#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 3.10 0.17 4.52 -4.77 -1.26 -5.06 116.67 113.37 2bkc s ASP 8 Ca 0.00 -1.70 -0.13 0.00 -3.30 0.00 0.00 52.55 47.41 2bkc s ASP 8 Cb 0.00 0.57 0.06 0.00 -1.09 0.00 0.00 42.92 42.46 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 1.67 1.19 -0.69 2.11 2.02 -1.98 -1.48 112.91 115.75 2bkc h THR 9 Ca -0.36 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2bkc h THR 9 Cb 1.28 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2bkc h THR 9 CO 0.59 0.20 0.31 0.11 0.37 0.00 0.00 175.52 177.10 2bkc h LYS 10 N 0.73 1.00 -0.16 6.66 1.57 -1.97 -1.32 116.57 123.08 2bkc h LYS 10 Ca 0.19 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2bkc h LYS 10 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2bkc h LYS 10 CO -0.03 0.81 -0.49 0.93 -0.57 0.00 0.00 179.45 180.10 2bkc h GLU 11 N 0.97 0.41 -0.51 3.15 5.08 -1.96 -2.33 114.58 119.38 2bkc h GLU 11 Ca 0.23 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2bkc h GLU 11 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2bkc h GLU 11 CO -0.03 0.81 0.14 0.35 -1.00 0.00 0.00 179.01 179.28 2bkc h PHE 12 N 0.33 0.85 -0.33 4.33 3.57 -0.84 0.84 116.94 125.68 2bkc h PHE 12 Ca 0.02 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 2bkc h PHE 12 Cb 0.97 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2bkc h PHE 12 CO 0.03 0.74 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.62 2bkc h LEU 13 N 0.70 0.72 -1.04 0.59 4.07 -1.23 -2.01 115.31 117.11 2bkc h LEU 13 Ca 0.16 -0.41 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 2bkc h LEU 13 Cb 0.31 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2bkc h LEU 13 CO -0.00 0.96 0.23 -1.13 -1.08 0.00 0.00 178.44 177.43 2bkc h ASN 14 N 0.47 0.84 -0.63 -0.43 -0.73 -1.34 0.76 115.58 114.52 2bkc h ASN 14 Ca 0.07 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 2bkc h ASN 14 Cb 0.69 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 2bkc h ASN 14 CO 0.05 0.77 0.29 -0.74 -0.37 0.00 0.00 177.43 177.42 2bkc h HIS 15 N 0.90 0.95 0.00 0.67 2.76 -0.49 -2.56 115.15 117.38 2bkc h HIS 15 Ca 0.21 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 2bkc h HIS 15 Cb 0.20 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2bkc h HIS 15 CO 0.01 0.72 -0.65 1.96 -1.30 0.00 0.00 177.93 178.67 2bkc h GLN 16 N 0.94 0.00 -0.99 5.26 1.08 -0.61 -2.06 115.11 118.74 2bkc h GLN 16 Ca 0.23 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.54 2bkc h GLN 16 Cb 0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.49 2bkc h GLN 16 CO -0.02 0.65 0.63 0.28 -0.95 0.00 0.00 178.83 179.41 2bkc h VAL 17 N 0.00 0.94 0.14 -0.54 2.07 -0.49 -1.10 116.25 117.28 2bkc h VAL 17 Ca -0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2bkc h VAL 17 Cb 1.43 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2bkc h VAL 17 CO 0.08 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 2bkc h ALA 18 N 1.53 -0.19 -0.82 1.67 0.00 -1.31 -2.87 119.26 117.27 2bkc h ALA 18 Ca 0.48 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 55.36 2bkc h ALA 18 Cb 0.45 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 2bkc h ALA 18 CO -0.24 -0.26 0.10 -0.91 0.00 0.00 0.00 179.25 177.93 2bkc h ASN 19 N -0.89 -0.22 -0.03 0.00 2.35 -1.29 -2.08 115.58 113.42 2bkc h ASN 19 Ca -0.02 0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2bkc h ASN 19 Cb 0.52 0.32 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 2bkc h ASN 19 CO 0.03 -0.17 -0.58 -0.07 -1.65 0.00 0.00 177.43 174.99 2bkc h LEU 20 N 0.14 0.71 -1.46 1.61 -0.00 -1.22 0.97 115.31 116.05 2bkc h LEU 20 Ca 0.47 -0.39 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 2bkc h LEU 20 Cb 0.89 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2bkc h LEU 20 CO -0.67 1.13 -0.26 0.78 -0.00 0.00 0.00 178.44 179.41 2bkc h ASN 21 N 0.48 0.01 0.57 -0.43 2.35 -1.20 0.56 115.58 117.91 2bkc h ASN 21 Ca 0.00 -0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 2bkc h ASN 21 Cb 1.14 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2bkc h ASN 21 CO 0.11 0.27 -0.90 0.58 -1.65 0.00 0.00 177.43 175.84 2bkc h VAL 22 N 0.01 1.49 -0.14 2.81 2.07 -0.72 -3.23 116.25 118.54 2bkc h VAL 22 Ca -0.00 -2.64 -0.06 0.00 0.82 0.00 0.00 66.70 64.82 2bkc h VAL 22 Cb 0.47 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2bkc h VAL 22 CO 0.03 0.77 -0.15 0.15 0.02 0.00 0.00 177.57 178.40 2bkc h PHE 23 N 0.12 0.42 -0.75 1.57 3.57 -0.29 -2.90 116.94 118.67 2bkc h PHE 23 Ca -0.05 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2bkc h PHE 23 Cb 1.54 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2bkc h PHE 23 CO 0.03 0.75 0.41 0.00 -2.23 0.00 0.00 178.31 177.27 2bkc h THR 24 N -0.03 1.22 -0.04 4.41 1.03 -1.01 0.06 112.91 118.54 2bkc h THR 24 Ca 0.02 -0.55 -0.10 0.00 -0.01 0.00 0.00 66.41 65.77 2bkc h THR 24 Cb 0.68 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.95 2bkc h THR 24 CO 0.04 0.25 -0.44 0.58 -0.01 0.00 0.00 175.52 175.93 2bkc h VAL 25 N 1.05 1.32 -0.40 0.00 2.07 -1.61 -2.44 116.25 116.24 2bkc h VAL 25 Ca 0.27 -1.54 -0.15 0.00 0.82 0.00 0.00 66.70 66.09 2bkc h VAL 25 Cb 0.02 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2bkc h VAL 25 CO -0.04 0.45 -0.33 0.50 0.02 0.00 0.00 177.57 178.16 2bkc h LYS 26 N 0.07 0.92 -0.87 1.57 3.64 -1.06 -0.11 116.57 120.75 2bkc h LYS 26 Ca 0.00 -0.45 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2bkc h LYS 26 Cb 0.81 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 2bkc h LYS 26 CO 0.06 1.11 0.57 0.82 -2.27 0.00 0.00 179.45 179.74 2bkc h ILE 27 N 0.77 1.14 -0.50 2.00 2.04 -0.71 0.23 117.51 122.47 2bkc h ILE 27 Ca 0.08 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 2bkc h ILE 27 Cb 0.91 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2bkc h ILE 27 CO 0.08 0.20 -0.10 0.45 0.00 0.00 0.00 178.15 178.78 2bkc h HIS 28 N 1.08 1.07 -0.47 1.37 3.86 -1.05 -1.44 115.15 119.57 2bkc h HIS 28 Ca 0.35 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2bkc h HIS 28 Cb 0.04 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2bkc h HIS 28 CO -0.00 1.02 0.27 0.37 0.86 0.00 0.00 177.93 180.44 2bkc h GLN 29 N 0.82 0.64 -0.50 2.45 4.15 0.09 0.44 115.11 123.20 2bkc h GLN 29 Ca 0.13 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2bkc h GLN 29 Cb 0.66 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2bkc h GLN 29 CO 0.05 0.49 0.23 0.82 -1.93 0.00 0.00 178.83 178.49 2bkc h ILE 30 N 0.62 1.20 -0.48 2.39 2.04 -0.44 -1.95 117.51 120.88 2bkc h ILE 30 Ca 0.17 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2bkc h ILE 30 Cb 0.02 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2bkc h ILE 30 CO -0.03 0.22 0.00 -0.74 0.00 0.00 0.00 178.15 177.61 2bkc h HIS 31 N 0.67 0.84 0.03 1.37 2.76 -0.81 -2.34 115.15 117.66 2bkc h HIS 31 Ca 0.17 -0.12 -0.27 0.00 -2.20 0.00 0.00 60.37 57.96 2bkc h HIS 31 Cb 0.13 -0.23 0.02 0.00 1.55 0.00 0.00 27.41 28.88 2bkc h HIS 31 CO -0.00 0.77 -1.08 -1.49 -1.30 0.00 0.00 177.93 174.83 2bkc h TRP 32 N 0.74 0.99 -0.02 5.26 6.55 0.10 -3.30 115.95 126.27 2bkc h TRP 32 Ca 0.14 -0.55 0.00 0.00 0.95 0.00 0.00 58.89 59.43 2bkc h TRP 32 Cb 0.44 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 2bkc h TRP 32 CO 0.02 1.39 -0.17 0.66 -1.05 0.00 0.00 178.44 179.29 2bkc n TYR 33 N -3.82 0.00 -2.13 0.49 4.02 -0.76 -4.98 117.16 109.98 2bkc n TYR 33 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.39 2bkc n TYR 33 Cb 0.90 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 40.17 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 -2.25 3.95 0.15 -0.72 0.23 -0.88 -5.00 119.30 114.78 2bkc s MET 34 Ca 0.28 2.04 -0.01 0.00 -1.03 0.00 0.00 55.69 56.98 2bkc s MET 34 Cb 0.20 -2.70 -0.04 0.00 -1.53 0.00 0.00 34.83 30.76 2bkc s MET 34 CO 0.43 -0.47 0.06 1.03 -2.03 0.00 0.00 175.02 174.05 2bkc s ARG 35 N -2.30 1.01 0.00 3.16 0.52 -1.26 -4.99 118.95 115.09 2bkc s ARG 35 Ca 0.58 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2bkc s ARG 35 Cb -0.35 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.27 2bkc s ARG 35 CO 0.45 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.92 2bkc n GLY 36 N -0.16 0.86 0.31 -3.53 0.00 -1.26 -4.43 105.19 96.97 2bkc n GLY 36 Ca -0.04 -2.10 0.19 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.60 1.61 3.86 -2.07 0.57 115.15 118.52 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 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 2bkc n ASN 38 N -2.88 3.89 -0.21 2.45 4.13 -1.26 -4.57 115.26 116.80 2bkc n ASN 38 Ca -0.02 -2.23 0.01 0.00 1.68 0.00 0.00 54.58 54.01 2bkc n ASN 38 Cb 0.14 -0.49 0.12 0.00 -1.54 0.00 0.00 39.78 38.00 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 3.64 0.36 0.10 3.10 3.57 -1.15 -0.45 116.94 126.11 2bkc h PHE 39 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2bkc h PHE 39 Cb 1.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2bkc h PHE 39 CO 0.57 0.07 -0.05 0.74 -2.23 0.00 0.00 178.31 177.41 2bkc h PHE 40 N 0.38 -0.12 -0.31 0.41 -1.00 -1.84 -1.29 116.94 113.17 2bkc h PHE 40 Ca 0.32 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 2bkc h PHE 40 Cb 0.42 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 2bkc h PHE 40 CO -0.18 0.40 0.17 0.00 -1.61 0.00 0.00 178.31 177.08 2bkc h THR 41 N -0.78 1.14 0.00 -1.55 1.03 -1.89 -2.68 112.91 108.17 2bkc h THR 41 Ca -0.01 -0.36 -0.11 0.00 -0.01 0.00 0.00 66.41 65.92 2bkc h THR 41 Cb 0.57 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.45 2bkc h THR 41 CO 0.02 0.14 -0.52 -0.07 -0.01 0.00 0.00 175.52 175.08 2bkc h LEU 42 N 0.38 0.00 -0.63 0.00 4.07 -1.18 -2.56 115.31 115.39 2bkc h LEU 42 Ca 0.11 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.16 2bkc h LEU 42 Cb 0.07 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.74 2bkc h LEU 42 CO -0.02 0.52 0.25 1.23 -1.08 0.00 0.00 178.44 179.34 2bkc h GLY 43 N 1.97 0.90 0.95 0.83 0.00 -1.16 -1.30 103.07 105.27 2bkc h GLY 43 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 2bkc h GLY 43 CO 0.07 -0.01 -0.23 0.83 0.00 0.00 0.00 176.54 177.20 2bkc h GLU 44 N 0.44 0.69 -0.28 4.80 5.08 -1.12 -2.26 114.58 121.93 2bkc h GLU 44 Ca 0.32 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 44 Cb 0.38 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 44 CO -0.30 0.94 0.11 0.87 -1.00 0.00 0.00 179.01 179.63 2bkc h LYS 45 N 0.44 0.39 -0.30 2.33 1.79 -1.30 -1.98 116.57 117.94 2bkc h LYS 45 Ca 0.06 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2bkc h LYS 45 Cb 0.78 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2bkc h LYS 45 CO 0.06 0.34 -0.29 0.52 -1.08 0.00 0.00 179.45 179.00 2bkc h MET 46 N 0.39 0.62 -0.54 3.15 2.86 -0.82 -1.17 114.93 119.42 2bkc h MET 46 Ca 0.10 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2bkc h MET 46 Cb 0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2bkc h MET 46 CO -0.01 0.84 0.25 -0.44 1.06 0.00 0.00 176.91 178.61 2bkc h ASP 47 N 0.54 0.72 -0.59 1.22 3.32 -0.82 -1.24 116.42 119.56 2bkc h ASP 47 Ca 0.07 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2bkc h ASP 47 Cb 0.76 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2bkc h ASP 47 CO 0.06 0.66 0.12 0.44 -1.72 0.00 0.00 179.24 178.80 2bkc h ASP 48 N 0.73 0.91 -0.32 6.45 3.32 -1.19 -2.32 116.42 123.99 2bkc h ASP 48 Ca 0.18 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 2bkc h ASP 48 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2bkc h ASP 48 CO -0.02 0.92 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.27 2bkc h LEU 49 N 0.86 0.72 0.32 1.55 4.07 -1.11 0.02 115.31 121.74 2bkc h LEU 49 Ca 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 2bkc h LEU 49 Cb 0.38 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2bkc h LEU 49 CO 0.01 0.84 -0.15 0.22 -1.08 0.00 0.00 178.44 178.27 2bkc h TYR 50 N 0.67 -0.40 -0.06 1.13 5.03 -1.11 0.14 116.97 122.38 2bkc h TYR 50 Ca 0.12 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.46 2bkc h TYR 50 Cb 0.54 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.90 2bkc h TYR 50 CO 0.03 -0.14 -0.23 0.77 -1.32 0.00 0.00 178.16 177.27 2bkc h SER 51 N -0.62 -0.68 -0.21 -2.11 0.02 -1.35 0.26 113.55 108.86 2bkc h SER 51 Ca -0.04 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2bkc h SER 51 Cb 0.44 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2bkc h SER 51 CO 0.07 -0.29 0.10 -0.08 -1.14 0.00 0.00 176.83 175.49 2bkc h GLU 52 N -0.33 0.20 0.00 3.45 4.81 -0.88 -1.71 114.58 120.14 2bkc h GLU 52 Ca 0.08 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2bkc h GLU 52 Cb 0.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2bkc h GLU 52 CO -0.24 0.13 -0.23 0.74 -0.73 0.00 0.00 179.01 178.68 2bkc h PHE 53 N 0.21 0.00 -0.25 0.92 -1.00 -0.61 -1.65 116.94 114.55 2bkc h PHE 53 Ca 0.09 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 2bkc h PHE 53 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2bkc h PHE 53 CO -0.10 0.23 -0.05 0.78 -1.61 0.00 0.00 178.31 177.55 2bkc h GLY 54 N 1.99 0.52 1.15 -1.45 0.00 -0.65 -2.23 103.07 102.41 2bkc h GLY 54 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2bkc h GLY 54 CO 0.03 0.39 0.08 -2.09 0.00 0.00 0.00 176.54 174.96 2bkc h GLU 55 N 0.23 1.04 -0.70 4.80 4.22 -0.96 -2.21 114.58 121.01 2bkc h GLU 55 Ca 0.07 -0.28 0.02 0.00 0.08 0.00 0.00 59.36 59.25 2bkc h GLU 55 Cb 0.52 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2bkc h GLU 55 CO 0.02 0.96 0.45 0.37 -2.18 0.00 0.00 179.01 178.64 2bkc h GLN 56 N 0.97 0.87 -0.30 1.92 4.15 -1.29 -1.17 115.11 120.26 2bkc h GLN 56 Ca 0.19 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2bkc h GLN 56 Cb 0.44 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2bkc h GLN 56 CO 0.01 0.57 0.20 1.98 -1.93 0.00 0.00 178.83 179.66 2bkc h MET 57 N 0.89 0.39 -0.48 1.69 4.05 -1.11 -0.98 114.93 119.38 2bkc h MET 57 Ca 0.27 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 2bkc h MET 57 Cb -0.04 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 2bkc h MET 57 CO -0.08 0.27 0.23 -0.44 0.23 0.00 0.00 176.91 177.11 2bkc h ASP 58 N 0.40 0.60 -0.31 1.39 3.32 -0.86 -0.50 116.42 120.46 2bkc h ASP 58 Ca 0.11 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 2bkc h ASP 58 Cb -0.04 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2bkc h ASP 58 CO -0.02 0.52 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.43 2bkc h GLU 59 N 0.68 0.89 -0.00 3.56 4.57 -0.89 -1.21 114.58 122.17 2bkc h GLU 59 Ca 0.17 -0.54 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2bkc h GLU 59 Cb 0.07 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2bkc h GLU 59 CO -0.02 1.18 -0.00 0.28 -1.18 0.00 0.00 179.01 179.27 2bkc h VAL 60 N 0.68 1.25 -0.77 0.32 2.07 -0.74 -0.63 116.25 118.44 2bkc h VAL 60 Ca 0.03 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2bkc h VAL 60 Cb 1.11 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 2bkc h VAL 60 CO 0.11 0.19 0.43 0.00 0.02 0.00 0.00 177.57 178.33 2bkc h ALA 61 N 0.69 0.98 0.00 1.67 0.00 -1.07 -0.54 119.26 121.00 2bkc h ALA 61 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2bkc h ALA 61 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bkc h ALA 61 CO 0.00 0.49 -0.54 0.93 0.00 0.00 0.00 179.25 180.12 2bkc h GLU 62 N 1.06 0.00 -0.38 0.00 5.08 -1.21 -1.33 114.58 117.80 2bkc h GLU 62 Ca 0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2bkc h GLU 62 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2bkc h GLU 62 CO -0.05 0.54 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.20 2bkc h ARG 63 N 0.00 0.82 -0.66 2.33 9.65 -0.68 -1.17 114.38 124.67 2bkc h ARG 63 Ca -0.01 -0.37 0.05 0.00 -1.10 0.00 0.00 59.98 58.55 2bkc h ARG 63 Cb 0.97 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.49 2bkc h ARG 63 CO 0.07 1.00 0.38 1.25 2.80 0.00 0.00 179.97 185.47 2bkc h LEU 64 N 0.61 0.59 -0.37 3.80 5.85 -0.63 -1.20 115.31 123.96 2bkc h LEU 64 Ca 0.08 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bkc h LEU 64 Cb 0.78 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2bkc h LEU 64 CO 0.06 0.39 0.24 -0.07 -0.34 0.00 0.00 178.44 178.72 2bkc h LEU 65 N 0.72 0.40 -2.24 2.25 -0.00 -1.18 0.21 115.31 115.47 2bkc h LEU 65 Ca 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2bkc h LEU 65 Cb 0.13 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2bkc h LEU 65 CO -0.15 0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 2bkc h ALA 66 N 1.14 1.77 -0.66 1.53 0.00 -0.01 -1.36 119.26 121.67 2bkc h ALA 66 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2bkc h ALA 66 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bkc h ALA 66 CO -0.04 -0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.65 2bkc n ILE 67 N -4.19 1.78 -0.37 0.00 -5.35 -0.85 -4.95 119.36 105.42 2bkc n ILE 67 Ca -0.03 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 2bkc n ILE 67 Cb 0.09 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.17 0.81 4.00 3.28 0.00 -0.51 -5.07 105.19 108.87 2bkc n GLY 68 Ca 0.26 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2bkc n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bkc s GLY 69 N -2.05 1.75 -0.26 -0.02 0.00 0.05 -4.98 107.32 101.81 2bkc s GLY 69 Ca 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 2bkc s GLY 69 CO 0.00 -1.20 0.03 -0.56 0.00 0.00 0.00 173.10 171.37 2bkc s SER 70 N -4.79 3.73 0.26 1.64 0.01 -1.26 -4.31 113.70 108.98 2bkc s SER 70 Ca 0.68 -1.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 2bkc s SER 70 Cb -0.04 -0.95 -0.10 0.00 0.21 0.00 0.00 66.02 65.14 2bkc s SER 70 CO 0.45 -0.33 1.44 -2.16 0.41 0.00 0.00 173.24 173.05 2bkc s PRO 71 N 1.56 4.26 0.20 12.44 0.04 -1.26 -4.96 135.00 147.28 2bkc s PRO 71 Ca 0.02 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 2bkc s PRO 71 Cb -0.18 -3.10 -0.16 0.00 0.04 0.00 0.00 34.50 31.10 2bkc s PRO 71 CO -0.13 -0.42 1.02 1.19 0.04 0.00 0.00 177.00 178.69 2bkc n PHE 72 N 2.24 0.99 -2.78 0.56 0.99 -1.26 -4.93 117.46 113.26 2bkc n PHE 72 Ca 0.06 0.75 -0.00 0.00 -0.00 0.00 0.00 57.45 58.26 2bkc n PHE 72 Cb 0.40 -2.21 0.06 0.00 -1.00 0.00 0.00 39.48 36.73 2bkc n PHE 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bkc n SER 73 N 1.75 0.97 -3.71 4.37 3.41 -1.26 -4.98 113.62 114.18 2bkc n SER 73 Ca 0.14 -2.05 -0.11 0.00 -0.26 0.00 0.00 58.87 56.58 2bkc n SER 73 Cb 0.26 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.87 0.08 0.39 6.66 -4.23 -1.26 -5.04 115.64 109.36 2bkc s THR 74 Ca 0.24 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2bkc s THR 74 Cb 0.34 -1.02 0.19 0.00 1.34 0.00 0.00 72.50 73.35 2bkc s THR 74 CO -0.06 -0.34 1.95 -0.07 -0.54 0.00 0.00 174.62 175.56 2bkc h LEU 75 N 2.93 0.32 -0.37 4.79 4.07 -1.99 -2.12 115.31 122.94 2bkc h LEU 75 Ca -0.32 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.54 2bkc h LEU 75 Cb 1.21 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 2bkc h LEU 75 CO 0.46 0.39 0.04 0.50 -1.08 0.00 0.00 178.44 178.75 2bkc h LYS 76 N 0.34 0.62 -0.04 1.13 3.64 -1.99 -1.82 116.57 118.44 2bkc h LYS 76 Ca 0.08 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 2bkc h LYS 76 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2bkc h LYS 76 CO 0.01 0.70 -0.52 0.93 -2.27 0.00 0.00 179.45 178.30 2bkc h GLU 77 N 0.45 0.12 -0.21 1.90 5.08 -1.94 -2.24 114.58 117.74 2bkc h GLU 77 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 77 Cb 0.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2bkc h GLU 77 CO 0.01 0.61 0.00 0.74 -1.00 0.00 0.00 179.01 179.37 2bkc h PHE 78 N 0.09 0.40 -0.77 4.33 0.05 -1.12 -2.48 116.94 117.44 2bkc h PHE 78 Ca 0.00 -0.07 -0.03 0.00 3.82 0.00 0.00 57.97 61.69 2bkc h PHE 78 Cb 0.95 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 38.76 2bkc h PHE 78 CO 0.01 0.56 0.37 -0.07 -0.18 0.00 0.00 178.31 178.99 2bkc h LEU 79 N 0.13 1.01 -1.53 1.54 3.38 -1.29 -2.21 115.31 116.35 2bkc h LEU 79 Ca 0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2bkc h LEU 79 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2bkc h LEU 79 CO 0.01 0.86 -0.24 -0.33 0.09 0.00 0.00 178.44 178.84 2bkc h GLU 80 N 1.09 0.00 0.00 1.13 5.08 -1.33 -3.34 114.58 117.21 2bkc h GLU 80 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2bkc h GLU 80 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2bkc h GLU 80 CO -0.03 0.24 -0.86 0.09 -1.00 0.00 0.00 179.01 177.45 2bkc n ASN 81 N -3.86 0.97 -4.73 1.42 4.13 -0.94 -5.03 115.26 107.22 2bkc n ASN 81 Ca -0.02 -0.59 -0.41 0.00 1.68 0.00 0.00 54.58 55.25 2bkc n ASN 81 Cb 0.33 1.16 -0.04 0.00 -1.54 0.00 0.00 39.78 39.68 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 -2.38 3.28 -0.14 5.41 0.00 -0.86 -4.87 121.76 122.20 2bkc s ALA 82 Ca 0.02 0.41 0.22 0.00 0.00 0.00 0.00 51.96 52.61 2bkc s ALA 82 Cb 0.09 -3.16 0.52 0.00 0.00 0.00 0.00 23.12 20.58 2bkc s ALA 82 CO 0.52 -0.06 1.66 0.66 0.00 0.00 0.00 175.76 178.54 2bkc h SER 83 N 6.07 0.00 -2.96 0.00 4.64 -1.92 -3.45 113.55 115.94 2bkc h SER 83 Ca -0.42 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 2bkc h SER 83 Cb 1.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2bkc h SER 83 CO 0.73 0.22 0.76 -0.69 -0.87 0.00 0.00 176.83 176.98 2bkc s VAL 84 N -3.30 3.17 0.15 0.95 1.01 -1.26 -5.02 120.40 116.10 2bkc s VAL 84 Ca 0.04 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 2bkc s VAL 84 Cb 0.08 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2bkc s VAL 84 CO 0.67 0.06 0.37 -1.61 0.00 0.00 0.00 175.10 174.60 2bkc s GLU 85 N 1.17 3.60 0.11 2.72 2.02 -1.26 -5.01 118.70 122.05 2bkc s GLU 85 Ca 0.66 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 55.56 2bkc s GLU 85 Cb -0.38 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2bkc s GLU 85 CO 0.30 0.46 -0.10 -1.83 0.02 0.00 0.00 175.26 174.12 2bkc s GLU 86 N -2.73 0.90 0.01 1.61 -1.05 -1.26 -5.01 118.70 111.17 2bkc s GLU 86 Ca 0.41 -1.25 -0.08 0.00 -0.15 0.00 0.00 54.97 53.90 2bkc s GLU 86 Cb -0.12 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.05 2bkc s GLU 86 CO 0.25 0.07 0.15 0.00 0.95 0.00 0.00 175.26 176.68 2bkc s ALA 87 N -2.79 -0.32 0.63 -0.84 0.00 -1.26 -5.15 121.76 112.03 2bkc s ALA 87 Ca 0.09 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 2bkc s ALA 87 Cb -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2bkc s ALA 87 CO -0.00 -0.24 1.15 -1.25 0.00 0.00 0.00 175.76 175.41 2bkc s PRO 88 N -1.69 2.85 -0.51 0.00 0.04 -1.26 -4.97 135.00 129.46 2bkc s PRO 88 Ca -0.12 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 2bkc s PRO 88 Cb -0.06 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2bkc s PRO 88 CO 0.00 -1.25 0.72 -0.47 0.04 0.00 0.00 177.00 176.04 2bkc s TYR 89 N -1.98 2.98 0.00 0.56 5.04 -1.26 -4.86 117.35 117.83 2bkc s TYR 89 Ca 0.72 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 2bkc s TYR 89 Cb -0.25 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.39 2bkc s TYR 89 CO 0.37 -1.11 0.00 0.25 -1.34 0.00 0.00 175.55 173.72 2bkc n THR 90 N 5.80 0.00 -1.88 4.34 -2.24 -1.26 -5.04 114.28 114.00 2bkc n THR 90 Ca -0.04 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 2bkc n THR 90 Cb 0.46 -0.59 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.05 3.69 0.45 -0.78 1.02 -1.26 -4.96 119.74 117.83 2bkc s LYS 91 Ca 0.00 2.29 -0.23 0.00 0.02 0.00 0.00 55.97 58.06 2bkc s LYS 91 Cb 0.00 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 2bkc s LYS 91 CO 0.00 -0.77 0.78 -2.30 -0.92 0.00 0.00 175.35 172.14 2bkc n PRO 92 N -0.24 0.92 -3.83 -1.68 -0.02 -1.26 -5.04 135.00 123.85 2bkc n PRO 92 Ca 0.06 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2bkc n PRO 92 Cb 0.43 -1.80 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -1.91 0.04 0.92 -0.52 1.02 -1.26 -5.17 119.74 112.86 2bkc s LYS 93 Ca 0.65 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.63 2bkc s LYS 93 Cb -0.56 -0.04 0.14 0.00 -0.52 0.00 0.00 37.83 36.85 2bkc s LYS 93 CO 0.56 -0.05 1.09 0.95 -0.92 0.00 0.00 175.35 176.99 2bkc s THR 94 N 0.32 2.52 0.22 2.17 -4.23 -1.26 -4.81 115.64 110.56 2bkc s THR 94 Ca -0.02 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 2bkc s THR 94 Cb -0.04 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.28 2bkc s THR 94 CO -0.01 -0.22 1.77 -0.03 -0.54 0.00 0.00 174.62 175.59 2bkc h MET 95 N -1.60 0.53 -0.03 3.99 4.05 -1.99 -0.08 114.93 119.80 2bkc h MET 95 Ca -0.51 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 58.90 2bkc h MET 95 Cb 1.30 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2bkc h MET 95 CO 0.56 0.35 -0.07 -0.44 0.23 0.00 0.00 176.91 177.54 2bkc h ASP 96 N 0.55 -0.20 -0.94 1.39 3.32 -1.95 0.34 116.42 118.93 2bkc h ASP 96 Ca 0.32 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.43 2bkc h ASP 96 Cb 0.33 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2bkc h ASP 96 CO -0.26 -0.10 0.62 1.56 -1.72 0.00 0.00 179.24 179.34 2bkc h GLN 97 N -0.10 1.19 -0.54 3.56 4.20 -1.70 -0.23 115.11 121.48 2bkc h GLN 97 Ca 0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2bkc h GLN 97 Cb 0.16 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2bkc h GLN 97 CO -0.09 0.78 0.21 -0.07 -0.67 0.00 0.00 178.83 178.99 2bkc h LEU 98 N 1.22 0.76 -1.26 1.46 3.38 -0.59 -2.55 115.31 117.73 2bkc h LEU 98 Ca 0.36 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2bkc h LEU 98 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2bkc h LEU 98 CO -0.10 0.73 -0.28 0.24 0.09 0.00 0.00 178.44 179.12 2bkc h MET 99 N 0.74 0.00 0.05 1.13 2.86 0.42 -2.14 114.93 117.98 2bkc h MET 99 Ca 0.18 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.58 2bkc h MET 99 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2bkc h MET 99 CO -0.01 0.28 -1.11 0.93 1.06 0.00 0.00 176.91 178.06 2bkc h GLU 100 N 0.00 0.10 -0.68 1.72 5.08 -0.81 -1.17 114.58 118.82 2bkc h GLU 100 Ca -0.00 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2bkc h GLU 100 Cb 0.70 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2bkc h GLU 100 CO 0.04 1.07 0.13 0.22 -1.00 0.00 0.00 179.01 179.47 2bkc h ASP 101 N 0.03 1.07 -0.33 1.42 3.58 -1.29 0.28 116.42 121.18 2bkc h ASP 101 Ca -0.06 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2bkc h ASP 101 Cb 1.85 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.60 2bkc h ASP 101 CO 0.16 1.05 0.21 0.25 -2.88 0.00 0.00 179.24 178.03 2bkc h LEU 102 N 1.04 0.38 -0.07 2.28 6.46 -1.23 -1.88 115.31 122.29 2bkc h LEU 102 Ca 0.21 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2bkc h LEU 102 Cb 0.42 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2bkc h LEU 102 CO 0.01 0.28 -0.17 0.58 -0.62 0.00 0.00 178.44 178.52 2bkc h VAL 103 N 0.44 1.43 -1.09 1.05 2.07 -1.05 -2.29 116.25 116.80 2bkc h VAL 103 Ca 0.12 -1.52 0.31 0.00 0.82 0.00 0.00 66.70 66.42 2bkc h VAL 103 Cb -0.04 2.26 -0.11 0.00 -1.52 0.00 0.00 31.29 31.87 2bkc h VAL 103 CO -0.03 0.43 0.69 1.23 0.02 0.00 0.00 177.57 179.91 2bkc h GLY 104 N -0.27 1.38 0.99 2.17 0.00 -0.95 -1.38 103.07 105.01 2bkc h GLY 104 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 2bkc h GLY 104 CO 0.04 -0.24 -0.64 -0.84 0.00 0.00 0.00 176.54 174.86 2bkc h THR 105 N 0.33 1.34 -0.92 4.70 2.02 -0.96 -2.40 112.91 117.02 2bkc h THR 105 Ca 0.66 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 2bkc h THR 105 Cb 1.73 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 70.27 2bkc h THR 105 CO -0.37 0.59 0.53 -0.07 0.37 0.00 0.00 175.52 176.57 2bkc h LEU 106 N 0.25 1.13 -0.70 2.58 3.38 -0.84 -1.43 115.31 119.69 2bkc h LEU 106 Ca -0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2bkc h LEU 106 Cb 1.28 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2bkc h LEU 106 CO 0.13 0.88 0.37 -0.33 0.09 0.00 0.00 178.44 179.59 2bkc h GLU 107 N 1.28 0.98 -0.33 1.13 5.08 -1.25 0.45 114.58 121.92 2bkc h GLU 107 Ca 0.33 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2bkc h GLU 107 Cb -0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2bkc h GLU 107 CO -0.06 0.74 0.15 1.25 -1.00 0.00 0.00 179.01 180.09 2bkc h LEU 108 N 0.96 0.44 -0.54 1.33 6.46 -1.05 -0.30 115.31 122.61 2bkc h LEU 108 Ca 0.24 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2bkc h LEU 108 Cb 0.05 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2bkc h LEU 108 CO -0.04 0.46 0.19 -0.07 -0.62 0.00 0.00 178.44 178.36 2bkc h LEU 109 N 0.39 0.77 -0.40 2.25 3.38 -0.74 -0.15 115.31 120.81 2bkc h LEU 109 Ca 0.11 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2bkc h LEU 109 Cb 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2bkc h LEU 109 CO -0.01 0.76 -0.06 -0.09 0.09 0.00 0.00 178.44 179.12 2bkc h ARG 110 N 0.74 0.04 -0.28 1.13 2.43 0.10 0.54 114.38 119.07 2bkc h ARG 110 Ca 0.18 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 2bkc h ARG 110 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2bkc h ARG 110 CO -0.01 0.03 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.63 2bkc h ASP 111 N 0.04 0.72 -0.26 -3.80 3.32 -0.54 -0.99 116.42 114.92 2bkc h ASP 111 Ca 0.19 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 2bkc h ASP 111 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2bkc h ASP 111 CO -0.38 1.04 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.42 2bkc h GLU 112 N 0.56 0.75 -0.61 3.56 5.08 -0.88 -2.60 114.58 120.45 2bkc h GLU 112 Ca 0.05 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2bkc h GLU 112 Cb 0.93 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2bkc h GLU 112 CO 0.08 1.09 0.40 1.88 -1.00 0.00 0.00 179.01 181.46 2bkc h TYR 113 N 0.50 0.66 -0.18 4.33 -1.99 -0.67 -0.76 116.97 118.86 2bkc h TYR 113 Ca 0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2bkc h TYR 113 Cb 1.03 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 2bkc h TYR 113 CO 0.08 0.38 0.12 -0.22 -0.00 0.00 0.00 178.16 178.52 2bkc h LYS 114 N 0.68 0.24 -0.57 4.88 3.11 -1.03 0.40 116.57 124.29 2bkc h LYS 114 Ca 0.25 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.14 2bkc h LYS 114 Cb 0.14 -0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.26 2bkc h LYS 114 CO -0.07 0.17 0.25 1.96 -2.81 0.00 0.00 179.45 178.95 2bkc h GLN 115 N 0.24 0.46 -0.34 1.90 4.20 -0.94 -2.27 115.11 118.36 2bkc h GLN 115 Ca 0.07 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2bkc h GLN 115 Cb -0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2bkc h GLN 115 CO -0.01 0.30 -0.16 0.78 -0.67 0.00 0.00 178.83 179.07 2bkc h GLY 116 N 0.47 0.67 0.91 3.46 0.00 -0.55 -1.58 103.07 106.45 2bkc h GLY 116 Ca 0.27 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2bkc h GLY 116 CO -0.23 0.47 0.10 -2.22 0.00 0.00 0.00 176.54 174.66 2bkc h ILE 117 N 0.56 0.99 -0.40 2.60 2.04 0.13 -1.16 117.51 122.27 2bkc h ILE 117 Ca 0.09 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2bkc h ILE 117 Cb 0.59 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2bkc h ILE 117 CO 0.04 0.04 0.04 -0.33 0.00 0.00 0.00 178.15 177.94 2bkc h GLU 118 N 0.21 0.62 0.01 2.37 5.08 -1.10 -1.66 114.58 120.12 2bkc h GLU 118 Ca 0.08 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2bkc h GLU 118 Cb 0.02 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.19 2bkc h GLU 118 CO -0.06 0.62 -1.03 1.25 -1.00 0.00 0.00 179.01 178.79 2bkc h LEU 119 N 0.60 0.78 -0.77 1.33 6.46 -1.16 -2.69 115.31 119.85 2bkc h LEU 119 Ca 0.13 -0.63 -0.13 0.00 -0.12 0.00 0.00 57.88 57.13 2bkc h LEU 119 Cb 0.32 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2bkc h LEU 119 CO 0.01 1.43 -0.61 0.74 -0.62 0.00 0.00 178.44 179.39 2bkc h THR 120 N 0.33 1.44 -0.09 1.05 2.02 -1.06 -2.01 112.91 114.58 2bkc h THR 120 Ca -0.12 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 64.97 2bkc h THR 120 Cb 1.68 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 70.21 2bkc h THR 120 CO 0.19 0.60 0.01 -0.78 0.37 0.00 0.00 175.52 175.91 2bkc h ASP 121 N 0.01 0.15 -0.97 4.18 3.58 -1.29 -2.34 116.42 119.73 2bkc h ASP 121 Ca -0.01 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.21 2bkc h ASP 121 Cb 1.08 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 2bkc h ASP 121 CO 0.08 0.37 0.64 0.11 -2.88 0.00 0.00 179.24 177.56 2bkc h LYS 122 N -0.08 1.21 -0.00 0.28 1.79 -1.26 -2.61 116.57 115.89 2bkc h LYS 122 Ca 0.03 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2bkc h LYS 122 Cb 0.29 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2bkc h LYS 122 CO 0.00 0.80 -0.07 0.39 -1.08 0.00 0.00 179.45 179.49 2bkc n GLU 123 N -4.45 0.46 -1.06 3.15 1.02 -0.77 -4.95 120.64 114.04 2bkc n GLU 123 Ca 0.13 -0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.15 2bkc n GLU 123 Cb 0.08 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.32 0.55 3.42 0.62 0.00 -0.98 -4.98 105.19 105.13 2bkc n GLY 124 Ca 0.13 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.63 6.76 0.24 1.61 3.68 -0.91 -4.88 116.67 120.55 2bkc s ASP 125 Ca 0.00 -2.39 0.02 0.00 2.13 0.00 0.00 52.55 52.31 2bkc s ASP 125 Cb 0.00 -2.35 0.28 0.00 -1.45 0.00 0.00 42.92 39.40 2bkc s ASP 125 CO 0.00 -0.88 1.60 0.44 0.13 0.00 0.00 175.17 176.46 2bkc h ASP 126 N 8.26 0.40 0.13 -0.34 3.32 -1.94 -1.86 116.42 124.40 2bkc h ASP 126 Ca 0.17 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2bkc h ASP 126 Cb 1.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2bkc h ASP 126 CO 1.06 0.82 -0.06 0.58 -1.72 0.00 0.00 179.24 179.91 2bkc h VAL 127 N 0.30 1.00 -0.55 -1.35 2.07 -1.97 -1.96 116.25 113.78 2bkc h VAL 127 Ca 0.02 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2bkc h VAL 127 Cb 0.96 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2bkc h VAL 127 CO 0.08 0.13 0.29 0.74 0.02 0.00 0.00 177.57 178.83 2bkc h THR 128 N -0.44 1.17 -0.38 2.57 2.02 -1.96 -0.94 112.91 114.95 2bkc h THR 128 Ca -0.02 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2bkc h THR 128 Cb 0.36 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2bkc h THR 128 CO 0.03 0.19 0.15 -1.13 0.37 0.00 0.00 175.52 175.13 2bkc h ASN 129 N 0.76 0.52 -0.35 4.18 -0.73 -1.33 -1.60 115.58 117.02 2bkc h ASN 129 Ca 0.19 -0.16 -0.13 0.00 1.87 0.00 0.00 56.30 58.07 2bkc h ASN 129 Cb 0.04 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2bkc h ASN 129 CO -0.03 0.54 -0.24 -0.78 -0.37 0.00 0.00 177.43 176.55 2bkc h ASP 130 N 0.46 0.88 -0.64 1.15 3.58 -0.77 -2.63 116.42 118.45 2bkc h ASP 130 Ca 0.13 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 2bkc h ASP 130 Cb 0.18 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2bkc h ASP 130 CO -0.01 1.08 0.35 -0.03 -2.88 0.00 0.00 179.24 177.74 2bkc h MET 131 N 0.74 0.89 -0.26 0.28 4.05 -0.98 -2.11 114.93 117.54 2bkc h MET 131 Ca 0.10 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 2bkc h MET 131 Cb 0.78 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2bkc h MET 131 CO 0.06 0.68 -0.28 -0.07 0.23 0.00 0.00 176.91 177.53 2bkc h LEU 132 N 0.87 0.53 -0.35 3.39 4.07 -1.24 -2.58 115.31 120.00 2bkc h LEU 132 Ca 0.23 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 2bkc h LEU 132 Cb 0.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2bkc h LEU 132 CO -0.04 0.79 -0.07 0.40 -1.08 0.00 0.00 178.44 178.45 2bkc h ILE 133 N 0.45 1.27 -0.64 1.22 2.04 -1.17 -1.58 117.51 119.11 2bkc h ILE 133 Ca 0.06 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.81 2bkc h ILE 133 Cb 0.72 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2bkc h ILE 133 CO 0.06 0.37 0.42 0.00 0.00 0.00 0.00 178.15 178.99 2bkc h ALA 134 N 0.83 0.81 -0.77 1.87 0.00 -1.25 -1.93 119.26 118.81 2bkc h ALA 134 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2bkc h ALA 134 Cb 0.56 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2bkc h ALA 134 CO 0.03 0.25 0.33 0.74 0.00 0.00 0.00 179.25 180.60 2bkc h PHE 135 N 0.87 1.15 -0.12 0.00 0.05 -1.36 -2.74 116.94 114.79 2bkc h PHE 135 Ca 0.23 -0.07 -0.06 0.00 3.82 0.00 0.00 57.97 61.89 2bkc h PHE 135 Cb -0.09 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.50 2bkc h PHE 135 CO -0.03 0.86 -0.21 -0.22 -0.18 0.00 0.00 178.31 178.53 2bkc h LYS 136 N 1.12 0.20 -0.50 1.51 3.64 -1.02 -0.97 116.57 120.55 2bkc h LYS 136 Ca 0.26 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2bkc h LYS 136 Cb 0.18 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2bkc h LYS 136 CO -0.03 0.41 0.28 0.00 -2.27 0.00 0.00 179.45 177.84 2bkc h ALA 137 N 1.61 0.63 -0.26 5.00 0.00 -1.05 0.24 119.26 125.43 2bkc h ALA 137 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2bkc h ALA 137 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bkc h ALA 137 CO 0.03 -0.04 -0.39 1.03 0.00 0.00 0.00 179.25 179.88 2bkc h SER 138 N 0.55 0.78 -0.46 0.00 0.87 -1.37 -2.25 113.55 111.67 2bkc h SER 138 Ca 0.21 -0.51 0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2bkc h SER 138 Cb 0.06 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2bkc h SER 138 CO -0.12 1.15 0.29 0.40 -0.53 0.00 0.00 176.83 178.02 2bkc h ILE 139 N 0.44 1.09 -0.68 2.23 2.04 -1.05 -0.39 117.51 121.19 2bkc h ILE 139 Ca 0.02 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2bkc h ILE 139 Cb 0.98 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2bkc h ILE 139 CO 0.09 0.11 0.40 0.44 0.00 0.00 0.00 178.15 179.19 2bkc h ASP 140 N 0.59 0.63 -0.65 1.72 3.32 -0.50 -0.73 116.42 120.79 2bkc h ASP 140 Ca 0.18 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2bkc h ASP 140 Cb -0.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2bkc h ASP 140 CO -0.06 0.42 0.17 0.50 -1.72 0.00 0.00 179.24 178.55 2bkc h LYS 141 N 0.76 1.06 -0.26 3.56 3.64 -1.15 -2.19 116.57 121.98 2bkc h LYS 141 Ca 0.29 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2bkc h LYS 141 Cb 0.12 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2bkc h LYS 141 CO -0.15 0.93 -0.37 0.45 -2.27 0.00 0.00 179.45 178.03 2bkc h HIS 142 N 1.01 0.70 -0.78 1.91 3.86 -0.62 -2.22 115.15 119.01 2bkc h HIS 142 Ca 0.21 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2bkc h HIS 142 Cb 0.34 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 2bkc h HIS 142 CO 0.02 0.89 0.43 0.82 0.86 0.00 0.00 177.93 180.95 2bkc h ILE 143 N 0.50 1.23 -0.31 2.45 2.04 -0.97 -1.50 117.51 120.94 2bkc h ILE 143 Ca 0.05 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2bkc h ILE 143 Cb 0.87 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2bkc h ILE 143 CO 0.08 0.26 0.12 -0.25 0.00 0.00 0.00 178.15 178.35 2bkc h TRP 144 N 1.07 0.48 -0.15 1.37 7.01 -1.06 -1.86 115.95 122.82 2bkc h TRP 144 Ca 0.27 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.14 2bkc h TRP 144 Cb 0.03 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2bkc h TRP 144 CO 0.00 0.47 -0.28 0.52 -2.79 0.00 0.00 178.44 176.36 2bkc h MET 145 N 0.35 0.45 -0.01 2.65 0.00 -1.21 -1.98 114.93 115.18 2bkc h MET 145 Ca 0.10 -0.28 -0.15 0.00 0.00 0.00 0.00 59.70 59.37 2bkc h MET 145 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 31.60 31.81 2bkc h MET 145 CO -0.01 0.89 -0.70 0.74 0.00 0.00 0.00 176.91 177.83 2bkc h PHE 146 N 0.06 0.10 -0.85 -0.22 -1.00 -1.28 -0.87 116.94 112.88 2bkc h PHE 146 Ca 0.01 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 2bkc h PHE 146 Cb 0.87 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.37 2bkc h PHE 146 CO 0.10 0.75 0.42 0.87 -1.61 0.00 0.00 178.31 178.84 2bkc h LYS 147 N 0.05 1.22 -0.13 1.51 1.79 -1.36 -2.49 116.57 117.17 2bkc h LYS 147 Ca -0.01 -0.17 -0.17 0.00 -2.18 0.00 0.00 60.65 58.12 2bkc h LYS 147 Cb 1.24 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 2bkc h LYS 147 CO 0.10 0.93 -0.63 0.00 -1.08 0.00 0.00 179.45 178.76 2bkc h ALA 148 N 1.25 0.67 0.00 3.86 0.00 -0.97 0.28 119.26 124.35 2bkc h ALA 148 Ca 0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2bkc h ALA 148 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bkc h ALA 148 CO -0.04 0.72 -0.00 0.35 0.00 0.00 0.00 179.25 180.28 2bkc h PHE 149 N 0.34 0.00 -0.02 0.00 3.57 -0.99 -2.37 116.94 117.47 2bkc h PHE 149 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2bkc h PHE 149 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2bkc h PHE 149 CO 0.04 0.00 -0.01 1.28 -2.23 0.00 0.00 178.31 177.40 2bkc n LEU 150 N -4.01 1.92 0.00 0.59 4.77 -0.68 -4.92 117.00 114.67 2bkc n LEU 150 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2bkc n LEU 150 Cb 0.09 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2bkc n LEU 150 CO 0.29 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2bkc n GLY 151 N 1.23 0.58 3.30 -0.72 0.00 -0.89 -5.06 105.19 103.63 2bkc n GLY 151 Ca 0.17 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.84 1.18 0.71 1.61 1.02 0.00 -5.00 119.74 117.42 2bkc s LYS 152 Ca 0.00 -1.30 -0.12 0.00 0.02 0.00 0.00 55.97 54.57 2bkc s LYS 152 Cb 0.00 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 2bkc s LYS 152 CO 0.00 0.27 1.08 0.00 -0.92 0.00 0.00 175.35 175.78 2bkc s ALA 153 N -1.80 2.49 0.18 5.17 0.00 -1.26 -3.43 121.76 123.11 2bkc s ALA 153 Ca 0.12 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2bkc s ALA 153 Cb -0.07 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2bkc s ALA 153 CO 0.05 -1.40 1.71 -1.35 0.00 0.00 0.00 175.76 174.78 2bkc h PRO 154 N -0.64 0.96 -0.01 0.00 0.11 -1.89 -3.19 132.00 127.35 2bkc h PRO 154 Ca -0.44 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2bkc h PRO 154 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2bkc h PRO 154 CO 0.54 0.84 -0.77 1.28 -0.21 0.00 0.00 178.00 179.68 2bkc n LEU 155 N -4.39 1.34 0.00 2.35 4.77 -1.26 -4.88 117.00 114.93 2bkc n LEU 155 Ca 0.04 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2bkc n LEU 155 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2bkc n LEU 155 CO 0.40 0.29 0.00 -0.62 -1.33 0.00 0.00 177.39 176.13