#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc s ASP 8 N 0.00 4.41 0.27 -1.34 1.47 -1.26 -5.01 116.67 115.21 2bkc s ASP 8 Ca 0.00 -1.44 0.00 0.00 1.18 0.00 0.00 52.55 52.29 2bkc s ASP 8 Cb 0.00 0.49 0.53 0.00 -0.34 0.00 0.00 42.92 43.59 2bkc s ASP 8 CO 0.00 -1.00 1.82 0.74 0.68 0.00 0.00 175.17 177.41 2bkc h THR 9 N 1.01 0.89 -0.10 2.11 2.02 -1.98 -2.28 112.91 114.59 2bkc h THR 9 Ca -0.40 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2bkc h THR 9 Cb 1.31 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2bkc h THR 9 CO 0.65 0.17 0.06 0.11 0.37 0.00 0.00 175.52 176.87 2bkc h LYS 10 N 0.91 0.13 -0.07 6.66 1.57 -1.98 -1.60 116.57 122.18 2bkc h LYS 10 Ca 0.48 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.15 2bkc h LYS 10 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2bkc h LYS 10 CO -0.28 0.10 -0.42 0.93 -0.57 0.00 0.00 179.45 179.21 2bkc h GLU 11 N 0.12 0.16 -0.03 3.15 5.08 -1.88 -1.60 114.58 119.57 2bkc h GLU 11 Ca 0.03 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 11 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2bkc h GLU 11 CO -0.01 0.55 0.01 0.35 -1.00 0.00 0.00 179.01 178.92 2bkc h PHE 12 N 0.13 0.04 -0.62 4.33 3.57 -1.01 -0.12 116.94 123.27 2bkc h PHE 12 Ca 0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2bkc h PHE 12 Cb 0.80 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2bkc h PHE 12 CO 0.01 0.16 0.16 -0.07 -2.23 0.00 0.00 178.31 176.34 2bkc h LEU 13 N -0.09 0.92 -1.00 0.59 4.07 -1.11 -1.49 115.31 117.20 2bkc h LEU 13 Ca 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 2bkc h LEU 13 Cb 0.13 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2bkc h LEU 13 CO -0.00 0.91 0.33 -1.13 -1.08 0.00 0.00 178.44 177.46 2bkc h ASN 14 N 0.89 0.95 -0.23 -0.43 -0.73 -1.24 -0.27 115.58 114.51 2bkc h ASN 14 Ca 0.19 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2bkc h ASN 14 Cb 0.34 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 2bkc h ASN 14 CO -0.00 0.82 0.07 -0.74 -0.37 0.00 0.00 177.43 177.21 2bkc h HIS 15 N 1.03 0.45 0.00 0.67 2.76 -0.40 -2.42 115.15 117.23 2bkc h HIS 15 Ca 0.25 -0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2bkc h HIS 15 Cb 0.14 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 2bkc h HIS 15 CO 0.01 0.40 -0.65 1.96 -1.30 0.00 0.00 177.93 178.35 2bkc h GLN 16 N 0.44 0.00 -0.37 5.26 1.08 -0.34 -1.50 115.11 119.68 2bkc h GLN 16 Ca 0.11 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2bkc h GLN 16 Cb 0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 2bkc h GLN 16 CO -0.00 0.55 0.02 0.28 -0.95 0.00 0.00 178.83 178.74 2bkc h VAL 17 N 0.00 0.75 -0.45 -0.54 2.07 -0.61 -0.31 116.25 117.16 2bkc h VAL 17 Ca -0.02 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2bkc h VAL 17 Cb 1.46 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2bkc h VAL 17 CO 0.07 0.02 0.05 0.00 0.02 0.00 0.00 177.57 177.73 2bkc h ALA 18 N 1.31 0.60 -0.02 1.67 0.00 -1.35 -2.51 119.26 118.96 2bkc h ALA 18 Ca 0.18 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2bkc h ALA 18 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2bkc h ALA 18 CO -0.28 0.35 -0.11 -0.91 0.00 0.00 0.00 179.25 178.29 2bkc h ASN 19 N 0.62 -0.33 -0.49 0.00 2.35 -1.02 -2.56 115.58 114.15 2bkc h ASN 19 Ca 0.13 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2bkc h ASN 19 Cb 0.43 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 2bkc h ASN 19 CO 0.01 -0.16 0.24 -0.07 -1.65 0.00 0.00 177.43 175.81 2bkc h LEU 20 N -0.18 0.67 -0.80 1.61 4.07 -1.03 -0.60 115.31 119.06 2bkc h LEU 20 Ca 0.05 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 2bkc h LEU 20 Cb 0.24 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2bkc h LEU 20 CO -0.13 0.58 -0.33 0.78 -1.08 0.00 0.00 178.44 178.26 2bkc h ASN 21 N 0.75 0.54 -0.13 -0.43 2.35 -1.28 -2.07 115.58 115.31 2bkc h ASN 21 Ca 0.18 -0.21 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 2bkc h ASN 21 Cb 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2bkc h ASN 21 CO -0.02 0.84 -0.64 0.58 -1.65 0.00 0.00 177.43 176.54 2bkc h VAL 22 N 0.45 1.29 -0.49 2.81 2.07 -0.93 -3.11 116.25 118.34 2bkc h VAL 22 Ca 0.05 -1.86 -0.11 0.00 0.82 0.00 0.00 66.70 65.61 2bkc h VAL 22 Cb 0.79 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2bkc h VAL 22 CO 0.06 0.59 -0.13 0.15 0.02 0.00 0.00 177.57 178.27 2bkc h PHE 23 N 0.55 1.02 -0.35 1.57 3.57 -0.99 -0.96 116.94 121.35 2bkc h PHE 23 Ca -0.01 -0.21 -0.12 0.00 3.53 0.00 0.00 57.97 61.16 2bkc h PHE 23 Cb 1.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2bkc h PHE 23 CO 0.07 0.97 -0.25 1.15 -2.23 0.00 0.00 178.31 178.03 2bkc h THR 24 N 0.81 1.29 -0.21 4.41 2.02 -1.47 0.20 112.91 119.96 2bkc h THR 24 Ca 0.13 -1.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 2bkc h THR 24 Cb 0.66 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2bkc h THR 24 CO 0.05 0.46 -0.20 0.58 0.37 0.00 0.00 175.52 176.77 2bkc h VAL 25 N 0.56 1.24 -0.54 3.16 2.07 -1.46 -2.57 116.25 118.71 2bkc h VAL 25 Ca 0.07 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2bkc h VAL 25 Cb 0.81 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2bkc h VAL 25 CO 0.07 0.34 0.02 0.50 0.02 0.00 0.00 177.57 178.52 2bkc h LYS 26 N 0.34 0.95 -0.53 1.57 3.64 -0.43 -1.02 116.57 121.09 2bkc h LYS 26 Ca 0.06 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2bkc h LYS 26 Cb 0.55 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2bkc h LYS 26 CO 0.04 0.95 0.32 0.82 -2.27 0.00 0.00 179.45 179.31 2bkc h ILE 27 N 0.83 1.07 -0.93 2.00 2.04 -0.52 -1.02 117.51 120.98 2bkc h ILE 27 Ca 0.16 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2bkc h ILE 27 Cb 0.51 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2bkc h ILE 27 CO 0.02 0.12 0.60 0.45 0.00 0.00 0.00 178.15 179.35 2bkc h HIS 28 N 0.64 1.09 -0.39 1.37 3.86 -1.32 -1.65 115.15 118.75 2bkc h HIS 28 Ca 0.21 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2bkc h HIS 28 Cb 0.00 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 2bkc h HIS 28 CO -0.06 0.57 0.23 0.37 0.86 0.00 0.00 177.93 179.89 2bkc h GLN 29 N 1.07 0.53 -0.05 2.45 4.15 0.05 -1.19 115.11 122.11 2bkc h GLN 29 Ca 0.40 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.76 2bkc h GLN 29 Cb 0.19 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2bkc h GLN 29 CO -0.15 0.41 0.03 0.82 -1.93 0.00 0.00 178.83 178.01 2bkc h ILE 30 N 0.50 1.10 -0.58 2.39 2.04 -1.07 -2.03 117.51 119.86 2bkc h ILE 30 Ca 0.14 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.80 2bkc h ILE 30 Cb 0.02 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2bkc h ILE 30 CO -0.02 0.08 0.20 -0.74 0.00 0.00 0.00 178.15 177.67 2bkc h HIS 31 N -0.02 0.35 -0.02 1.37 2.76 -1.17 -1.20 115.15 117.22 2bkc h HIS 31 Ca 0.02 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.03 2bkc h HIS 31 Cb 0.11 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2bkc h HIS 31 CO -0.04 0.09 -0.80 -1.49 -1.30 0.00 0.00 177.93 174.39 2bkc h TRP 32 N 0.38 0.30 -0.02 5.26 6.55 -1.03 -3.31 115.95 124.09 2bkc h TRP 32 Ca 0.29 -0.15 0.00 0.00 0.95 0.00 0.00 58.89 59.98 2bkc h TRP 32 Cb 0.35 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 2bkc h TRP 32 CO -0.17 0.92 -0.23 0.66 -1.05 0.00 0.00 178.44 178.57 2bkc n TYR 33 N -3.72 0.00 -1.94 0.49 4.02 -0.78 -5.00 117.16 110.23 2bkc n TYR 33 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.75 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.08 2bkc n TYR 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bkc s MET 34 N -1.82 3.68 0.07 -0.72 0.23 -0.46 -4.99 119.30 115.30 2bkc s MET 34 Ca 0.17 2.21 -0.02 0.00 -1.03 0.00 0.00 55.69 57.02 2bkc s MET 34 Cb 0.14 -2.58 -0.04 0.00 -1.53 0.00 0.00 34.83 30.82 2bkc s MET 34 CO 0.36 -0.74 0.01 1.03 -2.03 0.00 0.00 175.02 173.65 2bkc s ARG 35 N -2.49 0.71 0.00 3.16 0.52 -1.26 -5.00 118.95 114.59 2bkc s ARG 35 Ca 0.62 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2bkc s ARG 35 Cb -0.39 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.31 2bkc s ARG 35 CO 0.49 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2bkc n GLY 36 N 0.04 -0.99 0.28 -3.53 0.00 -1.26 -4.42 105.19 95.31 2bkc n GLY 36 Ca -0.12 -2.22 0.16 0.00 0.00 0.00 0.00 46.02 43.84 2bkc n GLY 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2bkc h HIS 37 N 0.00 0.00 -0.44 1.61 3.86 -2.06 -1.29 115.15 116.83 2bkc h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bkc h HIS 37 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2bkc h HIS 37 CO 0.00 0.06 0.00 0.09 0.86 0.00 0.00 177.93 178.94 2bkc n ASN 38 N -3.24 2.58 -0.24 2.45 4.13 -1.26 -4.51 115.26 115.16 2bkc n ASN 38 Ca -0.01 -2.07 0.05 0.00 1.68 0.00 0.00 54.58 54.24 2bkc n ASN 38 Cb 0.26 -0.34 0.17 0.00 -1.54 0.00 0.00 39.78 38.34 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2bkc h PHE 39 N 2.61 0.20 0.09 3.10 3.57 -1.52 -1.51 116.94 123.48 2bkc h PHE 39 Ca 0.00 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.34 2bkc h PHE 39 Cb 0.70 0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.48 2bkc h PHE 39 CO 0.34 -0.12 -0.84 0.74 -2.23 0.00 0.00 178.31 176.20 2bkc h PHE 40 N 0.23 0.68 -0.19 0.41 -1.00 -1.84 -1.79 116.94 113.44 2bkc h PHE 40 Ca 0.41 -0.43 -0.12 0.00 2.81 0.00 0.00 57.97 60.63 2bkc h PHE 40 Cb 0.70 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 2bkc h PHE 40 CO -0.29 1.29 -0.40 0.00 -1.61 0.00 0.00 178.31 177.30 2bkc h THR 41 N -0.12 1.30 0.00 -1.55 1.03 -1.84 -3.10 112.91 108.63 2bkc h THR 41 Ca -0.13 -1.54 -0.24 0.00 -0.01 0.00 0.00 66.41 64.49 2bkc h THR 41 Cb 1.59 1.59 -0.04 0.00 -1.07 0.00 0.00 68.15 70.22 2bkc h THR 41 CO 0.16 0.48 -1.33 -0.07 -0.01 0.00 0.00 175.52 174.74 2bkc h LEU 42 N 0.37 0.00 0.08 0.00 4.07 -1.37 -2.96 115.31 115.49 2bkc h LEU 42 Ca 0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.02 2bkc h LEU 42 Cb 0.86 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.56 2bkc h LEU 42 CO 0.07 0.93 -0.28 1.23 -1.08 0.00 0.00 178.44 179.31 2bkc h GLY 43 N 3.33 -0.49 1.92 0.83 0.00 -1.28 0.46 103.07 107.84 2bkc h GLY 43 Ca -0.15 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2bkc h GLY 43 CO 0.09 -0.23 -0.03 0.83 0.00 0.00 0.00 176.54 177.21 2bkc h GLU 44 N -0.47 0.10 -0.35 4.80 5.08 -1.62 -2.07 114.58 120.06 2bkc h GLU 44 Ca 0.04 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2bkc h GLU 44 Cb 0.52 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2bkc h GLU 44 CO -0.19 0.14 -0.44 -0.22 -1.00 0.00 0.00 179.01 177.31 2bkc h LYS 45 N 0.10 0.91 -0.34 2.33 1.63 -1.15 -2.32 116.57 117.74 2bkc h LYS 45 Ca 0.03 -0.51 -0.07 0.00 -0.85 0.00 0.00 60.65 59.24 2bkc h LYS 45 Cb 0.12 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2bkc h LYS 45 CO 0.00 1.16 -0.08 0.52 -3.45 0.00 0.00 179.45 177.61 2bkc h MET 46 N 0.72 0.56 -0.52 1.90 2.86 -0.62 -0.56 114.93 119.27 2bkc h MET 46 Ca 0.04 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2bkc h MET 46 Cb 1.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2bkc h MET 46 CO 0.10 0.64 0.28 -0.44 1.06 0.00 0.00 176.91 178.55 2bkc h ASP 47 N 0.52 0.65 -0.57 1.22 3.32 -1.19 0.52 116.42 120.90 2bkc h ASP 47 Ca 0.10 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2bkc h ASP 47 Cb 0.45 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2bkc h ASP 47 CO 0.02 0.56 0.24 0.44 -1.72 0.00 0.00 179.24 178.78 2bkc h ASP 48 N 0.69 0.78 -0.46 6.45 3.32 -1.16 -2.31 116.42 123.73 2bkc h ASP 48 Ca 0.18 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 2bkc h ASP 48 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2bkc h ASP 48 CO -0.03 0.72 -0.19 0.25 -1.72 0.00 0.00 179.24 178.28 2bkc h LEU 49 N 0.78 0.96 -0.08 1.55 5.85 -0.95 -1.23 115.31 122.19 2bkc h LEU 49 Ca 0.19 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2bkc h LEU 49 Cb 0.18 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2bkc h LEU 49 CO -0.02 1.13 -0.32 0.22 -0.34 0.00 0.00 178.44 179.12 2bkc h TYR 50 N 0.77 -0.87 -0.41 1.25 5.03 -0.78 -0.65 116.97 121.31 2bkc h TYR 50 Ca 0.11 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2bkc h TYR 50 Cb 0.76 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 2bkc h TYR 50 CO 0.05 -0.40 0.27 0.77 -1.32 0.00 0.00 178.16 177.53 2bkc h SER 51 N -0.42 0.48 -0.38 -2.11 0.02 -1.36 -1.29 113.55 108.49 2bkc h SER 51 Ca 0.08 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2bkc h SER 51 Cb 0.55 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2bkc h SER 51 CO -0.31 0.36 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.62 2bkc h GLU 52 N 0.56 0.78 0.00 3.45 4.81 -0.98 -1.96 114.58 121.25 2bkc h GLU 52 Ca 0.15 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2bkc h GLU 52 Cb -0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2bkc h GLU 52 CO -0.03 0.82 -0.70 0.74 -0.73 0.00 0.00 179.01 179.11 2bkc h PHE 53 N 0.72 0.00 -0.18 0.92 -1.00 -1.03 -1.69 116.94 114.69 2bkc h PHE 53 Ca 0.13 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 2bkc h PHE 53 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2bkc h PHE 53 CO 0.03 0.50 -0.35 0.78 -1.61 0.00 0.00 178.31 177.65 2bkc h GLY 54 N 3.56 0.41 0.95 -1.45 0.00 -1.17 -2.55 103.07 102.82 2bkc h GLY 54 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2bkc h GLY 54 CO 0.06 0.34 -0.34 0.83 0.00 0.00 0.00 176.54 177.42 2bkc h GLU 55 N 0.32 0.66 -0.88 4.80 3.07 -1.21 -2.52 114.58 118.82 2bkc h GLU 55 Ca 0.04 -0.39 0.19 0.00 -0.50 0.00 0.00 59.36 58.70 2bkc h GLU 55 Cb 0.78 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.61 2bkc h GLU 55 CO 0.06 1.00 0.42 1.96 -1.40 0.00 0.00 179.01 181.05 2bkc h GLN 56 N 0.37 0.49 -0.20 2.33 4.20 -1.27 -1.51 115.11 119.53 2bkc h GLN 56 Ca 0.03 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 2bkc h GLN 56 Cb 0.93 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2bkc h GLN 56 CO 0.08 0.32 -0.58 1.98 -0.67 0.00 0.00 178.83 179.96 2bkc h MET 57 N 0.50 0.74 -0.40 1.46 4.05 -1.39 -0.50 114.93 119.39 2bkc h MET 57 Ca 0.52 -0.53 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2bkc h MET 57 Cb 0.88 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 2bkc h MET 57 CO -0.45 1.15 0.15 -0.44 0.23 0.00 0.00 176.91 177.56 2bkc h ASP 58 N 0.46 0.18 -0.09 1.39 3.45 -1.11 -0.85 116.42 119.84 2bkc h ASP 58 Ca -0.02 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.40 2bkc h ASP 58 Cb 1.20 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 2bkc h ASP 58 CO 0.12 0.14 -0.20 -0.33 -1.57 0.00 0.00 179.24 177.40 2bkc h GLU 59 N 0.32 0.50 -0.24 3.56 5.08 -1.16 -1.08 114.58 121.55 2bkc h GLU 59 Ca 0.18 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2bkc h GLU 59 Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2bkc h GLU 59 CO -0.18 0.68 -0.09 0.28 -1.00 0.00 0.00 179.01 178.70 2bkc h VAL 60 N 0.45 1.29 -0.37 3.13 2.07 -0.79 -1.76 116.25 120.27 2bkc h VAL 60 Ca 0.07 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 2bkc h VAL 60 Cb 0.60 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2bkc h VAL 60 CO 0.04 0.35 -0.17 0.00 0.02 0.00 0.00 177.57 177.81 2bkc h ALA 61 N 0.74 1.02 -0.10 1.67 0.00 -1.01 -1.23 119.26 120.36 2bkc h ALA 61 Ca 0.06 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 2bkc h ALA 61 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2bkc h ALA 61 CO 0.03 0.59 -0.80 0.93 0.00 0.00 0.00 179.25 180.00 2bkc h GLU 62 N 0.61 0.59 -0.33 0.00 5.08 -1.18 -0.52 114.58 118.84 2bkc h GLU 62 Ca 0.10 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 2bkc h GLU 62 Cb 0.63 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2bkc h GLU 62 CO 0.04 1.13 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.84 2bkc h ARG 63 N 0.39 0.65 -0.66 2.33 9.65 -1.17 -0.97 114.38 124.60 2bkc h ARG 63 Ca -0.05 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.52 2bkc h ARG 63 Cb 1.41 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.93 2bkc h ARG 63 CO 0.15 0.84 0.23 1.25 2.80 0.00 0.00 179.97 185.25 2bkc h LEU 64 N 0.57 0.90 -0.53 3.80 5.85 -1.03 -2.70 115.31 122.18 2bkc h LEU 64 Ca 0.08 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2bkc h LEU 64 Cb 0.73 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2bkc h LEU 64 CO 0.06 0.83 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.68 2bkc h LEU 65 N 0.96 0.97 -1.31 2.25 -0.00 -0.74 0.15 115.31 117.59 2bkc h LEU 65 Ca 0.22 -0.37 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2bkc h LEU 65 Cb 0.23 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2bkc h LEU 65 CO -0.01 1.15 -0.25 0.00 -0.00 0.00 0.00 178.44 179.33 2bkc h ALA 66 N 0.91 1.13 -0.44 1.53 0.00 -0.99 -2.15 119.26 119.25 2bkc h ALA 66 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bkc h ALA 66 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2bkc h ALA 66 CO 0.07 0.32 0.00 0.44 0.00 0.00 0.00 179.25 180.07 2bkc n ILE 67 N -3.58 0.58 -0.42 0.00 -5.35 -1.03 -4.95 119.36 104.61 2bkc n ILE 67 Ca -0.01 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 2bkc n ILE 67 Cb 0.39 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 2bkc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkc n GLY 68 N 1.34 0.77 1.58 3.28 0.00 -0.81 -5.09 105.19 106.26 2bkc n GLY 68 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2bkc n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkc n GLY 69 N -2.42 -0.22 2.56 -0.02 0.00 0.53 -5.00 105.19 100.61 2bkc n GLY 69 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 2bkc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkc s SER 70 N -2.81 3.55 0.33 1.61 0.01 -1.26 -4.48 113.70 110.64 2bkc s SER 70 Ca 0.29 -1.42 -0.29 0.00 1.31 0.00 0.00 55.95 55.84 2bkc s SER 70 Cb -0.01 -0.42 -0.11 0.00 0.21 0.00 0.00 66.02 65.69 2bkc s SER 70 CO 0.20 -0.42 1.46 -2.16 0.41 0.00 0.00 173.24 172.72 2bkc s PRO 71 N 1.94 4.19 0.44 12.44 0.04 -1.26 -4.96 135.00 147.83 2bkc s PRO 71 Ca 0.10 2.46 -0.23 0.00 0.04 0.00 0.00 61.00 63.36 2bkc s PRO 71 Cb -0.17 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2bkc s PRO 71 CO -0.32 -0.46 0.91 1.19 0.04 0.00 0.00 177.00 178.36 2bkc n PHE 72 N 1.09 0.79 -2.24 0.56 0.99 -1.26 -4.93 117.46 112.46 2bkc n PHE 72 Ca 0.03 0.56 -0.01 0.00 -0.00 0.00 0.00 57.45 58.02 2bkc n PHE 72 Cb 0.40 -2.17 -0.02 0.00 -1.00 0.00 0.00 39.48 36.69 2bkc n PHE 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bkc n SER 73 N 0.55 0.07 -3.93 4.37 3.41 -1.26 -4.97 113.62 111.86 2bkc n SER 73 Ca 0.10 -1.95 -0.10 0.00 -0.26 0.00 0.00 58.87 56.66 2bkc n SER 73 Cb 0.40 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 2bkc n SER 73 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bkc s THR 74 N 0.00 0.09 0.34 6.66 -4.23 -1.26 -5.03 115.64 112.21 2bkc s THR 74 Ca 0.16 -0.72 0.11 0.00 -1.18 0.00 0.00 61.69 60.07 2bkc s THR 74 Cb 0.19 -0.28 0.33 0.00 1.34 0.00 0.00 72.50 74.08 2bkc s THR 74 CO -0.08 -0.39 1.76 -0.07 -0.54 0.00 0.00 174.62 175.30 2bkc h LEU 75 N 4.75 0.64 -0.07 4.79 4.07 -1.98 -0.52 115.31 126.98 2bkc h LEU 75 Ca -0.31 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 2bkc h LEU 75 Cb 1.20 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 2bkc h LEU 75 CO 0.42 0.16 0.03 0.50 -1.08 0.00 0.00 178.44 178.47 2bkc h LYS 76 N 0.58 0.11 -0.23 1.13 3.64 -1.99 -0.92 116.57 118.89 2bkc h LYS 76 Ca 0.60 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.84 2bkc h LYS 76 Cb 1.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2bkc h LYS 76 CO -0.38 0.24 -0.38 0.93 -2.27 0.00 0.00 179.45 177.59 2bkc h GLU 77 N -0.04 0.52 -0.65 1.90 5.08 -1.81 -1.97 114.58 117.61 2bkc h GLU 77 Ca 0.02 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2bkc h GLU 77 Cb 0.17 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2bkc h GLU 77 CO -0.00 0.82 0.43 0.74 -1.00 0.00 0.00 179.01 180.00 2bkc h PHE 78 N 0.44 0.82 -0.55 4.33 0.05 -0.93 -2.24 116.94 118.86 2bkc h PHE 78 Ca 0.04 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.80 2bkc h PHE 78 Cb 0.86 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.51 2bkc h PHE 78 CO 0.03 0.51 0.11 -0.07 -0.18 0.00 0.00 178.31 178.71 2bkc h LEU 79 N 0.88 0.80 -0.62 1.54 3.38 -0.93 -1.05 115.31 119.31 2bkc h LEU 79 Ca 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bkc h LEU 79 Cb -0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2bkc h LEU 79 CO -0.06 0.80 0.00 -0.33 0.09 0.00 0.00 178.44 178.95 2bkc h GLU 80 N 0.82 0.00 0.00 1.13 5.08 -0.79 -3.35 114.58 117.47 2bkc h GLU 80 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2bkc h GLU 80 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2bkc h GLU 80 CO 0.00 0.00 -0.51 0.09 -1.00 0.00 0.00 179.01 177.59 2bkc n ASN 81 N -2.65 2.55 -4.77 1.42 4.13 -0.96 -5.05 115.26 109.94 2bkc n ASN 81 Ca 0.03 -0.20 -0.40 0.00 1.68 0.00 0.00 54.58 55.69 2bkc n ASN 81 Cb 0.35 0.91 -0.03 0.00 -1.54 0.00 0.00 39.78 39.48 2bkc n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkc s ALA 82 N -1.42 3.39 -0.13 5.41 0.00 -0.41 -4.89 121.76 123.72 2bkc s ALA 82 Ca 0.00 1.06 0.17 0.00 0.00 0.00 0.00 51.96 53.18 2bkc s ALA 82 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 2bkc s ALA 82 CO 0.00 -0.43 0.89 0.66 0.00 0.00 0.00 175.76 176.88 2bkc h SER 83 N 3.38 0.00 -3.71 0.00 4.64 -1.90 -3.47 113.55 112.49 2bkc h SER 83 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 2bkc h SER 83 Cb 1.22 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.39 2bkc h SER 83 CO 0.65 0.55 0.74 -0.69 -0.87 0.00 0.00 176.83 177.21 2bkc s VAL 84 N -2.94 2.44 0.16 0.95 1.01 -1.26 -5.01 120.40 115.74 2bkc s VAL 84 Ca -0.02 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.45 2bkc s VAL 84 Cb 0.09 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2bkc s VAL 84 CO 0.80 0.09 -0.07 -1.61 0.00 0.00 0.00 175.10 174.31 2bkc s GLU 85 N -1.38 2.16 0.04 2.72 2.02 -1.26 -5.01 118.70 117.99 2bkc s GLU 85 Ca 0.54 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 54.41 2bkc s GLU 85 Cb -0.43 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2bkc s GLU 85 CO 0.53 0.46 -0.12 -1.83 0.02 0.00 0.00 175.26 174.32 2bkc s GLU 86 N -2.70 0.80 0.04 1.61 -1.05 -1.26 -5.01 118.70 111.12 2bkc s GLU 86 Ca 0.25 -0.72 0.04 0.00 -0.15 0.00 0.00 54.97 54.38 2bkc s GLU 86 Cb -0.09 -0.76 -0.02 0.00 -0.44 0.00 0.00 34.13 32.82 2bkc s GLU 86 CO 0.16 0.18 -0.11 0.00 0.95 0.00 0.00 175.26 176.44 2bkc s ALA 87 N -0.92 0.90 0.68 -0.84 0.00 -1.26 -5.15 121.76 115.17 2bkc s ALA 87 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2bkc s ALA 87 Cb -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2bkc s ALA 87 CO 0.01 0.13 1.14 -1.25 0.00 0.00 0.00 175.76 175.79 2bkc s PRO 88 N -1.16 2.58 -0.30 0.00 0.04 -1.26 -4.97 135.00 129.94 2bkc s PRO 88 Ca -0.02 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 2bkc s PRO 88 Cb -0.08 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2bkc s PRO 88 CO 0.01 -1.44 0.87 -0.47 0.04 0.00 0.00 177.00 176.01 2bkc s TYR 89 N -2.25 3.21 0.00 0.56 5.04 -1.26 -4.90 117.35 117.76 2bkc s TYR 89 Ca 0.69 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 2bkc s TYR 89 Cb -0.23 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.78 2bkc s TYR 89 CO 0.43 -0.58 0.00 0.25 -1.34 0.00 0.00 175.55 174.30 2bkc n THR 90 N 5.56 0.00 -1.59 4.34 -2.24 -1.26 -5.05 114.28 114.04 2bkc n THR 90 Ca 0.06 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.33 2bkc n THR 90 Cb 0.48 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 2bkc n THR 90 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bkc n LYS 91 N -0.61 1.15 -1.55 -0.78 5.02 -1.26 -4.92 118.16 115.21 2bkc n LYS 91 Ca 0.00 0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 56.32 2bkc n LYS 91 Cb 0.00 -2.02 0.04 0.00 -0.02 0.00 0.00 35.03 33.03 2bkc n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2bkc n PRO 92 N 2.32 0.80 -4.08 1.97 -0.02 -1.26 -5.03 135.00 129.71 2bkc n PRO 92 Ca 0.17 0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 2bkc n PRO 92 Cb 0.21 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -2.32 0.52 0.81 -0.52 1.02 -1.26 -5.15 119.74 112.83 2bkc s LYS 93 Ca 0.70 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.89 2bkc s LYS 93 Cb -0.46 -0.31 0.08 0.00 -0.52 0.00 0.00 37.83 36.61 2bkc s LYS 93 CO 0.52 0.06 1.11 0.95 -0.92 0.00 0.00 175.35 177.07 2bkc s THR 94 N -1.22 2.83 0.27 2.17 -4.23 -1.26 -4.88 115.64 109.33 2bkc s THR 94 Ca -0.08 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 2bkc s THR 94 Cb -0.09 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 70.95 2bkc s THR 94 CO 0.00 -0.35 1.88 -0.03 -0.54 0.00 0.00 174.62 175.57 2bkc h MET 95 N -1.10 1.12 -0.56 3.99 4.05 -1.98 -2.49 114.93 117.95 2bkc h MET 95 Ca -0.47 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 58.84 2bkc h MET 95 Cb 1.28 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 2bkc h MET 95 CO 0.61 0.74 0.21 -0.44 0.23 0.00 0.00 176.91 178.26 2bkc h ASP 96 N 1.15 0.79 -0.13 1.39 5.19 -1.95 -2.23 116.42 120.64 2bkc h ASP 96 Ca 0.44 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 2bkc h ASP 96 Cb 0.21 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2bkc h ASP 96 CO -0.19 0.76 -0.21 1.56 -3.12 0.00 0.00 179.24 178.04 2bkc h GLN 97 N 0.78 0.55 -0.28 3.56 4.20 -1.84 -2.24 115.11 119.83 2bkc h GLN 97 Ca 0.19 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2bkc h GLN 97 Cb 0.22 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2bkc h GLN 97 CO -0.01 0.73 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.68 2bkc h LEU 98 N 0.49 0.60 -1.18 1.46 3.38 -1.21 -2.04 115.31 116.81 2bkc h LEU 98 Ca 0.08 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2bkc h LEU 98 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2bkc h LEU 98 CO 0.04 0.87 -0.33 0.24 0.09 0.00 0.00 178.44 179.36 2bkc h MET 99 N 0.33 0.00 -0.06 1.13 2.86 -1.34 -1.43 114.93 116.43 2bkc h MET 99 Ca 0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.50 2bkc h MET 99 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2bkc h MET 99 CO 0.04 0.33 -0.83 0.93 1.06 0.00 0.00 176.91 178.44 2bkc h GLU 100 N 0.00 0.47 -0.27 1.72 3.07 -1.24 0.20 114.58 118.52 2bkc h GLU 100 Ca -0.00 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2bkc h GLU 100 Cb 0.75 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2bkc h GLU 100 CO 0.04 1.07 0.16 0.22 -1.40 0.00 0.00 179.01 179.10 2bkc h ASP 101 N 0.30 0.33 -0.61 1.42 3.58 -1.00 0.18 116.42 120.63 2bkc h ASP 101 Ca -0.05 -0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.39 2bkc h ASP 101 Cb 1.43 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.35 2bkc h ASP 101 CO 0.15 0.30 0.33 0.25 -2.88 0.00 0.00 179.24 177.38 2bkc h LEU 102 N 0.34 0.48 -0.01 2.28 6.46 -0.89 -1.58 115.31 122.39 2bkc h LEU 102 Ca 0.10 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2bkc h LEU 102 Cb 0.03 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2bkc h LEU 102 CO -0.02 0.31 -0.02 0.58 -0.62 0.00 0.00 178.44 178.67 2bkc h VAL 103 N 0.61 1.48 -0.98 1.05 2.07 -0.39 -1.57 116.25 118.52 2bkc h VAL 103 Ca 0.27 -1.44 0.19 0.00 0.82 0.00 0.00 66.70 66.54 2bkc h VAL 103 Cb 0.18 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.28 2bkc h VAL 103 CO -0.18 0.38 0.61 1.23 0.02 0.00 0.00 177.57 179.63 2bkc h GLY 104 N -0.56 1.53 1.41 2.17 0.00 -0.89 -0.51 103.07 106.21 2bkc h GLY 104 Ca -0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 2bkc h GLY 104 CO 0.01 -0.02 -0.64 -0.84 0.00 0.00 0.00 176.54 175.04 2bkc h THR 105 N 0.70 1.32 -0.54 4.70 2.02 -0.99 -1.24 112.91 118.89 2bkc h THR 105 Ca 0.54 -1.91 -0.08 0.00 0.77 0.00 0.00 66.41 65.72 2bkc h THR 105 Cb 0.92 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2bkc h THR 105 CO -0.31 0.60 0.00 -0.07 0.37 0.00 0.00 175.52 176.11 2bkc h LEU 106 N 0.44 0.89 -0.32 2.58 3.38 -0.64 -1.81 115.31 119.83 2bkc h LEU 106 Ca -0.01 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2bkc h LEU 106 Cb 1.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2bkc h LEU 106 CO 0.12 0.94 0.20 -0.33 0.09 0.00 0.00 178.44 179.47 2bkc h GLU 107 N 0.85 0.40 -0.10 1.13 5.08 -0.96 -0.63 114.58 120.35 2bkc h GLU 107 Ca 0.16 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2bkc h GLU 107 Cb 0.50 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 107 CO 0.02 0.26 -0.09 1.25 -1.00 0.00 0.00 179.01 179.45 2bkc h LEU 108 N 0.41 -0.30 -0.92 1.33 6.46 -1.06 -2.06 115.31 119.18 2bkc h LEU 108 Ca 0.12 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2bkc h LEU 108 Cb -0.02 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 2bkc h LEU 108 CO -0.04 -0.13 0.61 -0.07 -0.62 0.00 0.00 178.44 178.18 2bkc h LEU 109 N -0.12 1.03 -0.46 2.25 3.38 -1.17 -1.64 115.31 118.58 2bkc h LEU 109 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bkc h LEU 109 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2bkc h LEU 109 CO -0.17 0.73 0.28 -0.09 0.09 0.00 0.00 178.44 179.29 2bkc h ARG 110 N 1.21 0.62 -0.30 1.13 2.43 -0.75 -0.88 114.38 117.85 2bkc h ARG 110 Ca 0.35 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2bkc h ARG 110 Cb -0.09 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2bkc h ARG 110 CO -0.09 0.45 -0.47 -0.44 -1.51 0.00 0.00 179.97 177.90 2bkc h ASP 111 N 0.62 0.86 -0.61 -3.80 3.32 -1.20 -1.23 116.42 114.38 2bkc h ASP 111 Ca 0.17 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 2bkc h ASP 111 Cb -0.02 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2bkc h ASP 111 CO -0.03 1.19 0.00 -0.33 -1.72 0.00 0.00 179.24 178.35 2bkc h GLU 112 N 0.63 1.07 -0.16 3.56 5.08 -1.20 -2.44 114.58 121.13 2bkc h GLU 112 Ca 0.03 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2bkc h GLU 112 Cb 1.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2bkc h GLU 112 CO 0.10 1.04 -0.32 1.88 -1.00 0.00 0.00 179.01 180.72 2bkc h TYR 113 N 0.97 0.35 -0.74 4.33 -1.99 -1.03 -1.16 116.97 117.71 2bkc h TYR 113 Ca 0.17 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 2bkc h TYR 113 Cb 0.56 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 2bkc h TYR 113 CO 0.04 0.60 0.28 -0.22 -0.00 0.00 0.00 178.16 178.85 2bkc h LYS 114 N 0.27 1.10 -0.27 4.88 1.63 -1.05 0.16 116.57 123.29 2bkc h LYS 114 Ca 0.04 -0.20 -0.10 0.00 -0.85 0.00 0.00 60.65 59.53 2bkc h LYS 114 Cb 0.69 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2bkc h LYS 114 CO 0.05 0.91 -0.27 1.96 -3.45 0.00 0.00 179.45 178.65 2bkc h GLN 115 N 1.07 0.54 -0.19 1.90 4.20 -0.91 -2.00 115.11 119.73 2bkc h GLN 115 Ca 0.24 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 2bkc h GLN 115 Cb 0.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2bkc h GLN 115 CO -0.02 0.76 -0.32 0.78 -0.67 0.00 0.00 178.83 179.35 2bkc h GLY 116 N 1.02 0.41 1.07 3.46 0.00 -0.60 -1.30 103.07 107.14 2bkc h GLY 116 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 2bkc h GLY 116 CO 0.05 0.33 -0.04 -2.22 0.00 0.00 0.00 176.54 174.67 2bkc h ILE 117 N 0.33 1.27 -0.14 2.60 2.04 -0.42 -1.33 117.51 121.86 2bkc h ILE 117 Ca 0.04 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2bkc h ILE 117 Cb 0.73 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2bkc h ILE 117 CO 0.06 0.42 0.01 -0.33 0.00 0.00 0.00 178.15 178.31 2bkc h GLU 118 N 0.92 0.24 -0.94 2.37 5.08 -1.26 -2.47 114.58 118.52 2bkc h GLU 118 Ca 0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2bkc h GLU 118 Cb 0.59 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2bkc h GLU 118 CO 0.04 0.45 0.58 1.25 -1.00 0.00 0.00 179.01 180.33 2bkc h LEU 119 N -0.00 1.12 -0.09 1.33 5.85 -1.12 -1.52 115.31 120.87 2bkc h LEU 119 Ca 0.04 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2bkc h LEU 119 Cb 0.34 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2bkc h LEU 119 CO 0.01 0.85 -0.69 0.00 -0.34 0.00 0.00 178.44 178.27 2bkc h THR 120 N 1.30 1.21 -0.15 1.05 1.03 -1.27 -1.49 112.91 114.60 2bkc h THR 120 Ca 0.34 -2.63 -0.18 0.00 -0.01 0.00 0.00 66.41 63.93 2bkc h THR 120 Cb -0.08 2.54 0.01 0.00 -1.07 0.00 0.00 68.15 69.55 2bkc h THR 120 CO -0.07 0.67 -0.60 -0.78 -0.01 0.00 0.00 175.52 174.74 2bkc h ASP 121 N 0.00 0.78 -0.07 0.00 3.58 -1.03 -1.60 116.42 118.08 2bkc h ASP 121 Ca -0.01 -0.62 -0.05 0.00 0.42 0.00 0.00 57.03 56.77 2bkc h ASP 121 Cb 1.49 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 2bkc h ASP 121 CO 0.09 1.27 -0.10 0.11 -2.88 0.00 0.00 179.24 177.73 2bkc h LYS 122 N 0.33 0.36 0.00 0.28 1.57 -0.91 -2.14 116.57 116.06 2bkc h LYS 122 Ca -0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2bkc h LYS 122 Cb 1.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2bkc h LYS 122 CO 0.12 0.47 0.00 0.93 -0.57 0.00 0.00 179.45 180.40 2bkc h GLU 123 N 0.34 0.00 0.00 3.15 5.08 -1.27 -3.47 114.58 118.41 2bkc h GLU 123 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 123 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2bkc h GLU 123 CO 0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.44 2bkc n GLY 124 N 1.05 0.49 3.49 -3.84 0.00 -0.81 -5.00 105.19 100.58 2bkc n GLY 124 Ca 0.05 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 2bkc n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bkc s ASP 125 N -2.64 6.97 0.30 1.61 3.68 -0.63 -4.89 116.67 121.07 2bkc s ASP 125 Ca 0.00 -2.76 0.00 0.00 2.13 0.00 0.00 52.55 51.92 2bkc s ASP 125 Cb 0.00 -2.44 0.47 0.00 -1.45 0.00 0.00 42.92 39.50 2bkc s ASP 125 CO 0.00 -0.88 1.87 0.44 0.13 0.00 0.00 175.17 176.73 2bkc h ASP 126 N 7.46 0.73 0.06 -0.34 3.32 -1.95 -2.37 116.42 123.33 2bkc h ASP 126 Ca 0.33 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2bkc h ASP 126 Cb 0.89 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2bkc h ASP 126 CO 1.28 0.69 -0.03 0.58 -1.72 0.00 0.00 179.24 180.04 2bkc h VAL 127 N 0.78 1.13 -0.67 -1.35 2.07 -1.97 -1.36 116.25 114.88 2bkc h VAL 127 Ca 0.18 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2bkc h VAL 127 Cb 0.22 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2bkc h VAL 127 CO -0.01 0.17 0.35 0.74 0.02 0.00 0.00 177.57 178.83 2bkc h THR 128 N -0.38 1.22 -0.09 2.57 2.02 -1.95 -0.71 112.91 115.59 2bkc h THR 128 Ca -0.01 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.63 2bkc h THR 128 Cb 0.34 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2bkc h THR 128 CO 0.01 0.25 -0.26 -1.13 0.37 0.00 0.00 175.52 174.76 2bkc h ASN 129 N 0.92 -0.80 -0.84 4.18 -0.73 -1.42 -0.57 115.58 116.33 2bkc h ASN 129 Ca 0.23 0.12 0.08 0.00 1.87 0.00 0.00 56.30 58.60 2bkc h ASN 129 Cb 0.08 0.34 -0.07 0.00 0.27 0.00 0.00 38.32 38.94 2bkc h ASN 129 CO -0.03 -0.32 0.50 -0.78 -0.37 0.00 0.00 177.43 176.43 2bkc h ASP 130 N -0.35 0.75 -0.51 1.15 3.58 -0.95 -1.49 116.42 118.60 2bkc h ASP 130 Ca 0.09 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 2bkc h ASP 130 Cb 0.48 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2bkc h ASP 130 CO -0.29 0.45 0.11 -0.03 -2.88 0.00 0.00 179.24 176.60 2bkc h MET 131 N 0.87 0.83 -0.29 0.28 4.05 -0.72 -2.44 114.93 117.51 2bkc h MET 131 Ca 0.39 -0.21 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 2bkc h MET 131 Cb 0.27 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2bkc h MET 131 CO -0.21 0.80 -0.14 -0.07 0.23 0.00 0.00 176.91 177.52 2bkc h LEU 132 N 0.71 0.49 -0.49 3.39 4.07 -0.75 -2.61 115.31 120.12 2bkc h LEU 132 Ca 0.16 -0.13 -0.15 0.00 0.08 0.00 0.00 57.88 57.84 2bkc h LEU 132 Cb 0.36 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2bkc h LEU 132 CO 0.01 0.66 -0.34 0.40 -1.08 0.00 0.00 178.44 178.09 2bkc h ILE 133 N 0.46 1.27 -0.80 1.22 2.04 -1.04 -1.86 117.51 118.81 2bkc h ILE 133 Ca 0.08 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 2bkc h ILE 133 Cb 0.52 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2bkc h ILE 133 CO 0.03 0.50 0.36 0.00 0.00 0.00 0.00 178.15 179.04 2bkc h ALA 134 N 0.88 1.04 -0.30 1.87 0.00 -1.20 -1.62 119.26 119.93 2bkc h ALA 134 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2bkc h ALA 134 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bkc h ALA 134 CO 0.08 0.63 -0.02 0.74 0.00 0.00 0.00 179.25 180.68 2bkc h PHE 135 N 1.15 0.59 -0.88 0.00 0.05 -1.40 -2.72 116.94 113.73 2bkc h PHE 135 Ca 0.27 -0.11 0.07 0.00 3.82 0.00 0.00 57.97 62.02 2bkc h PHE 135 Cb 0.16 -0.15 -0.06 0.00 2.00 0.00 0.00 35.95 37.90 2bkc h PHE 135 CO 0.02 0.69 0.58 -0.22 -0.18 0.00 0.00 178.31 179.19 2bkc h LYS 136 N 0.32 0.96 -0.70 1.51 3.64 -1.14 0.37 116.57 121.52 2bkc h LYS 136 Ca 0.08 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2bkc h LYS 136 Cb 0.47 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2bkc h LYS 136 CO 0.02 0.63 0.43 0.00 -2.27 0.00 0.00 179.45 178.26 2bkc h ALA 137 N 1.52 0.93 -0.01 5.00 0.00 -0.98 -1.42 119.26 124.29 2bkc h ALA 137 Ca 0.38 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.05 2bkc h ALA 137 Cb 0.23 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bkc h ALA 137 CO -0.14 0.17 -0.94 1.03 0.00 0.00 0.00 179.25 179.36 2bkc h SER 138 N 0.81 0.62 -0.67 0.00 0.87 -1.19 -2.63 113.55 111.37 2bkc h SER 138 Ca 0.29 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 2bkc h SER 138 Cb 0.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2bkc h SER 138 CO -0.13 1.28 0.24 0.40 -0.53 0.00 0.00 176.83 178.09 2bkc h ILE 139 N 0.28 1.24 -0.36 2.23 2.04 -0.63 -1.33 117.51 120.98 2bkc h ILE 139 Ca -0.09 -0.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.83 2bkc h ILE 139 Cb 1.58 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2bkc h ILE 139 CO 0.17 0.32 -0.29 0.44 0.00 0.00 0.00 178.15 178.79 2bkc h ASP 140 N 1.01 0.88 -0.39 1.72 3.32 -1.20 0.49 116.42 122.25 2bkc h ASP 140 Ca 0.23 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 2bkc h ASP 140 Cb 0.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2bkc h ASP 140 CO -0.01 1.14 0.24 0.50 -1.72 0.00 0.00 179.24 179.38 2bkc h LYS 141 N 0.62 0.52 -0.83 3.56 3.64 -1.35 -1.70 116.57 121.03 2bkc h LYS 141 Ca 0.07 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2bkc h LYS 141 Cb 0.86 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 2bkc h LYS 141 CO 0.08 0.38 0.55 0.45 -2.27 0.00 0.00 179.45 178.63 2bkc h HIS 142 N 0.51 1.00 0.05 1.91 3.86 -0.89 -2.16 115.15 119.43 2bkc h HIS 142 Ca 0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2bkc h HIS 142 Cb -0.01 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.13 2bkc h HIS 142 CO -0.04 0.58 -0.03 0.82 0.86 0.00 0.00 177.93 180.13 2bkc h ILE 143 N 1.04 1.16 -0.44 2.45 2.04 -0.42 -0.13 117.51 123.21 2bkc h ILE 143 Ca 0.33 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.53 2bkc h ILE 143 Cb 0.02 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2bkc h ILE 143 CO -0.09 0.19 -0.10 -0.25 0.00 0.00 0.00 178.15 177.90 2bkc h TRP 144 N -0.41 -0.21 0.06 1.37 7.01 -1.21 -1.09 115.95 121.48 2bkc h TRP 144 Ca -0.01 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2bkc h TRP 144 Cb 0.36 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2bkc h TRP 144 CO 0.04 -0.18 -0.03 0.52 -2.79 0.00 0.00 178.44 176.00 2bkc h MET 145 N 0.01 -0.08 -0.30 2.65 2.86 -1.22 0.37 114.93 119.23 2bkc h MET 145 Ca 0.21 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 2bkc h MET 145 Cb 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2bkc h MET 145 CO -0.45 0.11 -0.31 0.74 1.06 0.00 0.00 176.91 178.06 2bkc h PHE 146 N -0.25 0.73 -0.41 -0.22 -1.00 -0.94 -1.17 116.94 113.68 2bkc h PHE 146 Ca -0.01 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.57 2bkc h PHE 146 Cb 0.22 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2bkc h PHE 146 CO -0.02 0.87 0.19 0.87 -1.61 0.00 0.00 178.31 178.61 2bkc h LYS 147 N 0.54 0.60 -0.89 1.51 1.79 -1.14 -1.78 116.57 117.21 2bkc h LYS 147 Ca 0.06 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2bkc h LYS 147 Cb 0.80 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 2bkc h LYS 147 CO 0.07 0.53 0.57 0.00 -1.08 0.00 0.00 179.45 179.54 2bkc h ALA 148 N 1.04 1.17 -0.97 3.86 0.00 -0.66 0.14 119.26 123.84 2bkc h ALA 148 Ca 0.14 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2bkc h ALA 148 Cb 0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 2bkc h ALA 148 CO -0.02 0.42 0.62 0.35 0.00 0.00 0.00 179.25 180.62 2bkc h PHE 149 N 1.11 1.08 0.00 0.00 3.57 -0.87 -1.46 116.94 120.37 2bkc h PHE 149 Ca 0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2bkc h PHE 149 Cb 0.01 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.41 2bkc h PHE 149 CO -0.02 0.46 0.00 1.28 -2.23 0.00 0.00 178.31 177.80 2bkc n LEU 150 N -4.58 0.00 -0.11 0.59 4.77 -0.01 -4.90 117.00 112.76 2bkc n LEU 150 Ca 0.18 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2bkc n LEU 150 Cb 0.34 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2bkc n LEU 150 CO 0.29 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.94 2bkc n GLY 151 N 0.79 0.45 3.35 -0.72 0.00 -0.55 -5.06 105.19 103.45 2bkc n GLY 151 Ca 0.20 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 2bkc n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkc s LYS 152 N -2.49 1.34 0.80 1.61 1.02 -0.92 -5.01 119.74 116.10 2bkc s LYS 152 Ca 0.00 -1.60 -0.11 0.00 0.02 0.00 0.00 55.97 54.28 2bkc s LYS 152 Cb 0.00 -1.11 0.07 0.00 -0.52 0.00 0.00 37.83 36.27 2bkc s LYS 152 CO 0.00 0.17 1.09 0.00 -0.92 0.00 0.00 175.35 175.69 2bkc s ALA 153 N -2.99 2.14 0.16 5.17 0.00 -1.26 -3.05 121.76 121.93 2bkc s ALA 153 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 2bkc s ALA 153 Cb -0.00 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.98 2bkc s ALA 153 CO 0.07 -1.81 1.66 -1.35 0.00 0.00 0.00 175.76 174.33 2bkc h PRO 154 N -1.15 0.86 -0.32 0.00 0.11 -1.89 -3.29 132.00 126.32 2bkc h PRO 154 Ca -0.46 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.43 2bkc h PRO 154 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2bkc h PRO 154 CO 0.56 0.82 0.00 1.28 -0.21 0.00 0.00 178.00 180.45 2bkc n LEU 155 N -4.41 3.10 0.00 2.35 4.77 -1.26 -4.83 117.00 116.71 2bkc n LEU 155 Ca 0.02 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2bkc n LEU 155 Cb 0.24 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2bkc n LEU 155 CO 0.40 0.68 0.00 -1.84 -1.33 0.00 0.00 177.39 175.30