#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc s ASP 8 N 0.00 4.53 0.19 4.52 -4.77 -1.26 -4.98 116.67 114.90 2bkc s ASP 8 Ca 0.00 -1.27 -0.12 0.00 -3.30 0.00 0.00 52.55 47.86 2bkc s ASP 8 Cb 0.00 0.25 0.18 0.00 -1.09 0.00 0.00 42.92 42.26 2bkc s ASP 8 CO 0.00 -0.95 1.77 0.74 0.70 0.00 0.00 175.17 177.43 2bkc h THR 9 N 0.97 0.90 -0.52 2.11 2.02 -1.98 -1.88 112.91 114.53 2bkc h THR 9 Ca -0.39 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2bkc h THR 9 Cb 1.30 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2bkc h THR 9 CO 0.62 0.08 0.19 0.11 0.37 0.00 0.00 175.52 176.90 2bkc h LYS 10 N 0.46 0.76 0.25 6.66 1.57 -1.97 -1.74 116.57 122.57 2bkc h LYS 10 Ca 0.25 -0.12 -0.33 0.00 -1.87 0.00 0.00 60.65 58.58 2bkc h LYS 10 Cb 0.21 -0.13 0.04 0.00 0.08 0.00 0.00 32.23 32.42 2bkc h LYS 10 CO -0.20 0.64 -1.47 0.93 -0.57 0.00 0.00 179.45 178.78 2bkc h GLU 11 N 0.75 0.54 -0.68 3.15 3.07 -1.82 -2.51 114.58 117.07 2bkc h GLU 11 Ca 0.18 -0.92 0.07 0.00 -0.50 0.00 0.00 59.36 58.18 2bkc h GLU 11 Cb 0.17 0.34 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 2bkc h GLU 11 CO -0.01 1.44 0.37 0.35 -1.40 0.00 0.00 179.01 179.76 2bkc h PHE 12 N 0.13 0.68 -0.23 4.33 3.57 -1.25 -0.54 116.94 123.63 2bkc h PHE 12 Ca -0.26 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 2bkc h PHE 12 Cb 2.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 2bkc h PHE 12 CO 0.13 0.31 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.41 2bkc h LEU 13 N 0.67 0.43 -1.51 0.59 4.07 -1.30 -1.13 115.31 117.14 2bkc h LEU 13 Ca 0.31 -0.35 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 2bkc h LEU 13 Cb 0.23 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2bkc h LEU 13 CO -0.20 0.68 -0.25 -1.13 -1.08 0.00 0.00 178.44 176.45 2bkc h ASN 14 N 0.17 0.00 -0.58 -0.43 -1.24 -1.37 -0.44 115.58 111.68 2bkc h ASN 14 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2bkc h ASN 14 Cb 0.48 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 2bkc h ASN 14 CO 0.02 0.25 0.23 -0.74 -1.29 0.00 0.00 177.43 175.90 2bkc h HIS 15 N 0.00 0.89 0.00 0.67 2.76 -0.22 -2.73 115.15 116.52 2bkc h HIS 15 Ca -0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2bkc h HIS 15 Cb 0.48 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2bkc h HIS 15 CO 0.00 0.72 0.00 1.96 -1.30 0.00 0.00 177.93 179.31 2bkc h GLN 16 N 0.80 0.00 -0.22 5.26 1.08 0.08 -2.24 115.11 119.87 2bkc h GLN 16 Ca 0.19 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.24 2bkc h GLN 16 Cb 0.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2bkc h GLN 16 CO -0.01 0.00 -0.48 0.28 -0.95 0.00 0.00 178.83 177.66 2bkc h VAL 17 N 0.00 1.31 0.14 -0.54 2.07 -1.03 -1.64 116.25 116.55 2bkc h VAL 17 Ca 0.00 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2bkc h VAL 17 Cb 0.66 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2bkc h VAL 17 CO 0.00 0.53 -0.07 0.00 0.02 0.00 0.00 177.57 178.06 2bkc h ALA 18 N 0.99 -0.19 -0.54 1.67 0.00 -1.24 -2.75 119.26 117.21 2bkc h ALA 18 Ca 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bkc h ALA 18 Cb 1.02 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2bkc h ALA 18 CO 0.09 -0.44 0.22 -0.91 0.00 0.00 0.00 179.25 178.22 2bkc h ASN 19 N -0.52 0.25 0.29 0.00 2.35 -1.40 -2.71 115.58 113.83 2bkc h ASN 19 Ca -0.02 0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 2bkc h ASN 19 Cb 0.41 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2bkc h ASN 19 CO 0.03 0.17 -0.59 -0.07 -1.65 0.00 0.00 177.43 175.32 2bkc h LEU 20 N 0.42 0.34 -1.27 1.61 4.07 -1.35 -0.18 115.31 118.94 2bkc h LEU 20 Ca 0.26 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 2bkc h LEU 20 Cb 0.26 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2bkc h LEU 20 CO -0.24 0.85 -0.31 0.78 -1.08 0.00 0.00 178.44 178.44 2bkc h ASN 21 N 0.23 0.09 0.48 -0.43 2.35 -1.29 -1.39 115.58 115.62 2bkc h ASN 21 Ca -0.00 -0.03 -0.26 0.00 -0.55 0.00 0.00 56.30 55.46 2bkc h ASN 21 Cb 1.10 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.45 2bkc h ASN 21 CO 0.09 0.40 -1.12 0.58 -1.65 0.00 0.00 177.43 175.73 2bkc h VAL 22 N 0.08 1.44 -0.43 2.81 2.07 -1.12 -3.18 116.25 117.93 2bkc h VAL 22 Ca 0.01 -2.77 -0.07 0.00 0.82 0.00 0.00 66.70 64.69 2bkc h VAL 22 Cb 0.59 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 2bkc h VAL 22 CO 0.04 0.82 -0.00 0.15 0.02 0.00 0.00 177.57 178.59 2bkc h PHE 23 N 0.15 0.83 -0.03 1.57 3.57 -0.85 -1.60 116.94 120.58 2bkc h PHE 23 Ca -0.12 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.27 2bkc h PHE 23 Cb 1.81 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 2bkc h PHE 23 CO 0.07 0.82 -0.42 1.15 -2.23 0.00 0.00 178.31 177.70 2bkc h THR 24 N 0.60 0.15 -0.47 4.41 2.02 -1.39 -0.55 112.91 117.69 2bkc h THR 24 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 2bkc h THR 24 Cb 0.50 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2bkc h THR 24 CO 0.02 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.49 2bkc h VAL 25 N -0.56 1.24 0.00 3.16 2.07 -1.49 -1.04 116.25 119.63 2bkc h VAL 25 Ca 0.05 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2bkc h VAL 25 Cb 0.65 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2bkc h VAL 25 CO -0.33 0.35 -0.11 0.50 0.02 0.00 0.00 177.57 177.99 2bkc h LYS 26 N 0.72 0.00 -0.06 1.57 3.64 -1.00 -1.49 116.57 119.94 2bkc h LYS 26 Ca 0.14 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.29 2bkc h LYS 26 Cb 0.44 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2bkc h LYS 26 CO 0.02 0.11 -0.89 0.82 -2.27 0.00 0.00 179.45 177.25 2bkc h ILE 27 N 0.00 1.32 -0.45 2.00 2.04 0.22 -2.06 117.51 120.57 2bkc h ILE 27 Ca -0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 2bkc h ILE 27 Cb 0.23 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2bkc h ILE 27 CO 0.01 0.67 0.17 0.45 0.00 0.00 0.00 178.15 179.46 2bkc h HIS 28 N 0.39 0.65 0.33 1.37 3.86 -0.84 -2.51 115.15 118.40 2bkc h HIS 28 Ca -0.08 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 2bkc h HIS 28 Cb 1.51 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.79 2bkc h HIS 28 CO 0.08 0.52 -0.16 0.37 0.86 0.00 0.00 177.93 179.60 2bkc h GLN 29 N 0.64 -0.43 -0.62 2.45 4.15 -1.02 0.75 115.11 121.03 2bkc h GLN 29 Ca 0.16 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.73 2bkc h GLN 29 Cb 0.15 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.84 2bkc h GLN 29 CO -0.01 -0.22 0.08 0.82 -1.93 0.00 0.00 178.83 177.57 2bkc h ILE 30 N -0.54 0.56 -0.59 2.39 2.04 -1.32 -1.51 117.51 118.55 2bkc h ILE 30 Ca -0.05 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2bkc h ILE 30 Cb 0.40 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2bkc h ILE 30 CO 0.07 0.04 -0.03 -0.74 0.00 0.00 0.00 178.15 177.49 2bkc h HIS 31 N 0.20 1.15 -0.00 1.37 2.76 -1.00 -1.92 115.15 117.70 2bkc h HIS 31 Ca 0.33 -0.21 -0.17 0.00 -2.20 0.00 0.00 60.37 58.12 2bkc h HIS 31 Cb 0.53 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2bkc h HIS 31 CO -0.30 1.02 -0.80 -1.49 -1.30 0.00 0.00 177.93 175.07 2bkc h TRP 32 N 0.95 0.13 -0.04 5.26 6.55 -0.46 -3.35 115.95 124.99 2bkc h TRP 32 Ca 0.16 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.93 2bkc h TRP 32 Cb 0.58 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 2bkc h TRP 32 CO 0.04 0.85 0.00 0.66 -1.05 0.00 0.00 178.44 178.94 2bkc n TYR 33 N -3.66 0.03 -2.69 0.49 4.02 -0.60 -5.01 117.16 109.75 2bkc n TYR 33 Ca -0.02 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.76 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.02 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 -1.37 4.58 0.27 -0.72 0.23 -0.74 -4.89 119.30 116.66 2bkc s MET 34 Ca 0.20 1.46 0.03 0.00 -1.03 0.00 0.00 55.69 56.36 2bkc s MET 34 Cb 0.14 -2.91 -0.04 0.00 -1.53 0.00 0.00 34.83 30.49 2bkc s MET 34 CO 0.21 0.25 0.21 1.03 -2.03 0.00 0.00 175.02 174.68 2bkc s ARG 35 N -1.86 1.49 0.23 3.16 0.52 -1.26 -4.98 118.95 116.24 2bkc s ARG 35 Ca 0.49 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 2bkc s ARG 35 Cb -0.23 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.54 2bkc s ARG 35 CO 0.29 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2bkc n GLY 36 N -0.45 -2.18 0.15 -3.53 0.00 -1.26 -4.50 105.19 93.41 2bkc n GLY 36 Ca 0.05 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.97 115.15 116.36 2bkc h HIS 37 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2bkc h HIS 37 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2bkc h HIS 37 CO 0.00 0.53 0.05 0.09 0.86 0.00 0.00 177.93 179.47 2bkc n ASN 38 N -3.88 2.78 -0.07 2.45 4.13 -1.26 -4.44 115.26 114.97 2bkc n ASN 38 Ca -0.01 -2.37 -0.08 0.00 1.68 0.00 0.00 54.58 53.79 2bkc n ASN 38 Cb 0.55 -0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 38.20 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 1.13 0.21 -0.03 3.10 3.57 -1.64 -1.14 116.94 122.15 2bkc h PHE 39 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2bkc h PHE 39 Cb 1.16 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2bkc h PHE 39 CO 0.42 0.11 -0.07 0.74 -2.23 0.00 0.00 178.31 177.29 2bkc h PHE 40 N 0.25 0.12 0.00 0.41 -1.00 -1.86 -1.54 116.94 113.33 2bkc h PHE 40 Ca 0.11 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.73 2bkc h PHE 40 Cb 0.05 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2bkc h PHE 40 CO -0.11 0.67 -0.56 0.00 -1.61 0.00 0.00 178.31 176.70 2bkc h THR 41 N -0.46 1.32 0.08 -1.55 1.03 -1.85 -2.34 112.91 109.13 2bkc h THR 41 Ca -0.00 -1.97 -0.29 0.00 -0.01 0.00 0.00 66.41 64.14 2bkc h THR 41 Cb 0.66 2.09 -0.02 0.00 -1.07 0.00 0.00 68.15 69.81 2bkc h THR 41 CO 0.01 0.55 -1.48 -0.07 -0.01 0.00 0.00 175.52 174.53 2bkc h LEU 42 N 0.00 0.25 -1.36 0.00 -0.00 -1.29 -3.07 115.31 109.85 2bkc h LEU 42 Ca -0.01 -0.36 -0.05 0.00 -0.00 0.00 0.00 57.88 57.46 2bkc h LEU 42 Cb 1.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2bkc h LEU 42 CO 0.07 1.30 -0.09 1.23 -0.00 0.00 0.00 178.44 180.95 2bkc h GLY 43 N 2.21 0.34 1.28 0.83 0.00 -1.15 0.18 103.07 106.76 2bkc h GLY 43 Ca -0.21 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 46.71 2bkc h GLY 43 CO 0.14 0.19 -0.72 0.83 0.00 0.00 0.00 176.54 176.98 2bkc h GLU 44 N 0.30 0.72 -0.04 4.80 5.08 -1.52 -2.76 114.58 121.17 2bkc h GLU 44 Ca 0.06 -0.56 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 2bkc h GLU 44 Cb 0.36 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2bkc h GLU 44 CO 0.02 1.18 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.79 2bkc h LYS 45 N 0.50 0.07 0.05 2.33 1.63 -1.27 -1.45 116.57 118.42 2bkc h LYS 45 Ca -0.04 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.49 2bkc h LYS 45 Cb 1.33 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2bkc h LYS 45 CO 0.15 0.27 -1.07 0.52 -3.45 0.00 0.00 179.45 175.86 2bkc h MET 46 N 0.06 0.47 -0.94 1.90 2.86 -0.98 -1.14 114.93 117.15 2bkc h MET 46 Ca 0.01 -0.57 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 2bkc h MET 46 Cb 0.39 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 2bkc h MET 46 CO 0.03 1.21 0.61 -0.44 1.06 0.00 0.00 176.91 179.38 2bkc h ASP 47 N 0.24 1.02 -0.03 1.22 5.19 -1.13 0.21 116.42 123.14 2bkc h ASP 47 Ca -0.12 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2bkc h ASP 47 Cb 1.73 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 2bkc h ASP 47 CO 0.19 0.70 0.01 0.44 -3.12 0.00 0.00 179.24 177.46 2bkc h ASP 48 N 1.18 0.04 -0.34 6.45 3.32 -1.14 -2.73 116.42 123.20 2bkc h ASP 48 Ca 0.38 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.30 2bkc h ASP 48 Cb 0.01 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2bkc h ASP 48 CO -0.13 0.22 0.02 -0.07 -1.72 0.00 0.00 179.24 177.56 2bkc h LEU 49 N -0.14 -0.09 -0.40 1.55 4.07 -0.85 -1.98 115.31 117.45 2bkc h LEU 49 Ca 0.01 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.12 2bkc h LEU 49 Cb 0.19 0.12 -0.08 0.00 1.08 0.00 0.00 40.66 41.97 2bkc h LEU 49 CO -0.00 -0.01 -0.15 0.22 -1.08 0.00 0.00 178.44 177.42 2bkc h TYR 50 N 0.12 -0.36 -0.62 1.13 5.03 -0.58 -1.36 116.97 120.34 2bkc h TYR 50 Ca 0.16 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 2bkc h TYR 50 Cb 0.21 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.69 2bkc h TYR 50 CO -0.22 -0.23 0.26 0.77 -1.32 0.00 0.00 178.16 177.42 2bkc h SER 51 N -0.07 0.84 -0.16 -2.11 0.02 -1.16 -1.10 113.55 109.82 2bkc h SER 51 Ca 0.20 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2bkc h SER 51 Cb 0.37 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2bkc h SER 51 CO -0.45 0.77 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.85 2bkc h GLU 52 N 0.86 0.33 0.00 3.45 4.81 -0.93 -2.17 114.58 120.93 2bkc h GLU 52 Ca 0.21 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 2bkc h GLU 52 Cb 0.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2bkc h GLU 52 CO -0.02 0.65 -0.69 0.74 -0.73 0.00 0.00 179.01 178.96 2bkc h PHE 53 N 0.01 0.00 -0.86 0.92 -1.00 -1.28 -0.29 116.94 114.44 2bkc h PHE 53 Ca 0.04 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.89 2bkc h PHE 53 Cb 0.55 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.05 2bkc h PHE 53 CO 0.07 0.69 0.56 0.78 -1.61 0.00 0.00 178.31 178.80 2bkc h GLY 54 N 2.38 1.22 1.12 -1.45 0.00 -1.21 -1.74 103.07 103.39 2bkc h GLY 54 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.74 2bkc h GLY 54 CO 0.09 0.26 -0.70 0.83 0.00 0.00 0.00 176.54 177.03 2bkc h GLU 55 N 0.93 0.77 -0.41 4.80 4.39 -0.67 -2.37 114.58 122.02 2bkc h GLU 55 Ca 0.38 -0.60 0.08 0.00 0.34 0.00 0.00 59.36 59.55 2bkc h GLU 55 Cb 0.26 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2bkc h GLU 55 CO -0.14 1.21 -0.00 1.96 -1.16 0.00 0.00 179.01 180.88 2bkc h GLN 56 N 0.49 0.10 -0.50 2.33 4.20 -0.95 -0.93 115.11 119.85 2bkc h GLN 56 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2bkc h GLN 56 Cb 1.32 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2bkc h GLN 56 CO 0.15 0.07 0.29 1.98 -0.67 0.00 0.00 178.83 180.64 2bkc h MET 57 N 0.10 0.69 -0.47 1.46 4.05 -1.27 0.46 114.93 119.96 2bkc h MET 57 Ca 0.20 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 2bkc h MET 57 Cb 0.29 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2bkc h MET 57 CO -0.34 0.52 -0.13 0.22 0.23 0.00 0.00 176.91 177.41 2bkc h ASP 58 N 0.67 0.86 0.31 1.39 1.82 -1.13 -0.34 116.42 120.01 2bkc h ASP 58 Ca 0.18 -0.28 -0.08 0.00 -0.39 0.00 0.00 57.03 56.46 2bkc h ASP 58 Cb 0.02 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 2bkc h ASP 58 CO -0.03 1.00 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.90 2bkc h GLU 59 N 0.78 0.09 -0.21 0.28 5.08 -0.85 -1.16 114.58 118.58 2bkc h GLU 59 Ca 0.12 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 59 Cb 0.65 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2bkc h GLU 59 CO 0.04 0.44 -0.28 0.28 -1.00 0.00 0.00 179.01 178.50 2bkc h VAL 60 N 0.07 1.33 -0.60 3.13 2.07 -0.51 -2.29 116.25 119.45 2bkc h VAL 60 Ca 0.01 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2bkc h VAL 60 Cb 0.69 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2bkc h VAL 60 CO 0.05 0.45 0.25 0.00 0.02 0.00 0.00 177.57 178.34 2bkc h ALA 61 N 0.64 0.78 -0.05 1.67 0.00 -0.99 -1.92 119.26 119.39 2bkc h ALA 61 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2bkc h ALA 61 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bkc h ALA 61 CO 0.07 0.39 -0.47 0.93 0.00 0.00 0.00 179.25 180.17 2bkc h GLU 62 N 0.84 0.13 -0.15 0.00 5.08 -1.24 -1.23 114.58 118.01 2bkc h GLU 62 Ca 0.20 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 2bkc h GLU 62 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2bkc h GLU 62 CO -0.02 0.58 -0.56 -0.09 -1.00 0.00 0.00 179.01 177.92 2bkc h ARG 63 N 0.10 0.64 -0.08 2.33 9.65 -1.27 -1.95 114.38 123.82 2bkc h ARG 63 Ca 0.00 -0.49 0.02 0.00 -1.10 0.00 0.00 59.98 58.42 2bkc h ARG 63 Cb 0.88 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.53 2bkc h ARG 63 CO 0.07 1.11 -0.06 1.25 2.80 0.00 0.00 179.97 185.14 2bkc h LEU 64 N 0.30 -0.19 -0.81 3.80 5.85 -1.09 -1.53 115.31 121.65 2bkc h LEU 64 Ca -0.03 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.91 2bkc h LEU 64 Cb 1.19 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 2bkc h LEU 64 CO 0.12 -0.08 0.30 -0.07 -0.34 0.00 0.00 178.44 178.36 2bkc h LEU 65 N -0.07 0.21 -0.86 2.25 -0.00 -1.24 0.17 115.31 115.77 2bkc h LEU 65 Ca 0.05 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 2bkc h LEU 65 Cb 0.14 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2bkc h LEU 65 CO -0.12 0.02 -0.15 0.00 -0.00 0.00 0.00 178.44 178.19 2bkc h ALA 66 N 1.63 0.97 -0.63 1.53 0.00 -0.48 -1.96 119.26 120.33 2bkc h ALA 66 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bkc h ALA 66 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bkc h ALA 66 CO -0.49 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.39 2bkc n ILE 67 N -3.23 1.68 -0.71 0.00 -5.35 -0.87 -4.95 119.36 105.93 2bkc n ILE 67 Ca 0.01 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 2bkc n ILE 67 Cb 0.45 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.15 0.60 3.46 3.28 0.00 -0.74 -5.06 105.19 107.88 2bkc n GLY 68 Ca 0.25 -0.43 -0.22 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 -2.71 0.28 2.76 -0.02 0.00 0.56 -4.97 105.19 101.11 2bkc n GLY 69 Ca 0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.75 4.07 0.36 1.61 0.01 -1.26 -4.24 113.70 109.50 2bkc s SER 70 Ca 0.61 -1.66 -0.27 0.00 1.31 0.00 0.00 55.95 55.93 2bkc s SER 70 Cb -0.03 -0.93 -0.09 0.00 0.21 0.00 0.00 66.02 65.17 2bkc s SER 70 CO 0.41 -0.41 1.26 -2.16 0.41 0.00 0.00 173.24 172.74 2bkc s PRO 71 N 1.55 4.22 0.65 12.44 0.04 -1.26 -5.00 135.00 147.64 2bkc s PRO 71 Ca 0.09 2.08 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 2bkc s PRO 71 Cb -0.17 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 2bkc s PRO 71 CO -0.23 -0.25 1.15 1.19 0.04 0.00 0.00 177.00 178.90 2bkc n PHE 72 N 0.51 1.42 -2.16 0.56 0.99 -1.26 -4.95 117.46 112.57 2bkc n PHE 72 Ca 0.02 0.42 -0.06 0.00 -0.00 0.00 0.00 57.45 57.83 2bkc n PHE 72 Cb 0.43 -2.20 -0.03 0.00 -1.00 0.00 0.00 39.48 36.69 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 -1.60 -0.99 -4.15 4.37 3.41 -1.26 -4.98 113.62 108.43 2bkc n SER 73 Ca 0.15 -2.04 -0.16 0.00 -0.26 0.00 0.00 58.87 56.55 2bkc n SER 73 Cb 0.48 0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.01 0.95 0.29 6.66 -4.23 -1.26 -5.02 115.64 113.02 2bkc s THR 74 Ca 0.03 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2bkc s THR 74 Cb 0.11 -1.01 0.29 0.00 1.34 0.00 0.00 72.50 73.23 2bkc s THR 74 CO -0.03 -0.32 1.79 -0.07 -0.54 0.00 0.00 174.62 175.46 2bkc h LEU 75 N 4.22 0.81 0.19 4.79 4.07 -1.99 -2.12 115.31 125.27 2bkc h LEU 75 Ca -0.39 0.08 0.01 0.00 0.08 0.00 0.00 57.88 57.66 2bkc h LEU 75 Cb 1.19 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 2bkc h LEU 75 CO 0.42 0.34 -0.29 0.50 -1.08 0.00 0.00 178.44 178.33 2bkc h LYS 76 N 0.83 -0.53 0.00 1.13 3.64 -2.00 -2.23 116.57 117.40 2bkc h LYS 76 Ca 0.54 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.92 2bkc h LYS 76 Cb 0.74 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2bkc h LYS 76 CO -0.34 -0.35 -0.20 0.93 -2.27 0.00 0.00 179.45 177.21 2bkc h GLU 77 N -0.55 0.00 -0.26 1.90 5.08 -1.91 -2.21 114.58 116.63 2bkc h GLU 77 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2bkc h GLU 77 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2bkc h GLU 77 CO -0.13 0.20 -0.31 0.74 -1.00 0.00 0.00 179.01 178.51 2bkc h PHE 78 N 0.00 0.80 -0.68 4.33 0.05 -0.82 -2.44 116.94 118.18 2bkc h PHE 78 Ca -0.00 -0.25 -0.07 0.00 3.82 0.00 0.00 57.97 61.46 2bkc h PHE 78 Cb 0.36 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 2bkc h PHE 78 CO 0.00 0.99 0.14 -0.07 -0.18 0.00 0.00 178.31 179.19 2bkc h LEU 79 N 0.38 1.05 -1.64 1.54 3.38 -1.23 -1.46 115.31 117.32 2bkc h LEU 79 Ca 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2bkc h LEU 79 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2bkc h LEU 79 CO 0.07 1.02 -0.19 -0.33 0.09 0.00 0.00 178.44 179.11 2bkc h GLU 80 N 1.02 0.00 0.00 1.13 5.08 -1.31 -3.28 114.58 117.22 2bkc h GLU 80 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2bkc h GLU 80 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2bkc h GLU 80 CO 0.01 0.19 -0.84 0.09 -1.00 0.00 0.00 179.01 177.45 2bkc n ASN 81 N -3.72 1.18 -4.77 1.42 4.13 -0.93 -5.04 115.26 107.53 2bkc n ASN 81 Ca -0.02 -0.50 -0.38 0.00 1.68 0.00 0.00 54.58 55.36 2bkc n ASN 81 Cb 0.30 1.17 -0.04 0.00 -1.54 0.00 0.00 39.78 39.67 2bkc n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkc s ALA 82 N -2.27 3.25 -0.84 5.41 0.00 -0.56 -4.90 121.76 121.85 2bkc s ALA 82 Ca 0.01 0.78 0.19 0.00 0.00 0.00 0.00 51.96 52.94 2bkc s ALA 82 Cb 0.08 -3.29 -0.22 0.00 0.00 0.00 0.00 23.12 19.69 2bkc s ALA 82 CO 0.45 -0.15 0.79 -1.13 0.00 0.00 0.00 175.76 175.71 2bkc n SER 83 N 0.61 0.87 -4.71 0.00 3.41 -1.26 -4.92 113.62 107.62 2bkc n SER 83 Ca 0.02 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.32 2bkc n SER 83 Cb 0.47 1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.86 3.89 0.13 -3.33 1.01 -1.26 -5.01 120.40 112.97 2bkc s VAL 84 Ca 0.06 1.35 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 2bkc s VAL 84 Cb 0.14 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2bkc s VAL 84 CO 0.79 0.10 0.46 -1.61 0.00 0.00 0.00 175.10 174.84 2bkc s GLU 85 N 1.13 3.80 0.32 2.72 2.02 -1.26 -5.01 118.70 122.42 2bkc s GLU 85 Ca 0.60 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.85 2bkc s GLU 85 Cb -0.31 -2.89 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 2bkc s GLU 85 CO 0.29 0.48 0.08 -1.83 0.02 0.00 0.00 175.26 174.30 2bkc s GLU 86 N -2.20 1.62 -0.25 1.61 -1.05 -1.26 -5.01 118.70 112.16 2bkc s GLU 86 Ca 0.38 -1.90 -0.27 0.00 -0.15 0.00 0.00 54.97 53.03 2bkc s GLU 86 Cb -0.13 -0.68 0.13 0.00 -0.44 0.00 0.00 34.13 33.00 2bkc s GLU 86 CO 0.20 -0.25 1.07 0.00 0.95 0.00 0.00 175.26 177.24 2bkc s ALA 87 N -3.41 -1.99 0.82 -0.84 0.00 -1.26 -5.16 121.76 109.92 2bkc s ALA 87 Ca 0.36 1.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.96 2bkc s ALA 87 Cb 0.08 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 22.03 2bkc s ALA 87 CO 0.15 -0.24 1.18 -2.14 0.00 0.00 0.00 175.76 174.71 2bkc s PRO 88 N -0.24 1.59 -0.56 0.00 0.02 -1.26 -4.92 135.00 129.64 2bkc s PRO 88 Ca 0.02 1.66 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 2bkc s PRO 88 Cb -0.03 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.78 2bkc s PRO 88 CO -0.05 -2.23 0.70 -0.47 -0.33 0.00 0.00 177.00 174.63 2bkc s TYR 89 N -2.32 2.99 0.00 6.54 5.04 -1.26 -4.90 117.35 123.44 2bkc s TYR 89 Ca 0.71 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 2bkc s TYR 89 Cb -0.26 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.21 2bkc s TYR 89 CO 0.52 -1.21 0.00 0.25 -1.34 0.00 0.00 175.55 173.77 2bkc n THR 90 N 5.63 0.00 -3.43 4.34 -2.24 -1.26 -5.03 114.28 112.30 2bkc n THR 90 Ca -0.07 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 2bkc n THR 90 Cb 0.44 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.03 3.83 0.80 -0.78 -2.85 -1.26 -5.03 119.74 114.42 2bkc s LYS 91 Ca 0.00 0.30 -0.15 0.00 -1.00 0.00 0.00 55.97 55.12 2bkc s LYS 91 Cb 0.00 -2.75 -0.02 0.00 -2.06 0.00 0.00 37.83 33.00 2bkc s LYS 91 CO 0.00 0.38 0.45 -0.35 0.10 0.00 0.00 175.35 175.93 2bkc n PRO 92 N 0.18 0.12 -3.96 1.78 -0.04 -1.26 -5.03 135.00 126.79 2bkc n PRO 92 Ca -0.02 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2bkc n PRO 92 Cb 0.52 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bkc s LYS 93 N -2.99 0.37 0.46 0.54 1.02 -1.26 -5.16 119.74 112.73 2bkc s LYS 93 Ca 0.62 -0.58 -0.20 0.00 0.02 0.00 0.00 55.97 55.83 2bkc s LYS 93 Cb -0.30 0.14 -0.10 0.00 -0.52 0.00 0.00 37.83 37.05 2bkc s LYS 93 CO 0.62 -0.07 0.99 0.95 -0.92 0.00 0.00 175.35 176.91 2bkc s THR 94 N -1.54 4.20 0.33 2.17 -4.23 -1.26 -4.80 115.64 110.50 2bkc s THR 94 Ca -0.15 1.32 0.12 0.00 -1.18 0.00 0.00 61.69 61.80 2bkc s THR 94 Cb -0.09 -3.56 0.32 0.00 1.34 0.00 0.00 72.50 70.52 2bkc s THR 94 CO -0.01 -0.34 1.67 -0.03 -0.54 0.00 0.00 174.62 175.37 2bkc h MET 95 N 1.64 0.31 -0.04 3.99 4.05 -1.98 -0.41 114.93 122.50 2bkc h MET 95 Ca -0.49 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 58.76 2bkc h MET 95 Cb 1.19 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 2bkc h MET 95 CO 0.60 0.21 -0.68 -0.44 0.23 0.00 0.00 176.91 176.83 2bkc h ASP 96 N 0.32 0.21 -0.31 1.39 3.32 -1.96 -1.28 116.42 118.12 2bkc h ASP 96 Ca 0.69 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.56 2bkc h ASP 96 Cb 1.53 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 2bkc h ASP 96 CO -0.61 0.83 0.00 1.56 -1.72 0.00 0.00 179.24 179.30 2bkc h GLN 97 N 0.12 0.55 -0.55 3.56 4.20 -1.50 -0.04 115.11 121.45 2bkc h GLN 97 Ca -0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2bkc h GLN 97 Cb 1.21 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 2bkc h GLN 97 CO 0.10 0.68 0.30 -0.07 -0.67 0.00 0.00 178.83 179.18 2bkc h LEU 98 N 0.35 0.68 0.00 1.46 3.38 -1.15 -0.85 115.31 119.17 2bkc h LEU 98 Ca 0.09 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2bkc h LEU 98 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2bkc h LEU 98 CO 0.02 0.55 -0.89 0.24 0.09 0.00 0.00 178.44 178.45 2bkc h MET 99 N 0.77 0.00 0.00 1.13 2.86 -1.18 -2.27 114.93 116.24 2bkc h MET 99 Ca 0.20 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2bkc h MET 99 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2bkc h MET 99 CO -0.03 0.71 -0.48 0.93 1.06 0.00 0.00 176.91 179.09 2bkc h GLU 100 N 0.00 0.00 0.00 1.72 4.39 -0.61 -1.86 114.58 118.22 2bkc h GLU 100 Ca -0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2bkc h GLU 100 Cb 1.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2bkc h GLU 100 CO 0.09 0.48 -0.10 0.22 -1.16 0.00 0.00 179.01 178.55 2bkc h ASP 101 N 0.00 0.00 0.02 1.42 3.58 -0.90 -2.18 116.42 118.37 2bkc h ASP 101 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2bkc h ASP 101 Cb 0.86 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.91 2bkc h ASP 101 CO 0.06 0.10 -0.26 0.25 -2.88 0.00 0.00 179.24 176.51 2bkc h LEU 102 N 0.00 0.20 -0.13 2.28 6.46 -1.13 -2.97 115.31 120.02 2bkc h LEU 102 Ca -0.00 -0.85 -0.01 0.00 -0.12 0.00 0.00 57.88 56.90 2bkc h LEU 102 Cb 0.89 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 2bkc h LEU 102 CO 0.01 1.03 0.05 0.58 -0.62 0.00 0.00 178.44 179.49 2bkc h VAL 103 N -0.60 1.15 -0.76 1.05 2.07 -1.38 -0.99 116.25 116.79 2bkc h VAL 103 Ca -0.04 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.13 2bkc h VAL 103 Cb 1.09 1.23 -0.13 0.00 -1.52 0.00 0.00 31.29 31.96 2bkc h VAL 103 CO 0.05 0.14 -0.43 1.23 0.02 0.00 0.00 177.57 178.58 2bkc h GLY 104 N 0.04 -0.31 1.23 2.17 0.00 -1.51 0.20 103.07 104.89 2bkc h GLY 104 Ca 0.04 0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.91 2bkc h GLY 104 CO -0.00 -0.15 0.33 -0.84 0.00 0.00 0.00 176.54 175.88 2bkc h THR 105 N -0.12 1.23 -0.95 4.70 2.02 -1.30 -0.92 112.91 117.56 2bkc h THR 105 Ca 0.23 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2bkc h THR 105 Cb 0.55 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2bkc h THR 105 CO -0.81 0.27 0.58 -0.07 0.37 0.00 0.00 175.52 175.86 2bkc h LEU 106 N 1.00 1.14 -0.65 2.58 3.38 -0.31 -1.30 115.31 121.15 2bkc h LEU 106 Ca 0.24 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2bkc h LEU 106 Cb 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2bkc h LEU 106 CO -0.03 0.87 -0.40 -0.33 0.09 0.00 0.00 178.44 178.64 2bkc h GLU 107 N 1.31 0.60 -0.38 1.13 5.08 -0.46 -0.06 114.58 121.80 2bkc h GLU 107 Ca 0.34 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2bkc h GLU 107 Cb -0.07 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2bkc h GLU 107 CO -0.07 0.90 0.19 1.25 -1.00 0.00 0.00 179.01 180.28 2bkc h LEU 108 N 0.49 0.49 -0.61 1.33 6.46 -0.68 -1.77 115.31 121.03 2bkc h LEU 108 Ca 0.04 -0.12 -0.15 0.00 -0.12 0.00 0.00 57.88 57.53 2bkc h LEU 108 Cb 0.91 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2bkc h LEU 108 CO 0.08 0.47 -0.66 -0.07 -0.62 0.00 0.00 178.44 177.64 2bkc h LEU 109 N 0.48 0.17 -0.70 2.25 3.38 -1.14 -1.99 115.31 117.75 2bkc h LEU 109 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bkc h LEU 109 Cb 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2bkc h LEU 109 CO -0.02 0.78 0.38 -0.09 0.09 0.00 0.00 178.44 179.58 2bkc h ARG 110 N 0.10 0.99 -0.13 1.13 2.43 -0.87 -1.54 114.38 116.48 2bkc h ARG 110 Ca -0.01 -0.12 -0.22 0.00 -0.81 0.00 0.00 59.98 58.82 2bkc h ARG 110 Cb 1.19 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 2bkc h ARG 110 CO 0.10 0.75 -0.79 -0.44 -1.51 0.00 0.00 179.97 178.08 2bkc h ASP 111 N 0.97 0.86 -0.31 -3.80 3.32 -1.16 -1.91 116.42 114.39 2bkc h ASP 111 Ca 0.25 -0.57 -0.11 0.00 0.02 0.00 0.00 57.03 56.61 2bkc h ASP 111 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2bkc h ASP 111 CO -0.04 1.36 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.28 2bkc h GLU 112 N 0.49 0.71 -0.23 3.56 5.08 -1.41 -2.59 114.58 120.19 2bkc h GLU 112 Ca -0.05 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2bkc h GLU 112 Cb 1.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2bkc h GLU 112 CO 0.16 0.96 0.12 1.88 -1.00 0.00 0.00 179.01 181.12 2bkc h TYR 113 N 0.46 0.29 -0.29 4.33 -1.99 -1.25 -0.15 116.97 118.38 2bkc h TYR 113 Ca 0.06 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2bkc h TYR 113 Cb 0.79 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 2bkc h TYR 113 CO 0.07 0.21 0.09 -0.22 -0.00 0.00 0.00 178.16 178.31 2bkc h LYS 114 N 0.31 0.45 -0.40 4.88 1.63 -1.18 0.99 116.57 123.25 2bkc h LYS 114 Ca 0.08 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 2bkc h LYS 114 Cb 0.02 -0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.50 2bkc h LYS 114 CO -0.01 0.51 -0.21 0.37 -3.45 0.00 0.00 179.45 176.66 2bkc h GLN 115 N 0.30 -0.13 -0.09 1.90 4.15 -0.97 -2.08 115.11 118.19 2bkc h GLN 115 Ca 0.09 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2bkc h GLN 115 Cb 0.25 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2bkc h GLN 115 CO -0.00 -0.08 -0.05 0.78 -1.93 0.00 0.00 178.83 177.54 2bkc h GLY 116 N -0.13 0.14 0.99 2.39 0.00 -0.65 -1.32 103.07 104.48 2bkc h GLY 116 Ca 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2bkc h GLY 116 CO -0.49 0.07 -0.01 -2.22 0.00 0.00 0.00 176.54 173.89 2bkc h ILE 117 N 0.13 1.26 -0.18 2.60 2.04 -0.15 -1.59 117.51 121.62 2bkc h ILE 117 Ca 0.03 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 2bkc h ILE 117 Cb 0.18 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2bkc h ILE 117 CO 0.01 0.37 -0.04 -0.33 0.00 0.00 0.00 178.15 178.16 2bkc h GLU 118 N 0.65 0.33 -0.96 2.37 5.08 -1.05 -2.08 114.58 118.92 2bkc h GLU 118 Ca 0.13 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2bkc h GLU 118 Cb 0.51 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 2bkc h GLU 118 CO 0.03 0.59 0.63 1.25 -1.00 0.00 0.00 179.01 180.51 2bkc h LEU 119 N 0.05 1.07 0.00 1.33 5.85 -1.22 -1.29 115.31 121.11 2bkc h LEU 119 Ca 0.05 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2bkc h LEU 119 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2bkc h LEU 119 CO 0.02 0.76 -0.77 0.00 -0.34 0.00 0.00 178.44 178.11 2bkc h THR 120 N 1.26 0.63 -0.01 1.05 1.03 -1.25 -1.61 112.91 114.01 2bkc h THR 120 Ca 0.37 -1.97 -0.03 0.00 -0.01 0.00 0.00 66.41 64.76 2bkc h THR 120 Cb -0.07 2.21 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2bkc h THR 120 CO -0.10 0.36 -0.12 -0.78 -0.01 0.00 0.00 175.52 174.87 2bkc h ASP 121 N 0.00 0.13 -0.54 0.00 3.58 -1.02 -1.89 116.42 116.69 2bkc h ASP 121 Ca -0.05 -0.72 0.11 0.00 0.42 0.00 0.00 57.03 56.79 2bkc h ASP 121 Cb 1.39 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.31 2bkc h ASP 121 CO 0.05 0.83 -0.01 0.11 -2.88 0.00 0.00 179.24 177.34 2bkc h LYS 122 N -0.56 0.10 0.00 0.28 1.79 -1.28 -3.09 116.57 113.82 2bkc h LYS 122 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2bkc h LYS 122 Cb 0.83 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2bkc h LYS 122 CO 0.02 0.07 0.00 1.49 -1.08 0.00 0.00 179.45 179.95 2bkc h GLU 123 N 0.11 0.00 0.00 3.15 4.81 -1.31 -3.47 114.58 117.87 2bkc h GLU 123 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2bkc h GLU 123 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2bkc h GLU 123 CO -0.46 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.23 2bkc n GLY 124 N 0.24 0.74 3.44 1.92 0.00 -1.04 -5.01 105.19 105.48 2bkc n GLY 124 Ca 0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.08 6.88 0.38 1.61 3.68 -0.74 -4.87 116.67 121.54 2bkc s ASP 125 Ca 0.00 -2.61 0.07 0.00 2.13 0.00 0.00 52.55 52.14 2bkc s ASP 125 Cb 0.00 -2.38 0.77 0.00 -1.45 0.00 0.00 42.92 39.86 2bkc s ASP 125 CO 0.00 -0.84 1.96 0.44 0.13 0.00 0.00 175.17 176.86 2bkc h ASP 126 N 7.87 0.39 -0.11 -0.34 3.32 -1.96 -2.63 116.42 122.96 2bkc h ASP 126 Ca 0.23 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 57.01 2bkc h ASP 126 Cb 0.95 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.41 2bkc h ASP 126 CO 1.14 0.41 -0.76 0.58 -1.72 0.00 0.00 179.24 178.90 2bkc h VAL 127 N 0.42 1.29 -0.22 -1.35 2.07 -1.96 -2.28 116.25 114.22 2bkc h VAL 127 Ca 0.10 -1.97 -0.11 0.00 0.82 0.00 0.00 66.70 65.54 2bkc h VAL 127 Cb 0.20 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2bkc h VAL 127 CO -0.00 0.62 -0.28 0.74 0.02 0.00 0.00 177.57 178.68 2bkc h THR 128 N 0.52 1.33 -0.76 2.57 2.02 -1.94 -2.30 112.91 114.36 2bkc h THR 128 Ca -0.05 -1.47 0.15 0.00 0.77 0.00 0.00 66.41 65.81 2bkc h THR 128 Cb 1.38 1.76 -0.14 0.00 -1.74 0.00 0.00 68.15 69.41 2bkc h THR 128 CO 0.15 0.45 -0.22 -1.13 0.37 0.00 0.00 175.52 175.15 2bkc h ASN 129 N 0.26 -0.81 -0.30 4.18 -0.73 -1.50 -0.65 115.58 116.04 2bkc h ASN 129 Ca 0.03 0.23 -0.13 0.00 1.87 0.00 0.00 56.30 58.30 2bkc h ASN 129 Cb 0.85 0.50 -0.00 0.00 0.27 0.00 0.00 38.32 39.94 2bkc h ASN 129 CO 0.07 -0.26 -0.34 -0.78 -0.37 0.00 0.00 177.43 175.74 2bkc h ASP 130 N -0.02 0.81 -0.70 1.15 3.58 -1.24 -2.25 116.42 117.75 2bkc h ASP 130 Ca 0.35 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.32 2bkc h ASP 130 Cb 0.56 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2bkc h ASP 130 CO -0.79 1.13 0.47 -0.03 -2.88 0.00 0.00 179.24 177.14 2bkc h MET 131 N 0.51 0.92 -0.02 0.28 4.05 -0.93 -2.00 114.93 117.75 2bkc h MET 131 Ca 0.04 -0.06 -0.21 0.00 -0.28 0.00 0.00 59.70 59.20 2bkc h MET 131 Cb 0.92 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2bkc h MET 131 CO 0.08 0.61 -0.88 -0.07 0.23 0.00 0.00 176.91 176.88 2bkc h LEU 132 N 0.95 0.47 -1.05 3.39 4.07 -0.75 -2.78 115.31 119.61 2bkc h LEU 132 Ca 0.26 -0.36 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 2bkc h LEU 132 Cb -0.11 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.48 2bkc h LEU 132 CO -0.06 1.15 -0.46 0.40 -1.08 0.00 0.00 178.44 178.40 2bkc h ILE 133 N 0.22 1.33 -0.15 1.22 2.04 -1.19 -1.70 117.51 119.28 2bkc h ILE 133 Ca -0.06 -1.58 -0.15 0.00 1.00 0.00 0.00 64.86 64.07 2bkc h ILE 133 Cb 1.50 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2bkc h ILE 133 CO 0.15 0.45 -0.53 0.00 0.00 0.00 0.00 178.15 178.22 2bkc h ALA 134 N 1.51 0.81 -0.14 1.87 0.00 -1.22 -2.37 119.26 119.72 2bkc h ALA 134 Ca -0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 2bkc h ALA 134 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2bkc h ALA 134 CO 0.06 0.68 -0.63 0.74 0.00 0.00 0.00 179.25 180.11 2bkc h PHE 135 N 0.33 0.63 -0.34 0.00 0.05 -1.22 -2.96 116.94 113.44 2bkc h PHE 135 Ca 0.01 -0.25 -0.08 0.00 3.82 0.00 0.00 57.97 61.47 2bkc h PHE 135 Cb 1.04 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.86 2bkc h PHE 135 CO 0.03 0.99 -0.13 -0.22 -0.18 0.00 0.00 178.31 178.79 2bkc h LYS 136 N 0.36 0.60 -0.75 1.51 3.64 -1.31 -0.96 116.57 119.66 2bkc h LYS 136 Ca -0.01 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2bkc h LYS 136 Cb 1.18 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2bkc h LYS 136 CO 0.11 0.71 0.36 0.00 -2.27 0.00 0.00 179.45 178.37 2bkc h ALA 137 N 1.31 1.21 0.02 5.00 0.00 -1.26 -0.07 119.26 125.48 2bkc h ALA 137 Ca 0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 2bkc h ALA 137 Cb 0.55 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bkc h ALA 137 CO 0.03 0.60 -0.96 1.03 0.00 0.00 0.00 179.25 179.96 2bkc h SER 138 N 1.07 0.81 -0.52 0.00 0.87 -1.39 -2.66 113.55 111.72 2bkc h SER 138 Ca 0.26 -0.76 0.05 0.00 -1.23 0.00 0.00 61.79 60.11 2bkc h SER 138 Cb 0.11 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 2bkc h SER 138 CO -0.03 1.47 0.25 0.40 -0.53 0.00 0.00 176.83 178.39 2bkc h ILE 139 N 0.24 0.94 -0.35 2.23 2.04 -1.04 -1.76 117.51 119.80 2bkc h ILE 139 Ca -0.12 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2bkc h ILE 139 Cb 1.63 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2bkc h ILE 139 CO 0.19 0.09 0.18 0.44 0.00 0.00 0.00 178.15 179.05 2bkc h ASP 140 N 0.49 0.44 -0.79 1.72 3.32 -1.03 -0.77 116.42 119.81 2bkc h ASP 140 Ca 0.23 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2bkc h ASP 140 Cb 0.16 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 2bkc h ASP 140 CO -0.17 0.41 0.46 0.50 -1.72 0.00 0.00 179.24 178.72 2bkc h LYS 141 N 0.43 0.80 -0.15 3.56 3.64 -1.26 -1.58 116.57 122.00 2bkc h LYS 141 Ca 0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2bkc h LYS 141 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2bkc h LYS 141 CO -0.02 0.53 -0.38 0.45 -2.27 0.00 0.00 179.45 177.75 2bkc h HIS 142 N 0.82 0.37 -0.23 1.91 3.86 -0.78 -1.65 115.15 119.45 2bkc h HIS 142 Ca 0.36 -0.10 -0.19 0.00 -1.16 0.00 0.00 60.37 59.28 2bkc h HIS 142 Cb 0.24 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2bkc h HIS 142 CO -0.06 0.66 -0.61 0.82 0.86 0.00 0.00 177.93 179.61 2bkc h ILE 143 N 0.27 1.29 -0.04 2.45 2.04 -0.90 -1.69 117.51 120.93 2bkc h ILE 143 Ca 0.03 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.10 2bkc h ILE 143 Cb 0.80 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2bkc h ILE 143 CO 0.06 0.58 -0.10 -0.25 0.00 0.00 0.00 178.15 178.45 2bkc h TRP 144 N 0.59 -0.24 -0.33 1.37 7.01 -0.87 -1.95 115.95 121.53 2bkc h TRP 144 Ca -0.00 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2bkc h TRP 144 Cb 1.21 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.37 2bkc h TRP 144 CO 0.07 -0.15 -0.01 0.52 -2.79 0.00 0.00 178.44 176.08 2bkc h MET 145 N -0.14 0.58 0.00 2.65 2.86 -1.22 -1.71 114.93 117.95 2bkc h MET 145 Ca 0.05 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2bkc h MET 145 Cb 0.21 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2bkc h MET 145 CO -0.13 0.72 -0.03 0.74 1.06 0.00 0.00 176.91 179.27 2bkc h PHE 146 N 0.38 0.00 0.07 -0.22 -1.00 -1.32 -0.95 116.94 113.90 2bkc h PHE 146 Ca 0.09 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.59 2bkc h PHE 146 Cb 0.46 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.05 2bkc h PHE 146 CO 0.04 0.03 -1.14 0.87 -1.61 0.00 0.00 178.31 176.50 2bkc h LYS 147 N 0.00 0.66 0.00 1.51 1.79 -1.12 -2.88 116.57 116.52 2bkc h LYS 147 Ca -0.00 -0.79 -0.07 0.00 -2.18 0.00 0.00 60.65 57.60 2bkc h LYS 147 Cb 0.81 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2bkc h LYS 147 CO 0.00 1.35 -0.35 0.00 -1.08 0.00 0.00 179.45 179.37 2bkc h ALA 148 N 0.33 1.35 -0.13 3.86 0.00 -1.02 -1.41 119.26 122.23 2bkc h ALA 148 Ca -0.16 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2bkc h ALA 148 Cb 1.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2bkc h ALA 148 CO 0.22 0.44 -0.20 0.35 0.00 0.00 0.00 179.25 180.06 2bkc h PHE 149 N 0.00 0.24 -0.44 0.00 3.57 -1.09 -2.83 116.94 116.38 2bkc h PHE 149 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2bkc h PHE 149 Cb 0.65 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2bkc h PHE 149 CO 0.00 0.42 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 2bkc n LEU 150 N -4.22 2.42 -1.47 0.59 4.77 -0.68 -4.95 117.00 113.46 2bkc n LEU 150 Ca -0.01 -1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 54.69 2bkc n LEU 150 Cb 0.32 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2bkc n LEU 150 CO 0.39 0.60 0.07 0.61 -1.33 0.00 0.00 177.39 177.73 2bkc n GLY 151 N 1.23 0.45 3.11 -0.72 0.00 -1.06 -5.05 105.19 103.15 2bkc n GLY 151 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.37 0.60 0.65 1.61 1.02 -0.62 -5.01 119.74 112.62 2bkc s LYS 152 Ca 0.18 -0.93 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 2bkc s LYS 152 Cb -0.08 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2bkc s LYS 152 CO 0.22 -0.14 1.05 0.00 -0.92 0.00 0.00 175.35 175.56 2bkc s ALA 153 N -3.12 2.86 0.15 5.17 0.00 -1.26 -3.12 121.76 122.44 2bkc s ALA 153 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2bkc s ALA 153 Cb 0.02 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2bkc s ALA 153 CO -0.07 -0.96 1.57 -1.35 0.00 0.00 0.00 175.76 174.95 2bkc h PRO 154 N -0.44 0.94 -1.07 0.00 0.11 -1.87 -2.94 132.00 126.73 2bkc h PRO 154 Ca -0.44 -0.36 -0.49 0.00 0.11 0.00 0.00 66.00 64.83 2bkc h PRO 154 Cb 1.20 -0.06 -0.25 0.00 0.11 0.00 0.00 31.00 32.01 2bkc h PRO 154 CO 0.59 1.02 0.62 1.28 -0.21 0.00 0.00 178.00 181.30 2bkc n LEU 155 N -4.22 6.62 0.00 2.35 4.77 -1.26 -4.88 117.00 120.39 2bkc n LEU 155 Ca 0.00 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 2bkc n LEU 155 Cb 0.39 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2bkc n LEU 155 CO 0.45 1.14 0.00 -0.62 -1.33 0.00 0.00 177.39 177.03