#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 2.05 0.13 4.52 1.47 -1.26 -5.08 116.67 118.51 2bkc s ASP 8 Ca 0.00 -1.74 -0.19 0.00 1.18 0.00 0.00 52.55 51.81 2bkc s ASP 8 Cb 0.00 0.56 -0.03 0.00 -0.34 0.00 0.00 42.92 43.11 2bkc s ASP 8 CO 0.00 -1.03 1.77 0.74 0.68 0.00 0.00 175.17 177.33 2bkc h THR 9 N 2.01 1.00 -0.09 2.11 2.02 -1.99 -2.75 112.91 115.23 2bkc h THR 9 Ca -0.28 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 66.83 2bkc h THR 9 Cb 1.25 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2bkc h THR 9 CO 0.43 0.05 -0.05 0.11 0.37 0.00 0.00 175.52 176.43 2bkc h LYS 10 N 0.27 -0.05 -0.52 6.66 1.57 -1.98 -1.85 116.57 120.67 2bkc h LYS 10 Ca 0.10 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2bkc h LYS 10 Cb 0.02 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.25 2bkc h LYS 10 CO -0.07 -0.03 -0.13 1.49 -0.57 0.00 0.00 179.45 180.14 2bkc h GLU 11 N -0.05 0.00 -0.00 3.15 4.81 -1.98 -1.92 114.58 118.59 2bkc h GLU 11 Ca 0.05 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2bkc h GLU 11 Cb 0.13 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2bkc h GLU 11 CO -0.12 0.00 0.00 0.35 -0.73 0.00 0.00 179.01 178.51 2bkc h PHE 12 N 0.00 0.00 -0.63 0.92 3.57 -1.14 -1.20 116.94 118.46 2bkc h PHE 12 Ca 0.25 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2bkc h PHE 12 Cb 0.38 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2bkc h PHE 12 CO -0.44 0.09 0.34 -0.07 -2.23 0.00 0.00 178.31 176.01 2bkc h LEU 13 N -0.08 0.50 -0.61 0.59 4.07 -1.29 -1.99 115.31 116.50 2bkc h LEU 13 Ca 0.00 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 2bkc h LEU 13 Cb 0.09 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 2bkc h LEU 13 CO -0.00 0.33 0.06 -1.13 -1.08 0.00 0.00 178.44 176.62 2bkc h ASN 14 N 0.64 0.99 -0.86 -0.43 -0.73 -1.30 -0.89 115.58 113.01 2bkc h ASN 14 Ca 0.28 -0.28 0.13 0.00 1.87 0.00 0.00 56.30 58.30 2bkc h ASN 14 Cb 0.18 -0.27 -0.09 0.00 0.27 0.00 0.00 38.32 38.42 2bkc h ASN 14 CO -0.18 1.02 0.47 -0.74 -0.37 0.00 0.00 177.43 177.64 2bkc h HIS 15 N 0.93 0.84 0.00 0.67 2.76 -0.76 -2.15 115.15 117.44 2bkc h HIS 15 Ca 0.18 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.26 2bkc h HIS 15 Cb 0.48 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2bkc h HIS 15 CO 0.04 0.26 -0.57 1.96 -1.30 0.00 0.00 177.93 178.32 2bkc h GLN 16 N 0.72 0.00 -0.41 5.26 1.08 -0.77 -0.97 115.11 120.01 2bkc h GLN 16 Ca 0.45 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.67 2bkc h GLN 16 Cb 0.55 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 2bkc h GLN 16 CO -0.31 0.57 0.23 0.28 -0.95 0.00 0.00 178.83 178.64 2bkc h VAL 17 N 0.00 1.02 0.27 -0.54 2.07 -0.57 -0.37 116.25 118.12 2bkc h VAL 17 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2bkc h VAL 17 Cb 1.18 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2bkc h VAL 17 CO 0.07 0.08 -0.13 0.00 0.02 0.00 0.00 177.57 177.62 2bkc h ALA 18 N 1.20 -0.37 -0.87 1.67 0.00 -0.96 -2.84 119.26 117.09 2bkc h ALA 18 Ca 0.17 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2bkc h ALA 18 Cb 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2bkc h ALA 18 CO -0.09 -0.70 0.47 -0.91 0.00 0.00 0.00 179.25 178.02 2bkc h ASN 19 N -0.38 0.58 0.37 0.00 2.35 -1.04 -2.58 115.58 114.88 2bkc h ASN 19 Ca -0.04 0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.59 2bkc h ASN 19 Cb 0.29 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2bkc h ASN 19 CO 0.06 0.25 -0.88 -0.07 -1.65 0.00 0.00 177.43 175.14 2bkc h LEU 20 N 0.67 0.46 -0.90 1.61 4.07 -1.04 0.07 115.31 120.25 2bkc h LEU 20 Ca 0.47 -0.36 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 2bkc h LEU 20 Cb 0.65 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2bkc h LEU 20 CO -0.35 1.14 -0.28 0.78 -1.08 0.00 0.00 178.44 178.65 2bkc h ASN 21 N 0.21 0.48 -0.27 -0.43 2.35 -1.35 -0.51 115.58 116.06 2bkc h ASN 21 Ca -0.06 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.40 2bkc h ASN 21 Cb 1.50 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.74 2bkc h ASN 21 CO 0.15 0.75 -0.28 0.58 -1.65 0.00 0.00 177.43 176.98 2bkc h VAL 22 N 0.41 1.31 -0.55 2.81 2.07 -1.21 -3.09 116.25 118.00 2bkc h VAL 22 Ca 0.06 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 2bkc h VAL 22 Cb 0.71 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2bkc h VAL 22 CO 0.05 0.46 0.26 0.15 0.02 0.00 0.00 177.57 178.52 2bkc h PHE 23 N 0.39 0.78 -0.19 1.57 3.57 -0.77 -1.51 116.94 120.79 2bkc h PHE 23 Ca 0.04 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2bkc h PHE 23 Cb 0.84 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2bkc h PHE 23 CO 0.07 0.61 -0.00 1.15 -2.23 0.00 0.00 178.31 177.91 2bkc h THR 24 N 0.73 0.86 -0.20 4.41 2.02 -1.17 0.36 112.91 119.93 2bkc h THR 24 Ca 0.19 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 2bkc h THR 24 Cb 0.11 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2bkc h THR 24 CO -0.02 0.01 -0.12 0.58 0.37 0.00 0.00 175.52 176.33 2bkc h VAL 25 N 0.06 1.19 -0.50 3.16 2.07 -1.40 -1.87 116.25 118.95 2bkc h VAL 25 Ca 0.09 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2bkc h VAL 25 Cb 0.11 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2bkc h VAL 25 CO -0.16 0.27 -0.02 0.50 0.02 0.00 0.00 177.57 178.18 2bkc h LYS 26 N 0.30 0.86 -0.76 1.57 3.64 -0.59 -0.61 116.57 120.99 2bkc h LYS 26 Ca 0.06 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2bkc h LYS 26 Cb 0.41 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2bkc h LYS 26 CO 0.02 0.88 0.45 0.82 -2.27 0.00 0.00 179.45 179.35 2bkc h ILE 27 N 0.80 1.22 -0.41 2.00 2.04 -0.16 -1.26 117.51 121.73 2bkc h ILE 27 Ca 0.15 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2bkc h ILE 27 Cb 0.51 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2bkc h ILE 27 CO 0.03 0.23 0.27 0.45 0.00 0.00 0.00 178.15 179.12 2bkc h HIS 28 N 1.04 0.51 -0.93 1.37 3.86 -1.22 -2.07 115.15 117.71 2bkc h HIS 28 Ca 0.27 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.58 2bkc h HIS 28 Cb -0.02 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.20 2bkc h HIS 28 CO -0.01 0.31 0.58 0.37 0.86 0.00 0.00 177.93 180.05 2bkc h GLN 29 N 0.54 0.98 -0.50 2.45 4.15 -0.45 -1.33 115.11 120.95 2bkc h GLN 29 Ca 0.15 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 2bkc h GLN 29 Cb -0.05 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.40 2bkc h GLN 29 CO -0.04 0.65 -0.13 0.82 -1.93 0.00 0.00 178.83 178.20 2bkc h ILE 30 N 1.00 1.27 -0.43 2.39 2.04 -1.07 -2.63 117.51 120.08 2bkc h ILE 30 Ca 0.43 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 2bkc h ILE 30 Cb 0.28 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2bkc h ILE 30 CO -0.21 0.44 -0.19 -0.74 0.00 0.00 0.00 178.15 177.45 2bkc h HIS 31 N 0.84 0.94 0.03 1.37 2.76 -0.67 -2.34 115.15 118.08 2bkc h HIS 31 Ca 0.13 -0.21 -0.23 0.00 -2.20 0.00 0.00 60.37 57.86 2bkc h HIS 31 Cb 0.68 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2bkc h HIS 31 CO 0.04 0.95 -1.00 -1.49 -1.30 0.00 0.00 177.93 175.13 2bkc h TRP 32 N 0.73 0.54 0.00 5.26 6.55 -1.19 -3.34 115.95 124.50 2bkc h TRP 32 Ca 0.11 -0.31 0.00 0.00 0.95 0.00 0.00 58.89 59.63 2bkc h TRP 32 Cb 0.71 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 2bkc h TRP 32 CO 0.04 1.15 -1.01 0.66 -1.05 0.00 0.00 178.44 178.23 2bkc n TYR 33 N -3.68 0.00 -2.04 0.49 4.02 -1.00 -5.01 117.16 109.94 2bkc n TYR 33 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.45 2bkc n TYR 33 Cb 0.87 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.19 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 -2.98 3.43 0.09 -0.72 0.23 -0.88 -4.99 119.30 113.47 2bkc s MET 34 Ca 0.07 1.96 -0.01 0.00 -1.03 0.00 0.00 55.69 56.69 2bkc s MET 34 Cb 0.16 -2.29 -0.04 0.00 -1.53 0.00 0.00 34.83 31.12 2bkc s MET 34 CO 0.85 -0.88 0.00 1.03 -2.03 0.00 0.00 175.02 174.00 2bkc s ARG 35 N -2.85 0.75 0.00 3.16 0.52 -1.26 -4.99 118.95 114.28 2bkc s ARG 35 Ca 0.68 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2bkc s ARG 35 Cb -0.33 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.33 2bkc s ARG 35 CO 0.40 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2bkc n GLY 36 N 0.02 1.66 0.34 -3.53 0.00 -1.26 -4.37 105.19 98.04 2bkc n GLY 36 Ca -0.10 -2.13 0.17 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.60 1.61 3.86 -2.06 -0.08 115.15 117.89 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 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 2bkc n ASN 38 N -2.96 4.12 -0.20 2.45 4.13 -1.26 -4.63 115.26 116.92 2bkc n ASN 38 Ca -0.02 -2.31 0.00 0.00 1.68 0.00 0.00 54.58 53.93 2bkc n ASN 38 Cb 0.31 -0.52 0.09 0.00 -1.54 0.00 0.00 39.78 38.12 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 3.69 -0.07 -0.07 3.10 3.57 -1.30 -0.33 116.94 125.52 2bkc h PHE 39 Ca 0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2bkc h PHE 39 Cb 1.23 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2bkc h PHE 39 CO 0.64 -0.17 -0.13 0.74 -2.23 0.00 0.00 178.31 177.15 2bkc h PHE 40 N 0.10 0.27 -0.33 0.41 -1.00 -1.85 -0.83 116.94 113.72 2bkc h PHE 40 Ca 0.31 -0.10 -0.17 0.00 2.81 0.00 0.00 57.97 60.82 2bkc h PHE 40 Cb 0.50 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 2bkc h PHE 40 CO -0.38 0.73 -0.48 0.00 -1.61 0.00 0.00 178.31 176.57 2bkc h THR 41 N -0.26 1.27 -0.05 -1.55 1.03 -1.86 -2.46 112.91 109.04 2bkc h THR 41 Ca 0.00 -1.66 -0.18 0.00 -0.01 0.00 0.00 66.41 64.56 2bkc h THR 41 Cb 0.71 1.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2bkc h THR 41 CO 0.03 0.55 -0.76 -0.07 -0.01 0.00 0.00 175.52 175.26 2bkc h LEU 42 N 0.71 0.37 -0.46 0.00 -0.00 -1.15 -2.50 115.31 112.29 2bkc h LEU 42 Ca 0.03 -0.26 0.02 0.00 -0.00 0.00 0.00 57.88 57.68 2bkc h LEU 42 Cb 1.08 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 2bkc h LEU 42 CO 0.11 1.00 0.27 1.23 -0.00 0.00 0.00 178.44 181.05 2bkc h GLY 43 N 1.48 0.64 0.96 0.83 0.00 -1.12 0.17 103.07 106.04 2bkc h GLY 43 Ca -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2bkc h GLY 43 CO 0.12 0.17 0.11 0.83 0.00 0.00 0.00 176.54 177.77 2bkc h GLU 44 N 0.54 0.75 -0.82 4.80 5.08 -1.42 -2.48 114.58 121.04 2bkc h GLU 44 Ca 0.19 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2bkc h GLU 44 Cb 0.03 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2bkc h GLU 44 CO -0.09 0.74 0.53 -0.22 -1.00 0.00 0.00 179.01 178.97 2bkc h LYS 45 N 0.63 0.75 -0.01 2.33 1.63 -0.95 -1.19 116.57 119.76 2bkc h LYS 45 Ca 0.15 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.77 2bkc h LYS 45 Cb 0.34 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2bkc h LYS 45 CO 0.00 0.50 -0.61 0.52 -3.45 0.00 0.00 179.45 176.41 2bkc h MET 46 N 0.78 0.03 -0.46 1.90 2.86 -0.41 -2.15 114.93 117.48 2bkc h MET 46 Ca 0.37 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 2bkc h MET 46 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2bkc h MET 46 CO -0.15 0.62 0.12 -0.44 1.06 0.00 0.00 176.91 178.13 2bkc h ASP 47 N 0.02 0.69 -0.41 1.22 3.32 -0.79 -0.43 116.42 120.05 2bkc h ASP 47 Ca -0.01 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 2bkc h ASP 47 Cb 1.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2bkc h ASP 47 CO 0.08 0.74 -0.11 0.44 -1.72 0.00 0.00 179.24 178.67 2bkc h ASP 48 N 0.61 0.86 -0.07 6.45 3.32 -1.28 -2.09 116.42 124.23 2bkc h ASP 48 Ca 0.14 -0.27 -0.21 0.00 0.02 0.00 0.00 57.03 56.71 2bkc h ASP 48 Cb 0.31 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.64 2bkc h ASP 48 CO 0.00 0.99 -0.76 0.25 -1.72 0.00 0.00 179.24 178.00 2bkc h LEU 49 N 0.78 0.85 0.18 1.55 5.85 -1.24 -0.92 115.31 122.35 2bkc h LEU 49 Ca 0.13 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2bkc h LEU 49 Cb 0.63 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2bkc h LEU 49 CO 0.04 1.34 -0.30 0.22 -0.34 0.00 0.00 178.44 179.41 2bkc h TYR 50 N 0.49 -0.80 -0.28 1.25 5.03 -0.94 0.42 116.97 122.14 2bkc h TYR 50 Ca -0.05 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.31 2bkc h TYR 50 Cb 1.38 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 39.96 2bkc h TYR 50 CO 0.08 -0.41 0.09 0.77 -1.32 0.00 0.00 178.16 177.37 2bkc h SER 51 N -0.56 0.10 -0.29 -2.11 0.02 -1.32 -2.19 113.55 107.21 2bkc h SER 51 Ca 0.01 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2bkc h SER 51 Cb 0.55 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2bkc h SER 51 CO -0.13 0.09 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.51 2bkc h GLU 52 N 0.22 0.66 0.00 3.45 4.81 -0.88 -0.03 114.58 122.81 2bkc h GLU 52 Ca 0.12 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2bkc h GLU 52 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2bkc h GLU 52 CO -0.13 0.72 -0.80 0.74 -0.73 0.00 0.00 179.01 178.81 2bkc h PHE 53 N 0.62 0.00 -0.62 0.92 -1.00 -0.92 -2.38 116.94 113.57 2bkc h PHE 53 Ca 0.12 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 2bkc h PHE 53 Cb 0.47 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.00 2bkc h PHE 53 CO 0.02 0.71 0.34 0.78 -1.61 0.00 0.00 178.31 178.55 2bkc h GLY 54 N 3.33 0.91 0.81 -1.45 0.00 -1.15 -1.47 103.07 104.07 2bkc h GLY 54 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.91 2bkc h GLY 54 CO 0.09 0.39 -0.07 -2.09 0.00 0.00 0.00 176.54 174.86 2bkc h GLU 55 N 0.84 -0.12 -0.99 4.80 4.22 -0.95 -2.26 114.58 120.13 2bkc h GLU 55 Ca 0.22 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.79 2bkc h GLU 55 Cb 0.03 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 2bkc h GLU 55 CO -0.04 -0.08 0.63 0.37 -2.18 0.00 0.00 179.01 177.71 2bkc h GLN 56 N -0.12 0.94 -0.19 1.92 4.15 -1.36 -0.55 115.11 119.90 2bkc h GLN 56 Ca 0.03 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2bkc h GLN 56 Cb 0.16 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2bkc h GLN 56 CO -0.08 0.62 0.03 1.98 -1.93 0.00 0.00 178.83 179.45 2bkc h MET 57 N 0.96 0.32 -0.77 1.69 4.05 -0.94 -0.92 114.93 119.32 2bkc h MET 57 Ca 0.49 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.86 2bkc h MET 57 Cb 0.51 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 2bkc h MET 57 CO -0.26 0.48 0.48 -0.44 0.23 0.00 0.00 176.91 177.40 2bkc h ASP 58 N 0.11 0.78 0.06 1.39 3.32 -0.88 0.22 116.42 121.42 2bkc h ASP 58 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 2bkc h ASP 58 Cb 0.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2bkc h ASP 58 CO 0.00 0.53 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.41 2bkc h GLU 59 N 0.92 0.38 -0.41 3.56 5.08 -0.90 -0.30 114.58 122.92 2bkc h GLU 59 Ca 0.31 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2bkc h GLU 59 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2bkc h GLU 59 CO -0.13 0.66 0.01 0.28 -1.00 0.00 0.00 179.01 178.83 2bkc h VAL 60 N 0.33 1.26 -0.73 3.13 2.07 -0.77 -1.70 116.25 119.84 2bkc h VAL 60 Ca 0.04 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 2bkc h VAL 60 Cb 0.72 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2bkc h VAL 60 CO 0.06 0.34 0.22 0.00 0.02 0.00 0.00 177.57 178.21 2bkc h ALA 61 N 0.89 1.01 -0.13 1.67 0.00 -0.61 -1.41 119.26 120.68 2bkc h ALA 61 Ca 0.12 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2bkc h ALA 61 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 61 CO 0.02 0.66 -0.73 0.93 0.00 0.00 0.00 179.25 180.13 2bkc h GLU 62 N 1.09 0.60 -0.44 0.00 5.08 -1.03 -1.67 114.58 118.22 2bkc h GLU 62 Ca 0.24 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 2bkc h GLU 62 Cb 0.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2bkc h GLU 62 CO -0.01 1.10 0.02 -0.09 -1.00 0.00 0.00 179.01 179.03 2bkc h ARG 63 N 0.42 0.76 -0.72 2.33 9.65 -1.10 0.64 114.38 126.36 2bkc h ARG 63 Ca -0.03 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 58.65 2bkc h ARG 63 Cb 1.32 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.78 2bkc h ARG 63 CO 0.14 0.82 0.44 1.25 2.80 0.00 0.00 179.97 185.42 2bkc h LEU 64 N 0.60 0.71 -0.40 3.80 5.85 -1.19 -1.73 115.31 122.96 2bkc h LEU 64 Ca 0.13 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2bkc h LEU 64 Cb 0.46 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2bkc h LEU 64 CO 0.02 0.48 0.12 -0.07 -0.34 0.00 0.00 178.44 178.65 2bkc h LEU 65 N 0.85 0.58 -2.11 2.25 -0.00 -1.02 0.41 115.31 116.27 2bkc h LEU 65 Ca 0.30 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2bkc h LEU 65 Cb 0.07 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2bkc h LEU 65 CO -0.13 0.63 -0.00 0.00 -0.00 0.00 0.00 178.44 178.94 2bkc h ALA 66 N 0.97 1.88 -0.61 1.53 0.00 -0.32 -2.50 119.26 120.21 2bkc h ALA 66 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bkc h ALA 66 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bkc h ALA 66 CO -0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2bkc n ILE 67 N -4.37 1.26 -0.03 0.00 -5.35 -0.70 -4.94 119.36 105.23 2bkc n ILE 67 Ca -0.03 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.49 2bkc n ILE 67 Cb 0.09 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 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 1.28 0.91 2.91 3.28 0.00 -0.94 -5.07 105.19 107.56 2bkc n GLY 68 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.03 -0.01 2.60 -0.02 0.00 0.11 -5.00 105.19 100.84 2bkc n GLY 69 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 -4.25 3.58 0.64 1.61 0.01 -1.26 -4.39 113.70 109.64 2bkc s SER 70 Ca 0.52 -1.69 -0.17 0.00 1.31 0.00 0.00 55.95 55.92 2bkc s SER 70 Cb -0.02 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2bkc s SER 70 CO 0.35 -0.39 1.17 -2.16 0.41 0.00 0.00 173.24 172.62 2bkc s PRO 71 N 1.60 2.75 0.50 12.44 0.04 -1.26 -4.97 135.00 146.10 2bkc s PRO 71 Ca 0.12 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 2bkc s PRO 71 Cb -0.19 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2bkc s PRO 71 CO -0.23 -1.34 1.34 -0.06 0.04 0.00 0.00 177.00 176.75 2bkc s PHE 72 N -1.94 2.46 0.00 0.56 2.99 -1.26 -4.95 117.98 115.84 2bkc s PHE 72 Ca 0.73 1.38 0.14 0.00 0.00 0.00 0.00 56.93 59.18 2bkc s PHE 72 Cb -0.26 -3.75 0.23 0.00 0.00 0.00 0.00 43.02 39.24 2bkc s PHE 72 CO 0.38 -2.63 1.06 -1.13 -0.00 0.00 0.00 175.22 172.90 2bkc n SER 73 N -0.64 0.39 -3.96 1.36 3.41 -1.26 -4.97 113.62 107.94 2bkc n SER 73 Ca 0.08 -1.93 -0.09 0.00 -0.26 0.00 0.00 58.87 56.67 2bkc n SER 73 Cb 0.45 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.12 0.23 6.66 -4.23 -1.26 -5.05 115.64 112.12 2bkc s THR 74 Ca 0.18 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2bkc s THR 74 Cb 0.21 -0.59 0.20 0.00 1.34 0.00 0.00 72.50 73.66 2bkc s THR 74 CO -0.09 -0.56 1.87 -0.07 -0.54 0.00 0.00 174.62 175.23 2bkc h LEU 75 N 4.17 0.88 0.04 4.79 4.07 -1.99 -1.03 115.31 126.25 2bkc h LEU 75 Ca -0.32 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.66 2bkc h LEU 75 Cb 1.19 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 2bkc h LEU 75 CO 0.46 0.60 -0.23 0.50 -1.08 0.00 0.00 178.44 178.69 2bkc h LYS 76 N 1.03 -0.37 -0.79 1.13 3.64 -1.99 -0.69 116.57 118.53 2bkc h LYS 76 Ca 0.34 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 2bkc h LYS 76 Cb 0.03 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 2bkc h LYS 76 CO -0.12 -0.25 0.52 0.93 -2.27 0.00 0.00 179.45 178.26 2bkc h GLU 77 N -0.38 0.84 -0.52 1.90 5.08 -1.88 -1.90 114.58 117.72 2bkc h GLU 77 Ca 0.05 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2bkc h GLU 77 Cb 0.44 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2bkc h GLU 77 CO -0.18 0.56 -0.14 0.74 -1.00 0.00 0.00 179.01 178.98 2bkc h PHE 78 N 0.87 1.14 -0.29 4.33 0.05 -0.56 -2.79 116.94 119.68 2bkc h PHE 78 Ca 0.34 -0.25 -0.08 0.00 3.82 0.00 0.00 57.97 61.79 2bkc h PHE 78 Cb 0.21 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 37.88 2bkc h PHE 78 CO -0.00 1.07 -0.13 -0.07 -0.18 0.00 0.00 178.31 179.00 2bkc h LEU 79 N 0.88 0.62 -1.70 1.54 3.38 -0.70 -1.07 115.31 118.26 2bkc h LEU 79 Ca 0.13 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2bkc h LEU 79 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2bkc h LEU 79 CO 0.05 0.89 -0.18 -0.33 0.09 0.00 0.00 178.44 178.97 2bkc h GLU 80 N 0.36 0.00 0.00 1.13 5.08 -1.35 -3.32 114.58 116.47 2bkc h GLU 80 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 80 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2bkc h GLU 80 CO 0.04 0.18 -1.05 0.09 -1.00 0.00 0.00 179.01 177.27 2bkc n ASN 81 N -3.79 1.60 -4.76 1.42 4.13 -1.06 -5.03 115.26 107.78 2bkc n ASN 81 Ca -0.02 -0.34 -0.40 0.00 1.68 0.00 0.00 54.58 55.50 2bkc n ASN 81 Cb 0.28 1.27 -0.04 0.00 -1.54 0.00 0.00 39.78 39.76 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 -2.42 3.42 -0.36 5.41 0.00 -0.42 -4.88 121.76 122.51 2bkc s ALA 82 Ca -0.00 0.94 0.23 0.00 0.00 0.00 0.00 51.96 53.13 2bkc s ALA 82 Cb 0.07 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2bkc s ALA 82 CO 0.45 -0.22 1.01 -1.13 0.00 0.00 0.00 175.76 175.86 2bkc n SER 83 N 1.17 0.67 -4.76 0.00 3.41 -1.26 -4.91 113.62 107.93 2bkc n SER 83 Ca -0.01 0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.33 2bkc n SER 83 Cb 0.44 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 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 -3.32 3.02 0.05 -3.33 1.01 -1.26 -5.02 120.40 111.55 2bkc s VAL 84 Ca 0.01 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2bkc s VAL 84 Cb 0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2bkc s VAL 84 CO 0.80 0.23 0.18 -1.61 0.00 0.00 0.00 175.10 174.70 2bkc s GLU 85 N -1.55 3.33 0.10 2.72 2.02 -1.26 -5.01 118.70 119.05 2bkc s GLU 85 Ca 0.48 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.05 2bkc s GLU 85 Cb -0.37 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 2bkc s GLU 85 CO 0.48 0.62 -0.11 -1.83 0.02 0.00 0.00 175.26 174.44 2bkc s GLU 86 N -2.35 0.88 -0.04 1.61 -1.05 -1.26 -5.01 118.70 111.48 2bkc s GLU 86 Ca 0.32 -1.18 -0.14 0.00 -0.15 0.00 0.00 54.97 53.82 2bkc s GLU 86 Cb -0.13 -0.59 0.02 0.00 -0.44 0.00 0.00 34.13 32.99 2bkc s GLU 86 CO 0.25 0.10 0.31 0.00 0.95 0.00 0.00 175.26 176.87 2bkc s ALA 87 N -2.42 -0.79 0.53 -0.84 0.00 -1.26 -5.14 121.76 111.84 2bkc s ALA 87 Ca 0.06 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 2bkc s ALA 87 Cb -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2bkc s ALA 87 CO 0.01 -0.24 1.32 -1.25 0.00 0.00 0.00 175.76 175.60 2bkc s PRO 88 N -1.04 3.27 -0.32 0.00 0.04 -1.26 -4.92 135.00 130.77 2bkc s PRO 88 Ca -0.11 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2bkc s PRO 88 Cb -0.05 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2bkc s PRO 88 CO 0.03 -1.06 1.02 -0.47 0.04 0.00 0.00 177.00 176.57 2bkc s TYR 89 N -1.35 3.16 0.04 0.56 5.04 -1.26 -4.84 117.35 118.70 2bkc s TYR 89 Ca 0.70 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 2bkc s TYR 89 Cb -0.38 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.31 2bkc s TYR 89 CO 0.45 -0.74 0.00 0.25 -1.34 0.00 0.00 175.55 174.18 2bkc n THR 90 N 5.82 0.18 -2.13 4.34 -2.24 -1.26 -5.06 114.28 113.94 2bkc n THR 90 Ca 0.11 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 2bkc n THR 90 Cb 0.47 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.23 4.32 0.22 -0.78 -0.14 -1.26 -4.96 119.74 115.91 2bkc s LYS 91 Ca 0.00 2.15 -0.31 0.00 -1.36 0.00 0.00 55.97 56.45 2bkc s LYS 91 Cb 0.00 -3.19 -0.15 0.00 -1.68 0.00 0.00 37.83 32.82 2bkc s LYS 91 CO 0.00 -0.38 1.18 -2.30 -0.76 0.00 0.00 175.35 173.09 2bkc n PRO 92 N 3.12 1.42 -4.55 -1.68 -0.02 -1.26 -5.00 135.00 127.03 2bkc n PRO 92 Ca 0.09 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 2bkc n PRO 92 Cb 0.42 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.70 1.40 0.57 -0.52 -0.14 -1.26 -5.14 119.74 113.94 2bkc s LYS 93 Ca 0.68 -1.11 -0.14 0.00 -1.36 0.00 0.00 55.97 54.04 2bkc s LYS 93 Cb -0.76 -1.64 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 2bkc s LYS 93 CO 0.54 0.40 1.01 0.99 -0.76 0.00 0.00 175.35 177.53 2bkc s THR 94 N -0.95 4.63 0.17 2.17 2.01 -1.26 -4.82 115.64 117.59 2bkc s THR 94 Ca 0.09 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.98 2bkc s THR 94 Cb -0.10 -3.80 0.08 0.00 0.01 0.00 0.00 72.50 68.70 2bkc s THR 94 CO 0.03 -0.93 1.71 -0.03 -0.69 0.00 0.00 174.62 174.71 2bkc h MET 95 N 0.27 0.17 -0.46 4.92 4.05 -1.99 -1.73 114.93 120.16 2bkc h MET 95 Ca -0.45 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.03 2bkc h MET 95 Cb 1.19 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.89 2bkc h MET 95 CO 0.62 0.11 0.11 -0.44 0.23 0.00 0.00 176.91 177.54 2bkc h ASP 96 N 0.17 0.06 -0.87 1.39 5.19 -1.95 -1.87 116.42 118.54 2bkc h ASP 96 Ca 0.21 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2bkc h ASP 96 Cb 0.29 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2bkc h ASP 96 CO -0.31 0.06 0.53 1.56 -3.12 0.00 0.00 179.24 177.96 2bkc h GLN 97 N 0.26 1.17 -0.68 3.56 4.20 -1.79 -0.53 115.11 121.31 2bkc h GLN 97 Ca 0.22 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 2bkc h GLN 97 Cb 0.27 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2bkc h GLN 97 CO -0.27 0.82 0.14 -0.07 -0.67 0.00 0.00 178.83 178.78 2bkc h LEU 98 N 1.19 1.04 -0.78 1.46 3.38 -1.12 -2.70 115.31 117.78 2bkc h LEU 98 Ca 0.31 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2bkc h LEU 98 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2bkc h LEU 98 CO -0.06 1.01 -0.34 0.24 0.09 0.00 0.00 178.44 179.38 2bkc h MET 99 N 1.03 0.00 -0.23 1.13 2.86 -0.70 -2.28 114.93 116.74 2bkc h MET 99 Ca 0.21 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 2bkc h MET 99 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2bkc h MET 99 CO 0.01 0.34 -0.47 0.93 1.06 0.00 0.00 176.91 178.78 2bkc h GLU 100 N 0.00 0.60 -0.33 1.72 5.08 -0.90 -0.60 114.58 120.15 2bkc h GLU 100 Ca -0.00 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 2bkc h GLU 100 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2bkc h GLU 100 CO 0.04 0.95 -0.28 0.22 -1.00 0.00 0.00 179.01 178.94 2bkc h ASP 101 N 0.48 0.70 0.42 1.42 3.58 -1.31 -0.03 116.42 121.68 2bkc h ASP 101 Ca 0.03 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2bkc h ASP 101 Cb 1.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2bkc h ASP 101 CO 0.09 0.94 -0.20 0.25 -2.88 0.00 0.00 179.24 177.44 2bkc h LEU 102 N 0.59 -0.48 -1.44 2.28 6.46 -1.09 -1.88 115.31 119.74 2bkc h LEU 102 Ca 0.07 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2bkc h LEU 102 Cb 0.77 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 2bkc h LEU 102 CO 0.06 -0.18 0.38 0.58 -0.62 0.00 0.00 178.44 178.66 2bkc h VAL 103 N -0.79 1.14 -0.70 1.05 2.07 -1.06 0.20 116.25 118.16 2bkc h VAL 103 Ca -0.06 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2bkc h VAL 103 Cb 0.54 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2bkc h VAL 103 CO 0.10 0.14 0.15 1.23 0.02 0.00 0.00 177.57 179.21 2bkc h GLY 104 N 0.77 1.22 1.70 2.17 0.00 -0.92 -1.88 103.07 106.12 2bkc h GLY 104 Ca 0.21 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 2bkc h GLY 104 CO -0.05 0.73 -0.71 -0.84 0.00 0.00 0.00 176.54 175.67 2bkc h THR 105 N 1.07 1.41 -0.57 4.70 2.02 -0.30 -2.35 112.91 118.88 2bkc h THR 105 Ca 0.22 -2.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.16 2bkc h THR 105 Cb 0.40 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 2bkc h THR 105 CO 0.01 0.65 0.11 -0.07 0.37 0.00 0.00 175.52 176.58 2bkc h LEU 106 N 0.20 0.85 -0.33 2.58 3.38 -0.88 -2.55 115.31 118.57 2bkc h LEU 106 Ca -0.02 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 2bkc h LEU 106 Cb 1.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2bkc h LEU 106 CO 0.11 0.85 -0.56 -0.33 0.09 0.00 0.00 178.44 178.60 2bkc h GLU 107 N 0.86 0.82 -0.71 1.13 5.08 -1.19 -1.04 114.58 119.53 2bkc h GLU 107 Ca 0.18 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2bkc h GLU 107 Cb 0.35 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2bkc h GLU 107 CO 0.00 1.16 0.47 1.25 -1.00 0.00 0.00 179.01 180.90 2bkc h LEU 108 N 0.62 0.82 0.07 1.33 6.46 -1.32 -1.76 115.31 121.53 2bkc h LEU 108 Ca 0.01 -0.02 -0.21 0.00 -0.12 0.00 0.00 57.88 57.53 2bkc h LEU 108 Cb 1.16 -0.20 0.02 0.00 -0.73 0.00 0.00 40.66 40.91 2bkc h LEU 108 CO 0.12 0.59 -0.88 -0.07 -0.62 0.00 0.00 178.44 177.58 2bkc h LEU 109 N 0.96 0.65 -0.59 2.25 3.38 -1.10 -1.76 115.31 119.10 2bkc h LEU 109 Ca 0.26 -0.83 0.12 0.00 0.09 0.00 0.00 57.88 57.53 2bkc h LEU 109 Cb -0.10 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.34 2bkc h LEU 109 CO -0.06 1.41 -0.07 -0.09 0.09 0.00 0.00 178.44 179.71 2bkc h ARG 110 N -0.02 0.05 -0.07 1.13 2.43 -1.08 0.26 114.38 117.08 2bkc h ARG 110 Ca -0.13 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.81 2bkc h ARG 110 Cb 1.61 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.15 2bkc h ARG 110 CO 0.17 0.03 -0.87 -0.44 -1.51 0.00 0.00 179.97 177.35 2bkc h ASP 111 N 0.05 0.77 -0.53 -3.80 3.32 -1.30 -1.42 116.42 113.51 2bkc h ASP 111 Ca 0.30 -0.55 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 2bkc h ASP 111 Cb 0.47 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2bkc h ASP 111 CO -0.56 1.34 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.91 2bkc h GLU 112 N 0.39 1.00 -0.16 3.56 5.08 -1.17 -2.82 114.58 120.46 2bkc h GLU 112 Ca -0.07 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 2bkc h GLU 112 Cb 1.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2bkc h GLU 112 CO 0.17 1.02 -0.15 1.88 -1.00 0.00 0.00 179.01 180.92 2bkc h TYR 113 N 0.90 0.27 -0.43 4.33 -1.99 -0.30 -1.36 116.97 118.39 2bkc h TYR 113 Ca 0.15 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.87 2bkc h TYR 113 Cb 0.61 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 2bkc h TYR 113 CO 0.04 0.41 0.25 -0.22 -0.00 0.00 0.00 178.16 178.64 2bkc h LYS 114 N 0.24 0.49 -0.25 4.88 1.63 -1.03 0.12 116.57 122.65 2bkc h LYS 114 Ca 0.05 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2bkc h LYS 114 Cb 0.42 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2bkc h LYS 114 CO 0.03 0.33 0.11 1.96 -3.45 0.00 0.00 179.45 178.42 2bkc h GLN 115 N 0.51 0.24 -0.50 1.90 4.20 -1.08 -2.04 115.11 118.34 2bkc h GLN 115 Ca 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2bkc h GLN 115 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2bkc h GLN 115 CO -0.08 0.16 0.22 0.78 -0.67 0.00 0.00 178.83 179.23 2bkc h GLY 116 N 0.24 0.76 0.92 3.46 0.00 -0.93 -1.08 103.07 106.44 2bkc h GLY 116 Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bkc h GLY 116 CO -0.09 0.34 0.09 -2.22 0.00 0.00 0.00 176.54 174.67 2bkc h ILE 117 N 0.71 1.14 -0.44 2.60 2.04 -0.40 -1.35 117.51 121.81 2bkc h ILE 117 Ca 0.17 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2bkc h ILE 117 Cb 0.11 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2bkc h ILE 117 CO -0.02 0.13 -0.01 -0.33 0.00 0.00 0.00 178.15 177.93 2bkc h GLU 118 N 0.19 0.72 -0.25 2.37 5.08 -1.14 -1.71 114.58 119.84 2bkc h GLU 118 Ca 0.07 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2bkc h GLU 118 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2bkc h GLU 118 CO -0.01 0.74 -0.12 1.25 -1.00 0.00 0.00 179.01 179.88 2bkc h LEU 119 N 0.68 0.54 -0.62 1.33 5.85 -1.11 -2.15 115.31 119.84 2bkc h LEU 119 Ca 0.13 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 2bkc h LEU 119 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2bkc h LEU 119 CO 0.02 0.83 -0.33 0.00 -0.34 0.00 0.00 178.44 178.61 2bkc h THR 120 N 0.26 0.68 0.00 1.05 1.03 -1.23 -1.87 112.91 112.82 2bkc h THR 120 Ca 0.06 -1.56 -0.00 0.00 -0.01 0.00 0.00 66.41 64.89 2bkc h THR 120 Cb 0.62 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 2bkc h THR 120 CO 0.04 0.33 -0.00 -0.78 -0.01 0.00 0.00 175.52 175.09 2bkc h ASP 121 N 0.00 -0.00 0.02 0.00 -0.00 -1.20 -1.70 116.42 113.54 2bkc h ASP 121 Ca -0.00 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.03 56.76 2bkc h ASP 121 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.33 2bkc h ASP 121 CO 0.04 0.20 -0.20 0.11 -0.00 0.00 0.00 179.24 179.39 2bkc h LYS 122 N -0.20 0.33 -0.00 0.28 1.79 -1.20 -2.52 116.57 115.04 2bkc h LYS 122 Ca -0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2bkc h LYS 122 Cb 0.20 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2bkc h LYS 122 CO 0.00 0.53 -0.07 0.39 -1.08 0.00 0.00 179.45 179.21 2bkc n GLU 123 N -4.18 0.89 -1.73 3.15 1.02 -0.72 -4.97 120.64 114.09 2bkc n GLU 123 Ca -0.00 -0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 56.71 2bkc n GLU 123 Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 2bkc n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bkc n GLY 124 N 1.22 0.68 3.48 0.62 0.00 -0.95 -4.96 105.19 105.27 2bkc n GLY 124 Ca 0.17 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.69 6.71 0.16 1.61 3.68 -0.67 -4.86 116.67 120.61 2bkc s ASP 125 Ca 0.00 -2.15 -0.13 0.00 2.13 0.00 0.00 52.55 52.40 2bkc s ASP 125 Cb 0.00 -2.44 0.04 0.00 -1.45 0.00 0.00 42.92 39.07 2bkc s ASP 125 CO 0.00 -1.09 1.68 0.44 0.13 0.00 0.00 175.17 176.34 2bkc h ASP 126 N 8.60 0.78 -0.01 -0.34 3.32 -1.93 -1.70 116.42 125.13 2bkc h ASP 126 Ca 0.21 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2bkc h ASP 126 Cb 0.98 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2bkc h ASP 126 CO 1.21 0.78 0.01 0.58 -1.72 0.00 0.00 179.24 180.10 2bkc h VAL 127 N 0.73 1.05 -0.59 -1.35 2.07 -1.96 -1.62 116.25 114.58 2bkc h VAL 127 Ca 0.17 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2bkc h VAL 127 Cb 0.28 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2bkc h VAL 127 CO -0.01 0.04 0.25 0.74 0.02 0.00 0.00 177.57 178.61 2bkc h THR 128 N -0.04 1.22 -0.63 2.57 2.02 -1.96 -1.44 112.91 114.65 2bkc h THR 128 Ca 0.00 -0.68 0.13 0.00 0.77 0.00 0.00 66.41 66.64 2bkc h THR 128 Cb 0.06 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 66.93 2bkc h THR 128 CO -0.00 0.27 -0.02 -1.13 0.37 0.00 0.00 175.52 175.01 2bkc h ASN 129 N 0.81 -0.32 0.36 4.18 -0.73 -1.14 -1.68 115.58 117.06 2bkc h ASN 129 Ca 0.20 0.16 -0.17 0.00 1.87 0.00 0.00 56.30 58.36 2bkc h ASN 129 Cb 0.18 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 2bkc h ASN 129 CO -0.02 -0.13 -0.72 -0.78 -0.37 0.00 0.00 177.43 175.41 2bkc h ASP 130 N 0.10 0.36 0.00 1.15 3.58 -0.89 -1.86 116.42 118.86 2bkc h ASP 130 Ca 0.33 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2bkc h ASP 130 Cb 0.53 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2bkc h ASP 130 CO -0.55 0.96 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.74 2bkc h MET 131 N 0.21 -0.01 -0.97 0.28 4.05 -0.89 -2.41 114.93 115.19 2bkc h MET 131 Ca -0.03 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2bkc h MET 131 Cb 1.28 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.02 2bkc h MET 131 CO 0.12 0.07 0.63 -0.07 0.23 0.00 0.00 176.91 177.88 2bkc h LEU 132 N -0.08 1.01 -0.52 3.39 4.07 -1.19 -2.29 115.31 119.69 2bkc h LEU 132 Ca -0.00 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2bkc h LEU 132 Cb 0.08 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2bkc h LEU 132 CO 0.00 0.65 0.23 0.40 -1.08 0.00 0.00 178.44 178.65 2bkc h ILE 133 N 1.15 1.21 -0.58 1.22 2.04 -1.12 -2.35 117.51 119.09 2bkc h ILE 133 Ca 0.41 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2bkc h ILE 133 Cb 0.13 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2bkc h ILE 133 CO -0.16 0.24 0.35 0.00 0.00 0.00 0.00 178.15 178.57 2bkc h ALA 134 N 1.07 0.73 -0.61 1.87 0.00 -1.10 -1.47 119.26 119.76 2bkc h ALA 134 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2bkc h ALA 134 Cb 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2bkc h ALA 134 CO -0.02 0.22 0.29 0.74 0.00 0.00 0.00 179.25 180.47 2bkc h PHE 135 N 0.78 0.90 -0.29 0.00 0.05 -1.30 -2.83 116.94 114.25 2bkc h PHE 135 Ca 0.21 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.89 2bkc h PHE 135 Cb -0.02 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.64 2bkc h PHE 135 CO -0.02 0.69 -0.07 -0.22 -0.18 0.00 0.00 178.31 178.50 2bkc h LYS 136 N 0.85 0.47 -0.36 1.51 3.64 -1.11 0.04 116.57 121.60 2bkc h LYS 136 Ca 0.21 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2bkc h LYS 136 Cb 0.14 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bkc h LYS 136 CO -0.02 0.55 0.16 0.00 -2.27 0.00 0.00 179.45 177.86 2bkc h ALA 137 N 1.49 0.43 -0.45 5.00 0.00 -1.04 0.18 119.26 124.88 2bkc h ALA 137 Ca 0.09 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2bkc h ALA 137 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2bkc h ALA 137 CO 0.02 -0.22 -0.22 1.03 0.00 0.00 0.00 179.25 179.86 2bkc h SER 138 N 0.33 0.97 -0.90 0.00 0.87 -1.17 -2.76 113.55 110.89 2bkc h SER 138 Ca 0.16 -0.40 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2bkc h SER 138 Cb 0.10 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 2bkc h SER 138 CO -0.13 1.16 0.59 0.40 -0.53 0.00 0.00 176.83 178.32 2bkc h ILE 139 N 0.78 1.17 -0.57 2.23 2.04 -0.72 -2.06 117.51 120.39 2bkc h ILE 139 Ca 0.10 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2bkc h ILE 139 Cb 0.79 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2bkc h ILE 139 CO 0.07 0.21 0.09 0.44 0.00 0.00 0.00 178.15 178.96 2bkc h ASP 140 N 1.16 0.91 -0.60 1.72 3.32 -0.82 0.59 116.42 122.70 2bkc h ASP 140 Ca 0.35 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2bkc h ASP 140 Cb -0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2bkc h ASP 140 CO -0.11 0.94 0.15 0.50 -1.72 0.00 0.00 179.24 179.01 2bkc h LYS 141 N 0.84 0.96 -0.09 3.56 3.64 -1.24 -1.65 116.57 122.59 2bkc h LYS 141 Ca 0.17 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2bkc h LYS 141 Cb 0.42 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2bkc h LYS 141 CO 0.01 0.87 -0.57 0.45 -2.27 0.00 0.00 179.45 177.95 2bkc h HIS 142 N 0.87 0.35 -0.66 1.91 3.86 -0.99 -1.31 115.15 119.19 2bkc h HIS 142 Ca 0.19 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2bkc h HIS 142 Cb 0.34 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2bkc h HIS 142 CO 0.02 0.78 0.34 0.82 0.86 0.00 0.00 177.93 180.76 2bkc h ILE 143 N 0.21 1.21 0.64 2.45 2.04 -0.69 -0.31 117.51 123.06 2bkc h ILE 143 Ca -0.00 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2bkc h ILE 143 Cb 1.06 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2bkc h ILE 143 CO 0.09 0.24 -0.32 -0.25 0.00 0.00 0.00 178.15 177.91 2bkc h TRP 144 N 0.90 -0.82 -0.02 1.37 7.01 -1.00 -1.80 115.95 121.58 2bkc h TRP 144 Ca 0.23 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.22 2bkc h TRP 144 Cb 0.07 0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2bkc h TRP 144 CO -0.00 -0.51 -0.03 0.52 -2.79 0.00 0.00 178.44 175.63 2bkc h MET 145 N -0.87 -0.04 -0.34 2.65 2.86 -1.14 -0.60 114.93 117.44 2bkc h MET 145 Ca -0.09 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2bkc h MET 145 Cb 0.67 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2bkc h MET 145 CO 0.14 -0.03 -0.10 0.74 1.06 0.00 0.00 176.91 178.72 2bkc h PHE 146 N -0.04 0.62 -0.49 -0.22 -1.00 -1.11 -0.88 116.94 113.82 2bkc h PHE 146 Ca 0.02 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 2bkc h PHE 146 Cb 0.07 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 2bkc h PHE 146 CO -0.12 0.66 0.06 0.87 -1.61 0.00 0.00 178.31 178.18 2bkc h LYS 147 N 0.54 0.77 -0.46 1.51 1.79 -1.01 -1.50 116.57 118.22 2bkc h LYS 147 Ca 0.10 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 2bkc h LYS 147 Cb 0.49 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2bkc h LYS 147 CO 0.03 0.74 -0.22 0.00 -1.08 0.00 0.00 179.45 178.92 2bkc h ALA 148 N 1.33 0.64 -0.88 3.86 0.00 -0.58 0.18 119.26 123.82 2bkc h ALA 148 Ca 0.15 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.76 2bkc h ALA 148 Cb 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2bkc h ALA 148 CO 0.01 0.63 0.57 0.35 0.00 0.00 0.00 179.25 180.81 2bkc h PHE 149 N 0.80 0.96 0.00 0.00 3.57 -0.77 -2.29 116.94 119.20 2bkc h PHE 149 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2bkc h PHE 149 Cb 0.79 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2bkc h PHE 149 CO 0.05 0.46 0.00 1.28 -2.23 0.00 0.00 178.31 177.87 2bkc n LEU 150 N -4.52 0.00 0.00 0.59 4.77 -0.60 -4.90 117.00 112.34 2bkc n LEU 150 Ca 0.15 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2bkc n LEU 150 Cb 0.28 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2bkc n LEU 150 CO 0.32 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2bkc n GLY 151 N 1.22 1.33 2.98 -0.72 0.00 -0.77 -5.07 105.19 104.16 2bkc n GLY 151 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.16 0.29 0.68 1.61 1.02 -0.02 -5.00 119.74 116.15 2bkc s LYS 152 Ca 0.00 -0.53 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 2bkc s LYS 152 Cb 0.00 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.43 2bkc s LYS 152 CO 0.00 -0.05 1.16 0.00 -0.92 0.00 0.00 175.35 175.54 2bkc s ALA 153 N -1.31 2.34 0.26 5.17 0.00 -1.26 -3.18 121.76 123.77 2bkc s ALA 153 Ca -0.14 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 2bkc s ALA 153 Cb -0.09 -3.39 0.32 0.00 0.00 0.00 0.00 23.12 19.96 2bkc s ALA 153 CO -0.01 -1.49 1.78 -1.00 0.00 0.00 0.00 175.76 175.03 2bkc h PRO 154 N 0.02 0.86 -0.61 0.00 0.13 -1.88 -3.15 132.00 127.38 2bkc h PRO 154 Ca -0.48 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2bkc h PRO 154 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2bkc h PRO 154 CO 0.52 0.81 0.00 1.28 -0.23 0.00 0.00 178.00 180.39 2bkc n LEU 155 N -4.24 3.69 0.00 1.56 4.77 -1.26 -4.84 117.00 116.68 2bkc n LEU 155 Ca 0.03 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2bkc n LEU 155 Cb 0.27 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2bkc n LEU 155 CO 0.41 0.90 0.00 1.21 -1.33 0.00 0.00 177.39 178.58