#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc h THR 9 N 0.00 1.26 -0.55 5.18 2.02 -1.99 -2.54 112.91 116.30 2bkc h THR 9 Ca 0.00 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.21 2bkc h THR 9 Cb 0.00 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2bkc h THR 9 CO 0.00 0.39 0.27 0.11 0.37 0.00 0.00 175.52 176.65 2bkc h LYS 10 N 1.03 0.50 -0.43 6.66 1.57 -1.98 -1.70 116.57 122.23 2bkc h LYS 10 Ca 0.21 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2bkc h LYS 10 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2bkc h LYS 10 CO 0.01 0.33 -0.11 1.49 -0.57 0.00 0.00 179.45 180.60 2bkc h GLU 11 N 0.51 0.83 0.14 3.15 4.57 -1.96 -1.67 114.58 120.16 2bkc h GLU 11 Ca 0.25 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2bkc h GLU 11 Cb 0.18 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2bkc h GLU 11 CO -0.18 0.95 -0.15 0.35 -1.18 0.00 0.00 179.01 178.79 2bkc h PHE 12 N 0.66 -0.40 -0.62 0.92 3.57 -1.13 -1.45 116.94 118.48 2bkc h PHE 12 Ca 0.11 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2bkc h PHE 12 Cb 0.65 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 2bkc h PHE 12 CO 0.05 -0.23 0.30 -0.07 -2.23 0.00 0.00 178.31 176.12 2bkc h LEU 13 N -0.33 0.39 -0.73 0.59 4.07 -1.25 -2.06 115.31 115.99 2bkc h LEU 13 Ca 0.01 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 2bkc h LEU 13 Cb 0.32 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 2bkc h LEU 13 CO -0.05 0.24 0.23 -1.13 -1.08 0.00 0.00 178.44 176.65 2bkc h ASN 14 N 0.53 1.06 -0.50 -0.43 -1.24 -1.20 0.13 115.58 113.93 2bkc h ASN 14 Ca 0.30 -0.21 0.06 0.00 0.71 0.00 0.00 56.30 57.16 2bkc h ASN 14 Cb 0.28 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 2bkc h ASN 14 CO -0.23 0.98 0.20 -0.74 -1.29 0.00 0.00 177.43 176.35 2bkc h HIS 15 N 1.07 0.36 -0.04 0.67 2.76 -0.76 -1.86 115.15 117.35 2bkc h HIS 15 Ca 0.23 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.34 2bkc h HIS 15 Cb 0.30 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2bkc h HIS 15 CO 0.02 0.14 -0.38 1.96 -1.30 0.00 0.00 177.93 178.37 2bkc h GLN 16 N 0.40 0.09 -0.57 5.26 1.08 -0.94 -0.63 115.11 119.79 2bkc h GLN 16 Ca 0.24 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 2bkc h GLN 16 Cb 0.23 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 2bkc h GLN 16 CO -0.22 0.46 0.32 0.28 -0.95 0.00 0.00 178.83 178.72 2bkc h VAL 17 N 0.08 1.01 -0.26 -0.54 2.07 -0.01 0.28 116.25 118.88 2bkc h VAL 17 Ca 0.01 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2bkc h VAL 17 Cb 0.71 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2bkc h VAL 17 CO 0.05 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 2bkc h ALA 18 N 1.27 0.35 -0.48 1.67 0.00 -0.98 -2.88 119.26 118.21 2bkc h ALA 18 Ca 0.24 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2bkc h ALA 18 Cb 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2bkc h ALA 18 CO -0.13 0.13 0.03 -0.91 0.00 0.00 0.00 179.25 178.37 2bkc h ASN 19 N 0.24 -0.13 0.09 0.00 2.35 -0.78 -2.69 115.58 114.65 2bkc h ASN 19 Ca 0.07 0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 2bkc h ASN 19 Cb 0.49 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 2bkc h ASN 19 CO 0.02 -0.04 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.28 2bkc h LEU 20 N 0.15 0.44 -1.27 1.61 -0.00 -0.92 -0.86 115.31 114.46 2bkc h LEU 20 Ca 0.24 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 2bkc h LEU 20 Cb 0.35 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2bkc h LEU 20 CO -0.37 0.80 -0.36 0.78 -0.00 0.00 0.00 178.44 179.29 2bkc h ASN 21 N 0.35 0.00 0.45 -0.43 2.35 -1.28 -2.38 115.58 114.64 2bkc h ASN 21 Ca 0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.48 2bkc h ASN 21 Cb 0.87 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.26 2bkc h ASN 21 CO 0.07 0.36 -1.34 0.58 -1.65 0.00 0.00 177.43 175.46 2bkc h VAL 22 N 0.00 1.40 -0.47 2.81 2.07 -1.04 -3.14 116.25 117.88 2bkc h VAL 22 Ca -0.00 -2.87 -0.05 0.00 0.82 0.00 0.00 66.70 64.59 2bkc h VAL 22 Cb 0.65 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 2bkc h VAL 22 CO 0.05 0.85 0.08 0.15 0.02 0.00 0.00 177.57 178.72 2bkc h PHE 23 N 0.12 0.75 -0.26 1.57 3.57 -1.16 -1.61 116.94 119.92 2bkc h PHE 23 Ca -0.19 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.12 2bkc h PHE 23 Cb 2.05 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 2bkc h PHE 23 CO 0.09 0.66 -0.32 1.15 -2.23 0.00 0.00 178.31 177.66 2bkc h THR 24 N 0.70 1.31 -0.28 4.41 2.02 -1.52 0.09 112.91 119.63 2bkc h THR 24 Ca 0.15 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.76 2bkc h THR 24 Cb 0.31 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2bkc h THR 24 CO 0.00 0.48 -0.08 0.58 0.37 0.00 0.00 175.52 176.87 2bkc h VAL 25 N 0.41 1.21 -0.57 3.16 2.07 -1.47 -2.51 116.25 118.53 2bkc h VAL 25 Ca 0.03 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2bkc h VAL 25 Cb 0.90 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2bkc h VAL 25 CO 0.08 0.29 -0.03 0.50 0.02 0.00 0.00 177.57 178.43 2bkc h LYS 26 N 0.43 1.02 -0.57 1.57 3.64 -0.84 -1.28 116.57 120.53 2bkc h LYS 26 Ca 0.09 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2bkc h LYS 26 Cb 0.41 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2bkc h LYS 26 CO 0.02 1.01 0.34 0.82 -2.27 0.00 0.00 179.45 179.37 2bkc h ILE 27 N 0.93 1.03 -0.60 2.00 2.04 -0.62 -1.54 117.51 120.75 2bkc h ILE 27 Ca 0.16 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2bkc h ILE 27 Cb 0.57 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2bkc h ILE 27 CO 0.03 0.12 0.24 0.45 0.00 0.00 0.00 178.15 178.99 2bkc h HIS 28 N 0.65 0.92 -0.46 1.37 3.86 -1.20 -2.56 115.15 117.73 2bkc h HIS 28 Ca 0.24 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 2bkc h HIS 28 Cb 0.06 -0.27 -0.10 0.00 1.06 0.00 0.00 27.41 28.16 2bkc h HIS 28 CO -0.07 0.73 -0.29 0.37 0.86 0.00 0.00 177.93 179.54 2bkc h GLN 29 N 0.84 -0.18 -0.42 2.45 4.15 -0.34 -0.70 115.11 120.90 2bkc h GLN 29 Ca 0.20 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.65 2bkc h GLN 29 Cb 0.20 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2bkc h GLN 29 CO -0.02 -0.12 0.25 0.82 -1.93 0.00 0.00 178.83 177.83 2bkc h ILE 30 N -0.19 1.04 -0.34 2.39 2.04 -0.94 -1.14 117.51 120.37 2bkc h ILE 30 Ca 0.20 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2bkc h ILE 30 Cb 0.52 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2bkc h ILE 30 CO -0.57 0.09 0.10 -0.74 0.00 0.00 0.00 178.15 177.03 2bkc h HIS 31 N 0.49 0.55 -0.12 1.37 2.76 -1.25 -1.39 115.15 117.56 2bkc h HIS 31 Ca 0.17 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 2bkc h HIS 31 Cb 0.02 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2bkc h HIS 31 CO -0.07 0.55 -0.34 -1.49 -1.30 0.00 0.00 177.93 175.28 2bkc h TRP 32 N 0.39 0.28 -0.00 5.26 6.55 -0.88 -3.30 115.95 124.24 2bkc h TRP 32 Ca 0.11 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2bkc h TRP 32 Cb 0.27 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 2bkc h TRP 32 CO 0.01 0.56 -0.69 0.66 -1.05 0.00 0.00 178.44 177.94 2bkc n TYR 33 N -4.09 0.00 -2.09 0.49 4.02 -0.45 -5.01 117.16 110.04 2bkc n TYR 33 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.50 2bkc n TYR 33 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.76 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 -2.44 3.53 0.03 -0.72 0.23 -0.53 -4.99 119.30 114.41 2bkc s MET 34 Ca 0.08 1.94 -0.01 0.00 -1.03 0.00 0.00 55.69 56.67 2bkc s MET 34 Cb 0.13 -2.35 -0.03 0.00 -1.53 0.00 0.00 34.83 31.06 2bkc s MET 34 CO 0.63 -0.79 -0.01 1.03 -2.03 0.00 0.00 175.02 173.84 2bkc s ARG 35 N -2.78 0.45 0.00 3.16 0.52 -1.26 -4.99 118.95 114.05 2bkc s ARG 35 Ca 0.67 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 2bkc s ARG 35 Cb -0.33 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.30 2bkc s ARG 35 CO 0.39 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.04 2bkc n GLY 36 N 0.95 -0.05 0.26 -3.53 0.00 -1.26 -4.50 105.19 97.06 2bkc n GLY 36 Ca -0.20 -2.28 0.17 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.62 1.61 3.86 -2.06 -0.98 115.15 116.96 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 -2.91 4.46 -0.36 2.45 5.03 -1.26 -4.57 115.26 118.10 2bkc n ASN 38 Ca 0.00 -2.39 0.01 0.00 0.87 0.00 0.00 54.58 53.07 2bkc n ASN 38 Cb 0.24 -0.56 0.15 0.00 -1.02 0.00 0.00 39.78 38.59 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2bkc h PHE 39 N 3.86 1.17 0.05 3.10 3.57 -1.48 -0.04 116.94 127.17 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 1.35 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2bkc h PHE 39 CO 0.71 0.64 -0.02 0.74 -2.23 0.00 0.00 178.31 178.15 2bkc h PHE 40 N 1.18 -0.06 0.01 0.41 -1.00 -1.84 -1.65 116.94 113.99 2bkc h PHE 40 Ca 0.40 -0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.95 2bkc h PHE 40 Cb 0.08 0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2bkc h PHE 40 CO -0.01 0.51 -0.98 0.00 -1.61 0.00 0.00 178.31 176.23 2bkc h THR 41 N -0.70 1.40 -0.14 -1.55 1.03 -1.85 -2.65 112.91 108.44 2bkc h THR 41 Ca -0.01 -2.47 -0.08 0.00 -0.01 0.00 0.00 66.41 63.84 2bkc h THR 41 Cb 0.60 2.46 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 2bkc h THR 41 CO 0.01 0.74 -0.29 -0.07 -0.01 0.00 0.00 175.52 175.90 2bkc h LEU 42 N 0.23 0.26 -0.17 0.00 4.07 -1.13 -2.28 115.31 116.30 2bkc h LEU 42 Ca -0.09 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 2bkc h LEU 42 Cb 1.62 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.28 2bkc h LEU 42 CO 0.17 0.55 0.07 1.23 -1.08 0.00 0.00 178.44 179.38 2bkc h GLY 43 N 1.03 0.27 1.25 0.83 0.00 -1.14 -0.03 103.07 105.28 2bkc h GLY 43 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 2bkc h GLY 43 CO 0.05 0.13 -0.26 1.05 0.00 0.00 0.00 176.54 177.51 2bkc h GLU 44 N 0.13 0.84 -0.26 4.80 4.11 -1.45 -2.56 114.58 120.18 2bkc h GLU 44 Ca 0.06 -0.37 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 2bkc h GLU 44 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2bkc h GLU 44 CO -0.01 1.01 0.06 0.87 0.07 0.00 0.00 179.01 181.02 2bkc h LYS 45 N 0.72 0.37 -0.09 1.06 1.79 -1.04 -2.39 116.57 116.98 2bkc h LYS 45 Ca 0.09 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.37 2bkc h LYS 45 Cb 0.81 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2bkc h LYS 45 CO 0.07 0.35 -0.54 0.52 -1.08 0.00 0.00 179.45 178.76 2bkc h MET 46 N 0.37 0.27 -0.61 3.15 2.86 -0.69 -1.50 114.93 118.79 2bkc h MET 46 Ca 0.09 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2bkc h MET 46 Cb 0.15 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2bkc h MET 46 CO -0.00 0.74 0.39 -0.44 1.06 0.00 0.00 176.91 178.66 2bkc h ASP 47 N 0.21 0.71 -0.23 1.22 3.32 -1.06 0.72 116.42 121.31 2bkc h ASP 47 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2bkc h ASP 47 Cb 1.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2bkc h ASP 47 CO 0.09 0.53 0.01 0.44 -1.72 0.00 0.00 179.24 178.58 2bkc h ASP 48 N 0.82 0.40 -1.00 6.45 3.32 -1.22 -2.21 116.42 122.97 2bkc h ASP 48 Ca 0.22 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.00 2bkc h ASP 48 Cb -0.07 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 2bkc h ASP 48 CO -0.05 0.60 0.66 -0.07 -1.72 0.00 0.00 179.24 178.66 2bkc h LEU 49 N 0.18 1.11 0.46 1.55 4.07 -1.19 -0.04 115.31 121.44 2bkc h LEU 49 Ca 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2bkc h LEU 49 Cb 0.40 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2bkc h LEU 49 CO 0.01 0.77 -0.34 0.22 -1.08 0.00 0.00 178.44 178.03 2bkc h TYR 50 N 1.29 -0.90 -0.48 1.13 5.03 -0.67 -0.97 116.97 121.40 2bkc h TYR 50 Ca 0.39 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.79 2bkc h TYR 50 Cb -0.05 0.34 -0.09 0.00 1.55 0.00 0.00 36.73 38.48 2bkc h TYR 50 CO -0.00 -0.50 -0.09 0.77 -1.32 0.00 0.00 178.16 177.02 2bkc h SER 51 N -0.78 -0.38 0.04 -2.11 0.02 -1.18 -1.55 113.55 107.61 2bkc h SER 51 Ca -0.05 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2bkc h SER 51 Cb 0.67 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2bkc h SER 51 CO 0.01 -0.14 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.46 2bkc h GLU 52 N 0.03 -0.06 0.00 3.45 4.81 -0.64 -0.60 114.58 121.57 2bkc h GLU 52 Ca 0.24 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2bkc h GLU 52 Cb 0.36 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2bkc h GLU 52 CO -0.47 0.24 -0.39 0.74 -0.73 0.00 0.00 179.01 178.40 2bkc h PHE 53 N -0.35 0.00 -0.56 0.92 -1.00 -1.17 -0.14 116.94 114.64 2bkc h PHE 53 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2bkc h PHE 53 Cb 0.32 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 2bkc h PHE 53 CO 0.02 0.39 0.25 0.78 -1.61 0.00 0.00 178.31 178.14 2bkc h GLY 54 N 1.76 0.88 0.88 -1.45 0.00 -1.13 0.57 103.07 104.58 2bkc h GLY 54 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2bkc h GLY 54 CO 0.05 0.43 0.34 0.83 0.00 0.00 0.00 176.54 178.19 2bkc h GLU 55 N 0.76 0.66 -0.40 4.80 4.39 -0.17 -1.91 114.58 122.71 2bkc h GLU 55 Ca 0.19 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2bkc h GLU 55 Cb 0.15 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2bkc h GLU 55 CO -0.02 0.44 0.26 1.96 -1.16 0.00 0.00 179.01 180.48 2bkc h GLN 56 N 0.68 0.51 -0.59 2.33 4.20 -0.83 -1.25 115.11 120.17 2bkc h GLN 56 Ca 0.23 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.96 2bkc h GLN 56 Cb 0.02 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 2bkc h GLN 56 CO -0.10 0.34 0.31 1.98 -0.67 0.00 0.00 178.83 180.69 2bkc h MET 57 N 0.53 0.56 -0.72 1.46 4.05 -0.60 -0.01 114.93 120.20 2bkc h MET 57 Ca 0.15 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.47 2bkc h MET 57 Cb -0.05 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 2bkc h MET 57 CO -0.04 0.37 0.20 0.22 0.23 0.00 0.00 176.91 177.89 2bkc h ASP 58 N 0.58 1.07 0.08 1.39 -0.00 -1.03 -2.41 116.42 116.10 2bkc h ASP 58 Ca 0.26 -0.22 -0.12 0.00 -0.00 0.00 0.00 57.03 56.95 2bkc h ASP 58 Cb 0.17 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.21 2bkc h ASP 58 CO -0.18 1.01 -0.42 -0.33 -0.00 0.00 0.00 179.24 179.33 2bkc h GLU 59 N 1.08 0.43 0.17 0.28 5.08 -0.26 -1.37 114.58 119.99 2bkc h GLU 59 Ca 0.23 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 59 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bkc h GLU 59 CO -0.00 0.77 -0.08 0.28 -1.00 0.00 0.00 179.01 178.98 2bkc h VAL 60 N 0.35 0.94 -1.00 3.13 2.07 -0.80 -1.29 116.25 119.64 2bkc h VAL 60 Ca 0.03 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2bkc h VAL 60 Cb 0.88 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 2bkc h VAL 60 CO 0.07 0.12 0.64 0.00 0.02 0.00 0.00 177.57 178.42 2bkc h ALA 61 N 0.32 1.45 -0.10 1.67 0.00 -1.42 -0.53 119.26 120.64 2bkc h ALA 61 Ca -0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2bkc h ALA 61 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bkc h ALA 61 CO 0.04 0.35 -0.73 0.93 0.00 0.00 0.00 179.25 179.84 2bkc h GLU 62 N 1.10 0.50 -0.56 0.00 5.08 -1.17 -1.03 114.58 118.50 2bkc h GLU 62 Ca 0.46 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 62 Cb 0.30 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 62 CO -0.21 1.03 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.71 2bkc h ARG 63 N 0.34 1.01 -0.25 2.33 9.65 -0.82 -1.85 114.38 124.79 2bkc h ARG 63 Ca -0.03 -0.33 0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2bkc h ARG 63 Cb 1.32 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2bkc h ARG 63 CO 0.13 1.02 0.15 1.25 2.80 0.00 0.00 179.97 185.32 2bkc h LEU 64 N 0.89 0.26 -0.92 3.80 5.85 -0.81 -2.15 115.31 122.23 2bkc h LEU 64 Ca 0.15 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2bkc h LEU 64 Cb 0.58 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 2bkc h LEU 64 CO 0.03 0.19 0.56 -0.07 -0.34 0.00 0.00 178.44 178.81 2bkc h LEU 65 N 0.32 0.82 -1.14 2.25 -0.00 -1.10 -0.75 115.31 115.71 2bkc h LEU 65 Ca 0.10 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.97 2bkc h LEU 65 Cb -0.02 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2bkc h LEU 65 CO -0.03 0.46 0.06 0.00 -0.00 0.00 0.00 178.44 178.93 2bkc h ALA 66 N 1.49 1.30 -0.46 1.53 0.00 -0.74 -2.89 119.26 119.50 2bkc h ALA 66 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bkc h ALA 66 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bkc h ALA 66 CO -0.25 0.48 0.00 0.44 0.00 0.00 0.00 179.25 179.93 2bkc n ILE 67 N -4.28 0.93 0.00 0.00 -5.35 -0.86 -4.91 119.36 104.88 2bkc n ILE 67 Ca 0.03 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2bkc n ILE 67 Cb 0.24 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.06 0.64 3.95 3.28 0.00 -1.06 -5.05 105.19 108.00 2bkc n GLY 68 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.11 1.79 -0.31 -0.02 0.00 -0.33 -4.98 107.32 102.36 2bkc s GLY 69 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.33 2bkc s GLY 69 CO 0.00 -0.62 0.11 -0.56 0.00 0.00 0.00 173.10 172.02 2bkc s SER 70 N -4.89 3.94 0.31 1.64 0.01 -1.26 -4.36 113.70 109.10 2bkc s SER 70 Ca 0.73 -1.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.08 2bkc s SER 70 Cb -0.03 -0.79 -0.10 0.00 0.21 0.00 0.00 66.02 65.30 2bkc s SER 70 CO 0.52 -0.41 1.23 -2.16 0.41 0.00 0.00 173.24 172.82 2bkc s PRO 71 N 1.65 4.46 0.40 12.44 0.04 -1.26 -4.98 135.00 147.75 2bkc s PRO 71 Ca 0.10 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 2bkc s PRO 71 Cb -0.17 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 2bkc s PRO 71 CO -0.26 -0.04 1.03 1.19 0.04 0.00 0.00 177.00 178.96 2bkc n PHE 72 N 0.95 1.26 -2.39 0.56 0.99 -1.26 -4.92 117.46 112.65 2bkc n PHE 72 Ca -0.00 0.57 -0.03 0.00 -0.00 0.00 0.00 57.45 57.98 2bkc n PHE 72 Cb 0.43 -2.24 0.02 0.00 -1.00 0.00 0.00 39.48 36.69 2bkc n PHE 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bkc n SER 73 N 0.58 -0.61 -3.92 4.37 3.41 -1.26 -4.95 113.62 111.24 2bkc n SER 73 Ca 0.09 -2.08 -0.10 0.00 -0.26 0.00 0.00 58.87 56.53 2bkc n SER 73 Cb 0.38 0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 2bkc n SER 73 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bkc s THR 74 N -0.39 0.05 0.15 6.66 -4.23 -1.26 -5.05 115.64 111.58 2bkc s THR 74 Ca 0.11 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.24 2bkc s THR 74 Cb 0.24 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.27 2bkc s THR 74 CO -0.07 -0.21 1.60 -0.07 -0.54 0.00 0.00 174.62 175.33 2bkc h LEU 75 N 2.42 0.88 -0.30 4.79 4.07 -1.99 -2.04 115.31 123.15 2bkc h LEU 75 Ca -0.30 -0.31 0.07 0.00 0.08 0.00 0.00 57.88 57.41 2bkc h LEU 75 Cb 1.24 -0.24 -0.07 0.00 1.08 0.00 0.00 40.66 42.67 2bkc h LEU 75 CO 0.44 0.98 -0.15 0.50 -1.08 0.00 0.00 178.44 179.13 2bkc h LYS 76 N 0.76 -0.10 -0.20 1.13 1.63 -1.99 0.52 116.57 118.31 2bkc h LYS 76 Ca 0.14 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 2bkc h LYS 76 Cb 0.53 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2bkc h LYS 76 CO 0.03 -0.07 -0.40 0.93 -3.45 0.00 0.00 179.45 176.49 2bkc h GLU 77 N -0.10 0.46 -0.34 1.90 5.08 -1.95 -1.46 114.58 118.17 2bkc h GLU 77 Ca 0.16 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2bkc h GLU 77 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2bkc h GLU 77 CO -0.37 0.79 0.16 0.74 -1.00 0.00 0.00 179.01 179.33 2bkc h PHE 78 N 0.39 0.49 -0.70 4.33 0.05 -0.60 -2.60 116.94 118.29 2bkc h PHE 78 Ca 0.03 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 2bkc h PHE 78 Cb 0.87 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.64 2bkc h PHE 78 CO 0.03 0.43 0.40 -0.07 -0.18 0.00 0.00 178.31 178.92 2bkc h LEU 79 N 0.41 0.86 -1.73 1.54 3.38 -0.70 -2.03 115.31 117.03 2bkc h LEU 79 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bkc h LEU 79 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2bkc h LEU 79 CO -0.01 0.70 -0.03 -0.33 0.09 0.00 0.00 178.44 178.85 2bkc h GLU 80 N 0.96 0.12 -0.00 1.13 5.08 -1.18 -3.35 114.58 117.35 2bkc h GLU 80 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2bkc h GLU 80 Cb 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2bkc h GLU 80 CO -0.04 0.17 -0.19 0.09 -1.00 0.00 0.00 179.01 178.04 2bkc n ASN 81 N -4.42 0.20 -4.81 1.42 4.13 -0.99 -5.04 115.26 105.75 2bkc n ASN 81 Ca -0.02 -0.60 -0.35 0.00 1.68 0.00 0.00 54.58 55.30 2bkc n ASN 81 Cb 0.16 0.99 -0.07 0.00 -1.54 0.00 0.00 39.78 39.32 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 -1.36 3.13 -0.36 5.41 0.00 -0.79 -4.87 121.76 122.93 2bkc s ALA 82 Ca 0.02 0.42 0.17 0.00 0.00 0.00 0.00 51.96 52.57 2bkc s ALA 82 Cb 0.03 -3.13 -0.22 0.00 0.00 0.00 0.00 23.12 19.79 2bkc s ALA 82 CO 0.16 0.16 0.51 -1.13 0.00 0.00 0.00 175.76 175.47 2bkc n SER 83 N -0.12 0.98 -4.70 0.00 3.41 -1.26 -4.91 113.62 107.01 2bkc n SER 83 Ca 0.05 -0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 57.84 2bkc n SER 83 Cb 0.52 1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 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 -2.89 3.38 0.16 -3.33 1.01 -1.26 -5.01 120.40 112.45 2bkc s VAL 84 Ca -0.01 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 2bkc s VAL 84 Cb 0.11 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2bkc s VAL 84 CO 0.69 0.03 0.47 -1.61 0.00 0.00 0.00 175.10 174.69 2bkc s GLU 85 N 1.79 3.79 0.10 2.72 2.02 -1.26 -5.00 118.70 122.86 2bkc s GLU 85 Ca 0.66 0.21 0.06 0.00 0.02 0.00 0.00 54.97 55.92 2bkc s GLU 85 Cb -0.36 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 2bkc s GLU 85 CO 0.29 0.44 -0.15 -1.83 0.02 0.00 0.00 175.26 174.04 2bkc s GLU 86 N -2.39 0.94 -0.00 1.61 -1.05 -1.26 -5.02 118.70 111.53 2bkc s GLU 86 Ca 0.41 -1.10 -0.05 0.00 -0.15 0.00 0.00 54.97 54.07 2bkc s GLU 86 Cb -0.13 -0.92 -0.00 0.00 -0.44 0.00 0.00 34.13 32.64 2bkc s GLU 86 CO 0.21 0.19 0.10 0.00 0.95 0.00 0.00 175.26 176.70 2bkc s ALA 87 N -1.66 -0.22 0.75 -0.84 0.00 -1.26 -5.15 121.76 113.38 2bkc s ALA 87 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 2bkc s ALA 87 Cb -0.08 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2bkc s ALA 87 CO 0.03 -0.17 1.13 -1.25 0.00 0.00 0.00 175.76 175.50 2bkc s PRO 88 N -1.13 2.21 -0.57 0.00 0.04 -1.26 -4.95 135.00 129.34 2bkc s PRO 88 Ca -0.12 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 2bkc s PRO 88 Cb -0.07 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2bkc s PRO 88 CO 0.01 -1.71 0.75 -0.47 0.04 0.00 0.00 177.00 175.61 2bkc s TYR 89 N -2.50 2.93 0.00 0.56 5.04 -1.26 -4.82 117.35 117.31 2bkc s TYR 89 Ca 0.67 -0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 54.59 2bkc s TYR 89 Cb -0.21 -3.92 -0.02 0.00 0.35 0.00 0.00 41.96 38.16 2bkc s TYR 89 CO 0.49 -1.29 -0.09 0.25 -1.34 0.00 0.00 175.55 173.58 2bkc n THR 90 N 5.70 0.95 -3.64 4.34 -2.24 -1.26 -5.00 114.28 113.12 2bkc n THR 90 Ca -0.06 0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 2bkc n THR 90 Cb 0.44 -1.66 -0.06 0.00 -2.10 0.00 0.00 70.33 66.95 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -1.94 3.91 0.64 -0.78 3.01 -1.26 -5.04 119.74 118.28 2bkc s LYS 91 Ca -0.07 0.10 -0.17 0.00 -1.01 0.00 0.00 55.97 54.82 2bkc s LYS 91 Cb 0.01 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.50 2bkc s LYS 91 CO 0.11 0.54 0.96 -2.30 0.51 0.00 0.00 175.35 175.16 2bkc n PRO 92 N 2.58 0.76 -4.23 -1.68 -0.02 -1.26 -5.03 135.00 126.12 2bkc n PRO 92 Ca -0.15 0.31 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 2bkc n PRO 92 Cb 0.53 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 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 -2.95 0.99 0.73 -0.52 -0.14 -1.26 -5.15 119.74 111.44 2bkc s LYS 93 Ca 0.76 -1.19 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 2bkc s LYS 93 Cb -0.39 -0.91 0.04 0.00 -1.68 0.00 0.00 37.83 34.89 2bkc s LYS 93 CO 0.47 0.18 1.10 0.95 -0.76 0.00 0.00 175.35 177.30 2bkc s THR 94 N -1.94 2.90 0.22 2.17 -4.23 -1.26 -4.86 115.64 108.64 2bkc s THR 94 Ca 0.07 0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 2bkc s THR 94 Cb -0.06 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 70.68 2bkc s THR 94 CO 0.03 -0.35 1.84 -0.03 -0.54 0.00 0.00 174.62 175.57 2bkc h MET 95 N -0.75 1.13 -0.91 3.99 4.05 -2.00 -1.90 114.93 118.53 2bkc h MET 95 Ca -0.45 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 58.84 2bkc h MET 95 Cb 1.28 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 2bkc h MET 95 CO 0.64 0.82 0.55 -0.44 0.23 0.00 0.00 176.91 178.71 2bkc h ASP 96 N 1.13 1.10 -0.82 1.39 5.19 -1.96 -0.11 116.42 122.33 2bkc h ASP 96 Ca 0.29 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2bkc h ASP 96 Cb 0.02 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.21 2bkc h ASP 96 CO -0.05 0.84 0.41 1.56 -3.12 0.00 0.00 179.24 178.89 2bkc h GLN 97 N 1.25 1.17 -0.27 3.56 4.20 -1.81 -1.80 115.11 121.41 2bkc h GLN 97 Ca 0.33 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2bkc h GLN 97 Cb -0.05 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2bkc h GLN 97 CO -0.06 0.89 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.79 2bkc h LEU 98 N 1.17 0.58 -1.54 1.46 3.38 -0.79 -2.34 115.31 117.23 2bkc h LEU 98 Ca 0.29 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2bkc h LEU 98 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2bkc h LEU 98 CO -0.04 0.86 -0.22 0.24 0.09 0.00 0.00 178.44 179.37 2bkc h MET 99 N 0.30 0.00 -0.05 1.13 2.86 -0.98 -1.97 114.93 116.22 2bkc h MET 99 Ca 0.06 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.47 2bkc h MET 99 Cb 0.64 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2bkc h MET 99 CO 0.04 0.22 -0.91 0.93 1.06 0.00 0.00 176.91 178.25 2bkc h GLU 100 N 0.00 0.60 -0.51 1.72 5.08 -1.11 -0.18 114.58 120.17 2bkc h GLU 100 Ca -0.00 -0.58 -0.07 0.00 -1.00 0.00 0.00 59.36 57.71 2bkc h GLU 100 Cb 0.52 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2bkc h GLU 100 CO 0.03 1.20 0.04 0.22 -1.00 0.00 0.00 179.01 179.49 2bkc h ASP 101 N 0.36 0.79 0.19 1.42 3.58 -1.24 0.29 116.42 121.81 2bkc h ASP 101 Ca -0.08 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2bkc h ASP 101 Cb 1.54 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.38 2bkc h ASP 101 CO 0.17 0.83 -0.09 0.25 -2.88 0.00 0.00 179.24 177.52 2bkc h LEU 102 N 0.78 -0.21 -0.60 2.28 6.46 -1.07 -1.09 115.31 121.86 2bkc h LEU 102 Ca 0.16 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 2bkc h LEU 102 Cb 0.41 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2bkc h LEU 102 CO 0.01 -0.04 0.11 0.58 -0.62 0.00 0.00 178.44 178.48 2bkc h VAL 103 N -0.37 1.26 -0.58 1.05 2.07 -0.98 -0.69 116.25 118.02 2bkc h VAL 103 Ca -0.03 -0.97 0.11 0.00 0.82 0.00 0.00 66.70 66.64 2bkc h VAL 103 Cb 0.29 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2bkc h VAL 103 CO 0.04 0.36 0.06 1.23 0.02 0.00 0.00 177.57 179.28 2bkc h GLY 104 N 0.89 0.67 1.76 2.17 0.00 -0.83 -0.40 103.07 107.34 2bkc h GLY 104 Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 2bkc h GLY 104 CO 0.01 -0.15 -0.39 -0.84 0.00 0.00 0.00 176.54 175.17 2bkc h THR 105 N 0.18 1.30 -0.58 4.70 2.02 -0.64 -2.67 112.91 117.22 2bkc h THR 105 Ca 0.30 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.93 2bkc h THR 105 Cb 0.47 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2bkc h THR 105 CO -0.44 0.44 0.03 -0.07 0.37 0.00 0.00 175.52 175.85 2bkc h LEU 106 N 0.22 0.94 -0.26 2.58 3.38 -0.57 -1.13 115.31 120.47 2bkc h LEU 106 Ca 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2bkc h LEU 106 Cb 0.79 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2bkc h LEU 106 CO 0.06 0.98 0.08 -0.33 0.09 0.00 0.00 178.44 179.33 2bkc h GLU 107 N 0.90 0.41 -0.77 1.13 5.08 -1.01 -0.48 114.58 119.85 2bkc h GLU 107 Ca 0.17 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 2bkc h GLU 107 Cb 0.48 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2bkc h GLU 107 CO 0.02 0.47 0.42 1.25 -1.00 0.00 0.00 179.01 180.18 2bkc h LEU 108 N 0.26 0.59 -0.11 1.33 6.46 -1.35 -0.12 115.31 122.38 2bkc h LEU 108 Ca 0.09 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 2bkc h LEU 108 Cb 0.23 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2bkc h LEU 108 CO -0.00 0.35 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.87 2bkc h LEU 109 N 0.72 0.38 -0.93 2.25 3.38 -1.05 -1.35 115.31 118.71 2bkc h LEU 109 Ca 0.37 -0.56 0.22 0.00 0.09 0.00 0.00 57.88 58.00 2bkc h LEU 109 Cb 0.33 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 2bkc h LEU 109 CO -0.24 0.87 0.48 -0.09 0.09 0.00 0.00 178.44 179.55 2bkc h ARG 110 N -0.09 0.49 0.22 1.13 2.43 -0.94 0.17 114.38 117.79 2bkc h ARG 110 Ca 0.00 -0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.82 2bkc h ARG 110 Cb 0.81 -0.11 0.03 0.00 -0.42 0.00 0.00 29.97 30.27 2bkc h ARG 110 CO 0.05 0.33 -1.48 -0.44 -1.51 0.00 0.00 179.97 176.91 2bkc h ASP 111 N 0.51 0.73 -0.45 -3.80 3.32 -0.82 -1.51 116.42 114.40 2bkc h ASP 111 Ca 0.58 -0.82 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2bkc h ASP 111 Cb 1.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2bkc h ASP 111 CO -0.48 1.65 0.03 -0.33 -1.72 0.00 0.00 179.24 178.39 2bkc h GLU 112 N 0.13 0.77 0.00 3.56 5.08 -1.12 -2.64 114.58 120.36 2bkc h GLU 112 Ca -0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2bkc h GLU 112 Cb 2.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 2bkc h GLU 112 CO 0.25 0.81 -0.08 1.88 -1.00 0.00 0.00 179.01 180.87 2bkc h TYR 113 N 0.62 0.00 -0.20 4.33 -1.99 -0.65 -1.77 116.97 117.32 2bkc h TYR 113 Ca 0.13 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 2bkc h TYR 113 Cb 0.44 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 2bkc h TYR 113 CO 0.03 0.08 -0.29 -0.22 -0.00 0.00 0.00 178.16 177.77 2bkc h LYS 114 N 0.00 0.39 -0.26 4.88 1.63 -0.90 -1.30 116.57 121.01 2bkc h LYS 114 Ca -0.00 -0.15 -0.20 0.00 -0.85 0.00 0.00 60.65 59.45 2bkc h LYS 114 Cb 0.16 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2bkc h LYS 114 CO 0.01 0.64 -0.60 1.96 -3.45 0.00 0.00 179.45 178.01 2bkc h GLN 115 N 0.34 0.86 -0.56 1.90 4.20 -1.24 -3.06 115.11 117.55 2bkc h GLN 115 Ca 0.05 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 2bkc h GLN 115 Cb 0.68 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2bkc h GLN 115 CO 0.05 1.21 0.20 0.78 -0.67 0.00 0.00 178.83 180.40 2bkc h GLY 116 N 0.64 0.88 1.03 3.46 0.00 -1.06 -1.41 103.07 106.61 2bkc h GLY 116 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2bkc h GLY 116 CO 0.13 0.43 0.24 -2.22 0.00 0.00 0.00 176.54 175.13 2bkc h ILE 117 N 0.80 1.25 -0.14 2.60 2.04 -1.22 -1.36 117.51 121.48 2bkc h ILE 117 Ca 0.19 -0.83 -0.17 0.00 1.00 0.00 0.00 64.86 65.05 2bkc h ILE 117 Cb 0.20 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2bkc h ILE 117 CO -0.01 0.33 -0.58 -0.33 0.00 0.00 0.00 178.15 177.55 2bkc h GLU 118 N 1.00 0.64 -0.95 2.37 5.08 -1.38 -2.04 114.58 119.30 2bkc h GLU 118 Ca 0.23 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2bkc h GLU 118 Cb 0.26 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2bkc h GLU 118 CO -0.01 1.12 0.63 1.25 -1.00 0.00 0.00 179.01 180.99 2bkc h LEU 119 N 0.30 1.07 -0.25 1.33 5.85 -1.21 -2.76 115.31 119.65 2bkc h LEU 119 Ca -0.03 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 2bkc h LEU 119 Cb 1.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2bkc h LEU 119 CO 0.12 0.77 -0.89 0.74 -0.34 0.00 0.00 178.44 178.84 2bkc h THR 120 N 1.27 1.58 -0.12 1.05 2.02 -1.19 -2.02 112.91 115.49 2bkc h THR 120 Ca 0.35 -2.88 0.05 0.00 0.77 0.00 0.00 66.41 64.70 2bkc h THR 120 Cb -0.12 2.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 2bkc h THR 120 CO -0.08 0.83 -0.27 -0.78 0.37 0.00 0.00 175.52 175.59 2bkc h ASP 121 N 0.04 -0.82 0.36 4.18 3.58 -1.23 -1.55 116.42 120.98 2bkc h ASP 121 Ca -0.03 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 2bkc h ASP 121 Cb 1.55 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 2bkc h ASP 121 CO 0.12 -0.32 -0.55 0.11 -2.88 0.00 0.00 179.24 175.72 2bkc h LYS 122 N -0.34 0.20 -0.00 0.28 1.79 -1.36 -0.94 116.57 116.20 2bkc h LYS 122 Ca 0.10 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2bkc h LYS 122 Cb 0.49 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2bkc h LYS 122 CO -0.32 0.70 -0.05 -1.91 -1.08 0.00 0.00 179.45 176.80 2bkc n GLU 123 N -3.91 0.65 -1.94 3.15 2.13 -0.77 -4.93 120.64 115.02 2bkc n GLU 123 Ca -0.02 -0.11 -0.17 0.00 0.66 0.00 0.00 57.16 57.52 2bkc n GLU 123 Cb 0.58 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.75 2bkc n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bkc n GLY 124 N 1.24 0.61 3.50 8.31 0.00 -0.36 -4.95 105.19 113.54 2bkc n GLY 124 Ca 0.16 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.51 6.82 0.31 1.61 3.68 -0.61 -4.87 116.67 121.09 2bkc s ASP 125 Ca 0.00 -2.39 -0.00 0.00 2.13 0.00 0.00 52.55 52.28 2bkc s ASP 125 Cb 0.00 -2.46 0.49 0.00 -1.45 0.00 0.00 42.92 39.50 2bkc s ASP 125 CO 0.00 -1.03 1.93 0.44 0.13 0.00 0.00 175.17 176.64 2bkc h ASP 126 N 8.11 0.81 0.26 -0.34 3.32 -1.93 -2.50 116.42 124.15 2bkc h ASP 126 Ca 0.28 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2bkc h ASP 126 Cb 0.94 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2bkc h ASP 126 CO 1.27 0.66 -0.12 0.58 -1.72 0.00 0.00 179.24 179.91 2bkc h VAL 127 N 0.91 0.80 -0.83 -1.35 2.07 -1.96 -2.33 116.25 113.57 2bkc h VAL 127 Ca 0.23 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2bkc h VAL 127 Cb 0.04 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2bkc h VAL 127 CO -0.04 0.11 0.53 0.74 0.02 0.00 0.00 177.57 178.94 2bkc h THR 128 N -0.63 1.13 -0.53 2.57 2.02 -1.95 -2.34 112.91 113.19 2bkc h THR 128 Ca -0.04 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.84 2bkc h THR 128 Cb 0.45 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 2bkc h THR 128 CO 0.06 0.19 0.26 -1.13 0.37 0.00 0.00 175.52 175.26 2bkc h ASN 129 N 1.04 0.36 -0.28 4.18 -0.73 -1.39 -0.76 115.58 118.00 2bkc h ASN 129 Ca 0.33 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.48 2bkc h ASN 129 Cb 0.00 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2bkc h ASN 129 CO -0.11 0.24 -0.03 -0.78 -0.37 0.00 0.00 177.43 176.38 2bkc h ASP 130 N 0.50 0.52 -0.83 1.15 3.58 -1.23 -2.44 116.42 117.66 2bkc h ASP 130 Ca 0.24 -0.33 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2bkc h ASP 130 Cb 0.17 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2bkc h ASP 130 CO -0.18 0.73 0.55 -0.03 -2.88 0.00 0.00 179.24 177.43 2bkc h MET 131 N 0.29 1.00 -0.08 0.28 4.05 -1.02 -2.23 114.93 117.22 2bkc h MET 131 Ca 0.08 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.30 2bkc h MET 131 Cb 0.48 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2bkc h MET 131 CO 0.02 0.66 -0.56 -0.07 0.23 0.00 0.00 176.91 177.19 2bkc h LEU 132 N 1.03 0.26 -0.29 3.39 4.07 -0.96 -2.58 115.31 120.23 2bkc h LEU 132 Ca 0.33 -0.14 -0.18 0.00 0.08 0.00 0.00 57.88 57.97 2bkc h LEU 132 Cb 0.03 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2bkc h LEU 132 CO -0.10 0.77 -0.53 0.40 -1.08 0.00 0.00 178.44 177.90 2bkc h ILE 133 N 0.18 1.27 -0.69 1.22 2.04 -1.18 -2.30 117.51 118.05 2bkc h ILE 133 Ca -0.00 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.07 2bkc h ILE 133 Cb 1.04 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 2bkc h ILE 133 CO 0.09 0.56 0.14 0.00 0.00 0.00 0.00 178.15 178.94 2bkc h ALA 134 N 0.68 0.95 -0.69 1.87 0.00 -1.23 -1.55 119.26 119.29 2bkc h ALA 134 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2bkc h ALA 134 Cb 1.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2bkc h ALA 134 CO 0.12 0.66 0.35 0.74 0.00 0.00 0.00 179.25 181.13 2bkc h PHE 135 N 1.05 0.96 -0.30 0.00 0.05 -1.44 -3.06 116.94 114.18 2bkc h PHE 135 Ca 0.21 -0.03 -0.14 0.00 3.82 0.00 0.00 57.97 61.84 2bkc h PHE 135 Cb 0.40 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 2bkc h PHE 135 CO 0.03 0.68 -0.36 -0.22 -0.18 0.00 0.00 178.31 178.26 2bkc h LYS 136 N 0.97 0.78 -0.77 1.51 3.64 -0.85 -1.82 116.57 120.03 2bkc h LYS 136 Ca 0.24 -0.44 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2bkc h LYS 136 Cb 0.06 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2bkc h LYS 136 CO -0.04 1.07 0.51 0.00 -2.27 0.00 0.00 179.45 178.72 2bkc h ALA 137 N 0.71 1.68 0.02 5.00 0.00 -1.26 0.14 119.26 125.54 2bkc h ALA 137 Ca 0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2bkc h ALA 137 Cb 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2bkc h ALA 137 CO 0.09 0.19 -0.98 1.03 0.00 0.00 0.00 179.25 179.57 2bkc h SER 138 N 0.80 0.56 -0.44 0.00 0.87 -1.39 -2.77 113.55 111.18 2bkc h SER 138 Ca 0.34 -0.46 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 2bkc h SER 138 Cb 0.29 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2bkc h SER 138 CO -0.12 1.27 -0.19 0.40 -0.53 0.00 0.00 176.83 177.66 2bkc h ILE 139 N 0.23 1.27 -0.30 2.23 2.04 -0.67 -1.97 117.51 120.34 2bkc h ILE 139 Ca -0.09 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.47 2bkc h ILE 139 Cb 1.63 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 2bkc h ILE 139 CO 0.17 0.46 0.07 0.44 0.00 0.00 0.00 178.15 179.29 2bkc h ASP 140 N 0.82 0.04 -0.39 1.72 3.32 -0.79 -0.15 116.42 120.99 2bkc h ASP 140 Ca 0.11 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2bkc h ASP 140 Cb 0.75 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2bkc h ASP 140 CO 0.06 0.06 0.25 0.11 -1.72 0.00 0.00 179.24 177.99 2bkc h LYS 141 N 0.18 0.49 -0.42 3.56 6.56 -1.32 -1.93 116.57 123.69 2bkc h LYS 141 Ca 0.14 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.65 2bkc h LYS 141 Cb 0.14 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 2bkc h LYS 141 CO -0.17 0.32 0.07 0.45 -2.06 0.00 0.00 179.45 178.06 2bkc h HIS 142 N 0.50 0.65 -0.51 -1.35 3.86 -1.12 -1.50 115.15 115.68 2bkc h HIS 142 Ca 0.15 -0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 2bkc h HIS 142 Cb -0.03 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2bkc h HIS 142 CO -0.06 0.58 -0.12 0.82 0.86 0.00 0.00 177.93 180.01 2bkc h ILE 143 N 0.61 1.27 -0.28 2.45 2.04 -0.81 -1.64 117.51 121.14 2bkc h ILE 143 Ca 0.14 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 2bkc h ILE 143 Cb 0.28 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2bkc h ILE 143 CO 0.00 0.44 0.09 -0.25 0.00 0.00 0.00 178.15 178.43 2bkc h TRP 144 N 0.86 0.45 -0.23 1.37 7.01 -0.53 -1.94 115.95 122.95 2bkc h TRP 144 Ca 0.13 -0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.95 2bkc h TRP 144 Cb 0.67 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2bkc h TRP 144 CO 0.04 0.48 -0.42 0.52 -2.79 0.00 0.00 178.44 176.27 2bkc h MET 145 N 0.30 0.69 -0.14 2.65 2.86 -1.26 -0.17 114.93 119.86 2bkc h MET 145 Ca 0.09 -0.43 -0.13 0.00 -2.06 0.00 0.00 59.70 57.17 2bkc h MET 145 Cb 0.24 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2bkc h MET 145 CO -0.00 1.05 -0.47 0.74 1.06 0.00 0.00 176.91 179.29 2bkc h PHE 146 N 0.40 0.43 -0.23 -0.22 -1.00 -1.37 -1.02 116.94 113.93 2bkc h PHE 146 Ca 0.01 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.61 2bkc h PHE 146 Cb 1.02 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 2bkc h PHE 146 CO 0.08 0.76 -0.05 0.87 -1.61 0.00 0.00 178.31 178.36 2bkc h LYS 147 N 0.28 0.44 -0.94 1.51 1.79 -1.22 -2.53 116.57 115.90 2bkc h LYS 147 Ca 0.02 -0.17 0.14 0.00 -2.18 0.00 0.00 60.65 58.46 2bkc h LYS 147 Cb 0.94 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.49 2bkc h LYS 147 CO 0.08 0.67 0.60 0.00 -1.08 0.00 0.00 179.45 179.72 2bkc h ALA 148 N 0.75 1.73 -0.62 3.86 0.00 -0.79 -0.61 119.26 123.59 2bkc h ALA 148 Ca 0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2bkc h ALA 148 Cb 0.51 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2bkc h ALA 148 CO 0.02 0.01 0.32 0.35 0.00 0.00 0.00 179.25 179.95 2bkc h PHE 149 N 0.79 0.59 0.00 0.00 3.57 -0.78 -1.91 116.94 119.20 2bkc h PHE 149 Ca 0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2bkc h PHE 149 Cb 0.69 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2bkc h PHE 149 CO -0.00 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.62 2bkc n LEU 150 N -4.84 0.00 0.00 0.59 4.77 -0.34 -4.90 117.00 112.28 2bkc n LEU 150 Ca 0.08 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2bkc n LEU 150 Cb 0.18 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2bkc n LEU 150 CO 0.28 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2bkc n GLY 151 N 0.97 0.74 3.30 -0.72 0.00 -0.72 -5.07 105.19 103.68 2bkc n GLY 151 Ca 0.19 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.82 1.15 0.84 1.61 1.02 -0.60 -4.99 119.74 117.96 2bkc s LYS 152 Ca 0.00 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 54.69 2bkc s LYS 152 Cb 0.00 -1.42 0.10 0.00 -0.52 0.00 0.00 37.83 35.99 2bkc s LYS 152 CO 0.00 0.33 1.12 0.00 -0.92 0.00 0.00 175.35 175.88 2bkc s ALA 153 N -1.21 1.87 0.28 5.17 0.00 -1.26 -2.66 121.76 123.94 2bkc s ALA 153 Ca 0.08 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2bkc s ALA 153 Cb -0.10 -3.37 0.40 0.00 0.00 0.00 0.00 23.12 20.06 2bkc s ALA 153 CO 0.05 -2.26 1.73 -1.35 0.00 0.00 0.00 175.76 173.93 2bkc h PRO 154 N -1.46 0.54 -0.43 0.00 0.11 -1.87 -3.12 132.00 125.77 2bkc h PRO 154 Ca -0.43 -0.19 -0.16 0.00 0.11 0.00 0.00 66.00 65.33 2bkc h PRO 154 Cb 1.25 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2bkc h PRO 154 CO 0.46 0.71 0.06 1.28 -0.21 0.00 0.00 178.00 180.30 2bkc n LEU 155 N -4.14 4.52 -0.15 2.35 4.77 -1.26 -4.87 117.00 118.22 2bkc n LEU 155 Ca 0.00 -3.47 0.15 0.00 -0.03 0.00 0.00 56.01 52.67 2bkc n LEU 155 Cb 0.38 -0.64 0.82 0.00 -2.33 0.00 0.00 43.42 41.65 2bkc n LEU 155 CO 0.42 1.01 1.04 1.21 -1.33 0.00 0.00 177.39 179.73