#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 0.78 0.14 4.52 1.47 -1.26 -5.08 116.67 117.25 2bkc s ASP 8 Ca 0.00 -1.46 -0.14 0.00 1.18 0.00 0.00 52.55 52.12 2bkc s ASP 8 Cb 0.00 0.54 0.02 0.00 -0.34 0.00 0.00 42.92 43.14 2bkc s ASP 8 CO 0.00 -1.08 1.66 0.74 0.68 0.00 0.00 175.17 177.17 2bkc h THR 9 N 2.28 1.23 -0.75 2.11 2.02 -1.99 -2.09 112.91 115.73 2bkc h THR 9 Ca -0.29 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2bkc h THR 9 Cb 1.24 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2bkc h THR 9 CO 0.42 0.27 0.38 0.11 0.37 0.00 0.00 175.52 177.07 2bkc h LYS 10 N 0.61 1.06 -0.31 6.66 1.57 -1.98 -1.17 116.57 123.02 2bkc h LYS 10 Ca 0.15 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2bkc h LYS 10 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2bkc h LYS 10 CO -0.00 0.81 -0.00 0.93 -0.57 0.00 0.00 179.45 180.62 2bkc h GLU 11 N 1.04 0.55 -0.83 3.15 5.08 -1.96 -1.64 114.58 119.98 2bkc h GLU 11 Ca 0.26 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2bkc h GLU 11 Cb 0.08 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2bkc h GLU 11 CO -0.04 0.69 0.54 0.35 -1.00 0.00 0.00 179.01 179.56 2bkc h PHE 12 N 0.35 0.96 -0.14 4.33 3.57 -0.92 0.05 116.94 125.14 2bkc h PHE 12 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2bkc h PHE 12 Cb 0.44 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2bkc h PHE 12 CO 0.04 0.54 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.38 2bkc h LEU 13 N 0.98 0.42 -0.67 0.59 4.07 -0.92 -2.63 115.31 117.15 2bkc h LEU 13 Ca 0.34 -0.52 0.03 0.00 0.08 0.00 0.00 57.88 57.81 2bkc h LEU 13 Cb 0.10 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 2bkc h LEU 13 CO -0.11 0.86 0.42 -1.13 -1.08 0.00 0.00 178.44 177.40 2bkc h ASN 14 N -0.01 0.68 -0.87 -0.43 -0.73 -1.21 0.15 115.58 113.17 2bkc h ASN 14 Ca 0.01 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.24 2bkc h ASN 14 Cb 0.77 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 39.16 2bkc h ASN 14 CO 0.05 0.47 0.57 -0.74 -0.37 0.00 0.00 177.43 177.41 2bkc h HIS 15 N 0.82 1.00 0.00 0.67 2.76 -0.80 -0.40 115.15 119.20 2bkc h HIS 15 Ca 0.27 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.32 2bkc h HIS 15 Cb 0.02 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 2bkc h HIS 15 CO -0.05 0.54 -0.67 1.96 -1.30 0.00 0.00 177.93 178.41 2bkc h GLN 16 N 1.00 0.00 -0.54 5.26 1.08 -0.95 -2.25 115.11 118.71 2bkc h GLN 16 Ca 0.37 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.65 2bkc h GLN 16 Cb 0.18 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.54 2bkc h GLN 16 CO -0.13 0.67 0.18 0.28 -0.95 0.00 0.00 178.83 178.88 2bkc h VAL 17 N 0.00 0.78 -0.31 -0.54 2.07 0.97 -1.56 116.25 117.66 2bkc h VAL 17 Ca -0.01 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2bkc h VAL 17 Cb 1.36 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2bkc h VAL 17 CO 0.09 0.06 0.04 0.00 0.02 0.00 0.00 177.57 177.78 2bkc h ALA 18 N 1.38 0.41 -0.34 1.67 0.00 -1.32 -2.91 119.26 118.16 2bkc h ALA 18 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2bkc h ALA 18 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2bkc h ALA 18 CO -0.29 0.11 0.13 -0.91 0.00 0.00 0.00 179.25 178.29 2bkc h ASN 19 N 0.33 0.16 -0.59 0.00 2.35 -1.22 -2.84 115.58 113.77 2bkc h ASN 19 Ca 0.09 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2bkc h ASN 19 Cb 0.36 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2bkc h ASN 19 CO 0.01 0.13 0.05 -0.07 -1.65 0.00 0.00 177.43 175.90 2bkc h LEU 20 N 0.28 1.00 -1.10 1.61 -0.00 -1.31 0.08 115.31 115.88 2bkc h LEU 20 Ca 0.15 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 2bkc h LEU 20 Cb 0.11 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 40.46 2bkc h LEU 20 CO -0.14 1.02 0.61 0.78 -0.00 0.00 0.00 178.44 180.71 2bkc h ASN 21 N 0.96 1.04 -0.24 -0.43 2.35 -1.47 -0.86 115.58 116.93 2bkc h ASN 21 Ca 0.18 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2bkc h ASN 21 Cb 0.48 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2bkc h ASN 21 CO 0.02 0.75 -0.25 0.58 -1.65 0.00 0.00 177.43 176.88 2bkc h VAL 22 N 1.23 1.32 -0.79 2.81 2.07 -1.22 -2.96 116.25 118.71 2bkc h VAL 22 Ca 0.34 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.49 2bkc h VAL 22 Cb -0.12 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2bkc h VAL 22 CO -0.08 0.44 0.49 0.15 0.02 0.00 0.00 177.57 178.59 2bkc h PHE 23 N 0.30 0.91 -0.26 1.57 3.57 -0.77 -0.61 116.94 121.64 2bkc h PHE 23 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2bkc h PHE 23 Cb 0.81 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2bkc h PHE 23 CO 0.08 0.48 -0.06 1.15 -2.23 0.00 0.00 178.31 177.73 2bkc h THR 24 N 0.92 1.28 -0.37 4.41 2.02 -1.21 0.20 112.91 120.17 2bkc h THR 24 Ca 0.33 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2bkc h THR 24 Cb 0.11 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2bkc h THR 24 CO -0.15 0.34 0.17 0.58 0.37 0.00 0.00 175.52 176.82 2bkc h VAL 25 N 0.26 1.14 -0.13 3.16 2.07 -1.33 -2.17 116.25 119.25 2bkc h VAL 25 Ca 0.07 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 2bkc h VAL 25 Cb 0.53 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2bkc h VAL 25 CO 0.03 0.16 -0.51 0.50 0.02 0.00 0.00 177.57 177.77 2bkc h LYS 26 N 0.52 0.35 0.04 1.57 3.64 0.03 -1.42 116.57 121.30 2bkc h LYS 26 Ca 0.13 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2bkc h LYS 26 Cb 0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2bkc h LYS 26 CO -0.02 0.77 -0.02 0.82 -2.27 0.00 0.00 179.45 178.74 2bkc h ILE 27 N 0.27 1.04 -0.85 2.00 2.04 -0.04 -1.07 117.51 120.91 2bkc h ILE 27 Ca 0.01 -0.28 0.15 0.00 1.00 0.00 0.00 64.86 65.74 2bkc h ILE 27 Cb 0.99 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 2bkc h ILE 27 CO 0.08 0.07 0.43 0.45 0.00 0.00 0.00 178.15 179.19 2bkc h HIS 28 N -0.18 0.76 0.05 1.37 3.86 -1.38 -1.69 115.15 117.93 2bkc h HIS 28 Ca -0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2bkc h HIS 28 Cb 0.16 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2bkc h HIS 28 CO -0.03 0.18 -0.10 0.37 0.86 0.00 0.00 177.93 179.20 2bkc h GLN 29 N 0.62 -0.19 -0.91 2.45 4.15 -0.56 -0.78 115.11 119.89 2bkc h GLN 29 Ca 0.46 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.91 2bkc h GLN 29 Cb 0.65 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 2bkc h GLN 29 CO -0.36 -0.13 0.60 0.82 -1.93 0.00 0.00 178.83 177.83 2bkc h ILE 30 N -0.20 1.22 0.46 2.39 2.04 -0.62 -2.43 117.51 120.37 2bkc h ILE 30 Ca 0.02 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2bkc h ILE 30 Cb 0.22 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2bkc h ILE 30 CO -0.07 0.22 -0.22 -0.74 0.00 0.00 0.00 178.15 177.34 2bkc h HIS 31 N 1.22 -0.58 0.00 1.37 2.76 -1.02 -1.81 115.15 117.10 2bkc h HIS 31 Ca 0.34 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2bkc h HIS 31 Cb -0.12 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2bkc h HIS 31 CO -0.00 -0.32 -0.11 -1.49 -1.30 0.00 0.00 177.93 174.71 2bkc h TRP 32 N -0.70 0.00 0.00 5.26 6.55 -0.78 -3.17 115.95 123.11 2bkc h TRP 32 Ca -0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.78 2bkc h TRP 32 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.82 2bkc h TRP 32 CO -0.03 0.11 -0.68 0.66 -1.05 0.00 0.00 178.44 177.46 2bkc n TYR 33 N -4.38 0.00 -1.90 0.49 4.02 -0.95 -5.01 117.16 109.43 2bkc n TYR 33 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 2bkc n TYR 33 Cb 0.18 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.22 2.98 0.03 -0.72 0.23 -0.68 -4.98 119.30 113.93 2bkc s MET 34 Ca 0.04 1.99 -0.06 0.00 -1.03 0.00 0.00 55.69 56.63 2bkc s MET 34 Cb 0.09 -2.04 -0.01 0.00 -1.53 0.00 0.00 34.83 31.35 2bkc s MET 34 CO 0.50 -1.25 0.11 1.03 -2.03 0.00 0.00 175.02 173.38 2bkc s ARG 35 N -3.17 0.58 0.00 3.16 0.52 -1.26 -5.01 118.95 113.77 2bkc s ARG 35 Ca 0.76 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2bkc s ARG 35 Cb -0.35 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.35 2bkc s ARG 35 CO 0.39 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2bkc n GLY 36 N 0.88 2.20 0.43 -3.53 0.00 -1.26 -4.41 105.19 99.51 2bkc n GLY 36 Ca -0.20 -2.18 0.21 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.52 1.61 3.86 -2.07 -0.23 115.15 117.80 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 -3.38 4.76 -0.29 2.45 4.13 -1.26 -4.59 115.26 117.08 2bkc n ASN 38 Ca 0.11 -2.64 -0.01 0.00 1.68 0.00 0.00 54.58 53.72 2bkc n ASN 38 Cb 0.93 -0.62 0.12 0.00 -1.54 0.00 0.00 39.78 38.67 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 3.50 0.94 0.00 3.10 3.57 -1.35 -1.87 116.94 124.82 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 1.60 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2bkc h PHE 39 CO 0.84 0.49 -0.00 0.74 -2.23 0.00 0.00 178.31 178.16 2bkc h PHE 40 N 0.94 -0.00 -0.35 0.41 -1.00 -1.85 -2.48 116.94 112.62 2bkc h PHE 40 Ca 0.35 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.04 2bkc h PHE 40 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 2bkc h PHE 40 CO -0.04 0.81 -0.12 0.00 -1.61 0.00 0.00 178.31 177.35 2bkc h THR 41 N -0.82 1.28 -0.24 -1.55 1.03 -1.89 -2.11 112.91 108.62 2bkc h THR 41 Ca -0.00 -1.21 -0.11 0.00 -0.01 0.00 0.00 66.41 65.08 2bkc h THR 41 Cb 0.81 1.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2bkc h THR 41 CO 0.00 0.40 -0.31 -0.07 -0.01 0.00 0.00 175.52 175.53 2bkc h LEU 42 N 0.48 0.49 -0.63 0.00 4.07 -1.47 -1.29 115.31 116.97 2bkc h LEU 42 Ca 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 2bkc h LEU 42 Cb 0.64 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 2bkc h LEU 42 CO 0.04 0.78 0.30 1.23 -1.08 0.00 0.00 178.44 179.72 2bkc h GLY 43 N 1.05 0.97 0.58 0.83 0.00 -1.38 0.67 103.07 105.80 2bkc h GLY 43 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 47.33 46.96 2bkc h GLY 43 CO 0.06 0.46 0.24 0.83 0.00 0.00 0.00 176.54 178.13 2bkc h GLU 44 N 0.87 0.44 -0.19 4.80 3.07 -0.88 -1.60 114.58 121.09 2bkc h GLU 44 Ca 0.22 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 2bkc h GLU 44 Cb 0.12 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2bkc h GLU 44 CO -0.03 0.29 -0.37 0.87 -1.40 0.00 0.00 179.01 178.38 2bkc h LYS 45 N 0.46 0.41 -0.35 2.33 1.79 -0.67 -2.51 116.57 118.03 2bkc h LYS 45 Ca 0.26 -0.19 -0.11 0.00 -2.18 0.00 0.00 60.65 58.43 2bkc h LYS 45 Cb 0.24 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2bkc h LYS 45 CO -0.22 0.72 -0.23 0.52 -1.08 0.00 0.00 179.45 179.16 2bkc h MET 46 N 0.35 0.68 -0.38 3.15 2.86 -0.47 -1.12 114.93 119.99 2bkc h MET 46 Ca 0.04 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2bkc h MET 46 Cb 0.81 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 2bkc h MET 46 CO 0.07 0.85 0.19 -0.44 1.06 0.00 0.00 176.91 178.64 2bkc h ASP 47 N 0.60 0.28 -0.57 1.22 3.32 -0.92 0.21 116.42 120.57 2bkc h ASP 47 Ca 0.09 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2bkc h ASP 47 Cb 0.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2bkc h ASP 47 CO 0.05 0.21 0.35 0.44 -1.72 0.00 0.00 179.24 178.57 2bkc h ASP 48 N 0.39 0.67 -0.49 6.45 3.32 -1.22 -2.46 116.42 123.08 2bkc h ASP 48 Ca 0.16 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 2bkc h ASP 48 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2bkc h ASP 48 CO -0.11 0.52 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.80 2bkc h LEU 49 N 0.77 0.94 0.28 1.55 4.07 -1.01 -0.54 115.31 121.38 2bkc h LEU 49 Ca 0.20 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2bkc h LEU 49 Cb -0.04 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.45 2bkc h LEU 49 CO -0.04 1.04 -0.17 0.22 -1.08 0.00 0.00 178.44 178.41 2bkc h TYR 50 N 0.86 -0.43 -0.28 1.13 5.03 -0.39 0.18 116.97 123.07 2bkc h TYR 50 Ca 0.15 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.49 2bkc h TYR 50 Cb 0.60 0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 2bkc h TYR 50 CO 0.04 -0.26 0.04 0.77 -1.32 0.00 0.00 178.16 177.42 2bkc h SER 51 N -0.43 -0.03 -0.87 -2.11 0.02 -1.41 -1.89 113.55 106.83 2bkc h SER 51 Ca -0.03 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2bkc h SER 51 Cb 0.35 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2bkc h SER 51 CO 0.04 0.02 0.43 -0.08 -1.14 0.00 0.00 176.83 176.09 2bkc h GLU 52 N 0.13 1.24 0.00 3.45 4.81 -0.81 -2.04 114.58 121.37 2bkc h GLU 52 Ca 0.13 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 2bkc h GLU 52 Cb 0.15 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2bkc h GLU 52 CO -0.19 0.94 -1.05 0.74 -0.73 0.00 0.00 179.01 178.72 2bkc h PHE 53 N 1.23 0.01 -0.62 0.92 -1.00 -0.92 -1.87 116.94 114.69 2bkc h PHE 53 Ca 0.30 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.03 2bkc h PHE 53 Cb 0.10 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 2bkc h PHE 53 CO 0.01 1.01 0.22 0.78 -1.61 0.00 0.00 178.31 178.72 2bkc h GLY 54 N 2.99 1.00 1.53 -1.45 0.00 -1.19 -1.66 103.07 104.29 2bkc h GLY 54 Ca -0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 2bkc h GLY 54 CO 0.13 0.51 -0.48 0.83 0.00 0.00 0.00 176.54 177.53 2bkc h GLU 55 N 0.91 0.51 -0.94 4.80 4.39 -1.32 -2.06 114.58 120.86 2bkc h GLU 55 Ca 0.21 -0.29 0.09 0.00 0.34 0.00 0.00 59.36 59.71 2bkc h GLU 55 Cb 0.22 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 2bkc h GLU 55 CO -0.01 0.88 0.59 0.37 -1.16 0.00 0.00 179.01 179.67 2bkc h GLN 56 N 0.40 0.98 -0.21 2.33 4.15 -0.88 -2.30 115.11 119.58 2bkc h GLN 56 Ca 0.02 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 2bkc h GLN 56 Cb 0.99 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2bkc h GLN 56 CO 0.09 0.65 -0.09 1.98 -1.93 0.00 0.00 178.83 179.52 2bkc h MET 57 N 1.01 0.43 -0.98 1.69 4.05 -1.11 -0.95 114.93 119.06 2bkc h MET 57 Ca 0.43 -0.18 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 2bkc h MET 57 Cb 0.31 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.02 2bkc h MET 57 CO -0.22 0.71 0.63 0.22 0.23 0.00 0.00 176.91 178.48 2bkc h ASP 58 N 0.13 1.00 0.11 1.39 1.82 -1.21 -0.61 116.42 119.06 2bkc h ASP 58 Ca 0.05 0.02 -0.23 0.00 -0.39 0.00 0.00 57.03 56.48 2bkc h ASP 58 Cb 0.57 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.40 2bkc h ASP 58 CO 0.03 0.62 -0.88 -0.08 -1.61 0.00 0.00 179.24 177.32 2bkc h GLU 59 N 1.13 0.58 -0.26 0.28 4.81 -1.24 0.57 114.58 120.44 2bkc h GLU 59 Ca 0.43 -0.55 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2bkc h GLU 59 Cb 0.20 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2bkc h GLU 59 CO -0.18 1.17 0.13 0.28 -0.73 0.00 0.00 179.01 179.68 2bkc h VAL 60 N 0.36 1.00 -0.34 0.32 2.07 -0.88 -1.11 116.25 117.66 2bkc h VAL 60 Ca -0.07 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2bkc h VAL 60 Cb 1.51 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2bkc h VAL 60 CO 0.16 0.05 -0.00 0.00 0.02 0.00 0.00 177.57 177.80 2bkc h ALA 61 N 1.13 0.46 -0.62 1.67 0.00 -0.89 -1.49 119.26 119.52 2bkc h ALA 61 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2bkc h ALA 61 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2bkc h ALA 61 CO -0.07 0.23 0.20 0.93 0.00 0.00 0.00 179.25 180.53 2bkc h GLU 62 N 0.41 0.94 -0.23 0.00 5.08 -0.91 -0.46 114.58 119.41 2bkc h GLU 62 Ca 0.10 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2bkc h GLU 62 Cb 0.46 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2bkc h GLU 62 CO 0.02 0.80 0.05 -0.09 -1.00 0.00 0.00 179.01 178.79 2bkc h ARG 63 N 0.91 0.38 -0.62 2.33 9.65 -1.07 0.06 114.38 126.02 2bkc h ARG 63 Ca 0.20 -0.10 0.09 0.00 -1.10 0.00 0.00 59.98 59.08 2bkc h ARG 63 Cb 0.26 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.72 2bkc h ARG 63 CO -0.01 0.50 0.24 1.25 2.80 0.00 0.00 179.97 184.76 2bkc h LEU 64 N 0.20 0.26 -0.61 3.80 5.85 -1.02 -0.48 115.31 123.31 2bkc h LEU 64 Ca 0.07 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2bkc h LEU 64 Cb 0.30 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2bkc h LEU 64 CO 0.00 0.15 0.39 -0.07 -0.34 0.00 0.00 178.44 178.57 2bkc h LEU 65 N 0.44 0.65 -2.26 2.25 -0.00 -0.82 -0.99 115.31 114.57 2bkc h LEU 65 Ca 0.31 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.17 2bkc h LEU 65 Cb 0.37 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2bkc h LEU 65 CO -0.30 0.46 -0.05 0.00 -0.00 0.00 0.00 178.44 178.55 2bkc h ALA 66 N 1.25 1.40 -0.51 1.53 0.00 0.68 -1.73 119.26 121.88 2bkc h ALA 66 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 66 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bkc h ALA 66 CO -0.08 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.67 2bkc n ILE 67 N -3.72 2.04 -0.37 0.00 -5.35 -0.94 -4.94 119.36 106.08 2bkc n ILE 67 Ca -0.02 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 2bkc n ILE 67 Cb 0.15 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 2bkc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkc n GLY 68 N 0.57 0.79 3.98 3.28 0.00 -0.65 -5.07 105.19 108.09 2bkc n GLY 68 Ca 0.24 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.21 1.79 -0.33 -0.02 0.00 -0.42 -5.01 107.32 101.12 2bkc s GLY 69 Ca 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.20 2bkc s GLY 69 CO 0.00 -1.10 0.10 -0.56 0.00 0.00 0.00 173.10 171.54 2bkc s SER 70 N -4.59 4.23 0.33 1.64 0.01 -1.26 -4.41 113.70 109.65 2bkc s SER 70 Ca 0.62 -1.87 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 2bkc s SER 70 Cb -0.08 -1.11 -0.11 0.00 0.21 0.00 0.00 66.02 64.93 2bkc s SER 70 CO 0.41 -0.39 1.55 -2.84 0.41 0.00 0.00 173.24 172.39 2bkc s PRO 71 N 1.30 4.11 0.18 12.44 0.02 -1.26 -4.95 135.00 146.84 2bkc s PRO 71 Ca 0.11 2.59 -0.33 0.00 0.02 0.00 0.00 61.00 63.39 2bkc s PRO 71 Cb -0.18 -3.00 -0.15 0.00 0.02 0.00 0.00 34.50 31.19 2bkc s PRO 71 CO -0.18 -0.60 1.25 1.19 -0.33 0.00 0.00 177.00 178.32 2bkc n PHE 72 N 1.42 1.54 -2.54 6.54 0.99 -1.26 -4.92 117.46 119.23 2bkc n PHE 72 Ca 0.05 0.61 0.01 0.00 -0.00 0.00 0.00 57.45 58.12 2bkc n PHE 72 Cb 0.38 -2.33 0.02 0.00 -1.00 0.00 0.00 39.48 36.55 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 2.13 0.78 -3.97 4.37 3.41 -1.26 -4.94 113.62 114.13 2bkc n SER 73 Ca 0.14 -2.02 -0.09 0.00 -0.26 0.00 0.00 58.87 56.65 2bkc n SER 73 Cb 0.26 -0.22 -0.10 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 -1.02 0.14 0.21 6.66 -4.23 -1.26 -5.05 115.64 111.09 2bkc s THR 74 Ca 0.27 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.49 2bkc s THR 74 Cb 0.33 -0.86 0.16 0.00 1.34 0.00 0.00 72.50 73.47 2bkc s THR 74 CO -0.11 -0.65 1.88 -0.07 -0.54 0.00 0.00 174.62 175.13 2bkc h LEU 75 N 3.81 0.88 -0.20 4.79 4.07 -1.99 -1.53 115.31 125.13 2bkc h LEU 75 Ca -0.33 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 57.66 2bkc h LEU 75 Cb 1.18 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 42.65 2bkc h LEU 75 CO 0.51 0.64 -0.13 0.50 -1.08 0.00 0.00 178.44 178.88 2bkc h LYS 76 N 1.04 -0.12 -0.13 1.13 3.11 -1.99 -0.75 116.57 118.85 2bkc h LYS 76 Ca 0.28 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.06 2bkc h LYS 76 Cb -0.12 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2bkc h LYS 76 CO -0.06 -0.08 -0.24 0.93 -2.81 0.00 0.00 179.45 177.19 2bkc h GLU 77 N -0.12 0.23 -0.27 1.90 5.08 -1.92 -1.64 114.58 117.84 2bkc h GLU 77 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 77 Cb 0.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bkc h GLU 77 CO -0.28 0.47 -0.07 0.74 -1.00 0.00 0.00 179.01 178.87 2bkc h PHE 78 N 0.21 0.60 -0.58 4.33 0.05 -0.82 -2.82 116.94 117.90 2bkc h PHE 78 Ca 0.04 -0.13 -0.07 0.00 3.82 0.00 0.00 57.97 61.62 2bkc h PHE 78 Cb 0.55 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 2bkc h PHE 78 CO 0.01 0.74 0.08 -0.07 -0.18 0.00 0.00 178.31 178.89 2bkc h LEU 79 N 0.28 0.90 -1.76 1.54 3.38 -0.92 -1.27 115.31 117.46 2bkc h LEU 79 Ca 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2bkc h LEU 79 Cb 0.55 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2bkc h LEU 79 CO 0.03 0.92 -0.16 -0.33 0.09 0.00 0.00 178.44 178.98 2bkc h GLU 80 N 0.89 0.00 0.00 1.13 5.08 -1.26 -3.32 114.58 117.11 2bkc h GLU 80 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2bkc h GLU 80 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2bkc h GLU 80 CO 0.01 0.16 -0.56 0.09 -1.00 0.00 0.00 179.01 177.71 2bkc n ASN 81 N -3.94 1.19 -4.74 1.42 4.13 -1.05 -5.02 115.26 107.24 2bkc n ASN 81 Ca -0.02 -0.47 -0.41 0.00 1.68 0.00 0.00 54.58 55.37 2bkc n ASN 81 Cb 0.25 1.08 -0.04 0.00 -1.54 0.00 0.00 39.78 39.53 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 -1.81 3.34 -1.49 5.41 0.00 -0.51 -4.84 121.76 121.87 2bkc s ALA 82 Ca 0.01 0.74 0.25 0.00 0.00 0.00 0.00 51.96 52.96 2bkc s ALA 82 Cb 0.04 -3.31 0.40 0.00 0.00 0.00 0.00 23.12 20.25 2bkc s ALA 82 CO 0.25 -0.10 1.34 -1.13 0.00 0.00 0.00 175.76 176.12 2bkc n SER 83 N 2.19 1.06 -4.72 0.00 3.41 -1.26 -4.89 113.62 109.41 2bkc n SER 83 Ca 0.01 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 2bkc n SER 83 Cb 0.47 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 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 -2.71 4.53 -0.12 -3.33 1.01 -1.26 -5.02 120.40 113.51 2bkc s VAL 84 Ca 0.17 1.96 -0.10 0.00 0.00 0.00 0.00 61.98 64.01 2bkc s VAL 84 Cb 0.18 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2bkc s VAL 84 CO 0.63 0.23 0.23 -1.61 0.00 0.00 0.00 175.10 174.58 2bkc s GLU 85 N 0.45 3.82 0.10 2.72 2.02 -1.26 -4.98 118.70 121.57 2bkc s GLU 85 Ca 0.50 0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.61 2bkc s GLU 85 Cb -0.24 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 2bkc s GLU 85 CO 0.30 0.58 -0.26 -1.83 0.02 0.00 0.00 175.26 174.07 2bkc s GLU 86 N -0.52 1.48 0.02 1.61 -1.05 -1.26 -5.04 118.70 113.93 2bkc s GLU 86 Ca 0.16 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.77 2bkc s GLU 86 Cb -0.13 -1.83 -0.01 0.00 -0.44 0.00 0.00 34.13 31.72 2bkc s GLU 86 CO 0.05 0.45 -0.04 0.00 0.95 0.00 0.00 175.26 176.66 2bkc s ALA 87 N -0.98 0.31 0.55 -0.84 0.00 -1.26 -5.15 121.76 114.39 2bkc s ALA 87 Ca 0.12 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 2bkc s ALA 87 Cb -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2bkc s ALA 87 CO 0.04 -0.02 1.35 -1.25 0.00 0.00 0.00 175.76 175.88 2bkc s PRO 88 N -0.85 3.14 -0.24 0.00 0.04 -1.26 -4.98 135.00 130.85 2bkc s PRO 88 Ca -0.06 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 2bkc s PRO 88 Cb -0.06 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2bkc s PRO 88 CO -0.00 -1.18 0.95 -0.47 0.04 0.00 0.00 177.00 176.34 2bkc s TYR 89 N -1.32 3.32 0.00 0.56 5.04 -1.26 -4.89 117.35 118.80 2bkc s TYR 89 Ca 0.72 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 2bkc s TYR 89 Cb -0.40 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.71 2bkc s TYR 89 CO 0.47 -0.46 0.00 0.25 -1.34 0.00 0.00 175.55 174.47 2bkc n THR 90 N 5.32 0.00 -2.02 4.34 -2.24 -1.26 -5.07 114.28 113.35 2bkc n THR 90 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 2bkc n THR 90 Cb 0.47 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.43 4.28 0.44 -0.78 1.02 -1.26 -4.96 119.74 118.05 2bkc s LYS 91 Ca 0.00 2.32 -0.25 0.00 0.02 0.00 0.00 55.97 58.06 2bkc s LYS 91 Cb 0.00 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 2bkc s LYS 91 CO 0.00 -0.32 1.37 -2.30 -0.92 0.00 0.00 175.35 173.18 2bkc n PRO 92 N 1.00 2.13 -4.70 -1.68 -0.02 -1.26 -5.04 135.00 125.44 2bkc n PRO 92 Ca 0.01 0.76 -0.27 0.00 -2.02 0.00 0.00 63.50 61.98 2bkc n PRO 92 Cb 0.41 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 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 -2.36 1.50 1.11 -0.52 1.02 -1.26 -5.14 119.74 114.09 2bkc s LYS 93 Ca 0.61 -1.02 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 2bkc s LYS 93 Cb -0.47 -1.65 0.19 0.00 -0.52 0.00 0.00 37.83 35.38 2bkc s LYS 93 CO 0.58 0.42 0.62 2.41 -0.92 0.00 0.00 175.35 178.46 2bkc n THR 94 N 1.76 0.00 -0.02 2.17 -1.04 -1.26 -4.85 114.28 111.04 2bkc n THR 94 Ca -0.17 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.05 61.39 2bkc n THR 94 Cb 0.53 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 2bkc n THR 94 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bkc h MET 95 N -2.30 0.17 -0.51 -2.82 4.05 -1.99 -2.65 114.93 108.87 2bkc h MET 95 Ca -0.56 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 58.93 2bkc h MET 95 Cb 1.33 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 32.03 2bkc h MET 95 CO 0.43 0.20 0.11 -0.44 0.23 0.00 0.00 176.91 177.44 2bkc h ASP 96 N 0.09 0.01 -0.53 1.39 3.32 -1.95 0.43 116.42 119.17 2bkc h ASP 96 Ca 0.04 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2bkc h ASP 96 Cb 0.09 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2bkc h ASP 96 CO -0.01 0.03 0.18 1.56 -1.72 0.00 0.00 179.24 179.28 2bkc h GLN 97 N 0.24 0.87 -0.45 3.56 4.20 -1.91 0.99 115.11 122.60 2bkc h GLN 97 Ca 0.26 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 2bkc h GLN 97 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2bkc h GLN 97 CO -0.33 0.75 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.41 2bkc h LEU 98 N 0.84 0.87 -1.27 1.46 3.38 -0.98 -2.52 115.31 117.10 2bkc h LEU 98 Ca 0.19 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2bkc h LEU 98 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2bkc h LEU 98 CO -0.01 1.02 -0.29 0.24 0.09 0.00 0.00 178.44 179.50 2bkc h MET 99 N 0.71 0.12 -0.25 1.13 2.86 -0.44 -1.34 114.93 117.72 2bkc h MET 99 Ca 0.12 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 2bkc h MET 99 Cb 0.64 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 2bkc h MET 99 CO 0.04 0.41 -0.56 0.93 1.06 0.00 0.00 176.91 178.79 2bkc h GLU 100 N 0.11 0.78 -0.19 1.72 5.08 -0.71 0.10 114.58 121.47 2bkc h GLU 100 Ca 0.02 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2bkc h GLU 100 Cb 0.57 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2bkc h GLU 100 CO 0.04 1.13 0.10 0.22 -1.00 0.00 0.00 179.01 179.50 2bkc h ASP 101 N 0.59 0.16 -0.84 1.42 3.58 -1.18 -1.12 116.42 119.03 2bkc h ASP 101 Ca 0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2bkc h ASP 101 Cb 1.15 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 2bkc h ASP 101 CO 0.12 0.12 0.55 0.25 -2.88 0.00 0.00 179.24 177.40 2bkc h LEU 102 N 0.21 0.95 -0.36 2.28 6.46 -1.03 -0.98 115.31 122.85 2bkc h LEU 102 Ca 0.07 -0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.62 2bkc h LEU 102 Cb 0.00 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 2bkc h LEU 102 CO -0.04 0.68 -0.68 0.58 -0.62 0.00 0.00 178.44 178.36 2bkc h VAL 103 N 1.12 1.33 -0.18 1.05 2.07 -0.93 -1.68 116.25 119.03 2bkc h VAL 103 Ca 0.31 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 2bkc h VAL 103 Cb -0.11 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2bkc h VAL 103 CO -0.08 0.61 -0.32 1.23 0.02 0.00 0.00 177.57 179.04 2bkc h GLY 104 N 0.99 0.39 0.74 2.17 0.00 -0.84 -1.01 103.07 105.51 2bkc h GLY 104 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2bkc h GLY 104 CO 0.13 0.31 -0.26 -0.84 0.00 0.00 0.00 176.54 175.88 2bkc h THR 105 N 0.31 1.38 -0.41 4.70 2.02 -1.06 -2.08 112.91 117.77 2bkc h THR 105 Ca 0.04 -1.54 0.08 0.00 0.77 0.00 0.00 66.41 65.75 2bkc h THR 105 Cb 0.72 2.09 -0.07 0.00 -1.74 0.00 0.00 68.15 69.15 2bkc h THR 105 CO 0.05 0.45 -0.02 -0.07 0.37 0.00 0.00 175.52 176.30 2bkc h LEU 106 N -0.04 -0.22 -0.63 2.58 3.38 -1.25 -0.88 115.31 118.24 2bkc h LEU 106 Ca 0.00 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.20 2bkc h LEU 106 Cb 0.85 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2bkc h LEU 106 CO 0.06 -0.07 0.14 -0.33 0.09 0.00 0.00 178.44 178.32 2bkc h GLU 107 N 0.08 0.25 -0.55 1.13 5.08 -1.20 -0.85 114.58 118.52 2bkc h GLU 107 Ca 0.20 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2bkc h GLU 107 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2bkc h GLU 107 CO -0.36 0.17 0.12 1.25 -1.00 0.00 0.00 179.01 179.20 2bkc h LEU 108 N 0.26 0.84 -0.55 1.33 6.46 -0.66 -2.47 115.31 120.53 2bkc h LEU 108 Ca 0.34 -0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 2bkc h LEU 108 Cb 0.52 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2bkc h LEU 108 CO -0.43 0.86 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.18 2bkc h LEU 109 N 0.78 0.95 -0.38 2.25 3.38 -0.97 -1.94 115.31 119.38 2bkc h LEU 109 Ca 0.17 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2bkc h LEU 109 Cb 0.36 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2bkc h LEU 109 CO 0.00 1.03 -0.11 -0.09 0.09 0.00 0.00 178.44 179.36 2bkc h ARG 110 N 0.85 -0.02 -0.16 1.13 2.43 -1.07 0.01 114.38 117.55 2bkc h ARG 110 Ca 0.15 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.13 2bkc h ARG 110 Cb 0.55 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2bkc h ARG 110 CO 0.03 -0.02 -0.68 -0.44 -1.51 0.00 0.00 179.97 177.36 2bkc h ASP 111 N -0.03 0.74 0.11 -3.80 3.32 -1.34 -0.58 116.42 114.84 2bkc h ASP 111 Ca 0.19 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 2bkc h ASP 111 Cb 0.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2bkc h ASP 111 CO -0.41 1.21 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.76 2bkc h GLU 112 N 0.46 0.23 -0.42 3.56 5.08 -1.29 -2.44 114.58 119.76 2bkc h GLU 112 Ca -0.02 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2bkc h GLU 112 Cb 1.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2bkc h GLU 112 CO 0.13 0.46 -0.18 1.88 -1.00 0.00 0.00 179.01 180.30 2bkc h TYR 113 N 0.21 0.98 -0.48 4.33 -1.99 -0.29 -0.40 116.97 119.34 2bkc h TYR 113 Ca 0.03 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.52 2bkc h TYR 113 Cb 0.54 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2bkc h TYR 113 CO 0.01 1.01 0.28 -0.22 -0.00 0.00 0.00 178.16 179.23 2bkc h LYS 114 N 0.68 0.65 -0.35 4.88 1.63 -1.02 0.51 116.57 123.54 2bkc h LYS 114 Ca 0.09 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2bkc h LYS 114 Cb 0.74 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 2bkc h LYS 114 CO 0.06 0.49 -0.03 1.96 -3.45 0.00 0.00 179.45 178.47 2bkc h GLN 115 N 0.63 0.06 -0.51 1.90 4.20 -1.35 -2.15 115.11 117.88 2bkc h GLN 115 Ca 0.17 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2bkc h GLN 115 Cb 0.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2bkc h GLN 115 CO -0.03 0.04 0.18 0.78 -0.67 0.00 0.00 178.83 179.13 2bkc h GLY 116 N 0.06 0.80 0.84 3.46 0.00 0.03 -2.31 103.07 105.94 2bkc h GLY 116 Ca 0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2bkc h GLY 116 CO -0.32 0.39 0.03 -2.22 0.00 0.00 0.00 176.54 174.42 2bkc h ILE 117 N 0.73 1.23 -0.49 2.60 2.04 0.54 -2.48 117.51 121.68 2bkc h ILE 117 Ca 0.17 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2bkc h ILE 117 Cb 0.18 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2bkc h ILE 117 CO -0.01 0.24 0.24 -0.08 0.00 0.00 0.00 178.15 178.54 2bkc h GLU 118 N 0.15 0.46 -0.99 2.37 4.81 -1.29 -1.35 114.58 118.74 2bkc h GLU 118 Ca 0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2bkc h GLU 118 Cb 0.33 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2bkc h GLU 118 CO 0.01 0.31 0.65 1.25 -0.73 0.00 0.00 179.01 180.49 2bkc h LEU 119 N 0.47 1.09 0.00 1.64 5.85 -1.37 -2.19 115.31 120.81 2bkc h LEU 119 Ca 0.22 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 2bkc h LEU 119 Cb 0.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2bkc h LEU 119 CO -0.16 0.76 -1.15 0.00 -0.34 0.00 0.00 178.44 177.56 2bkc h THR 120 N 1.27 1.18 0.06 1.05 1.03 -1.24 -1.93 112.91 114.33 2bkc h THR 120 Ca 0.38 -2.84 0.02 0.00 -0.01 0.00 0.00 66.41 63.97 2bkc h THR 120 Cb -0.04 2.56 -0.04 0.00 -1.07 0.00 0.00 68.15 69.56 2bkc h THR 120 CO -0.11 0.67 -0.27 -0.78 -0.01 0.00 0.00 175.52 175.03 2bkc h ASP 121 N 0.00 -0.77 0.36 0.00 3.58 -1.17 -1.63 116.42 116.79 2bkc h ASP 121 Ca -0.10 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 2bkc h ASP 121 Cb 1.74 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 43.08 2bkc h ASP 121 CO 0.09 -0.34 -0.40 0.11 -2.88 0.00 0.00 179.24 175.82 2bkc h LYS 122 N -0.44 0.06 0.00 0.28 1.57 -1.27 -2.54 116.57 114.22 2bkc h LYS 122 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bkc h LYS 122 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2bkc h LYS 122 CO -0.19 0.45 -0.22 0.39 -0.57 0.00 0.00 179.45 179.31 2bkc n GLU 123 N -4.05 0.02 -0.99 3.15 -0.58 -0.74 -4.93 120.64 112.51 2bkc n GLU 123 Ca -0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2bkc n GLU 123 Cb 0.44 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2bkc n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bkc n GLY 124 N 1.49 0.44 3.54 0.62 0.00 -0.88 -4.99 105.19 105.41 2bkc n GLY 124 Ca 0.06 -0.58 -0.41 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 -2.53 6.43 0.05 1.61 3.68 -0.67 -4.88 116.67 120.36 2bkc s ASP 125 Ca 0.00 -1.29 -0.20 0.00 2.13 0.00 0.00 52.55 53.19 2bkc s ASP 125 Cb 0.00 -2.54 -0.13 0.00 -1.45 0.00 0.00 42.92 38.81 2bkc s ASP 125 CO 0.00 -1.52 1.42 0.44 0.13 0.00 0.00 175.17 175.64 2bkc h ASP 126 N 9.72 0.35 0.15 -0.34 3.32 -1.94 -2.57 116.42 125.09 2bkc h ASP 126 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.73 2bkc h ASP 126 Cb 1.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2bkc h ASP 126 CO 1.35 0.66 -0.24 0.58 -1.72 0.00 0.00 179.24 179.87 2bkc h VAL 127 N 0.03 0.48 -0.70 -1.35 2.07 -1.97 -1.49 116.25 113.31 2bkc h VAL 127 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2bkc h VAL 127 Cb 0.53 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2bkc h VAL 127 CO 0.02 0.00 0.41 0.74 0.02 0.00 0.00 177.57 178.76 2bkc h THR 128 N -0.45 1.20 -0.46 2.57 2.02 -1.96 0.03 112.91 115.86 2bkc h THR 128 Ca 0.02 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2bkc h THR 128 Cb 0.46 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2bkc h THR 128 CO -0.11 0.22 0.28 -1.13 0.37 0.00 0.00 175.52 175.14 2bkc h ASN 129 N 0.97 0.46 -0.32 4.18 -0.73 -1.31 -2.14 115.58 116.68 2bkc h ASN 129 Ca 0.25 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.36 2bkc h ASN 129 Cb -0.02 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 2bkc h ASN 129 CO -0.04 0.33 -0.05 -0.78 -0.37 0.00 0.00 177.43 176.52 2bkc h ASP 130 N 0.57 0.60 -0.99 1.15 3.58 -0.47 -1.93 116.42 118.92 2bkc h ASP 130 Ca 0.18 -0.34 0.12 0.00 0.42 0.00 0.00 57.03 57.41 2bkc h ASP 130 Cb -0.01 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 40.79 2bkc h ASP 130 CO -0.07 0.80 0.62 -0.03 -2.88 0.00 0.00 179.24 177.68 2bkc h MET 131 N 0.39 0.96 0.09 0.28 4.05 -0.93 -2.29 114.93 117.48 2bkc h MET 131 Ca 0.09 -0.06 -0.26 0.00 -0.28 0.00 0.00 59.70 59.19 2bkc h MET 131 Cb 0.52 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2bkc h MET 131 CO 0.03 0.63 -1.20 -0.07 0.23 0.00 0.00 176.91 176.53 2bkc h LEU 132 N 0.99 0.31 -0.82 3.39 4.07 -1.14 -2.93 115.31 119.18 2bkc h LEU 132 Ca 0.49 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2bkc h LEU 132 Cb 0.48 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 2bkc h LEU 132 CO -0.26 1.26 0.46 0.40 -1.08 0.00 0.00 178.44 179.22 2bkc h ILE 133 N 0.05 1.24 -0.54 1.22 2.04 -1.02 -2.33 117.51 118.18 2bkc h ILE 133 Ca -0.11 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 2bkc h ILE 133 Cb 1.92 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2bkc h ILE 133 CO 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 178.15 178.58 2bkc h ALA 134 N 1.24 0.73 -0.22 1.87 0.00 -1.29 -1.99 119.26 119.61 2bkc h ALA 134 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2bkc h ALA 134 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2bkc h ALA 134 CO -0.05 0.56 -0.15 0.74 0.00 0.00 0.00 179.25 180.36 2bkc h PHE 135 N 0.84 0.39 -0.13 0.00 0.05 -1.44 -2.51 116.94 114.14 2bkc h PHE 135 Ca 0.15 -0.06 -0.10 0.00 3.82 0.00 0.00 57.97 61.78 2bkc h PHE 135 Cb 0.55 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.38 2bkc h PHE 135 CO 0.04 0.51 -0.38 -0.22 -0.18 0.00 0.00 178.31 178.07 2bkc h LYS 136 N 0.34 0.27 -0.29 1.51 3.64 -1.00 0.62 116.57 121.66 2bkc h LYS 136 Ca 0.06 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2bkc h LYS 136 Cb 0.47 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2bkc h LYS 136 CO 0.03 0.62 0.07 0.00 -2.27 0.00 0.00 179.45 177.90 2bkc h ALA 137 N 1.37 0.31 -0.45 5.00 0.00 -0.95 -0.42 119.26 124.12 2bkc h ALA 137 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2bkc h ALA 137 Cb 0.78 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2bkc h ALA 137 CO 0.06 -0.34 -0.14 1.03 0.00 0.00 0.00 179.25 179.87 2bkc h SER 138 N 0.19 0.91 -0.41 0.00 0.87 -1.06 -2.16 113.55 111.88 2bkc h SER 138 Ca 0.13 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 2bkc h SER 138 Cb 0.12 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2bkc h SER 138 CO -0.16 1.07 0.14 0.40 -0.53 0.00 0.00 176.83 177.75 2bkc h ILE 139 N 0.73 1.21 -0.82 2.23 2.04 -0.74 -0.27 117.51 121.89 2bkc h ILE 139 Ca 0.11 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2bkc h ILE 139 Cb 0.69 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2bkc h ILE 139 CO 0.05 0.24 0.45 0.44 0.00 0.00 0.00 178.15 179.34 2bkc h ASP 140 N 0.52 1.01 -0.19 1.72 3.32 -1.03 -0.63 116.42 121.15 2bkc h ASP 140 Ca 0.13 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2bkc h ASP 140 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2bkc h ASP 140 CO -0.01 0.81 0.08 0.50 -1.72 0.00 0.00 179.24 178.90 2bkc h LYS 141 N 1.14 0.29 -0.12 3.56 3.64 -0.77 -2.63 116.57 121.67 2bkc h LYS 141 Ca 0.29 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2bkc h LYS 141 Cb 0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2bkc h LYS 141 CO -0.05 0.35 -0.03 0.45 -2.27 0.00 0.00 179.45 177.90 2bkc h HIS 142 N 0.16 0.17 0.03 1.91 3.86 -0.29 -2.08 115.15 118.92 2bkc h HIS 142 Ca 0.06 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2bkc h HIS 142 Cb 0.17 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2bkc h HIS 142 CO -0.01 0.21 -0.02 0.82 0.86 0.00 0.00 177.93 179.79 2bkc h ILE 143 N 0.17 1.31 -0.58 2.45 2.04 -1.00 -0.49 117.51 121.41 2bkc h ILE 143 Ca 0.04 -1.15 0.11 0.00 1.00 0.00 0.00 64.86 64.86 2bkc h ILE 143 Cb 0.17 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.24 2bkc h ILE 143 CO 0.01 0.29 0.04 -0.25 0.00 0.00 0.00 178.15 178.23 2bkc h TRP 144 N -0.56 0.03 -0.31 1.37 7.01 -1.32 -1.33 115.95 120.84 2bkc h TRP 144 Ca -0.00 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 2bkc h TRP 144 Cb 0.51 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 2bkc h TRP 144 CO 0.10 -0.11 -0.06 0.52 -2.79 0.00 0.00 178.44 176.09 2bkc h MET 145 N 0.15 0.59 -0.06 2.65 2.86 -1.10 -0.89 114.93 119.13 2bkc h MET 145 Ca 0.30 -0.22 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 2bkc h MET 145 Cb 0.47 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2bkc h MET 145 CO -0.46 0.77 -0.82 0.74 1.06 0.00 0.00 176.91 178.20 2bkc h PHE 146 N 0.36 0.68 -0.60 -0.22 -1.00 -1.03 -2.03 116.94 113.10 2bkc h PHE 146 Ca 0.08 -0.32 -0.06 0.00 2.81 0.00 0.00 57.97 60.48 2bkc h PHE 146 Cb 0.54 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 2bkc h PHE 146 CO 0.05 1.12 0.13 0.87 -1.61 0.00 0.00 178.31 178.87 2bkc h LYS 147 N 0.31 0.94 -0.84 1.51 1.79 -1.26 -2.23 116.57 116.79 2bkc h LYS 147 Ca -0.05 -0.21 0.02 0.00 -2.18 0.00 0.00 60.65 58.23 2bkc h LYS 147 Cb 1.42 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.90 2bkc h LYS 147 CO 0.15 0.84 0.55 0.00 -1.08 0.00 0.00 179.45 179.90 2bkc h ALA 148 N 1.25 1.09 -0.71 3.86 0.00 -1.03 -1.46 119.26 122.26 2bkc h ALA 148 Ca 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 148 Cb 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2bkc h ALA 148 CO 0.00 0.41 0.47 0.35 0.00 0.00 0.00 179.25 180.48 2bkc h PHE 149 N 1.08 0.79 -0.08 0.00 3.57 -0.87 -1.06 116.94 120.38 2bkc h PHE 149 Ca 0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2bkc h PHE 149 Cb -0.05 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2bkc h PHE 149 CO -0.02 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 2bkc n LEU 150 N -4.47 0.67 -1.03 0.59 4.77 -0.70 -4.93 117.00 111.91 2bkc n LEU 150 Ca 0.10 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 2bkc n LEU 150 Cb 0.17 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2bkc n LEU 150 CO 0.34 0.15 -0.12 0.61 -1.33 0.00 0.00 177.39 177.04 2bkc n GLY 151 N 0.52 0.43 3.23 -0.72 0.00 -0.40 -5.03 105.19 103.22 2bkc n GLY 151 Ca 0.03 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.87 0.99 0.80 1.61 1.02 -0.64 -5.02 119.74 114.62 2bkc s LYS 152 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 2bkc s LYS 152 Cb 0.00 -0.65 0.07 0.00 -0.52 0.00 0.00 37.83 36.73 2bkc s LYS 152 CO 0.00 0.10 1.09 0.00 -0.92 0.00 0.00 175.35 175.61 2bkc s ALA 153 N -2.81 2.16 0.39 5.17 0.00 -1.26 -3.42 121.76 121.98 2bkc s ALA 153 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.13 2bkc s ALA 153 Cb -0.01 -3.17 0.79 0.00 0.00 0.00 0.00 23.12 20.73 2bkc s ALA 153 CO 0.01 -1.79 1.95 -1.35 0.00 0.00 0.00 175.76 174.57 2bkc h PRO 154 N -1.14 0.34 -0.05 0.00 0.11 -1.89 -3.28 132.00 126.09 2bkc h PRO 154 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bkc h PRO 154 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bkc h PRO 154 CO 0.56 0.39 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 2bkc n LEU 155 N -4.33 1.73 0.00 2.35 4.77 -1.26 -4.78 117.00 115.49 2bkc n LEU 155 Ca 0.00 -1.36 0.11 0.00 -0.03 0.00 0.00 56.01 54.73 2bkc n LEU 155 Cb 0.21 -0.03 0.66 0.00 -2.33 0.00 0.00 43.42 41.93 2bkc n LEU 155 CO 0.37 0.40 0.85 -0.62 -1.33 0.00 0.00 177.39 177.07