#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 4.36 0.27 -1.34 -4.77 -1.26 -5.05 116.67 108.89 2bkc s ASP 8 Ca 0.00 -0.93 -0.01 0.00 -3.30 0.00 0.00 52.55 48.31 2bkc s ASP 8 Cb 0.00 -0.59 0.47 0.00 -1.09 0.00 0.00 42.92 41.71 2bkc s ASP 8 CO 0.00 -0.29 1.86 0.74 0.70 0.00 0.00 175.17 178.19 2bkc h THR 9 N 1.69 1.02 -0.82 2.11 2.02 -1.98 -1.95 112.91 114.99 2bkc h THR 9 Ca -0.43 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2bkc h THR 9 Cb 1.25 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2bkc h THR 9 CO 0.66 0.20 0.43 0.11 0.37 0.00 0.00 175.52 177.30 2bkc h LYS 10 N 1.10 1.16 -0.02 6.66 1.57 -1.97 -2.02 116.57 123.06 2bkc h LYS 10 Ca 0.46 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2bkc h LYS 10 Cb 0.31 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2bkc h LYS 10 CO -0.21 0.86 -0.01 0.93 -0.57 0.00 0.00 179.45 180.45 2bkc h GLU 11 N 1.16 0.03 -0.09 3.15 5.08 -1.78 -1.98 114.58 120.15 2bkc h GLU 11 Ca 0.29 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2bkc h GLU 11 Cb 0.05 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2bkc h GLU 11 CO -0.04 0.41 -0.52 0.35 -1.00 0.00 0.00 179.01 178.21 2bkc h PHE 12 N -0.35 -1.54 -0.82 4.33 3.57 -1.32 -0.84 116.94 119.97 2bkc h PHE 12 Ca 0.00 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.71 2bkc h PHE 12 Cb 0.40 0.68 -0.10 0.00 2.79 0.00 0.00 35.95 39.73 2bkc h PHE 12 CO 0.06 -0.53 0.38 -0.07 -2.23 0.00 0.00 178.31 175.92 2bkc h LEU 13 N -0.59 0.42 -1.30 0.59 4.07 -1.37 -0.76 115.31 116.37 2bkc h LEU 13 Ca 0.02 0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 2bkc h LEU 13 Cb 0.67 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2bkc h LEU 13 CO -0.39 0.16 -0.13 -1.13 -1.08 0.00 0.00 178.44 175.87 2bkc h ASN 14 N 0.54 0.30 -0.32 -0.43 -0.73 -0.79 -2.37 115.58 111.77 2bkc h ASN 14 Ca 0.45 -0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.49 2bkc h ASN 14 Cb 0.68 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 2bkc h ASN 14 CO -0.39 0.46 -0.06 -0.74 -0.37 0.00 0.00 177.43 176.33 2bkc h HIS 15 N 0.30 0.69 -0.86 0.67 2.76 0.28 -2.87 115.15 116.11 2bkc h HIS 15 Ca 0.06 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2bkc h HIS 15 Cb 0.41 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2bkc h HIS 15 CO 0.01 0.78 0.52 1.96 -1.30 0.00 0.00 177.93 179.90 2bkc h GLN 16 N 0.40 1.16 -0.76 5.26 1.08 -1.09 -0.58 115.11 120.58 2bkc h GLN 16 Ca 0.08 -0.10 0.15 0.00 -1.45 0.00 0.00 58.65 57.34 2bkc h GLN 16 Cb 0.54 -0.25 -0.10 0.00 -0.05 0.00 0.00 27.48 27.63 2bkc h GLN 16 CO 0.03 0.81 0.28 0.28 -0.95 0.00 0.00 178.83 179.28 2bkc h VAL 17 N 1.17 0.61 -0.09 -0.54 2.07 -1.23 0.57 116.25 118.81 2bkc h VAL 17 Ca 0.31 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2bkc h VAL 17 Cb -0.06 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2bkc h VAL 17 CO -0.06 0.07 -0.00 0.00 0.02 0.00 0.00 177.57 177.60 2bkc h ALA 18 N 1.58 0.12 -0.25 1.67 0.00 -1.24 -2.27 119.26 118.87 2bkc h ALA 18 Ca 0.43 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2bkc h ALA 18 Cb 0.68 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2bkc h ALA 18 CO -0.44 -0.19 -0.04 -0.91 0.00 0.00 0.00 179.25 177.67 2bkc h ASN 19 N -0.12 -0.19 -0.57 0.00 4.21 0.58 -2.23 115.58 117.26 2bkc h ASN 19 Ca 0.03 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.56 2bkc h ASN 19 Cb 0.36 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.66 2bkc h ASN 19 CO 0.00 -0.06 0.20 -0.07 -1.29 0.00 0.00 177.43 176.22 2bkc h LEU 20 N 0.02 0.84 -1.13 1.61 4.07 0.01 0.58 115.31 121.32 2bkc h LEU 20 Ca 0.12 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2bkc h LEU 20 Cb 0.17 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2bkc h LEU 20 CO -0.24 0.78 -0.38 0.78 -1.08 0.00 0.00 178.44 178.31 2bkc h ASN 21 N 0.89 0.00 0.16 -0.43 2.35 -1.06 -0.45 115.58 117.04 2bkc h ASN 21 Ca 0.20 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.70 2bkc h ASN 21 Cb 0.23 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.63 2bkc h ASN 21 CO -0.01 0.38 -1.07 0.58 -1.65 0.00 0.00 177.43 175.66 2bkc h VAL 22 N 0.00 1.40 -0.26 2.81 2.07 -0.76 -3.22 116.25 118.28 2bkc h VAL 22 Ca -0.00 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 2bkc h VAL 22 Cb 0.79 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2bkc h VAL 22 CO 0.05 0.74 0.14 0.15 0.02 0.00 0.00 177.57 178.67 2bkc h PHE 23 N -0.08 0.35 -0.19 1.57 3.57 -0.76 -1.75 116.94 119.65 2bkc h PHE 23 Ca -0.18 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.17 2bkc h PHE 23 Cb 1.82 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.45 2bkc h PHE 23 CO 0.16 0.25 -0.48 0.00 -2.23 0.00 0.00 178.31 176.02 2bkc h THR 24 N 0.36 1.32 -0.04 4.41 1.03 -1.15 -1.73 112.91 117.11 2bkc h THR 24 Ca 0.09 -1.72 -0.09 0.00 -0.01 0.00 0.00 66.41 64.68 2bkc h THR 24 Cb 0.03 1.92 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 2bkc h THR 24 CO -0.01 0.53 -0.42 0.58 -0.01 0.00 0.00 175.52 176.19 2bkc h VAL 25 N 0.33 1.31 -0.35 0.00 2.07 -1.51 -2.78 116.25 115.31 2bkc h VAL 25 Ca -0.01 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 2bkc h VAL 25 Cb 1.09 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2bkc h VAL 25 CO 0.10 0.43 -0.15 0.50 0.02 0.00 0.00 177.57 178.47 2bkc h LYS 26 N 0.07 0.63 -0.65 1.57 3.64 -1.04 -1.18 116.57 119.61 2bkc h LYS 26 Ca 0.00 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2bkc h LYS 26 Cb 0.77 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 2bkc h LYS 26 CO 0.06 0.76 0.26 0.82 -2.27 0.00 0.00 179.45 179.07 2bkc h ILE 27 N 0.57 1.24 -0.20 2.00 2.04 -1.05 -0.59 117.51 121.53 2bkc h ILE 27 Ca 0.10 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2bkc h ILE 27 Cb 0.58 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2bkc h ILE 27 CO 0.04 0.30 0.12 0.45 0.00 0.00 0.00 178.15 179.05 2bkc h HIS 28 N 0.92 0.27 -0.61 1.37 3.86 -1.35 -1.79 115.15 117.81 2bkc h HIS 28 Ca 0.22 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.55 2bkc h HIS 28 Cb 0.22 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 28.50 2bkc h HIS 28 CO 0.01 0.23 0.00 0.37 0.86 0.00 0.00 177.93 179.41 2bkc h GLN 29 N 0.23 0.12 -0.41 2.45 4.15 -0.77 0.14 115.11 121.02 2bkc h GLN 29 Ca 0.07 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2bkc h GLN 29 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2bkc h GLN 29 CO -0.01 0.08 0.18 0.82 -1.93 0.00 0.00 178.83 177.97 2bkc h ILE 30 N 0.12 1.18 -0.26 2.39 2.04 -0.83 -1.92 117.51 120.24 2bkc h ILE 30 Ca 0.32 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2bkc h ILE 30 Cb 0.51 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2bkc h ILE 30 CO -0.52 0.20 0.15 -0.74 0.00 0.00 0.00 178.15 177.24 2bkc h HIS 31 N 0.52 0.35 -0.30 1.37 2.76 -0.97 -1.40 115.15 117.47 2bkc h HIS 31 Ca 0.14 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.15 2bkc h HIS 31 Cb 0.15 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2bkc h HIS 31 CO -0.01 0.28 -0.45 -1.49 -1.30 0.00 0.00 177.93 174.97 2bkc h TRP 32 N 0.32 0.95 -0.02 5.26 6.55 -0.50 -3.25 115.95 125.26 2bkc h TRP 32 Ca 0.09 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.63 2bkc h TRP 32 Cb 0.04 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 2bkc h TRP 32 CO -0.04 1.08 -0.42 0.66 -1.05 0.00 0.00 178.44 178.67 2bkc n TYR 33 N -4.02 0.00 -2.07 0.49 4.02 -0.74 -4.99 117.16 109.85 2bkc n TYR 33 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.88 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 -2.39 4.02 0.07 -0.72 0.23 -0.53 -4.99 119.30 114.99 2bkc s MET 34 Ca 0.19 2.15 0.02 0.00 -1.03 0.00 0.00 55.69 57.03 2bkc s MET 34 Cb 0.18 -2.79 -0.03 0.00 -1.53 0.00 0.00 34.83 30.65 2bkc s MET 34 CO 0.54 -0.45 -0.08 1.03 -2.03 0.00 0.00 175.02 174.03 2bkc s ARG 35 N -2.19 0.71 0.00 3.16 0.52 -1.26 -4.98 118.95 114.92 2bkc s ARG 35 Ca 0.56 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 2bkc s ARG 35 Cb -0.38 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 34.77 2bkc s ARG 35 CO 0.49 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2bkc n GLY 36 N 0.71 -0.96 0.25 -3.53 0.00 -1.26 -4.23 105.19 96.17 2bkc n GLY 36 Ca -0.17 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.41 1.61 3.86 -2.06 -1.32 115.15 116.83 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 0.14 0.00 0.09 0.86 0.00 0.00 177.93 179.02 2bkc n ASN 38 N -3.96 3.72 -0.14 2.45 5.03 -1.26 -4.55 115.26 116.56 2bkc n ASN 38 Ca -0.02 -2.45 -0.04 0.00 0.87 0.00 0.00 54.58 52.94 2bkc n ASN 38 Cb 0.22 -0.55 0.05 0.00 -1.02 0.00 0.00 39.78 38.49 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2bkc h PHE 39 N 2.68 0.23 0.15 3.10 3.57 -1.55 -0.21 116.94 124.92 2bkc h PHE 39 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2bkc h PHE 39 Cb 1.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2bkc h PHE 39 CO 0.62 0.06 -0.07 0.74 -2.23 0.00 0.00 178.31 177.43 2bkc h PHE 40 N 0.29 -0.19 -0.73 0.41 -1.00 -1.85 0.35 116.94 114.22 2bkc h PHE 40 Ca 0.22 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.00 2bkc h PHE 40 Cb 0.24 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 2bkc h PHE 40 CO -0.18 0.25 0.49 0.00 -1.61 0.00 0.00 178.31 177.25 2bkc h THR 41 N -0.76 1.19 0.00 -1.55 1.03 -1.86 -1.92 112.91 109.04 2bkc h THR 41 Ca -0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 2bkc h THR 41 Cb 0.52 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 2bkc h THR 41 CO 0.03 0.18 -0.72 -0.07 -0.01 0.00 0.00 175.52 174.94 2bkc h LEU 42 N 0.99 0.00 -0.51 0.00 4.07 -1.08 -3.00 115.31 115.77 2bkc h LEU 42 Ca 0.27 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.22 2bkc h LEU 42 Cb -0.11 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2bkc h LEU 42 CO -0.06 0.01 0.33 1.23 -1.08 0.00 0.00 178.44 178.88 2bkc h GLY 43 N 4.06 0.72 1.27 0.83 0.00 -0.18 -1.84 103.07 107.93 2bkc h GLY 43 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 2bkc h GLY 43 CO 0.00 0.25 -0.24 0.83 0.00 0.00 0.00 176.54 177.38 2bkc h GLU 44 N 0.68 0.83 -0.15 4.80 5.08 -1.45 -2.84 114.58 121.53 2bkc h GLU 44 Ca 0.19 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2bkc h GLU 44 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2bkc h GLU 44 CO -0.05 0.99 -0.48 0.87 -1.00 0.00 0.00 179.01 179.33 2bkc h LYS 45 N 0.72 0.39 -0.18 2.33 1.79 -1.39 -2.04 116.57 118.18 2bkc h LYS 45 Ca 0.09 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 2bkc h LYS 45 Cb 0.78 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 2bkc h LYS 45 CO 0.06 0.79 -0.27 0.52 -1.08 0.00 0.00 179.45 179.47 2bkc h MET 46 N 0.31 0.35 -0.40 3.15 2.86 -1.37 -1.66 114.93 118.16 2bkc h MET 46 Ca 0.02 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2bkc h MET 46 Cb 0.96 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2bkc h MET 46 CO 0.08 0.60 -0.07 -0.44 1.06 0.00 0.00 176.91 178.14 2bkc h ASP 47 N 0.31 0.75 -0.40 1.22 3.32 -1.21 0.66 116.42 121.07 2bkc h ASP 47 Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2bkc h ASP 47 Cb 0.64 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2bkc h ASP 47 CO 0.05 0.92 0.14 0.44 -1.72 0.00 0.00 179.24 179.07 2bkc h ASP 48 N 0.57 0.58 0.18 6.45 3.32 -1.23 -2.42 116.42 123.87 2bkc h ASP 48 Ca 0.11 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 2bkc h ASP 48 Cb 0.58 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2bkc h ASP 48 CO 0.03 0.62 -0.50 0.25 -1.72 0.00 0.00 179.24 177.92 2bkc h LEU 49 N 0.51 0.40 -0.52 1.55 5.85 -1.22 0.15 115.31 122.03 2bkc h LEU 49 Ca 0.13 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2bkc h LEU 49 Cb 0.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2bkc h LEU 49 CO -0.01 0.84 0.27 0.22 -0.34 0.00 0.00 178.44 179.42 2bkc h TYR 50 N 0.29 0.73 0.25 1.25 5.03 -0.74 0.21 116.97 123.99 2bkc h TYR 50 Ca 0.01 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 2bkc h TYR 50 Cb 0.99 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.04 2bkc h TYR 50 CO 0.03 0.55 -0.12 0.77 -1.32 0.00 0.00 178.16 178.07 2bkc h SER 51 N 0.69 -0.29 -0.51 -2.11 0.02 -0.92 -2.16 113.55 108.28 2bkc h SER 51 Ca 0.18 -0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2bkc h SER 51 Cb 0.08 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.59 2bkc h SER 51 CO -0.03 0.07 -0.15 -0.08 -1.14 0.00 0.00 176.83 175.50 2bkc h GLU 52 N -0.68 -0.03 0.00 3.45 4.81 -0.59 -1.74 114.58 119.80 2bkc h GLU 52 Ca -0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2bkc h GLU 52 Cb 0.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2bkc h GLU 52 CO 0.06 -0.02 -0.21 0.74 -0.73 0.00 0.00 179.01 178.85 2bkc h PHE 53 N -0.03 0.00 -0.35 0.92 -1.00 -0.96 -1.87 116.94 113.65 2bkc h PHE 53 Ca 0.24 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.88 2bkc h PHE 53 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 2bkc h PHE 53 CO -0.45 0.21 -0.34 0.78 -1.61 0.00 0.00 178.31 176.90 2bkc h GLY 54 N 2.98 0.86 1.71 -1.45 0.00 -0.87 -2.50 103.07 103.80 2bkc h GLY 54 Ca -0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 47.33 46.33 2bkc h GLY 54 CO 0.03 0.75 -0.66 -2.09 0.00 0.00 0.00 176.54 174.57 2bkc h GLU 55 N 0.66 0.30 -0.55 4.80 4.81 -1.10 -1.17 114.58 122.33 2bkc h GLU 55 Ca 0.07 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2bkc h GLU 55 Cb 0.89 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 2bkc h GLU 55 CO 0.08 0.85 0.29 1.96 -0.73 0.00 0.00 179.01 181.46 2bkc h GLN 56 N 0.21 0.54 -0.12 1.92 4.20 -1.37 -1.49 115.11 119.00 2bkc h GLN 56 Ca -0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2bkc h GLN 56 Cb 1.20 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2bkc h GLN 56 CO 0.11 0.36 -0.28 1.98 -0.67 0.00 0.00 178.83 180.32 2bkc h MET 57 N 0.55 0.22 -0.02 1.46 4.05 -1.11 -0.69 114.93 119.39 2bkc h MET 57 Ca 0.24 -0.08 -0.22 0.00 -0.28 0.00 0.00 59.70 59.36 2bkc h MET 57 Cb 0.14 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2bkc h MET 57 CO -0.16 0.49 -0.91 0.22 0.23 0.00 0.00 176.91 176.78 2bkc h ASP 58 N 0.20 0.60 0.16 1.39 1.82 -0.93 -2.52 116.42 117.13 2bkc h ASP 58 Ca 0.03 -0.46 -0.17 0.00 -0.39 0.00 0.00 57.03 56.04 2bkc h ASP 58 Cb 0.60 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2bkc h ASP 58 CO 0.04 1.25 -0.64 -0.33 -1.61 0.00 0.00 179.24 177.95 2bkc h GLU 59 N 0.28 0.46 -0.36 0.28 5.08 -0.75 -1.09 114.58 118.48 2bkc h GLU 59 Ca -0.08 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2bkc h GLU 59 Cb 1.54 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2bkc h GLU 59 CO 0.16 0.95 0.09 0.28 -1.00 0.00 0.00 179.01 179.49 2bkc h VAL 60 N 0.33 1.22 -0.22 3.13 2.07 -1.20 0.21 116.25 121.79 2bkc h VAL 60 Ca -0.01 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2bkc h VAL 60 Cb 1.20 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2bkc h VAL 60 CO 0.11 0.26 -0.16 0.00 0.02 0.00 0.00 177.57 177.80 2bkc h ALA 61 N 0.93 1.31 0.23 1.67 0.00 -1.29 -0.59 119.26 121.51 2bkc h ALA 61 Ca 0.11 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 2bkc h ALA 61 Cb 0.30 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2bkc h ALA 61 CO 0.00 0.46 -1.43 0.93 0.00 0.00 0.00 179.25 179.21 2bkc h GLU 62 N 0.35 0.51 -0.77 0.00 5.08 -1.07 -1.92 114.58 116.77 2bkc h GLU 62 Ca 0.06 -0.86 -0.01 0.00 -1.00 0.00 0.00 59.36 57.55 2bkc h GLU 62 Cb 0.50 0.32 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2bkc h GLU 62 CO 0.03 1.41 0.44 -0.09 -1.00 0.00 0.00 179.01 179.80 2bkc h ARG 63 N 0.15 1.06 -0.46 2.33 9.65 -0.38 -1.70 114.38 125.02 2bkc h ARG 63 Ca -0.24 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.44 2bkc h ARG 63 Cb 2.13 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 30.48 2bkc h ARG 63 CO 0.27 0.76 -0.09 1.25 2.80 0.00 0.00 179.97 184.95 2bkc h LEU 64 N 1.07 0.88 -1.06 3.80 5.85 -1.08 -2.67 115.31 122.09 2bkc h LEU 64 Ca 0.27 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2bkc h LEU 64 Cb -0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 2bkc h LEU 64 CO -0.05 1.03 0.63 -0.07 -0.34 0.00 0.00 178.44 179.64 2bkc h LEU 65 N 0.72 1.00 -0.29 2.25 -0.00 -1.23 0.55 115.31 118.31 2bkc h LEU 65 Ca 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2bkc h LEU 65 Cb 0.63 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2bkc h LEU 65 CO 0.04 0.64 0.00 0.00 -0.00 0.00 0.00 178.44 179.12 2bkc h ALA 66 N 1.47 1.00 -0.48 1.53 0.00 -0.98 -2.17 119.26 119.63 2bkc h ALA 66 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2bkc h ALA 66 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bkc h ALA 66 CO -0.16 0.00 0.01 0.44 0.00 0.00 0.00 179.25 179.54 2bkc n ILE 67 N -2.44 2.64 -0.83 0.00 -5.35 -1.06 -4.93 119.36 107.38 2bkc n ILE 67 Ca 0.04 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 2bkc n ILE 67 Cb 0.38 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 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 0.21 0.50 3.97 3.28 0.00 -0.82 -5.05 105.19 107.28 2bkc n GLY 68 Ca 0.27 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2bkc n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bkc s GLY 69 N -2.72 1.76 -0.34 -0.02 0.00 0.19 -4.98 107.32 101.21 2bkc s GLY 69 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 2bkc s GLY 69 CO 0.00 -0.93 0.16 -0.56 0.00 0.00 0.00 173.10 171.77 2bkc s SER 70 N -4.63 3.53 0.46 1.64 0.01 -1.26 -4.23 113.70 109.22 2bkc s SER 70 Ca 0.64 -1.89 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 2bkc s SER 70 Cb -0.07 -0.63 -0.08 0.00 0.21 0.00 0.00 66.02 65.45 2bkc s SER 70 CO 0.44 -0.36 1.08 -2.16 0.41 0.00 0.00 173.24 172.64 2bkc s PRO 71 N 1.35 3.83 0.57 12.44 0.04 -1.26 -5.00 135.00 146.97 2bkc s PRO 71 Ca 0.13 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 2bkc s PRO 71 Cb -0.20 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 2bkc s PRO 71 CO -0.16 -0.43 1.02 1.19 0.04 0.00 0.00 177.00 178.66 2bkc n PHE 72 N -0.67 1.06 -2.07 0.56 0.99 -1.26 -4.96 117.46 111.11 2bkc n PHE 72 Ca 0.08 0.45 -0.01 0.00 -0.00 0.00 0.00 57.45 57.97 2bkc n PHE 72 Cb 0.51 -2.18 -0.02 0.00 -1.00 0.00 0.00 39.48 36.79 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 -0.61 -0.12 -4.15 4.37 3.41 -1.26 -4.98 113.62 110.29 2bkc n SER 73 Ca 0.13 -1.61 -0.09 0.00 -0.26 0.00 0.00 58.87 57.04 2bkc n SER 73 Cb 0.46 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.51 0.11 6.66 -4.23 -1.26 -5.05 115.64 112.38 2bkc s THR 74 Ca 0.05 -1.90 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 2bkc s THR 74 Cb 0.05 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 2bkc s THR 74 CO -0.02 -0.88 1.70 -0.07 -0.54 0.00 0.00 174.62 174.80 2bkc h LEU 75 N 3.01 0.34 -0.78 4.79 4.07 -1.99 -2.25 115.31 122.50 2bkc h LEU 75 Ca -0.35 -0.11 0.10 0.00 0.08 0.00 0.00 57.88 57.60 2bkc h LEU 75 Cb 1.16 -0.09 -0.12 0.00 1.08 0.00 0.00 40.66 42.69 2bkc h LEU 75 CO 0.65 0.36 -0.47 0.50 -1.08 0.00 0.00 178.44 178.39 2bkc h LYS 76 N 0.30 -0.12 -0.45 1.13 3.64 -2.00 -0.60 116.57 118.48 2bkc h LYS 76 Ca 0.09 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2bkc h LYS 76 Cb 0.10 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2bkc h LYS 76 CO -0.01 -0.08 0.04 0.93 -2.27 0.00 0.00 179.45 178.05 2bkc h GLU 77 N -0.12 0.71 -0.61 1.90 5.08 -1.93 -1.61 114.58 118.00 2bkc h GLU 77 Ca 0.21 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2bkc h GLU 77 Cb 0.53 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2bkc h GLU 77 CO -0.82 0.70 0.20 0.74 -1.00 0.00 0.00 179.01 178.83 2bkc h PHE 78 N 0.68 0.98 -0.35 4.33 0.05 -0.69 -2.51 116.94 119.43 2bkc h PHE 78 Ca 0.14 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.82 2bkc h PHE 78 Cb 0.37 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 2bkc h PHE 78 CO 0.02 0.80 0.17 -0.07 -0.18 0.00 0.00 178.31 179.05 2bkc h LEU 79 N 0.87 0.45 -2.29 1.54 3.38 -0.75 -1.07 115.31 117.43 2bkc h LEU 79 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2bkc h LEU 79 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2bkc h LEU 79 CO -0.01 0.44 -0.03 -0.33 0.09 0.00 0.00 178.44 178.60 2bkc h GLU 80 N 0.42 0.00 0.00 1.13 5.08 -1.18 -3.28 114.58 116.75 2bkc h GLU 80 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2bkc h GLU 80 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bkc h GLU 80 CO -0.02 0.03 -0.56 0.09 -1.00 0.00 0.00 179.01 177.56 2bkc n ASN 81 N -3.27 1.54 -4.83 1.42 4.13 -0.96 -5.05 115.26 108.24 2bkc n ASN 81 Ca -0.02 -0.39 -0.32 0.00 1.68 0.00 0.00 54.58 55.53 2bkc n ASN 81 Cb 0.17 1.07 -0.05 0.00 -1.54 0.00 0.00 39.78 39.43 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 -1.73 3.09 -0.23 5.41 0.00 -0.42 -4.88 121.76 123.01 2bkc s ALA 82 Ca 0.00 0.25 0.14 0.00 0.00 0.00 0.00 51.96 52.36 2bkc s ALA 82 Cb 0.03 -3.08 -0.20 0.00 0.00 0.00 0.00 23.12 19.87 2bkc s ALA 82 CO 0.18 -0.00 0.41 -1.13 0.00 0.00 0.00 175.76 175.22 2bkc n SER 83 N -1.02 1.36 -4.77 0.00 3.41 -1.26 -4.95 113.62 106.40 2bkc n SER 83 Ca 0.06 -0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 2bkc n SER 83 Cb 0.54 1.44 -0.00 0.00 -0.26 0.00 0.00 64.21 65.93 2bkc n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bkc s VAL 84 N -2.77 2.42 0.11 -3.33 1.01 -1.26 -5.02 120.40 111.56 2bkc s VAL 84 Ca -0.02 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.41 2bkc s VAL 84 Cb 0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2bkc s VAL 84 CO 0.59 0.08 0.02 -1.61 0.00 0.00 0.00 175.10 174.17 2bkc s GLU 85 N -2.13 2.58 0.13 2.72 2.02 -1.26 -5.00 118.70 117.75 2bkc s GLU 85 Ca 0.55 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.71 2bkc s GLU 85 Cb -0.41 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2bkc s GLU 85 CO 0.54 0.52 -0.13 -1.83 0.02 0.00 0.00 175.26 174.38 2bkc s GLU 86 N -2.51 1.04 0.03 1.61 -1.05 -1.26 -4.99 118.70 111.58 2bkc s GLU 86 Ca 0.27 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2bkc s GLU 86 Cb -0.11 -0.86 -0.03 0.00 -0.44 0.00 0.00 34.13 32.70 2bkc s GLU 86 CO 0.19 0.15 -0.04 0.00 0.95 0.00 0.00 175.26 176.51 2bkc s ALA 87 N -2.41 0.31 0.42 -0.84 0.00 -1.26 -5.14 121.76 112.85 2bkc s ALA 87 Ca 0.11 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 2bkc s ALA 87 Cb -0.03 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 2bkc s ALA 87 CO 0.03 -0.17 1.22 -2.30 0.00 0.00 0.00 175.76 174.54 2bkc n PRO 88 N 1.24 1.80 -2.70 0.00 -0.02 -1.26 -4.93 135.00 129.13 2bkc n PRO 88 Ca -0.21 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 2bkc n PRO 88 Cb 0.56 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2bkc n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bkc s TYR 89 N -1.21 2.73 0.01 6.00 5.04 -1.26 -4.80 117.35 123.86 2bkc s TYR 89 Ca 0.62 0.28 -0.05 0.00 -2.44 0.00 0.00 57.07 55.47 2bkc s TYR 89 Cb -0.52 -4.29 -0.02 0.00 0.35 0.00 0.00 41.96 37.49 2bkc s TYR 89 CO 0.57 -1.42 -0.10 0.25 -1.34 0.00 0.00 175.55 173.51 2bkc n THR 90 N 6.48 1.24 -2.74 4.34 -2.24 -1.26 -5.03 114.28 115.07 2bkc n THR 90 Ca 0.06 0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.82 2bkc n THR 90 Cb 0.48 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.88 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -2.20 4.14 0.69 -0.78 1.02 -1.26 -5.05 119.74 116.30 2bkc s LYS 91 Ca -0.08 1.20 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 2bkc s LYS 91 Cb 0.01 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 2bkc s LYS 91 CO 0.12 -0.12 1.23 -2.14 -0.92 0.00 0.00 175.35 173.53 2bkc s PRO 92 N -3.12 2.38 -0.02 -1.68 0.02 -1.26 -5.05 135.00 126.26 2bkc s PRO 92 Ca 0.63 1.86 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 2bkc s PRO 92 Cb -0.12 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.56 2bkc s PRO 92 CO 0.16 -1.68 0.13 0.15 -0.33 0.00 0.00 177.00 175.43 2bkc s LYS 93 N -3.67 0.34 0.85 5.54 1.02 -1.26 -5.16 119.74 117.41 2bkc s LYS 93 Ca 0.77 -0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.48 2bkc s LYS 93 Cb -0.32 0.15 0.10 0.00 -0.52 0.00 0.00 37.83 37.24 2bkc s LYS 93 CO 0.42 -0.07 1.16 0.95 -0.92 0.00 0.00 175.35 176.88 2bkc s THR 94 N -0.77 2.05 0.31 2.17 -4.23 -1.26 -4.82 115.64 109.09 2bkc s THR 94 Ca -0.09 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2bkc s THR 94 Cb -0.05 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2bkc s THR 94 CO 0.01 -0.02 1.97 -0.03 -0.54 0.00 0.00 174.62 176.00 2bkc h MET 95 N -1.25 1.03 -0.42 3.99 4.05 -1.98 -2.40 114.93 117.94 2bkc h MET 95 Ca -0.48 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 58.79 2bkc h MET 95 Cb 1.33 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 2bkc h MET 95 CO 0.64 0.69 -0.06 -0.44 0.23 0.00 0.00 176.91 177.98 2bkc h ASP 96 N 1.05 0.69 -0.11 1.39 5.19 -1.94 -1.14 116.42 121.56 2bkc h ASP 96 Ca 0.28 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 2bkc h ASP 96 Cb -0.10 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.23 2bkc h ASP 96 CO -0.06 0.79 -0.10 1.56 -3.12 0.00 0.00 179.24 178.31 2bkc h GLN 97 N 0.66 0.27 -0.93 3.56 4.20 -1.80 -1.67 115.11 119.38 2bkc h GLN 97 Ca 0.12 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2bkc h GLN 97 Cb 0.49 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2bkc h GLN 97 CO 0.03 0.67 0.62 -0.07 -0.67 0.00 0.00 178.83 179.40 2bkc h LEU 98 N -0.13 1.04 -1.03 1.46 3.38 -1.43 -2.04 115.31 116.55 2bkc h LEU 98 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2bkc h LEU 98 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2bkc h LEU 98 CO 0.03 0.73 -0.26 0.24 0.09 0.00 0.00 178.44 179.27 2bkc h MET 99 N 1.21 0.38 -0.68 1.13 2.86 -1.11 -1.76 114.93 116.96 2bkc h MET 99 Ca 0.36 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2bkc h MET 99 Cb -0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2bkc h MET 99 CO -0.10 0.61 0.30 0.93 1.06 0.00 0.00 176.91 179.72 2bkc h GLU 100 N 0.34 0.97 -0.19 1.72 5.08 -0.61 0.69 114.58 122.58 2bkc h GLU 100 Ca 0.05 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 2bkc h GLU 100 Cb 0.64 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2bkc h GLU 100 CO 0.05 0.76 -0.63 0.22 -1.00 0.00 0.00 179.01 178.41 2bkc h ASP 101 N 0.96 0.87 0.09 1.42 3.58 -1.19 -1.07 116.42 121.09 2bkc h ASP 101 Ca 0.23 -0.60 0.02 0.00 0.42 0.00 0.00 57.03 57.10 2bkc h ASP 101 Cb 0.13 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2bkc h ASP 101 CO -0.03 1.32 -0.21 0.25 -2.88 0.00 0.00 179.24 177.70 2bkc h LEU 102 N 0.48 -0.59 0.01 2.28 6.46 -1.04 -2.11 115.31 120.80 2bkc h LEU 102 Ca -0.03 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2bkc h LEU 102 Cb 1.25 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 2bkc h LEU 102 CO 0.13 -0.29 -0.00 0.58 -0.62 0.00 0.00 178.44 178.24 2bkc h VAL 103 N -0.39 1.02 -0.96 1.05 2.07 -0.80 -1.92 116.25 116.34 2bkc h VAL 103 Ca 0.03 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2bkc h VAL 103 Cb 0.41 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2bkc h VAL 103 CO -0.13 0.02 0.62 1.23 0.02 0.00 0.00 177.57 179.34 2bkc h GLY 104 N -0.05 1.17 1.15 2.17 0.00 -1.19 -1.23 103.07 105.09 2bkc h GLY 104 Ca -0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 2bkc h GLY 104 CO 0.00 -0.04 -0.84 -0.84 0.00 0.00 0.00 176.54 174.82 2bkc h THR 105 N 0.50 1.29 -0.53 4.70 2.02 -0.87 -1.99 112.91 118.02 2bkc h THR 105 Ca 0.52 -2.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 2bkc h THR 105 Cb 1.17 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 2bkc h THR 105 CO -0.25 0.64 0.22 -0.07 0.37 0.00 0.00 175.52 176.43 2bkc h LEU 106 N 0.45 0.69 -0.72 2.58 3.38 -0.73 -2.02 115.31 118.94 2bkc h LEU 106 Ca -0.08 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2bkc h LEU 106 Cb 1.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2bkc h LEU 106 CO 0.17 0.62 0.07 -0.33 0.09 0.00 0.00 178.44 179.06 2bkc h GLU 107 N 0.76 1.05 -0.21 1.13 5.08 -1.15 0.21 114.58 121.44 2bkc h GLU 107 Ca 0.18 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2bkc h GLU 107 Cb 0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2bkc h GLU 107 CO -0.02 0.98 0.03 1.25 -1.00 0.00 0.00 179.01 180.25 2bkc h LEU 108 N 0.98 0.35 -0.98 1.33 6.46 -1.16 -2.23 115.31 120.07 2bkc h LEU 108 Ca 0.19 -0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.61 2bkc h LEU 108 Cb 0.47 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2bkc h LEU 108 CO 0.02 0.53 0.05 -0.07 -0.62 0.00 0.00 178.44 178.35 2bkc h LEU 109 N 0.15 0.76 -0.60 2.25 3.38 -1.23 -1.20 115.31 118.81 2bkc h LEU 109 Ca 0.06 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2bkc h LEU 109 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2bkc h LEU 109 CO 0.01 0.79 0.36 -0.09 0.09 0.00 0.00 178.44 179.59 2bkc h ARG 110 N 0.76 0.69 0.04 1.13 2.43 -0.37 -1.22 114.38 117.83 2bkc h ARG 110 Ca 0.16 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.04 2bkc h ARG 110 Cb 0.38 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2bkc h ARG 110 CO 0.01 0.45 -1.22 -0.44 -1.51 0.00 0.00 179.97 177.27 2bkc h ASP 111 N 0.71 0.13 -0.15 -3.80 3.32 -1.19 -2.61 116.42 112.82 2bkc h ASP 111 Ca 0.24 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 2bkc h ASP 111 Cb 0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2bkc h ASP 111 CO -0.11 1.13 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.95 2bkc h GLU 112 N 0.02 0.62 -0.41 3.56 5.08 -1.15 -2.71 114.58 119.59 2bkc h GLU 112 Ca -0.10 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2bkc h GLU 112 Cb 1.88 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 2bkc h GLU 112 CO 0.14 0.82 0.02 1.88 -1.00 0.00 0.00 179.01 180.87 2bkc h TYR 113 N 0.54 0.68 -0.81 4.33 -1.99 -1.16 -0.96 116.97 117.60 2bkc h TYR 113 Ca 0.07 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.80 2bkc h TYR 113 Cb 0.73 -0.19 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 2bkc h TYR 113 CO 0.03 0.64 0.48 -0.22 -0.00 0.00 0.00 178.16 179.09 2bkc h LYS 114 N 0.62 0.84 -0.59 4.88 3.11 -1.26 0.18 116.57 124.35 2bkc h LYS 114 Ca 0.13 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.83 2bkc h LYS 114 Cb 0.36 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 2bkc h LYS 114 CO 0.01 0.55 0.03 1.96 -2.81 0.00 0.00 179.45 179.20 2bkc h GLN 115 N 0.86 1.01 -0.63 1.90 1.08 -1.10 -2.12 115.11 116.12 2bkc h GLN 115 Ca 0.36 -0.31 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2bkc h GLN 115 Cb 0.23 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 2bkc h GLN 115 CO -0.19 0.99 0.21 0.78 -0.95 0.00 0.00 178.83 179.66 2bkc h GLY 116 N 0.91 1.03 0.95 3.46 0.00 -0.27 -1.16 103.07 107.98 2bkc h GLY 116 Ca 0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 2bkc h GLY 116 CO 0.02 0.54 -0.17 -2.22 0.00 0.00 0.00 176.54 174.71 2bkc h ILE 117 N 0.93 1.29 -0.66 2.60 2.04 -0.65 -1.36 117.51 121.70 2bkc h ILE 117 Ca 0.21 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 2bkc h ILE 117 Cb 0.25 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2bkc h ILE 117 CO -0.01 0.42 0.19 -0.33 0.00 0.00 0.00 178.15 178.41 2bkc h GLU 118 N 0.46 1.02 -0.58 2.37 5.08 -1.18 -2.22 114.58 119.54 2bkc h GLU 118 Ca 0.07 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2bkc h GLU 118 Cb 0.71 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2bkc h GLU 118 CO 0.05 0.89 -0.03 1.25 -1.00 0.00 0.00 179.01 180.17 2bkc h LEU 119 N 0.98 1.00 0.02 1.33 5.85 -1.13 -3.01 115.31 120.37 2bkc h LEU 119 Ca 0.21 -0.29 -0.23 0.00 0.84 0.00 0.00 57.88 58.41 2bkc h LEU 119 Cb 0.31 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2bkc h LEU 119 CO -0.00 1.07 -1.11 0.71 -0.34 0.00 0.00 178.44 178.77 2bkc h THR 120 N 0.93 1.60 -0.58 1.05 1.35 -1.18 -2.12 112.91 113.96 2bkc h THR 120 Ca 0.16 -3.30 -0.01 0.00 -0.55 0.00 0.00 66.41 62.71 2bkc h THR 120 Cb 0.57 2.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.80 2bkc h THR 120 CO 0.03 0.92 0.32 -0.78 -0.25 0.00 0.00 175.52 175.77 2bkc h ASP 121 N 0.01 0.71 0.36 5.36 -0.00 -1.37 -0.61 116.42 120.89 2bkc h ASP 121 Ca -0.06 -0.05 -0.32 0.00 -0.00 0.00 0.00 57.03 56.60 2bkc h ASP 121 Cb 1.83 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.33 40.94 2bkc h ASP 121 CO 0.14 0.58 -1.79 0.11 -0.00 0.00 0.00 179.24 178.28 2bkc h LYS 122 N 0.81 0.12 0.00 0.28 1.79 -1.46 -3.21 116.57 114.90 2bkc h LYS 122 Ca 0.21 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bkc h LYS 122 Cb 0.02 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2bkc h LYS 122 CO -0.03 0.82 0.00 1.49 -1.08 0.00 0.00 179.45 180.65 2bkc h GLU 123 N 0.03 0.00 -0.00 3.15 4.81 -1.39 -3.47 114.58 117.70 2bkc h GLU 123 Ca -0.33 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2bkc h GLU 123 Cb 2.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.40 2bkc h GLU 123 CO 0.09 0.00 -0.00 0.41 -0.73 0.00 0.00 179.01 178.78 2bkc n GLY 124 N -0.22 0.48 3.57 1.92 0.00 -0.33 -4.98 105.19 105.63 2bkc n GLY 124 Ca 0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.16 6.39 0.55 1.61 3.68 -0.64 -4.79 116.67 121.30 2bkc s ASP 125 Ca 0.00 -1.96 0.33 0.00 2.13 0.00 0.00 52.55 53.05 2bkc s ASP 125 Cb 0.00 -2.58 1.49 0.00 -1.45 0.00 0.00 42.92 40.38 2bkc s ASP 125 CO 0.00 -1.63 2.04 0.44 0.13 0.00 0.00 175.17 176.15 2bkc h ASP 126 N 8.71 0.00 0.05 -0.34 3.45 -1.94 -2.48 116.42 123.87 2bkc h ASP 126 Ca 0.33 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.72 2bkc h ASP 126 Cb 0.93 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.70 2bkc h ASP 126 CO 1.40 0.06 -0.31 0.58 -1.57 0.00 0.00 179.24 179.41 2bkc h VAL 127 N 0.00 1.68 -0.64 -1.35 2.07 -1.96 -2.23 116.25 113.81 2bkc h VAL 127 Ca -0.00 -2.41 0.02 0.00 0.82 0.00 0.00 66.70 65.13 2bkc h VAL 127 Cb 0.43 3.30 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 2bkc h VAL 127 CO 0.01 0.64 0.41 0.74 0.02 0.00 0.00 177.57 179.39 2bkc h THR 128 N -0.79 1.12 -0.74 2.57 2.02 -1.97 -1.73 112.91 113.40 2bkc h THR 128 Ca -0.06 -0.28 0.15 0.00 0.77 0.00 0.00 66.41 66.99 2bkc h THR 128 Cb 1.22 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.72 2bkc h THR 128 CO 0.04 0.15 -0.13 -1.13 0.37 0.00 0.00 175.52 174.82 2bkc h ASN 129 N 0.82 -0.59 0.45 4.18 -0.73 -1.53 -1.24 115.58 116.94 2bkc h ASN 129 Ca 0.25 0.21 -0.14 0.00 1.87 0.00 0.00 56.30 58.49 2bkc h ASN 129 Cb -0.04 0.42 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2bkc h ASN 129 CO -0.08 -0.23 -0.60 -0.78 -0.37 0.00 0.00 177.43 175.37 2bkc h ASP 130 N 0.02 0.16 -0.57 1.15 3.58 -1.04 -2.29 116.42 117.43 2bkc h ASP 130 Ca 0.37 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 2bkc h ASP 130 Cb 0.59 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 2bkc h ASP 130 CO -0.73 0.73 0.11 -0.03 -2.88 0.00 0.00 179.24 176.43 2bkc h MET 131 N 0.11 0.98 -0.05 0.28 4.05 -0.55 -2.71 114.93 117.04 2bkc h MET 131 Ca -0.01 -0.24 -0.23 0.00 -0.28 0.00 0.00 59.70 58.94 2bkc h MET 131 Cb 1.09 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2bkc h MET 131 CO 0.09 0.90 -0.90 -0.07 0.23 0.00 0.00 176.91 177.15 2bkc h LEU 132 N 0.93 0.74 -1.11 3.39 4.07 -1.05 -2.86 115.31 119.42 2bkc h LEU 132 Ca 0.19 -0.55 -0.08 0.00 0.08 0.00 0.00 57.88 57.51 2bkc h LEU 132 Cb 0.39 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2bkc h LEU 132 CO 0.01 1.34 -0.29 0.40 -1.08 0.00 0.00 178.44 178.82 2bkc h ILE 133 N 0.36 1.26 -0.33 1.22 2.04 -1.36 -1.29 117.51 119.41 2bkc h ILE 133 Ca -0.08 -1.23 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 2bkc h ILE 133 Cb 1.53 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2bkc h ILE 133 CO 0.17 0.37 -0.43 0.00 0.00 0.00 0.00 178.15 178.26 2bkc h ALA 134 N 1.47 0.61 -0.51 1.87 0.00 -1.39 -1.73 119.26 119.58 2bkc h ALA 134 Ca 0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2bkc h ALA 134 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2bkc h ALA 134 CO 0.05 0.67 -0.14 0.74 0.00 0.00 0.00 179.25 180.57 2bkc h PHE 135 N 0.67 1.12 -0.45 0.00 0.05 -1.30 -2.96 116.94 114.07 2bkc h PHE 135 Ca 0.05 -0.25 -0.08 0.00 3.82 0.00 0.00 57.97 61.51 2bkc h PHE 135 Cb 1.01 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.67 2bkc h PHE 135 CO 0.06 1.06 -0.05 -0.22 -0.18 0.00 0.00 178.31 178.99 2bkc h LYS 136 N 0.86 0.76 -0.40 1.51 3.64 -1.19 0.82 116.57 122.58 2bkc h LYS 136 Ca 0.13 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2bkc h LYS 136 Cb 0.71 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2bkc h LYS 136 CO 0.05 0.80 0.15 0.00 -2.27 0.00 0.00 179.45 178.18 2bkc h ALA 137 N 1.24 0.47 -0.22 5.00 0.00 -1.20 0.30 119.26 124.85 2bkc h ALA 137 Ca 0.13 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2bkc h ALA 137 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bkc h ALA 137 CO 0.03 -0.24 -0.62 1.03 0.00 0.00 0.00 179.25 179.44 2bkc h SER 138 N 0.31 0.85 -0.79 0.00 0.87 -1.31 -2.70 113.55 110.79 2bkc h SER 138 Ca 0.18 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2bkc h SER 138 Cb 0.15 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2bkc h SER 138 CO -0.18 1.27 0.48 0.40 -0.53 0.00 0.00 176.83 178.27 2bkc h ILE 139 N 0.55 1.22 -0.87 2.23 2.04 -0.26 -1.92 117.51 120.50 2bkc h ILE 139 Ca -0.01 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2bkc h ILE 139 Cb 1.22 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2bkc h ILE 139 CO 0.13 0.23 0.50 0.44 0.00 0.00 0.00 178.15 179.44 2bkc h ASP 140 N 1.08 1.07 -0.43 1.72 3.32 -0.36 -1.62 116.42 121.20 2bkc h ASP 140 Ca 0.28 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2bkc h ASP 140 Cb -0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2bkc h ASP 140 CO -0.05 0.85 0.15 0.50 -1.72 0.00 0.00 179.24 178.96 2bkc h LYS 141 N 1.21 0.66 -0.45 3.56 3.64 -1.19 -2.49 116.57 121.51 2bkc h LYS 141 Ca 0.31 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2bkc h LYS 141 Cb 0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2bkc h LYS 141 CO -0.05 0.63 0.19 0.45 -2.27 0.00 0.00 179.45 178.40 2bkc h HIS 142 N 0.55 0.63 -0.57 1.91 3.86 -1.03 -1.30 115.15 119.20 2bkc h HIS 142 Ca 0.14 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2bkc h HIS 142 Cb 0.24 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2bkc h HIS 142 CO 0.01 0.48 0.18 0.82 0.86 0.00 0.00 177.93 180.29 2bkc h ILE 143 N 0.63 1.24 -0.69 2.45 2.04 -1.28 -0.88 117.51 121.02 2bkc h ILE 143 Ca 0.16 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 2bkc h ILE 143 Cb 0.11 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2bkc h ILE 143 CO -0.02 0.30 0.17 -0.25 0.00 0.00 0.00 178.15 178.35 2bkc h TRP 144 N 0.79 1.15 -0.06 1.37 7.01 -0.89 -2.27 115.95 123.06 2bkc h TRP 144 Ca 0.18 -0.14 -0.21 0.00 2.11 0.00 0.00 58.89 60.84 2bkc h TRP 144 Cb 0.27 -0.33 0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2bkc h TRP 144 CO 0.02 0.94 -0.78 0.52 -2.79 0.00 0.00 178.44 176.35 2bkc h MET 145 N 1.03 0.63 -0.11 2.65 2.86 -1.15 -2.56 114.93 118.28 2bkc h MET 145 Ca 0.22 -0.60 -0.20 0.00 -2.06 0.00 0.00 59.70 57.06 2bkc h MET 145 Cb 0.36 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2bkc h MET 145 CO 0.00 1.21 -0.74 0.74 1.06 0.00 0.00 176.91 179.18 2bkc h PHE 146 N 0.26 0.74 -0.67 -0.22 -1.00 -1.19 -3.24 116.94 111.62 2bkc h PHE 146 Ca -0.08 -0.32 -0.08 0.00 2.81 0.00 0.00 57.97 60.29 2bkc h PHE 146 Cb 1.44 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.86 2bkc h PHE 146 CO 0.11 1.11 0.11 0.87 -1.61 0.00 0.00 178.31 178.89 2bkc h LYS 147 N 0.37 1.12 -1.98 1.51 1.57 -1.49 -2.08 116.57 115.59 2bkc h LYS 147 Ca -0.04 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 2bkc h LYS 147 Cb 1.33 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2bkc h LYS 147 CO 0.14 1.02 -0.12 0.00 -0.57 0.00 0.00 179.45 179.92 2bkc n ALA 148 N -2.47 4.98 0.00 3.86 0.00 -0.97 0.20 120.51 126.12 2bkc n ALA 148 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2bkc n ALA 148 Cb 0.30 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2bkc n ALA 148 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkc n PHE 149 N 1.81 0.00 1.77 0.00 7.35 -1.07 -4.62 117.46 122.70 2bkc n PHE 149 Ca 0.18 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.94 2bkc n PHE 149 Cb 0.66 0.00 0.43 0.00 0.35 0.00 0.00 39.48 40.91 2bkc n PHE 149 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2bkc n LEU 150 N -1.03 0.00 -0.25 -2.13 4.77 -0.81 -4.91 117.00 112.65 2bkc n LEU 150 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2bkc n LEU 150 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2bkc n LEU 150 CO 0.00 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.64 2bkc n GLY 151 N 0.58 0.63 3.54 -0.72 0.00 -0.58 -5.03 105.19 103.61 2bkc n GLY 151 Ca 0.11 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 1.95 0.70 1.61 -0.14 0.54 -4.92 119.74 117.48 2bkc s LYS 152 Ca 0.00 -1.33 -0.14 0.00 -1.36 0.00 0.00 55.97 53.14 2bkc s LYS 152 Cb 0.00 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 2bkc s LYS 152 CO 0.00 0.43 1.14 0.00 -0.76 0.00 0.00 175.35 176.15 2bkc s ALA 153 N -1.71 2.30 0.13 5.17 0.00 -1.26 -2.47 121.76 123.92 2bkc s ALA 153 Ca 0.24 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2bkc s ALA 153 Cb -0.09 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2bkc s ALA 153 CO 0.14 -1.56 1.50 -1.00 0.00 0.00 0.00 175.76 174.84 2bkc h PRO 154 N -0.25 0.86 -0.54 0.00 0.13 -1.88 -3.24 132.00 127.08 2bkc h PRO 154 Ca -0.47 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2bkc h PRO 154 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bkc h PRO 154 CO 0.52 1.04 0.00 1.28 -0.23 0.00 0.00 178.00 180.61 2bkc n LEU 155 N -4.19 2.92 0.00 1.56 4.77 -1.26 -4.88 117.00 115.93 2bkc n LEU 155 Ca -0.02 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 2bkc n LEU 155 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2bkc n LEU 155 CO 0.46 0.67 0.00 -0.62 -1.33 0.00 0.00 177.39 176.57