#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc n ASP 8 N 0.00 0.24 -0.15 -1.34 5.68 -1.26 -4.90 116.55 114.82 2bkc n ASP 8 Ca 0.00 -1.28 -0.09 0.00 -0.50 0.00 0.00 54.79 52.91 2bkc n ASP 8 Cb 0.00 -0.31 -0.00 0.00 -1.14 0.00 0.00 41.12 39.66 2bkc n ASP 8 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2bkc h THR 9 N -0.92 1.24 -0.79 2.12 2.02 -1.99 -2.49 112.91 112.10 2bkc h THR 9 Ca -0.14 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2bkc h THR 9 Cb 0.44 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2bkc h THR 9 CO 0.12 0.29 0.36 0.11 0.37 0.00 0.00 175.52 176.77 2bkc h LYS 10 N 0.58 1.15 -0.39 6.66 1.57 -1.97 -2.02 116.57 122.15 2bkc h LYS 10 Ca 0.14 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2bkc h LYS 10 Cb 0.33 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2bkc h LYS 10 CO 0.00 0.91 -0.06 0.93 -0.57 0.00 0.00 179.45 180.66 2bkc h GLU 11 N 1.13 0.66 -0.21 3.15 5.08 -1.93 -1.50 114.58 120.96 2bkc h GLU 11 Ca 0.27 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2bkc h GLU 11 Cb 0.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2bkc h GLU 11 CO -0.03 0.72 -0.08 0.35 -1.00 0.00 0.00 179.01 178.97 2bkc h PHE 12 N 0.62 0.49 -0.37 4.33 3.57 -0.97 -2.03 116.94 122.58 2bkc h PHE 12 Ca 0.12 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2bkc h PHE 12 Cb 0.48 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2bkc h PHE 12 CO 0.02 0.70 0.12 -0.07 -2.23 0.00 0.00 178.31 176.85 2bkc h LEU 13 N 0.14 0.54 -0.39 0.59 4.07 -1.28 -2.32 115.31 116.65 2bkc h LEU 13 Ca 0.05 -0.20 0.03 0.00 0.08 0.00 0.00 57.88 57.83 2bkc h LEU 13 Cb 0.56 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2bkc h LEU 13 CO 0.03 0.60 0.21 -1.13 -1.08 0.00 0.00 178.44 177.06 2bkc h ASN 14 N 0.45 0.32 -0.77 -0.43 -0.73 -1.27 -0.66 115.58 112.48 2bkc h ASN 14 Ca 0.12 0.01 0.17 0.00 1.87 0.00 0.00 56.30 58.47 2bkc h ASN 14 Cb 0.25 -0.05 -0.11 0.00 0.27 0.00 0.00 38.32 38.68 2bkc h ASN 14 CO -0.00 0.23 0.22 -0.74 -0.37 0.00 0.00 177.43 176.76 2bkc h HIS 15 N 0.43 0.34 0.00 0.67 2.76 -1.06 -1.03 115.15 117.26 2bkc h HIS 15 Ca 0.16 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2bkc h HIS 15 Cb 0.05 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2bkc h HIS 15 CO -0.09 -0.08 -0.14 1.96 -1.30 0.00 0.00 177.93 178.28 2bkc h GLN 16 N 0.30 0.00 -0.53 5.26 1.08 -0.71 -1.76 115.11 118.75 2bkc h GLN 16 Ca 0.44 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 2bkc h GLN 16 Cb 0.77 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2bkc h GLN 16 CO -0.51 0.14 0.29 0.28 -0.95 0.00 0.00 178.83 178.08 2bkc h VAL 17 N 0.00 1.18 -0.23 -0.54 2.07 0.14 -1.42 116.25 117.44 2bkc h VAL 17 Ca -0.00 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2bkc h VAL 17 Cb 0.88 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2bkc h VAL 17 CO 0.02 0.19 0.11 0.00 0.02 0.00 0.00 177.57 177.90 2bkc h ALA 18 N 1.13 0.29 -0.57 1.67 0.00 -1.15 -2.59 119.26 118.04 2bkc h ALA 18 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 18 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2bkc h ALA 18 CO -0.03 -0.14 0.33 -0.91 0.00 0.00 0.00 179.25 178.50 2bkc h ASN 19 N 0.23 0.52 0.42 0.00 2.35 -1.14 -2.13 115.58 115.83 2bkc h ASN 19 Ca 0.08 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 2bkc h ASN 19 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2bkc h ASN 19 CO -0.01 0.36 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.43 2bkc h LEU 20 N 0.65 0.23 -0.58 1.61 4.07 -1.22 0.17 115.31 120.24 2bkc h LEU 20 Ca 0.24 -0.14 -0.14 0.00 0.08 0.00 0.00 57.88 57.92 2bkc h LEU 20 Cb 0.07 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2bkc h LEU 20 CO -0.12 0.80 -0.40 0.78 -1.08 0.00 0.00 178.44 178.42 2bkc h ASN 21 N 0.15 0.73 -0.57 -0.43 2.35 -1.27 -1.44 115.58 115.10 2bkc h ASN 21 Ca -0.01 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.35 2bkc h ASN 21 Cb 1.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2bkc h ASN 21 CO 0.10 1.04 0.12 0.58 -1.65 0.00 0.00 177.43 177.62 2bkc h VAL 22 N 0.56 1.25 -0.44 2.81 2.07 -0.73 -3.00 116.25 118.77 2bkc h VAL 22 Ca 0.05 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 2bkc h VAL 22 Cb 0.93 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2bkc h VAL 22 CO 0.08 0.34 -0.21 0.15 0.02 0.00 0.00 177.57 177.95 2bkc h PHE 23 N 0.82 1.00 -0.53 1.57 3.57 -0.42 -1.94 116.94 121.00 2bkc h PHE 23 Ca 0.18 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2bkc h PHE 23 Cb 0.37 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2bkc h PHE 23 CO 0.03 1.00 0.31 1.15 -2.23 0.00 0.00 178.31 178.57 2bkc h THR 24 N 0.76 1.17 -0.45 4.41 2.02 -1.31 0.13 112.91 119.64 2bkc h THR 24 Ca 0.10 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 2bkc h THR 24 Cb 0.75 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2bkc h THR 24 CO 0.06 0.18 0.04 0.58 0.37 0.00 0.00 175.52 176.75 2bkc h VAL 25 N 0.72 1.22 -0.13 3.16 2.07 -1.35 -2.74 116.25 119.19 2bkc h VAL 25 Ca 0.19 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 2bkc h VAL 25 Cb 0.01 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2bkc h VAL 25 CO -0.03 0.31 -0.33 0.50 0.02 0.00 0.00 177.57 178.03 2bkc h LYS 26 N 0.68 0.26 -0.44 1.57 3.64 -0.67 -0.56 116.57 121.05 2bkc h LYS 26 Ca 0.14 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2bkc h LYS 26 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2bkc h LYS 26 CO 0.01 0.57 0.09 0.82 -2.27 0.00 0.00 179.45 178.67 2bkc h ILE 27 N 0.23 1.24 -0.80 2.00 2.04 -0.50 -1.95 117.51 119.76 2bkc h ILE 27 Ca 0.03 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2bkc h ILE 27 Cb 0.70 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2bkc h ILE 27 CO 0.05 0.30 0.52 0.45 0.00 0.00 0.00 178.15 179.47 2bkc h HIS 28 N 0.58 1.02 -0.59 1.37 3.86 -1.20 -0.92 115.15 119.26 2bkc h HIS 28 Ca 0.14 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2bkc h HIS 28 Cb 0.34 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2bkc h HIS 28 CO 0.02 0.65 0.39 0.37 0.86 0.00 0.00 177.93 180.23 2bkc h GLN 29 N 1.09 0.74 -0.03 2.45 4.15 -0.64 -1.29 115.11 121.58 2bkc h GLN 29 Ca 0.29 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.51 2bkc h GLN 29 Cb -0.11 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.43 2bkc h GLN 29 CO -0.06 0.49 -0.59 0.82 -1.93 0.00 0.00 178.83 177.56 2bkc h ILE 30 N 0.76 1.40 -0.51 2.39 2.04 -0.63 -2.69 117.51 120.28 2bkc h ILE 30 Ca 0.23 -2.01 0.09 0.00 1.00 0.00 0.00 64.86 64.16 2bkc h ILE 30 Cb -0.02 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 2bkc h ILE 30 CO -0.05 0.59 0.09 -0.74 0.00 0.00 0.00 178.15 178.04 2bkc h HIS 31 N -0.02 0.13 -0.18 1.37 2.76 -0.83 -2.84 115.15 115.54 2bkc h HIS 31 Ca -0.07 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 57.94 2bkc h HIS 31 Cb 1.28 0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.27 2bkc h HIS 31 CO 0.13 -0.02 -0.66 -1.49 -1.30 0.00 0.00 177.93 174.59 2bkc h TRP 32 N 0.22 1.00 -0.09 5.26 6.55 -1.22 -3.32 115.95 124.36 2bkc h TRP 32 Ca 0.26 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.68 2bkc h TRP 32 Cb 0.35 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2bkc h TRP 32 CO -0.24 1.24 0.00 0.66 -1.05 0.00 0.00 178.44 179.05 2bkc n TYR 33 N -4.02 0.08 -2.53 0.49 4.02 -1.02 -4.97 117.16 109.21 2bkc n TYR 33 Ca -0.07 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.90 57.38 2bkc n TYR 33 Cb 0.68 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.96 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 -1.92 4.68 0.06 -0.72 0.23 -1.07 -4.87 119.30 115.69 2bkc s MET 34 Ca 0.32 1.74 -0.01 0.00 -1.03 0.00 0.00 55.69 56.71 2bkc s MET 34 Cb 0.20 -3.21 -0.04 0.00 -1.53 0.00 0.00 34.83 30.25 2bkc s MET 34 CO 0.31 0.27 -0.03 1.03 -2.03 0.00 0.00 175.02 174.56 2bkc s ARG 35 N -1.33 0.65 0.00 3.16 0.52 -1.26 -4.98 118.95 115.71 2bkc s ARG 35 Ca 0.44 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2bkc s ARG 35 Cb -0.31 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.31 2bkc s ARG 35 CO 0.39 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.02 2bkc n GLY 36 N 0.09 -1.20 0.28 -3.53 0.00 -1.26 -4.41 105.19 95.15 2bkc n GLY 36 Ca -0.14 -2.23 0.19 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 -0.57 1.61 3.86 -2.06 -0.48 115.15 117.51 2bkc h HIS 37 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2bkc h HIS 37 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2bkc h HIS 37 CO 0.00 0.00 0.06 0.09 0.86 0.00 0.00 177.93 178.94 2bkc n ASN 38 N -2.92 5.26 -0.07 2.45 4.13 -1.26 -4.64 115.26 118.21 2bkc n ASN 38 Ca -0.01 -3.03 -0.07 0.00 1.68 0.00 0.00 54.58 53.14 2bkc n ASN 38 Cb 0.15 -0.68 -0.01 0.00 -1.54 0.00 0.00 39.78 37.70 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 3.36 -0.27 0.12 3.10 3.57 -1.38 -1.42 116.94 124.03 2bkc h PHE 39 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2bkc h PHE 39 Cb 2.00 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.91 2bkc h PHE 39 CO 1.07 -0.18 -0.06 0.74 -2.23 0.00 0.00 178.31 177.65 2bkc h PHE 40 N -0.07 -0.15 -0.38 0.41 -1.00 -1.84 -0.80 116.94 113.10 2bkc h PHE 40 Ca 0.14 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.82 2bkc h PHE 40 Cb 0.28 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 2bkc h PHE 40 CO -0.31 0.24 -0.17 0.00 -1.61 0.00 0.00 178.31 176.46 2bkc h THR 41 N -0.59 1.26 0.00 -1.55 1.03 -1.89 -2.96 112.91 108.21 2bkc h THR 41 Ca -0.02 -1.22 -0.17 0.00 -0.01 0.00 0.00 66.41 64.99 2bkc h THR 41 Cb 0.46 1.15 -0.02 0.00 -1.07 0.00 0.00 68.15 68.66 2bkc h THR 41 CO 0.03 0.41 -0.81 -0.07 -0.01 0.00 0.00 175.52 175.07 2bkc h LEU 42 N 0.64 0.00 -0.44 0.00 4.07 -1.28 -2.94 115.31 115.35 2bkc h LEU 42 Ca 0.10 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.10 2bkc h LEU 42 Cb 0.64 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 2bkc h LEU 42 CO 0.04 0.81 0.22 1.23 -1.08 0.00 0.00 178.44 179.66 2bkc h GLY 43 N 2.82 0.61 1.51 0.83 0.00 -1.02 -1.61 103.07 106.22 2bkc h GLY 43 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2bkc h GLY 43 CO 0.11 0.10 -0.38 0.83 0.00 0.00 0.00 176.54 177.20 2bkc h GLU 44 N 0.44 0.54 -0.49 4.80 5.08 -1.49 -2.32 114.58 121.13 2bkc h GLU 44 Ca 0.19 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2bkc h GLU 44 Cb 0.10 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2bkc h GLU 44 CO -0.14 0.84 0.11 0.87 -1.00 0.00 0.00 179.01 179.69 2bkc h LYS 45 N 0.45 0.75 -0.01 2.33 6.56 -1.31 -1.61 116.57 123.73 2bkc h LYS 45 Ca 0.04 -0.15 -0.17 0.00 -1.06 0.00 0.00 60.65 59.31 2bkc h LYS 45 Cb 0.86 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.39 2bkc h LYS 45 CO 0.07 0.69 -0.78 0.52 -2.06 0.00 0.00 179.45 177.89 2bkc h MET 46 N 0.73 0.09 -0.28 3.15 2.86 -1.10 -0.79 114.93 119.58 2bkc h MET 46 Ca 0.16 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2bkc h MET 46 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2bkc h MET 46 CO -0.00 0.82 0.16 -0.44 1.06 0.00 0.00 176.91 178.51 2bkc h ASP 47 N 0.06 0.25 -0.52 1.22 3.32 -1.20 0.90 116.42 120.44 2bkc h ASP 47 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2bkc h ASP 47 Cb 1.37 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 2bkc h ASP 47 CO 0.11 0.18 0.24 0.44 -1.72 0.00 0.00 179.24 178.49 2bkc h ASP 48 N 0.32 0.69 -0.60 6.45 3.32 -1.14 -2.86 116.42 122.60 2bkc h ASP 48 Ca 0.11 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2bkc h ASP 48 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2bkc h ASP 48 CO -0.06 0.63 0.12 0.25 -1.72 0.00 0.00 179.24 178.46 2bkc h LEU 49 N 0.69 0.93 0.16 1.55 5.85 -1.05 0.01 115.31 123.45 2bkc h LEU 49 Ca 0.18 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2bkc h LEU 49 Cb 0.13 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2bkc h LEU 49 CO -0.02 0.94 -0.33 0.22 -0.34 0.00 0.00 178.44 178.91 2bkc h TYR 50 N 0.88 -0.91 -0.37 1.25 5.03 -0.76 0.82 116.97 122.90 2bkc h TYR 50 Ca 0.18 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.35 2bkc h TYR 50 Cb 0.39 0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 2bkc h TYR 50 CO 0.03 -0.45 -0.39 0.66 -1.32 0.00 0.00 178.16 176.69 2bkc h SER 51 N -0.59 0.97 -0.08 -2.11 4.64 -1.45 -0.99 113.55 113.95 2bkc h SER 51 Ca 0.02 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 2bkc h SER 51 Cb 0.60 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 2bkc h SER 51 CO -0.17 1.24 -0.14 -0.08 -0.87 0.00 0.00 176.83 176.80 2bkc h GLU 52 N 0.74 -0.19 0.00 4.77 4.81 -0.86 -1.82 114.58 122.03 2bkc h GLU 52 Ca 0.06 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2bkc h GLU 52 Cb 0.98 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2bkc h GLU 52 CO 0.10 -0.13 -0.23 0.74 -0.73 0.00 0.00 179.01 178.76 2bkc h PHE 53 N -0.20 0.00 -0.70 0.92 -1.00 -0.80 -1.14 116.94 114.02 2bkc h PHE 53 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 2bkc h PHE 53 Cb 0.31 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 2bkc h PHE 53 CO -0.24 0.23 0.24 0.78 -1.61 0.00 0.00 178.31 177.71 2bkc h GLY 54 N 2.56 1.14 1.29 -1.45 0.00 -0.93 -2.30 103.07 103.38 2bkc h GLY 54 Ca -0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 47.33 46.46 2bkc h GLY 54 CO 0.03 0.60 -0.86 0.83 0.00 0.00 0.00 176.54 177.14 2bkc h GLU 55 N 1.02 0.68 -0.56 4.80 4.39 -0.71 -1.06 114.58 123.13 2bkc h GLU 55 Ca 0.23 -0.61 0.09 0.00 0.34 0.00 0.00 59.36 59.41 2bkc h GLU 55 Cb 0.26 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2bkc h GLU 55 CO -0.01 1.22 0.16 1.96 -1.16 0.00 0.00 179.01 181.18 2bkc h GLN 56 N 0.43 0.31 -0.01 2.33 4.20 -1.20 -1.01 115.11 120.15 2bkc h GLN 56 Ca -0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2bkc h GLN 56 Cb 1.49 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.20 2bkc h GLN 56 CO 0.17 0.20 0.01 1.98 -0.67 0.00 0.00 178.83 180.52 2bkc h MET 57 N 0.32 0.01 -0.77 1.46 4.05 -1.15 0.38 114.93 119.23 2bkc h MET 57 Ca 0.29 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.79 2bkc h MET 57 Cb 0.38 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.11 2bkc h MET 57 CO -0.33 0.04 0.43 0.22 0.23 0.00 0.00 176.91 177.50 2bkc h ASP 58 N -0.02 0.63 -0.13 1.39 -0.00 -0.97 0.03 116.42 117.35 2bkc h ASP 58 Ca 0.00 0.04 -0.14 0.00 -0.00 0.00 0.00 57.03 56.93 2bkc h ASP 58 Cb 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 2bkc h ASP 58 CO -0.00 0.38 -0.41 -0.33 -0.00 0.00 0.00 179.24 178.87 2bkc h GLU 59 N 0.76 0.67 -0.08 0.28 5.08 -0.89 -1.37 114.58 119.03 2bkc h GLU 59 Ca 0.36 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2bkc h GLU 59 Cb 0.29 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2bkc h GLU 59 CO -0.22 0.96 0.02 0.28 -1.00 0.00 0.00 179.01 179.05 2bkc h VAL 60 N 0.55 1.17 -0.53 3.13 2.07 -0.06 -1.67 116.25 120.90 2bkc h VAL 60 Ca 0.04 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2bkc h VAL 60 Cb 0.95 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 2bkc h VAL 60 CO 0.09 0.15 0.31 0.00 0.02 0.00 0.00 177.57 178.14 2bkc h ALA 61 N 0.83 0.69 -0.08 1.67 0.00 -0.98 0.71 119.26 122.09 2bkc h ALA 61 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2bkc h ALA 61 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bkc h ALA 61 CO -0.00 0.02 -0.58 0.93 0.00 0.00 0.00 179.25 179.62 2bkc h GLU 62 N 0.62 0.26 -0.45 0.00 5.08 -1.15 -0.99 114.58 117.95 2bkc h GLU 62 Ca 0.22 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 2bkc h GLU 62 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2bkc h GLU 62 CO -0.10 0.77 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.33 2bkc h ARG 63 N 0.20 0.96 -0.65 2.33 9.65 -1.00 -0.86 114.38 125.01 2bkc h ARG 63 Ca -0.00 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 58.47 2bkc h ARG 63 Cb 1.08 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.60 2bkc h ARG 63 CO 0.09 1.10 0.43 1.25 2.80 0.00 0.00 179.97 185.64 2bkc h LEU 64 N 0.82 0.68 -0.40 3.80 5.85 -0.20 -2.34 115.31 123.52 2bkc h LEU 64 Ca 0.10 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2bkc h LEU 64 Cb 0.83 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2bkc h LEU 64 CO 0.07 0.47 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.46 2bkc h LEU 65 N 0.79 0.79 -0.57 2.25 4.07 -0.91 0.24 115.31 121.98 2bkc h LEU 65 Ca 0.25 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.84 2bkc h LEU 65 Cb 0.03 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.55 2bkc h LEU 65 CO -0.07 0.99 0.00 0.00 -1.08 0.00 0.00 178.44 178.28 2bkc h ALA 66 N 0.83 1.00 -0.65 1.53 0.00 -0.64 -2.31 119.26 119.02 2bkc h ALA 66 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bkc h ALA 66 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2bkc h ALA 66 CO 0.04 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.73 2bkc n ILE 67 N -2.30 0.95 -0.09 0.00 -5.35 -0.98 -4.95 119.36 106.64 2bkc n ILE 67 Ca 0.03 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 2bkc n ILE 67 Cb 0.28 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.48 0.95 3.95 3.28 0.00 -0.87 -5.06 105.19 108.93 2bkc n GLY 68 Ca 0.22 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.75 -0.30 -0.02 0.00 0.84 -5.00 107.32 102.59 2bkc s GLY 69 Ca 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 2bkc s GLY 69 CO 0.00 -0.74 0.11 -0.56 0.00 0.00 0.00 173.10 171.91 2bkc s SER 70 N -4.72 3.78 0.38 1.64 0.01 -1.26 -4.41 113.70 109.11 2bkc s SER 70 Ca 0.67 -1.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.20 2bkc s SER 70 Cb -0.06 -0.60 -0.09 0.00 0.21 0.00 0.00 66.02 65.47 2bkc s SER 70 CO 0.47 -0.43 1.24 -2.16 0.41 0.00 0.00 173.24 172.78 2bkc s PRO 71 N 1.86 4.12 0.45 12.44 0.04 -1.26 -4.98 135.00 147.66 2bkc s PRO 71 Ca 0.09 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 2bkc s PRO 71 Cb -0.17 -2.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 2bkc s PRO 71 CO -0.31 -0.32 1.13 1.19 0.04 0.00 0.00 177.00 178.72 2bkc n PHE 72 N 0.32 1.57 -2.20 0.56 0.99 -1.26 -4.93 117.46 112.51 2bkc n PHE 72 Ca 0.03 0.51 -0.01 0.00 -0.00 0.00 0.00 57.45 57.98 2bkc n PHE 72 Cb 0.44 -2.28 -0.02 0.00 -1.00 0.00 0.00 39.48 36.62 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 0.15 0.06 -3.87 4.37 3.41 -1.26 -4.95 113.62 111.53 2bkc n SER 73 Ca 0.09 -1.87 -0.11 0.00 -0.26 0.00 0.00 58.87 56.72 2bkc n SER 73 Cb 0.41 -0.05 -0.09 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 0.10 0.38 6.66 -4.23 -1.26 -5.04 115.64 112.25 2bkc s THR 74 Ca 0.13 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2bkc s THR 74 Cb 0.15 -0.71 0.30 0.00 1.34 0.00 0.00 72.50 73.58 2bkc s THR 74 CO -0.07 -0.47 1.96 -0.07 -0.54 0.00 0.00 174.62 175.44 2bkc h LEU 75 N 3.84 0.59 -0.51 4.79 4.07 -1.99 -1.59 115.31 124.52 2bkc h LEU 75 Ca -0.32 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.58 2bkc h LEU 75 Cb 1.19 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 2bkc h LEU 75 CO 0.45 0.38 0.05 0.50 -1.08 0.00 0.00 178.44 178.75 2bkc h LYS 76 N 0.67 0.86 -0.11 1.13 3.64 -1.98 0.35 116.57 121.12 2bkc h LYS 76 Ca 0.30 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 2bkc h LYS 76 Cb 0.33 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2bkc h LYS 76 CO -0.10 0.86 -0.56 0.93 -2.27 0.00 0.00 179.45 178.31 2bkc h GLU 77 N 0.73 0.33 -0.14 1.90 5.08 -1.89 -0.33 114.58 120.26 2bkc h GLU 77 Ca 0.15 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2bkc h GLU 77 Cb 0.44 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2bkc h GLU 77 CO 0.02 0.80 -0.02 0.74 -1.00 0.00 0.00 179.01 179.55 2bkc h PHE 78 N 0.26 0.30 -0.81 4.33 0.05 -0.66 -2.30 116.94 118.10 2bkc h PHE 78 Ca 0.00 -0.06 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 2bkc h PHE 78 Cb 1.06 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.90 2bkc h PHE 78 CO 0.03 0.53 0.47 -0.07 -0.18 0.00 0.00 178.31 179.09 2bkc h LEU 79 N -0.02 0.99 -2.00 1.54 3.38 -0.95 -1.87 115.31 116.39 2bkc h LEU 79 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bkc h LEU 79 Cb 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2bkc h LEU 79 CO 0.01 0.78 0.00 -0.33 0.09 0.00 0.00 178.44 178.99 2bkc h GLU 80 N 1.12 0.00 0.00 1.13 5.08 -0.85 -3.32 114.58 117.74 2bkc h GLU 80 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2bkc h GLU 80 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2bkc h GLU 80 CO -0.05 0.00 -0.04 0.09 -1.00 0.00 0.00 179.01 178.00 2bkc n ASN 81 N -3.06 0.22 -4.78 1.42 4.13 -0.88 -5.06 115.26 107.24 2bkc n ASN 81 Ca -0.01 -0.44 -0.39 0.00 1.68 0.00 0.00 54.58 55.42 2bkc n ASN 81 Cb 0.22 0.93 -0.06 0.00 -1.54 0.00 0.00 39.78 39.33 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 -0.98 3.44 -0.92 5.41 0.00 -0.74 -4.90 121.76 123.07 2bkc s ALA 82 Ca 0.00 0.33 0.25 0.00 0.00 0.00 0.00 51.96 52.53 2bkc s ALA 82 Cb 0.00 -2.93 0.42 0.00 0.00 0.00 0.00 23.12 20.61 2bkc s ALA 82 CO 0.00 0.30 1.35 -1.13 0.00 0.00 0.00 175.76 176.28 2bkc n SER 83 N 1.41 0.55 -4.72 0.00 3.41 -1.26 -4.89 113.62 108.12 2bkc n SER 83 Ca -0.05 -0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 2bkc n SER 83 Cb 0.49 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 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 -3.04 4.63 0.19 -3.33 1.01 -1.26 -5.03 120.40 113.57 2bkc s VAL 84 Ca 0.10 2.07 -0.05 0.00 0.00 0.00 0.00 61.98 64.09 2bkc s VAL 84 Cb 0.17 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2bkc s VAL 84 CO 0.72 0.26 0.44 -1.61 0.00 0.00 0.00 175.10 174.91 2bkc s GLU 85 N 0.36 3.65 0.14 2.72 0.41 -1.26 -4.98 118.70 119.75 2bkc s GLU 85 Ca 0.49 -0.02 0.05 0.00 -0.41 0.00 0.00 54.97 55.08 2bkc s GLU 85 Cb -0.23 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 2bkc s GLU 85 CO 0.29 0.39 -0.11 -1.83 -0.49 0.00 0.00 175.26 173.51 2bkc s GLU 86 N -2.90 1.06 -0.10 1.61 -1.05 -1.26 -5.02 118.70 111.05 2bkc s GLU 86 Ca 0.43 -1.41 -0.14 0.00 -0.15 0.00 0.00 54.97 53.70 2bkc s GLU 86 Cb -0.12 -0.69 0.03 0.00 -0.44 0.00 0.00 34.13 32.92 2bkc s GLU 86 CO 0.25 0.10 0.35 0.00 0.95 0.00 0.00 175.26 176.91 2bkc s ALA 87 N -3.08 -0.87 0.63 -0.84 0.00 -1.26 -5.15 121.76 111.19 2bkc s ALA 87 Ca 0.15 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 2bkc s ALA 87 Cb 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2bkc s ALA 87 CO 0.01 -0.20 1.23 -1.25 0.00 0.00 0.00 175.76 175.55 2bkc s PRO 88 N -0.31 2.73 -0.52 0.00 0.04 -1.26 -4.93 135.00 130.76 2bkc s PRO 88 Ca -0.04 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 62.64 2bkc s PRO 88 Cb -0.03 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2bkc s PRO 88 CO 0.02 -1.41 0.85 -0.47 0.04 0.00 0.00 177.00 176.04 2bkc s TYR 89 N -1.61 2.88 -0.07 0.56 5.04 -1.26 -4.86 117.35 118.04 2bkc s TYR 89 Ca 0.78 -0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.34 2bkc s TYR 89 Cb -0.32 -3.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.06 2bkc s TYR 89 CO 0.37 -1.21 -0.07 0.25 -1.34 0.00 0.00 175.55 173.54 2bkc n THR 90 N 6.10 0.37 -4.23 4.34 -2.24 -1.26 -4.99 114.28 112.36 2bkc n THR 90 Ca 0.01 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 2bkc n THR 90 Cb 0.47 -1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.13 3.36 0.32 -0.78 1.02 -1.26 -5.10 119.74 115.18 2bkc s LYS 91 Ca -0.09 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2bkc s LYS 91 Cb 0.03 -2.95 -0.12 0.00 -0.52 0.00 0.00 37.83 34.26 2bkc s LYS 91 CO 0.13 0.55 1.36 -2.30 -0.92 0.00 0.00 175.35 174.17 2bkc n PRO 92 N 2.62 2.23 -4.34 -1.68 -0.02 -1.26 -5.01 135.00 127.54 2bkc n PRO 92 Ca -0.18 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 61.84 2bkc n PRO 92 Cb 0.53 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.54 2.08 0.71 -0.52 -0.14 -1.26 -5.13 119.74 113.93 2bkc s LYS 93 Ca 0.58 -1.48 -0.15 0.00 -1.36 0.00 0.00 55.97 53.56 2bkc s LYS 93 Cb -0.56 -2.06 0.03 0.00 -1.68 0.00 0.00 37.83 33.55 2bkc s LYS 93 CO 0.59 0.37 1.17 0.99 -0.76 0.00 0.00 175.35 177.71 2bkc s THR 94 N -2.23 2.68 0.21 2.17 2.01 -1.26 -4.81 115.64 114.41 2bkc s THR 94 Ca 0.29 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.53 2bkc s THR 94 Cb -0.07 -2.86 0.15 0.00 0.01 0.00 0.00 72.50 69.73 2bkc s THR 94 CO 0.17 -0.19 1.82 -0.03 -0.69 0.00 0.00 174.62 175.71 2bkc h MET 95 N -0.20 0.72 -0.19 4.92 4.05 -1.99 -2.26 114.93 119.98 2bkc h MET 95 Ca -0.47 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 58.95 2bkc h MET 95 Cb 1.27 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.87 2bkc h MET 95 CO 0.51 0.48 -0.10 -0.44 0.23 0.00 0.00 176.91 177.58 2bkc h ASP 96 N 0.74 -0.34 -0.74 1.39 5.19 -1.95 -1.89 116.42 118.82 2bkc h ASP 96 Ca 0.30 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.86 2bkc h ASP 96 Cb 0.15 0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.78 2bkc h ASP 96 CO -0.16 -0.14 0.42 1.56 -3.12 0.00 0.00 179.24 177.80 2bkc h GLN 97 N -0.09 0.73 -0.75 3.56 4.20 -1.87 0.14 115.11 121.03 2bkc h GLN 97 Ca 0.11 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2bkc h GLN 97 Cb 0.25 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2bkc h GLN 97 CO -0.25 0.48 0.26 -0.07 -0.67 0.00 0.00 178.83 178.58 2bkc h LEU 98 N 0.75 1.07 -1.04 1.46 3.38 -1.25 -2.09 115.31 117.60 2bkc h LEU 98 Ca 0.34 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2bkc h LEU 98 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2bkc h LEU 98 CO -0.20 0.98 -0.45 0.24 0.09 0.00 0.00 178.44 179.09 2bkc h MET 99 N 1.11 0.06 -0.10 1.13 2.86 -0.46 -1.93 114.93 117.61 2bkc h MET 99 Ca 0.25 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 2bkc h MET 99 Cb 0.27 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2bkc h MET 99 CO -0.01 0.50 -0.47 0.93 1.06 0.00 0.00 176.91 178.92 2bkc h GLU 100 N 0.05 0.24 -0.19 1.72 5.08 -0.64 -0.17 114.58 120.66 2bkc h GLU 100 Ca 0.00 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 2bkc h GLU 100 Cb 0.82 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2bkc h GLU 100 CO 0.06 0.66 -0.50 0.22 -1.00 0.00 0.00 179.01 178.45 2bkc h ASP 101 N 0.19 0.57 0.68 1.42 3.58 -1.01 -1.07 116.42 120.78 2bkc h ASP 101 Ca 0.01 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 2bkc h ASP 101 Cb 0.90 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.80 2bkc h ASP 101 CO 0.07 0.97 -0.32 0.25 -2.88 0.00 0.00 179.24 177.33 2bkc h LEU 102 N 0.41 -0.77 -0.68 2.28 6.46 -0.95 -2.26 115.31 119.80 2bkc h LEU 102 Ca 0.02 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 2bkc h LEU 102 Cb 1.02 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.08 2bkc h LEU 102 CO 0.09 -0.44 0.31 0.58 -0.62 0.00 0.00 178.44 178.37 2bkc h VAL 103 N -1.10 0.80 -0.61 1.05 2.07 -1.10 0.04 116.25 117.40 2bkc h VAL 103 Ca -0.09 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2bkc h VAL 103 Cb 0.73 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2bkc h VAL 103 CO 0.15 0.10 0.29 1.23 0.02 0.00 0.00 177.57 179.36 2bkc h GLY 104 N 0.52 0.88 1.04 2.17 0.00 -1.17 -1.01 103.07 105.51 2bkc h GLY 104 Ca 0.34 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 2bkc h GLY 104 CO -0.29 0.07 -0.11 -0.84 0.00 0.00 0.00 176.54 175.37 2bkc h THR 105 N 0.53 1.27 -0.90 4.70 2.02 -0.71 -2.50 112.91 117.33 2bkc h THR 105 Ca 0.29 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 66.27 2bkc h THR 105 Cb 0.27 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 2bkc h THR 105 CO -0.23 0.43 0.59 -0.07 0.37 0.00 0.00 175.52 176.61 2bkc h LEU 106 N 0.76 0.97 -0.41 2.58 3.38 -0.50 -1.32 115.31 120.77 2bkc h LEU 106 Ca 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2bkc h LEU 106 Cb 0.66 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2bkc h LEU 106 CO 0.05 0.66 -0.12 -0.33 0.09 0.00 0.00 178.44 178.78 2bkc h GLU 107 N 1.12 0.80 -0.09 1.13 5.08 -1.10 0.29 114.58 121.80 2bkc h GLU 107 Ca 0.36 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 107 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2bkc h GLU 107 CO -0.11 0.94 -0.08 1.25 -1.00 0.00 0.00 179.01 180.01 2bkc h LEU 108 N 0.61 -0.24 -0.45 1.33 6.46 -1.11 -0.03 115.31 121.89 2bkc h LEU 108 Ca 0.10 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2bkc h LEU 108 Cb 0.66 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 2bkc h LEU 108 CO 0.05 -0.11 0.23 -0.07 -0.62 0.00 0.00 178.44 177.92 2bkc h LEU 109 N -0.09 0.57 -0.54 2.25 3.38 -0.97 -0.90 115.31 119.02 2bkc h LEU 109 Ca 0.06 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2bkc h LEU 109 Cb 0.18 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 2bkc h LEU 109 CO -0.15 0.52 0.00 -0.09 0.09 0.00 0.00 178.44 178.81 2bkc h ARG 110 N 0.58 0.11 -0.12 1.13 2.43 -0.11 -0.38 114.38 118.02 2bkc h ARG 110 Ca 0.16 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.11 2bkc h ARG 110 Cb 0.09 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2bkc h ARG 110 CO -0.02 0.08 -0.77 -0.44 -1.51 0.00 0.00 179.97 177.30 2bkc h ASP 111 N 0.12 0.78 -0.38 -3.80 3.32 -0.41 -1.68 116.42 114.38 2bkc h ASP 111 Ca 0.27 -0.52 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 2bkc h ASP 111 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2bkc h ASP 111 CO -0.45 1.30 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.83 2bkc h GLU 112 N 0.45 0.87 -0.34 3.56 5.08 -1.04 -2.52 114.58 120.63 2bkc h GLU 112 Ca -0.05 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 2bkc h GLU 112 Cb 1.38 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2bkc h GLU 112 CO 0.15 1.00 -0.16 1.88 -1.00 0.00 0.00 179.01 180.88 2bkc h TYR 113 N 0.76 0.67 -0.68 4.33 -1.99 -0.90 -0.87 116.97 118.28 2bkc h TYR 113 Ca 0.10 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.78 2bkc h TYR 113 Cb 0.75 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 39.24 2bkc h TYR 113 CO 0.04 0.74 0.37 -0.22 -0.00 0.00 0.00 178.16 179.09 2bkc h LYS 114 N 0.56 0.64 -0.79 4.88 3.11 -1.10 0.14 116.57 124.01 2bkc h LYS 114 Ca 0.09 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2bkc h LYS 114 Cb 0.59 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.64 2bkc h LYS 114 CO 0.04 0.42 0.42 1.96 -2.81 0.00 0.00 179.45 179.48 2bkc h GLN 115 N 0.66 1.11 -0.20 1.90 4.20 -0.78 -2.54 115.11 119.46 2bkc h GLN 115 Ca 0.32 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2bkc h GLN 115 Cb 0.25 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2bkc h GLN 115 CO -0.21 0.83 -0.18 0.78 -0.67 0.00 0.00 178.83 179.38 2bkc h GLY 116 N 1.10 0.38 1.02 3.46 0.00 -0.40 -1.67 103.07 106.96 2bkc h GLY 116 Ca 0.28 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2bkc h GLY 116 CO -0.04 0.24 -0.27 -2.22 0.00 0.00 0.00 176.54 174.26 2bkc h ILE 117 N 0.32 1.29 -0.17 2.60 2.04 -0.47 -1.00 117.51 122.13 2bkc h ILE 117 Ca 0.06 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2bkc h ILE 117 Cb 0.51 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2bkc h ILE 117 CO 0.03 0.47 -0.08 -0.33 0.00 0.00 0.00 178.15 178.24 2bkc h GLU 118 N 0.59 0.35 -0.45 2.37 5.08 -1.26 -2.09 114.58 119.18 2bkc h GLU 118 Ca 0.07 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2bkc h GLU 118 Cb 0.83 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2bkc h GLU 118 CO 0.07 0.66 0.22 1.25 -1.00 0.00 0.00 179.01 180.21 2bkc h LEU 119 N 0.02 0.31 -0.46 1.33 5.85 -1.32 0.15 115.31 121.20 2bkc h LEU 119 Ca 0.04 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2bkc h LEU 119 Cb 0.56 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2bkc h LEU 119 CO 0.02 0.22 -0.43 0.00 -0.34 0.00 0.00 178.44 177.92 2bkc h THR 120 N 0.44 0.84 -0.17 1.05 1.03 -1.20 -1.60 112.91 113.29 2bkc h THR 120 Ca 0.20 -1.86 -0.05 0.00 -0.01 0.00 0.00 66.41 64.68 2bkc h THR 120 Cb 0.11 2.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.36 2bkc h THR 120 CO -0.14 0.42 -0.10 -0.78 -0.01 0.00 0.00 175.52 174.91 2bkc h ASP 121 N 0.00 0.38 -0.97 0.00 3.58 -0.98 -2.27 116.42 116.16 2bkc h ASP 121 Ca -0.00 -0.43 0.04 0.00 0.42 0.00 0.00 57.03 57.05 2bkc h ASP 121 Cb 1.15 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 42.03 2bkc h ASP 121 CO 0.06 0.73 0.64 0.50 -2.88 0.00 0.00 179.24 178.28 2bkc h LYS 122 N 0.04 1.19 -0.03 0.28 3.11 -0.29 -1.35 116.57 119.52 2bkc h LYS 122 Ca 0.04 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2bkc h LYS 122 Cb 0.59 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2bkc h LYS 122 CO 0.03 0.79 0.00 0.39 -2.81 0.00 0.00 179.45 177.85 2bkc n GLU 123 N -4.44 1.20 -1.07 1.90 1.02 -0.64 -4.92 120.64 113.69 2bkc n GLU 123 Ca 0.13 -0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 56.94 2bkc n GLU 123 Cb 0.09 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.94 0.36 3.54 0.62 0.00 -0.51 -4.95 105.19 105.19 2bkc n GLY 124 Ca 0.17 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.13 6.48 0.22 1.61 3.68 -0.87 -4.89 116.67 120.76 2bkc s ASP 125 Ca 0.00 -1.44 -0.03 0.00 2.13 0.00 0.00 52.55 53.22 2bkc s ASP 125 Cb 0.00 -2.53 0.21 0.00 -1.45 0.00 0.00 42.92 39.14 2bkc s ASP 125 CO 0.00 -1.46 1.60 0.44 0.13 0.00 0.00 175.17 175.88 2bkc h ASP 126 N 9.64 0.66 0.01 -0.34 3.32 -1.93 -2.69 116.42 125.10 2bkc h ASP 126 Ca 0.12 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2bkc h ASP 126 Cb 1.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2bkc h ASP 126 CO 1.35 0.95 -0.00 0.58 -1.72 0.00 0.00 179.24 180.40 2bkc h VAL 127 N 0.54 1.09 -0.31 -1.35 2.07 -1.97 -2.33 116.25 113.99 2bkc h VAL 127 Ca 0.06 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2bkc h VAL 127 Cb 0.85 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2bkc h VAL 127 CO 0.07 0.08 0.18 0.74 0.02 0.00 0.00 177.57 178.66 2bkc h THR 128 N -0.14 1.12 -0.79 2.57 2.02 -1.96 -1.62 112.91 114.11 2bkc h THR 128 Ca -0.00 -0.31 0.19 0.00 0.77 0.00 0.00 66.41 67.06 2bkc h THR 128 Cb 0.13 0.76 -0.14 0.00 -1.74 0.00 0.00 68.15 67.17 2bkc h THR 128 CO 0.00 0.12 0.02 -1.13 0.37 0.00 0.00 175.52 174.91 2bkc h ASN 129 N 0.39 -0.34 -0.21 4.18 -0.73 -1.51 -2.06 115.58 115.31 2bkc h ASN 129 Ca 0.11 0.20 -0.06 0.00 1.87 0.00 0.00 56.30 58.43 2bkc h ASN 129 Cb 0.04 0.36 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 2bkc h ASN 129 CO -0.02 -0.19 -0.10 -0.78 -0.37 0.00 0.00 177.43 175.97 2bkc h ASP 130 N 0.10 0.44 -0.44 1.15 3.58 -0.81 -2.55 116.42 117.90 2bkc h ASP 130 Ca 0.44 -0.41 0.05 0.00 0.42 0.00 0.00 57.03 57.54 2bkc h ASP 130 Cb 0.80 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2bkc h ASP 130 CO -0.69 0.75 0.16 -0.03 -2.88 0.00 0.00 179.24 176.55 2bkc h MET 131 N 0.13 0.32 -0.47 0.28 4.05 -0.97 -2.40 114.93 115.86 2bkc h MET 131 Ca 0.05 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 2bkc h MET 131 Cb 0.58 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2bkc h MET 131 CO 0.03 0.21 -0.05 -0.07 0.23 0.00 0.00 176.91 177.26 2bkc h LEU 132 N 0.33 0.80 -0.93 3.39 4.07 -1.31 -2.43 115.31 119.24 2bkc h LEU 132 Ca 0.20 -0.22 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 2bkc h LEU 132 Cb 0.19 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 2bkc h LEU 132 CO -0.20 0.90 0.12 0.40 -1.08 0.00 0.00 178.44 178.57 2bkc h ILE 133 N 0.75 1.24 -0.46 1.22 2.04 -1.15 -1.03 117.51 120.12 2bkc h ILE 133 Ca 0.14 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 64.96 2bkc h ILE 133 Cb 0.53 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2bkc h ILE 133 CO 0.03 0.33 -0.24 0.00 0.00 0.00 0.00 178.15 178.28 2bkc h ALA 134 N 1.26 0.65 -0.31 1.87 0.00 -1.18 -2.18 119.26 119.37 2bkc h ALA 134 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bkc h ALA 134 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bkc h ALA 134 CO 0.00 0.65 0.20 0.74 0.00 0.00 0.00 179.25 180.84 2bkc h PHE 135 N 0.82 0.39 -0.87 0.00 0.05 -1.34 -2.61 116.94 113.39 2bkc h PHE 135 Ca 0.10 0.01 0.10 0.00 3.82 0.00 0.00 57.97 61.99 2bkc h PHE 135 Cb 0.82 -0.13 -0.06 0.00 2.00 0.00 0.00 35.95 38.58 2bkc h PHE 135 CO 0.06 0.26 0.56 -0.22 -0.18 0.00 0.00 178.31 178.79 2bkc h LYS 136 N 0.41 0.82 -0.77 1.51 3.64 -1.10 -1.52 116.57 119.56 2bkc h LYS 136 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2bkc h LYS 136 Cb -0.03 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 2bkc h LYS 136 CO -0.02 0.54 0.46 0.00 -2.27 0.00 0.00 179.45 178.16 2bkc h ALA 137 N 1.57 0.98 -0.11 5.00 0.00 -1.01 0.14 119.26 125.83 2bkc h ALA 137 Ca 0.40 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 137 Cb 0.42 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bkc h ALA 137 CO -0.17 0.45 -0.64 1.03 0.00 0.00 0.00 179.25 179.92 2bkc h SER 138 N 1.05 0.75 -0.62 0.00 0.87 -1.32 -2.61 113.55 111.68 2bkc h SER 138 Ca 0.28 -0.65 0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2bkc h SER 138 Cb -0.04 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 2bkc h SER 138 CO -0.05 1.28 0.38 0.40 -0.53 0.00 0.00 176.83 178.31 2bkc h ILE 139 N 0.27 1.08 -0.63 2.23 2.04 -0.99 -0.02 117.51 121.48 2bkc h ILE 139 Ca -0.05 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2bkc h ILE 139 Cb 1.28 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2bkc h ILE 139 CO 0.13 0.14 0.19 0.44 0.00 0.00 0.00 178.15 179.05 2bkc h ASP 140 N 0.75 0.90 -0.38 1.72 3.32 -0.66 -0.33 116.42 121.75 2bkc h ASP 140 Ca 0.25 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2bkc h ASP 140 Cb 0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2bkc h ASP 140 CO -0.10 0.85 -0.07 0.50 -1.72 0.00 0.00 179.24 178.70 2bkc h LYS 141 N 0.93 0.72 -0.53 3.56 3.64 -1.05 -2.66 116.57 121.18 2bkc h LYS 141 Ca 0.21 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2bkc h LYS 141 Cb 0.28 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2bkc h LYS 141 CO -0.01 0.86 0.29 0.45 -2.27 0.00 0.00 179.45 178.77 2bkc h HIS 142 N 0.52 0.70 -0.18 1.91 3.86 -0.25 -2.02 115.15 119.70 2bkc h HIS 142 Ca 0.10 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2bkc h HIS 142 Cb 0.58 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2bkc h HIS 142 CO 0.05 0.49 0.06 0.82 0.86 0.00 0.00 177.93 180.21 2bkc h ILE 143 N 0.73 1.17 -0.05 2.45 2.04 -1.02 -1.11 117.51 121.72 2bkc h ILE 143 Ca 0.19 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2bkc h ILE 143 Cb 0.02 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2bkc h ILE 143 CO -0.03 0.16 -0.03 -0.25 0.00 0.00 0.00 178.15 178.01 2bkc h TRP 144 N 0.12 -0.06 -0.34 1.37 7.01 -1.20 -0.90 115.95 121.95 2bkc h TRP 144 Ca 0.06 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.02 2bkc h TRP 144 Cb 0.20 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2bkc h TRP 144 CO -0.01 -0.04 0.03 0.52 -2.79 0.00 0.00 178.44 176.15 2bkc h MET 145 N -0.03 0.57 -0.02 2.65 2.86 -1.29 0.14 114.93 119.82 2bkc h MET 145 Ca 0.03 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.33 2bkc h MET 145 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2bkc h MET 145 CO -0.06 0.68 -0.74 0.74 1.06 0.00 0.00 176.91 178.59 2bkc h PHE 146 N 0.39 0.19 -0.69 -0.22 -1.00 -1.18 -0.75 116.94 113.68 2bkc h PHE 146 Ca 0.10 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 2bkc h PHE 146 Cb 0.40 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 2bkc h PHE 146 CO 0.03 0.82 0.16 0.87 -1.61 0.00 0.00 178.31 178.58 2bkc h LYS 147 N 0.09 1.12 -0.87 1.51 1.79 -1.05 -1.60 116.57 117.55 2bkc h LYS 147 Ca -0.02 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 2bkc h LYS 147 Cb 1.30 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 2bkc h LYS 147 CO 0.11 0.99 0.46 0.00 -1.08 0.00 0.00 179.45 179.93 2bkc h ALA 148 N 1.07 1.16 -0.54 3.86 0.00 -0.39 0.98 119.26 125.40 2bkc h ALA 148 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2bkc h ALA 148 Cb 0.39 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bkc h ALA 148 CO 0.00 0.66 0.19 0.35 0.00 0.00 0.00 179.25 180.46 2bkc h PHE 149 N 1.23 0.79 -0.00 0.00 3.57 -0.85 -1.61 116.94 120.07 2bkc h PHE 149 Ca 0.30 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2bkc h PHE 149 Cb 0.06 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2bkc h PHE 149 CO 0.01 0.63 0.00 1.28 -2.23 0.00 0.00 178.31 178.00 2bkc n LEU 150 N -4.32 0.00 -0.22 0.59 4.77 -0.59 -4.89 117.00 112.34 2bkc n LEU 150 Ca 0.04 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 2bkc n LEU 150 Cb 0.18 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2bkc n LEU 150 CO 0.39 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.03 2bkc n GLY 151 N 0.51 0.59 3.51 -0.72 0.00 -0.61 -5.03 105.19 103.45 2bkc n GLY 151 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.52 1.83 0.66 1.61 1.02 0.24 -4.98 119.74 118.58 2bkc s LYS 152 Ca 0.00 -1.71 -0.11 0.00 0.02 0.00 0.00 55.97 54.17 2bkc s LYS 152 Cb 0.00 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 2bkc s LYS 152 CO 0.00 0.32 1.05 0.00 -0.92 0.00 0.00 175.35 175.80 2bkc s ALA 153 N -2.48 2.88 0.23 5.17 0.00 -1.26 -3.12 121.76 123.17 2bkc s ALA 153 Ca 0.31 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 2bkc s ALA 153 Cb -0.05 -3.13 0.20 0.00 0.00 0.00 0.00 23.12 20.14 2bkc s ALA 153 CO 0.16 -0.98 1.84 -1.35 0.00 0.00 0.00 175.76 175.43 2bkc h PRO 154 N -0.54 1.25 -0.80 0.00 0.11 -1.88 -3.24 132.00 126.90 2bkc h PRO 154 Ca -0.44 -0.16 -0.57 0.00 0.11 0.00 0.00 66.00 64.94 2bkc h PRO 154 Cb 1.20 -0.24 -0.37 0.00 0.11 0.00 0.00 31.00 31.70 2bkc h PRO 154 CO 0.59 0.93 -0.29 1.28 -0.21 0.00 0.00 178.00 180.31 2bkc n LEU 155 N -4.32 5.70 0.00 2.35 4.77 -1.26 -4.85 117.00 119.39 2bkc n LEU 155 Ca 0.09 -4.57 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 2bkc n LEU 155 Cb 0.11 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2bkc n LEU 155 CO 0.39 1.88 0.11 -1.84 -1.33 0.00 0.00 177.39 176.61