#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 3.67 0.32 2.12 3.01 -1.12 -1.09 119.74 126.66 2kcq s LYS 2 Ca 0.00 -0.47 -0.18 0.00 -1.01 0.00 0.00 55.97 54.31 2kcq s LYS 2 Cb 0.00 -3.32 0.03 0.00 -1.01 0.00 0.00 37.83 33.54 2kcq s LYS 2 CO 0.00 -0.16 0.73 -0.08 0.51 0.00 0.00 175.35 176.35 2kcq s THR 3 N 1.54 0.00 0.18 2.17 -1.32 -0.50 -2.50 115.64 115.21 2kcq s THR 3 Ca 0.06 -1.03 0.04 0.00 -1.21 0.00 0.00 61.69 59.55 2kcq s THR 3 Cb -0.15 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2kcq s THR 3 CO 0.04 0.00 0.22 0.42 -2.21 0.00 0.00 174.62 173.09 2kcq s THR 4 N -3.23 4.86 0.53 5.08 -4.23 -1.26 -4.08 115.64 113.31 2kcq s THR 4 Ca 0.14 -0.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.89 2kcq s THR 4 Cb -0.05 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.60 2kcq s THR 4 CO 0.09 -0.16 2.08 1.55 -0.54 0.00 0.00 174.62 177.65 2kcq h PRO 5 N 2.07 0.00 -0.95 3.99 0.13 -1.98 -0.97 132.00 134.29 2kcq h PRO 5 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kcq h PRO 5 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2kcq h PRO 5 CO 0.65 0.00 0.57 0.22 -0.23 0.00 0.00 178.00 179.20 2kcq h ASP 6 N 0.00 1.14 -0.16 1.44 3.58 -2.00 -0.19 116.42 120.23 2kcq h ASP 6 Ca 0.12 -0.07 -0.22 0.00 0.42 0.00 0.00 57.03 57.28 2kcq h ASP 6 Cb 0.48 -0.29 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2kcq h ASP 6 CO -0.00 0.88 -0.75 0.40 -2.88 0.00 0.00 179.24 176.88 2kcq h ILE 7 N 1.31 1.28 -0.73 2.25 1.08 -1.61 -2.91 117.51 118.17 2kcq h ILE 7 Ca 0.34 -1.95 0.07 0.00 -0.39 0.00 0.00 64.86 62.93 2kcq h ILE 7 Cb -0.05 1.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.60 2kcq h ILE 7 CO -0.06 0.62 0.42 -0.07 -0.69 0.00 0.00 178.15 178.36 2kcq h LEU 8 N 0.53 0.62 -0.21 1.44 3.38 -0.94 -0.27 115.31 119.86 2kcq h LEU 8 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kcq h LEU 8 Cb 1.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2kcq h LEU 8 CO 0.16 0.39 0.13 -0.78 0.09 0.00 0.00 178.44 178.43 2kcq h ASP 9 N 0.75 0.24 -1.01 -0.43 3.58 -1.05 -2.31 116.42 116.20 2kcq h ASP 9 Ca 0.33 -0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.82 2kcq h ASP 9 Cb 0.23 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 2kcq h ASP 9 CO -0.20 0.20 0.65 1.56 -2.88 0.00 0.00 179.24 178.57 2kcq h GLN 10 N 0.27 1.15 -0.12 0.28 4.20 -1.15 0.17 115.11 119.91 2kcq h GLN 10 Ca 0.08 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2kcq h GLN 10 Cb -0.01 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2kcq h GLN 10 CO -0.02 0.76 0.07 0.82 -0.67 0.00 0.00 178.83 179.79 2kcq h ILE 11 N 1.18 1.01 -0.43 2.54 2.04 -0.72 0.65 117.51 123.78 2kcq h ILE 11 Ca 0.43 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 66.19 2kcq h ILE 11 Cb 0.16 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2kcq h ILE 11 CO -0.17 0.03 0.06 -0.09 0.00 0.00 0.00 178.15 177.98 2kcq h ARG 12 N 0.14 0.71 -0.12 2.37 2.43 -0.85 -2.02 114.38 117.04 2kcq h ARG 12 Ca 0.05 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2kcq h ARG 12 Cb -0.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2kcq h ARG 12 CO -0.03 0.75 0.03 0.28 -1.51 0.00 0.00 179.97 179.49 2kcq h VAL 13 N 0.57 1.20 0.00 0.20 2.07 -0.52 -2.86 116.25 116.90 2kcq h VAL 13 Ca 0.13 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2kcq h VAL 13 Cb 0.39 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2kcq h VAL 13 CO 0.01 0.18 -0.26 0.45 0.02 0.00 0.00 177.57 177.97 2kcq h HIS 14 N -0.01 0.00 -0.06 1.57 3.86 -0.86 0.14 115.15 119.79 2kcq h HIS 14 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kcq h HIS 14 Cb 0.26 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 2kcq h HIS 14 CO 0.01 0.26 0.03 0.78 0.86 0.00 0.00 177.93 179.87 2kcq h GLY 15 N 0.96 0.09 2.00 2.45 0.00 -1.18 -1.38 103.07 106.02 2kcq h GLY 15 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 2kcq h GLY 15 CO 0.03 0.04 -0.49 0.00 0.00 0.00 0.00 176.54 176.13 2kcq h ALA 16 N 0.90 0.89 -0.58 3.60 0.00 -1.26 -3.07 119.26 119.73 2kcq h ALA 16 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2kcq h ALA 16 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kcq h ALA 16 CO -0.00 0.61 0.06 0.22 0.00 0.00 0.00 179.25 180.14 2kcq h ASP 17 N 0.00 0.92 1.05 0.00 3.58 -0.47 -2.65 116.42 118.85 2kcq h ASP 17 Ca -0.00 -0.22 -0.13 0.00 0.42 0.00 0.00 57.03 57.10 2kcq h ASP 17 Cb 1.08 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2kcq h ASP 17 CO 0.06 0.95 -0.60 0.00 -2.88 0.00 0.00 179.24 176.77 2kcq h ALA 18 N 1.16 0.73 -3.07 -0.78 0.00 -1.25 -3.46 119.26 112.59 2kcq h ALA 18 Ca 0.18 -0.55 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 2kcq h ALA 18 Cb 0.45 -0.10 0.16 0.00 0.00 0.00 0.00 17.79 18.30 2kcq h ALA 18 CO 0.02 0.75 0.47 0.98 0.00 0.00 0.00 179.25 181.47 2kcq n TYR 19 N -3.43 1.81 1.43 0.00 9.36 -1.00 -1.74 117.16 123.59 2kcq n TYR 19 Ca 0.00 0.42 0.14 0.00 3.32 0.00 0.00 57.90 61.78 2kcq n TYR 19 Cb 0.70 -2.25 0.74 0.00 -0.63 0.00 0.00 39.34 37.90 2kcq n TYR 19 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2kcq n PRO 20 N -1.86 0.51 -2.30 2.98 -0.02 -1.26 -5.01 135.00 128.04 2kcq n PRO 20 Ca 0.16 0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.32 2kcq n PRO 20 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kcq s GLU 21 N -2.45 3.60 -0.34 -0.52 0.41 -0.71 -4.96 118.70 113.74 2kcq s GLU 21 Ca 0.30 1.23 -0.29 0.00 -0.41 0.00 0.00 54.97 55.80 2kcq s GLU 21 Cb 0.19 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.46 2kcq s GLU 21 CO 0.41 -0.58 1.53 -1.83 -0.49 0.00 0.00 175.26 174.30 2kcq s GLU 22 N -3.74 3.61 0.00 1.61 -1.05 -1.26 -4.76 118.70 113.11 2kcq s GLU 22 Ca 0.64 1.25 0.00 0.00 -0.15 0.00 0.00 54.97 56.71 2kcq s GLU 22 Cb -0.15 -4.05 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 2kcq s GLU 22 CO 0.29 -1.52 0.14 0.41 0.95 0.00 0.00 175.26 175.53 2kcq n GLY 23 N 4.97 0.34 0.98 -3.83 0.00 -1.26 -5.03 105.19 101.37 2kcq n GLY 23 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.60 -1.32 3.41 0.00 0.00 0.79 -0.69 105.19 103.78 2kcq n GLY 25 Ca -0.07 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.47 2.29 -0.24 1.61 0.40 -0.89 -0.66 117.98 118.02 2kcq s PHE 26 Ca 0.00 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.80 2kcq s PHE 26 Cb 0.00 -1.15 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 2kcq s PHE 26 CO 0.00 0.46 0.43 -0.51 0.70 0.00 0.00 175.22 176.30 2kcq s LEU 27 N -2.55 4.09 -0.16 -0.37 1.43 0.11 -3.61 118.68 117.62 2kcq s LEU 27 Ca 0.19 0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2kcq s LEU 27 Cb -0.08 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kcq s LEU 27 CO 0.09 -0.18 0.06 -0.76 0.23 0.00 0.00 176.35 175.79 2kcq s LEU 28 N 1.87 3.80 0.00 1.79 1.43 -0.57 -1.18 118.68 125.82 2kcq s LEU 28 Ca 0.19 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2kcq s LEU 28 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2kcq s LEU 28 CO 0.09 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2kcq n GLY 29 N 3.25 -0.83 3.01 -3.19 0.00 -0.20 -0.57 105.19 106.66 2kcq n GLY 29 Ca -0.17 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2kcq n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcq s THR 30 N -4.00 0.39 -0.24 2.61 -4.23 -0.82 -0.32 115.64 109.03 2kcq s THR 30 Ca 0.00 -0.79 -0.13 0.00 -1.18 0.00 0.00 61.69 59.60 2kcq s THR 30 Cb 0.00 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 2kcq s THR 30 CO 0.00 -0.27 0.26 -0.69 -0.54 0.00 0.00 174.62 173.37 2kcq s VAL 31 N -1.03 5.29 0.86 2.29 1.01 -1.26 -2.30 120.40 125.26 2kcq s VAL 31 Ca -0.08 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 2kcq s VAL 31 Cb -0.08 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2kcq s VAL 31 CO -0.00 0.28 1.22 0.42 0.00 0.00 0.00 175.10 177.03 2kcq s THR 32 N 1.34 2.00 0.34 3.92 -4.23 -0.27 -4.89 115.64 113.85 2kcq s THR 32 Ca 0.12 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2kcq s THR 32 Cb -0.14 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 70.96 2kcq s THR 32 CO 0.07 0.00 2.00 -0.78 -0.54 0.00 0.00 174.62 175.37 2kcq h ASP 33 N -1.25 0.76 0.34 3.99 3.58 -1.98 -1.62 116.42 120.23 2kcq h ASP 33 Ca -0.46 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kcq h ASP 33 Cb 1.30 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2kcq h ASP 33 CO 0.57 0.55 0.00 0.47 -2.88 0.00 0.00 179.24 177.95 2kcq n ASP 34 N -4.44 0.00 0.00 2.28 8.00 -1.26 -4.86 116.55 116.28 2kcq n ASP 34 Ca 0.07 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2kcq n ASP 34 Cb 0.05 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcq n GLY 35 N 0.83 0.76 3.74 0.44 0.00 -0.61 -5.04 105.19 105.31 2kcq n GLY 35 Ca 0.15 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2kcq n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kcq s ASP 36 N -2.69 7.14 -0.51 1.61 1.01 -1.26 -4.81 116.67 117.17 2kcq s ASP 36 Ca 0.00 1.37 -0.16 0.00 0.71 0.00 0.00 52.55 54.46 2kcq s ASP 36 Cb 0.00 -2.45 0.09 0.00 1.01 0.00 0.00 42.92 41.57 2kcq s ASP 36 CO 0.00 -0.01 0.48 0.20 0.21 0.00 0.00 175.17 176.05 2kcq s ASN 37 N 0.12 6.17 0.00 0.27 -0.87 -1.26 -1.11 114.94 118.26 2kcq s ASN 37 Ca 0.38 -1.43 0.04 0.00 -1.57 0.00 0.00 52.86 50.27 2kcq s ASN 37 Cb -0.20 -2.21 -0.03 0.00 -0.02 0.00 0.00 41.25 38.79 2kcq s ASN 37 CO 0.21 -0.78 -0.10 0.00 -2.57 0.00 0.00 177.10 173.87 2kcq s ARG 38 N 1.83 2.46 -0.20 -0.60 1.70 -0.97 -2.79 118.95 120.38 2kcq s ARG 38 Ca 0.06 -0.76 -0.02 0.00 -0.47 0.00 0.00 55.73 54.53 2kcq s ARG 38 Cb -0.25 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.69 2kcq s ARG 38 CO 0.06 0.60 -0.10 0.08 -1.08 0.00 0.00 175.30 174.86 2kcq s VAL 39 N -0.95 2.92 -0.31 4.99 1.01 -1.04 -1.95 120.40 125.07 2kcq s VAL 39 Ca 0.16 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2kcq s VAL 39 Cb -0.11 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2kcq s VAL 39 CO 0.06 0.47 0.28 0.00 0.00 0.00 0.00 175.10 175.91 2kcq n ALA 40 N 4.70 2.68 -3.21 5.51 0.00 0.26 -4.74 120.51 125.72 2kcq n ALA 40 Ca -0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2kcq n ALA 40 Cb 0.51 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.40 -0.74 0.22 0.00 0.00 -0.24 -5.00 121.76 114.61 2kcq s ALA 41 Ca 0.03 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.35 2kcq s ALA 41 Cb 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2kcq s ALA 41 CO 0.20 -0.27 -0.21 -0.51 0.00 0.00 0.00 175.76 174.97 2kcq s LEU 42 N -1.40 2.49 -0.28 0.00 1.43 -1.26 -1.51 118.68 118.15 2kcq s LEU 42 Ca -0.13 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 2kcq s LEU 42 Cb -0.05 -1.07 0.10 0.00 0.03 0.00 0.00 46.19 45.20 2kcq s LEU 42 CO 0.03 0.06 0.81 -2.28 0.23 0.00 0.00 176.35 175.20 2kcq s HIS 43 N -2.08 -0.84 0.24 0.29 2.46 -1.24 -4.96 115.29 109.16 2kcq s HIS 43 Ca 0.23 1.74 -0.30 0.00 0.47 0.00 0.00 55.06 57.20 2kcq s HIS 43 Cb -0.06 0.48 -0.09 0.00 -0.13 0.00 0.00 32.58 32.78 2kcq s HIS 43 CO 0.11 -0.41 1.20 0.50 -2.47 0.00 0.00 174.74 173.67 2kcq s ARG 44 N 1.25 4.50 0.00 2.88 3.52 -1.26 -2.09 118.95 127.75 2kcq s ARG 44 Ca -0.07 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 2kcq s ARG 44 Cb -0.05 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2kcq s ARG 44 CO -0.14 -0.03 0.62 0.00 -0.81 0.00 0.00 175.30 174.94 2kcq n ALA 45 N 1.86 -0.08 -1.93 6.12 0.00 0.13 -4.47 120.51 122.13 2kcq n ALA 45 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2kcq n ALA 45 Cb 0.44 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2kcq n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kcq s THR 46 N -1.49 3.25 0.07 0.00 2.01 -1.26 -4.25 115.64 113.98 2kcq s THR 46 Ca 0.00 0.53 -0.16 0.00 0.31 0.00 0.00 61.69 62.37 2kcq s THR 46 Cb 0.00 -3.34 -0.15 0.00 0.01 0.00 0.00 72.50 69.02 2kcq s THR 46 CO 0.00 -0.02 1.29 -0.55 -0.69 0.00 0.00 174.62 174.65 2kcq h ASN 47 N 9.03 0.76 0.00 3.53 7.08 -1.84 -3.46 115.58 130.67 2kcq h ASN 47 Ca -0.42 -0.60 0.00 0.00 -3.08 0.00 0.00 56.30 52.19 2kcq h ASN 47 Cb 1.20 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 2kcq h ASN 47 CO 0.94 1.23 0.00 0.54 -2.08 0.00 0.00 177.43 178.06 2kcq n ARG 48 N -4.14 0.00 0.12 4.14 1.74 -1.26 -4.69 116.66 112.56 2kcq n ARG 48 Ca -0.07 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.80 2kcq n ARG 48 Cb 0.62 -3.12 -0.15 0.00 -1.02 0.00 0.00 32.46 28.79 2kcq n ARG 48 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2kcq h ARG 49 N 0.64 0.42 -5.54 5.56 2.43 -2.02 -3.45 114.38 112.41 2kcq h ARG 49 Ca 0.00 -0.72 -0.45 0.00 -0.81 0.00 0.00 59.98 58.00 2kcq h ARG 49 Cb 0.00 0.27 -0.22 0.00 -0.42 0.00 0.00 29.97 29.60 2kcq h ARG 49 CO 0.00 1.33 -0.79 0.45 -1.51 0.00 0.00 179.97 179.45 2kcq s SER 50 N -7.37 1.89 0.07 -3.80 0.15 -1.26 -5.05 113.70 98.33 2kcq s SER 50 Ca -0.09 -0.62 -0.12 0.00 0.70 0.00 0.00 55.95 55.82 2kcq s SER 50 Cb 0.05 -0.07 -0.25 0.00 -1.71 0.00 0.00 66.02 64.04 2kcq s SER 50 CO 0.91 -0.04 1.15 -0.33 1.20 0.00 0.00 173.24 176.13 2kcq h GLU 51 N 4.28 0.58 0.00 5.44 3.07 -2.01 -3.47 114.58 122.47 2kcq h GLU 51 Ca -0.42 -0.74 0.00 0.00 -0.50 0.00 0.00 59.36 57.70 2kcq h GLU 51 Cb 1.19 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 2kcq h GLU 51 CO 0.40 1.32 0.00 0.94 -1.40 0.00 0.00 179.01 180.27 2kcq n GLN 52 N -3.77 0.00 -0.12 2.33 7.27 -1.26 -4.85 117.38 116.98 2kcq n GLN 52 Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.81 2kcq n GLN 52 Cb 0.96 -2.67 -0.10 0.00 2.41 0.00 0.00 30.24 30.84 2kcq n GLN 52 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2kcq h ARG 53 N 1.29 -0.40 0.00 3.69 2.43 -1.91 -3.44 114.38 116.05 2kcq h ARG 53 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kcq h ARG 53 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2kcq h ARG 53 CO 0.00 -0.27 0.00 2.41 -1.51 0.00 0.00 179.97 180.60 2kcq n THR 54 N -5.33 0.00 0.05 0.20 -1.04 -1.26 -3.03 114.28 103.86 2kcq n THR 54 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2kcq n THR 54 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 -1.87 -2.82 0.00 -1.26 -5.11 116.66 105.60 2kcq n ARG 55 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 2kcq n ARG 55 Cb 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 32.46 32.48 2kcq n ARG 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kcq s ARG 56 N -2.00 2.20 -0.20 -0.14 0.52 -1.17 -5.03 118.95 113.14 2kcq s ARG 56 Ca 0.00 0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 55.23 2kcq s ARG 56 Cb 0.00 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 2kcq s ARG 56 CO 0.00 -1.45 0.70 0.71 0.02 0.00 0.00 175.30 175.28 2kcq s TYR 57 N -3.49 3.37 0.42 -0.53 2.02 -1.26 -4.73 117.35 113.16 2kcq s TYR 57 Ca 0.61 1.02 0.21 0.00 -0.37 0.00 0.00 57.07 58.54 2kcq s TYR 57 Cb -0.11 -2.88 1.20 0.00 -0.40 0.00 0.00 41.96 39.77 2kcq s TYR 57 CO 0.50 -0.22 2.01 1.05 -1.57 0.00 0.00 175.55 177.32 2kcq h GLU 58 N 7.50 0.00 -3.54 -0.62 9.09 -1.94 -3.46 114.58 121.61 2kcq h GLU 58 Ca -0.30 0.00 -0.42 0.00 0.05 0.00 0.00 59.36 58.70 2kcq h GLU 58 Cb 1.13 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2kcq h GLU 58 CO 0.80 0.17 -0.57 -0.11 0.05 0.00 0.00 179.01 179.35 2kcq n LEU 59 N -3.95 -2.23 -1.52 3.06 7.94 -1.26 -1.74 117.00 117.30 2kcq n LEU 59 Ca -0.02 -0.12 -0.20 0.00 -1.11 0.00 0.00 56.01 54.57 2kcq n LEU 59 Cb 0.26 -2.97 -0.08 0.00 0.53 0.00 0.00 43.42 41.15 2kcq n LEU 59 CO 0.33 -0.05 -0.19 1.07 -1.11 0.00 0.00 177.39 177.44 2kcq n THR 60 N -4.21 -0.01 -3.26 1.96 5.66 -1.26 -4.91 114.28 108.25 2kcq n THR 60 Ca -0.20 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.44 2kcq n THR 60 Cb 0.67 -1.92 -0.03 0.00 -1.55 0.00 0.00 70.33 67.49 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcq n ALA 61 N 1.32 4.56 -0.03 1.79 0.00 -0.71 -4.68 120.51 122.76 2kcq n ALA 61 Ca -0.20 -4.76 0.02 0.00 0.00 0.00 0.00 53.44 48.50 2kcq n ALA 61 Cb 0.65 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 2kcq n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kcq n ASP 62 N 1.31 0.21 -0.14 0.00 2.03 -1.26 -4.66 116.55 114.03 2kcq n ASP 62 Ca 0.27 0.09 -0.11 0.00 0.52 0.00 0.00 54.79 55.56 2kcq n ASP 62 Cb 0.37 1.23 -0.06 0.00 -0.72 0.00 0.00 41.12 41.94 2kcq n ASP 62 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kcq h ASP 63 N 0.00 -1.54 -0.34 1.67 5.19 -1.84 -2.09 116.42 117.47 2kcq h ASP 63 Ca -0.22 0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 2kcq h ASP 63 Cb 1.54 0.67 -0.01 0.00 0.18 0.00 0.00 39.33 41.70 2kcq h ASP 63 CO 0.02 -0.37 -0.19 0.22 -3.12 0.00 0.00 179.24 175.79 2kcq h TYR 64 N -0.33 0.85 -0.99 4.55 3.20 -1.83 -2.75 116.97 119.67 2kcq h TYR 64 Ca 0.13 -0.22 0.08 0.00 3.14 0.00 0.00 58.73 61.86 2kcq h TYR 64 Cb 0.59 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2kcq h TYR 64 CO -0.66 0.95 0.64 0.00 -1.64 0.00 0.00 178.16 177.44 2kcq h ARG 65 N 0.51 1.09 -0.12 1.82 3.08 -1.67 0.58 114.38 119.67 2kcq h ARG 65 Ca 0.07 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2kcq h ARG 65 Cb 0.74 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2kcq h ARG 65 CO 0.06 0.72 -0.69 0.00 -1.07 0.00 0.00 179.97 178.98 2kcq h ALA 66 N 1.48 0.58 -0.39 0.04 0.00 -1.37 -2.36 119.26 117.23 2kcq h ALA 66 Ca 0.44 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2kcq h ALA 66 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kcq h ALA 66 CO -0.19 0.73 -0.34 0.00 0.00 0.00 0.00 179.25 179.46 2kcq h ALA 67 N 0.89 0.66 -0.85 0.00 0.00 -0.90 -2.08 119.26 116.97 2kcq h ALA 67 Ca -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kcq h ALA 67 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kcq h ALA 67 CO 0.13 0.67 0.42 0.22 0.00 0.00 0.00 179.25 180.69 2kcq h ASP 68 N 0.75 1.10 -0.07 0.00 3.58 0.17 0.52 116.42 122.47 2kcq h ASP 68 Ca 0.07 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2kcq h ASP 68 Cb 0.91 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2kcq h ASP 68 CO 0.08 0.92 -0.03 0.00 -2.88 0.00 0.00 179.24 177.34 2kcq h ALA 69 N 1.23 0.10 -0.39 -0.78 0.00 -1.38 -2.68 119.26 115.36 2kcq h ALA 69 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kcq h ALA 69 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kcq h ALA 69 CO -0.04 -0.16 0.20 0.00 0.00 0.00 0.00 179.25 179.25 2kcq h ALA 70 N 0.63 1.63 0.13 0.00 0.00 -1.15 -0.32 119.26 120.18 2kcq h ALA 70 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kcq h ALA 70 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kcq h ALA 70 CO 0.01 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.51 2kcq h ALA 71 N 1.69 -0.18 -0.23 0.00 0.00 -0.84 -2.26 119.26 117.44 2kcq h ALA 71 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kcq h ALA 71 Cb 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kcq h ALA 71 CO -0.02 -0.58 -0.08 1.96 0.00 0.00 0.00 179.25 180.53 2kcq h GLN 72 N -0.23 0.35 -0.67 0.00 4.20 -1.05 0.50 115.11 118.21 2kcq h GLN 72 Ca -0.02 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.65 2kcq h GLN 72 Cb 0.18 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2kcq h GLN 72 CO 0.03 0.45 0.40 0.93 -0.67 0.00 0.00 178.83 179.97 2kcq h GLU 73 N 0.34 0.75 0.00 1.46 4.39 -0.85 -2.35 114.58 118.31 2kcq h GLU 73 Ca 0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kcq h GLU 73 Cb 0.36 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2kcq h GLU 73 CO 0.02 0.50 -0.28 1.04 -1.16 0.00 0.00 179.01 179.12 2kcq n GLN 74 N -4.72 0.13 -2.07 2.33 3.00 -0.81 -4.92 117.38 110.31 2kcq n GLN 74 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2kcq n GLN 74 Cb 0.12 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 28.75 2kcq n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kcq n GLY 75 N 1.42 0.59 2.40 1.08 0.00 0.12 -5.06 105.19 105.73 2kcq n GLY 75 Ca 0.05 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 2kcq n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcq n LEU 76 N -0.14 0.00 -4.35 0.99 4.77 0.15 -4.98 117.00 113.44 2kcq n LEU 76 Ca 0.00 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.61 2kcq n LEU 76 Cb 0.48 0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.98 2kcq n LEU 76 CO 0.00 -0.32 -0.16 1.51 -1.33 0.00 0.00 177.39 177.09 2kcq s ASP 77 N -2.82 1.84 -0.44 -1.43 -4.77 0.57 -3.66 116.67 105.95 2kcq s ASP 77 Ca 0.07 -1.68 -0.25 0.00 -3.30 0.00 0.00 52.55 47.40 2kcq s ASP 77 Cb 0.00 0.50 0.02 0.00 -1.09 0.00 0.00 42.92 42.36 2kcq s ASP 77 CO 0.05 -0.98 0.91 -0.69 0.70 0.00 0.00 175.17 175.16 2kcq s VAL 78 N -3.46 4.52 -0.97 2.11 1.01 -1.26 -1.03 120.40 121.31 2kcq s VAL 78 Ca 0.35 0.81 0.21 0.00 0.00 0.00 0.00 61.98 63.36 2kcq s VAL 78 Cb 0.03 -4.39 -0.21 0.00 0.00 0.00 0.00 36.38 31.81 2kcq s VAL 78 CO 0.21 -0.75 0.95 1.33 0.00 0.00 0.00 175.10 176.84 2kcq n VAL 79 N 6.29 0.00 -3.96 2.92 0.24 -0.33 -4.98 118.33 118.51 2kcq n VAL 79 Ca 0.06 -0.01 0.03 0.00 -2.04 0.00 0.00 64.34 62.38 2kcq n VAL 79 Cb 0.48 0.89 0.01 0.00 -1.47 0.00 0.00 33.84 33.75 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 -3.04 -0.18 0.07 7.63 0.00 -1.22 -2.47 107.32 108.10 2kcq s GLY 80 Ca 0.08 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.97 2kcq s GLY 80 CO 0.85 5.45 -0.08 0.14 0.00 0.00 0.00 173.10 179.47 2kcq s VAL 81 N -2.04 0.66 -0.03 1.40 1.01 0.32 0.04 120.40 121.75 2kcq s VAL 81 Ca 0.29 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 2kcq s VAL 81 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2kcq s VAL 81 CO -0.02 -0.59 0.08 -0.72 0.00 0.00 0.00 175.10 173.85 2kcq s TYR 82 N -2.38 -0.09 0.03 5.22 1.13 0.17 -0.43 117.35 121.01 2kcq s TYR 82 Ca 0.00 0.22 -0.08 0.00 -1.41 0.00 0.00 57.07 55.80 2kcq s TYR 82 Cb -0.03 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.86 2kcq s TYR 82 CO -0.02 -0.05 0.17 -3.38 -2.51 0.00 0.00 175.55 169.76 2kcq s HIS 83 N 0.02 0.08 0.17 -3.49 -3.43 -0.94 -0.15 115.29 107.54 2kcq s HIS 83 Ca -0.00 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 54.00 2kcq s HIS 83 Cb -0.01 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.05 2kcq s HIS 83 CO 0.00 -0.39 0.24 -1.12 -2.00 0.00 0.00 174.74 171.47 2kcq s SER 84 N -1.97 6.04 -0.68 7.38 0.01 -1.26 -3.42 113.70 119.79 2kcq s SER 84 Ca -0.07 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2kcq s SER 84 Cb -0.02 -1.73 0.18 0.00 0.21 0.00 0.00 66.02 64.65 2kcq s SER 84 CO -0.03 0.04 0.52 -1.00 0.41 0.00 0.00 173.24 173.18 2kcq s HIS 85 N -1.79 3.49 0.02 2.43 3.76 -1.02 -4.96 115.29 117.22 2kcq s HIS 85 Ca 0.33 -2.66 -0.31 0.00 -0.15 0.00 0.00 55.06 52.27 2kcq s HIS 85 Cb -0.10 -3.29 -0.10 0.00 1.11 0.00 0.00 32.58 30.20 2kcq s HIS 85 CO 0.27 -0.85 1.94 -0.35 -0.85 0.00 0.00 174.74 174.90 2kcq n PRO 86 N 3.41 2.72 0.00 8.40 -0.04 -1.26 -2.91 135.00 145.32 2kcq n PRO 86 Ca 0.10 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 2kcq n PRO 86 Cb 0.39 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2kcq n PRO 86 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kcq n ASP 87 N 7.08 0.00 -4.84 3.54 2.03 -1.23 -4.94 116.55 118.19 2kcq n ASP 87 Ca 0.20 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.19 2kcq n ASP 87 Cb 0.38 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 2kcq n ASP 87 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kcq s HIS 88 N 0.00 3.37 0.40 -0.67 3.76 -1.14 -5.01 115.29 115.99 2kcq s HIS 88 Ca 0.00 1.47 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 2kcq s HIS 88 Cb 0.00 -2.83 0.09 0.00 1.11 0.00 0.00 32.58 30.95 2kcq s HIS 88 CO 0.00 -0.51 0.54 -2.30 -0.85 0.00 0.00 174.74 171.61 2kcq n PRO 89 N -1.69 -0.40 0.00 8.40 -0.02 -1.26 -4.49 135.00 135.54 2kcq n PRO 89 Ca 0.07 -0.92 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 2kcq n PRO 89 Cb 0.54 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 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 -3.29 0.00 -1.13 3.55 0.00 -1.26 -4.78 120.51 113.59 2kcq n ALA 90 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kcq n ALA 90 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2kcq n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcq n ARG 91 N -0.85 -3.13 -2.07 0.00 1.74 -1.26 -4.84 116.66 106.24 2kcq n ARG 91 Ca 0.00 2.37 -0.42 0.00 -0.77 0.00 0.00 57.85 59.03 2kcq n ARG 91 Cb 0.00 -2.79 -0.03 0.00 -1.02 0.00 0.00 32.46 28.62 2kcq n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kcq s PRO 92 N -4.64 4.24 0.71 5.56 0.04 -1.26 -5.02 135.00 134.63 2kcq s PRO 92 Ca 0.00 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 2kcq s PRO 92 Cb 0.00 -3.54 0.16 0.00 0.04 0.00 0.00 34.50 31.15 2kcq s PRO 92 CO 0.00 -0.64 0.97 0.43 0.04 0.00 0.00 177.00 177.81 2kcq n SER 93 N 5.32 0.45 -0.10 6.66 7.64 -1.26 -4.82 113.62 127.51 2kcq n SER 93 Ca 0.14 -1.58 -0.07 0.00 1.01 0.00 0.00 58.87 58.37 2kcq n SER 93 Cb 0.42 -0.71 0.01 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.38 0.41 -0.64 -0.43 0.00 -1.99 -1.08 119.26 114.16 2kcq h ALA 94 Ca -0.32 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2kcq h ALA 94 Cb 0.96 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2kcq h ALA 94 CO 0.26 -0.22 0.17 1.15 0.00 0.00 0.00 179.25 180.61 2kcq h THR 95 N 0.33 1.25 -0.66 0.00 2.02 -1.98 0.80 112.91 114.66 2kcq h THR 95 Ca 0.14 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2kcq h THR 95 Cb 0.07 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2kcq h THR 95 CO -0.11 0.34 0.39 0.44 0.37 0.00 0.00 175.52 176.95 2kcq h ASP 96 N 0.95 0.81 -0.29 4.18 5.19 -1.78 -0.54 116.42 124.94 2kcq h ASP 96 Ca 0.21 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 2kcq h ASP 96 Cb 0.32 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2kcq h ASP 96 CO -0.00 0.64 -0.20 0.25 -3.12 0.00 0.00 179.24 176.81 2kcq h LEU 97 N 0.90 0.68 -0.94 1.55 6.46 -0.83 -2.70 115.31 120.43 2kcq h LEU 97 Ca 0.24 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2kcq h LEU 97 Cb -0.01 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.70 2kcq h LEU 97 CO -0.04 0.97 0.36 -0.33 -0.62 0.00 0.00 178.44 178.77 2kcq h GLU 98 N 0.39 1.12 -0.63 1.25 4.39 -0.50 -2.48 114.58 118.12 2kcq h GLU 98 Ca 0.06 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kcq h GLU 98 Cb 0.74 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2kcq h GLU 98 CO 0.05 0.87 0.00 0.39 -1.16 0.00 0.00 179.01 179.17 2kcq n GLU 99 N -4.31 4.09 -2.71 2.33 1.02 -0.24 -4.69 120.64 116.14 2kcq n GLU 99 Ca 0.07 -2.80 -0.43 0.00 -0.02 0.00 0.00 57.16 53.99 2kcq n GLU 99 Cb 0.15 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 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 0.81 3.92 0.09 0.62 0.00 -0.94 -4.75 120.51 120.26 2kcq n ALA 100 Ca 0.25 -4.07 -0.00 0.00 0.00 0.00 0.00 53.44 49.61 2kcq n ALA 100 Cb 0.99 -3.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 2kcq n ALA 100 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kcq h THR 101 N 4.93 0.91 -3.33 0.00 2.02 -1.86 -3.43 112.91 112.15 2kcq h THR 101 Ca 0.39 -2.40 -0.64 0.00 0.77 0.00 0.00 66.41 64.53 2kcq h THR 101 Cb 0.84 2.39 -0.41 0.00 -1.74 0.00 0.00 68.15 69.23 2kcq h THR 101 CO 1.39 0.52 -0.63 0.72 0.37 0.00 0.00 175.52 177.89 2kcq s PHE 102 N -2.89 3.19 1.16 3.16 -0.71 -1.26 -5.10 117.98 115.54 2kcq s PHE 102 Ca 0.01 -3.18 -0.19 0.00 -1.04 0.00 0.00 56.93 52.53 2kcq s PHE 102 Cb 0.08 -2.78 0.29 0.00 -1.21 0.00 0.00 43.02 39.41 2kcq s PHE 102 CO 0.78 -0.72 0.96 -2.30 -1.34 0.00 0.00 175.22 172.60 2kcq n PRO 103 N 2.96 -3.27 0.00 1.99 -0.02 -1.26 -4.15 135.00 131.25 2kcq n PRO 103 Ca 0.07 -1.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 2kcq n PRO 103 Cb 0.32 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2kcq n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcq n GLY 104 N -4.33 2.18 3.82 -1.23 0.00 -1.26 -5.00 105.19 99.38 2kcq n GLY 104 Ca 0.14 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.52 3.23 -0.21 1.61 0.40 -1.26 -4.96 117.98 116.28 2kcq s PHE 105 Ca 0.00 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.67 2kcq s PHE 105 Cb 0.00 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 2kcq s PHE 105 CO 0.00 -0.58 0.54 0.99 0.70 0.00 0.00 175.22 176.86 2kcq s THR 106 N -2.38 5.09 -0.31 0.64 2.01 -1.03 -4.51 115.64 115.14 2kcq s THR 106 Ca 0.62 0.99 -0.18 0.00 0.31 0.00 0.00 61.69 63.43 2kcq s THR 106 Cb -0.12 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2kcq s THR 106 CO 0.27 0.16 0.52 -0.31 -0.69 0.00 0.00 174.62 174.56 2kcq s TYR 107 N 1.74 3.21 -0.26 4.92 2.02 0.15 -0.52 117.35 128.62 2kcq s TYR 107 Ca 0.25 0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 57.23 2kcq s TYR 107 Cb -0.15 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 2kcq s TYR 107 CO 0.10 -0.44 0.12 0.08 -1.57 0.00 0.00 175.55 173.84 2kcq s VAL 108 N 2.38 4.74 -0.25 0.71 1.01 0.43 0.08 120.40 129.50 2kcq s VAL 108 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2kcq s VAL 108 Cb -0.15 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2kcq s VAL 108 CO 0.12 0.31 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2kcq s ILE 109 N 1.58 3.61 -0.10 2.22 -1.09 0.17 -2.22 121.20 125.37 2kcq s ILE 109 Ca 0.06 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2kcq s ILE 109 Cb -0.15 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 2kcq s ILE 109 CO 0.06 0.28 -0.11 0.54 -1.23 0.00 0.00 174.94 174.48 2kcq s VAL 110 N 1.48 3.32 -0.28 2.92 0.11 -1.22 0.06 120.40 126.79 2kcq s VAL 110 Ca 0.04 -0.59 -0.28 0.00 -2.93 0.00 0.00 61.98 58.22 2kcq s VAL 110 Cb -0.16 -2.38 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2kcq s VAL 110 CO -0.01 0.55 1.02 -0.44 -3.33 0.00 0.00 175.10 172.89 2kcq s SER 111 N -0.12 6.96 -0.21 3.54 0.01 0.03 -2.45 113.70 121.45 2kcq s SER 111 Ca -0.00 1.13 0.02 0.00 1.31 0.00 0.00 55.95 58.40 2kcq s SER 111 Cb -0.13 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kcq s SER 111 CO 0.03 -0.75 -0.14 -0.69 0.41 0.00 0.00 173.24 172.09 2kcq s VAL 112 N 3.37 1.99 -0.72 3.43 1.01 -1.25 -0.48 120.40 127.74 2kcq s VAL 112 Ca 0.43 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2kcq s VAL 112 Cb -0.14 -1.97 0.22 0.00 0.00 0.00 0.00 36.38 34.49 2kcq s VAL 112 CO 0.11 0.24 0.70 -1.14 0.00 0.00 0.00 175.10 175.01 2kcq n ARG 113 N 4.57 2.39 -3.06 2.72 0.63 0.78 -3.55 116.66 121.14 2kcq n ARG 113 Ca -0.17 -4.58 -0.08 0.00 -0.92 0.00 0.00 57.85 52.10 2kcq n ARG 113 Cb 0.46 -2.30 0.01 0.00 0.45 0.00 0.00 32.46 31.08 2kcq n ARG 113 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kcq n ASP 114 N 1.45 -7.01 0.00 6.15 2.03 -1.26 -2.86 116.55 115.05 2kcq n ASP 114 Ca 0.25 0.63 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2kcq n ASP 114 Cb 0.38 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.55 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 0.64 1.53 3.30 0.27 0.00 -1.26 -4.90 105.19 104.76 2kcq n GLY 115 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.15 3.38 -0.03 4.61 0.00 -1.14 -4.86 121.76 123.57 2kcq s ALA 116 Ca 0.00 -2.18 -0.30 0.00 0.00 0.00 0.00 51.96 49.48 2kcq s ALA 116 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2kcq s ALA 116 CO 0.00 -1.70 1.07 -2.14 0.00 0.00 0.00 175.76 172.99 2kcq s PRO 117 N 1.48 4.45 0.00 0.00 0.02 -1.26 -0.16 135.00 139.54 2kcq s PRO 117 Ca 0.03 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.58 2kcq s PRO 117 Cb -0.24 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.79 2kcq s PRO 117 CO 0.03 -0.25 0.21 -1.91 -0.33 0.00 0.00 177.00 174.75 2kcq n GLU 118 N 4.52 0.00 -3.61 5.54 2.13 0.37 -4.94 120.64 124.64 2kcq n GLU 118 Ca 0.08 0.15 -0.11 0.00 0.66 0.00 0.00 57.16 57.94 2kcq n GLU 118 Cb 0.48 -0.81 -0.04 0.00 0.27 0.00 0.00 31.44 31.34 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 -3.25 -1.00 -0.09 4.31 0.00 -1.26 -4.97 121.76 115.50 2kcq s ALA 119 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2kcq s ALA 119 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2kcq s ALA 119 CO 0.00 -0.64 -0.08 -0.48 0.00 0.00 0.00 175.76 174.55 2kcq s LEU 120 N -2.76 3.04 -0.03 0.00 -0.00 -1.26 -0.79 118.68 116.88 2kcq s LEU 120 Ca 0.02 -0.11 0.07 0.00 -0.00 0.00 0.00 54.13 54.11 2kcq s LEU 120 Cb 0.01 -1.67 -0.01 0.00 -0.00 0.00 0.00 46.19 44.52 2kcq s LEU 120 CO -0.12 0.30 -0.23 0.42 -0.00 0.00 0.00 176.35 176.72 2kcq s THR 121 N -0.44 1.84 -0.10 5.48 -4.23 0.11 -4.95 115.64 113.35 2kcq s THR 121 Ca 0.06 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2kcq s THR 121 Cb -0.12 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2kcq s THR 121 CO 0.02 0.52 -0.04 0.00 -0.54 0.00 0.00 174.62 174.58 2kcq s ALA 122 N -0.37 3.07 0.02 3.99 0.00 -1.26 0.43 121.76 127.64 2kcq s ALA 122 Ca 0.04 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2kcq s ALA 122 Cb -0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2kcq s ALA 122 CO 0.01 0.47 -0.07 -1.58 0.00 0.00 0.00 175.76 174.58 2kcq s TRP 123 N -0.48 0.65 -0.17 0.00 0.52 0.11 -0.82 118.94 118.75 2kcq s TRP 123 Ca 0.08 -0.31 -0.04 0.00 0.02 0.00 0.00 56.10 55.86 2kcq s TRP 123 Cb -0.12 -0.40 -0.02 0.00 -1.15 0.00 0.00 33.47 31.78 2kcq s TRP 123 CO 0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 176.95 176.91 2kcq s ALA 124 N -0.77 2.94 -0.05 0.98 0.00 0.34 -0.67 121.76 124.52 2kcq s ALA 124 Ca -0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.78 2kcq s ALA 124 Cb -0.06 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2kcq s ALA 124 CO 0.00 0.08 0.76 -1.17 0.00 0.00 0.00 175.76 175.43 2kcq s LEU 125 N 0.60 4.33 0.26 0.00 2.96 -1.26 -0.11 118.68 125.46 2kcq s LEU 125 Ca -0.03 1.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 2kcq s LEU 125 Cb -0.14 -3.18 -0.10 0.00 0.50 0.00 0.00 46.19 43.26 2kcq s LEU 125 CO 0.03 -0.13 1.40 0.00 -1.32 0.00 0.00 176.35 176.33 2kcq s ALA 126 N 0.79 3.59 0.63 5.97 0.00 -0.66 -4.49 121.76 127.59 2kcq s ALA 126 Ca 0.40 1.29 0.35 0.00 0.00 0.00 0.00 51.96 54.01 2kcq s ALA 126 Cb -0.18 -3.54 1.98 0.00 0.00 0.00 0.00 23.12 21.38 2kcq s ALA 126 CO 0.20 -0.71 2.21 -1.00 0.00 0.00 0.00 175.76 176.46 2kcq h PRO 127 N 4.80 0.00 -0.00 0.00 0.13 -1.96 0.18 132.00 135.15 2kcq h PRO 127 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kcq h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kcq h PRO 127 CO 0.76 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.21 2kcq n ASP 128 N -3.40 0.32 -1.56 1.44 9.92 -1.26 -4.89 116.55 117.13 2kcq n ASP 128 Ca -0.02 -0.51 -0.17 0.00 -0.53 0.00 0.00 54.79 53.56 2kcq n ASP 128 Cb 0.19 -0.12 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 2kcq n ASP 128 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kcq n ARG 129 N -1.03 -1.25 -0.01 -1.24 3.00 0.62 -4.91 116.66 111.85 2kcq n ARG 129 Ca 0.15 0.98 -0.13 0.00 -0.01 0.00 0.00 57.85 58.85 2kcq n ARG 129 Cb 0.25 -5.29 -0.10 0.00 0.00 0.00 0.00 32.46 27.32 2kcq n ARG 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2kcq h SER 130 N 0.00 -0.04 -2.41 0.55 4.64 -1.90 -3.49 113.55 110.89 2kcq h SER 130 Ca -0.37 -0.55 0.04 0.00 -0.47 0.00 0.00 61.79 60.44 2kcq h SER 130 Cb 1.18 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2kcq h SER 130 CO 0.49 0.55 0.34 -1.84 -0.87 0.00 0.00 176.83 175.51 2kcq n GLU 131 N -4.83 0.75 -4.09 4.77 0.28 -1.26 -5.06 120.64 111.19 2kcq n GLU 131 Ca -0.09 -1.54 -0.27 0.00 -0.16 0.00 0.00 57.16 55.11 2kcq n GLU 131 Cb 0.30 1.98 -0.06 0.00 1.43 0.00 0.00 31.44 35.09 2kcq n GLU 131 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2kcq s PHE 132 N -3.18 3.12 0.01 -1.84 0.40 -1.26 -1.65 117.98 113.58 2kcq s PHE 132 Ca 0.15 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 2kcq s PHE 132 Cb -0.03 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 2kcq s PHE 132 CO 0.07 0.52 -0.22 -1.01 0.70 0.00 0.00 175.22 175.28 2kcq s HIS 133 N -1.69 1.95 0.27 0.36 3.76 0.84 -4.95 115.29 115.83 2kcq s HIS 133 Ca 0.30 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 2kcq s HIS 133 Cb -0.10 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.28 2kcq s HIS 133 CO 0.23 0.04 1.25 0.50 -0.85 0.00 0.00 174.74 175.90 2kcq s ARG 134 N -0.86 4.44 0.10 1.40 6.06 -1.26 -0.51 118.95 128.33 2kcq s ARG 134 Ca 0.09 2.05 0.08 0.00 -2.50 0.00 0.00 55.73 55.44 2kcq s ARG 134 Cb -0.09 -3.15 -0.04 0.00 0.06 0.00 0.00 34.95 31.73 2kcq s ARG 134 CO 0.01 -0.11 -0.13 -2.00 -2.50 0.00 0.00 175.30 170.57 2kcq s GLU 135 N -1.08 2.03 0.06 5.12 2.56 0.00 -4.81 118.70 122.59 2kcq s GLU 135 Ca 0.51 -1.06 0.03 0.00 0.00 0.00 0.00 54.97 54.45 2kcq s GLU 135 Cb -0.36 -2.24 -0.04 0.00 2.00 0.00 0.00 34.13 33.48 2kcq s GLU 135 CO 0.44 0.50 0.03 -0.51 -0.56 0.00 0.00 175.26 175.17 2kcq s ASP 136 N -2.13 5.25 -0.38 -1.70 1.01 -1.26 -4.36 116.67 113.09 2kcq s ASP 136 Ca 0.20 -0.07 -0.19 0.00 0.71 0.00 0.00 52.55 53.19 2kcq s ASP 136 Cb -0.11 -1.34 0.01 0.00 1.01 0.00 0.00 42.92 42.49 2kcq s ASP 136 CO 0.12 0.20 0.58 -0.63 0.21 0.00 0.00 175.17 175.65 2kcq s ILE 137 N -1.29 4.93 0.12 0.77 -1.09 -1.26 -1.03 121.20 122.35 2kcq s ILE 137 Ca 0.26 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 59.05 2kcq s ILE 137 Cb -0.12 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2kcq s ILE 137 CO 0.18 -0.36 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.72 2kcq s VAL 138 N 2.60 1.17 -0.12 2.92 1.01 -0.25 -5.00 120.40 122.72 2kcq s VAL 138 Ca 0.21 -1.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.25 2kcq s VAL 138 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2kcq s VAL 138 CO 0.15 -0.51 0.62 -0.13 0.00 0.00 0.00 175.10 175.24 2kcq s ARG 139 N -2.83 4.34 1.22 2.72 0.52 -1.26 -1.40 118.95 122.26 2kcq s ARG 139 Ca 0.08 0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 55.81 2kcq s ARG 139 Cb -0.03 -3.49 0.29 0.00 0.52 0.00 0.00 34.95 32.24 2kcq s ARG 139 CO 0.02 -0.02 1.03 -1.25 0.02 0.00 0.00 175.30 175.10 2kcq s PRO 140 N 1.14 -1.36 0.59 3.54 0.04 -1.26 -4.94 135.00 132.74 2kcq s PRO 140 Ca 0.32 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 2kcq s PRO 140 Cb -0.16 -1.54 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2kcq s PRO 140 CO 0.13 -3.90 1.19 -0.25 0.04 0.00 0.00 177.00 174.21 2kcq n ASP 141 N -4.98 1.79 -2.07 6.66 9.92 -1.26 -4.82 116.55 121.80 2kcq n ASP 141 Ca 0.08 0.88 -0.05 0.00 -0.53 0.00 0.00 54.79 55.16 2kcq n ASP 141 Cb 0.58 -1.50 -0.07 0.00 -0.64 0.00 0.00 41.12 39.49 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 -1.24 1.01 0.00 -0.24 -0.04 -1.26 -2.20 135.00 131.04 2kcq n PRO 142 Ca 0.13 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2kcq n PRO 142 Cb 0.46 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 2kcq n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kcq n GLU 143 N 2.43 0.00 -3.31 0.54 0.28 -1.26 -5.09 120.64 114.22 2kcq n GLU 143 Ca 0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 57.00 2kcq n GLU 143 Cb 0.47 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.35 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kcq n ALA 144 N -1.03 -2.66 -1.91 -1.84 0.00 -0.93 -4.84 120.51 107.31 2kcq n ALA 144 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 2kcq n ALA 144 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2kcq n ALA 144 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kcq s PRO 145 N -3.29 4.20 0.05 0.00 0.02 -1.26 -5.00 135.00 129.72 2kcq s PRO 145 Ca 0.15 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2kcq s PRO 145 Cb -0.03 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2kcq s PRO 145 CO 0.82 -0.64 0.01 1.47 -0.33 0.00 0.00 177.00 178.33 2kcq n LEU 146 N 4.23 0.00 -4.94 -5.54 -0.00 -1.26 -5.09 117.00 104.39 2kcq n LEU 146 Ca 0.14 -0.29 -0.27 0.00 -0.00 0.00 0.00 56.01 55.59 2kcq n LEU 146 Cb 0.38 0.02 0.13 0.00 -0.00 0.00 0.00 43.42 43.96 2kcq n LEU 146 CO 0.62 -0.11 0.73 -0.70 -0.00 0.00 0.00 177.39 177.93 2kcq s GLU 147 N -2.18 1.37 0.00 1.47 2.12 -1.26 -5.10 118.70 115.12 2kcq s GLU 147 Ca 0.01 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2kcq s GLU 147 Cb -0.00 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2kcq s GLU 147 CO 0.00 -1.83 0.00 0.72 -0.54 0.00 0.00 175.26 173.61 2kcq n HIS 148 N -3.31 -2.88 -2.25 5.30 8.25 -1.26 -4.90 115.22 114.17 2kcq n HIS 148 Ca 0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 2kcq n HIS 148 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.36 3.80 1.16 4.41 -0.00 -1.26 -4.61 115.22 117.35 2kcq n HIS 149 Ca 0.00 -2.37 0.12 0.00 -0.00 0.00 0.00 57.72 55.47 2kcq n HIS 149 Cb 0.00 -2.57 0.23 0.00 -0.00 0.00 0.00 29.99 27.65 2kcq n HIS 149 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcq n HIS 150 N 9.96 0.00 -2.15 1.57 -0.00 -1.26 -4.58 115.22 118.75 2kcq n HIS 150 Ca 0.48 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.87 2kcq n HIS 150 Cb 0.45 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 30.34 2kcq n HIS 150 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcq s HIS 151 N -2.45 1.89 -0.30 1.57 2.46 -1.26 -3.81 115.29 113.38 2kcq s HIS 151 Ca 0.23 0.44 -0.09 0.00 0.47 0.00 0.00 55.06 56.12 2kcq s HIS 151 Cb 0.19 -4.19 0.01 0.00 -0.13 0.00 0.00 32.58 28.46 2kcq s HIS 151 CO 0.53 -1.99 0.32 1.58 -2.47 0.00 0.00 174.74 172.71 2kcq n HIS 152 N 12.55 -2.81 -0.25 3.88 -0.00 -1.26 -5.27 115.22 122.07 2kcq n HIS 152 Ca 0.30 1.17 0.00 0.00 -0.00 0.00 0.00 57.72 59.18 2kcq n HIS 152 Cb 0.49 -3.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.00 2kcq n HIS 152 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92