#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 1.15 -0.13 -1.34 5.68 -1.26 -4.86 116.55 115.79 2bkc n ASP 8 Ca 0.00 -1.80 -0.04 0.00 -0.50 0.00 0.00 54.79 52.44 2bkc n ASP 8 Cb 0.00 -0.20 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 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 0.09 0.79 -0.12 2.12 2.02 -1.98 -1.57 112.91 114.26 2bkc h THR 9 Ca -0.14 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2bkc h THR 9 Cb 0.64 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2bkc h THR 9 CO 0.21 0.04 0.00 0.11 0.37 0.00 0.00 175.52 176.25 2bkc h LYS 10 N 0.23 0.04 -0.00 6.66 1.57 -1.97 -1.84 116.57 121.27 2bkc h LYS 10 Ca 0.20 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2bkc h LYS 10 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2bkc h LYS 10 CO -0.26 0.03 -0.41 0.93 -0.57 0.00 0.00 179.45 179.18 2bkc h GLU 11 N 0.05 0.00 -0.02 3.15 5.08 -1.90 -0.85 114.58 120.09 2bkc h GLU 11 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bkc h GLU 11 Cb 0.07 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2bkc h GLU 11 CO -0.10 0.41 -0.00 0.35 -1.00 0.00 0.00 179.01 178.67 2bkc h PHE 12 N 0.00 0.04 -0.58 4.33 3.57 -0.94 -1.40 116.94 121.96 2bkc h PHE 12 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2bkc h PHE 12 Cb 0.72 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 2bkc h PHE 12 CO 0.00 0.36 0.31 -0.07 -2.23 0.00 0.00 178.31 176.67 2bkc h LEU 13 N -0.28 0.45 -0.75 0.59 4.07 -1.13 -2.07 115.31 116.19 2bkc h LEU 13 Ca 0.01 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 2bkc h LEU 13 Cb 0.34 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2bkc h LEU 13 CO 0.00 0.30 0.29 -1.13 -1.08 0.00 0.00 178.44 176.82 2bkc h ASN 14 N 0.58 1.05 -0.77 -0.43 -0.73 -1.13 -1.68 115.58 112.46 2bkc h ASN 14 Ca 0.26 -0.18 0.06 0.00 1.87 0.00 0.00 56.30 58.31 2bkc h ASN 14 Cb 0.16 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 2bkc h ASN 14 CO -0.17 0.94 0.51 -0.74 -0.37 0.00 0.00 177.43 177.59 2bkc h HIS 15 N 1.09 0.85 0.00 0.67 2.76 -0.59 -2.16 115.15 117.77 2bkc h HIS 15 Ca 0.25 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 2bkc h HIS 15 Cb 0.23 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2bkc h HIS 15 CO 0.02 0.45 -0.42 1.96 -1.30 0.00 0.00 177.93 178.64 2bkc h GLN 16 N 0.84 0.00 -0.48 5.26 1.08 -0.79 -1.17 115.11 119.85 2bkc h GLN 16 Ca 0.33 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 2bkc h GLN 16 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2bkc h GLN 16 CO -0.11 0.42 0.27 0.28 -0.95 0.00 0.00 178.83 178.73 2bkc h VAL 17 N 0.00 1.17 -0.26 -0.54 2.07 -0.67 0.03 116.25 118.05 2bkc h VAL 17 Ca -0.00 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2bkc h VAL 17 Cb 1.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2bkc h VAL 17 CO 0.05 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.91 2bkc h ALA 18 N 1.11 0.33 -0.88 1.67 0.00 -1.28 -2.61 119.26 117.60 2bkc h ALA 18 Ca 0.17 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2bkc h ALA 18 Cb 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2bkc h ALA 18 CO -0.03 -0.05 0.56 -0.91 0.00 0.00 0.00 179.25 178.83 2bkc h ASN 19 N 0.25 0.92 0.88 0.00 2.35 -0.89 -2.71 115.58 116.38 2bkc h ASN 19 Ca 0.08 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 2bkc h ASN 19 Cb 0.22 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2bkc h ASN 19 CO -0.00 0.61 -0.86 -0.07 -1.65 0.00 0.00 177.43 175.46 2bkc h LEU 20 N 1.06 0.00 -0.91 1.61 4.07 -0.88 0.18 115.31 120.45 2bkc h LEU 20 Ca 0.37 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.22 2bkc h LEU 20 Cb 0.08 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2bkc h LEU 20 CO -0.14 0.86 -0.32 0.78 -1.08 0.00 0.00 178.44 178.54 2bkc h ASN 21 N 0.00 0.43 -0.05 -0.43 2.35 -1.37 -0.57 115.58 115.93 2bkc h ASN 21 Ca -0.01 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 2bkc h ASN 21 Cb 1.53 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2bkc h ASN 21 CO 0.11 0.73 -0.23 0.58 -1.65 0.00 0.00 177.43 176.98 2bkc h VAL 22 N 0.37 1.45 -0.48 2.81 2.07 -1.08 -3.15 116.25 118.23 2bkc h VAL 22 Ca 0.05 -1.66 0.04 0.00 0.82 0.00 0.00 66.70 65.94 2bkc h VAL 22 Cb 0.74 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 2bkc h VAL 22 CO 0.06 0.47 0.24 0.15 0.02 0.00 0.00 177.57 178.51 2bkc h PHE 23 N -0.29 0.44 -0.79 1.57 3.57 -0.60 -2.02 116.94 118.83 2bkc h PHE 23 Ca -0.01 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2bkc h PHE 23 Cb 0.87 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 2bkc h PHE 23 CO 0.14 0.22 0.36 1.15 -2.23 0.00 0.00 178.31 177.95 2bkc h THR 24 N 0.48 0.71 0.02 4.41 2.02 -1.19 0.11 112.91 119.46 2bkc h THR 24 Ca 0.21 -0.18 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 2bkc h THR 24 Cb 0.12 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2bkc h THR 24 CO -0.15 0.10 -0.92 0.58 0.37 0.00 0.00 175.52 175.49 2bkc h VAL 25 N 0.54 1.51 -0.35 3.16 2.07 -1.42 -1.99 116.25 119.77 2bkc h VAL 25 Ca 0.43 -2.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 2bkc h VAL 25 Cb 0.60 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 2bkc h VAL 25 CO -0.37 0.79 -0.07 0.50 0.02 0.00 0.00 177.57 178.45 2bkc h LYS 26 N 0.10 0.57 -0.50 1.57 3.64 -0.89 -0.65 116.57 120.41 2bkc h LYS 26 Ca -0.05 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2bkc h LYS 26 Cb 1.57 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 2bkc h LYS 26 CO 0.14 0.64 0.25 0.82 -2.27 0.00 0.00 179.45 179.03 2bkc h ILE 27 N 0.53 1.19 -1.01 2.00 2.04 -0.11 -1.94 117.51 120.22 2bkc h ILE 27 Ca 0.10 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2bkc h ILE 27 Cb 0.45 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2bkc h ILE 27 CO 0.02 0.21 0.66 0.45 0.00 0.00 0.00 178.15 179.49 2bkc h HIS 28 N 0.66 1.23 -0.29 1.37 3.86 -1.21 -2.29 115.15 118.48 2bkc h HIS 28 Ca 0.17 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2bkc h HIS 28 Cb 0.10 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 2bkc h HIS 28 CO -0.01 0.69 0.15 0.37 0.86 0.00 0.00 177.93 179.99 2bkc h GLN 29 N 1.25 0.41 -0.68 2.45 4.15 -0.59 -0.76 115.11 121.34 2bkc h GLN 29 Ca 0.41 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.81 2bkc h GLN 29 Cb 0.05 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 2bkc h GLN 29 CO -0.14 0.37 0.43 0.82 -1.93 0.00 0.00 178.83 178.38 2bkc h ILE 30 N 0.35 1.09 -0.46 2.39 2.04 -1.33 -2.25 117.51 119.34 2bkc h ILE 30 Ca 0.10 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2bkc h ILE 30 Cb 0.09 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2bkc h ILE 30 CO -0.01 0.15 -0.14 -0.74 0.00 0.00 0.00 178.15 177.41 2bkc h HIS 31 N 0.84 0.97 0.13 1.37 2.76 -0.96 -1.63 115.15 118.62 2bkc h HIS 31 Ca 0.27 -0.20 -0.30 0.00 -2.20 0.00 0.00 60.37 57.95 2bkc h HIS 31 Cb 0.02 -0.24 0.03 0.00 1.55 0.00 0.00 27.41 28.77 2bkc h HIS 31 CO -0.04 0.94 -1.27 -1.49 -1.30 0.00 0.00 177.93 174.77 2bkc h TRP 32 N 0.77 0.99 -0.01 5.26 6.55 -1.04 -3.32 115.95 125.15 2bkc h TRP 32 Ca 0.12 -0.64 0.00 0.00 0.95 0.00 0.00 58.89 59.32 2bkc h TRP 32 Cb 0.66 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 2bkc h TRP 32 CO 0.04 1.48 -0.28 0.66 -1.05 0.00 0.00 178.44 179.28 2bkc n TYR 33 N -3.77 0.00 -2.34 0.49 4.02 -0.86 -4.97 117.16 109.72 2bkc n TYR 33 Ca -0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.35 2bkc n TYR 33 Cb 1.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 40.23 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 -2.40 4.47 0.15 -0.72 0.23 -0.62 -4.97 119.30 115.44 2bkc s MET 34 Ca 0.24 1.93 0.04 0.00 -1.03 0.00 0.00 55.69 56.87 2bkc s MET 34 Cb 0.19 -3.07 -0.04 0.00 -1.53 0.00 0.00 34.83 30.38 2bkc s MET 34 CO 0.50 0.01 -0.08 1.03 -2.03 0.00 0.00 175.02 174.45 2bkc s ARG 35 N -1.69 1.05 0.00 3.16 0.52 -1.26 -4.99 118.95 115.75 2bkc s ARG 35 Ca 0.48 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2bkc s ARG 35 Cb -0.34 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.59 2bkc s ARG 35 CO 0.44 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2bkc n GLY 36 N -0.19 2.02 0.23 -3.53 0.00 -1.26 -4.46 105.19 97.99 2bkc n GLY 36 Ca -0.10 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.23 1.61 3.86 -2.06 -1.86 115.15 116.47 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 0.21 0.00 0.09 0.86 0.00 0.00 177.93 179.09 2bkc n ASN 38 N -3.91 1.88 -0.24 2.45 4.13 -1.26 -4.50 115.26 113.80 2bkc n ASN 38 Ca -0.02 -2.13 0.05 0.00 1.68 0.00 0.00 54.58 54.16 2bkc n ASN 38 Cb 0.30 -0.33 0.17 0.00 -1.54 0.00 0.00 39.78 38.38 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 1.45 0.27 0.10 3.10 3.57 -1.64 -1.71 116.94 122.07 2bkc h PHE 39 Ca 0.00 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 2bkc h PHE 39 Cb 0.61 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 39.36 2bkc h PHE 39 CO 0.25 -0.08 -0.77 0.74 -2.23 0.00 0.00 178.31 176.22 2bkc h PHE 40 N 0.27 0.59 0.00 0.41 -1.00 -1.86 -1.63 116.94 113.72 2bkc h PHE 40 Ca 0.40 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2bkc h PHE 40 Cb 0.68 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2bkc h PHE 40 CO -0.26 1.27 0.00 0.00 -1.61 0.00 0.00 178.31 177.70 2bkc h THR 41 N -0.25 0.00 0.01 -1.55 1.03 -1.85 -2.60 112.91 107.69 2bkc h THR 41 Ca -0.12 -0.67 -0.36 0.00 -0.01 0.00 0.00 66.41 65.25 2bkc h THR 41 Cb 1.55 1.63 -0.06 0.00 -1.07 0.00 0.00 68.15 70.21 2bkc h THR 41 CO 0.15 0.00 -2.27 0.18 -0.01 0.00 0.00 175.52 173.57 2bkc n LEU 42 N -2.87 1.27 -0.23 0.00 4.32 -0.66 -2.91 117.00 115.92 2bkc n LEU 42 Ca 0.03 0.05 0.03 0.00 -0.02 0.00 0.00 56.01 56.09 2bkc n LEU 42 Cb 0.40 -0.13 0.15 0.00 -1.62 0.00 0.00 43.42 42.23 2bkc n LEU 42 CO 0.29 0.65 0.98 1.23 -1.22 0.00 0.00 177.39 179.33 2bkc h GLY 43 N 3.05 0.98 1.88 -0.72 0.00 -1.35 0.21 103.07 107.11 2bkc h GLY 43 Ca -0.51 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 2bkc h GLY 43 CO 0.01 -0.08 -0.31 0.83 0.00 0.00 0.00 176.54 176.99 2bkc h GLU 44 N 0.39 0.15 -0.47 4.80 3.07 -1.59 -2.20 114.58 118.73 2bkc h GLU 44 Ca 0.37 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 2bkc h GLU 44 Cb 0.53 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2bkc h GLU 44 CO -0.38 0.45 -0.19 0.87 -1.40 0.00 0.00 179.01 178.35 2bkc h LYS 45 N 0.13 0.95 -0.07 2.33 6.56 -1.15 -2.82 116.57 122.50 2bkc h LYS 45 Ca 0.02 -0.40 -0.11 0.00 -1.06 0.00 0.00 60.65 59.10 2bkc h LYS 45 Cb 0.62 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 2bkc h LYS 45 CO 0.04 1.07 -0.46 0.52 -2.06 0.00 0.00 179.45 178.56 2bkc h MET 46 N 0.80 0.18 -0.05 3.15 2.86 -0.34 -2.06 114.93 119.46 2bkc h MET 46 Ca 0.11 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2bkc h MET 46 Cb 0.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 2bkc h MET 46 CO 0.06 0.60 0.03 -0.44 1.06 0.00 0.00 176.91 178.22 2bkc h ASP 47 N 0.15 0.04 -0.71 1.22 3.32 -1.37 0.70 116.42 119.76 2bkc h ASP 47 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2bkc h ASP 47 Cb 0.87 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 2bkc h ASP 47 CO 0.07 0.03 0.22 0.44 -1.72 0.00 0.00 179.24 178.28 2bkc h ASP 48 N 0.06 1.04 -0.22 6.45 3.32 -1.28 -2.40 116.42 123.39 2bkc h ASP 48 Ca 0.02 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 2bkc h ASP 48 Cb 0.00 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 2bkc h ASP 48 CO -0.02 0.97 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.14 2bkc h LEU 49 N 1.07 0.61 -0.18 1.55 4.07 -1.26 -0.58 115.31 120.59 2bkc h LEU 49 Ca 0.23 -0.50 0.05 0.00 0.08 0.00 0.00 57.88 57.74 2bkc h LEU 49 Cb 0.30 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.80 2bkc h LEU 49 CO -0.01 0.98 -0.41 0.22 -1.08 0.00 0.00 178.44 178.15 2bkc h TYR 50 N 0.24 -1.17 -0.27 1.13 5.03 -0.78 0.15 116.97 121.30 2bkc h TYR 50 Ca 0.03 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.44 2bkc h TYR 50 Cb 0.83 0.54 -0.05 0.00 1.55 0.00 0.00 36.73 39.60 2bkc h TYR 50 CO 0.08 -0.46 -0.06 0.77 -1.32 0.00 0.00 178.16 177.17 2bkc h SER 51 N -0.45 -0.23 -0.21 -2.11 0.02 -1.38 -0.46 113.55 108.73 2bkc h SER 51 Ca 0.09 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2bkc h SER 51 Cb 0.61 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2bkc h SER 51 CO -0.42 -0.08 0.09 -0.08 -1.14 0.00 0.00 176.83 175.19 2bkc h GLU 52 N 0.01 0.31 0.00 3.45 4.81 -0.89 -1.21 114.58 121.05 2bkc h GLU 52 Ca 0.13 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2bkc h GLU 52 Cb 0.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2bkc h GLU 52 CO -0.27 0.36 -0.42 0.74 -0.73 0.00 0.00 179.01 178.68 2bkc h PHE 53 N 0.19 0.00 -0.03 0.92 -1.00 -0.63 -1.44 116.94 114.95 2bkc h PHE 53 Ca 0.07 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 2bkc h PHE 53 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 2bkc h PHE 53 CO -0.01 0.42 -0.33 0.78 -1.61 0.00 0.00 178.31 177.55 2bkc h GLY 54 N 1.81 0.06 1.24 -1.45 0.00 -0.87 -2.31 103.07 101.55 2bkc h GLY 54 Ca -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 2bkc h GLY 54 CO 0.05 0.04 -0.77 0.83 0.00 0.00 0.00 176.54 176.69 2bkc h GLU 55 N 0.05 0.75 -0.32 4.80 5.08 -0.46 -2.62 114.58 121.85 2bkc h GLU 55 Ca 0.00 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 57.79 2bkc h GLU 55 Cb 0.61 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2bkc h GLU 55 CO 0.04 1.22 0.13 1.96 -1.00 0.00 0.00 179.01 181.36 2bkc h GLN 56 N 0.51 0.27 -0.17 2.33 4.20 -1.22 -1.48 115.11 119.54 2bkc h GLN 56 Ca -0.05 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.69 2bkc h GLN 56 Cb 1.40 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.06 2bkc h GLN 56 CO 0.16 0.18 -0.16 1.98 -0.67 0.00 0.00 178.83 180.31 2bkc h MET 57 N 0.27 -0.18 -0.22 1.46 4.05 -1.42 0.43 114.93 119.32 2bkc h MET 57 Ca 0.14 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.61 2bkc h MET 57 Cb 0.10 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 2bkc h MET 57 CO -0.13 -0.12 0.03 0.22 0.23 0.00 0.00 176.91 177.14 2bkc h ASP 58 N -0.19 -0.01 0.26 1.39 3.58 -1.39 -0.92 116.42 119.15 2bkc h ASP 58 Ca 0.11 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2bkc h ASP 58 Cb 0.35 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2bkc h ASP 58 CO -0.28 0.02 -0.25 -0.33 -2.88 0.00 0.00 179.24 175.53 2bkc h GLU 59 N 0.11 0.00 -0.11 0.28 5.08 -0.77 0.52 114.58 119.69 2bkc h GLU 59 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 59 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2bkc h GLU 59 CO -0.15 0.25 -0.27 0.28 -1.00 0.00 0.00 179.01 178.12 2bkc h VAL 60 N 0.00 1.39 -0.04 3.13 2.07 -0.51 -1.82 116.25 120.47 2bkc h VAL 60 Ca -0.00 -1.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2bkc h VAL 60 Cb 0.44 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2bkc h VAL 60 CO 0.03 0.46 -0.49 0.00 0.02 0.00 0.00 177.57 177.59 2bkc h ALA 61 N 0.51 1.10 0.01 1.67 0.00 -0.91 -1.38 119.26 120.26 2bkc h ALA 61 Ca -0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 2bkc h ALA 61 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2bkc h ALA 61 CO 0.06 0.63 -0.91 0.93 0.00 0.00 0.00 179.25 179.97 2bkc h GLU 62 N 0.09 0.24 -0.26 0.00 5.08 -0.94 -2.32 114.58 116.47 2bkc h GLU 62 Ca 0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2bkc h GLU 62 Cb 0.90 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2bkc h GLU 62 CO 0.07 1.00 -0.39 -0.09 -1.00 0.00 0.00 179.01 178.59 2bkc h ARG 63 N 0.13 0.72 -0.59 2.33 9.65 -1.08 -1.67 114.38 123.87 2bkc h ARG 63 Ca -0.05 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 2bkc h ARG 63 Cb 1.55 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 30.13 2bkc h ARG 63 CO 0.14 1.05 0.35 1.25 2.80 0.00 0.00 179.97 185.56 2bkc h LEU 64 N 0.44 0.55 -0.75 3.80 5.85 -1.29 -2.09 115.31 121.82 2bkc h LEU 64 Ca 0.02 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2bkc h LEU 64 Cb 0.98 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 2bkc h LEU 64 CO 0.09 0.38 0.43 -0.07 -0.34 0.00 0.00 178.44 178.93 2bkc h LEU 65 N 0.68 0.64 -1.24 2.25 -0.00 -1.37 0.20 115.31 116.47 2bkc h LEU 65 Ca 0.24 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2bkc h LEU 65 Cb 0.06 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2bkc h LEU 65 CO -0.12 0.40 -0.05 0.00 -0.00 0.00 0.00 178.44 178.67 2bkc h ALA 66 N 1.39 1.00 -0.71 1.53 0.00 -0.66 -2.13 119.26 119.69 2bkc h ALA 66 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2bkc h ALA 66 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bkc h ALA 66 CO -0.20 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.55 2bkc n ILE 67 N -3.16 1.20 -0.14 0.00 -5.35 -0.88 -4.96 119.36 106.08 2bkc n ILE 67 Ca 0.01 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2bkc n ILE 67 Cb 0.36 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.53 1.10 3.98 3.28 0.00 -0.80 -5.06 105.19 109.23 2bkc n GLY 68 Ca 0.25 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.12 2.01 -0.28 -0.02 0.00 0.69 -4.99 107.32 102.62 2bkc s GLY 69 Ca 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 44.72 42.98 2bkc s GLY 69 CO 0.00 -1.82 0.05 -0.56 0.00 0.00 0.00 173.10 170.77 2bkc s SER 70 N -4.53 3.90 0.26 1.64 0.01 -1.26 -4.31 113.70 109.42 2bkc s SER 70 Ca 0.49 -1.47 -0.30 0.00 1.31 0.00 0.00 55.95 55.98 2bkc s SER 70 Cb -0.04 -0.98 -0.11 0.00 0.21 0.00 0.00 66.02 65.10 2bkc s SER 70 CO 0.31 -0.35 1.50 -2.16 0.41 0.00 0.00 173.24 172.94 2bkc s PRO 71 N 1.52 4.21 0.39 12.44 0.04 -1.26 -4.99 135.00 147.35 2bkc s PRO 71 Ca 0.05 2.40 -0.24 0.00 0.04 0.00 0.00 61.00 63.25 2bkc s PRO 71 Cb -0.18 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.16 2bkc s PRO 71 CO -0.16 -0.50 0.79 1.19 0.04 0.00 0.00 177.00 178.36 2bkc n PHE 72 N 2.31 0.40 -2.18 0.56 0.99 -1.26 -4.93 117.46 113.36 2bkc n PHE 72 Ca 0.07 0.62 -0.01 0.00 -0.00 0.00 0.00 57.45 58.13 2bkc n PHE 72 Cb 0.39 -2.12 -0.02 0.00 -1.00 0.00 0.00 39.48 36.73 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 1.00 -0.04 -3.88 4.37 3.41 -1.26 -4.97 113.62 112.26 2bkc n SER 73 Ca 0.11 -1.86 -0.11 0.00 -0.26 0.00 0.00 58.87 56.74 2bkc n SER 73 Cb 0.37 -0.01 -0.10 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 0.08 0.18 6.66 -4.23 -1.26 -5.05 115.64 112.02 2bkc s THR 74 Ca 0.12 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 2bkc s THR 74 Cb 0.14 -0.41 0.14 0.00 1.34 0.00 0.00 72.50 73.71 2bkc s THR 74 CO -0.06 -0.37 1.66 -0.07 -0.54 0.00 0.00 174.62 175.25 2bkc h LEU 75 N 4.39 -0.37 -0.57 4.79 4.07 -1.99 -1.12 115.31 124.52 2bkc h LEU 75 Ca -0.31 0.14 0.11 0.00 0.08 0.00 0.00 57.88 57.90 2bkc h LEU 75 Cb 1.20 0.27 -0.11 0.00 1.08 0.00 0.00 40.66 43.09 2bkc h LEU 75 CO 0.41 -0.13 -0.14 0.50 -1.08 0.00 0.00 178.44 177.99 2bkc h LYS 76 N 0.03 0.00 -0.58 1.13 3.64 -1.99 0.39 116.57 119.19 2bkc h LYS 76 Ca 0.24 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 2bkc h LYS 76 Cb 0.36 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2bkc h LYS 76 CO -0.47 0.00 -0.03 0.93 -2.27 0.00 0.00 179.45 177.62 2bkc h GLU 77 N 0.00 1.03 -0.69 1.90 5.08 -1.83 -1.76 114.58 118.31 2bkc h GLU 77 Ca 0.27 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2bkc h GLU 77 Cb 0.42 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2bkc h GLU 77 CO -0.59 1.02 0.38 0.74 -1.00 0.00 0.00 179.01 179.57 2bkc h PHE 78 N 0.94 0.93 -0.32 4.33 0.05 -0.39 -2.90 116.94 119.59 2bkc h PHE 78 Ca 0.16 -0.01 -0.13 0.00 3.82 0.00 0.00 57.97 61.81 2bkc h PHE 78 Cb 0.58 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 2bkc h PHE 78 CO 0.04 0.65 -0.33 -0.07 -0.18 0.00 0.00 178.31 178.41 2bkc h LEU 79 N 0.96 0.72 -1.59 1.54 3.38 -0.57 -0.84 115.31 118.91 2bkc h LEU 79 Ca 0.24 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2bkc h LEU 79 Cb 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2bkc h LEU 79 CO -0.04 1.00 -0.07 -0.33 0.09 0.00 0.00 178.44 179.08 2bkc h GLU 80 N 0.59 0.00 0.00 1.13 5.08 -1.18 -3.36 114.58 116.83 2bkc h GLU 80 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2bkc h GLU 80 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2bkc h GLU 80 CO 0.07 0.07 -0.99 0.09 -1.00 0.00 0.00 179.01 177.26 2bkc n ASN 81 N -3.24 4.94 -4.74 1.42 4.13 -1.11 -5.04 115.26 111.62 2bkc n ASN 81 Ca -0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 2bkc n ASN 81 Cb 0.30 0.99 -0.03 0.00 -1.54 0.00 0.00 39.78 39.50 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 -1.98 3.48 -0.15 5.41 0.00 -0.33 -4.89 121.76 123.30 2bkc s ALA 82 Ca 0.00 1.04 0.16 0.00 0.00 0.00 0.00 51.96 53.16 2bkc s ALA 82 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 2bkc s ALA 82 CO 0.00 -0.45 1.29 0.66 0.00 0.00 0.00 175.76 177.26 2bkc h SER 83 N 5.01 0.00 -2.80 0.00 4.64 -1.90 -3.46 113.55 115.04 2bkc h SER 83 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 2bkc h SER 83 Cb 1.21 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.35 2bkc h SER 83 CO 0.74 0.51 0.92 -0.69 -0.87 0.00 0.00 176.83 177.44 2bkc s VAL 84 N -2.96 2.41 0.00 0.95 1.01 -1.26 -5.00 120.40 115.55 2bkc s VAL 84 Ca 0.02 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 2bkc s VAL 84 Cb 0.08 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2bkc s VAL 84 CO 0.76 0.02 0.27 -1.61 0.00 0.00 0.00 175.10 174.54 2bkc s GLU 85 N 1.08 3.59 0.11 2.72 2.02 -1.26 -4.98 118.70 121.98 2bkc s GLU 85 Ca 0.71 -0.06 0.05 0.00 0.02 0.00 0.00 54.97 55.69 2bkc s GLU 85 Cb -0.46 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 2bkc s GLU 85 CO 0.32 0.66 -0.12 -1.83 0.02 0.00 0.00 175.26 174.31 2bkc s GLU 86 N -1.69 0.92 -0.02 1.61 -1.05 -1.26 -5.01 118.70 112.21 2bkc s GLU 86 Ca 0.27 -1.18 -0.06 0.00 -0.15 0.00 0.00 54.97 53.85 2bkc s GLU 86 Cb -0.13 -0.72 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 2bkc s GLU 86 CO 0.15 0.13 0.13 0.00 0.95 0.00 0.00 175.26 176.62 2bkc s ALA 87 N -2.21 -0.31 0.58 -0.84 0.00 -1.26 -5.15 121.76 112.57 2bkc s ALA 87 Ca 0.06 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 2bkc s ALA 87 Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2bkc s ALA 87 CO 0.02 -0.16 1.32 -2.14 0.00 0.00 0.00 175.76 174.80 2bkc s PRO 88 N -0.88 2.99 -1.02 0.00 0.02 -1.26 -4.89 135.00 129.95 2bkc s PRO 88 Ca -0.10 2.13 -0.18 0.00 0.02 0.00 0.00 61.00 62.86 2bkc s PRO 88 Cb -0.05 -2.12 0.12 0.00 0.02 0.00 0.00 34.50 32.47 2bkc s PRO 88 CO 0.01 -1.28 1.28 -0.47 -0.33 0.00 0.00 177.00 176.22 2bkc s TYR 89 N -1.37 3.07 -0.21 6.54 5.04 -1.26 -4.73 117.35 124.44 2bkc s TYR 89 Ca 0.75 -1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 53.76 2bkc s TYR 89 Cb -0.38 -4.39 -0.09 0.00 0.35 0.00 0.00 41.96 37.45 2bkc s TYR 89 CO 0.43 -1.57 -0.28 0.25 -1.34 0.00 0.00 175.55 173.04 2bkc n THR 90 N 5.62 1.50 -3.13 4.34 -2.24 -1.26 -4.85 114.28 114.25 2bkc n THR 90 Ca 0.30 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.63 2bkc n THR 90 Cb 0.48 -2.18 -0.07 0.00 -2.10 0.00 0.00 70.33 66.47 2bkc n THR 90 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2bkc s LYS 91 N -2.65 3.76 0.32 -0.78 2.47 -1.26 -5.06 119.74 116.54 2bkc s LYS 91 Ca -0.30 0.12 -0.23 0.00 -1.56 0.00 0.00 55.97 54.00 2bkc s LYS 91 Cb 0.08 -3.77 -0.15 0.00 -1.46 0.00 0.00 37.83 32.52 2bkc s LYS 91 CO 0.44 -0.65 0.23 -2.30 0.16 0.00 0.00 175.35 173.23 2bkc n PRO 92 N 5.93 0.00 -4.25 4.03 -0.01 -1.26 -5.03 135.00 134.41 2bkc n PRO 92 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 63.50 63.33 2bkc n PRO 92 Cb 0.49 -0.96 -0.10 0.00 -0.01 0.00 0.00 33.50 32.92 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 2bkc s LYS 93 N -0.96 1.05 0.80 -0.52 1.02 -1.26 -5.15 119.74 114.71 2bkc s LYS 93 Ca 0.59 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 2bkc s LYS 93 Cb -0.71 -0.67 0.07 0.00 -0.52 0.00 0.00 37.83 36.00 2bkc s LYS 93 CO 0.58 0.09 1.09 0.95 -0.92 0.00 0.00 175.35 177.14 2bkc s THR 94 N -3.09 3.21 0.34 2.17 -4.23 -1.26 -4.86 115.64 107.91 2bkc s THR 94 Ca 0.15 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 2bkc s THR 94 Cb 0.01 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.17 2bkc s THR 94 CO 0.01 -0.51 1.93 -0.03 -0.54 0.00 0.00 174.62 175.47 2bkc h MET 95 N -1.17 0.82 -0.36 3.99 4.05 -1.99 -1.42 114.93 118.86 2bkc h MET 95 Ca -0.46 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 58.90 2bkc h MET 95 Cb 1.25 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.85 2bkc h MET 95 CO 0.55 0.54 0.19 -0.44 0.23 0.00 0.00 176.91 177.98 2bkc h ASP 96 N 0.85 0.45 -0.74 1.39 5.19 -1.95 -1.30 116.42 120.30 2bkc h ASP 96 Ca 0.36 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.62 2bkc h ASP 96 Cb 0.31 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 2bkc h ASP 96 CO -0.14 0.43 0.26 1.56 -3.12 0.00 0.00 179.24 178.24 2bkc h GLN 97 N 0.45 1.14 -0.69 3.56 4.20 -1.75 0.17 115.11 122.18 2bkc h GLN 97 Ca 0.12 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2bkc h GLN 97 Cb 0.08 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2bkc h GLN 97 CO -0.02 0.95 0.32 -0.07 -0.67 0.00 0.00 178.83 179.33 2bkc h LEU 98 N 1.10 0.90 -0.37 1.46 3.38 -1.15 -1.78 115.31 118.85 2bkc h LEU 98 Ca 0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2bkc h LEU 98 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bkc h LEU 98 CO -0.01 0.78 -0.29 0.24 0.09 0.00 0.00 178.44 179.24 2bkc h MET 99 N 0.98 0.00 -0.18 1.13 2.86 -0.74 -1.54 114.93 117.44 2bkc h MET 99 Ca 0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2bkc h MET 99 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2bkc h MET 99 CO -0.03 0.29 -0.04 0.93 1.06 0.00 0.00 176.91 179.12 2bkc h GLU 100 N 0.00 0.35 -0.64 1.72 4.39 -0.63 -1.63 114.58 118.14 2bkc h GLU 100 Ca -0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2bkc h GLU 100 Cb 1.08 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 2bkc h GLU 100 CO 0.04 0.61 0.37 0.22 -1.16 0.00 0.00 179.01 179.09 2bkc h ASP 101 N 0.07 0.78 -0.16 1.42 3.58 -1.18 -0.43 116.42 120.49 2bkc h ASP 101 Ca 0.05 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.47 2bkc h ASP 101 Cb 0.48 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 2bkc h ASP 101 CO 0.02 0.63 -0.19 0.25 -2.88 0.00 0.00 179.24 177.07 2bkc h LEU 102 N 0.87 -0.60 -0.83 2.28 6.46 -1.26 -2.41 115.31 119.82 2bkc h LEU 102 Ca 0.23 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.97 2bkc h LEU 102 Cb 0.01 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2bkc h LEU 102 CO -0.04 -0.24 -0.46 0.58 -0.62 0.00 0.00 178.44 177.66 2bkc h VAL 103 N -0.23 1.33 -0.14 1.05 2.07 -1.04 -1.55 116.25 117.75 2bkc h VAL 103 Ca 0.11 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 2bkc h VAL 103 Cb 0.39 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2bkc h VAL 103 CO -0.29 0.50 -0.31 1.23 0.02 0.00 0.00 177.57 178.71 2bkc h GLY 104 N 1.27 0.29 1.21 2.17 0.00 -0.85 -1.18 103.07 105.97 2bkc h GLY 104 Ca 0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 47.33 46.86 2bkc h GLY 104 CO 0.07 0.22 -0.95 -0.84 0.00 0.00 0.00 176.54 175.04 2bkc h THR 105 N 0.23 1.28 -0.37 4.70 2.02 -0.93 -2.15 112.91 117.69 2bkc h THR 105 Ca 0.03 -2.15 -0.05 0.00 0.77 0.00 0.00 66.41 65.02 2bkc h THR 105 Cb 0.67 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2bkc h THR 105 CO 0.05 0.67 0.03 -0.07 0.37 0.00 0.00 175.52 176.57 2bkc h LEU 106 N 0.45 0.52 0.01 2.58 3.38 -1.11 -0.84 115.31 120.29 2bkc h LEU 106 Ca -0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2bkc h LEU 106 Cb 1.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2bkc h LEU 106 CO 0.19 0.57 -0.01 -0.33 0.09 0.00 0.00 178.44 178.95 2bkc h GLU 107 N 0.54 -0.01 -0.51 1.13 5.08 -1.16 0.42 114.58 120.07 2bkc h GLU 107 Ca 0.12 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2bkc h GLU 107 Cb 0.30 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2bkc h GLU 107 CO 0.01 0.19 0.05 1.25 -1.00 0.00 0.00 179.01 179.51 2bkc h LEU 108 N -0.22 -0.11 -0.60 1.33 6.46 -1.11 -1.79 115.31 119.26 2bkc h LEU 108 Ca -0.00 0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.76 2bkc h LEU 108 Cb 0.21 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2bkc h LEU 108 CO 0.00 -0.03 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.66 2bkc h LEU 109 N 0.17 1.04 -0.07 2.25 3.38 -0.94 -1.25 115.31 119.89 2bkc h LEU 109 Ca 0.26 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2bkc h LEU 109 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2bkc h LEU 109 CO -0.39 1.12 -0.09 -0.09 0.09 0.00 0.00 178.44 179.08 2bkc h ARG 110 N 0.94 -0.11 -0.46 1.13 2.43 -0.63 0.37 114.38 118.05 2bkc h ARG 110 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2bkc h ARG 110 Cb 0.62 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2bkc h ARG 110 CO 0.04 -0.08 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.95 2bkc h ASP 111 N -0.12 0.75 -0.34 -3.80 3.32 -1.29 -0.70 116.42 114.24 2bkc h ASP 111 Ca 0.06 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 2bkc h ASP 111 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2bkc h ASP 111 CO -0.14 0.84 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.58 2bkc h GLU 112 N 0.72 0.81 -0.12 3.56 5.08 -1.06 -2.64 114.58 120.93 2bkc h GLU 112 Ca 0.14 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2bkc h GLU 112 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2bkc h GLU 112 CO 0.02 1.05 -0.30 1.88 -1.00 0.00 0.00 179.01 180.67 2bkc h TYR 113 N 0.60 0.25 -0.34 4.33 -1.99 -0.70 -1.43 116.97 117.69 2bkc h TYR 113 Ca 0.06 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.77 2bkc h TYR 113 Cb 0.89 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.52 2bkc h TYR 113 CO 0.07 0.51 0.12 -0.22 -0.00 0.00 0.00 178.16 178.63 2bkc h LYS 114 N 0.20 0.25 -0.79 4.88 1.63 -1.04 0.26 116.57 121.97 2bkc h LYS 114 Ca 0.03 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2bkc h LYS 114 Cb 0.64 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 2bkc h LYS 114 CO 0.05 0.17 0.51 1.96 -3.45 0.00 0.00 179.45 178.68 2bkc h GLN 115 N 0.26 0.97 -0.02 1.90 4.20 -0.93 -2.16 115.11 119.34 2bkc h GLN 115 Ca 0.15 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2bkc h GLN 115 Cb 0.12 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2bkc h GLN 115 CO -0.16 0.64 -0.54 0.78 -0.67 0.00 0.00 178.83 178.88 2bkc h GLY 116 N 1.00 0.06 1.00 3.46 0.00 -1.00 -2.51 103.07 105.08 2bkc h GLY 116 Ca 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2bkc h GLY 116 CO -0.10 0.06 0.03 -2.22 0.00 0.00 0.00 176.54 174.31 2bkc h ILE 117 N 0.04 1.26 -0.27 2.60 2.04 0.05 -2.45 117.51 120.77 2bkc h ILE 117 Ca -0.00 -1.02 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 2bkc h ILE 117 Cb 0.97 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2bkc h ILE 117 CO 0.07 0.36 -0.40 -0.33 0.00 0.00 0.00 178.15 177.85 2bkc h GLU 118 N 0.73 0.66 -0.05 2.37 5.08 -1.32 -2.70 114.58 119.34 2bkc h GLU 118 Ca 0.15 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 2bkc h GLU 118 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2bkc h GLU 118 CO 0.02 0.94 -0.67 1.25 -1.00 0.00 0.00 179.01 179.55 2bkc h LEU 119 N 0.54 0.28 0.00 1.33 5.85 -1.40 -1.70 115.31 120.21 2bkc h LEU 119 Ca 0.04 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 2bkc h LEU 119 Cb 0.93 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2bkc h LEU 119 CO 0.08 0.87 -1.31 1.07 -0.34 0.00 0.00 178.44 178.81 2bkc n THR 120 N -3.82 0.97 -0.06 1.05 5.66 -0.93 -1.63 114.28 115.52 2bkc n THR 120 Ca -0.03 -0.64 -0.16 0.00 -3.05 0.00 0.00 64.05 60.17 2bkc n THR 120 Cb 0.67 -0.58 -0.06 0.00 -1.55 0.00 0.00 70.33 68.81 2bkc n THR 120 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2bkc h ASP 121 N 0.00 0.95 -0.77 1.09 1.82 -1.44 0.14 116.42 118.20 2bkc h ASP 121 Ca -0.11 -0.57 -0.05 0.00 -0.39 0.00 0.00 57.03 55.91 2bkc h ASP 121 Cb 1.38 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 2bkc h ASP 121 CO 0.03 1.35 0.27 0.11 -1.61 0.00 0.00 179.24 179.39 2bkc h LYS 122 N 0.59 1.17 -0.00 0.28 1.57 -1.18 -2.92 116.57 116.08 2bkc h LYS 122 Ca -0.01 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2bkc h LYS 122 Cb 1.24 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2bkc h LYS 122 CO 0.13 0.97 -0.01 0.39 -0.57 0.00 0.00 179.45 180.37 2bkc n GLU 123 N -4.27 0.97 -1.84 3.15 1.02 -0.64 -4.91 120.64 114.12 2bkc n GLU 123 Ca 0.07 -0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 2bkc n GLU 123 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.08 0.71 3.47 0.62 0.00 -0.96 -4.93 105.19 105.17 2bkc n GLY 124 Ca 0.21 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 2bkc n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bkc n ASP 125 N -0.67 5.17 -0.24 1.61 4.64 -0.00 -4.87 116.55 122.19 2bkc n ASP 125 Ca -0.17 -2.97 0.04 0.00 -1.38 0.00 0.00 54.79 50.31 2bkc n ASP 125 Cb 0.56 -1.60 0.27 0.00 -1.04 0.00 0.00 41.12 39.32 2bkc n ASP 125 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 2bkc h ASP 126 N 7.17 0.83 -0.27 1.67 3.32 -1.92 -2.31 116.42 124.90 2bkc h ASP 126 Ca 0.34 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.30 2bkc h ASP 126 Cb 0.87 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2bkc h ASP 126 CO 1.29 0.56 -0.17 0.58 -1.72 0.00 0.00 179.24 179.77 2bkc h VAL 127 N 0.95 1.30 -0.30 -1.35 2.07 -1.95 -1.61 116.25 115.37 2bkc h VAL 127 Ca 0.33 -1.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.38 2bkc h VAL 127 Cb 0.11 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2bkc h VAL 127 CO -0.11 0.41 -0.49 0.74 0.02 0.00 0.00 177.57 178.14 2bkc h THR 128 N 0.34 1.28 -0.10 2.57 2.02 -1.90 -0.53 112.91 116.60 2bkc h THR 128 Ca 0.06 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.59 2bkc h THR 128 Cb 0.71 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 2bkc h THR 128 CO 0.05 0.55 -0.49 -1.13 0.37 0.00 0.00 175.52 174.87 2bkc h ASN 129 N 0.66 -1.53 -0.45 4.18 -0.73 -1.45 -1.36 115.58 114.90 2bkc h ASN 129 Ca 0.03 0.19 -0.05 0.00 1.87 0.00 0.00 56.30 58.34 2bkc h ASN 129 Cb 1.08 0.60 -0.02 0.00 0.27 0.00 0.00 38.32 40.25 2bkc h ASN 129 CO 0.11 -0.47 0.12 -0.78 -0.37 0.00 0.00 177.43 176.04 2bkc h ASP 130 N -0.57 0.73 -0.39 1.15 3.58 -1.05 -1.91 116.42 117.96 2bkc h ASP 130 Ca 0.05 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2bkc h ASP 130 Cb 0.67 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2bkc h ASP 130 CO -0.40 0.72 0.23 -0.03 -2.88 0.00 0.00 179.24 176.88 2bkc h MET 131 N 0.76 0.53 -0.31 0.28 4.05 -0.88 -2.79 114.93 116.56 2bkc h MET 131 Ca 0.17 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 2bkc h MET 131 Cb 0.28 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2bkc h MET 131 CO -0.00 0.40 -0.16 -0.07 0.23 0.00 0.00 176.91 177.31 2bkc h LEU 132 N 0.51 0.54 -0.31 3.39 4.07 -0.68 -2.30 115.31 120.53 2bkc h LEU 132 Ca 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2bkc h LEU 132 Cb 0.01 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 2bkc h LEU 132 CO -0.03 0.72 0.15 0.40 -1.08 0.00 0.00 178.44 178.60 2bkc h ILE 133 N 0.50 1.16 -0.87 1.22 2.04 -1.28 0.07 117.51 120.35 2bkc h ILE 133 Ca 0.09 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2bkc h ILE 133 Cb 0.56 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2bkc h ILE 133 CO 0.04 0.16 0.48 0.00 0.00 0.00 0.00 178.15 178.83 2bkc h ALA 134 N 1.00 1.11 -0.40 1.87 0.00 -1.27 -0.12 119.26 121.46 2bkc h ALA 134 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2bkc h ALA 134 Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2bkc h ALA 134 CO -0.01 0.61 0.05 0.74 0.00 0.00 0.00 179.25 180.64 2bkc h PHE 135 N 1.21 0.72 -0.15 0.00 0.05 -1.27 -2.73 116.94 114.76 2bkc h PHE 135 Ca 0.31 -0.11 0.03 0.00 3.82 0.00 0.00 57.97 62.02 2bkc h PHE 135 Cb 0.02 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 2bkc h PHE 135 CO 0.01 0.71 0.11 -0.22 -0.18 0.00 0.00 178.31 178.74 2bkc h LYS 136 N 0.51 0.05 -0.32 1.51 3.64 -0.21 -2.02 116.57 119.73 2bkc h LYS 136 Ca 0.12 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.32 2bkc h LYS 136 Cb 0.39 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2bkc h LYS 136 CO 0.01 0.03 -0.50 0.00 -2.27 0.00 0.00 179.45 176.72 2bkc h ALA 137 N 1.92 0.50 -0.18 5.00 0.00 -0.73 -1.88 119.26 123.89 2bkc h ALA 137 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2bkc h ALA 137 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bkc h ALA 137 CO -0.01 0.68 -0.14 1.03 0.00 0.00 0.00 179.25 180.82 2bkc h SER 138 N 0.70 0.43 -0.96 0.00 0.87 -1.41 -2.38 113.55 110.81 2bkc h SER 138 Ca 0.03 -0.45 0.06 0.00 -1.23 0.00 0.00 61.79 60.19 2bkc h SER 138 Cb 1.11 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.88 2bkc h SER 138 CO 0.11 0.79 0.62 0.40 -0.53 0.00 0.00 176.83 178.22 2bkc h ILE 139 N 0.08 1.10 -0.28 2.23 2.04 -1.35 -0.63 117.51 120.71 2bkc h ILE 139 Ca 0.03 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 2bkc h ILE 139 Cb 0.65 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2bkc h ILE 139 CO 0.04 0.21 -0.25 0.44 0.00 0.00 0.00 178.15 178.59 2bkc h ASP 140 N 1.14 0.54 -0.22 1.72 3.32 -1.20 -0.92 116.42 120.81 2bkc h ASP 140 Ca 0.40 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2bkc h ASP 140 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2bkc h ASP 140 CO -0.16 0.78 0.06 0.50 -1.72 0.00 0.00 179.24 178.71 2bkc h LYS 141 N 0.47 0.35 -0.19 3.56 3.64 -0.83 -2.16 116.57 121.41 2bkc h LYS 141 Ca 0.07 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2bkc h LYS 141 Cb 0.68 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2bkc h LYS 141 CO 0.05 0.45 0.04 0.45 -2.27 0.00 0.00 179.45 178.17 2bkc h HIS 142 N 0.19 0.26 -0.22 1.91 3.86 -0.79 -2.15 115.15 118.20 2bkc h HIS 142 Ca 0.07 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 2bkc h HIS 142 Cb 0.25 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 2bkc h HIS 142 CO 0.01 0.24 -0.28 0.82 0.86 0.00 0.00 177.93 179.57 2bkc h ILE 143 N 0.26 1.32 -0.02 2.45 2.04 -1.01 -1.28 117.51 121.27 2bkc h ILE 143 Ca 0.07 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.48 2bkc h ILE 143 Cb 0.12 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2bkc h ILE 143 CO -0.00 0.46 -0.23 -0.25 0.00 0.00 0.00 178.15 178.13 2bkc h TRP 144 N 0.27 -0.61 0.09 1.37 7.01 -1.14 -2.13 115.95 120.81 2bkc h TRP 144 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2bkc h TRP 144 Cb 0.86 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 2bkc h TRP 144 CO 0.08 -0.32 -0.05 0.52 -2.79 0.00 0.00 178.44 175.89 2bkc h MET 145 N -0.35 -0.12 -0.10 2.65 2.86 -1.29 0.11 114.93 118.69 2bkc h MET 145 Ca 0.07 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 2bkc h MET 145 Cb 0.44 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2bkc h MET 145 CO -0.22 -0.00 -0.46 0.74 1.06 0.00 0.00 176.91 178.02 2bkc h PHE 146 N -0.21 0.28 -0.43 -0.22 -1.00 -1.30 0.52 116.94 114.58 2bkc h PHE 146 Ca -0.01 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2bkc h PHE 146 Cb 0.17 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2bkc h PHE 146 CO -0.04 0.65 0.23 0.87 -1.61 0.00 0.00 178.31 178.42 2bkc h LYS 147 N 0.19 0.59 -0.85 1.51 1.79 -1.16 -2.15 116.57 116.49 2bkc h LYS 147 Ca 0.01 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2bkc h LYS 147 Cb 0.89 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 2bkc h LYS 147 CO 0.07 0.47 0.54 0.00 -1.08 0.00 0.00 179.45 179.45 2bkc h ALA 148 N 1.09 1.15 -0.36 3.86 0.00 -0.20 0.69 119.26 125.49 2bkc h ALA 148 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2bkc h ALA 148 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2bkc h ALA 148 CO -0.02 0.32 0.24 0.35 0.00 0.00 0.00 179.25 180.13 2bkc h PHE 149 N 1.00 0.38 -0.20 0.00 3.57 -0.54 -1.73 116.94 119.42 2bkc h PHE 149 Ca 0.36 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2bkc h PHE 149 Cb 0.11 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2bkc h PHE 149 CO -0.03 0.23 0.00 1.28 -2.23 0.00 0.00 178.31 177.56 2bkc n LEU 150 N -4.49 1.70 -0.31 0.59 4.77 -0.73 -4.92 117.00 113.61 2bkc n LEU 150 Ca 0.03 -0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 55.23 2bkc n LEU 150 Cb 0.13 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2bkc n LEU 150 CO 0.35 0.37 -0.04 0.61 -1.33 0.00 0.00 177.39 177.35 2bkc n GLY 151 N 1.11 0.69 3.48 -0.72 0.00 -0.65 -5.05 105.19 104.05 2bkc n GLY 151 Ca 0.15 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.32 1.68 0.63 1.61 1.02 0.16 -4.99 119.74 117.52 2bkc s LYS 152 Ca 0.00 -1.83 -0.14 0.00 0.02 0.00 0.00 55.97 54.02 2bkc s LYS 152 Cb 0.00 -1.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 2bkc s LYS 152 CO 0.00 0.16 1.05 0.00 -0.92 0.00 0.00 175.35 175.64 2bkc s ALA 153 N -2.72 2.73 0.19 5.17 0.00 -1.26 -2.85 121.76 123.02 2bkc s ALA 153 Ca 0.30 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 2bkc s ALA 153 Cb 0.01 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 20.09 2bkc s ALA 153 CO 0.14 -0.94 1.65 -1.00 0.00 0.00 0.00 175.76 175.60 2bkc h PRO 154 N 0.00 0.00 0.00 0.00 0.13 -1.86 -3.11 132.00 127.17 2bkc h PRO 154 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bkc h PRO 154 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2bkc h PRO 154 CO 0.57 0.00 -1.42 1.28 -0.23 0.00 0.00 178.00 178.20 2bkc n LEU 155 N -5.37 0.45 0.00 1.56 4.77 -1.26 -4.83 117.00 112.31 2bkc n LEU 155 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2bkc n LEU 155 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2bkc n LEU 155 CO 0.10 0.02 0.00 1.21 -1.33 0.00 0.00 177.39 177.39