5 s SER 55 Ca 0.41 2.14 0.04 0.00 0.48 0.00 0.00 55.95 59.01 2bc5 s SER 55 Cb 0.21 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 64.43 2bc5 s SER 55 CO 0.29 -2.24 1.96 -0.65 0.98 0.00 0.00 173.24 173.58 2bc5 h PRO 56 N -0.68 0.83 -0.26 4.02 0.11 -1.94 -2.04 132.00 132.04 2bc5 h PRO 56 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bc5 h PRO 56 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2bc5 h PRO 56 CO 0.49 0.55 0.17 0.93 -0.21 0.00 0.00 178.00 179.93 2bc5 h GLU 57 N 0.85 0.35 -0.61 1.05 3.07 -1.93 0.09 114.58 117.45 2bc5 h GLU 57 Ca 0.31 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 2bc5 h GLU 57 Cb 0.15 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2bc5 h GLU 57 CO -0.10 0.25 0.17 0.52 -1.40 0.00 0.00 179.01 178.45 2bc5 h MET 58 N 0.34 0.97 -0.38 2.33 2.86 -1.70 0.35 114.93 119.70 2bc5 h MET 58 Ca 0.09 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2bc5 h MET 58 Cb -0.01 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 2bc5 h MET 58 CO -0.02 0.88 0.01 -1.49 1.06 0.00 0.00 176.91 177.35 2bc5 h TRP 59 N 0.89 0.61 -0.44 -0.22 4.06 -1.16 0.35 115.95 120.05 2bc5 h TRP 59 Ca 0.20 -0.06 -0.14 0.00 2.06 0.00 0.00 58.89 60.94 2bc5 h TRP 59 Cb 0.33 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2bc5 h TRP 59 CO 0.02 0.58 -0.29 0.22 -3.56 0.00 0.00 178.44 175.42 2bc5 h ASP 60 N 0.56 1.01 0.04 -3.49 3.58 -0.35 0.79 116.42 118.56 2bc5 h ASP 60 Ca 0.12 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2bc5 h ASP 60 Cb 0.34 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2bc5 h ASP 60 CO 0.01 1.22 -0.03 0.15 -2.88 0.00 0.00 179.24 177.70 2bc5 h PHE 61 N 0.82 -0.09 -0.25 0.28 3.57 0.65 -1.80 116.94 120.11 2bc5 h PHE 61 Ca 0.09 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2bc5 h PHE 61 Cb 0.88 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2bc5 h PHE 61 CO 0.06 -0.06 -0.02 0.00 -2.23 0.00 0.00 178.31 176.06 2bc5 h ARG 62 N -0.08 0.38 -0.69 1.11 3.08 -0.17 -2.67 114.38 115.34 2bc5 h ARG 62 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2bc5 h ARG 62 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2bc5 h ARG 62 CO -0.01 0.43 0.39 1.25 -1.07 0.00 0.00 179.97 180.96 2bc5 h HIS 63 N 0.37 0.93 -1.01 3.04 2.76 -0.13 -2.04 115.15 119.07 2bc5 h HIS 63 Ca 0.08 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.43 2bc5 h HIS 63 Cb 0.28 -0.30 -0.11 0.00 1.55 0.00 0.00 27.41 28.83 2bc5 h HIS 63 CO 0.01 0.66 0.61 0.78 -1.30 0.00 0.00 177.93 178.68 2bc5 h GLY 64 N 0.94 1.81 1.64 5.26 0.00 -0.98 0.44 103.07 112.18 2bc5 h GLY 64 Ca 0.24 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 2bc5 h GLY 64 CO -0.04 -0.09 -0.63 0.74 0.00 0.00 0.00 176.54 176.52 2bc5 h PHE 65 N 0.74 0.47 -0.49 5.60 -1.00 -1.43 -2.14 116.94 118.69 2bc5 h PHE 65 Ca 0.59 -0.19 0.03 0.00 2.81 0.00 0.00 57.97 61.22 2bc5 h PHE 65 Cb 0.94 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.38 2bc5 h PHE 65 CO -0.00 0.90 0.27 -0.44 -1.61 0.00 0.00 178.31 177.42 2bc5 h ASP 66 N 0.27 0.41 -0.20 2.17 3.32 -0.53 0.95 116.42 122.80 2bc5 h ASP 66 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2bc5 h ASP 66 Cb 1.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2bc5 h ASP 66 CO 0.11 0.28 0.13 0.40 -1.72 0.00 0.00 179.24 178.44 2bc5 h ILE 67 N 0.53 1.05 -0.65 0.35 1.08 -1.23 -1.41 117.51 117.23 2bc5 h ILE 67 Ca 0.21 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2bc5 h ILE 67 Cb 0.08 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 2bc5 h ILE 67 CO -0.13 0.05 0.39 0.25 -0.69 0.00 0.00 178.15 178.02 2bc5 h LEU 68 N 0.27 0.78 -0.87 1.44 5.85 -0.80 -1.14 115.31 120.83 2bc5 h LEU 68 Ca 0.07 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2bc5 h LEU 68 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2bc5 h LEU 68 CO -0.02 0.62 0.03 0.58 -0.34 0.00 0.00 178.44 179.31 2bc5 h VAL 69 N 0.88 1.25 -0.16 1.05 2.07 -0.67 0.10 116.25 120.77 2bc5 h VAL 69 Ca 0.23 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2bc5 h VAL 69 Cb -0.02 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2bc5 h VAL 69 CO -0.04 0.36 0.08 1.23 0.02 0.00 0.00 177.57 179.22 2bc5 h GLY 70 N 0.99 0.24 1.03 2.17 0.00 -0.72 0.22 103.07 106.99 2bc5 h GLY 70 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2bc5 h GLY 70 CO 0.02 0.11 0.46 1.46 0.00 0.00 0.00 176.54 178.58 2bc5 h GLN 71 N 0.15 1.20 -0.44 4.80 4.20 -0.88 0.11 115.11 124.25 2bc5 h GLN 71 Ca 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2bc5 h GLN 71 Cb 0.08 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2bc5 h GLN 71 CO -0.01 0.89 0.18 0.82 -0.67 0.00 0.00 178.83 180.04 2bc5 h ILE 72 N 1.19 1.20 -0.28 2.54 2.04 -0.38 -1.22 117.51 122.60 2bc5 h ILE 72 Ca 0.30 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 2bc5 h ILE 72 Cb 0.05 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2bc5 h ILE 72 CO -0.05 0.22 -0.07 0.44 0.00 0.00 0.00 178.15 178.69 2bc5 h ASP 73 N 0.56 0.43 -0.11 1.72 3.32 -0.04 0.88 116.42 123.18 2bc5 h ASP 73 Ca 0.15 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2bc5 h ASP 73 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2bc5 h ASP 73 CO -0.01 0.55 -0.33 -0.78 -1.72 0.00 0.00 179.24 176.94 2bc5 h ASP 74 N 0.43 0.63 -0.10 6.45 1.82 -0.61 -0.73 116.42 124.30 2bc5 h ASP 74 Ca 0.09 -0.25 -0.11 0.00 -0.39 0.00 0.00 57.03 56.37 2bc5 h ASP 74 Cb 0.40 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2bc5 h ASP 74 CO 0.02 0.91 -0.27 0.00 -1.61 0.00 0.00 179.24 178.29 2bc5 h ALA 75 N 1.12 1.01 -0.28 -0.78 0.00 -0.27 -2.27 119.26 117.80 2bc5 h ALA 75 Ca 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bc5 h ALA 75 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2bc5 h ALA 75 CO 0.07 0.59 0.16 -0.07 0.00 0.00 0.00 179.25 180.00 2bc5 h LEU 76 N 0.49 0.35 -0.30 0.00 -0.00 -0.15 0.42 115.31 116.12 2bc5 h LEU 76 Ca 0.07 -0.07 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2bc5 h LEU 76 Cb 0.73 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.25 2bc5 h LEU 76 CO 0.06 0.32 -0.00 0.50 -0.00 0.00 0.00 178.44 179.32 2bc5 h LYS 77 N 0.35 0.08 -0.47 1.13 3.64 -0.93 0.91 116.57 121.28 2bc5 h LYS 77 Ca 0.10 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2bc5 h LYS 77 Cb 0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2bc5 h LYS 77 CO -0.02 0.06 0.27 -0.07 -2.27 0.00 0.00 179.45 177.42 2bc5 h LEU 78 N 0.09 0.44 -0.79 5.20 3.38 -1.06 -1.38 115.31 121.18 2bc5 h LEU 78 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2bc5 h LEU 78 Cb 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2bc5 h LEU 78 CO -0.24 0.31 0.45 0.00 0.09 0.00 0.00 178.44 179.05 2bc5 h ALA 79 N 1.21 1.01 0.00 1.53 0.00 -0.28 -1.33 119.26 121.40 2bc5 h ALA 79 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bc5 h ALA 79 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2bc5 h ALA 79 CO -0.09 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.75 2bc5 n ASN 80 N -4.44 0.00 -0.62 0.00 5.03 0.26 -1.45 115.26 114.04 2bc5 n ASN 80 Ca 0.08 -0.23 0.13 0.00 0.87 0.00 0.00 54.58 55.43 2bc5 n ASN 80 Cb 0.08 -0.23 0.35 0.00 -1.02 0.00 0.00 39.78 38.96 2bc5 n ASN 80 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bc5 n GLU 81 N -1.23 1.79 -0.70 3.52 1.02 -0.55 -4.93 120.64 119.57 2bc5 n GLU 81 Ca 0.13 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 2bc5 n GLU 81 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2bc5 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bc5 n GLY 82 N 1.26 1.00 3.29 0.62 0.00 -0.53 -4.97 105.19 105.86 2bc5 n GLY 82 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2bc5 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bc5 n LYS 83 N -2.00 3.41 -0.23 1.61 5.02 -0.91 -4.83 118.16 120.22 2bc5 n LYS 83 Ca 0.00 -3.68 -0.07 0.00 -2.02 0.00 0.00 58.31 52.54 2bc5 n LYS 83 Cb 0.00 -3.05 0.04 0.00 -0.02 0.00 0.00 35.03 31.99 2bc5 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bc5 h VAL 84 N 4.46 1.23 -0.39 -0.18 2.07 -1.85 -2.06 116.25 119.53 2bc5 h VAL 84 Ca 0.36 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2bc5 h VAL 84 Cb 0.80 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2bc5 h VAL 84 CO 1.38 0.28 -0.01 0.11 0.02 0.00 0.00 177.57 179.35 2bc5 h LYS 85 N 0.90 0.70 -0.83 1.57 1.57 -1.97 -1.16 116.57 117.35 2bc5 h LYS 85 Ca 0.22 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2bc5 h LYS 85 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2bc5 h LYS 85 CO -0.02 0.80 0.40 0.93 -0.57 0.00 0.00 179.45 180.99 2bc5 h GLU 86 N 0.52 1.20 -0.73 3.15 5.08 -1.94 0.14 114.58 121.99 2bc5 h GLU 86 Ca 0.11 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2bc5 h GLU 86 Cb 0.49 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2bc5 h GLU 86 CO 0.02 0.92 0.33 0.00 -1.00 0.00 0.00 179.01 179.28 2bc5 h ALA 87 N 1.25 0.94 -0.60 3.43 0.00 -1.13 0.99 119.26 124.14 2bc5 h ALA 87 Ca 0.29 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2bc5 h ALA 87 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bc5 h ALA 87 CO -0.04 0.53 0.02 1.96 0.00 0.00 0.00 179.25 181.73 2bc5 h GLN 88 N 1.03 1.03 -0.50 0.00 4.20 -0.54 -0.57 115.11 119.76 2bc5 h GLN 88 Ca 0.25 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2bc5 h GLN 88 Cb 0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2bc5 h GLN 88 CO -0.03 1.00 0.33 0.00 -0.67 0.00 0.00 178.83 179.46 2bc5 h ALA 89 N 1.06 0.63 -0.73 3.87 0.00 -0.42 -1.39 119.26 122.29 2bc5 h ALA 89 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2bc5 h ALA 89 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2bc5 h ALA 89 CO 0.03 0.08 0.42 0.00 0.00 0.00 0.00 179.25 179.78 2bc5 h ALA 90 N 1.18 1.38 -0.20 0.00 0.00 -0.32 -1.23 119.26 120.07 2bc5 h ALA 90 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2bc5 h ALA 90 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2bc5 h ALA 90 CO -0.04 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.67 2bc5 h ALA 91 N 1.46 1.51 -0.57 0.00 0.00 -0.10 -2.38 119.26 119.18 2bc5 h ALA 91 Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2bc5 h ALA 91 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bc5 h ALA 91 CO -0.05 0.35 0.01 0.93 0.00 0.00 0.00 179.25 180.49 2bc5 h GLU 92 N 0.30 1.01 -0.28 0.00 4.39 -0.24 -2.83 114.58 116.92 2bc5 h GLU 92 Ca 0.07 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2bc5 h GLU 92 Cb 0.31 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2bc5 h GLU 92 CO 0.01 1.00 0.11 1.96 -1.16 0.00 0.00 179.01 180.94 2bc5 h GLN 93 N 0.90 0.39 -0.99 2.33 4.20 -0.92 -2.76 115.11 118.27 2bc5 h GLN 93 Ca 0.16 -0.04 0.25 0.00 0.06 0.00 0.00 58.65 59.08 2bc5 h GLN 93 Cb 0.54 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.12 2bc5 h GLN 93 CO 0.03 0.33 0.56 -0.07 -0.67 0.00 0.00 178.83 179.01 2bc5 h LEU 94 N 0.40 0.62 -1.13 1.46 3.38 -1.23 -2.25 115.31 116.55 2bc5 h LEU 94 Ca 0.10 0.14 0.39 0.00 0.09 0.00 0.00 57.88 58.60 2bc5 h LEU 94 Cb 0.08 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2bc5 h LEU 94 CO -0.01 0.08 0.65 0.11 0.09 0.00 0.00 178.44 179.35 2bc5 h LYS 95 N 0.54 0.14 -0.95 1.13 1.57 -1.62 0.66 116.57 118.04 2bc5 h LYS 95 Ca 0.64 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.54 2bc5 h LYS 95 Cb 1.22 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 2bc5 h LYS 95 CO -0.49 0.09 0.60 1.15 -0.57 0.00 0.00 179.45 180.23 2bc5 h THR 96 N 0.14 0.87 -0.31 -0.16 2.02 -1.64 0.15 112.91 113.99 2bc5 h THR 96 Ca 0.80 -0.29 -0.14 0.00 0.77 0.00 0.00 66.41 67.55 2bc5 h THR 96 Cb 2.14 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2bc5 h THR 96 CO -0.60 0.15 -0.36 0.74 0.37 0.00 0.00 175.52 175.82 2bc5 h THR 97 N 0.84 1.29 0.21 3.16 2.02 0.14 -1.82 112.91 118.76 2bc5 h THR 97 Ca 0.48 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2bc5 h THR 97 Cb 0.61 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2bc5 h THR 97 CO -0.24 0.50 -0.17 0.00 0.37 0.00 0.00 175.52 175.98 2bc5 h ASN 99 N -0.39 1.01 -0.19 0.00 -0.26 -1.02 -1.75 115.58 112.99 2bc5 h ASN 99 Ca -0.01 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 2bc5 h ASN 99 Cb 0.35 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2bc5 h ASN 99 CO -0.01 0.75 0.05 0.00 -1.06 0.00 0.00 177.43 177.15 2bc5 h ALA 100 N 1.31 0.20 -0.24 -0.83 0.00 -1.19 -0.98 119.26 117.52 2bc5 h ALA 100 Ca 0.32 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2bc5 h ALA 100 Cb -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bc5 h ALA 100 CO -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 179.25 178.86 2bc5 h HIS 102 N 0.21 0.93 -0.59 0.00 -0.00 -1.11 0.19 115.15 114.79 2bc5 h HIS 102 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2bc5 h HIS 102 Cb 0.28 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 2bc5 h HIS 102 CO 0.01 0.46 0.38 0.37 -0.00 0.00 0.00 177.93 179.16 2bc5 h GLN 103 N 0.90 0.77 0.19 2.45 5.75 -0.94 -0.35 115.11 123.88 2bc5 h GLN 103 Ca 0.38 -0.05 -0.32 0.00 -0.15 0.00 0.00 58.65 58.51 2bc5 h GLN 103 Cb 0.31 -0.17 0.02 0.00 1.07 0.00 0.00 27.48 28.70 2bc5 h GLN 103 CO -0.15 0.52 -1.52 0.87 -2.65 0.00 0.00 178.83 175.90 2bc5 h LYS 104 N 0.79 0.40 -0.00 1.69 1.57 -1.30 -3.42 116.57 116.30 2bc5 h LYS 104 Ca 0.21 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2bc5 h LYS 104 Cb -0.08 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2bc5 h LYS 104 CO -0.05 1.33 -0.14 0.66 -0.57 0.00 0.00 179.45 180.68 2bc5 n TYR 105 N -3.75 0.00 1.93 -1.35 4.02 0.62 -5.11 117.16 113.53 2bc5 n TYR 105 Ca -0.22 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.83 2bc5 n TYR 105 Cb 1.02 0.00 0.89 0.00 -0.02 0.00 0.00 39.34 41.24 2bc5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72