#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 3.16 0.20 4.52 -4.77 -1.26 -5.04 116.67 113.48 2bkc s ASP 8 Ca 0.00 -1.40 -0.09 0.00 -3.30 0.00 0.00 52.55 47.76 2bkc s ASP 8 Cb 0.00 -0.17 0.12 0.00 -1.09 0.00 0.00 42.92 41.79 2bkc s ASP 8 CO 0.00 -0.56 1.74 0.74 0.70 0.00 0.00 175.17 177.78 2bkc h THR 9 N 1.91 1.26 -0.37 2.11 2.02 -1.99 -0.84 112.91 117.00 2bkc h THR 9 Ca -0.42 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 65.87 2bkc h THR 9 Cb 1.25 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2bkc h THR 9 CO 0.74 0.35 0.23 0.11 0.37 0.00 0.00 175.52 177.33 2bkc h LYS 10 N 1.08 0.46 -0.49 6.66 1.57 -1.97 -1.98 116.57 121.90 2bkc h LYS 10 Ca 0.24 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2bkc h LYS 10 Cb 0.30 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2bkc h LYS 10 CO -0.01 0.30 -0.03 0.93 -0.57 0.00 0.00 179.45 180.08 2bkc h GLU 11 N 0.47 0.88 0.03 3.15 5.08 -1.85 -1.98 114.58 120.36 2bkc h GLU 11 Ca 0.14 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2bkc h GLU 11 Cb -0.03 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2bkc h GLU 11 CO -0.05 0.93 -0.25 0.35 -1.00 0.00 0.00 179.01 179.00 2bkc h PHE 12 N 0.74 -0.66 -0.68 4.33 3.57 -1.03 -1.90 116.94 121.31 2bkc h PHE 12 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2bkc h PHE 12 Cb 0.55 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2bkc h PHE 12 CO 0.04 -0.34 0.37 -0.07 -2.23 0.00 0.00 178.31 176.08 2bkc h LEU 13 N -0.40 0.85 -0.77 0.59 4.07 -1.07 -1.57 115.31 117.01 2bkc h LEU 13 Ca 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2bkc h LEU 13 Cb 0.47 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 2bkc h LEU 13 CO -0.20 0.71 0.46 -1.13 -1.08 0.00 0.00 178.44 177.19 2bkc h ASN 14 N 0.93 0.93 -0.52 -0.43 -1.24 -1.34 -0.15 115.58 113.75 2bkc h ASN 14 Ca 0.24 -0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.23 2bkc h ASN 14 Cb 0.05 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.82 2bkc h ASN 14 CO -0.04 0.72 0.25 -0.74 -1.29 0.00 0.00 177.43 176.34 2bkc h HIS 15 N 1.05 0.46 -0.02 0.67 2.76 -0.59 -1.46 115.15 118.02 2bkc h HIS 15 Ca 0.27 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2bkc h HIS 15 Cb -0.03 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2bkc h HIS 15 CO -0.01 0.21 -0.27 1.96 -1.30 0.00 0.00 177.93 178.52 2bkc h GLN 16 N 0.48 0.03 -0.58 5.26 1.08 -0.38 -1.82 115.11 119.19 2bkc h GLN 16 Ca 0.24 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.52 2bkc h GLN 16 Cb 0.17 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.53 2bkc h GLN 16 CO -0.18 0.31 0.19 0.28 -0.95 0.00 0.00 178.83 178.48 2bkc h VAL 17 N 0.03 0.75 0.12 -0.54 2.07 0.02 -0.13 116.25 118.58 2bkc h VAL 17 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2bkc h VAL 17 Cb 0.50 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2bkc h VAL 17 CO 0.04 0.07 -0.06 0.00 0.02 0.00 0.00 177.57 177.63 2bkc h ALA 18 N 1.42 -0.16 -0.97 1.67 0.00 -1.14 -2.71 119.26 117.36 2bkc h ALA 18 Ca 0.30 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2bkc h ALA 18 Cb 0.38 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2bkc h ALA 18 CO -0.32 -0.45 0.59 -0.91 0.00 0.00 0.00 179.25 178.16 2bkc h ASN 19 N -0.43 0.81 0.59 0.00 2.35 -1.10 -2.06 115.58 115.74 2bkc h ASN 19 Ca -0.02 0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.60 2bkc h ASN 19 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2bkc h ASN 19 CO 0.03 0.38 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.19 2bkc h LEU 20 N 0.86 0.28 -0.81 1.61 4.07 -1.00 -0.46 115.31 119.86 2bkc h LEU 20 Ca 0.51 -0.24 -0.11 0.00 0.08 0.00 0.00 57.88 58.12 2bkc h LEU 20 Cb 0.64 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2bkc h LEU 20 CO -0.32 1.06 -0.54 0.78 -1.08 0.00 0.00 178.44 178.35 2bkc h ASN 21 N 0.11 0.00 -0.10 -0.43 2.35 -1.14 -0.59 115.58 115.78 2bkc h ASN 21 Ca -0.05 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 2bkc h ASN 21 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.95 2bkc h ASN 21 CO 0.14 0.54 -0.36 0.58 -1.65 0.00 0.00 177.43 176.68 2bkc h VAL 22 N 0.00 1.39 -0.29 2.81 2.07 -1.16 -3.19 116.25 117.90 2bkc h VAL 22 Ca -0.01 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2bkc h VAL 22 Cb 1.03 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2bkc h VAL 22 CO 0.07 0.50 0.17 0.15 0.02 0.00 0.00 177.57 178.49 2bkc h PHE 23 N -0.03 0.38 -0.89 1.57 3.57 -0.95 -1.64 116.94 118.94 2bkc h PHE 23 Ca -0.02 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2bkc h PHE 23 Cb 0.99 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 2bkc h PHE 23 CO 0.12 0.27 0.55 0.00 -2.23 0.00 0.00 178.31 177.02 2bkc h THR 24 N 0.37 0.98 -0.36 4.41 1.03 -1.23 -1.76 112.91 116.35 2bkc h THR 24 Ca 0.10 -0.33 -0.13 0.00 -0.01 0.00 0.00 66.41 66.04 2bkc h THR 24 Cb 0.01 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.03 2bkc h THR 24 CO -0.02 0.17 -0.30 0.58 -0.01 0.00 0.00 175.52 175.94 2bkc h VAL 25 N 0.95 1.28 -0.96 0.00 2.07 -1.46 -2.79 116.25 115.34 2bkc h VAL 25 Ca 0.41 -1.46 0.17 0.00 0.82 0.00 0.00 66.70 66.64 2bkc h VAL 25 Cb 0.29 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 2bkc h VAL 25 CO -0.21 0.48 0.61 0.50 0.02 0.00 0.00 177.57 178.97 2bkc h LYS 26 N 0.63 0.72 -0.38 1.57 3.64 -1.01 -0.54 116.57 121.19 2bkc h LYS 26 Ca 0.06 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 2bkc h LYS 26 Cb 0.88 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2bkc h LYS 26 CO 0.08 0.47 -0.33 0.82 -2.27 0.00 0.00 179.45 178.22 2bkc h ILE 27 N 0.74 1.28 -0.75 2.00 2.04 -1.08 -0.66 117.51 121.07 2bkc h ILE 27 Ca 0.51 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2bkc h ILE 27 Cb 0.82 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 2bkc h ILE 27 CO -0.28 0.50 0.45 0.45 0.00 0.00 0.00 178.15 179.27 2bkc h HIS 28 N 0.73 1.00 -0.39 1.37 3.86 -1.19 -1.78 115.15 118.75 2bkc h HIS 28 Ca 0.07 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2bkc h HIS 28 Cb 0.90 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2bkc h HIS 28 CO 0.05 0.68 0.16 0.37 0.86 0.00 0.00 177.93 180.06 2bkc h GLN 29 N 1.03 0.33 -0.45 2.45 4.15 -0.38 0.45 115.11 122.70 2bkc h GLN 29 Ca 0.27 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 2bkc h GLN 29 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2bkc h GLN 29 CO -0.05 0.22 0.14 0.82 -1.93 0.00 0.00 178.83 178.03 2bkc h ILE 30 N 0.34 1.22 -0.62 2.39 2.04 -0.96 -2.06 117.51 119.87 2bkc h ILE 30 Ca 0.17 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2bkc h ILE 30 Cb 0.12 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2bkc h ILE 30 CO -0.15 0.27 0.26 -0.74 0.00 0.00 0.00 178.15 177.78 2bkc h HIS 31 N 0.59 0.93 -0.08 1.37 2.76 -1.14 -0.97 115.15 118.61 2bkc h HIS 31 Ca 0.14 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 58.10 2bkc h HIS 31 Cb 0.27 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2bkc h HIS 31 CO 0.01 0.72 -0.60 -1.49 -1.30 0.00 0.00 177.93 175.27 2bkc h TRP 32 N 0.86 0.36 0.00 5.26 6.55 -0.78 -3.34 115.95 124.86 2bkc h TRP 32 Ca 0.21 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.91 2bkc h TRP 32 Cb 0.18 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2bkc h TRP 32 CO 0.01 0.81 -0.81 0.66 -1.05 0.00 0.00 178.44 178.06 2bkc n TYR 33 N -3.88 0.00 -1.87 0.49 4.02 -0.79 -5.00 117.16 110.14 2bkc n TYR 33 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.62 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.95 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 -2.58 3.59 0.03 -0.72 0.23 -0.37 -4.96 119.30 114.51 2bkc s MET 34 Ca 0.06 2.28 -0.01 0.00 -1.03 0.00 0.00 55.69 56.99 2bkc s MET 34 Cb 0.13 -2.55 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2bkc s MET 34 CO 0.68 -0.85 -0.02 1.03 -2.03 0.00 0.00 175.02 173.84 2bkc s ARG 35 N -2.56 0.44 0.00 3.16 0.52 -1.26 -4.98 118.95 114.28 2bkc s ARG 35 Ca 0.63 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2bkc s ARG 35 Cb -0.41 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.22 2bkc s ARG 35 CO 0.51 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.16 2bkc n GLY 36 N 0.99 0.54 0.26 -3.53 0.00 -1.26 -4.35 105.19 97.84 2bkc n GLY 36 Ca -0.20 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.45 1.61 3.86 -2.06 -1.58 115.15 116.53 2bkc h HIS 37 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2bkc h HIS 37 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2bkc h HIS 37 CO 0.00 0.13 0.06 0.09 0.86 0.00 0.00 177.93 179.08 2bkc n ASN 38 N -3.56 4.25 -0.23 2.45 4.13 -1.26 -4.60 115.26 116.44 2bkc n ASN 38 Ca -0.01 -2.73 -0.06 0.00 1.68 0.00 0.00 54.58 53.46 2bkc n ASN 38 Cb 0.27 -0.65 0.04 0.00 -1.54 0.00 0.00 39.78 37.90 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 2.53 0.87 -0.02 3.10 3.57 -1.60 -1.00 116.94 124.39 2bkc h PHE 39 Ca 0.06 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bkc h PHE 39 Cb 1.66 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2bkc h PHE 39 CO 0.83 0.63 -0.05 0.74 -2.23 0.00 0.00 178.31 178.22 2bkc h PHE 40 N 0.86 0.10 -0.25 0.41 -1.00 -1.85 -1.72 116.94 113.49 2bkc h PHE 40 Ca 0.22 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.85 2bkc h PHE 40 Cb 0.05 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 2bkc h PHE 40 CO -0.01 0.65 -0.30 1.79 -1.61 0.00 0.00 178.31 178.83 2bkc h THR 41 N -0.48 1.31 0.00 -1.55 1.35 -1.87 -2.72 112.91 108.95 2bkc h THR 41 Ca -0.00 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 2bkc h THR 41 Cb 0.65 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 2bkc h THR 41 CO 0.01 0.47 -0.30 0.25 -0.25 0.00 0.00 175.52 175.69 2bkc h LEU 42 N 0.36 0.00 -0.25 3.87 5.85 -1.31 -2.40 115.31 121.42 2bkc h LEU 42 Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bkc h LEU 42 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2bkc h LEU 42 CO 0.07 0.30 -0.02 1.23 -0.34 0.00 0.00 178.44 179.68 2bkc h GLY 43 N 2.95 0.50 1.84 3.75 0.00 -1.15 -1.89 103.07 109.07 2bkc h GLY 43 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2bkc h GLY 43 CO 0.04 0.35 -0.45 0.83 0.00 0.00 0.00 176.54 177.32 2bkc h GLU 44 N 0.23 0.18 -0.68 4.80 5.08 -1.47 -2.12 114.58 120.59 2bkc h GLU 44 Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 44 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2bkc h GLU 44 CO 0.02 0.59 0.41 -0.22 -1.00 0.00 0.00 179.01 178.81 2bkc h LYS 45 N 0.15 0.93 -0.03 2.33 1.63 -1.29 -2.70 116.57 117.59 2bkc h LYS 45 Ca 0.01 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 2bkc h LYS 45 Cb 0.85 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2bkc h LYS 45 CO 0.07 0.67 -0.34 0.52 -3.45 0.00 0.00 179.45 176.92 2bkc h MET 46 N 0.93 0.05 0.33 1.90 2.86 -0.88 -0.88 114.93 119.24 2bkc h MET 46 Ca 0.24 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2bkc h MET 46 Cb -0.02 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2bkc h MET 46 CO -0.04 0.38 -0.16 -0.44 1.06 0.00 0.00 176.91 177.71 2bkc h ASP 47 N 0.04 -0.37 -0.59 1.22 3.32 -1.11 0.68 116.42 119.61 2bkc h ASP 47 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 2bkc h ASP 47 Cb 0.62 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 2bkc h ASP 47 CO 0.05 -0.25 0.26 0.44 -1.72 0.00 0.00 179.24 178.01 2bkc h ASP 48 N -0.46 0.32 -0.37 6.45 3.32 -1.31 -1.84 116.42 122.53 2bkc h ASP 48 Ca -0.05 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2bkc h ASP 48 Cb 0.35 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2bkc h ASP 48 CO 0.07 0.20 0.17 0.25 -1.72 0.00 0.00 179.24 178.21 2bkc h LEU 49 N 0.48 0.49 -0.61 1.55 5.85 -1.03 -1.59 115.31 120.46 2bkc h LEU 49 Ca 0.29 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2bkc h LEU 49 Cb 0.29 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 2bkc h LEU 49 CO -0.25 0.50 0.12 0.22 -0.34 0.00 0.00 178.44 178.69 2bkc h TYR 50 N 0.46 0.19 -0.26 1.25 5.03 -0.34 -0.59 116.97 122.71 2bkc h TYR 50 Ca 0.13 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 2bkc h TYR 50 Cb 0.15 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 2bkc h TYR 50 CO -0.01 -0.04 -0.03 0.77 -1.32 0.00 0.00 178.16 177.53 2bkc h SER 51 N 0.25 0.48 -0.69 -2.11 0.02 -1.10 -1.05 113.55 109.35 2bkc h SER 51 Ca 0.32 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2bkc h SER 51 Cb 0.48 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2bkc h SER 51 CO -0.41 0.70 0.15 -0.08 -1.14 0.00 0.00 176.83 176.05 2bkc h GLU 52 N 0.25 1.13 0.00 3.45 4.81 -0.86 -0.86 114.58 122.49 2bkc h GLU 52 Ca 0.07 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 2bkc h GLU 52 Cb 0.48 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2bkc h GLU 52 CO 0.02 1.01 -0.54 0.74 -0.73 0.00 0.00 179.01 179.51 2bkc h PHE 53 N 1.06 0.00 -0.47 0.92 -1.00 -1.09 -1.03 116.94 115.33 2bkc h PHE 53 Ca 0.22 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 2bkc h PHE 53 Cb 0.40 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2bkc h PHE 53 CO 0.03 0.54 0.11 0.78 -1.61 0.00 0.00 178.31 178.16 2bkc h GLY 54 N 2.85 0.81 1.41 -1.45 0.00 -0.87 -2.05 103.07 103.77 2bkc h GLY 54 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 2bkc h GLY 54 CO 0.07 0.48 -0.11 0.83 0.00 0.00 0.00 176.54 177.81 2bkc h GLU 55 N 0.63 0.70 -0.38 4.80 5.08 -0.90 -1.67 114.58 122.84 2bkc h GLU 55 Ca 0.15 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2bkc h GLU 55 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2bkc h GLU 55 CO 0.00 0.79 0.01 1.96 -1.00 0.00 0.00 179.01 180.77 2bkc h GLN 56 N 0.64 0.66 -0.53 2.33 4.20 -1.12 -1.28 115.11 120.01 2bkc h GLN 56 Ca 0.11 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.69 2bkc h GLN 56 Cb 0.56 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 2bkc h GLN 56 CO 0.04 0.76 0.20 1.98 -0.67 0.00 0.00 178.83 181.13 2bkc h MET 57 N 0.49 0.37 -0.16 1.46 4.05 -1.18 0.12 114.93 120.06 2bkc h MET 57 Ca 0.11 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2bkc h MET 57 Cb 0.45 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2bkc h MET 57 CO 0.02 0.24 0.10 -0.44 0.23 0.00 0.00 176.91 177.06 2bkc h ASP 58 N 0.38 0.19 -0.83 1.39 3.45 -1.23 -1.11 116.42 118.67 2bkc h ASP 58 Ca 0.26 -0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.70 2bkc h ASP 58 Cb 0.29 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 2bkc h ASP 58 CO -0.26 0.17 0.55 -0.33 -1.57 0.00 0.00 179.24 177.80 2bkc h GLU 59 N 0.20 1.07 -0.04 3.56 5.08 -0.74 0.18 114.58 123.88 2bkc h GLU 59 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bkc h GLU 59 Cb 0.01 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2bkc h GLU 59 CO -0.01 0.71 0.00 0.28 -1.00 0.00 0.00 179.01 178.99 2bkc h VAL 60 N 1.10 1.24 -0.12 3.13 2.07 -0.56 -1.55 116.25 121.57 2bkc h VAL 60 Ca 0.31 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2bkc h VAL 60 Cb -0.10 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2bkc h VAL 60 CO -0.07 0.20 0.07 0.00 0.02 0.00 0.00 177.57 177.79 2bkc h ALA 61 N 0.72 0.15 0.00 1.67 0.00 -0.89 -1.31 119.26 119.59 2bkc h ALA 61 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bkc h ALA 61 Cb 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bkc h ALA 61 CO 0.00 -0.37 -0.15 0.93 0.00 0.00 0.00 179.25 179.65 2bkc h GLU 62 N 0.15 0.00 0.08 0.00 5.08 -0.96 -0.29 114.58 118.63 2bkc h GLU 62 Ca 0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2bkc h GLU 62 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2bkc h GLU 62 CO -0.02 0.15 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.45 2bkc h ARG 63 N 0.00 0.27 -0.65 2.33 9.65 -0.85 -2.01 114.38 123.12 2bkc h ARG 63 Ca -0.00 -0.40 0.12 0.00 -1.10 0.00 0.00 59.98 58.60 2bkc h ARG 63 Cb 0.37 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.00 2bkc h ARG 63 CO 0.02 1.15 0.21 1.25 2.80 0.00 0.00 179.97 185.40 2bkc h LEU 64 N -0.42 0.15 -0.49 3.80 5.85 -1.06 -1.01 115.31 122.12 2bkc h LEU 64 Ca -0.10 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2bkc h LEU 64 Cb 1.43 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.50 2bkc h LEU 64 CO 0.12 0.07 0.11 -0.07 -0.34 0.00 0.00 178.44 178.33 2bkc h LEU 65 N 0.36 0.03 -1.67 2.25 -0.00 -1.06 -0.92 115.31 114.29 2bkc h LEU 65 Ca 0.34 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 58.27 2bkc h LEU 65 Cb 0.49 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2bkc h LEU 65 CO -0.38 0.04 -0.15 0.00 -0.00 0.00 0.00 178.44 177.95 2bkc h ALA 66 N 1.37 1.19 -0.33 1.53 0.00 -0.42 -2.20 119.26 120.40 2bkc h ALA 66 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bkc h ALA 66 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bkc h ALA 66 CO -0.31 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.58 2bkc n ILE 67 N -3.55 0.42 0.00 0.00 -5.35 -0.84 -4.98 119.36 105.07 2bkc n ILE 67 Ca -0.01 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2bkc n ILE 67 Cb 0.30 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 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 1.38 1.07 2.65 3.28 0.00 -0.83 -5.07 105.19 107.68 2bkc n GLY 68 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.85 2.11 2.52 -0.02 0.00 -0.38 -5.03 105.19 102.54 2bkc n GLY 69 Ca 0.00 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.41 3.37 0.46 1.61 0.01 -1.26 -4.27 113.70 110.20 2bkc s SER 70 Ca 0.38 -1.53 -0.24 0.00 1.31 0.00 0.00 55.95 55.86 2bkc s SER 70 Cb -0.03 -0.36 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 2bkc s SER 70 CO 0.24 -0.40 1.33 -2.16 0.41 0.00 0.00 173.24 172.65 2bkc s PRO 71 N 1.82 3.68 0.37 12.44 0.04 -1.26 -4.98 135.00 147.11 2bkc s PRO 71 Ca 0.11 2.19 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2bkc s PRO 71 Cb -0.18 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.68 2bkc s PRO 71 CO -0.27 -0.74 1.35 1.19 0.04 0.00 0.00 177.00 178.57 2bkc n PHE 72 N -0.30 2.47 -2.20 0.56 0.99 -1.26 -4.94 117.46 112.78 2bkc n PHE 72 Ca 0.06 0.51 -0.01 0.00 -0.00 0.00 0.00 57.45 58.01 2bkc n PHE 72 Cb 0.44 -2.44 -0.02 0.00 -1.00 0.00 0.00 39.48 36.45 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 0.54 -0.03 -4.04 4.37 3.41 -1.26 -4.95 113.62 111.66 2bkc n SER 73 Ca 0.04 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 2bkc n SER 73 Cb 0.38 -0.01 -0.11 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 0.27 0.23 6.66 -4.23 -1.26 -5.04 115.64 112.26 2bkc s THR 74 Ca 0.14 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 2bkc s THR 74 Cb 0.16 -0.82 0.18 0.00 1.34 0.00 0.00 72.50 73.36 2bkc s THR 74 CO -0.07 -0.66 1.80 -0.07 -0.54 0.00 0.00 174.62 175.08 2bkc h LEU 75 N 4.02 0.59 -0.50 4.79 4.07 -1.99 -1.55 115.31 124.74 2bkc h LEU 75 Ca -0.34 0.04 0.09 0.00 0.08 0.00 0.00 57.88 57.76 2bkc h LEU 75 Cb 1.18 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.78 2bkc h LEU 75 CO 0.51 0.36 0.04 0.50 -1.08 0.00 0.00 178.44 178.76 2bkc h LYS 76 N 0.72 0.15 -0.19 1.13 3.64 -1.99 0.33 116.57 120.37 2bkc h LYS 76 Ca 0.35 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2bkc h LYS 76 Cb 0.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2bkc h LYS 76 CO -0.23 0.10 -0.38 0.93 -2.27 0.00 0.00 179.45 177.60 2bkc h GLU 77 N 0.16 0.42 0.20 1.90 5.08 -1.89 -1.95 114.58 118.49 2bkc h GLU 77 Ca 0.26 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2bkc h GLU 77 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 77 CO -0.39 0.74 -0.09 0.74 -1.00 0.00 0.00 179.01 179.01 2bkc h PHE 78 N 0.35 -0.24 -0.98 4.33 0.05 -0.15 -2.52 116.94 117.78 2bkc h PHE 78 Ca 0.04 -0.01 0.13 0.00 3.82 0.00 0.00 57.97 61.95 2bkc h PHE 78 Cb 0.83 0.08 -0.08 0.00 2.00 0.00 0.00 35.95 38.78 2bkc h PHE 78 CO 0.02 0.01 0.62 -0.07 -0.18 0.00 0.00 178.31 178.71 2bkc h LEU 79 N -0.47 0.87 -0.92 1.54 3.38 -0.99 0.68 115.31 119.39 2bkc h LEU 79 Ca -0.03 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2bkc h LEU 79 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2bkc h LEU 79 CO 0.04 0.45 -0.36 -0.33 0.09 0.00 0.00 178.44 178.33 2bkc h GLU 80 N 0.92 0.00 -0.00 1.13 5.08 -1.29 -3.36 114.58 117.06 2bkc h GLU 80 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2bkc h GLU 80 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2bkc h GLU 80 CO -0.26 0.36 -0.32 0.09 -1.00 0.00 0.00 179.01 177.89 2bkc n ASN 81 N -3.51 0.38 -4.76 1.42 4.13 -0.86 -5.03 115.26 107.02 2bkc n ASN 81 Ca -0.00 -0.69 -0.40 0.00 1.68 0.00 0.00 54.58 55.17 2bkc n ASN 81 Cb 0.51 0.96 -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 -1.62 3.41 -0.71 5.41 0.00 0.18 -4.82 121.76 123.61 2bkc s ALA 82 Ca 0.03 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.12 2bkc s ALA 82 Cb 0.05 -3.33 0.16 0.00 0.00 0.00 0.00 23.12 20.00 2bkc s ALA 82 CO 0.28 -0.18 1.14 -1.13 0.00 0.00 0.00 175.76 175.87 2bkc n SER 83 N 1.31 0.63 -4.75 0.00 3.41 -1.26 -4.91 113.62 108.04 2bkc n SER 83 Ca -0.01 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 2bkc n SER 83 Cb 0.45 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 2bkc n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bkc s VAL 84 N -3.14 3.15 0.09 -3.33 1.01 -1.26 -5.02 120.40 111.89 2bkc s VAL 84 Ca 0.06 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2bkc s VAL 84 Cb 0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2bkc s VAL 84 CO 0.77 0.21 0.10 -1.61 0.00 0.00 0.00 175.10 174.57 2bkc s GLU 85 N -0.93 2.94 0.09 2.72 2.02 -1.26 -5.00 118.70 119.27 2bkc s GLU 85 Ca 0.51 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.85 2bkc s GLU 85 Cb -0.36 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2bkc s GLU 85 CO 0.43 0.56 -0.10 -1.83 0.02 0.00 0.00 175.26 174.34 2bkc s GLU 86 N -2.49 0.84 -0.03 1.61 -1.05 -1.26 -5.00 118.70 111.32 2bkc s GLU 86 Ca 0.30 -1.13 -0.09 0.00 -0.15 0.00 0.00 54.97 53.90 2bkc s GLU 86 Cb -0.12 -0.55 0.01 0.00 -0.44 0.00 0.00 34.13 33.03 2bkc s GLU 86 CO 0.23 0.09 0.19 0.00 0.95 0.00 0.00 175.26 176.72 2bkc s ALA 87 N -2.32 -0.47 0.63 -0.84 0.00 -1.26 -5.15 121.76 112.35 2bkc s ALA 87 Ca 0.05 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 2bkc s ALA 87 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2bkc s ALA 87 CO 0.00 -0.18 1.14 -1.25 0.00 0.00 0.00 175.76 175.46 2bkc s PRO 88 N -0.89 2.88 -0.28 0.00 0.04 -1.26 -4.95 135.00 130.55 2bkc s PRO 88 Ca -0.10 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 2bkc s PRO 88 Cb -0.05 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2bkc s PRO 88 CO 0.02 -1.21 0.77 -0.47 0.04 0.00 0.00 177.00 176.15 2bkc s TYR 89 N -2.08 3.25 0.17 0.56 5.04 -1.26 -4.86 117.35 118.17 2bkc s TYR 89 Ca 0.70 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 2bkc s TYR 89 Cb -0.23 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 38.98 2bkc s TYR 89 CO 0.37 -0.47 0.00 0.25 -1.34 0.00 0.00 175.55 174.36 2bkc n THR 90 N 5.39 0.32 -2.46 4.34 -2.24 -1.26 -5.04 114.28 113.32 2bkc n THR 90 Ca 0.03 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 2bkc n THR 90 Cb 0.48 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -1.75 4.32 0.13 -0.78 -0.14 -1.26 -4.98 119.74 115.28 2bkc s LYS 91 Ca 0.00 1.65 -0.33 0.00 -1.36 0.00 0.00 55.97 55.94 2bkc s LYS 91 Cb 0.00 -3.61 -0.18 0.00 -1.68 0.00 0.00 37.83 32.36 2bkc s LYS 91 CO 0.00 -0.52 0.79 -2.30 -0.76 0.00 0.00 175.35 172.56 2bkc n PRO 92 N 5.59 0.14 -4.84 -1.68 -0.02 -1.26 -4.97 135.00 127.97 2bkc n PRO 92 Ca 0.12 0.05 -0.27 0.00 -2.02 0.00 0.00 63.50 61.38 2bkc n PRO 92 Cb 0.46 -1.29 -0.16 0.00 -0.02 0.00 0.00 33.50 32.49 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -0.60 2.08 0.81 -0.52 -0.14 -1.26 -5.14 119.74 114.97 2bkc s LYS 93 Ca 0.74 -0.60 -0.13 0.00 -1.36 0.00 0.00 55.97 54.62 2bkc s LYS 93 Cb -1.04 -1.69 0.08 0.00 -1.68 0.00 0.00 37.83 33.50 2bkc s LYS 93 CO 0.56 0.14 1.20 0.99 -0.76 0.00 0.00 175.35 177.48 2bkc s THR 94 N 0.36 2.11 0.19 2.17 2.01 -1.26 -4.82 115.64 116.41 2bkc s THR 94 Ca -0.12 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 2bkc s THR 94 Cb -0.15 -2.44 0.12 0.00 0.01 0.00 0.00 72.50 70.04 2bkc s THR 94 CO 0.05 -0.04 1.72 -0.03 -0.69 0.00 0.00 174.62 175.63 2bkc h MET 95 N -0.92 0.26 -1.00 4.92 4.05 -1.99 -1.82 114.93 118.43 2bkc h MET 95 Ca -0.46 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.04 2bkc h MET 95 Cb 1.29 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.96 2bkc h MET 95 CO 0.46 0.17 0.63 -0.44 0.23 0.00 0.00 176.91 177.96 2bkc h ASP 96 N 0.26 0.96 0.25 1.39 3.32 -1.94 -1.57 116.42 119.10 2bkc h ASP 96 Ca 0.26 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 2bkc h ASP 96 Cb 0.35 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2bkc h ASP 96 CO -0.32 0.56 -0.53 1.56 -1.72 0.00 0.00 179.24 178.79 2bkc h GLN 97 N 1.06 0.31 -0.44 3.56 4.20 -1.72 -0.79 115.11 121.28 2bkc h GLN 97 Ca 0.47 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 2bkc h GLN 97 Cb 0.35 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2bkc h GLN 97 CO -0.23 0.76 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.42 2bkc h LEU 98 N 0.24 0.95 -0.58 1.46 3.38 -1.05 -1.78 115.31 117.93 2bkc h LEU 98 Ca 0.01 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 2bkc h LEU 98 Cb 1.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2bkc h LEU 98 CO 0.09 1.14 -0.39 0.24 0.09 0.00 0.00 178.44 179.61 2bkc h MET 99 N 0.75 0.71 -0.61 1.13 2.86 -1.14 -0.16 114.93 118.47 2bkc h MET 99 Ca 0.10 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 2bkc h MET 99 Cb 0.78 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 2bkc h MET 99 CO 0.06 0.97 0.20 0.93 1.06 0.00 0.00 176.91 180.13 2bkc h GLU 100 N 0.58 0.92 -0.24 1.72 5.08 -1.12 0.23 114.58 121.76 2bkc h GLU 100 Ca 0.05 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2bkc h GLU 100 Cb 0.92 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2bkc h GLU 100 CO 0.08 0.79 0.03 0.22 -1.00 0.00 0.00 179.01 179.13 2bkc h ASP 101 N 0.89 0.39 -0.07 1.42 3.58 -0.88 -1.08 116.42 120.67 2bkc h ASP 101 Ca 0.20 -0.28 0.02 0.00 0.42 0.00 0.00 57.03 57.40 2bkc h ASP 101 Cb 0.25 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2bkc h ASP 101 CO -0.01 0.57 -0.05 0.25 -2.88 0.00 0.00 179.24 177.11 2bkc h LEU 102 N 0.20 -0.17 -0.21 2.28 6.46 -0.53 -1.99 115.31 121.33 2bkc h LEU 102 Ca 0.07 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2bkc h LEU 102 Cb 0.35 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2bkc h LEU 102 CO 0.01 -0.08 -0.01 0.58 -0.62 0.00 0.00 178.44 178.32 2bkc h VAL 103 N -0.06 0.84 -0.90 1.05 2.07 -0.57 -1.46 116.25 117.22 2bkc h VAL 103 Ca 0.05 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 67.75 2bkc h VAL 103 Cb 0.13 0.78 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 2bkc h VAL 103 CO -0.11 0.01 0.44 1.23 0.02 0.00 0.00 177.57 179.16 2bkc h GLY 104 N 0.06 1.54 1.05 2.17 0.00 -0.60 -0.99 103.07 106.29 2bkc h GLY 104 Ca 0.10 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 2bkc h GLY 104 CO -0.18 -0.18 -0.65 -0.84 0.00 0.00 0.00 176.54 174.69 2bkc h THR 105 N 0.51 1.31 -0.68 4.70 2.02 -0.82 -1.34 112.91 118.62 2bkc h THR 105 Ca 0.54 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 2bkc h THR 105 Cb 0.93 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 2bkc h THR 105 CO -0.46 0.59 0.42 -0.07 0.37 0.00 0.00 175.52 176.37 2bkc h LEU 106 N 0.37 0.81 -0.34 2.58 3.38 -0.55 -0.17 115.31 121.39 2bkc h LEU 106 Ca -0.04 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 2bkc h LEU 106 Cb 1.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2bkc h LEU 106 CO 0.14 0.61 -0.58 -0.33 0.09 0.00 0.00 178.44 178.37 2bkc h GLU 107 N 0.94 0.78 -0.26 1.13 5.08 -1.07 0.60 114.58 121.77 2bkc h GLU 107 Ca 0.25 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2bkc h GLU 107 Cb -0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2bkc h GLU 107 CO -0.05 1.14 0.15 1.25 -1.00 0.00 0.00 179.01 180.50 2bkc h LEU 108 N 0.59 0.32 -1.25 1.33 6.46 -0.61 -1.83 115.31 120.32 2bkc h LEU 108 Ca 0.00 -0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 2bkc h LEU 108 Cb 1.18 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 2bkc h LEU 108 CO 0.12 0.31 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.85 2bkc h LEU 109 N 0.31 0.08 -0.58 2.25 3.38 -0.83 -2.31 115.31 117.62 2bkc h LEU 109 Ca 0.09 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2bkc h LEU 109 Cb 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2bkc h LEU 109 CO -0.02 0.41 0.10 -0.09 0.09 0.00 0.00 178.44 178.94 2bkc h ARG 110 N 0.07 0.95 0.05 1.13 2.43 -0.60 -0.87 114.38 117.55 2bkc h ARG 110 Ca 0.01 -0.25 -0.24 0.00 -0.81 0.00 0.00 59.98 58.69 2bkc h ARG 110 Cb 0.62 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2bkc h ARG 110 CO 0.05 0.90 -1.05 -0.44 -1.51 0.00 0.00 179.97 177.91 2bkc h ASP 111 N 0.85 0.34 -0.01 -3.80 3.32 -1.06 -2.03 116.42 114.02 2bkc h ASP 111 Ca 0.18 -0.32 -0.19 0.00 0.02 0.00 0.00 57.03 56.72 2bkc h ASP 111 Cb 0.41 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2bkc h ASP 111 CO 0.01 1.19 -0.68 -0.33 -1.72 0.00 0.00 179.24 177.70 2bkc h GLU 112 N 0.10 0.64 -0.81 3.56 5.08 -1.42 -2.98 114.58 118.75 2bkc h GLU 112 Ca -0.08 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2bkc h GLU 112 Cb 1.75 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 2bkc h GLU 112 CO 0.17 1.10 0.35 1.88 -1.00 0.00 0.00 179.01 181.51 2bkc h TYR 113 N 0.46 1.20 -0.91 4.33 -1.99 -1.12 -1.14 116.97 117.80 2bkc h TYR 113 Ca -0.02 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.70 2bkc h TYR 113 Cb 1.27 -0.37 -0.06 0.00 2.00 0.00 0.00 36.73 39.58 2bkc h TYR 113 CO 0.06 0.89 0.59 -0.22 -0.00 0.00 0.00 178.16 179.48 2bkc h LYS 114 N 1.17 0.98 -0.39 4.88 1.63 -1.37 0.29 116.57 123.75 2bkc h LYS 114 Ca 0.27 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 2bkc h LYS 114 Cb 0.17 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2bkc h LYS 114 CO -0.03 0.65 -0.06 1.96 -3.45 0.00 0.00 179.45 178.52 2bkc h GLN 115 N 1.01 0.66 -0.23 1.90 4.20 -1.23 -2.30 115.11 119.13 2bkc h GLN 115 Ca 0.40 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 2bkc h GLN 115 Cb 0.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2bkc h GLN 115 CO -0.15 0.72 -0.44 0.78 -0.67 0.00 0.00 178.83 179.07 2bkc h GLY 116 N 0.95 0.62 0.98 3.46 0.00 0.04 -1.70 103.07 107.41 2bkc h GLY 116 Ca 0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2bkc h GLY 116 CO 0.02 0.59 0.20 -2.22 0.00 0.00 0.00 176.54 175.13 2bkc h ILE 117 N 0.46 1.22 -0.23 2.60 2.04 -0.24 -2.04 117.51 121.32 2bkc h ILE 117 Ca 0.03 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2bkc h ILE 117 Cb 0.96 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2bkc h ILE 117 CO 0.09 0.26 -0.07 -0.33 0.00 0.00 0.00 178.15 178.10 2bkc h GLU 118 N 0.71 0.44 -0.68 2.37 5.08 -1.33 -2.35 114.58 118.82 2bkc h GLU 118 Ca 0.17 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 118 Cb 0.22 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2bkc h GLU 118 CO -0.01 0.69 0.45 1.25 -1.00 0.00 0.00 179.01 180.39 2bkc h LEU 119 N 0.17 0.77 0.00 1.33 5.85 -1.27 -2.08 115.31 120.08 2bkc h LEU 119 Ca 0.06 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 2bkc h LEU 119 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2bkc h LEU 119 CO 0.02 0.55 -1.34 0.00 -0.34 0.00 0.00 178.44 177.34 2bkc h THR 120 N 0.91 0.63 -0.45 1.05 1.03 -1.35 -1.42 112.91 113.30 2bkc h THR 120 Ca 0.25 -2.17 -0.09 0.00 -0.01 0.00 0.00 66.41 64.39 2bkc h THR 120 Cb -0.08 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 69.15 2bkc h THR 120 CO -0.06 0.36 -0.08 -0.78 -0.01 0.00 0.00 175.52 174.95 2bkc h ASP 121 N 0.00 0.86 0.42 0.00 1.82 -1.24 0.05 116.42 118.33 2bkc h ASP 121 Ca -0.16 -0.35 -0.09 0.00 -0.39 0.00 0.00 57.03 56.05 2bkc h ASP 121 Cb 1.63 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 2bkc h ASP 121 CO 0.06 1.01 -0.42 0.11 -1.61 0.00 0.00 179.24 178.38 2bkc h LYS 122 N 0.69 0.00 -0.00 0.28 6.56 -1.17 -2.46 116.57 120.48 2bkc h LYS 122 Ca 0.12 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2bkc h LYS 122 Cb 0.62 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2bkc h LYS 122 CO 0.04 0.42 -0.19 0.39 -2.06 0.00 0.00 179.45 178.05 2bkc n GLU 123 N -4.04 0.34 -2.40 3.15 1.02 -0.56 -4.95 120.64 113.20 2bkc n GLU 123 Ca -0.02 -0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 56.85 2bkc n GLU 123 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.40 -0.20 3.40 0.62 0.00 -0.92 -4.95 105.19 104.53 2bkc n GLY 124 Ca 0.10 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.47 6.85 0.28 1.61 3.68 -0.04 -4.91 116.67 121.66 2bkc s ASP 125 Ca 0.05 -2.62 -0.00 0.00 2.13 0.00 0.00 52.55 52.11 2bkc s ASP 125 Cb -0.02 -2.32 0.40 0.00 -1.45 0.00 0.00 42.92 39.53 2bkc s ASP 125 CO 0.07 -0.75 1.78 0.44 0.13 0.00 0.00 175.17 176.84 2bkc h ASP 126 N 7.92 0.69 0.11 -0.34 3.32 -1.93 -2.32 116.42 123.87 2bkc h ASP 126 Ca 0.17 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2bkc h ASP 126 Cb 0.98 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2bkc h ASP 126 CO 1.01 0.76 -0.05 0.58 -1.72 0.00 0.00 179.24 179.82 2bkc h VAL 127 N 0.67 1.09 -0.70 -1.35 2.07 -1.96 -2.54 116.25 113.53 2bkc h VAL 127 Ca 0.13 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2bkc h VAL 127 Cb 0.43 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2bkc h VAL 127 CO 0.02 0.23 0.45 0.74 0.02 0.00 0.00 177.57 179.03 2bkc h THR 128 N -0.63 1.19 -0.66 2.57 2.02 -1.96 -1.52 112.91 113.92 2bkc h THR 128 Ca -0.02 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 66.92 2bkc h THR 128 Cb 0.49 0.17 -0.13 0.00 -1.74 0.00 0.00 68.15 66.94 2bkc h THR 128 CO 0.03 0.19 -0.26 -1.13 0.37 0.00 0.00 175.52 174.71 2bkc h ASN 129 N 0.96 -0.93 -0.21 4.18 -0.73 -1.44 -1.48 115.58 115.93 2bkc h ASN 129 Ca 0.26 0.22 -0.18 0.00 1.87 0.00 0.00 56.30 58.47 2bkc h ASN 129 Cb -0.09 0.52 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 2bkc h ASN 129 CO -0.05 -0.27 -0.54 -0.78 -0.37 0.00 0.00 177.43 175.42 2bkc h ASP 130 N -0.08 0.89 0.16 1.15 3.58 -1.02 -2.03 116.42 119.06 2bkc h ASP 130 Ca 0.29 -0.47 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2bkc h ASP 130 Cb 0.54 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 2bkc h ASP 130 CO -0.72 1.25 -0.32 -0.03 -2.88 0.00 0.00 179.24 176.54 2bkc h MET 131 N 0.62 -0.55 -0.96 0.28 4.05 -1.01 -2.37 114.93 114.99 2bkc h MET 131 Ca 0.02 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 2bkc h MET 131 Cb 1.13 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.01 2bkc h MET 131 CO 0.12 -0.37 0.63 -0.07 0.23 0.00 0.00 176.91 177.45 2bkc h LEU 132 N -0.57 1.08 -0.97 3.39 4.07 -1.18 -1.79 115.31 119.35 2bkc h LEU 132 Ca 0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 2bkc h LEU 132 Cb 0.59 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2bkc h LEU 132 CO -0.16 0.77 0.06 0.40 -1.08 0.00 0.00 178.44 178.43 2bkc h ILE 133 N 1.27 1.23 -0.47 1.22 2.04 -1.21 -1.38 117.51 120.22 2bkc h ILE 133 Ca 0.36 -0.92 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 2bkc h ILE 133 Cb -0.11 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2bkc h ILE 133 CO -0.09 0.33 -0.20 0.00 0.00 0.00 0.00 178.15 178.19 2bkc h ALA 134 N 1.29 0.66 -0.41 1.87 0.00 -0.81 -1.32 119.26 120.55 2bkc h ALA 134 Ca 0.16 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2bkc h ALA 134 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 134 CO 0.01 0.64 0.24 0.74 0.00 0.00 0.00 179.25 180.88 2bkc h PHE 135 N 0.82 0.45 -0.92 0.00 0.05 -1.33 -2.70 116.94 113.31 2bkc h PHE 135 Ca 0.11 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.92 2bkc h PHE 135 Cb 0.78 -0.14 -0.05 0.00 2.00 0.00 0.00 35.95 38.54 2bkc h PHE 135 CO 0.05 0.26 0.60 -0.22 -0.18 0.00 0.00 178.31 178.82 2bkc h LYS 136 N 0.49 1.22 -0.73 1.51 3.64 -0.99 -1.25 116.57 120.45 2bkc h LYS 136 Ca 0.16 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 2bkc h LYS 136 Cb 0.01 -0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 31.49 2bkc h LYS 136 CO -0.08 0.81 0.38 0.00 -2.27 0.00 0.00 179.45 178.30 2bkc h ALA 137 N 1.41 1.02 -0.23 5.00 0.00 -0.93 -0.03 119.26 125.50 2bkc h ALA 137 Ca 0.33 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2bkc h ALA 137 Cb -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bkc h ALA 137 CO -0.07 -0.01 -0.49 1.03 0.00 0.00 0.00 179.25 179.71 2bkc h SER 138 N 0.65 0.82 -0.37 0.00 0.87 -1.20 -2.55 113.55 111.77 2bkc h SER 138 Ca 0.36 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2bkc h SER 138 Cb 0.36 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2bkc h SER 138 CO -0.26 1.23 0.23 0.40 -0.53 0.00 0.00 176.83 177.90 2bkc h ILE 139 N 0.46 1.11 -0.90 2.23 2.04 -0.92 -0.83 117.51 120.70 2bkc h ILE 139 Ca 0.00 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2bkc h ILE 139 Cb 1.10 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2bkc h ILE 139 CO 0.11 0.11 0.58 0.44 0.00 0.00 0.00 178.15 179.39 2bkc h ASP 140 N 0.49 0.97 -0.09 1.72 3.32 -1.04 0.56 116.42 122.37 2bkc h ASP 140 Ca 0.13 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2bkc h ASP 140 Cb -0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2bkc h ASP 140 CO -0.03 0.67 -0.27 0.50 -1.72 0.00 0.00 179.24 178.38 2bkc h LYS 141 N 1.13 0.54 -0.22 3.56 3.64 -1.14 -2.58 116.57 121.50 2bkc h LYS 141 Ca 0.36 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2bkc h LYS 141 Cb 0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2bkc h LYS 141 CO -0.12 0.76 -0.32 0.45 -2.27 0.00 0.00 179.45 177.95 2bkc h HIS 142 N 0.47 0.53 0.53 1.91 3.86 -0.37 -2.78 115.15 119.29 2bkc h HIS 142 Ca 0.06 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 2bkc h HIS 142 Cb 0.72 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.07 2bkc h HIS 142 CO 0.03 0.73 -0.25 0.82 0.86 0.00 0.00 177.93 180.11 2bkc h ILE 143 N 0.39 0.43 -0.71 2.45 2.04 -0.76 -1.61 117.51 119.75 2bkc h ILE 143 Ca 0.05 -0.24 0.16 0.00 1.00 0.00 0.00 64.86 65.83 2bkc h ILE 143 Cb 0.76 0.53 -0.12 0.00 -0.74 0.00 0.00 36.82 37.25 2bkc h ILE 143 CO 0.06 0.04 0.05 -0.25 0.00 0.00 0.00 178.15 178.04 2bkc h TRP 144 N -0.87 0.03 -0.36 1.37 7.01 -1.47 0.32 115.95 121.98 2bkc h TRP 144 Ca -0.07 0.05 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 2bkc h TRP 144 Cb 0.60 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 2bkc h TRP 144 CO -0.01 -0.18 -0.15 0.52 -2.79 0.00 0.00 178.44 175.83 2bkc h MET 145 N 0.14 0.74 -0.06 2.65 2.86 -1.20 0.16 114.93 120.23 2bkc h MET 145 Ca 0.39 -0.31 -0.22 0.00 -2.06 0.00 0.00 59.70 57.50 2bkc h MET 145 Cb 0.67 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2bkc h MET 145 CO -0.59 0.92 -0.84 0.74 1.06 0.00 0.00 176.91 178.20 2bkc h PHE 146 N 0.54 0.74 -0.36 -0.22 -1.00 -1.05 0.05 116.94 115.65 2bkc h PHE 146 Ca 0.08 -0.36 0.01 0.00 2.81 0.00 0.00 57.97 60.51 2bkc h PHE 146 Cb 0.68 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 2bkc h PHE 146 CO 0.06 1.16 0.22 0.87 -1.61 0.00 0.00 178.31 179.01 2bkc h LYS 147 N 0.34 0.44 -0.81 1.51 1.79 -0.89 -0.53 116.57 118.42 2bkc h LYS 147 Ca -0.06 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.44 2bkc h LYS 147 Cb 1.46 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.96 2bkc h LYS 147 CO 0.15 0.29 0.53 0.00 -1.08 0.00 0.00 179.45 179.35 2bkc h ALA 148 N 1.14 1.59 -0.79 3.86 0.00 -0.41 0.10 119.26 124.75 2bkc h ALA 148 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2bkc h ALA 148 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2bkc h ALA 148 CO -0.05 0.29 0.33 0.35 0.00 0.00 0.00 179.25 180.18 2bkc h PHE 149 N 0.91 1.19 0.00 0.00 3.57 -0.43 -2.02 116.94 120.16 2bkc h PHE 149 Ca 0.35 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2bkc h PHE 149 Cb 0.19 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2bkc h PHE 149 CO -0.00 0.89 0.00 1.28 -2.23 0.00 0.00 178.31 178.25 2bkc n LEU 150 N -4.28 0.59 -0.78 0.59 4.77 -0.11 -4.90 117.00 112.87 2bkc n LEU 150 Ca 0.07 -0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 2bkc n LEU 150 Cb 0.17 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2bkc n LEU 150 CO 0.40 0.15 -0.10 0.61 -1.33 0.00 0.00 177.39 177.12 2bkc n GLY 151 N 0.20 1.07 3.52 -0.72 0.00 -0.76 -5.00 105.19 103.50 2bkc n GLY 151 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.69 1.85 0.62 1.61 1.02 -0.41 -4.99 119.74 116.75 2bkc s LYS 152 Ca 0.00 -1.53 -0.14 0.00 0.02 0.00 0.00 55.97 54.32 2bkc s LYS 152 Cb 0.00 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2bkc s LYS 152 CO 0.00 0.38 1.05 0.00 -0.92 0.00 0.00 175.35 175.86 2bkc s ALA 153 N -2.10 2.74 0.33 5.17 0.00 -1.26 -3.16 121.76 123.48 2bkc s ALA 153 Ca 0.27 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.53 2bkc s ALA 153 Cb -0.07 -3.21 0.59 0.00 0.00 0.00 0.00 23.12 20.43 2bkc s ALA 153 CO 0.15 -0.91 1.97 -1.35 0.00 0.00 0.00 175.76 175.61 2bkc h PRO 154 N 0.09 0.91 -0.53 0.00 0.11 -1.90 -2.72 132.00 127.96 2bkc h PRO 154 Ca -0.46 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.30 2bkc h PRO 154 Cb 1.21 -0.21 -0.18 0.00 0.11 0.00 0.00 31.00 31.94 2bkc h PRO 154 CO 0.57 0.60 0.02 1.28 -0.21 0.00 0.00 178.00 180.27 2bkc n LEU 155 N -4.45 4.85 -0.92 2.35 4.77 -1.26 -4.84 117.00 117.50 2bkc n LEU 155 Ca 0.10 -3.90 0.11 0.00 -0.03 0.00 0.00 56.01 52.29 2bkc n LEU 155 Cb 0.11 -0.67 0.10 0.00 -2.33 0.00 0.00 43.42 40.63 2bkc n LEU 155 CO 0.35 1.34 0.61 -0.62 -1.33 0.00 0.00 177.39 177.74