#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 5.02 0.28 -1.34 1.47 -1.26 -4.91 116.67 115.92 2bkc s ASP 8 Ca 0.00 -0.92 0.01 0.00 1.18 0.00 0.00 52.55 52.82 2bkc s ASP 8 Cb 0.00 0.34 0.55 0.00 -0.34 0.00 0.00 42.92 43.47 2bkc s ASP 8 CO 0.00 -1.32 1.81 0.74 0.68 0.00 0.00 175.17 177.08 2bkc h THR 9 N 0.26 0.84 0.19 2.11 2.02 -1.99 -1.47 112.91 114.88 2bkc h THR 9 Ca -0.31 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2bkc h THR 9 Cb 1.29 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2bkc h THR 9 CO 0.43 0.15 -0.09 0.11 0.37 0.00 0.00 175.52 176.50 2bkc h LYS 10 N 0.85 -0.24 0.00 6.66 1.57 -1.96 -2.37 116.57 121.08 2bkc h LYS 10 Ca 0.49 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.24 2bkc h LYS 10 Cb 0.57 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2bkc h LYS 10 CO -0.30 -0.06 -0.20 0.93 -0.57 0.00 0.00 179.45 179.25 2bkc h GLU 11 N -0.38 0.00 0.04 3.15 5.08 -1.87 -1.82 114.58 118.78 2bkc h GLU 11 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bkc h GLU 11 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2bkc h GLU 11 CO 0.04 0.20 -0.02 0.35 -1.00 0.00 0.00 179.01 178.58 2bkc h PHE 12 N 0.00 -0.05 -0.66 4.33 3.57 -1.07 -1.98 116.94 121.08 2bkc h PHE 12 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2bkc h PHE 12 Cb 0.45 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2bkc h PHE 12 CO 0.00 0.47 0.35 -0.07 -2.23 0.00 0.00 178.31 176.83 2bkc h LEU 13 N -0.61 0.51 -1.00 0.59 4.07 -1.39 -1.56 115.31 115.92 2bkc h LEU 13 Ca -0.01 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.90 2bkc h LEU 13 Cb 0.54 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2bkc h LEU 13 CO 0.01 0.32 -0.27 -1.13 -1.08 0.00 0.00 178.44 176.29 2bkc h ASN 14 N 0.64 0.40 -0.44 -0.43 -0.73 -1.34 0.72 115.58 114.40 2bkc h ASN 14 Ca 0.30 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2bkc h ASN 14 Cb 0.22 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2bkc h ASN 14 CO -0.20 0.67 0.16 -0.74 -0.37 0.00 0.00 177.43 176.95 2bkc h HIS 15 N 0.35 0.73 0.00 0.67 2.76 -0.67 -2.33 115.15 116.67 2bkc h HIS 15 Ca 0.05 -0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 2bkc h HIS 15 Cb 0.66 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2bkc h HIS 15 CO 0.02 0.60 -0.80 1.96 -1.30 0.00 0.00 177.93 178.41 2bkc h GLN 16 N 0.71 0.00 -0.90 5.26 1.08 -0.40 -1.69 115.11 119.18 2bkc h GLN 16 Ca 0.17 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2bkc h GLN 16 Cb 0.20 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.57 2bkc h GLN 16 CO -0.01 0.80 0.59 0.28 -0.95 0.00 0.00 178.83 179.53 2bkc h VAL 17 N 0.00 1.12 0.12 -0.54 2.07 -0.61 -1.00 116.25 117.40 2bkc h VAL 17 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2bkc h VAL 17 Cb 1.54 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2bkc h VAL 17 CO 0.10 0.20 -0.06 0.00 0.02 0.00 0.00 177.57 177.84 2bkc h ALA 18 N 1.49 -0.16 -0.81 1.67 0.00 -1.11 -2.96 119.26 117.38 2bkc h ALA 18 Ca 0.37 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2bkc h ALA 18 Cb 0.08 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2bkc h ALA 18 CO -0.12 -0.40 0.44 -0.91 0.00 0.00 0.00 179.25 178.26 2bkc h ASN 19 N -0.53 0.59 0.22 0.00 2.35 -1.20 -2.45 115.58 114.56 2bkc h ASN 19 Ca -0.02 0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 2bkc h ASN 19 Cb 0.43 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2bkc h ASN 19 CO 0.03 0.32 -0.66 -0.07 -1.65 0.00 0.00 177.43 175.39 2bkc h LEU 20 N 0.71 0.47 -0.92 1.61 -0.00 -1.20 -0.52 115.31 115.46 2bkc h LEU 20 Ca 0.41 -0.29 -0.10 0.00 -0.00 0.00 0.00 57.88 57.90 2bkc h LEU 20 Cb 0.45 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2bkc h LEU 20 CO -0.28 1.00 -0.28 0.78 -0.00 0.00 0.00 178.44 179.65 2bkc h ASN 21 N 0.29 0.46 -0.04 -0.43 2.35 -1.32 -1.41 115.58 115.49 2bkc h ASN 21 Ca -0.02 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.41 2bkc h ASN 21 Cb 1.21 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2bkc h ASN 21 CO 0.11 0.73 -0.50 0.58 -1.65 0.00 0.00 177.43 176.70 2bkc h VAL 22 N 0.40 1.31 -0.25 2.81 2.07 -0.95 -3.06 116.25 118.58 2bkc h VAL 22 Ca 0.05 -1.72 -0.15 0.00 0.82 0.00 0.00 66.70 65.70 2bkc h VAL 22 Cb 0.70 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2bkc h VAL 22 CO 0.05 0.54 -0.42 0.15 0.02 0.00 0.00 177.57 177.91 2bkc h PHE 23 N 0.48 0.91 -0.59 1.57 3.57 -0.83 -1.11 116.94 120.93 2bkc h PHE 23 Ca 0.02 -0.32 0.02 0.00 3.53 0.00 0.00 57.97 61.22 2bkc h PHE 23 Cb 1.05 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 2bkc h PHE 23 CO 0.05 1.10 0.37 1.15 -2.23 0.00 0.00 178.31 178.75 2bkc h THR 24 N 0.46 1.10 -0.17 4.41 2.02 -1.36 0.98 112.91 120.35 2bkc h THR 24 Ca 0.02 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 2bkc h THR 24 Cb 1.02 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2bkc h THR 24 CO 0.10 0.14 -0.34 0.58 0.37 0.00 0.00 175.52 176.36 2bkc h VAL 25 N 0.75 1.29 -0.06 3.16 2.07 -1.45 -2.46 116.25 119.55 2bkc h VAL 25 Ca 0.23 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 2bkc h VAL 25 Cb -0.02 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2bkc h VAL 25 CO -0.08 0.43 -0.26 0.50 0.02 0.00 0.00 177.57 178.18 2bkc h LYS 26 N 0.31 0.10 -0.48 1.57 3.64 -0.36 -1.64 116.57 119.71 2bkc h LYS 26 Ca 0.04 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2bkc h LYS 26 Cb 0.76 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2bkc h LYS 26 CO 0.06 0.36 -0.22 0.82 -2.27 0.00 0.00 179.45 178.20 2bkc h ILE 27 N 0.09 1.27 -0.68 2.00 2.04 -0.40 -1.77 117.51 120.07 2bkc h ILE 27 Ca 0.01 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.52 2bkc h ILE 27 Cb 0.51 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2bkc h ILE 27 CO 0.04 0.48 0.42 0.45 0.00 0.00 0.00 178.15 179.54 2bkc h HIS 28 N 0.84 0.80 -0.60 1.37 3.86 -1.29 -0.58 115.15 119.54 2bkc h HIS 28 Ca 0.11 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 2bkc h HIS 28 Cb 0.80 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 2bkc h HIS 28 CO 0.05 0.46 0.33 0.37 0.86 0.00 0.00 177.93 180.00 2bkc h GLN 29 N 0.83 0.60 -0.07 2.45 4.15 -1.04 0.03 115.11 122.06 2bkc h GLN 29 Ca 0.27 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 2bkc h GLN 29 Cb 0.01 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 2bkc h GLN 29 CO -0.10 0.39 0.01 0.82 -1.93 0.00 0.00 178.83 178.02 2bkc h ILE 30 N 0.61 1.23 -0.45 2.39 2.04 -1.05 -2.58 117.51 119.70 2bkc h ILE 30 Ca 0.27 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.48 2bkc h ILE 30 Cb 0.16 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2bkc h ILE 30 CO -0.17 0.20 0.08 -0.74 0.00 0.00 0.00 178.15 177.52 2bkc h HIS 31 N -0.14 0.12 -0.25 1.37 2.76 -0.81 -2.21 115.15 116.00 2bkc h HIS 31 Ca 0.02 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.08 2bkc h HIS 31 Cb 0.31 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 2bkc h HIS 31 CO 0.03 -0.01 -0.41 -1.49 -1.30 0.00 0.00 177.93 174.74 2bkc h TRP 32 N 0.21 0.70 -0.02 5.26 6.55 -0.90 -3.28 115.95 124.47 2bkc h TRP 32 Ca 0.22 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2bkc h TRP 32 Cb 0.29 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 2bkc h TRP 32 CO -0.23 0.90 -0.19 0.66 -1.05 0.00 0.00 178.44 178.54 2bkc n TYR 33 N -4.03 0.00 -2.01 0.49 4.02 -0.98 -5.00 117.16 109.65 2bkc n TYR 33 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 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 -1.76 4.24 0.16 -0.72 0.23 -0.84 -4.97 119.30 115.64 2bkc s MET 34 Ca 0.17 2.32 0.05 0.00 -1.03 0.00 0.00 55.69 57.20 2bkc s MET 34 Cb 0.14 -3.00 -0.05 0.00 -1.53 0.00 0.00 34.83 30.39 2bkc s MET 34 CO 0.33 -0.33 -0.10 1.03 -2.03 0.00 0.00 175.02 173.92 2bkc s ARG 35 N -1.93 1.13 0.00 3.16 0.52 -1.26 -4.97 118.95 115.59 2bkc s ARG 35 Ca 0.51 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2bkc s ARG 35 Cb -0.42 -0.72 0.00 0.00 0.52 0.00 0.00 34.95 34.34 2bkc s ARG 35 CO 0.56 0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.37 2bkc n GLY 36 N -0.24 -0.19 0.28 -3.53 0.00 -1.26 -4.43 105.19 95.82 2bkc n GLY 36 Ca -0.10 -2.28 0.15 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.51 1.61 3.86 -2.06 -0.99 115.15 117.06 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 0.08 0.00 0.09 0.86 0.00 0.00 177.93 178.96 2bkc n ASN 38 N -3.47 3.82 -0.29 2.45 4.13 -1.26 -4.61 115.26 116.03 2bkc n ASN 38 Ca -0.02 -2.34 0.07 0.00 1.68 0.00 0.00 54.58 53.98 2bkc n ASN 38 Cb 0.22 -0.51 0.18 0.00 -1.54 0.00 0.00 39.78 38.13 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 3.23 -0.17 0.02 3.10 3.57 -1.46 -0.39 116.94 124.85 2bkc h PHE 39 Ca 0.00 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2bkc h PHE 39 Cb 1.18 0.21 0.01 0.00 2.79 0.00 0.00 35.95 40.14 2bkc h PHE 39 CO 0.60 -0.33 -0.24 0.74 -2.23 0.00 0.00 178.31 176.85 2bkc h PHE 40 N 0.05 0.20 -0.05 0.41 -1.00 -1.84 -1.95 116.94 112.76 2bkc h PHE 40 Ca 0.46 -0.13 -0.19 0.00 2.81 0.00 0.00 57.97 60.93 2bkc h PHE 40 Cb 0.83 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.38 2bkc h PHE 40 CO -0.52 1.01 -0.69 1.79 -1.61 0.00 0.00 178.31 178.29 2bkc h THR 41 N -0.67 1.36 -0.29 -1.55 1.35 -1.83 -2.56 112.91 108.72 2bkc h THR 41 Ca -0.04 -2.03 -0.17 0.00 -0.55 0.00 0.00 66.41 63.63 2bkc h THR 41 Cb 1.09 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.86 2bkc h THR 41 CO 0.05 0.61 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.37 2bkc h LEU 42 N 0.16 0.86 -0.95 3.87 4.07 -1.24 -2.60 115.31 119.47 2bkc h LEU 42 Ca -0.07 -0.44 0.28 0.00 0.08 0.00 0.00 57.88 57.73 2bkc h LEU 42 Cb 1.36 -0.25 -0.14 0.00 1.08 0.00 0.00 40.66 42.71 2bkc h LEU 42 CO 0.14 1.20 0.43 1.23 -1.08 0.00 0.00 178.44 180.36 2bkc h GLY 43 N 0.84 1.76 1.72 0.83 0.00 -1.29 0.18 103.07 107.11 2bkc h GLY 43 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 46.97 2bkc h GLY 43 CO 0.11 -0.42 -1.02 0.83 0.00 0.00 0.00 176.54 176.04 2bkc h GLU 44 N 0.30 0.23 -0.63 4.80 5.08 -1.35 -2.42 114.58 120.59 2bkc h GLU 44 Ca 0.65 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2bkc h GLU 44 Cb 1.39 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2bkc h GLU 44 CO -0.62 1.07 0.22 0.87 -1.00 0.00 0.00 179.01 179.55 2bkc h LYS 45 N 0.11 0.95 -0.38 2.33 6.56 -0.75 -1.81 116.57 123.57 2bkc h LYS 45 Ca -0.07 -0.17 -0.08 0.00 -1.06 0.00 0.00 60.65 59.27 2bkc h LYS 45 Cb 1.69 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 33.18 2bkc h LYS 45 CO 0.16 0.80 -0.08 0.52 -2.06 0.00 0.00 179.45 178.79 2bkc h MET 46 N 0.92 0.65 -0.28 3.15 2.86 -0.57 -1.75 114.93 119.92 2bkc h MET 46 Ca 0.21 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2bkc h MET 46 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2bkc h MET 46 CO -0.01 0.72 0.09 -0.44 1.06 0.00 0.00 176.91 178.33 2bkc h ASP 47 N 0.60 0.08 -0.32 1.22 3.32 -0.92 0.17 116.42 120.58 2bkc h ASP 47 Ca 0.11 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2bkc h ASP 47 Cb 0.49 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2bkc h ASP 47 CO 0.03 0.08 0.04 0.44 -1.72 0.00 0.00 179.24 178.10 2bkc h ASP 48 N 0.20 0.59 0.04 6.45 3.32 -1.01 -2.18 116.42 123.83 2bkc h ASP 48 Ca 0.13 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2bkc h ASP 48 Cb 0.11 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.51 2bkc h ASP 48 CO -0.14 0.64 -0.65 0.25 -1.72 0.00 0.00 179.24 177.62 2bkc h LEU 49 N 0.61 0.51 -0.51 1.55 5.85 -0.95 -0.65 115.31 121.72 2bkc h LEU 49 Ca 0.13 -0.81 0.07 0.00 0.84 0.00 0.00 57.88 58.11 2bkc h LEU 49 Cb 0.33 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2bkc h LEU 49 CO 0.01 1.26 0.19 0.22 -0.34 0.00 0.00 178.44 179.77 2bkc h TYR 50 N -0.18 0.33 0.00 1.25 5.03 -0.54 0.18 116.97 123.04 2bkc h TYR 50 Ca -0.09 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.07 2bkc h TYR 50 Cb 1.39 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.58 2bkc h TYR 50 CO 0.16 0.11 -0.82 0.66 -1.32 0.00 0.00 178.16 176.95 2bkc h SER 51 N 0.37 0.02 0.01 -2.11 4.64 -1.35 -2.44 113.55 112.69 2bkc h SER 51 Ca 0.24 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2bkc h SER 51 Cb 0.26 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2bkc h SER 51 CO -0.25 0.83 -0.00 -0.08 -0.87 0.00 0.00 176.83 176.46 2bkc h GLU 52 N 0.01 -0.01 0.00 4.77 4.81 -0.43 -1.64 114.58 122.09 2bkc h GLU 52 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2bkc h GLU 52 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 2bkc h GLU 52 CO 0.11 0.36 -0.13 0.74 -0.73 0.00 0.00 179.01 179.36 2bkc h PHE 53 N -0.38 0.00 -0.61 0.92 -1.00 -1.07 -1.69 116.94 113.10 2bkc h PHE 53 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2bkc h PHE 53 Cb 0.38 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 2bkc h PHE 53 CO 0.05 0.13 0.30 0.78 -1.61 0.00 0.00 178.31 177.97 2bkc h GLY 54 N 2.12 0.94 1.10 -1.45 0.00 -1.33 -1.01 103.07 103.45 2bkc h GLY 54 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 2bkc h GLY 54 CO 0.02 0.44 -0.09 0.83 0.00 0.00 0.00 176.54 177.73 2bkc h GLU 55 N 0.84 1.05 -0.57 4.80 4.39 -0.81 -2.05 114.58 122.22 2bkc h GLU 55 Ca 0.21 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.53 2bkc h GLU 55 Cb 0.11 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2bkc h GLU 55 CO -0.03 1.08 0.38 1.96 -1.16 0.00 0.00 179.01 181.24 2bkc h GLN 56 N 0.94 0.75 0.02 2.33 4.20 -1.14 0.41 115.11 122.62 2bkc h GLN 56 Ca 0.15 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2bkc h GLN 56 Cb 0.67 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2bkc h GLN 56 CO 0.05 0.50 -0.01 1.98 -0.67 0.00 0.00 178.83 180.67 2bkc h MET 57 N 0.77 -0.03 -0.84 1.46 4.05 -1.00 -0.62 114.93 118.73 2bkc h MET 57 Ca 0.21 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.72 2bkc h MET 57 Cb -0.08 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.65 2bkc h MET 57 CO -0.05 0.01 0.49 0.22 0.23 0.00 0.00 176.91 177.82 2bkc h ASP 58 N -0.06 0.73 0.14 1.39 -0.00 -1.09 -0.51 116.42 117.01 2bkc h ASP 58 Ca -0.00 0.04 -0.12 0.00 -0.00 0.00 0.00 57.03 56.95 2bkc h ASP 58 Cb 0.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 2bkc h ASP 58 CO 0.00 0.43 -0.41 -0.33 -0.00 0.00 0.00 179.24 178.93 2bkc h GLU 59 N 0.84 0.35 -0.20 0.28 5.08 -0.49 -1.85 114.58 118.60 2bkc h GLU 59 Ca 0.40 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2bkc h GLU 59 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2bkc h GLU 59 CO -0.23 0.71 -0.18 0.28 -1.00 0.00 0.00 179.01 178.59 2bkc h VAL 60 N 0.29 1.33 -0.62 3.13 2.07 -0.47 -1.89 116.25 120.09 2bkc h VAL 60 Ca 0.03 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 2bkc h VAL 60 Cb 0.86 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2bkc h VAL 60 CO 0.07 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.26 2bkc h ALA 61 N 0.65 0.81 -0.19 1.67 0.00 -1.07 -0.62 119.26 120.51 2bkc h ALA 61 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2bkc h ALA 61 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bkc h ALA 61 CO 0.05 0.49 -0.51 0.93 0.00 0.00 0.00 179.25 180.20 2bkc h GLU 62 N 0.89 0.53 -0.49 0.00 5.08 -1.35 -0.60 114.58 118.64 2bkc h GLU 62 Ca 0.20 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 2bkc h GLU 62 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2bkc h GLU 62 CO -0.01 0.91 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.77 2bkc h ARG 63 N 0.41 0.86 -0.44 2.33 9.65 -1.13 -1.12 114.38 124.93 2bkc h ARG 63 Ca 0.02 -0.27 -0.12 0.00 -1.10 0.00 0.00 59.98 58.51 2bkc h ARG 63 Cb 1.04 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 2bkc h ARG 63 CO 0.10 0.89 -0.19 1.25 2.80 0.00 0.00 179.97 184.82 2bkc h LEU 64 N 0.78 0.93 -0.72 3.80 5.85 -0.93 -2.24 115.31 122.78 2bkc h LEU 64 Ca 0.14 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2bkc h LEU 64 Cb 0.54 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2bkc h LEU 64 CO 0.03 1.12 0.40 -0.07 -0.34 0.00 0.00 178.44 179.58 2bkc h LEU 65 N 0.75 0.58 -0.02 2.25 -0.00 -0.94 -0.50 115.31 117.43 2bkc h LEU 65 Ca 0.10 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2bkc h LEU 65 Cb 0.75 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2bkc h LEU 65 CO 0.06 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.86 2bkc n ALA 66 N -2.37 2.16 -0.70 1.53 0.00 -0.44 -2.35 120.51 118.33 2bkc n ALA 66 Ca 0.10 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2bkc n ALA 66 Cb 0.21 -1.42 0.28 0.00 0.00 0.00 0.00 19.45 18.53 2bkc n ALA 66 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2bkc n ILE 67 N -1.60 1.93 -0.44 0.00 -5.35 -1.00 -4.97 119.36 107.93 2bkc n ILE 67 Ca 0.06 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 2bkc n ILE 67 Cb 0.31 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2bkc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkc n GLY 68 N 0.28 0.86 3.90 3.28 0.00 -0.99 -5.05 105.19 107.47 2bkc n GLY 68 Ca 0.21 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.16 1.79 2.70 -0.02 0.00 -0.21 -5.02 105.19 102.27 2bkc n GLY 69 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.65 3.70 0.27 1.61 0.01 -1.26 -4.40 113.70 108.98 2bkc s SER 70 Ca 0.62 -1.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.19 2bkc s SER 70 Cb -0.05 -0.71 -0.10 0.00 0.21 0.00 0.00 66.02 65.38 2bkc s SER 70 CO 0.39 -0.40 1.25 -2.16 0.41 0.00 0.00 173.24 172.74 2bkc s PRO 71 N 1.76 4.44 0.38 12.44 0.04 -1.26 -4.98 135.00 147.82 2bkc s PRO 71 Ca 0.07 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 2bkc s PRO 71 Cb -0.17 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.10 2bkc s PRO 71 CO -0.24 -0.10 0.87 1.19 0.04 0.00 0.00 177.00 178.76 2bkc n PHE 72 N 1.54 0.69 -2.40 0.56 0.99 -1.26 -4.94 117.46 112.63 2bkc n PHE 72 Ca 0.02 0.63 -0.02 0.00 -0.00 0.00 0.00 57.45 58.07 2bkc n PHE 72 Cb 0.43 -2.16 0.02 0.00 -1.00 0.00 0.00 39.48 36.77 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 0.96 -0.29 -3.92 4.37 3.41 -1.26 -4.97 113.62 111.92 2bkc n SER 73 Ca 0.10 -2.06 -0.09 0.00 -0.26 0.00 0.00 58.87 56.57 2bkc n SER 73 Cb 0.37 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.51 0.16 0.25 6.66 -4.23 -1.26 -5.05 115.64 111.65 2bkc s THR 74 Ca 0.14 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2bkc s THR 74 Cb 0.24 -1.27 0.23 0.00 1.34 0.00 0.00 72.50 73.04 2bkc s THR 74 CO -0.08 -0.71 1.86 -0.07 -0.54 0.00 0.00 174.62 175.09 2bkc h LEU 75 N 3.04 0.90 -0.65 4.79 4.07 -1.99 -2.02 115.31 123.45 2bkc h LEU 75 Ca -0.34 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 2bkc h LEU 75 Cb 1.18 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 2bkc h LEU 75 CO 0.57 0.57 0.37 0.50 -1.08 0.00 0.00 178.44 179.37 2bkc h LYS 76 N 1.03 0.90 -0.39 1.13 3.64 -1.99 -0.01 116.57 120.89 2bkc h LYS 76 Ca 0.39 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.54 2bkc h LYS 76 Cb 0.18 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2bkc h LYS 76 CO -0.18 0.66 -0.31 0.93 -2.27 0.00 0.00 179.45 178.29 2bkc h GLU 77 N 0.89 0.89 -0.35 1.90 5.08 -1.88 -1.63 114.58 119.47 2bkc h GLU 77 Ca 0.23 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2bkc h GLU 77 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2bkc h GLU 77 CO -0.04 1.09 0.16 0.74 -1.00 0.00 0.00 179.01 179.96 2bkc h PHE 78 N 0.70 0.52 -0.36 4.33 0.05 -0.98 -2.14 116.94 119.07 2bkc h PHE 78 Ca 0.07 -0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.86 2bkc h PHE 78 Cb 0.89 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.65 2bkc h PHE 78 CO 0.06 0.46 0.17 -0.07 -0.18 0.00 0.00 178.31 178.75 2bkc h LEU 79 N 0.43 0.23 -1.80 1.54 3.38 -0.90 -0.40 115.31 117.80 2bkc h LEU 79 Ca 0.12 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2bkc h LEU 79 Cb 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2bkc h LEU 79 CO -0.01 0.17 0.20 -0.33 0.09 0.00 0.00 178.44 178.56 2bkc h GLU 80 N 0.34 0.26 0.00 1.13 5.08 -1.16 -3.31 114.58 116.92 2bkc h GLU 80 Ca 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2bkc h GLU 80 Cb 0.08 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2bkc h GLU 80 CO -0.12 0.17 -1.76 0.09 -1.00 0.00 0.00 179.01 176.39 2bkc n ASN 81 N -4.49 1.31 -4.79 1.42 4.13 -0.82 -5.03 115.26 107.00 2bkc n ASN 81 Ca 0.02 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.95 2bkc n ASN 81 Cb 0.17 1.67 0.00 0.00 -1.54 0.00 0.00 39.78 40.08 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 -3.06 2.72 -0.55 5.41 0.00 -0.20 -4.92 121.76 121.16 2bkc s ALA 82 Ca -0.06 0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.62 2bkc s ALA 82 Cb 0.10 -3.27 -0.22 0.00 0.00 0.00 0.00 23.12 19.73 2bkc s ALA 82 CO 0.67 -0.76 0.62 -1.13 0.00 0.00 0.00 175.76 175.16 2bkc n SER 83 N -1.71 0.85 -4.72 0.00 3.41 -1.26 -4.94 113.62 105.25 2bkc n SER 83 Ca 0.10 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 2bkc n SER 83 Cb 0.52 1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.72 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 -2.85 4.26 0.25 -3.33 1.01 -1.26 -5.02 120.40 113.46 2bkc s VAL 84 Ca 0.02 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 2bkc s VAL 84 Cb 0.13 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2bkc s VAL 84 CO 0.73 0.15 0.56 -1.61 0.00 0.00 0.00 175.10 174.92 2bkc s GLU 85 N 0.87 3.76 0.04 2.72 2.02 -1.26 -5.00 118.70 121.84 2bkc s GLU 85 Ca 0.56 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.77 2bkc s GLU 85 Cb -0.27 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 2bkc s GLU 85 CO 0.29 0.28 -0.06 -1.83 0.02 0.00 0.00 175.26 173.97 2bkc s GLU 86 N -3.03 0.47 -0.00 1.61 -1.05 -1.26 -5.01 118.70 110.43 2bkc s GLU 86 Ca 0.47 -0.76 -0.04 0.00 -0.15 0.00 0.00 54.97 54.49 2bkc s GLU 86 Cb -0.11 -0.12 -0.00 0.00 -0.44 0.00 0.00 34.13 33.45 2bkc s GLU 86 CO 0.24 0.00 0.08 0.00 0.95 0.00 0.00 175.26 176.53 2bkc s ALA 87 N -1.63 -0.17 0.57 -0.84 0.00 -1.26 -5.14 121.76 113.27 2bkc s ALA 87 Ca -0.10 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.51 2bkc s ALA 87 Cb -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2bkc s ALA 87 CO -0.01 -0.15 1.17 -1.25 0.00 0.00 0.00 175.76 175.53 2bkc s PRO 88 N -1.01 3.17 -0.55 0.00 0.04 -1.26 -4.93 135.00 130.46 2bkc s PRO 88 Ca -0.11 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 2bkc s PRO 88 Cb -0.06 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2bkc s PRO 88 CO 0.00 -1.02 1.01 -0.47 0.04 0.00 0.00 177.00 176.56 2bkc s TYR 89 N -1.66 2.76 0.00 0.56 5.04 -1.26 -4.82 117.35 117.97 2bkc s TYR 89 Ca 0.75 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 2bkc s TYR 89 Cb -0.28 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 37.85 2bkc s TYR 89 CO 0.30 -1.38 0.00 0.25 -1.34 0.00 0.00 175.55 173.38 2bkc n THR 90 N 6.35 0.00 -3.00 4.34 -2.24 -1.26 -5.04 114.28 113.43 2bkc n THR 90 Ca 0.04 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 2bkc n THR 90 Cb 0.48 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 2bkc n THR 90 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bkc s LYS 91 N 0.00 3.96 0.42 -0.78 -2.85 -1.26 -4.97 119.74 114.26 2bkc s LYS 91 Ca 0.00 0.67 -0.25 0.00 -1.00 0.00 0.00 55.97 55.39 2bkc s LYS 91 Cb 0.00 -2.38 -0.08 0.00 -2.06 0.00 0.00 37.83 33.31 2bkc s LYS 91 CO 0.00 0.07 1.29 -2.14 0.10 0.00 0.00 175.35 174.67 2bkc s PRO 92 N -3.29 3.88 -0.05 1.78 0.02 -1.26 -5.05 135.00 131.03 2bkc s PRO 92 Ca 0.54 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.69 2bkc s PRO 92 Cb -0.10 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.76 2bkc s PRO 92 CO 0.21 -0.55 -0.07 0.15 -0.33 0.00 0.00 177.00 176.41 2bkc s LYS 93 N -2.34 1.12 0.79 5.54 1.02 -1.26 -5.14 119.74 119.47 2bkc s LYS 93 Ca 0.59 -0.21 -0.15 0.00 0.02 0.00 0.00 55.97 56.22 2bkc s LYS 93 Cb -0.37 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.89 2bkc s LYS 93 CO 0.47 -0.05 0.46 2.41 -0.92 0.00 0.00 175.35 177.72 2bkc n THR 94 N 3.98 1.23 -0.33 2.17 -1.04 -1.26 -4.78 114.28 114.24 2bkc n THR 94 Ca -0.24 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2bkc n THR 94 Cb 0.51 -0.68 0.17 0.00 -1.82 0.00 0.00 70.33 68.51 2bkc n THR 94 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bkc h MET 95 N -0.71 1.17 -0.35 -2.82 4.05 -1.99 -1.82 114.93 112.46 2bkc h MET 95 Ca -0.45 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 58.80 2bkc h MET 95 Cb 1.33 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 2bkc h MET 95 CO 0.40 0.77 -0.21 -0.44 0.23 0.00 0.00 176.91 177.66 2bkc h ASP 96 N 1.20 0.68 -0.26 1.39 3.32 -1.95 -0.40 116.42 120.41 2bkc h ASP 96 Ca 0.37 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 2bkc h ASP 96 Cb -0.02 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2bkc h ASP 96 CO -0.11 0.88 -0.21 1.56 -1.72 0.00 0.00 179.24 179.65 2bkc h GLN 97 N 0.60 0.59 -0.63 3.56 4.20 -1.85 -0.50 115.11 121.09 2bkc h GLN 97 Ca 0.09 -0.30 0.05 0.00 0.06 0.00 0.00 58.65 58.55 2bkc h GLN 97 Cb 0.68 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 2bkc h GLN 97 CO 0.05 0.89 0.35 -0.07 -0.67 0.00 0.00 178.83 179.38 2bkc h LEU 98 N 0.31 0.54 -1.13 1.46 3.38 -1.22 -1.78 115.31 116.87 2bkc h LEU 98 Ca 0.05 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2bkc h LEU 98 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2bkc h LEU 98 CO 0.05 0.36 -0.25 0.24 0.09 0.00 0.00 178.44 178.94 2bkc h MET 99 N 0.67 0.00 -0.12 1.13 2.86 -0.66 -2.24 114.93 116.57 2bkc h MET 99 Ca 0.27 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.70 2bkc h MET 99 Cb 0.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.80 2bkc h MET 99 CO -0.15 0.25 -0.75 1.49 1.06 0.00 0.00 176.91 178.81 2bkc h GLU 100 N 0.00 0.72 -0.89 1.72 4.81 -0.59 -1.32 114.58 119.02 2bkc h GLU 100 Ca -0.00 -0.61 0.07 0.00 -0.13 0.00 0.00 59.36 58.68 2bkc h GLU 100 Cb 0.75 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 2bkc h GLU 100 CO 0.03 1.22 0.58 0.22 -0.73 0.00 0.00 179.01 180.34 2bkc h ASP 101 N 0.42 0.88 -0.21 1.04 1.82 -1.15 -0.17 116.42 119.06 2bkc h ASP 101 Ca -0.06 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.51 2bkc h ASP 101 Cb 1.39 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 2bkc h ASP 101 CO 0.15 0.56 -0.18 0.25 -1.61 0.00 0.00 179.24 178.42 2bkc h LEU 102 N 1.00 0.52 -0.40 2.28 6.46 -1.28 -2.39 115.31 121.50 2bkc h LEU 102 Ca 0.39 -0.46 -0.14 0.00 -0.12 0.00 0.00 57.88 57.55 2bkc h LEU 102 Cb 0.22 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2bkc h LEU 102 CO -0.15 0.87 -0.28 0.58 -0.62 0.00 0.00 178.44 178.85 2bkc h VAL 103 N 0.18 1.28 -0.12 1.05 2.07 -1.02 -1.41 116.25 118.27 2bkc h VAL 103 Ca 0.04 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2bkc h VAL 103 Cb 0.72 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2bkc h VAL 103 CO 0.05 0.48 -0.03 1.23 0.02 0.00 0.00 177.57 179.32 2bkc h GLY 104 N 0.72 0.18 1.50 2.17 0.00 -1.03 -0.48 103.07 106.11 2bkc h GLY 104 Ca 0.08 -0.08 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2bkc h GLY 104 CO 0.08 0.08 -1.34 -0.84 0.00 0.00 0.00 176.54 174.52 2bkc h THR 105 N 0.16 1.39 -0.47 4.70 2.02 -1.14 -2.74 112.91 116.84 2bkc h THR 105 Ca 0.04 -2.97 -0.07 0.00 0.77 0.00 0.00 66.41 64.18 2bkc h THR 105 Cb 0.17 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 2bkc h THR 105 CO 0.01 0.87 0.00 -0.07 0.37 0.00 0.00 175.52 176.70 2bkc h LEU 106 N 0.08 0.73 -0.64 2.58 3.38 -0.92 -2.18 115.31 118.34 2bkc h LEU 106 Ca -0.17 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2bkc h LEU 106 Cb 2.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2bkc h LEU 106 CO 0.20 0.80 -0.08 -0.33 0.09 0.00 0.00 178.44 179.12 2bkc h GLU 107 N 0.72 0.98 -0.33 1.13 5.08 -1.09 -0.50 114.58 120.57 2bkc h GLU 107 Ca 0.14 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2bkc h GLU 107 Cb 0.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2bkc h GLU 107 CO 0.02 1.01 0.17 1.25 -1.00 0.00 0.00 179.01 180.46 2bkc h LEU 108 N 0.88 0.43 -0.33 1.33 6.46 -1.28 -1.29 115.31 121.50 2bkc h LEU 108 Ca 0.14 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 2bkc h LEU 108 Cb 0.62 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2bkc h LEU 108 CO 0.04 0.42 0.06 -0.07 -0.62 0.00 0.00 178.44 178.28 2bkc h LEU 109 N 0.40 0.52 -0.40 2.25 3.38 -1.13 -0.83 115.31 119.51 2bkc h LEU 109 Ca 0.11 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2bkc h LEU 109 Cb 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2bkc h LEU 109 CO -0.02 0.64 -0.11 -0.09 0.09 0.00 0.00 178.44 178.95 2bkc h ARG 110 N 0.39 -0.02 -0.39 1.13 2.43 -0.96 0.20 114.38 117.16 2bkc h ARG 110 Ca 0.10 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2bkc h ARG 110 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2bkc h ARG 110 CO 0.00 -0.01 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.95 2bkc h ASP 111 N -0.02 0.73 -0.65 -3.80 3.32 -0.94 -1.62 116.42 113.44 2bkc h ASP 111 Ca 0.19 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2bkc h ASP 111 Cb 0.31 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2bkc h ASP 111 CO -0.42 0.90 0.14 -0.33 -1.72 0.00 0.00 179.24 177.82 2bkc h GLU 112 N 0.54 1.04 0.00 3.56 5.08 -0.99 -2.40 114.58 121.41 2bkc h GLU 112 Ca 0.10 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2bkc h GLU 112 Cb 0.57 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2bkc h GLU 112 CO 0.03 0.94 -0.14 1.88 -1.00 0.00 0.00 179.01 180.72 2bkc h TYR 113 N 0.96 0.00 -0.17 4.33 -1.99 -0.46 -1.40 116.97 118.25 2bkc h TYR 113 Ca 0.20 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.76 2bkc h TYR 113 Cb 0.38 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 2bkc h TYR 113 CO 0.03 0.14 -0.62 -0.22 -0.00 0.00 0.00 178.16 177.50 2bkc h LYS 114 N 0.00 0.58 -0.69 4.88 1.63 -0.84 0.83 116.57 122.96 2bkc h LYS 114 Ca -0.00 -0.40 -0.03 0.00 -0.85 0.00 0.00 60.65 59.37 2bkc h LYS 114 Cb 0.26 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 2bkc h LYS 114 CO 0.02 1.02 0.33 1.96 -3.45 0.00 0.00 179.45 179.33 2bkc h GLN 115 N 0.43 0.99 -0.05 1.90 4.20 -0.87 -2.60 115.11 119.11 2bkc h GLN 115 Ca -0.01 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 2bkc h GLN 115 Cb 1.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2bkc h GLN 115 CO 0.12 0.76 -0.69 0.78 -0.67 0.00 0.00 178.83 179.13 2bkc h GLY 116 N 1.05 0.26 1.00 3.46 0.00 -0.98 -1.13 103.07 106.72 2bkc h GLY 116 Ca 0.24 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2bkc h GLY 116 CO -0.03 0.32 0.36 -2.22 0.00 0.00 0.00 176.54 174.96 2bkc h ILE 117 N 0.16 1.16 -0.18 2.60 2.04 -0.66 -2.20 117.51 120.44 2bkc h ILE 117 Ca -0.02 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 2bkc h ILE 117 Cb 1.24 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2bkc h ILE 117 CO 0.11 0.17 -0.25 -0.33 0.00 0.00 0.00 178.15 177.84 2bkc h GLU 118 N 0.77 0.48 -0.26 2.37 4.39 -1.28 -2.44 114.58 118.62 2bkc h GLU 118 Ca 0.21 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2bkc h GLU 118 Cb -0.04 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2bkc h GLU 118 CO -0.04 0.87 -0.13 1.25 -1.16 0.00 0.00 179.01 179.80 2bkc h LEU 119 N 0.13 0.42 0.00 1.33 5.85 -1.21 -1.91 115.31 119.92 2bkc h LEU 119 Ca 0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2bkc h LEU 119 Cb 0.82 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2bkc h LEU 119 CO 0.06 0.58 -0.68 0.00 -0.34 0.00 0.00 178.44 178.06 2bkc h THR 120 N 0.40 0.10 -0.10 1.05 1.03 -1.42 -1.92 112.91 112.05 2bkc h THR 120 Ca 0.08 -1.16 -0.17 0.00 -0.01 0.00 0.00 66.41 65.15 2bkc h THR 120 Cb 0.47 1.77 0.01 0.00 -1.07 0.00 0.00 68.15 69.33 2bkc h THR 120 CO 0.03 0.05 -0.60 -0.78 -0.01 0.00 0.00 175.52 174.21 2bkc h ASP 121 N 0.00 0.71 -0.32 0.00 -0.00 -1.04 -2.44 116.42 113.32 2bkc h ASP 121 Ca -0.01 -0.65 -0.02 0.00 -0.00 0.00 0.00 57.03 56.34 2bkc h ASP 121 Cb 1.07 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 40.17 2bkc h ASP 121 CO 0.01 1.25 0.15 0.11 -0.00 0.00 0.00 179.24 180.76 2bkc h LYS 122 N 0.21 0.52 -0.01 0.28 1.79 -1.22 -2.97 116.57 115.17 2bkc h LYS 122 Ca -0.05 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2bkc h LYS 122 Cb 1.25 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2bkc h LYS 122 CO 0.12 0.43 -0.01 0.39 -1.08 0.00 0.00 179.45 179.30 2bkc n GLU 123 N -4.39 1.24 -1.38 3.15 1.02 -0.73 -4.94 120.64 114.61 2bkc n GLU 123 Ca 0.02 -0.43 -0.10 0.00 -0.02 0.00 0.00 57.16 56.63 2bkc n GLU 123 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.11 1.08 3.42 0.62 0.00 -1.12 -4.96 105.19 105.33 2bkc n GLY 124 Ca 0.21 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.86 6.86 0.19 1.61 3.68 -0.93 -4.89 116.67 120.33 2bkc s ASP 125 Ca 0.00 -2.61 -0.08 0.00 2.13 0.00 0.00 52.55 51.99 2bkc s ASP 125 Cb 0.00 -2.34 0.10 0.00 -1.45 0.00 0.00 42.92 39.23 2bkc s ASP 125 CO 0.00 -0.79 1.64 0.44 0.13 0.00 0.00 175.17 176.59 2bkc h ASP 126 N 7.92 1.00 0.14 -0.34 3.32 -1.93 -2.37 116.42 124.16 2bkc h ASP 126 Ca 0.19 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2bkc h ASP 126 Cb 0.97 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2bkc h ASP 126 CO 1.07 1.08 -0.07 0.58 -1.72 0.00 0.00 179.24 180.18 2bkc h VAL 127 N 0.92 0.93 -0.34 -1.35 2.07 -1.97 -0.11 116.25 116.40 2bkc h VAL 127 Ca 0.16 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2bkc h VAL 127 Cb 0.60 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2bkc h VAL 127 CO 0.04 0.07 -0.05 0.74 0.02 0.00 0.00 177.57 178.38 2bkc h THR 128 N -0.32 1.22 0.05 2.57 2.02 -1.95 -1.47 112.91 115.03 2bkc h THR 128 Ca -0.02 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2bkc h THR 128 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2bkc h THR 128 CO 0.03 0.31 -0.02 -1.13 0.37 0.00 0.00 175.52 175.08 2bkc h ASN 129 N 0.52 -0.06 -0.51 4.18 -0.73 -1.25 -2.56 115.58 115.18 2bkc h ASN 129 Ca 0.10 -0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2bkc h ASN 129 Cb 0.42 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 2bkc h ASN 129 CO 0.02 0.05 0.20 -0.78 -0.37 0.00 0.00 177.43 176.55 2bkc h ASP 130 N -0.16 0.70 -0.82 1.15 3.58 -0.70 -2.27 116.42 117.90 2bkc h ASP 130 Ca -0.01 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.34 2bkc h ASP 130 Cb 0.14 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2bkc h ASP 130 CO 0.01 0.68 0.54 -0.03 -2.88 0.00 0.00 179.24 177.55 2bkc h MET 131 N 0.68 0.88 -0.02 0.28 4.05 -1.24 -1.87 114.93 117.68 2bkc h MET 131 Ca 0.17 -0.05 -0.23 0.00 -0.28 0.00 0.00 59.70 59.31 2bkc h MET 131 Cb 0.19 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2bkc h MET 131 CO -0.01 0.58 -0.92 -0.07 0.23 0.00 0.00 176.91 176.72 2bkc h LEU 132 N 0.91 0.63 -0.20 3.39 4.07 -1.03 -2.34 115.31 120.74 2bkc h LEU 132 Ca 0.35 -0.49 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 2bkc h LEU 132 Cb 0.21 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2bkc h LEU 132 CO -0.12 1.28 0.12 0.40 -1.08 0.00 0.00 178.44 179.03 2bkc h ILE 133 N 0.29 1.10 -0.80 1.22 2.04 -1.18 -0.97 117.51 119.21 2bkc h ILE 133 Ca -0.08 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2bkc h ILE 133 Cb 1.55 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 2bkc h ILE 133 CO 0.17 0.09 0.49 0.00 0.00 0.00 0.00 178.15 178.90 2bkc h ALA 134 N 1.01 1.08 -0.57 1.87 0.00 -1.22 0.05 119.26 121.48 2bkc h ALA 134 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2bkc h ALA 134 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bkc h ALA 134 CO -0.01 0.25 0.09 0.74 0.00 0.00 0.00 179.25 180.31 2bkc h PHE 135 N 0.92 1.01 -0.89 0.00 0.05 -1.16 -2.61 116.94 114.26 2bkc h PHE 135 Ca 0.34 -0.14 0.02 0.00 3.82 0.00 0.00 57.97 62.01 2bkc h PHE 135 Cb 0.12 -0.28 -0.05 0.00 2.00 0.00 0.00 35.95 37.75 2bkc h PHE 135 CO -0.04 0.88 0.58 -0.22 -0.18 0.00 0.00 178.31 179.34 2bkc h LYS 136 N 0.84 1.12 -0.73 1.51 3.64 -0.65 -1.73 116.57 120.57 2bkc h LYS 136 Ca 0.17 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 2bkc h LYS 136 Cb 0.42 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 2bkc h LYS 136 CO 0.01 0.74 0.39 0.00 -2.27 0.00 0.00 179.45 178.33 2bkc h ALA 137 N 1.35 1.02 -0.20 5.00 0.00 -0.62 -0.60 119.26 125.20 2bkc h ALA 137 Ca 0.34 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2bkc h ALA 137 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bkc h ALA 137 CO -0.10 0.02 -0.06 1.03 0.00 0.00 0.00 179.25 180.14 2bkc h SER 138 N 0.67 0.40 -0.93 0.00 0.87 -1.31 -2.94 113.55 110.31 2bkc h SER 138 Ca 0.35 -0.37 0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2bkc h SER 138 Cb 0.33 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2bkc h SER 138 CO -0.24 0.68 0.59 0.40 -0.53 0.00 0.00 176.83 177.72 2bkc h ILE 139 N 0.12 1.03 -0.55 2.23 2.04 -0.98 -0.77 117.51 120.63 2bkc h ILE 139 Ca 0.05 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 2bkc h ILE 139 Cb 0.51 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2bkc h ILE 139 CO 0.02 0.19 -0.02 0.44 0.00 0.00 0.00 178.15 178.78 2bkc h ASP 140 N 1.04 0.97 -0.29 1.72 3.32 -1.13 0.40 116.42 122.45 2bkc h ASP 140 Ca 0.42 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2bkc h ASP 140 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2bkc h ASP 140 CO -0.19 1.05 0.16 0.50 -1.72 0.00 0.00 179.24 179.04 2bkc h LYS 141 N 0.87 0.41 -0.80 3.56 3.64 -1.26 -2.06 116.57 120.92 2bkc h LYS 141 Ca 0.15 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2bkc h LYS 141 Cb 0.57 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2bkc h LYS 141 CO 0.03 0.34 0.36 0.45 -2.27 0.00 0.00 179.45 178.37 2bkc h HIS 142 N 0.36 1.17 -0.86 1.91 3.86 -0.77 -2.38 115.15 118.44 2bkc h HIS 142 Ca 0.10 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2bkc h HIS 142 Cb 0.05 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.13 2bkc h HIS 142 CO -0.03 0.86 0.49 0.82 0.86 0.00 0.00 177.93 180.93 2bkc h ILE 143 N 1.14 1.24 0.06 2.45 2.04 -0.74 0.18 117.51 123.89 2bkc h ILE 143 Ca 0.27 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2bkc h ILE 143 Cb 0.15 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2bkc h ILE 143 CO -0.03 0.26 -0.03 -0.25 0.00 0.00 0.00 178.15 178.10 2bkc h TRP 144 N 1.18 -0.08 -0.48 1.37 7.01 -1.05 -1.30 115.95 122.61 2bkc h TRP 144 Ca 0.30 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.30 2bkc h TRP 144 Cb -0.01 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2bkc h TRP 144 CO 0.00 0.19 0.30 0.52 -2.79 0.00 0.00 178.44 176.66 2bkc h MET 145 N -0.34 0.64 -0.03 2.65 0.00 -1.00 0.15 114.93 116.99 2bkc h MET 145 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 59.70 59.47 2bkc h MET 145 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 31.60 31.75 2bkc h MET 145 CO 0.01 0.46 -0.73 0.74 0.00 0.00 0.00 176.91 177.39 2bkc h PHE 146 N 0.64 0.25 -0.64 -0.22 -1.00 -1.02 -0.91 116.94 114.05 2bkc h PHE 146 Ca 0.17 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 2bkc h PHE 146 Cb -0.03 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 2bkc h PHE 146 CO -0.03 0.85 0.22 0.87 -1.61 0.00 0.00 178.31 178.60 2bkc h LYS 147 N 0.12 0.98 -0.46 1.51 1.79 -0.96 -2.48 116.57 117.07 2bkc h LYS 147 Ca -0.02 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 2bkc h LYS 147 Cb 1.29 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2bkc h LYS 147 CO 0.11 0.85 -0.11 0.00 -1.08 0.00 0.00 179.45 179.22 2bkc h ALA 148 N 1.08 0.93 -0.59 3.86 0.00 -0.41 -0.44 119.26 123.69 2bkc h ALA 148 Ca 0.21 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2bkc h ALA 148 Cb 0.27 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2bkc h ALA 148 CO -0.01 0.62 0.11 0.35 0.00 0.00 0.00 179.25 180.32 2bkc h PHE 149 N 0.76 0.17 0.00 0.00 3.57 -0.99 -1.07 116.94 119.37 2bkc h PHE 149 Ca 0.12 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2bkc h PHE 149 Cb 0.62 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2bkc h PHE 149 CO 0.03 -0.04 0.00 1.28 -2.23 0.00 0.00 178.31 177.35 2bkc n LEU 150 N -5.14 0.00 0.00 0.59 4.77 -0.93 -4.87 117.00 111.42 2bkc n LEU 150 Ca 0.09 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2bkc n LEU 150 Cb 0.32 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2bkc n LEU 150 CO 0.17 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2bkc n GLY 151 N 0.42 0.61 3.49 -0.72 0.00 -0.41 -5.05 105.19 103.53 2bkc n GLY 151 Ca 0.14 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.11 1.71 0.55 1.61 1.02 -0.22 -4.98 119.74 118.31 2bkc s LYS 152 Ca 0.00 -1.82 -0.17 0.00 0.02 0.00 0.00 55.97 54.00 2bkc s LYS 152 Cb 0.00 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 35.54 2bkc s LYS 152 CO 0.00 0.26 1.04 0.00 -0.92 0.00 0.00 175.35 175.73 2bkc s ALA 153 N -2.57 2.84 0.17 5.17 0.00 -1.26 -3.32 121.76 122.79 2bkc s ALA 153 Ca 0.31 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 2bkc s ALA 153 Cb -0.02 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.00 2bkc s ALA 153 CO 0.15 -0.57 1.66 -1.35 0.00 0.00 0.00 175.76 175.65 2bkc h PRO 154 N 0.81 -0.02 -0.00 0.00 0.11 -1.88 -2.90 132.00 128.12 2bkc h PRO 154 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2bkc h PRO 154 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bkc h PRO 154 CO 0.59 -0.01 -0.72 1.28 -0.21 0.00 0.00 178.00 178.92 2bkc n LEU 155 N -5.33 0.84 0.00 2.35 4.77 -1.26 -4.88 117.00 113.49 2bkc n LEU 155 Ca 0.03 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2bkc n LEU 155 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2bkc n LEU 155 CO 0.13 0.20 0.00 -0.62 -1.33 0.00 0.00 177.39 175.77