#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc s ASP 8 N 0.00 4.82 0.03 4.52 -4.77 -1.26 -4.92 116.67 115.08 2bkc s ASP 8 Ca 0.00 -0.50 -0.23 0.00 -3.30 0.00 0.00 52.55 48.52 2bkc s ASP 8 Cb 0.00 -0.05 -0.16 0.00 -1.09 0.00 0.00 42.92 41.61 2bkc s ASP 8 CO 0.00 -1.51 1.44 0.74 0.70 0.00 0.00 175.17 176.54 2bkc h THR 9 N -0.12 1.26 -0.81 2.11 2.02 -1.99 -0.62 112.91 114.77 2bkc h THR 9 Ca -0.35 -0.82 0.16 0.00 0.77 0.00 0.00 66.41 66.17 2bkc h THR 9 Cb 1.28 1.69 -0.10 0.00 -1.74 0.00 0.00 68.15 69.28 2bkc h THR 9 CO 0.42 0.23 0.33 0.11 0.37 0.00 0.00 175.52 176.98 2bkc h LYS 10 N -0.19 0.43 -0.06 6.66 1.57 -1.97 -0.22 116.57 122.79 2bkc h LYS 10 Ca 0.02 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2bkc h LYS 10 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2bkc h LYS 10 CO 0.00 0.28 -0.85 0.93 -0.57 0.00 0.00 179.45 179.25 2bkc h GLU 11 N 0.44 0.52 -0.61 3.15 5.08 -1.88 -1.44 114.58 119.84 2bkc h GLU 11 Ca 0.46 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2bkc h GLU 11 Cb 0.75 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2bkc h GLU 11 CO -0.44 1.12 0.28 0.35 -1.00 0.00 0.00 179.01 179.31 2bkc h PHE 12 N 0.33 0.90 -0.20 4.33 3.57 -0.65 -0.06 116.94 125.15 2bkc h PHE 12 Ca -0.06 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.27 2bkc h PHE 12 Cb 1.47 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2bkc h PHE 12 CO 0.07 0.69 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.45 2bkc h LEU 13 N 0.84 0.63 -1.37 0.59 4.07 -0.88 -2.13 115.31 117.08 2bkc h LEU 13 Ca 0.21 -0.52 0.04 0.00 0.08 0.00 0.00 57.88 57.68 2bkc h LEU 13 Cb 0.15 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 2bkc h LEU 13 CO -0.02 1.03 0.46 -1.13 -1.08 0.00 0.00 178.44 177.70 2bkc h ASN 14 N 0.25 0.71 -0.61 -0.43 -0.73 -1.23 -1.98 115.58 111.56 2bkc h ASN 14 Ca 0.02 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 2bkc h ASN 14 Cb 0.90 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 2bkc h ASN 14 CO 0.07 0.48 0.23 -0.74 -0.37 0.00 0.00 177.43 177.10 2bkc h HIS 15 N 0.82 0.98 0.00 0.67 2.76 -0.52 -2.83 115.15 117.03 2bkc h HIS 15 Ca 0.28 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 58.23 2bkc h HIS 15 Cb 0.09 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2bkc h HIS 15 CO -0.00 0.77 -0.68 1.96 -1.30 0.00 0.00 177.93 178.68 2bkc h GLN 16 N 0.94 0.00 -0.01 5.26 1.08 -0.84 -1.96 115.11 119.58 2bkc h GLN 16 Ca 0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2bkc h GLN 16 Cb 0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2bkc h GLN 16 CO -0.01 0.68 -0.01 0.28 -0.95 0.00 0.00 178.83 178.82 2bkc h VAL 17 N 0.00 1.02 0.13 -0.54 2.07 -1.15 0.78 116.25 118.56 2bkc h VAL 17 Ca -0.01 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.26 2bkc h VAL 17 Cb 1.25 1.01 0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2bkc h VAL 17 CO 0.09 0.02 -0.88 0.00 0.02 0.00 0.00 177.57 176.81 2bkc h ALA 18 N 1.97 -0.05 -0.33 1.67 0.00 -1.28 -2.84 119.26 118.40 2bkc h ALA 18 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 54.91 54.23 2bkc h ALA 18 Cb 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2bkc h ALA 18 CO 0.00 0.43 -0.09 -0.91 0.00 0.00 0.00 179.25 178.69 2bkc h ASN 19 N -0.38 -0.32 -0.50 0.00 2.35 -0.97 -2.15 115.58 113.61 2bkc h ASN 19 Ca -0.16 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2bkc h ASN 19 Cb 1.64 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 40.20 2bkc h ASN 19 CO 0.13 -0.12 0.06 -0.07 -1.65 0.00 0.00 177.43 175.78 2bkc h LEU 20 N -0.01 0.85 -0.99 1.61 4.07 -0.95 0.36 115.31 120.27 2bkc h LEU 20 Ca 0.16 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 2bkc h LEU 20 Cb 0.25 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2bkc h LEU 20 CO -0.35 0.88 -0.45 0.78 -1.08 0.00 0.00 178.44 178.23 2bkc h ASN 21 N 0.84 0.13 -0.10 -0.43 2.35 -1.27 -1.27 115.58 115.84 2bkc h ASN 21 Ca 0.17 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2bkc h ASN 21 Cb 0.42 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2bkc h ASN 21 CO 0.01 0.57 -0.25 0.58 -1.65 0.00 0.00 177.43 176.69 2bkc h VAL 22 N 0.10 1.40 -0.86 2.81 2.07 -0.66 -3.14 116.25 117.97 2bkc h VAL 22 Ca 0.01 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.01 2bkc h VAL 22 Cb 0.84 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 2bkc h VAL 22 CO 0.06 0.46 0.53 0.15 0.02 0.00 0.00 177.57 178.79 2bkc h PHE 23 N -0.10 0.99 -0.42 1.57 3.57 -0.12 -1.62 116.94 120.81 2bkc h PHE 23 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2bkc h PHE 23 Cb 0.86 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2bkc h PHE 23 CO 0.11 0.51 0.14 1.15 -2.23 0.00 0.00 178.31 177.99 2bkc h THR 24 N 0.98 1.21 -0.35 4.41 2.02 -1.31 0.18 112.91 120.04 2bkc h THR 24 Ca 0.37 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2bkc h THR 24 Cb 0.16 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2bkc h THR 24 CO -0.17 0.25 -0.13 0.58 0.37 0.00 0.00 175.52 176.42 2bkc h VAL 25 N 0.54 1.25 -0.35 3.16 2.07 -1.41 -1.95 116.25 119.55 2bkc h VAL 25 Ca 0.14 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2bkc h VAL 25 Cb 0.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2bkc h VAL 25 CO -0.01 0.37 -0.05 0.50 0.02 0.00 0.00 177.57 178.40 2bkc h LYS 26 N 0.56 0.57 -0.73 1.57 3.64 -0.56 -2.24 116.57 119.38 2bkc h LYS 26 Ca 0.10 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2bkc h LYS 26 Cb 0.55 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2bkc h LYS 26 CO 0.03 0.63 0.41 0.82 -2.27 0.00 0.00 179.45 179.08 2bkc h ILE 27 N 0.54 1.22 -0.31 2.00 2.04 -0.19 -1.31 117.51 121.50 2bkc h ILE 27 Ca 0.11 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2bkc h ILE 27 Cb 0.42 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2bkc h ILE 27 CO 0.02 0.23 0.17 0.45 0.00 0.00 0.00 178.15 179.03 2bkc h HIS 28 N 1.00 0.32 -0.58 1.37 3.86 -1.29 0.10 115.15 119.92 2bkc h HIS 28 Ca 0.26 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.56 2bkc h HIS 28 Cb 0.01 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.32 2bkc h HIS 28 CO -0.01 0.19 0.24 0.37 0.86 0.00 0.00 177.93 179.58 2bkc h GLN 29 N 0.35 0.44 0.06 2.45 4.15 -1.02 0.79 115.11 122.33 2bkc h GLN 29 Ca 0.12 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2bkc h GLN 29 Cb 0.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2bkc h GLN 29 CO -0.06 0.29 -0.03 0.82 -1.93 0.00 0.00 178.83 177.91 2bkc h ILE 30 N 0.45 0.94 -0.58 2.39 2.04 -0.51 -2.46 117.51 119.78 2bkc h ILE 30 Ca 0.28 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.18 2bkc h ILE 30 Cb 0.30 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2bkc h ILE 30 CO -0.26 0.00 0.34 -0.74 0.00 0.00 0.00 178.15 177.49 2bkc h HIS 31 N -0.08 0.63 -0.18 1.37 2.76 0.76 -2.30 115.15 118.11 2bkc h HIS 31 Ca -0.01 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 2bkc h HIS 31 Cb 0.06 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 2bkc h HIS 31 CO -0.08 0.34 -0.60 -1.49 -1.30 0.00 0.00 177.93 174.81 2bkc h TRP 32 N 0.66 0.78 -0.00 5.26 6.55 -0.87 -3.33 115.95 125.00 2bkc h TRP 32 Ca 0.24 -0.29 0.00 0.00 0.95 0.00 0.00 58.89 59.79 2bkc h TRP 32 Cb 0.07 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 2bkc h TRP 32 CO -0.07 1.05 -0.81 0.66 -1.05 0.00 0.00 178.44 178.22 2bkc n TYR 33 N -3.95 0.00 -1.91 0.49 4.02 -0.93 -4.99 117.16 109.89 2bkc n TYR 33 Ca -0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.46 2bkc n TYR 33 Cb 0.64 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.97 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 -2.68 3.74 0.21 -0.72 0.23 -0.87 -4.98 119.30 114.23 2bkc s MET 34 Ca 0.08 2.27 0.02 0.00 -1.03 0.00 0.00 55.69 57.03 2bkc s MET 34 Cb 0.14 -2.65 -0.05 0.00 -1.53 0.00 0.00 34.83 30.75 2bkc s MET 34 CO 0.73 -0.72 0.03 1.03 -2.03 0.00 0.00 175.02 174.06 2bkc s ARG 35 N -2.42 1.25 0.00 3.16 0.52 -1.26 -5.00 118.95 115.20 2bkc s ARG 35 Ca 0.60 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2bkc s ARG 35 Cb -0.41 -0.35 0.00 0.00 0.52 0.00 0.00 34.95 34.71 2bkc s ARG 35 CO 0.52 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2bkc n GLY 36 N -0.35 0.71 0.22 -3.53 0.00 -1.26 -4.34 105.19 96.64 2bkc n GLY 36 Ca -0.04 -2.26 0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.73 1.61 3.86 -2.07 -2.51 115.15 115.31 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 -2.71 4.03 -0.28 2.45 4.13 -1.26 -4.56 115.26 117.06 2bkc n ASN 38 Ca 0.01 -2.05 0.08 0.00 1.68 0.00 0.00 54.58 54.30 2bkc n ASN 38 Cb 0.25 -0.50 0.23 0.00 -1.54 0.00 0.00 39.78 38.21 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 4.29 0.64 0.01 3.10 3.57 -1.75 -2.02 116.94 124.78 2bkc h PHE 39 Ca 0.00 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2bkc h PHE 39 Cb 1.04 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.63 2bkc h PHE 39 CO 0.52 0.08 -0.37 0.74 -2.23 0.00 0.00 178.31 177.06 2bkc h PHE 40 N 0.50 0.36 -0.32 0.41 -1.00 -1.85 -2.56 116.94 112.48 2bkc h PHE 40 Ca 0.47 -0.20 -0.16 0.00 2.81 0.00 0.00 57.97 60.88 2bkc h PHE 40 Cb 0.74 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 2bkc h PHE 40 CO -0.13 1.02 -0.44 0.00 -1.61 0.00 0.00 178.31 177.14 2bkc h THR 41 N -0.40 1.28 0.00 -1.55 1.03 -1.85 -2.51 112.91 108.91 2bkc h THR 41 Ca -0.05 -1.63 -0.18 0.00 -0.01 0.00 0.00 66.41 64.54 2bkc h THR 41 Cb 1.13 1.50 -0.03 0.00 -1.07 0.00 0.00 68.15 69.68 2bkc h THR 41 CO 0.07 0.53 -0.87 -0.07 -0.01 0.00 0.00 175.52 175.17 2bkc h LEU 42 N 0.67 0.00 -0.46 0.00 4.07 -1.52 -2.55 115.31 115.53 2bkc h LEU 42 Ca 0.04 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.05 2bkc h LEU 42 Cb 1.02 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.72 2bkc h LEU 42 CO 0.10 0.87 0.21 1.23 -1.08 0.00 0.00 178.44 179.77 2bkc h GLY 43 N 2.73 0.62 1.22 0.83 0.00 -1.31 0.54 103.07 107.71 2bkc h GLY 43 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 2bkc h GLY 43 CO 0.11 0.07 -0.05 0.83 0.00 0.00 0.00 176.54 177.51 2bkc h GLU 44 N 0.41 0.93 -0.24 4.80 5.08 -1.47 -1.55 114.58 122.54 2bkc h GLU 44 Ca 0.20 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2bkc h GLU 44 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2bkc h GLU 44 CO -0.17 0.95 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.33 2bkc h LYS 45 N 0.85 0.45 -0.13 2.33 1.63 -1.04 -1.99 116.57 118.66 2bkc h LYS 45 Ca 0.15 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 2bkc h LYS 45 Cb 0.57 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2bkc h LYS 45 CO 0.03 0.67 -0.39 0.52 -3.45 0.00 0.00 179.45 176.83 2bkc h MET 46 N 0.40 0.28 -0.60 1.90 2.86 0.41 -2.02 114.93 118.17 2bkc h MET 46 Ca 0.06 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2bkc h MET 46 Cb 0.65 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2bkc h MET 46 CO 0.05 0.64 0.16 -0.44 1.06 0.00 0.00 176.91 178.38 2bkc h ASP 47 N 0.24 0.90 -0.33 1.22 3.32 -0.87 -0.39 116.42 120.51 2bkc h ASP 47 Ca 0.02 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2bkc h ASP 47 Cb 0.80 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2bkc h ASP 47 CO 0.06 0.89 -0.05 0.44 -1.72 0.00 0.00 179.24 178.86 2bkc h ASP 48 N 0.87 0.62 -0.40 6.45 3.32 -1.31 -2.54 116.42 123.43 2bkc h ASP 48 Ca 0.19 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2bkc h ASP 48 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2bkc h ASP 48 CO -0.00 0.82 -0.19 0.25 -1.72 0.00 0.00 179.24 178.40 2bkc h LEU 49 N 0.41 0.87 -0.54 1.55 5.85 -1.25 -0.92 115.31 121.28 2bkc h LEU 49 Ca 0.09 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.46 2bkc h LEU 49 Cb 0.53 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2bkc h LEU 49 CO 0.03 1.08 0.26 0.22 -0.34 0.00 0.00 178.44 179.69 2bkc h TYR 50 N 0.66 0.48 -0.33 1.25 5.03 -1.11 0.30 116.97 123.24 2bkc h TYR 50 Ca 0.09 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2bkc h TYR 50 Cb 0.75 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 2bkc h TYR 50 CO 0.06 0.22 0.19 0.77 -1.32 0.00 0.00 178.16 178.07 2bkc h SER 51 N 0.50 0.41 -0.18 -2.11 0.02 -1.18 -2.38 113.55 108.64 2bkc h SER 51 Ca 0.24 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2bkc h SER 51 Cb 0.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2bkc h SER 51 CO -0.18 0.37 0.03 -0.08 -1.14 0.00 0.00 176.83 175.83 2bkc h GLU 52 N 0.42 0.30 0.00 3.45 4.81 -0.73 -2.22 114.58 120.61 2bkc h GLU 52 Ca 0.12 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2bkc h GLU 52 Cb 0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2bkc h GLU 52 CO -0.02 0.47 -0.37 0.74 -0.73 0.00 0.00 179.01 179.10 2bkc h PHE 53 N 0.09 0.00 -0.25 0.92 -1.00 -1.01 -0.82 116.94 114.87 2bkc h PHE 53 Ca 0.05 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.73 2bkc h PHE 53 Cb 0.32 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 2bkc h PHE 53 CO 0.02 0.37 -0.29 0.78 -1.61 0.00 0.00 178.31 177.58 2bkc h GLY 54 N 2.18 0.53 1.50 -1.45 0.00 -1.32 -1.34 103.07 103.18 2bkc h GLY 54 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 2bkc h GLY 54 CO 0.05 0.42 -0.38 0.83 0.00 0.00 0.00 176.54 177.46 2bkc h GLU 55 N 0.43 0.55 -0.51 4.80 4.39 -0.91 -2.22 114.58 121.12 2bkc h GLU 55 Ca 0.06 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2bkc h GLU 55 Cb 0.72 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2bkc h GLU 55 CO 0.06 0.85 0.22 1.96 -1.16 0.00 0.00 179.01 180.94 2bkc h GLN 56 N 0.46 0.75 0.01 2.33 4.20 -0.67 -2.24 115.11 119.95 2bkc h GLN 56 Ca 0.04 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2bkc h GLN 56 Cb 0.87 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2bkc h GLN 56 CO 0.07 0.64 -0.11 1.98 -0.67 0.00 0.00 178.83 180.75 2bkc h MET 57 N 0.68 -0.19 -0.24 1.46 4.05 -1.17 -0.89 114.93 118.64 2bkc h MET 57 Ca 0.17 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 2bkc h MET 57 Cb 0.16 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2bkc h MET 57 CO -0.02 -0.12 0.02 0.22 0.23 0.00 0.00 176.91 177.24 2bkc h ASP 58 N -0.19 0.32 -0.03 1.39 1.82 -1.18 -0.79 116.42 117.76 2bkc h ASP 58 Ca 0.04 -0.04 -0.26 0.00 -0.39 0.00 0.00 57.03 56.38 2bkc h ASP 58 Cb 0.24 -0.08 0.02 0.00 0.68 0.00 0.00 39.33 40.18 2bkc h ASP 58 CO -0.10 0.36 -0.98 -0.33 -1.61 0.00 0.00 179.24 176.58 2bkc h GLU 59 N 0.35 0.72 -0.10 0.28 5.08 -0.99 -1.28 114.58 118.64 2bkc h GLU 59 Ca 0.08 -0.73 0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2bkc h GLU 59 Cb 0.20 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2bkc h GLU 59 CO 0.00 1.31 -0.01 0.28 -1.00 0.00 0.00 179.01 179.60 2bkc h VAL 60 N 0.43 0.92 -0.90 3.13 2.07 -0.55 0.80 116.25 122.15 2bkc h VAL 60 Ca -0.11 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2bkc h VAL 60 Cb 1.63 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2bkc h VAL 60 CO 0.20 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.38 2bkc h ALA 61 N 1.09 1.44 0.00 1.67 0.00 -1.17 -0.81 119.26 121.48 2bkc h ALA 61 Ca 0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2bkc h ALA 61 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2bkc h ALA 61 CO -0.09 0.48 -0.76 0.93 0.00 0.00 0.00 179.25 179.81 2bkc h GLU 62 N 1.12 0.00 -0.24 0.00 5.08 -0.95 -2.01 114.58 117.58 2bkc h GLU 62 Ca 0.36 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2bkc h GLU 62 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2bkc h GLU 62 CO -0.11 0.76 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.48 2bkc h ARG 63 N 0.00 0.49 -0.89 2.33 9.65 -0.37 -2.27 114.38 123.33 2bkc h ARG 63 Ca -0.01 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2bkc h ARG 63 Cb 1.38 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.90 2bkc h ARG 63 CO 0.10 0.75 0.59 1.25 2.80 0.00 0.00 179.97 185.45 2bkc h LEU 64 N 0.21 1.02 -0.65 3.80 5.85 -1.09 -1.59 115.31 122.86 2bkc h LEU 64 Ca 0.06 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2bkc h LEU 64 Cb 0.59 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2bkc h LEU 64 CO 0.03 0.74 0.38 -0.07 -0.34 0.00 0.00 178.44 179.18 2bkc h LEU 65 N 1.21 0.79 -1.60 2.25 -0.00 -1.30 0.84 115.31 117.49 2bkc h LEU 65 Ca 0.33 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 58.10 2bkc h LEU 65 Cb -0.14 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.32 2bkc h LEU 65 CO -0.07 0.63 -0.16 0.00 -0.00 0.00 0.00 178.44 178.84 2bkc h ALA 66 N 1.19 1.16 -0.63 1.53 0.00 -0.69 -2.06 119.26 119.76 2bkc h ALA 66 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bkc h ALA 66 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bkc h ALA 66 CO -0.04 0.20 0.00 0.44 0.00 0.00 0.00 179.25 179.85 2bkc n ILE 67 N -3.52 0.83 -0.04 0.00 -5.35 -0.94 -4.95 119.36 105.39 2bkc n ILE 67 Ca -0.01 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 2bkc n ILE 67 Cb 0.32 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.55 0.98 4.01 3.28 0.00 -0.78 -5.06 105.19 109.17 2bkc n GLY 68 Ca 0.22 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.03 1.77 -0.32 -0.02 0.00 0.27 -5.00 107.32 102.00 2bkc s GLY 69 Ca 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.84 2bkc s GLY 69 CO 0.00 -1.42 0.10 -0.56 0.00 0.00 0.00 173.10 171.22 2bkc s SER 70 N -4.63 4.08 0.47 1.64 0.01 -1.26 -4.30 113.70 109.72 2bkc s SER 70 Ca 0.62 -1.76 -0.23 0.00 1.31 0.00 0.00 55.95 55.90 2bkc s SER 70 Cb -0.06 -0.95 -0.07 0.00 0.21 0.00 0.00 66.02 65.14 2bkc s SER 70 CO 0.40 -0.40 1.21 -2.16 0.41 0.00 0.00 173.24 172.70 2bkc s PRO 71 N 1.46 3.64 0.37 12.44 0.04 -1.26 -4.94 135.00 146.75 2bkc s PRO 71 Ca 0.10 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2bkc s PRO 71 Cb -0.18 -2.39 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2bkc s PRO 71 CO -0.22 -0.68 1.42 -0.06 0.04 0.00 0.00 177.00 177.50 2bkc s PHE 72 N -1.49 2.72 -0.11 0.56 2.99 -1.26 -4.92 117.98 116.47 2bkc s PHE 72 Ca 0.65 1.26 0.20 0.00 0.00 0.00 0.00 56.93 59.04 2bkc s PHE 72 Cb -0.31 -3.90 0.39 0.00 0.00 0.00 0.00 43.02 39.21 2bkc s PHE 72 CO 0.38 -2.61 1.16 -1.13 -0.00 0.00 0.00 175.22 173.02 2bkc n SER 73 N 0.46 0.67 -3.83 1.36 3.41 -1.26 -4.99 113.62 109.44 2bkc n SER 73 Ca 0.01 -2.03 -0.12 0.00 -0.26 0.00 0.00 58.87 56.48 2bkc n SER 73 Cb 0.40 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.18 0.08 0.29 6.66 -4.23 -1.26 -5.04 115.64 110.96 2bkc s THR 74 Ca 0.25 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2bkc s THR 74 Cb 0.32 -0.56 0.28 0.00 1.34 0.00 0.00 72.50 73.88 2bkc s THR 74 CO -0.10 -0.36 1.80 -0.07 -0.54 0.00 0.00 174.62 175.35 2bkc h LEU 75 N 4.02 0.81 0.20 4.79 4.07 -1.99 -2.04 115.31 125.17 2bkc h LEU 75 Ca -0.31 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.72 2bkc h LEU 75 Cb 1.19 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2bkc h LEU 75 CO 0.42 0.37 -0.13 0.50 -1.08 0.00 0.00 178.44 178.52 2bkc h LYS 76 N 0.85 -0.31 -0.02 1.13 3.64 -2.00 -0.89 116.57 118.98 2bkc h LYS 76 Ca 0.52 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.90 2bkc h LYS 76 Cb 0.66 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2bkc h LYS 76 CO -0.32 -0.21 -0.09 0.93 -2.27 0.00 0.00 179.45 177.49 2bkc h GLU 77 N -0.32 0.02 0.23 1.90 5.08 -1.90 -2.38 114.58 117.22 2bkc h GLU 77 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2bkc h GLU 77 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2bkc h GLU 77 CO 0.01 0.12 -0.11 0.74 -1.00 0.00 0.00 179.01 178.77 2bkc h PHE 78 N 0.02 -0.29 -0.65 4.33 0.05 -0.55 -2.56 116.94 117.29 2bkc h PHE 78 Ca 0.01 -0.01 0.13 0.00 3.82 0.00 0.00 57.97 61.92 2bkc h PHE 78 Cb 0.18 0.10 -0.12 0.00 2.00 0.00 0.00 35.95 38.10 2bkc h PHE 78 CO 0.00 0.06 -0.20 -0.07 -0.18 0.00 0.00 178.31 177.92 2bkc h LEU 79 N -0.94 -0.73 -1.48 1.54 3.38 -1.23 -1.70 115.31 114.15 2bkc h LEU 79 Ca -0.03 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.31 2bkc h LEU 79 Cb 0.48 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2bkc h LEU 79 CO 0.05 -0.24 0.55 -0.33 0.09 0.00 0.00 178.44 178.56 2bkc h GLU 80 N -0.04 0.47 -0.01 1.13 5.08 -1.45 -3.24 114.58 116.52 2bkc h GLU 80 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2bkc h GLU 80 Cb 0.50 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2bkc h GLU 80 CO -0.68 0.31 -0.33 0.09 -1.00 0.00 0.00 179.01 177.40 2bkc n ASN 81 N -4.51 1.55 -4.80 1.42 4.13 -0.97 -5.04 115.26 107.05 2bkc n ASN 81 Ca 0.16 -1.28 -0.39 0.00 1.68 0.00 0.00 54.58 54.76 2bkc n ASN 81 Cb 0.56 0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 39.22 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 -1.84 3.54 -0.08 5.41 0.00 -0.68 -4.86 121.76 123.25 2bkc s ALA 82 Ca 0.13 0.14 0.14 0.00 0.00 0.00 0.00 51.96 52.37 2bkc s ALA 82 Cb 0.12 -2.74 -0.16 0.00 0.00 0.00 0.00 23.12 20.34 2bkc s ALA 82 CO 0.39 0.37 0.85 0.66 0.00 0.00 0.00 175.76 178.03 2bkc h SER 83 N 4.42 0.00 -3.12 0.00 4.64 -1.91 -3.47 113.55 114.11 2bkc h SER 83 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 2bkc h SER 83 Cb 1.21 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.35 2bkc h SER 83 CO 0.64 0.75 0.80 -0.69 -0.87 0.00 0.00 176.83 177.46 2bkc s VAL 84 N -2.80 2.72 0.12 0.95 1.01 -1.26 -4.99 120.40 116.15 2bkc s VAL 84 Ca -0.03 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2bkc s VAL 84 Cb 0.08 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2bkc s VAL 84 CO 0.81 0.07 0.24 -1.61 0.00 0.00 0.00 175.10 174.60 2bkc s GLU 85 N 0.38 3.36 0.14 2.72 0.41 -1.26 -4.97 118.70 119.47 2bkc s GLU 85 Ca 0.64 -0.58 0.07 0.00 -0.41 0.00 0.00 54.97 54.68 2bkc s GLU 85 Cb -0.42 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 28.95 2bkc s GLU 85 CO 0.37 0.55 -0.15 -1.83 -0.49 0.00 0.00 175.26 173.71 2bkc s GLU 86 N -2.96 1.12 -0.03 1.61 -1.05 -1.26 -5.02 118.70 111.10 2bkc s GLU 86 Ca 0.34 -1.33 -0.04 0.00 -0.15 0.00 0.00 54.97 53.79 2bkc s GLU 86 Cb -0.12 -1.03 0.01 0.00 -0.44 0.00 0.00 34.13 32.55 2bkc s GLU 86 CO 0.27 0.20 0.10 0.00 0.95 0.00 0.00 175.26 176.78 2bkc s ALA 87 N -2.24 -0.25 0.50 -0.84 0.00 -1.26 -5.15 121.76 112.52 2bkc s ALA 87 Ca 0.12 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.11 2bkc s ALA 87 Cb -0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 2bkc s ALA 87 CO 0.04 -0.06 1.17 -2.14 0.00 0.00 0.00 175.76 174.77 2bkc s PRO 88 N -0.10 3.52 -0.53 0.00 0.02 -1.26 -4.91 135.00 131.75 2bkc s PRO 88 Ca -0.02 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 2bkc s PRO 88 Cb -0.02 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.29 2bkc s PRO 88 CO 0.00 -0.75 1.27 -0.47 -0.33 0.00 0.00 177.00 176.73 2bkc s TYR 89 N -1.60 2.53 -0.00 6.54 5.04 -1.26 -4.82 117.35 123.78 2bkc s TYR 89 Ca 0.68 0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 55.84 2bkc s TYR 89 Cb -0.28 -4.44 -0.00 0.00 0.35 0.00 0.00 41.96 37.59 2bkc s TYR 89 CO 0.33 -1.69 -0.00 0.25 -1.34 0.00 0.00 175.55 173.10 2bkc n THR 90 N 6.82 0.02 -2.69 4.34 -2.24 -1.26 -5.05 114.28 114.23 2bkc n THR 90 Ca 0.11 0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.71 2bkc n THR 90 Cb 0.49 -1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 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 -1.02 4.76 -0.14 -0.78 1.02 -1.26 -5.01 119.74 117.31 2bkc s LYS 91 Ca -0.00 1.54 -0.38 0.00 0.02 0.00 0.00 55.97 57.15 2bkc s LYS 91 Cb 0.00 -3.30 -0.15 0.00 -0.52 0.00 0.00 37.83 33.87 2bkc s LYS 91 CO 0.00 0.34 1.71 -0.35 -0.92 0.00 0.00 175.35 176.13 2bkc n PRO 92 N 1.95 1.50 -4.49 -1.68 -0.04 -1.26 -5.00 135.00 125.98 2bkc n PRO 92 Ca -0.00 0.55 -0.32 0.00 -0.04 0.00 0.00 63.50 63.69 2bkc n PRO 92 Cb 0.47 -2.28 -0.11 0.00 -0.04 0.00 0.00 33.50 31.55 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bkc s LYS 93 N 3.02 2.54 0.77 0.54 -0.14 -1.26 -5.13 119.74 120.08 2bkc s LYS 93 Ca 0.93 -0.72 -0.13 0.00 -1.36 0.00 0.00 55.97 54.70 2bkc s LYS 93 Cb -0.92 -2.49 0.06 0.00 -1.68 0.00 0.00 37.83 32.80 2bkc s LYS 93 CO 0.57 0.60 1.14 0.99 -0.76 0.00 0.00 175.35 177.90 2bkc s THR 94 N -0.97 2.70 0.18 2.17 2.01 -1.26 -4.80 115.64 115.67 2bkc s THR 94 Ca 0.16 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 2bkc s THR 94 Cb -0.11 -2.68 0.12 0.00 0.01 0.00 0.00 72.50 69.84 2bkc s THR 94 CO 0.07 -0.25 1.62 -0.03 -0.69 0.00 0.00 174.62 175.34 2bkc h MET 95 N -0.83 -0.14 -0.86 4.92 4.05 -1.99 -0.74 114.93 119.34 2bkc h MET 95 Ca -0.45 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.07 2bkc h MET 95 Cb 1.26 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 32.02 2bkc h MET 95 CO 0.49 -0.09 0.51 -0.44 0.23 0.00 0.00 176.91 177.61 2bkc h ASP 96 N -0.14 0.74 0.08 1.39 5.19 -1.95 -0.37 116.42 121.36 2bkc h ASP 96 Ca 0.21 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2bkc h ASP 96 Cb 0.48 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2bkc h ASP 96 CO -0.55 0.42 -0.04 1.56 -3.12 0.00 0.00 179.24 177.51 2bkc h GLN 97 N 0.84 -0.10 -0.62 3.56 4.20 -1.79 0.61 115.11 121.81 2bkc h GLN 97 Ca 0.42 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.23 2bkc h GLN 97 Cb 0.38 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2bkc h GLN 97 CO -0.25 0.06 0.23 -0.07 -0.67 0.00 0.00 178.83 178.13 2bkc h LEU 98 N -0.25 0.23 -0.83 1.46 3.38 -0.89 -1.74 115.31 116.68 2bkc h LEU 98 Ca -0.01 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2bkc h LEU 98 Cb 0.21 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2bkc h LEU 98 CO 0.02 0.13 -0.55 0.24 0.09 0.00 0.00 178.44 178.37 2bkc h MET 99 N 0.41 0.10 -0.48 1.13 2.86 -0.84 -2.08 114.93 116.03 2bkc h MET 99 Ca 0.32 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 2bkc h MET 99 Cb 0.40 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2bkc h MET 99 CO -0.31 0.62 0.07 0.93 1.06 0.00 0.00 176.91 179.28 2bkc h GLU 100 N 0.07 0.76 -0.25 1.72 5.08 -0.13 -0.08 114.58 121.76 2bkc h GLU 100 Ca -0.00 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2bkc h GLU 100 Cb 1.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2bkc h GLU 100 CO 0.08 0.73 -0.07 0.22 -1.00 0.00 0.00 179.01 178.97 2bkc h ASP 101 N 0.73 0.49 -0.09 1.42 3.58 -0.73 -1.61 116.42 120.22 2bkc h ASP 101 Ca 0.15 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.26 2bkc h ASP 101 Cb 0.35 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 2bkc h ASP 101 CO 0.01 0.75 -0.48 0.25 -2.88 0.00 0.00 179.24 176.89 2bkc h LEU 102 N 0.23 -1.51 -1.05 2.28 6.46 -1.22 -1.52 115.31 118.97 2bkc h LEU 102 Ca 0.06 0.18 0.10 0.00 -0.12 0.00 0.00 57.88 58.10 2bkc h LEU 102 Cb 0.54 0.59 -0.08 0.00 -0.73 0.00 0.00 40.66 40.98 2bkc h LEU 102 CO 0.03 -0.44 0.63 0.58 -0.62 0.00 0.00 178.44 178.62 2bkc h VAL 103 N -0.53 0.97 -0.31 1.05 2.07 -1.00 0.59 116.25 119.08 2bkc h VAL 103 Ca 0.02 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2bkc h VAL 103 Cb 0.61 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2bkc h VAL 103 CO -0.37 0.18 -0.17 1.23 0.02 0.00 0.00 177.57 178.47 2bkc h GLY 104 N 1.01 0.60 1.82 2.17 0.00 -1.04 -0.22 103.07 107.40 2bkc h GLY 104 Ca 0.47 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 2bkc h GLY 104 CO -0.23 0.41 -1.07 -0.84 0.00 0.00 0.00 176.54 174.81 2bkc h THR 105 N 0.50 1.59 0.00 4.70 2.02 -0.08 -2.05 112.91 119.60 2bkc h THR 105 Ca 0.08 -3.14 -0.06 0.00 0.77 0.00 0.00 66.41 64.07 2bkc h THR 105 Cb 0.58 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2bkc h THR 105 CO 0.04 0.91 -0.27 -0.07 0.37 0.00 0.00 175.52 176.50 2bkc h LEU 106 N 0.05 0.00 -0.23 2.58 3.38 -0.55 -1.98 115.31 118.56 2bkc h LEU 106 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 2bkc h LEU 106 Cb 1.80 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.55 2bkc h LEU 106 CO 0.16 0.27 -0.82 -0.33 0.09 0.00 0.00 178.44 177.81 2bkc h GLU 107 N 0.00 0.59 0.14 1.13 5.08 -0.79 -0.94 114.58 119.79 2bkc h GLU 107 Ca -0.00 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2bkc h GLU 107 Cb 0.47 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2bkc h GLU 107 CO 0.03 1.14 -0.07 1.25 -1.00 0.00 0.00 179.01 180.37 2bkc h LEU 108 N 0.39 -0.16 -0.60 1.33 6.46 -1.06 -2.22 115.31 119.45 2bkc h LEU 108 Ca -0.06 -0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 2bkc h LEU 108 Cb 1.43 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.34 2bkc h LEU 108 CO 0.15 -0.00 0.27 -0.07 -0.62 0.00 0.00 178.44 178.17 2bkc h LEU 109 N -0.31 0.34 -0.50 2.25 3.38 -1.36 -1.58 115.31 117.53 2bkc h LEU 109 Ca -0.02 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2bkc h LEU 109 Cb 0.25 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2bkc h LEU 109 CO 0.03 0.22 0.22 -0.09 0.09 0.00 0.00 178.44 178.90 2bkc h ARG 110 N 0.50 0.41 -0.10 1.13 2.43 -0.89 -0.11 114.38 117.75 2bkc h ARG 110 Ca 0.28 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.25 2bkc h ARG 110 Cb 0.27 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2bkc h ARG 110 CO -0.24 0.27 -0.65 -0.44 -1.51 0.00 0.00 179.97 177.41 2bkc h ASP 111 N 0.42 0.75 -0.51 -3.80 3.32 -1.18 -1.71 116.42 113.71 2bkc h ASP 111 Ca 0.23 -0.66 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2bkc h ASP 111 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2bkc h ASP 111 CO -0.20 1.29 0.13 -0.33 -1.72 0.00 0.00 179.24 178.40 2bkc h GLU 112 N 0.27 0.81 -0.67 3.56 5.08 -1.22 -2.17 114.58 120.24 2bkc h GLU 112 Ca -0.05 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2bkc h GLU 112 Cb 1.29 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2bkc h GLU 112 CO 0.13 0.78 0.44 1.88 -1.00 0.00 0.00 179.01 181.24 2bkc h TYR 113 N 0.70 0.67 -0.93 4.33 -1.99 -0.99 -0.61 116.97 118.15 2bkc h TYR 113 Ca 0.16 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2bkc h TYR 113 Cb 0.33 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 2bkc h TYR 113 CO 0.02 0.35 0.58 -0.22 -0.00 0.00 0.00 178.16 178.89 2bkc h LYS 114 N 0.66 1.24 -0.37 4.88 3.11 -0.68 -0.17 116.57 125.23 2bkc h LYS 114 Ca 0.29 -0.09 -0.12 0.00 -2.81 0.00 0.00 60.65 57.92 2bkc h LYS 114 Cb 0.31 -0.27 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2bkc h LYS 114 CO -0.09 0.84 -0.25 1.96 -2.81 0.00 0.00 179.45 179.10 2bkc h GLN 115 N 1.27 0.75 -0.60 1.90 4.20 -0.77 -2.75 115.11 119.11 2bkc h GLN 115 Ca 0.34 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2bkc h GLN 115 Cb -0.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2bkc h GLN 115 CO -0.07 0.93 0.23 0.78 -0.67 0.00 0.00 178.83 180.03 2bkc h GLY 116 N 0.96 0.94 1.40 3.46 0.00 -0.63 -0.08 103.07 109.12 2bkc h GLY 116 Ca 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2bkc h GLY 116 CO 0.06 0.46 -0.03 -2.22 0.00 0.00 0.00 176.54 174.81 2bkc h ILE 117 N 0.87 1.24 0.06 2.60 2.04 -0.87 0.11 117.51 123.56 2bkc h ILE 117 Ca 0.20 -1.02 -0.26 0.00 1.00 0.00 0.00 64.86 64.79 2bkc h ILE 117 Cb 0.18 0.95 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2bkc h ILE 117 CO -0.02 0.35 -1.04 -0.33 0.00 0.00 0.00 178.15 177.11 2bkc h GLU 118 N 0.68 0.59 -0.34 2.37 5.08 -1.24 -2.12 114.58 119.60 2bkc h GLU 118 Ca 0.13 -0.72 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 2bkc h GLU 118 Cb 0.47 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2bkc h GLU 118 CO 0.02 1.31 0.11 1.25 -1.00 0.00 0.00 179.01 180.71 2bkc h LEU 119 N 0.20 0.49 -0.43 1.33 5.85 -0.75 -1.89 115.31 120.13 2bkc h LEU 119 Ca -0.15 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.20 2bkc h LEU 119 Cb 1.72 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2bkc h LEU 119 CO 0.20 0.56 -0.78 0.00 -0.34 0.00 0.00 178.44 178.07 2bkc h THR 120 N 0.40 1.49 -0.72 1.05 1.03 -0.87 -2.23 112.91 113.06 2bkc h THR 120 Ca 0.11 -2.49 -0.03 0.00 -0.01 0.00 0.00 66.41 63.99 2bkc h THR 120 Cb 0.23 2.36 -0.03 0.00 -1.07 0.00 0.00 68.15 69.64 2bkc h THR 120 CO -0.01 0.72 0.32 -0.78 -0.01 0.00 0.00 175.52 175.77 2bkc h ASP 121 N 0.08 0.94 -0.60 0.00 -0.00 -1.27 -2.17 116.42 113.40 2bkc h ASP 121 Ca -0.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 56.88 2bkc h ASP 121 Cb 1.37 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 40.43 2bkc h ASP 121 CO 0.11 0.81 0.35 0.50 -0.00 0.00 0.00 179.24 181.01 2bkc h LYS 122 N 1.03 0.83 -0.00 0.28 3.64 -0.92 -3.03 116.57 118.40 2bkc h LYS 122 Ca 0.25 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2bkc h LYS 122 Cb 0.14 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2bkc h LYS 122 CO -0.03 0.61 -0.05 0.39 -2.27 0.00 0.00 179.45 178.10 2bkc n GLU 123 N -4.60 0.11 -1.74 1.90 1.02 -0.88 -4.92 120.64 111.53 2bkc n GLU 123 Ca 0.04 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 2bkc n GLU 123 Cb 0.07 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 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 1.45 0.45 3.43 0.62 0.00 -1.07 -4.98 105.19 105.09 2bkc n GLY 124 Ca 0.08 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.78 6.96 0.29 1.61 3.68 -0.84 -4.85 116.67 120.75 2bkc s ASP 125 Ca 0.00 -2.80 0.07 0.00 2.13 0.00 0.00 52.55 51.95 2bkc s ASP 125 Cb 0.00 -2.35 0.45 0.00 -1.45 0.00 0.00 42.92 39.57 2bkc s ASP 125 CO 0.00 -0.74 1.69 0.44 0.13 0.00 0.00 175.17 176.70 2bkc h ASP 126 N 7.60 0.23 -0.13 -0.34 3.32 -1.94 -2.13 116.42 123.03 2bkc h ASP 126 Ca 0.23 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2bkc h ASP 126 Cb 0.93 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2bkc h ASP 126 CO 1.12 0.64 -0.60 0.58 -1.72 0.00 0.00 179.24 179.25 2bkc h VAL 127 N 0.18 1.33 -0.56 -1.35 2.07 -1.97 -2.71 116.25 113.24 2bkc h VAL 127 Ca 0.01 -1.87 -0.11 0.00 0.82 0.00 0.00 66.70 65.56 2bkc h VAL 127 Cb 0.84 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 2bkc h VAL 127 CO 0.07 0.57 -0.08 0.74 0.02 0.00 0.00 177.57 178.89 2bkc h THR 128 N 0.29 1.27 -0.60 2.57 2.02 -1.95 -1.94 112.91 114.57 2bkc h THR 128 Ca -0.04 -1.25 0.12 0.00 0.77 0.00 0.00 66.41 66.02 2bkc h THR 128 Cb 1.23 0.92 -0.10 0.00 -1.74 0.00 0.00 68.15 68.47 2bkc h THR 128 CO 0.12 0.44 0.01 -1.13 0.37 0.00 0.00 175.52 175.34 2bkc h ASN 129 N 0.94 -0.25 0.11 4.18 -0.73 -1.45 -0.96 115.58 117.41 2bkc h ASN 129 Ca 0.15 0.14 -0.16 0.00 1.87 0.00 0.00 56.30 58.30 2bkc h ASN 129 Cb 0.66 0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 2bkc h ASN 129 CO 0.05 -0.10 -0.59 -0.78 -0.37 0.00 0.00 177.43 175.64 2bkc h ASP 130 N 0.13 0.55 -0.26 1.15 3.58 -1.12 -2.13 116.42 118.32 2bkc h ASP 130 Ca 0.31 -0.31 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2bkc h ASP 130 Cb 0.49 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2bkc h ASP 130 CO -0.50 1.02 -0.13 -0.03 -2.88 0.00 0.00 179.24 176.72 2bkc h MET 131 N 0.37 0.56 -0.92 0.28 4.05 -1.15 -2.52 114.93 115.60 2bkc h MET 131 Ca -0.00 -0.24 0.01 0.00 -0.28 0.00 0.00 59.70 59.18 2bkc h MET 131 Cb 1.13 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.87 2bkc h MET 131 CO 0.11 0.81 0.61 -0.07 0.23 0.00 0.00 176.91 178.59 2bkc h LEU 132 N 0.29 1.05 -0.65 3.39 4.07 -1.05 -2.36 115.31 120.05 2bkc h LEU 132 Ca 0.06 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 2bkc h LEU 132 Cb 0.64 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 2bkc h LEU 132 CO 0.04 0.76 0.10 0.40 -1.08 0.00 0.00 178.44 178.66 2bkc h ILE 133 N 1.24 1.26 -0.55 1.22 2.04 -1.30 -1.42 117.51 120.02 2bkc h ILE 133 Ca 0.34 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 2bkc h ILE 133 Cb -0.14 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2bkc h ILE 133 CO -0.07 0.39 0.15 0.00 0.00 0.00 0.00 178.15 178.61 2bkc h ALA 134 N 1.04 0.72 -0.73 1.87 0.00 -1.25 -1.13 119.26 119.78 2bkc h ALA 134 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2bkc h ALA 134 Cb 0.44 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 134 CO 0.01 0.40 0.48 0.74 0.00 0.00 0.00 179.25 180.88 2bkc h PHE 135 N 0.77 0.91 -0.23 0.00 0.05 -1.29 -2.17 116.94 114.99 2bkc h PHE 135 Ca 0.17 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.94 2bkc h PHE 135 Cb 0.31 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 2bkc h PHE 135 CO 0.02 0.57 -0.05 -0.22 -0.18 0.00 0.00 178.31 178.44 2bkc h LYS 136 N 0.98 0.35 -0.97 1.51 3.64 -0.85 -1.57 116.57 119.65 2bkc h LYS 136 Ca 0.27 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2bkc h LYS 136 Cb -0.10 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 2bkc h LYS 136 CO -0.06 0.42 0.60 0.00 -2.27 0.00 0.00 179.45 178.15 2bkc h ALA 137 N 1.62 1.24 0.13 5.00 0.00 -0.56 0.88 119.26 127.57 2bkc h ALA 137 Ca 0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 2bkc h ALA 137 Cb 0.32 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bkc h ALA 137 CO 0.01 0.67 -1.25 1.03 0.00 0.00 0.00 179.25 179.72 2bkc h SER 138 N 1.33 0.55 -0.38 0.00 0.87 -1.21 -2.51 113.55 112.20 2bkc h SER 138 Ca 0.35 -0.56 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2bkc h SER 138 Cb -0.09 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 2bkc h SER 138 CO -0.07 1.42 0.18 0.40 -0.53 0.00 0.00 176.83 178.24 2bkc h ILE 139 N 0.12 0.97 -0.89 2.23 2.04 -1.03 -1.35 117.51 119.62 2bkc h ILE 139 Ca -0.15 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2bkc h ILE 139 Cb 1.95 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 2bkc h ILE 139 CO 0.21 0.07 0.57 0.44 0.00 0.00 0.00 178.15 179.45 2bkc h ASP 140 N 0.38 1.03 -0.53 1.72 3.32 -0.78 -2.06 116.42 119.50 2bkc h ASP 140 Ca 0.16 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2bkc h ASP 140 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2bkc h ASP 140 CO -0.12 0.76 0.06 0.50 -1.72 0.00 0.00 179.24 178.72 2bkc h LYS 141 N 1.21 0.89 0.00 3.56 1.63 -1.07 -2.78 116.57 120.00 2bkc h LYS 141 Ca 0.32 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2bkc h LYS 141 Cb -0.12 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 2bkc h LYS 141 CO -0.07 0.89 -0.18 0.45 -3.45 0.00 0.00 179.45 177.09 2bkc h HIS 142 N 0.77 0.00 -0.04 1.91 3.86 -0.60 -2.24 115.15 118.81 2bkc h HIS 142 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2bkc h HIS 142 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2bkc h HIS 142 CO 0.03 0.18 -0.14 0.82 0.86 0.00 0.00 177.93 179.68 2bkc h ILE 143 N 0.00 1.45 -0.19 2.45 2.04 -1.21 0.13 117.51 122.19 2bkc h ILE 143 Ca -0.00 -1.54 0.05 0.00 1.00 0.00 0.00 64.86 64.37 2bkc h ILE 143 Cb 0.31 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.68 2bkc h ILE 143 CO 0.02 0.42 -0.31 -0.25 0.00 0.00 0.00 178.15 178.03 2bkc h TRP 144 N -0.38 -0.87 -0.40 1.37 7.01 -1.31 0.39 115.95 121.76 2bkc h TRP 144 Ca -0.00 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 2bkc h TRP 144 Cb 0.76 0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 2bkc h TRP 144 CO 0.13 -0.39 0.01 0.52 -2.79 0.00 0.00 178.44 175.93 2bkc h MET 145 N -0.36 0.70 -0.06 2.65 2.86 -1.19 0.31 114.93 119.83 2bkc h MET 145 Ca 0.11 -0.22 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 2bkc h MET 145 Cb 0.54 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2bkc h MET 145 CO -0.39 0.78 -0.74 0.74 1.06 0.00 0.00 176.91 178.37 2bkc h PHE 146 N 0.54 0.49 -0.86 -0.22 -1.00 -0.58 -1.93 116.94 113.37 2bkc h PHE 146 Ca 0.12 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.65 2bkc h PHE 146 Cb 0.45 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 2bkc h PHE 146 CO 0.04 0.97 0.42 0.87 -1.61 0.00 0.00 178.31 179.00 2bkc h LYS 147 N 0.24 1.23 -0.24 1.51 1.79 0.10 -2.67 116.57 118.53 2bkc h LYS 147 Ca -0.03 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2bkc h LYS 147 Cb 1.31 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 2bkc h LYS 147 CO 0.12 0.93 -0.20 0.00 -1.08 0.00 0.00 179.45 179.23 2bkc h ALA 148 N 1.23 1.22 0.00 3.86 0.00 -0.03 -1.49 119.26 124.04 2bkc h ALA 148 Ca 0.30 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bkc h ALA 148 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bkc h ALA 148 CO -0.04 0.50 -0.28 0.35 0.00 0.00 0.00 179.25 179.78 2bkc h PHE 149 N 0.38 0.00 0.00 0.00 3.57 -1.19 -2.41 116.94 117.29 2bkc h PHE 149 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2bkc h PHE 149 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2bkc h PHE 149 CO 0.02 0.28 -0.32 1.28 -2.23 0.00 0.00 178.31 177.34 2bkc n LEU 150 N -4.10 0.38 0.00 0.59 4.77 -0.64 -4.93 117.00 113.06 2bkc n LEU 150 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2bkc n LEU 150 Cb 0.34 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2bkc n LEU 150 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2bkc n GLY 151 N 1.47 1.67 3.14 -0.72 0.00 -0.91 -5.09 105.19 104.75 2bkc n GLY 151 Ca 0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.78 0.75 0.78 1.61 1.02 -0.72 -5.02 119.74 117.38 2bkc s LYS 152 Ca 0.00 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2bkc s LYS 152 Cb 0.00 -0.63 0.06 0.00 -0.52 0.00 0.00 37.83 36.74 2bkc s LYS 152 CO 0.00 0.13 1.08 0.00 -0.92 0.00 0.00 175.35 175.64 2bkc s ALA 153 N -1.52 2.21 0.18 5.17 0.00 -1.26 -3.39 121.76 123.16 2bkc s ALA 153 Ca -0.03 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2bkc s ALA 153 Cb -0.09 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.92 2bkc s ALA 153 CO 0.01 -1.76 1.74 -1.35 0.00 0.00 0.00 175.76 174.40 2bkc h PRO 154 N -1.12 0.99 -0.53 0.00 0.11 -1.89 -3.28 132.00 126.28 2bkc h PRO 154 Ca -0.45 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.47 2bkc h PRO 154 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2bkc h PRO 154 CO 0.54 0.83 0.00 1.28 -0.21 0.00 0.00 178.00 180.44 2bkc n LEU 155 N -4.40 3.63 0.00 2.35 4.77 -1.26 -4.83 117.00 117.26 2bkc n LEU 155 Ca 0.05 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 2bkc n LEU 155 Cb 0.18 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2bkc n LEU 155 CO 0.40 0.85 0.00 -0.62 -1.33 0.00 0.00 177.39 176.68