#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcq s LYS 2 N 0.00 4.17 0.07 2.12 3.01 0.40 -2.35 119.74 127.15 2kcq s LYS 2 Ca 0.00 0.09 -0.24 0.00 -1.01 0.00 0.00 55.97 54.81 2kcq s LYS 2 Cb 0.00 -3.52 0.06 0.00 -1.01 0.00 0.00 37.83 33.36 2kcq s LYS 2 CO 0.00 0.02 0.58 -0.08 0.51 0.00 0.00 175.35 176.38 2kcq s THR 3 N 1.13 0.01 0.47 2.17 -1.32 -0.43 -0.76 115.64 116.92 2kcq s THR 3 Ca 0.16 -0.11 -0.13 0.00 -1.21 0.00 0.00 61.69 60.40 2kcq s THR 3 Cb -0.14 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.78 2kcq s THR 3 CO 0.07 -0.06 0.89 0.42 -2.21 0.00 0.00 174.62 173.72 2kcq s THR 4 N -2.64 4.66 0.51 5.08 -4.23 -1.26 -3.95 115.64 113.81 2kcq s THR 4 Ca -0.04 0.92 0.17 0.00 -1.18 0.00 0.00 61.69 61.56 2kcq s THR 4 Cb -0.01 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.36 2kcq s THR 4 CO -0.03 -0.64 2.13 1.55 -0.54 0.00 0.00 174.62 177.09 2kcq h PRO 5 N 1.00 0.00 -0.07 3.99 0.13 -1.98 0.02 132.00 135.09 2kcq h PRO 5 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kcq h PRO 5 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kcq h PRO 5 CO 0.63 0.03 0.04 0.22 -0.23 0.00 0.00 178.00 178.68 2kcq h ASP 6 N 0.00 0.09 -0.46 1.44 3.58 -1.99 0.19 116.42 119.28 2kcq h ASP 6 Ca -0.00 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 2kcq h ASP 6 Cb 0.05 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2kcq h ASP 6 CO 0.00 0.16 -0.01 0.40 -2.88 0.00 0.00 179.24 176.91 2kcq h ILE 7 N 0.02 1.26 -0.68 2.25 1.08 -1.75 -1.20 117.51 118.50 2kcq h ILE 7 Ca 0.03 -1.08 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 2kcq h ILE 7 Cb 0.09 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 2kcq h ILE 7 CO -0.00 0.37 0.39 -0.07 -0.69 0.00 0.00 178.15 178.15 2kcq h LEU 8 N 0.67 0.60 -0.51 1.44 3.38 -0.88 0.23 115.31 120.24 2kcq h LEU 8 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2kcq h LEU 8 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2kcq h LEU 8 CO 0.03 0.39 0.24 -0.78 0.09 0.00 0.00 178.44 178.41 2kcq h ASP 9 N 0.73 0.67 -0.44 -0.43 3.58 -0.37 -1.85 116.42 118.32 2kcq h ASP 9 Ca 0.30 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2kcq h ASP 9 Cb 0.16 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2kcq h ASP 9 CO -0.17 0.62 0.25 1.56 -2.88 0.00 0.00 179.24 178.63 2kcq h GLN 10 N 0.68 0.62 -0.58 0.28 4.20 -0.45 0.24 115.11 120.10 2kcq h GLN 10 Ca 0.17 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2kcq h GLN 10 Cb 0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2kcq h GLN 10 CO -0.02 0.46 0.07 0.82 -0.67 0.00 0.00 178.83 179.48 2kcq h ILE 11 N 0.63 1.26 -0.03 2.54 2.04 -0.45 0.14 117.51 123.64 2kcq h ILE 11 Ca 0.16 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2kcq h ILE 11 Cb 0.01 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2kcq h ILE 11 CO -0.03 0.37 0.00 -0.09 0.00 0.00 0.00 178.15 178.41 2kcq h ARG 12 N 0.87 0.05 -0.64 2.37 2.43 -0.48 -2.85 114.38 116.12 2kcq h ARG 12 Ca 0.17 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2kcq h ARG 12 Cb 0.45 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2kcq h ARG 12 CO 0.02 0.30 0.43 0.28 -1.51 0.00 0.00 179.97 179.48 2kcq h VAL 13 N -0.20 1.04 -0.63 0.20 2.07 -0.48 -1.03 116.25 117.23 2kcq h VAL 13 Ca 0.01 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.47 2kcq h VAL 13 Cb 0.27 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2kcq h VAL 13 CO 0.00 0.13 0.45 -0.74 0.02 0.00 0.00 177.57 177.43 2kcq h HIS 14 N 0.70 0.00 -0.02 1.57 -0.00 -0.47 0.24 115.15 117.17 2kcq h HIS 14 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2kcq h HIS 14 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2kcq h HIS 14 CO -0.00 0.00 0.01 0.78 -0.00 0.00 0.00 177.93 178.72 2kcq h GLY 15 N 0.00 0.02 1.15 5.26 0.00 -1.17 0.13 103.07 108.47 2kcq h GLY 15 Ca 0.30 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 47.37 2kcq h GLY 15 CO -0.00 0.01 -0.99 0.00 0.00 0.00 0.00 176.54 175.56 2kcq h ALA 16 N 0.97 0.12 -0.52 3.60 0.00 -1.46 -3.16 119.26 118.80 2kcq h ALA 16 Ca 0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 2kcq h ALA 16 Cb 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kcq h ALA 16 CO -0.00 0.64 -0.05 0.22 0.00 0.00 0.00 179.25 180.06 2kcq h ASP 17 N 0.33 0.92 0.38 0.00 3.58 -0.44 -3.12 116.42 118.07 2kcq h ASP 17 Ca -0.12 -0.27 -0.32 0.00 0.42 0.00 0.00 57.03 56.74 2kcq h ASP 17 Cb 1.65 -0.25 0.02 0.00 1.72 0.00 0.00 39.33 42.48 2kcq h ASP 17 CO 0.19 1.00 -1.44 0.00 -2.88 0.00 0.00 179.24 176.12 2kcq h ALA 18 N 1.08 -0.03 -2.64 -0.78 0.00 -0.88 -3.47 119.26 112.54 2kcq h ALA 18 Ca 0.15 -0.91 -0.51 0.00 0.00 0.00 0.00 54.91 53.64 2kcq h ALA 18 Cb 0.57 0.16 0.07 0.00 0.00 0.00 0.00 17.79 18.60 2kcq h ALA 18 CO 0.03 0.83 0.45 0.71 0.00 0.00 0.00 179.25 181.28 2kcq s TYR 19 N -2.62 2.69 -1.80 0.00 1.51 -1.18 -0.84 117.35 115.12 2kcq s TYR 19 Ca -0.08 1.54 0.31 0.00 -1.01 0.00 0.00 57.07 57.83 2kcq s TYR 19 Cb 0.05 -3.33 1.76 0.00 -0.11 0.00 0.00 41.96 40.33 2kcq s TYR 19 CO 0.92 -1.62 2.16 -2.30 -1.11 0.00 0.00 175.55 173.59 2kcq n PRO 20 N -1.13 0.80 0.00 -1.71 -0.02 -1.26 -4.94 135.00 126.73 2kcq n PRO 20 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2kcq n PRO 20 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2kcq n PRO 20 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 21 N -1.10 -0.37 -1.70 -0.52 -0.58 -0.02 -4.88 120.64 111.48 2kcq n GLU 21 Ca 0.20 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.51 2kcq n GLU 21 Cb 0.15 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.99 2kcq n GLU 21 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2kcq n GLU 22 N -0.96 2.56 0.00 3.49 4.07 -1.26 -4.89 120.64 123.65 2kcq n GLU 22 Ca 0.00 0.92 0.06 0.00 -0.06 0.00 0.00 57.16 58.09 2kcq n GLU 22 Cb 0.00 -2.75 0.02 0.00 -0.06 0.00 0.00 31.44 28.65 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kcq n GLY 23 N 3.80 -0.11 3.94 8.31 0.00 -1.26 -4.65 105.19 115.22 2kcq n GLY 23 Ca 0.16 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2kcq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq n GLY 25 N -2.04 0.27 3.30 0.00 0.00 -0.78 -3.01 105.19 102.92 2kcq n GLY 25 Ca -0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2kcq n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcq s PHE 26 N -2.05 1.91 -0.26 1.61 0.08 -0.42 -2.02 117.98 116.84 2kcq s PHE 26 Ca 0.14 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 2kcq s PHE 26 Cb -0.00 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2kcq s PHE 26 CO -0.01 0.21 0.40 -0.51 -0.10 0.00 0.00 175.22 175.21 2kcq s LEU 27 N -1.79 4.05 -0.16 -0.37 1.43 0.61 -1.97 118.68 120.49 2kcq s LEU 27 Ca 0.08 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 2kcq s LEU 27 Cb -0.10 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2kcq s LEU 27 CO 0.04 -0.19 0.03 -0.76 0.23 0.00 0.00 176.35 175.70 2kcq s LEU 28 N 2.03 3.68 0.00 1.79 1.43 -0.47 -1.48 118.68 125.66 2kcq s LEU 28 Ca 0.17 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2kcq s LEU 28 Cb -0.16 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2kcq s LEU 28 CO 0.09 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.51 2kcq n GLY 29 N 3.21 1.58 3.17 -3.19 0.00 -0.66 -0.60 105.19 108.69 2kcq n GLY 29 Ca -0.17 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 2kcq n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcq s THR 30 N -1.55 0.67 -0.31 2.61 2.01 -0.61 -1.87 115.64 116.59 2kcq s THR 30 Ca 0.00 -1.93 -0.13 0.00 0.31 0.00 0.00 61.69 59.94 2kcq s THR 30 Cb 0.00 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 2kcq s THR 30 CO 0.00 -0.88 0.28 -0.69 -0.69 0.00 0.00 174.62 172.64 2kcq s VAL 31 N -3.64 5.24 -0.44 3.82 1.01 -1.26 0.00 120.40 125.13 2kcq s VAL 31 Ca 0.12 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 2kcq s VAL 31 Cb 0.05 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2kcq s VAL 31 CO -0.05 0.08 1.07 -0.89 0.00 0.00 0.00 175.10 175.30 2kcq s THR 32 N 1.88 4.34 0.00 3.92 2.01 0.16 -3.54 115.64 124.41 2kcq s THR 32 Ca 0.09 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2kcq s THR 32 Cb -0.16 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 67.82 2kcq s THR 32 CO 0.11 -0.86 0.00 -0.67 -0.69 0.00 0.00 174.62 172.51 2kcq n ASP 33 N 7.47 -3.70 -0.90 3.53 2.03 -1.26 -1.29 116.55 122.43 2kcq n ASP 33 Ca 0.10 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.30 2kcq n ASP 33 Cb 0.49 -2.51 -0.05 0.00 -0.72 0.00 0.00 41.12 38.32 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcq n ASP 34 N -0.53 -4.97 -0.11 1.67 2.03 -1.23 -4.85 116.55 108.56 2kcq n ASP 34 Ca 0.00 0.29 -0.22 0.00 0.52 0.00 0.00 54.79 55.38 2kcq n ASP 34 Cb 0.27 -3.50 -0.12 0.00 -0.72 0.00 0.00 41.12 37.05 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 35 N -0.80 -0.43 3.18 0.27 0.00 -0.41 -5.03 105.19 101.97 2kcq n GLY 35 Ca -0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2kcq n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kcq s ASP 36 N -6.84 0.14 0.02 1.61 2.15 -1.09 -5.02 116.67 107.64 2kcq s ASP 36 Ca -0.34 -0.60 -0.00 0.00 0.43 0.00 0.00 52.55 52.03 2kcq s ASP 36 Cb 0.10 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.98 2kcq s ASP 36 CO 0.60 -0.65 0.13 0.54 -0.17 0.00 0.00 175.17 175.61 2kcq s ASN 37 N -2.61 5.93 0.08 -0.34 2.20 -1.26 0.41 114.94 119.35 2kcq s ASN 37 Ca 0.02 0.19 0.08 0.00 -0.94 0.00 0.00 52.86 52.21 2kcq s ASN 37 Cb 0.03 -1.75 -0.04 0.00 -2.00 0.00 0.00 41.25 37.50 2kcq s ASN 37 CO -0.09 0.23 -0.19 0.00 -2.94 0.00 0.00 177.10 174.12 2kcq s ARG 38 N -2.04 1.89 -0.16 3.55 1.70 0.10 -0.45 118.95 123.54 2kcq s ARG 38 Ca 0.27 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.31 2kcq s ARG 38 Cb -0.12 -2.13 -0.05 0.00 -0.57 0.00 0.00 34.95 32.08 2kcq s ARG 38 CO 0.19 0.51 0.23 0.08 -1.08 0.00 0.00 175.30 175.23 2kcq s VAL 39 N -1.03 5.34 -0.00 4.99 1.01 0.06 -1.57 120.40 129.20 2kcq s VAL 39 Ca 0.16 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2kcq s VAL 39 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2kcq s VAL 39 CO 0.07 0.43 0.01 0.00 0.00 0.00 0.00 175.10 175.62 2kcq n ALA 40 N 3.37 2.02 -3.35 5.51 0.00 0.23 -4.69 120.51 123.60 2kcq n ALA 40 Ca -0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2kcq n ALA 40 Cb 0.52 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 2kcq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcq s ALA 41 N -2.05 -1.14 -0.18 0.00 0.00 -0.07 -4.22 121.76 114.10 2kcq s ALA 41 Ca -0.00 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 2kcq s ALA 41 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2kcq s ALA 41 CO 0.04 -0.26 0.11 -0.51 0.00 0.00 0.00 175.76 175.13 2kcq s LEU 42 N -0.55 4.11 -0.17 0.00 1.43 -1.26 -1.37 118.68 120.86 2kcq s LEU 42 Ca -0.07 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2kcq s LEU 42 Cb -0.03 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 42 CO 0.04 0.22 -0.18 -2.28 0.23 0.00 0.00 176.35 174.38 2kcq s HIS 43 N 0.09 2.77 0.06 0.29 2.46 -0.83 -4.97 115.29 115.16 2kcq s HIS 43 Ca 0.08 -1.38 -0.19 0.00 0.47 0.00 0.00 55.06 54.04 2kcq s HIS 43 Cb -0.12 -1.91 -0.07 0.00 -0.13 0.00 0.00 32.58 30.36 2kcq s HIS 43 CO -0.00 -0.67 0.55 1.03 -2.47 0.00 0.00 174.74 173.18 2kcq s ARG 44 N 1.11 4.17 -0.42 2.88 3.00 -1.26 -1.30 118.95 127.14 2kcq s ARG 44 Ca 0.00 0.70 -0.27 0.00 0.00 0.00 0.00 55.73 56.16 2kcq s ARG 44 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 34.95 31.53 2kcq s ARG 44 CO -0.07 0.64 2.05 0.00 0.00 0.00 0.00 175.30 177.92 2kcq s ALA 45 N -1.08 2.36 0.38 2.13 0.00 -1.17 -4.88 121.76 119.50 2kcq s ALA 45 Ca 0.28 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 2kcq s ALA 45 Cb -0.19 -4.18 0.05 0.00 0.00 0.00 0.00 23.12 18.80 2kcq s ALA 45 CO 0.18 -3.43 0.76 -0.08 0.00 0.00 0.00 175.76 173.19 2kcq s THR 46 N 9.04 0.00 0.62 0.00 -1.32 -1.26 -4.91 115.64 117.81 2kcq s THR 46 Ca 0.85 -1.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.20 2kcq s THR 46 Cb -0.21 -2.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.98 2kcq s THR 46 CO 0.29 0.00 0.95 0.54 -2.21 0.00 0.00 174.62 174.19 2kcq s ASN 47 N -3.08 5.52 0.11 8.08 4.22 -1.26 -4.84 114.94 123.69 2kcq s ASN 47 Ca 0.17 0.80 0.00 0.00 -2.14 0.00 0.00 52.86 51.69 2kcq s ASN 47 Cb -0.05 -1.73 0.00 0.00 1.28 0.00 0.00 41.25 40.75 2kcq s ASN 47 CO 0.12 -1.16 0.00 -1.14 -2.04 0.00 0.00 177.10 172.88 2kcq n ARG 48 N -2.70 0.00 -2.58 3.55 3.00 -1.26 -5.12 116.66 111.55 2kcq n ARG 48 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.88 2kcq n ARG 48 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2kcq n ARG 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kcq n ARG 49 N -2.79 -2.78 -2.91 -0.14 0.63 -1.26 -4.96 116.66 102.44 2kcq n ARG 49 Ca 0.00 2.34 -0.41 0.00 -0.92 0.00 0.00 57.85 58.86 2kcq n ARG 49 Cb 0.00 -4.88 -0.04 0.00 0.45 0.00 0.00 32.46 27.99 2kcq n ARG 49 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2kcq s SER 50 N -1.67 7.05 -0.48 6.15 0.01 -1.26 -5.02 113.70 118.48 2kcq s SER 50 Ca 0.06 1.28 -0.13 0.00 1.31 0.00 0.00 55.95 58.46 2kcq s SER 50 Cb -0.02 -2.46 0.10 0.00 0.21 0.00 0.00 66.02 63.85 2kcq s SER 50 CO 0.67 -0.26 0.39 -0.70 0.41 0.00 0.00 173.24 173.75 2kcq s GLU 51 N 1.40 2.84 -0.28 12.44 -6.30 -1.26 -4.82 118.70 122.71 2kcq s GLU 51 Ca 0.41 -1.52 0.01 0.00 -2.50 0.00 0.00 54.97 51.36 2kcq s GLU 51 Cb -0.18 -4.08 0.15 0.00 0.00 0.00 0.00 34.13 30.03 2kcq s GLU 51 CO 0.18 -1.12 0.41 -1.14 0.02 0.00 0.00 175.26 173.61 2kcq s GLN 52 N 1.55 0.40 -0.54 4.30 0.74 -1.26 -5.10 119.66 119.75 2kcq s GLN 52 Ca 0.04 0.29 -0.26 0.00 0.05 0.00 0.00 55.36 55.47 2kcq s GLN 52 Cb -0.26 -0.31 -0.09 0.00 1.10 0.00 0.00 33.01 33.45 2kcq s GLN 52 CO 0.04 -0.91 2.45 -2.13 -0.55 0.00 0.00 175.29 174.19 2kcq n ARG 53 N 5.36 0.93 -1.65 1.67 0.63 -1.26 -4.86 116.66 117.48 2kcq n ARG 53 Ca -0.01 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2kcq n ARG 53 Cb 0.50 -3.26 0.00 0.00 0.45 0.00 0.00 32.46 30.15 2kcq n ARG 53 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2kcq n THR 54 N 7.96 0.00 -1.55 5.15 -1.04 -1.26 -5.07 114.28 118.47 2kcq n THR 54 Ca 0.40 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 62.01 2kcq n THR 54 Cb 0.50 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.96 2kcq n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2kcq n ARG 55 N 0.00 1.20 -1.31 -2.82 3.00 -1.26 -4.54 116.66 110.93 2kcq n ARG 55 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 2kcq n ARG 55 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 29.30 2kcq n ARG 55 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2kcq n ARG 56 N 8.84 -3.46 -3.18 -0.14 1.85 -1.26 -4.83 116.66 114.47 2kcq n ARG 56 Ca 0.38 2.68 -0.41 0.00 -1.00 0.00 0.00 57.85 59.49 2kcq n ARG 56 Cb 0.45 -3.33 -0.07 0.00 -1.05 0.00 0.00 32.46 28.46 2kcq n ARG 56 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kcq s TYR 57 N -5.10 3.17 -0.44 2.89 1.13 -1.26 -4.99 117.35 112.75 2kcq s TYR 57 Ca 0.00 0.26 0.02 0.00 -1.41 0.00 0.00 57.07 55.94 2kcq s TYR 57 Cb 0.00 -3.01 0.15 0.00 -1.10 0.00 0.00 41.96 37.99 2kcq s TYR 57 CO 0.00 -0.57 0.28 -1.83 -2.51 0.00 0.00 175.55 170.91 2kcq s GLU 58 N 2.53 1.17 -0.03 -3.49 -1.05 -1.26 -4.94 118.70 111.62 2kcq s GLU 58 Ca 0.21 -2.01 0.06 0.00 -0.15 0.00 0.00 54.97 53.08 2kcq s GLU 58 Cb -0.15 -2.03 0.15 0.00 -0.44 0.00 0.00 34.13 31.66 2kcq s GLU 58 CO 0.14 -1.23 1.11 1.47 0.95 0.00 0.00 175.26 177.70 2kcq n LEU 59 N 3.36 2.41 -4.55 1.83 -0.00 -1.26 -4.95 117.00 113.84 2kcq n LEU 59 Ca 0.15 -2.20 -0.40 0.00 -0.00 0.00 0.00 56.01 53.56 2kcq n LEU 59 Cb 0.38 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.62 2kcq n LEU 59 CO 0.19 0.60 1.43 -0.89 -0.00 0.00 0.00 177.39 178.72 2kcq s THR 60 N -1.35 3.51 -1.06 1.47 2.01 -1.26 -4.33 115.64 114.64 2kcq s THR 60 Ca 0.13 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 2kcq s THR 60 Cb 0.09 -4.34 0.05 0.00 0.01 0.00 0.00 72.50 68.31 2kcq s THR 60 CO 0.05 -1.29 1.51 0.00 -0.69 0.00 0.00 174.62 174.20 2kcq s ALA 61 N 7.67 2.76 -0.53 7.40 0.00 -1.26 -4.66 121.76 133.14 2kcq s ALA 61 Ca 0.54 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 2kcq s ALA 61 Cb -0.11 -4.55 0.14 0.00 0.00 0.00 0.00 23.12 18.60 2kcq s ALA 61 CO 0.19 -3.62 0.32 0.34 0.00 0.00 0.00 175.76 172.99 2kcq s ASP 62 N 4.97 5.12 0.00 0.00 2.15 -1.26 -4.73 116.67 122.91 2kcq s ASP 62 Ca 0.48 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2kcq s ASP 62 Cb 0.00 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 2kcq s ASP 62 CO -0.07 -0.41 0.00 0.47 -0.17 0.00 0.00 175.17 174.99 2kcq n ASP 63 N 3.84 0.00 -0.20 -0.34 9.92 -1.26 -0.43 116.55 128.09 2kcq n ASP 63 Ca 0.04 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.23 2kcq n ASP 63 Cb 0.39 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.89 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2kcq h TYR 64 N 0.00 0.81 -0.37 1.24 3.20 -1.98 -1.09 116.97 118.78 2kcq h TYR 64 Ca 0.00 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2kcq h TYR 64 Cb 0.00 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2kcq h TYR 64 CO 0.00 0.63 -0.10 0.00 -1.64 0.00 0.00 178.16 177.04 2kcq h ARG 65 N 0.76 0.63 -0.35 1.82 2.47 -1.08 0.26 114.38 118.91 2kcq h ARG 65 Ca 0.19 -0.19 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 2kcq h ARG 65 Cb 0.12 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2kcq h ARG 65 CO -0.02 0.73 -0.25 0.00 0.56 0.00 0.00 179.97 180.98 2kcq h ALA 66 N 1.31 0.90 -0.37 0.04 0.00 -1.53 0.12 119.26 119.74 2kcq h ALA 66 Ca 0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2kcq h ALA 66 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kcq h ALA 66 CO 0.03 0.62 -0.28 0.00 0.00 0.00 0.00 179.25 179.62 2kcq h ALA 67 N 1.11 0.53 -0.31 0.00 0.00 -0.87 -2.90 119.26 116.82 2kcq h ALA 67 Ca 0.08 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kcq h ALA 67 Cb 0.75 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2kcq h ALA 67 CO 0.06 0.55 0.02 0.22 0.00 0.00 0.00 179.25 180.10 2kcq h ASP 68 N 0.64 -0.07 0.34 0.00 1.82 -0.03 0.31 116.42 119.43 2kcq h ASP 68 Ca 0.07 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 2kcq h ASP 68 Cb 0.86 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2kcq h ASP 68 CO 0.07 -0.00 -0.18 0.00 -1.61 0.00 0.00 179.24 177.53 2kcq h ALA 69 N 1.25 -0.48 -0.21 -0.78 0.00 -0.80 -0.31 119.26 117.93 2kcq h ALA 69 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kcq h ALA 69 Cb 0.18 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kcq h ALA 69 CO -0.23 -0.77 -0.05 0.00 0.00 0.00 0.00 179.25 178.21 2kcq h ALA 70 N 0.18 1.54 0.11 0.00 0.00 -1.30 -0.90 119.26 118.88 2kcq h ALA 70 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kcq h ALA 70 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kcq h ALA 70 CO 0.07 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2kcq h ALA 71 N 1.65 -0.14 -0.11 0.00 0.00 -0.05 -2.13 119.26 118.49 2kcq h ALA 71 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2kcq h ALA 71 Cb 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kcq h ALA 71 CO 0.01 -0.44 -0.23 -0.56 0.00 0.00 0.00 179.25 178.03 2kcq h GLN 72 N -0.42 0.18 -0.68 0.00 3.07 -0.78 0.52 115.11 117.00 2kcq h GLN 72 Ca -0.01 -0.05 0.04 0.00 0.09 0.00 0.00 58.65 58.71 2kcq h GLN 72 Cb 0.34 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 27.84 2kcq h GLN 72 CO 0.02 0.41 0.41 0.93 0.09 0.00 0.00 178.83 180.69 2kcq h GLU 73 N 0.17 0.76 -0.00 0.06 5.08 -1.09 -2.69 114.58 116.86 2kcq h GLU 73 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kcq h GLU 73 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kcq h GLU 73 CO 0.03 0.50 -0.38 1.04 -1.00 0.00 0.00 179.01 179.21 2kcq n GLN 74 N -4.72 0.08 -1.82 2.33 6.02 -0.60 -4.93 117.38 113.75 2kcq n GLN 74 Ca 0.08 -0.04 -0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2kcq n GLN 74 Cb 0.12 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.88 2kcq n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kcq n GLY 75 N 1.48 0.36 3.76 1.08 0.00 0.67 -4.69 105.19 107.85 2kcq n GLY 75 Ca 0.07 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 2kcq n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcq s LEU 76 N -0.11 2.21 0.00 0.99 1.43 0.15 -4.97 118.68 118.37 2kcq s LEU 76 Ca 0.00 -1.69 0.06 0.00 -1.03 0.00 0.00 54.13 51.48 2kcq s LEU 76 Cb 0.00 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 2kcq s LEU 76 CO 0.00 -0.90 0.32 -0.90 0.23 0.00 0.00 176.35 175.10 2kcq n ASP 77 N -1.30 -0.83 -4.57 2.29 5.68 -0.78 -3.68 116.55 113.36 2kcq n ASP 77 Ca -0.20 -3.18 -0.43 0.00 -0.50 0.00 0.00 54.79 50.49 2kcq n ASP 77 Cb 0.67 1.84 -0.03 0.00 -1.14 0.00 0.00 41.12 42.46 2kcq n ASP 77 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2kcq s VAL 78 N -3.29 4.16 -0.14 2.12 1.01 -1.26 -1.66 120.40 121.34 2kcq s VAL 78 Ca 0.39 0.79 0.20 0.00 0.00 0.00 0.00 61.98 63.36 2kcq s VAL 78 Cb 0.02 -4.65 -0.16 0.00 0.00 0.00 0.00 36.38 31.59 2kcq s VAL 78 CO 0.27 -1.21 0.73 1.33 0.00 0.00 0.00 175.10 176.22 2kcq n VAL 79 N 6.57 0.77 -3.84 2.92 0.24 -0.55 -4.99 118.33 119.45 2kcq n VAL 79 Ca 0.07 -0.62 -0.05 0.00 -2.04 0.00 0.00 64.34 61.70 2kcq n VAL 79 Cb 0.49 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.45 2kcq n VAL 79 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kcq s GLY 80 N -4.68 0.12 0.08 7.63 0.00 -1.21 -2.15 107.32 107.12 2kcq s GLY 80 Ca -0.04 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.32 2kcq s GLY 80 CO 0.83 1.27 -0.07 0.14 0.00 0.00 0.00 173.10 175.27 2kcq s VAL 81 N -2.42 0.68 -0.00 1.40 1.01 -0.16 -0.29 120.40 120.62 2kcq s VAL 81 Ca 0.18 -1.66 -0.00 0.00 0.00 0.00 0.00 61.98 60.50 2kcq s VAL 81 Cb -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2kcq s VAL 81 CO 0.07 -0.70 0.00 -0.72 0.00 0.00 0.00 175.10 173.75 2kcq s TYR 82 N -2.86 0.00 -0.11 5.22 -0.85 -0.86 -1.10 117.35 116.79 2kcq s TYR 82 Ca 0.05 0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.55 2kcq s TYR 82 Cb 0.00 -0.02 0.05 0.00 0.38 0.00 0.00 41.96 42.37 2kcq s TYR 82 CO -0.03 -0.01 0.28 -3.38 -1.52 0.00 0.00 175.55 170.89 2kcq s HIS 83 N 0.09 -0.37 0.08 -3.49 -3.43 -1.00 -1.87 115.29 105.30 2kcq s HIS 83 Ca -0.01 0.86 0.03 0.00 -0.80 0.00 0.00 55.06 55.14 2kcq s HIS 83 Cb -0.01 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2kcq s HIS 83 CO -0.00 -0.24 0.06 -1.54 -2.00 0.00 0.00 174.74 171.02 2kcq s SER 84 N 1.10 5.39 -0.20 7.38 1.04 -1.26 -3.93 113.70 123.22 2kcq s SER 84 Ca -0.08 -0.05 -0.27 0.00 0.48 0.00 0.00 55.95 56.03 2kcq s SER 84 Cb -0.09 -1.41 0.08 0.00 0.10 0.00 0.00 66.02 64.71 2kcq s SER 84 CO -0.08 0.18 0.78 -1.38 0.98 0.00 0.00 173.24 173.73 2kcq s HIS 85 N -1.35 -0.66 -1.23 5.02 -3.43 -1.19 -4.95 115.29 107.49 2kcq s HIS 85 Ca 0.28 1.45 -0.08 0.00 -0.80 0.00 0.00 55.06 55.91 2kcq s HIS 85 Cb -0.12 0.34 0.20 0.00 -1.43 0.00 0.00 32.58 31.57 2kcq s HIS 85 CO 0.20 -0.42 1.80 -0.35 -2.00 0.00 0.00 174.74 173.97 2kcq n PRO 86 N 1.92 3.89 -3.48 -0.38 -0.04 -1.23 -3.92 135.00 131.76 2kcq n PRO 86 Ca -0.15 -3.79 -0.15 0.00 -0.04 0.00 0.00 63.50 59.38 2kcq n PRO 86 Cb 0.56 -2.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 2kcq n PRO 86 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kcq s ASP 87 N 0.14 -0.59 0.43 3.54 -4.77 -1.26 -4.99 116.67 109.17 2kcq s ASP 87 Ca 0.38 0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 2kcq s ASP 87 Cb 0.09 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 2kcq s ASP 87 CO 0.03 -0.75 0.00 1.41 0.70 0.00 0.00 175.17 176.56 2kcq n HIS 88 N 0.30 -2.77 -1.69 2.11 8.25 -1.26 -4.45 115.22 115.71 2kcq n HIS 88 Ca -0.17 1.53 -0.39 0.00 -0.26 0.00 0.00 57.72 58.42 2kcq n HIS 88 Cb 0.61 -2.51 -0.04 0.00 1.12 0.00 0.00 29.99 29.17 2kcq n HIS 88 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kcq n PRO 89 N -3.26 1.98 -3.56 -0.41 -0.02 -1.26 -4.49 135.00 123.98 2kcq n PRO 89 Ca -0.05 -2.34 -0.22 0.00 -2.02 0.00 0.00 63.50 58.87 2kcq n PRO 89 Cb 0.44 -3.28 0.01 0.00 -0.02 0.00 0.00 33.50 30.65 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcq n ALA 90 N 9.27 -2.67 -3.52 3.55 0.00 -1.26 -5.00 120.51 120.87 2kcq n ALA 90 Ca 0.49 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2kcq n ALA 90 Cb 0.43 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 2kcq n ALA 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kcq s ARG 91 N -4.00 1.17 0.46 0.00 1.70 -1.26 -4.88 118.95 112.14 2kcq s ARG 91 Ca 0.09 -0.48 -0.23 0.00 -0.47 0.00 0.00 55.73 54.64 2kcq s ARG 91 Cb -0.01 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 2kcq s ARG 91 CO 0.86 -0.52 1.18 -1.25 -1.08 0.00 0.00 175.30 174.49 2kcq s PRO 92 N -3.52 3.72 0.00 3.89 0.04 -1.26 -4.85 135.00 133.02 2kcq s PRO 92 Ca 0.04 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2kcq s PRO 92 Cb -0.02 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2kcq s PRO 92 CO -0.09 -0.59 0.00 0.43 0.04 0.00 0.00 177.00 176.79 2kcq n SER 93 N -0.52 0.00 -0.06 6.66 7.64 -1.26 -4.96 113.62 121.13 2kcq n SER 93 Ca 0.07 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.96 2kcq n SER 93 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2kcq n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kcq h ALA 94 N 0.03 0.24 -0.83 -0.43 0.00 -1.99 -2.82 119.26 113.45 2kcq h ALA 94 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kcq h ALA 94 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2kcq h ALA 94 CO 0.00 -0.09 0.49 1.15 0.00 0.00 0.00 179.25 180.80 2kcq h THR 95 N 0.08 1.23 -0.57 0.00 2.02 -1.97 0.29 112.91 114.00 2kcq h THR 95 Ca 0.05 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.77 2kcq h THR 95 Cb 0.31 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 2kcq h THR 95 CO 0.00 0.25 0.28 0.44 0.37 0.00 0.00 175.52 176.86 2kcq h ASP 96 N 1.15 0.38 -0.22 4.18 5.19 -1.91 -1.21 116.42 123.98 2kcq h ASP 96 Ca 0.30 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.64 2kcq h ASP 96 Cb -0.03 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 2kcq h ASP 96 CO -0.05 0.25 -0.30 0.25 -3.12 0.00 0.00 179.24 176.27 2kcq h LEU 97 N 0.53 0.65 -1.86 1.55 6.46 -1.07 -3.18 115.31 118.38 2kcq h LEU 97 Ca 0.26 -0.51 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 2kcq h LEU 97 Cb 0.20 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2kcq h LEU 97 CO -0.20 1.03 -0.14 -0.33 -0.62 0.00 0.00 178.44 178.18 2kcq h GLU 98 N 0.28 0.00 -0.26 1.25 5.08 0.04 -0.31 114.58 120.66 2kcq h GLU 98 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2kcq h GLU 98 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kcq h GLU 98 CO 0.07 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.61 2kcq n GLU 99 N -3.84 2.15 -2.48 2.33 1.02 -0.50 -4.59 120.64 114.73 2kcq n GLU 99 Ca -0.02 -1.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.97 2kcq n GLU 99 Cb 0.23 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq n ALA 100 N 0.96 5.53 0.85 0.62 0.00 -0.13 -4.65 120.51 123.70 2kcq n ALA 100 Ca 0.18 -4.43 0.11 0.00 0.00 0.00 0.00 53.44 49.29 2kcq n ALA 100 Cb 0.48 -2.76 0.30 0.00 0.00 0.00 0.00 19.45 17.47 2kcq n ALA 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kcq n THR 101 N 2.46 0.34 -3.76 0.00 -1.04 -1.26 -4.67 114.28 106.35 2kcq n THR 101 Ca 0.39 -0.51 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 2kcq n THR 101 Cb 0.34 0.62 -0.12 0.00 -1.82 0.00 0.00 70.33 69.34 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2kcq s PHE 102 N -1.66 2.49 0.79 -1.42 -0.71 -1.26 -5.11 117.98 111.09 2kcq s PHE 102 Ca 0.34 -2.79 -0.11 0.00 -1.04 0.00 0.00 56.93 53.33 2kcq s PHE 102 Cb 0.19 -2.13 0.06 0.00 -1.21 0.00 0.00 43.02 39.94 2kcq s PHE 102 CO 0.28 -0.71 1.09 -1.25 -1.34 0.00 0.00 175.22 173.28 2kcq s PRO 103 N -0.31 2.15 0.00 1.99 0.04 -1.26 -3.87 135.00 133.74 2kcq s PRO 103 Ca 0.22 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2kcq s PRO 103 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2kcq s PRO 103 CO -0.08 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2kcq n GLY 104 N -1.33 3.37 3.89 0.56 0.00 -1.26 -5.05 105.19 105.36 2kcq n GLY 104 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2kcq n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcq s PHE 105 N -2.95 3.47 -0.20 1.61 0.40 -1.25 -4.97 117.98 114.09 2kcq s PHE 105 Ca 0.00 0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 56.91 2kcq s PHE 105 Cb 0.00 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 2kcq s PHE 105 CO 0.00 0.11 0.51 0.99 0.70 0.00 0.00 175.22 177.53 2kcq s THR 106 N -2.12 5.11 -0.43 0.64 2.01 -0.91 -4.73 115.64 115.21 2kcq s THR 106 Ca 0.46 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 63.23 2kcq s THR 106 Cb -0.11 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2kcq s THR 106 CO 0.29 0.19 0.41 -0.31 -0.69 0.00 0.00 174.62 174.51 2kcq s TYR 107 N 1.57 3.19 -0.27 4.92 2.02 -1.04 -0.99 117.35 126.76 2kcq s TYR 107 Ca 0.24 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.30 2kcq s TYR 107 Cb -0.15 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 2kcq s TYR 107 CO 0.10 -0.71 0.16 0.08 -1.57 0.00 0.00 175.55 173.60 2kcq s VAL 108 N 1.97 5.08 -0.14 0.71 1.01 -0.26 -0.32 120.40 128.46 2kcq s VAL 108 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2kcq s VAL 108 Cb -0.19 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2kcq s VAL 108 CO 0.11 0.28 -0.21 -0.63 0.00 0.00 0.00 175.10 174.66 2kcq s ILE 109 N 1.62 2.15 -0.10 2.22 1.01 0.61 -2.37 121.20 126.34 2kcq s ILE 109 Ca 0.07 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2kcq s ILE 109 Cb -0.15 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2kcq s ILE 109 CO 0.08 0.55 -0.22 0.54 0.00 0.00 0.00 174.94 175.90 2kcq s VAL 110 N 0.75 2.30 -0.57 2.92 0.11 -1.25 -0.86 120.40 123.80 2kcq s VAL 110 Ca -0.08 -0.94 -0.27 0.00 -2.93 0.00 0.00 61.98 57.76 2kcq s VAL 110 Cb -0.16 -1.89 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 2kcq s VAL 110 CO -0.00 0.56 1.11 -0.55 -3.33 0.00 0.00 175.10 172.88 2kcq s SER 111 N 0.23 6.41 -0.28 3.54 0.15 -0.81 -3.16 113.70 119.78 2kcq s SER 111 Ca -0.14 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 2kcq s SER 111 Cb -0.17 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2kcq s SER 111 CO 0.07 -1.40 0.04 -0.69 1.20 0.00 0.00 173.24 172.46 2kcq s VAL 112 N 4.62 3.61 -1.13 4.45 1.01 -1.25 0.39 120.40 132.09 2kcq s VAL 112 Ca 0.39 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2kcq s VAL 112 Cb -0.09 -2.86 0.23 0.00 0.00 0.00 0.00 36.38 33.66 2kcq s VAL 112 CO 0.23 0.11 2.10 0.54 0.00 0.00 0.00 175.10 178.08 2kcq n ARG 113 N 4.80 4.91 -2.87 2.72 1.74 0.19 -3.47 116.66 124.68 2kcq n ARG 113 Ca -0.15 -4.05 -0.08 0.00 -0.77 0.00 0.00 57.85 52.80 2kcq n ARG 113 Cb 0.48 -2.52 0.01 0.00 -1.02 0.00 0.00 32.46 29.41 2kcq n ARG 113 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kcq n ASP 114 N 0.70 -7.84 0.00 0.55 2.03 -1.26 -3.66 116.55 107.06 2kcq n ASP 114 Ca 0.54 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2kcq n ASP 114 Cb 0.26 -5.15 0.00 0.00 -0.72 0.00 0.00 41.12 35.51 2kcq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 115 N -0.09 3.07 3.21 0.27 0.00 -1.26 -4.96 105.19 105.42 2kcq n GLY 115 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2kcq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq s ALA 116 N -1.63 3.35 -0.28 4.61 0.00 -1.24 -4.20 121.76 122.37 2kcq s ALA 116 Ca 0.00 -2.46 -0.29 0.00 0.00 0.00 0.00 51.96 49.21 2kcq s ALA 116 Cb 0.00 -2.75 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 2kcq s ALA 116 CO 0.00 -1.85 1.31 -2.14 0.00 0.00 0.00 175.76 173.08 2kcq s PRO 117 N 1.35 3.94 0.00 0.00 0.02 -1.26 0.54 135.00 139.59 2kcq s PRO 117 Ca 0.05 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.38 2kcq s PRO 117 Cb -0.25 -3.87 0.00 0.00 0.02 0.00 0.00 34.50 30.39 2kcq s PRO 117 CO -0.01 -1.08 0.00 -1.91 -0.33 0.00 0.00 177.00 173.67 2kcq n GLU 118 N 7.25 0.00 -4.00 5.54 2.13 0.16 -4.97 120.64 126.75 2kcq n GLU 118 Ca 0.15 0.30 -0.09 0.00 0.66 0.00 0.00 57.16 58.18 2kcq n GLU 118 Cb 0.46 -0.78 -0.11 0.00 0.27 0.00 0.00 31.44 31.28 2kcq n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kcq s ALA 119 N -3.30 0.18 -0.19 4.31 0.00 -1.25 -4.99 121.76 116.52 2kcq s ALA 119 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2kcq s ALA 119 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2kcq s ALA 119 CO 0.00 -0.19 0.10 -0.51 0.00 0.00 0.00 175.76 175.17 2kcq s LEU 120 N -1.66 4.04 -0.05 0.00 1.43 -1.26 -1.91 118.68 119.26 2kcq s LEU 120 Ca -0.13 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2kcq s LEU 120 Cb -0.08 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2kcq s LEU 120 CO -0.02 0.17 -0.09 0.42 0.23 0.00 0.00 176.35 177.06 2kcq s THR 121 N 0.39 0.84 -0.12 5.49 -4.23 -0.04 -5.02 115.64 112.95 2kcq s THR 121 Ca 0.06 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 2kcq s THR 121 Cb -0.12 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 2kcq s THR 121 CO -0.01 0.28 -0.05 0.00 -0.54 0.00 0.00 174.62 174.31 2kcq s ALA 122 N 0.60 3.01 -0.01 3.99 0.00 -1.26 -0.28 121.76 127.80 2kcq s ALA 122 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.07 2kcq s ALA 122 Cb -0.13 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2kcq s ALA 122 CO 0.02 0.35 -0.17 -1.58 0.00 0.00 0.00 175.76 174.37 2kcq s TRP 123 N -0.07 1.54 -0.15 0.00 0.52 0.57 -0.64 118.94 120.71 2kcq s TRP 123 Ca 0.01 -0.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.79 2kcq s TRP 123 Cb -0.13 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 2kcq s TRP 123 CO 0.03 -0.03 0.01 0.00 0.02 0.00 0.00 176.95 176.97 2kcq s ALA 124 N -0.39 3.22 0.17 0.98 0.00 0.35 -2.50 121.76 123.59 2kcq s ALA 124 Ca 0.06 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2kcq s ALA 124 Cb -0.07 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.31 2kcq s ALA 124 CO -0.01 0.30 0.92 -1.17 0.00 0.00 0.00 175.76 175.80 2kcq s LEU 125 N 0.06 4.57 0.57 0.00 2.96 -1.26 -0.98 118.68 124.60 2kcq s LEU 125 Ca 0.02 1.83 -0.19 0.00 -0.22 0.00 0.00 54.13 55.57 2kcq s LEU 125 Cb -0.13 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 2kcq s LEU 125 CO 0.02 0.07 1.17 0.00 -1.32 0.00 0.00 176.35 176.28 2kcq s ALA 126 N -0.65 2.61 0.47 5.97 0.00 -0.40 -4.89 121.76 124.87 2kcq s ALA 126 Ca 0.43 0.91 0.23 0.00 0.00 0.00 0.00 51.96 53.52 2kcq s ALA 126 Cb -0.24 -3.40 1.24 0.00 0.00 0.00 0.00 23.12 20.72 2kcq s ALA 126 CO 0.30 -0.98 1.89 -1.35 0.00 0.00 0.00 175.76 175.62 2kcq h PRO 127 N 1.01 0.22 -0.66 0.00 0.11 -1.96 0.18 132.00 130.91 2kcq h PRO 127 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kcq h PRO 127 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kcq h PRO 127 CO 0.56 0.15 0.00 -3.47 -0.21 0.00 0.00 178.00 175.03 2kcq n ASP 128 N -4.42 4.39 -2.38 -2.05 2.03 -1.26 -4.93 116.55 107.93 2kcq n ASP 128 Ca 0.17 -2.36 -0.12 0.00 0.52 0.00 0.00 54.79 53.00 2kcq n ASP 128 Cb 0.75 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.60 2kcq n ASP 128 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kcq n ARG 129 N 1.11 -2.20 -0.02 -0.67 1.85 0.63 -4.82 116.66 112.54 2kcq n ARG 129 Ca 0.24 0.58 -0.02 0.00 -1.00 0.00 0.00 57.85 57.65 2kcq n ARG 129 Cb 0.81 -5.15 -0.13 0.00 -1.05 0.00 0.00 32.46 26.94 2kcq n ARG 129 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2kcq n SER 130 N -1.71 0.46 -3.94 2.89 3.41 -1.26 -4.96 113.62 108.51 2kcq n SER 130 Ca -0.14 0.20 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2kcq n SER 130 Cb 0.59 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 2kcq n SER 130 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2kcq s GLU 131 N -2.85 1.56 0.14 4.33 1.03 -1.26 -5.07 118.70 116.59 2kcq s GLU 131 Ca -0.06 -1.15 0.08 0.00 0.03 0.00 0.00 54.97 53.87 2kcq s GLU 131 Cb 0.09 0.50 -0.04 0.00 -0.80 0.00 0.00 34.13 33.88 2kcq s GLU 131 CO 0.83 -0.67 -0.09 -0.06 -1.33 0.00 0.00 175.26 173.95 2kcq s PHE 132 N -3.98 2.70 -0.04 4.83 0.08 -1.26 -1.28 117.98 119.04 2kcq s PHE 132 Ca 0.18 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.09 2kcq s PHE 132 Cb -0.02 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 2kcq s PHE 132 CO 0.07 0.46 -0.17 -3.38 -0.10 0.00 0.00 175.22 172.11 2kcq s HIS 133 N -1.44 1.63 0.40 0.36 -3.43 -0.15 -4.95 115.29 107.71 2kcq s HIS 133 Ca 0.23 -0.43 -0.24 0.00 -0.80 0.00 0.00 55.06 53.82 2kcq s HIS 133 Cb -0.10 -1.09 -0.09 0.00 -1.43 0.00 0.00 32.58 29.87 2kcq s HIS 133 CO 0.15 -0.13 1.04 0.50 -2.00 0.00 0.00 174.74 174.30 2kcq s ARG 134 N -0.05 4.18 0.13 -0.38 3.52 -1.26 -0.49 118.95 124.60 2kcq s ARG 134 Ca -0.01 1.49 0.06 0.00 -0.13 0.00 0.00 55.73 57.14 2kcq s ARG 134 Cb -0.10 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2kcq s ARG 134 CO 0.01 -0.12 -0.15 -2.00 -0.81 0.00 0.00 175.30 172.24 2kcq s GLU 135 N -2.50 1.06 0.06 5.12 2.12 0.19 -4.85 118.70 119.89 2kcq s GLU 135 Ca 0.58 -1.27 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 2kcq s GLU 135 Cb -0.21 -0.97 -0.05 0.00 0.26 0.00 0.00 34.13 33.16 2kcq s GLU 135 CO 0.27 0.19 0.26 -0.51 -0.54 0.00 0.00 175.26 174.92 2kcq s ASP 136 N -2.49 6.42 -0.07 -1.70 1.01 -1.26 -4.05 116.67 114.53 2kcq s ASP 136 Ca 0.10 0.42 -0.26 0.00 0.71 0.00 0.00 52.55 53.52 2kcq s ASP 136 Cb -0.05 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 2kcq s ASP 136 CO 0.03 0.18 0.81 -0.63 0.21 0.00 0.00 175.17 175.77 2kcq s ILE 137 N -1.47 4.96 0.01 0.77 1.09 -1.26 -4.68 121.20 120.62 2kcq s ILE 137 Ca 0.34 1.66 0.02 0.00 -1.10 0.00 0.00 60.65 61.57 2kcq s ILE 137 Cb -0.13 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 2kcq s ILE 137 CO 0.23 0.18 -0.03 0.68 -0.10 0.00 0.00 174.94 175.90 2kcq s VAL 138 N 1.13 3.92 0.04 2.92 -7.23 -0.99 -5.01 120.40 115.17 2kcq s VAL 138 Ca 0.42 -0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 2kcq s VAL 138 Cb -0.18 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 2kcq s VAL 138 CO 0.20 0.37 0.83 -0.13 -0.31 0.00 0.00 175.10 176.05 2kcq s ARG 139 N -1.54 4.54 0.82 4.82 3.00 -1.25 -1.31 118.95 128.02 2kcq s ARG 139 Ca 0.19 1.17 -0.12 0.00 0.00 0.00 0.00 55.73 56.97 2kcq s ARG 139 Cb -0.11 -3.39 0.09 0.00 0.00 0.00 0.00 34.95 31.54 2kcq s ARG 139 CO 0.09 0.20 1.14 -1.25 0.00 0.00 0.00 175.30 175.48 2kcq s PRO 140 N 0.20 1.71 0.18 3.54 0.04 -1.26 -4.86 135.00 134.56 2kcq s PRO 140 Ca 0.42 1.48 -0.33 0.00 0.04 0.00 0.00 61.00 62.61 2kcq s PRO 140 Cb -0.21 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2kcq s PRO 140 CO 0.24 -2.10 1.49 -0.25 0.04 0.00 0.00 177.00 176.42 2kcq n ASP 141 N -3.59 2.81 -1.74 6.66 9.92 -1.26 -4.80 116.55 124.54 2kcq n ASP 141 Ca 0.11 1.11 -0.02 0.00 -0.53 0.00 0.00 54.79 55.47 2kcq n ASP 141 Cb 0.52 -1.40 -0.02 0.00 -0.64 0.00 0.00 41.12 39.58 2kcq n ASP 141 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kcq n PRO 142 N 2.82 0.83 0.00 -0.24 -0.04 -1.26 -2.53 135.00 134.59 2kcq n PRO 142 Ca 0.15 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kcq n PRO 142 Cb 0.29 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcq n GLU 143 N 1.84 2.28 -3.09 0.54 1.02 -1.26 -5.06 120.64 116.90 2kcq n GLU 143 Ca 0.06 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 2kcq n GLU 143 Cb 0.41 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 30.82 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 144 N -1.83 3.31 0.42 0.62 0.00 -1.05 -5.03 121.76 118.20 2kcq s ALA 144 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 2kcq s ALA 144 Cb 0.00 -2.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 2kcq s ALA 144 CO 0.00 0.31 1.32 -2.30 0.00 0.00 0.00 175.76 175.09 2kcq n PRO 145 N -0.13 2.06 0.00 0.00 -0.02 -1.26 -4.98 135.00 130.66 2kcq n PRO 145 Ca 0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2kcq n PRO 145 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2kcq n PRO 145 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcq n LEU 146 N 0.18 0.67 -4.93 2.45 4.77 -1.26 -4.85 117.00 114.03 2kcq n LEU 146 Ca 0.06 0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 56.28 2kcq n LEU 146 Cb 0.40 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2kcq n LEU 146 CO 0.60 -0.28 -0.05 -0.70 -1.33 0.00 0.00 177.39 175.62 2kcq s GLU 147 N -1.32 3.49 0.06 3.23 -6.30 -1.26 -4.87 118.70 111.72 2kcq s GLU 147 Ca 0.00 -0.42 0.00 0.00 -2.50 0.00 0.00 54.97 52.05 2kcq s GLU 147 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 34.13 31.20 2kcq s GLU 147 CO 0.00 0.50 0.00 0.72 0.02 0.00 0.00 175.26 176.50 2kcq n HIS 148 N -0.31 -1.73 0.94 5.30 8.25 -1.26 -4.89 115.22 121.52 2kcq n HIS 148 Ca -0.05 1.04 0.13 0.00 -0.26 0.00 0.00 57.72 58.57 2kcq n HIS 148 Cb 0.53 -2.60 0.38 0.00 1.12 0.00 0.00 29.99 29.42 2kcq n HIS 148 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcq n HIS 149 N 0.66 0.10 -4.62 4.41 -0.00 -1.26 -4.79 115.22 109.71 2kcq n HIS 149 Ca 0.00 0.03 -0.31 0.00 0.46 0.00 0.00 57.72 57.90 2kcq n HIS 149 Cb 0.00 -0.41 -0.12 0.00 -0.12 0.00 0.00 29.99 29.34 2kcq n HIS 149 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcq s HIS 150 N -3.02 2.61 -1.47 1.57 3.76 -1.26 -5.03 115.29 112.44 2kcq s HIS 150 Ca 0.12 -0.22 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 2kcq s HIS 150 Cb 0.17 -1.48 0.26 0.00 1.11 0.00 0.00 32.58 32.64 2kcq s HIS 150 CO 0.64 0.27 1.10 0.72 -0.85 0.00 0.00 174.74 176.62 2kcq n HIS 151 N 1.53 0.53 -4.13 1.40 -0.00 -1.26 -4.81 115.22 108.48 2kcq n HIS 151 Ca -0.16 -0.22 -0.09 0.00 -0.00 0.00 0.00 57.72 57.26 2kcq n HIS 151 Cb 0.52 -0.10 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 2kcq n HIS 151 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcq s HIS 152 N -1.64 0.73 -1.57 4.41 0.00 -1.26 -5.23 115.29 110.74 2kcq s HIS 152 Ca 0.19 -1.09 0.13 0.00 -3.00 0.00 0.00 55.06 51.28 2kcq s HIS 152 Cb 0.12 -0.46 0.10 0.00 -4.00 0.00 0.00 32.58 28.34 2kcq s HIS 152 CO 0.10 -0.37 0.90 -2.39 -1.00 0.00 0.00 174.74 171.97