#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 1.86 0.32 2.12 3.01 -0.94 -0.38 119.74 125.73 2kcq s LYS 2 Ca 0.00 -0.43 -0.18 0.00 -1.01 0.00 0.00 55.97 54.35 2kcq s LYS 2 Cb 0.00 -1.88 0.03 0.00 -1.01 0.00 0.00 37.83 34.97 2kcq s LYS 2 CO 0.00 -0.28 0.72 -0.08 0.51 0.00 0.00 175.35 176.23 2kcq s THR 3 N 1.59 0.00 0.14 2.17 -1.32 -0.90 -2.85 115.64 114.47 2kcq s THR 3 Ca 0.04 -1.05 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 2kcq s THR 3 Cb -0.13 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 2kcq s THR 3 CO -0.09 0.00 0.32 0.42 -2.21 0.00 0.00 174.62 173.06 2kcq s THR 4 N -3.25 5.26 0.54 5.08 -4.23 -1.26 -4.16 115.64 113.61 2kcq s THR 4 Ca 0.14 -0.29 0.25 0.00 -1.18 0.00 0.00 61.69 60.61 2kcq s THR 4 Cb -0.05 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.49 2kcq s THR 4 CO 0.09 -0.01 2.03 1.55 -0.54 0.00 0.00 174.62 177.74 2kcq h PRO 5 N 2.56 0.00 -0.50 3.99 0.13 -1.99 -0.61 132.00 135.58 2kcq h PRO 5 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2kcq h PRO 5 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2kcq h PRO 5 CO 0.72 0.00 0.29 0.22 -0.23 0.00 0.00 178.00 178.99 2kcq h ASP 6 N 0.00 0.45 -0.44 1.44 3.58 -1.99 0.33 116.42 119.79 2kcq h ASP 6 Ca 0.19 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 2kcq h ASP 6 Cb 0.80 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2kcq h ASP 6 CO -0.00 0.32 0.11 0.40 -2.88 0.00 0.00 179.24 177.19 2kcq h ILE 7 N 0.57 1.23 -0.84 2.25 1.08 -1.52 -1.81 117.51 118.46 2kcq h ILE 7 Ca 0.21 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.95 2kcq h ILE 7 Cb 0.05 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 34.65 2kcq h ILE 7 CO -0.11 0.28 0.52 -0.07 -0.69 0.00 0.00 178.15 178.08 2kcq h LEU 8 N 0.57 0.80 -0.37 1.44 3.38 -0.96 -0.04 115.31 120.14 2kcq h LEU 8 Ca 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2kcq h LEU 8 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2kcq h LEU 8 CO 0.00 0.51 0.13 -0.78 0.09 0.00 0.00 178.44 178.38 2kcq h ASP 9 N 0.93 0.53 -0.76 -0.43 3.58 -0.74 -2.22 116.42 117.30 2kcq h ASP 9 Ca 0.37 -0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.71 2kcq h ASP 9 Cb 0.20 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 2kcq h ASP 9 CO -0.18 0.58 0.50 1.56 -2.88 0.00 0.00 179.24 178.82 2kcq h GLN 10 N 0.45 0.72 0.00 0.28 4.20 -0.42 -0.84 115.11 119.50 2kcq h GLN 10 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kcq h GLN 10 Cb 0.23 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2kcq h GLN 10 CO -0.01 0.48 -0.00 0.82 -0.67 0.00 0.00 178.83 179.45 2kcq h ILE 11 N 0.75 1.21 -0.45 2.54 2.04 -0.51 0.17 117.51 123.25 2kcq h ILE 11 Ca 0.34 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2kcq h ILE 11 Cb 0.36 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2kcq h ILE 11 CO -0.12 0.16 -0.04 0.08 0.00 0.00 0.00 178.15 178.22 2kcq h ARG 12 N -0.26 0.77 -0.24 2.37 -0.00 -1.04 0.83 114.38 116.81 2kcq h ARG 12 Ca -0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 59.98 59.67 2kcq h ARG 12 Cb 0.26 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.97 30.15 2kcq h ARG 12 CO 0.00 0.81 -0.19 0.28 -0.00 0.00 0.00 179.97 180.87 2kcq h VAL 13 N 0.71 1.31 -0.16 0.08 2.07 -1.12 -2.68 116.25 116.47 2kcq h VAL 13 Ca 0.13 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2kcq h VAL 13 Cb 0.50 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2kcq h VAL 13 CO 0.03 0.41 -0.04 -0.74 0.02 0.00 0.00 177.57 177.25 2kcq h HIS 14 N 0.26 0.23 -0.44 1.57 2.76 -0.32 -0.63 115.15 118.58 2kcq h HIS 14 Ca 0.04 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 2kcq h HIS 14 Cb 0.73 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 2kcq h HIS 14 CO 0.07 0.28 -0.16 0.78 -1.30 0.00 0.00 177.93 177.60 2kcq h GLY 15 N 0.56 0.91 1.63 5.26 0.00 -0.71 -1.06 103.07 109.66 2kcq h GLY 15 Ca 0.05 -0.74 -0.17 0.00 0.00 0.00 0.00 47.33 46.47 2kcq h GLY 15 CO 0.01 0.68 -0.68 0.00 0.00 0.00 0.00 176.54 176.55 2kcq h ALA 16 N 1.07 0.67 -0.67 3.60 0.00 -1.00 -2.89 119.26 120.04 2kcq h ALA 16 Ca 0.11 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2kcq h ALA 16 Cb 0.68 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kcq h ALA 16 CO 0.05 0.75 0.21 0.22 0.00 0.00 0.00 179.25 180.48 2kcq h ASP 17 N 0.26 0.96 -0.44 0.00 3.58 -0.97 -3.02 116.42 116.79 2kcq h ASP 17 Ca -0.02 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 2kcq h ASP 17 Cb 1.23 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2kcq h ASP 17 CO 0.11 0.89 0.20 0.00 -2.88 0.00 0.00 179.24 177.57 2kcq h ALA 18 N 1.24 0.56 -2.34 -0.78 0.00 -1.05 -3.44 119.26 113.44 2kcq h ALA 18 Ca 0.22 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.49 2kcq h ALA 18 Cb 0.28 -0.17 0.15 0.00 0.00 0.00 0.00 17.79 18.04 2kcq h ALA 18 CO -0.01 0.14 0.31 0.71 0.00 0.00 0.00 179.25 180.39 2kcq s TYR 19 N -5.67 2.33 -1.67 0.00 1.51 -1.10 -2.19 117.35 110.55 2kcq s TYR 19 Ca -0.13 1.62 0.21 0.00 -1.01 0.00 0.00 57.07 57.76 2kcq s TYR 19 Cb 0.11 -3.15 1.17 0.00 -0.11 0.00 0.00 41.96 39.97 2kcq s TYR 19 CO 0.75 -2.07 1.68 -0.35 -1.11 0.00 0.00 175.55 174.45 2kcq n PRO 20 N -3.53 0.47 -0.65 -1.71 -0.04 -1.26 -4.97 135.00 123.30 2kcq n PRO 20 Ca 0.10 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2kcq n PRO 20 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 2kcq n PRO 20 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcq n GLU 21 N -1.16 -1.21 -3.19 0.54 1.02 -0.93 -5.04 120.64 110.67 2kcq n GLU 21 Ca 0.13 -0.83 -0.36 0.00 -0.02 0.00 0.00 57.16 56.08 2kcq n GLU 21 Cb 0.13 -0.65 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 2kcq n GLU 21 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kcq s GLU 22 N -4.18 4.17 0.00 3.49 2.02 -1.26 -4.88 118.70 118.06 2kcq s GLU 22 Ca 0.32 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.05 2kcq s GLU 22 Cb -0.02 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.28 2kcq s GLU 22 CO 0.23 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.37 2kcq n GLY 23 N 0.84 0.06 3.05 -1.39 0.00 -1.26 -4.81 105.19 101.68 2kcq n GLY 23 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.50 0.16 3.67 0.00 0.00 -0.82 -3.36 105.19 102.34 2kcq n GLY 25 Ca 0.01 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.65 2.93 -0.29 1.61 0.08 0.36 -1.39 117.98 119.63 2kcq s PHE 26 Ca 0.00 -0.06 -0.13 0.00 0.12 0.00 0.00 56.93 56.86 2kcq s PHE 26 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2kcq s PHE 26 CO 0.00 0.48 0.29 -0.51 -0.10 0.00 0.00 175.22 175.37 2kcq s LEU 27 N -2.39 4.10 -0.16 -0.37 1.43 0.71 -2.63 118.68 119.37 2kcq s LEU 27 Ca 0.25 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2kcq s LEU 27 Cb -0.11 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2kcq s LEU 27 CO 0.18 -0.15 0.06 -0.76 0.23 0.00 0.00 176.35 175.91 2kcq s LEU 28 N 1.91 3.85 0.00 1.79 1.43 -0.25 -1.59 118.68 125.82 2kcq s LEU 28 Ca 0.11 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2kcq s LEU 28 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2kcq s LEU 28 CO 0.11 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.53 2kcq n GLY 29 N 3.13 -0.82 3.15 -3.19 0.00 0.27 -0.69 105.19 107.03 2kcq n GLY 29 Ca -0.17 -0.25 -0.10 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 0.62 -0.18 2.61 -4.23 -0.38 -0.19 115.64 109.89 2kcq s THR 30 Ca 0.00 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 58.45 2kcq s THR 30 Cb 0.00 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2kcq s THR 30 CO 0.00 -0.85 0.62 -0.69 -0.54 0.00 0.00 174.62 173.15 2kcq s VAL 31 N -3.48 5.04 0.29 2.29 1.01 -1.26 -0.30 120.40 123.98 2kcq s VAL 31 Ca 0.09 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2kcq s VAL 31 Cb 0.04 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2kcq s VAL 31 CO -0.05 0.15 0.13 -0.89 0.00 0.00 0.00 175.10 174.44 2kcq s THR 32 N 1.68 0.42 0.00 3.92 2.01 0.47 -4.93 115.64 119.21 2kcq s THR 32 Ca 0.29 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.29 2kcq s THR 32 Cb -0.16 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.79 2kcq s THR 32 CO 0.11 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.37 2kcq n ASP 33 N -0.74 0.00 -2.70 3.53 2.03 -1.26 -1.18 116.55 116.23 2kcq n ASP 33 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.25 2kcq n ASP 33 Cb 0.65 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.15 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 4.73 -1.90 -0.05 1.67 2.03 -1.26 -4.92 116.55 116.85 2kcq n ASP 34 Ca 0.00 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.58 2kcq n ASP 34 Cb 0.00 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 41.75 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 -0.15 1.33 3.71 0.27 0.00 -1.16 -5.10 105.19 104.10 2kcq n GLY 35 Ca -0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.31 4.66 -0.19 1.61 -1.08 -0.32 -4.96 116.67 114.07 2kcq s ASP 36 Ca 0.00 -0.74 -0.02 0.00 -0.52 0.00 0.00 52.55 51.27 2kcq s ASP 36 Cb 0.00 -0.77 0.00 0.00 -1.46 0.00 0.00 42.92 40.69 2kcq s ASP 36 CO 0.00 -0.22 -0.11 0.20 0.52 0.00 0.00 175.17 175.56 2kcq s ASN 37 N -3.80 3.86 -0.44 -0.34 0.01 -1.26 -0.39 114.94 112.58 2kcq s ASN 37 Ca 0.36 -0.47 -0.14 0.00 -0.71 0.00 0.00 52.86 51.91 2kcq s ASN 37 Cb -0.03 -1.63 0.06 0.00 0.41 0.00 0.00 41.25 40.05 2kcq s ASN 37 CO 0.22 0.01 0.32 -0.60 -1.51 0.00 0.00 177.10 175.55 2kcq s ARG 38 N 1.25 2.88 -0.27 -0.60 3.52 0.59 -2.22 118.95 124.10 2kcq s ARG 38 Ca 0.03 -1.27 -0.20 0.00 -0.13 0.00 0.00 55.73 54.17 2kcq s ARG 38 Cb -0.14 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.25 2kcq s ARG 38 CO -0.05 -0.91 0.60 0.08 -0.81 0.00 0.00 175.30 174.21 2kcq s VAL 39 N 1.60 4.99 -0.02 7.11 1.01 -1.13 -1.25 120.40 132.71 2kcq s VAL 39 Ca 0.04 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.06 2kcq s VAL 39 Cb -0.22 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 2kcq s VAL 39 CO 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 175.10 175.28 2kcq n ALA 40 N 5.72 2.18 -2.54 5.51 0.00 0.13 -4.71 120.51 126.80 2kcq n ALA 40 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 2kcq n ALA 40 Cb 0.49 -0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.43 0.37 0.08 0.00 0.00 -0.01 -5.02 121.76 114.74 2kcq s ALA 41 Ca -0.03 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.11 2kcq s ALA 41 Cb 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 2kcq s ALA 41 CO 0.29 -0.25 -0.23 -0.51 0.00 0.00 0.00 175.76 175.06 2kcq s LEU 42 N -2.19 2.24 -0.12 0.00 1.43 -1.26 -1.09 118.68 117.69 2kcq s LEU 42 Ca -0.04 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2kcq s LEU 42 Cb -0.01 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.20 2kcq s LEU 42 CO -0.05 0.15 0.25 -2.28 0.23 0.00 0.00 176.35 174.66 2kcq s HIS 43 N -0.96 -0.39 -0.05 0.29 2.46 -1.08 -4.97 115.29 110.58 2kcq s HIS 43 Ca 0.09 0.91 -0.25 0.00 0.47 0.00 0.00 55.06 56.28 2kcq s HIS 43 Cb -0.10 -0.03 -0.03 0.00 -0.13 0.00 0.00 32.58 32.29 2kcq s HIS 43 CO 0.04 -0.32 0.77 0.50 -2.47 0.00 0.00 174.74 173.26 2kcq s ARG 44 N 2.13 4.46 -0.69 2.88 3.52 -1.26 -0.49 118.95 129.51 2kcq s ARG 44 Ca -0.01 1.01 -0.25 0.00 -0.13 0.00 0.00 55.73 56.35 2kcq s ARG 44 Cb -0.12 -3.46 0.04 0.00 -1.56 0.00 0.00 34.95 29.86 2kcq s ARG 44 CO -0.08 0.02 1.14 0.00 -0.81 0.00 0.00 175.30 175.57 2kcq s ALA 45 N 0.91 2.92 -0.40 6.12 0.00 -1.21 -4.90 121.76 125.20 2kcq s ALA 45 Ca 0.41 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2kcq s ALA 45 Cb -0.18 -4.07 0.11 0.00 0.00 0.00 0.00 23.12 18.98 2kcq s ALA 45 CO 0.20 -3.00 0.14 0.99 0.00 0.00 0.00 175.76 174.09 2kcq s THR 46 N 4.98 2.11 -1.25 0.00 2.01 -1.26 -4.75 115.64 117.47 2kcq s THR 46 Ca 0.31 -2.55 -0.11 0.00 0.31 0.00 0.00 61.69 59.65 2kcq s THR 46 Cb -0.11 -2.52 0.17 0.00 0.01 0.00 0.00 72.50 70.05 2kcq s THR 46 CO 0.14 -0.70 1.72 -0.46 -0.69 0.00 0.00 174.62 174.63 2kcq n ASN 47 N 3.90 5.17 -0.06 3.53 0.23 -1.26 -4.52 115.26 122.26 2kcq n ASN 47 Ca 0.04 -3.07 -0.07 0.00 -0.53 0.00 0.00 54.58 50.94 2kcq n ASN 47 Cb 0.38 -1.50 -0.02 0.00 -2.08 0.00 0.00 39.78 36.55 2kcq n ASN 47 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kcq n ARG 48 N 4.38 0.41 -0.01 -3.83 5.12 -1.26 -4.88 116.66 116.59 2kcq n ARG 48 Ca 0.38 0.16 0.01 0.00 -1.93 0.00 0.00 57.85 56.48 2kcq n ARG 48 Cb 0.38 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 30.40 2kcq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kcq n ARG 49 N -4.24 1.07 -0.36 5.56 1.74 -1.26 -4.61 116.66 114.56 2kcq n ARG 49 Ca -0.12 -0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 56.90 2kcq n ARG 49 Cb 0.41 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2kcq n ARG 49 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kcq n SER 50 N -1.92 4.59 -0.00 0.55 2.88 -1.26 -4.22 113.62 114.23 2kcq n SER 50 Ca -0.05 -2.32 -0.00 0.00 -1.33 0.00 0.00 58.87 55.17 2kcq n SER 50 Cb 0.37 -0.91 -0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2kcq n SER 50 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kcq h GLU 51 N 0.69 0.00 -0.97 -1.46 4.22 -1.91 -3.36 114.58 111.79 2kcq h GLU 51 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2kcq h GLU 51 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kcq h GLU 51 CO 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.88 2kcq n GLN 52 N -2.17 0.93 0.25 1.92 10.64 -1.25 -4.19 117.38 123.51 2kcq n GLN 52 Ca -0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 2kcq n GLN 52 Cb 0.00 -1.33 -0.05 0.00 -0.86 0.00 0.00 30.24 28.00 2kcq n GLN 52 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2kcq h ARG 53 N 0.09 -0.64 0.00 2.61 2.43 -1.83 -3.39 114.38 113.65 2kcq h ARG 53 Ca 0.00 0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 2kcq h ARG 53 Cb 0.60 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 2kcq h ARG 53 CO 0.00 -0.43 -2.30 2.41 -1.51 0.00 0.00 179.97 178.14 2kcq n THR 54 N -4.39 1.30 -3.44 0.20 -1.04 -1.26 -5.07 114.28 100.58 2kcq n THR 54 Ca -0.08 -0.71 -0.04 0.00 -2.04 0.00 0.00 64.05 61.18 2kcq n THR 54 Cb 0.26 -0.76 0.01 0.00 -1.82 0.00 0.00 70.33 68.03 2kcq n THR 54 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2kcq n ARG 55 N -2.84 0.51 -2.78 -2.82 1.85 -1.26 -5.13 116.66 104.19 2kcq n ARG 55 Ca -0.34 -1.01 -0.41 0.00 -1.00 0.00 0.00 57.85 55.09 2kcq n ARG 55 Cb 1.06 1.28 -0.04 0.00 -1.05 0.00 0.00 32.46 33.70 2kcq n ARG 55 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2kcq s ARG 56 N -2.04 4.64 0.24 2.89 3.52 -1.26 -3.84 118.95 123.10 2kcq s ARG 56 Ca 0.08 1.37 -0.04 0.00 -0.13 0.00 0.00 55.73 57.01 2kcq s ARG 56 Cb -0.02 -3.39 0.42 0.00 -1.56 0.00 0.00 34.95 30.40 2kcq s ARG 56 CO 0.05 0.18 1.78 0.10 -0.81 0.00 0.00 175.30 176.60 2kcq h TYR 57 N 5.82 0.72 0.00 5.12 -0.00 -1.81 -3.45 116.97 123.38 2kcq h TYR 57 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 2kcq h TYR 57 Cb 1.21 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 37.74 2kcq h TYR 57 CO 0.65 0.23 0.00 -0.85 -0.00 0.00 0.00 178.16 178.20 2kcq n GLU 58 N -4.84 0.00 0.00 0.10 0.28 -1.26 -1.53 120.64 113.39 2kcq n GLU 58 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2kcq n GLU 58 Cb 0.34 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.08 2kcq n GLU 58 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2kcq n LEU 59 N 0.00 0.00 0.00 -1.84 0.00 -1.26 -5.14 117.00 108.76 2kcq n LEU 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2kcq n LEU 59 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2kcq n LEU 59 CO 0.00 -0.15 0.00 0.35 0.00 0.00 0.00 177.39 177.59 2kcq n THR 60 N -1.70 0.00 -4.16 1.96 -2.24 -0.58 -5.13 114.28 102.42 2kcq n THR 60 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2kcq n THR 60 Cb 0.00 -1.69 -0.08 0.00 -2.10 0.00 0.00 70.33 66.46 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcq s ALA 61 N -3.37 0.96 -2.40 6.98 0.00 -1.26 -4.59 121.76 118.08 2kcq s ALA 61 Ca 0.00 -1.58 0.28 0.00 0.00 0.00 0.00 51.96 50.66 2kcq s ALA 61 Cb 0.00 1.31 1.15 0.00 0.00 0.00 0.00 23.12 25.59 2kcq s ALA 61 CO 0.00 -0.68 1.80 -3.47 0.00 0.00 0.00 175.76 173.41 2kcq n ASP 62 N -0.64 1.27 -0.16 0.00 2.03 -1.26 -4.08 116.55 113.71 2kcq n ASP 62 Ca 0.02 -1.44 0.06 0.00 0.52 0.00 0.00 54.79 53.95 2kcq n ASP 62 Cb 0.64 -0.01 0.36 0.00 -0.72 0.00 0.00 41.12 41.39 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 1.96 0.64 -0.36 1.67 3.32 -1.93 -0.46 116.42 121.26 2kcq h ASP 63 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2kcq h ASP 63 Cb 0.42 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2kcq h ASP 63 CO 0.00 0.42 0.15 0.22 -1.72 0.00 0.00 179.24 178.32 2kcq h TYR 64 N 0.73 0.54 -0.46 4.55 3.20 -2.00 0.19 116.97 123.72 2kcq h TYR 64 Ca 0.29 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2kcq h TYR 64 Cb 0.22 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2kcq h TYR 64 CO -0.00 0.48 0.09 0.00 -1.64 0.00 0.00 178.16 177.09 2kcq h ARG 65 N 0.44 0.75 -0.45 1.82 3.08 -1.52 0.57 114.38 119.07 2kcq h ARG 65 Ca 0.12 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2kcq h ARG 65 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2kcq h ARG 65 CO -0.01 0.76 0.09 0.00 -1.07 0.00 0.00 179.97 179.74 2kcq h ALA 66 N 0.96 1.32 -0.42 0.04 0.00 -0.98 0.36 119.26 120.54 2kcq h ALA 66 Ca 0.14 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2kcq h ALA 66 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kcq h ALA 66 CO 0.01 0.48 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 2kcq h ALA 67 N 1.44 0.60 -0.35 0.00 0.00 -0.60 -1.89 119.26 118.46 2kcq h ALA 67 Ca 0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2kcq h ALA 67 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kcq h ALA 67 CO 0.00 0.66 -0.04 0.22 0.00 0.00 0.00 179.25 180.09 2kcq h ASP 68 N 0.79 0.63 0.12 0.00 3.58 -0.21 0.33 116.42 121.66 2kcq h ASP 68 Ca 0.08 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2kcq h ASP 68 Cb 0.90 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kcq h ASP 68 CO 0.08 0.82 -0.06 0.00 -2.88 0.00 0.00 179.24 177.20 2kcq h ALA 69 N 0.84 -0.17 -0.24 -0.78 0.00 -0.30 0.25 119.26 118.86 2kcq h ALA 69 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kcq h ALA 69 Cb 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kcq h ALA 69 CO 0.03 -0.58 0.04 0.00 0.00 0.00 0.00 179.25 178.73 2kcq h ALA 70 N 0.68 1.62 -0.09 0.00 0.00 -1.33 -0.06 119.26 120.07 2kcq h ALA 70 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2kcq h ALA 70 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kcq h ALA 70 CO 0.03 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.60 2kcq h ALA 71 N 1.70 0.12 -0.88 0.00 0.00 -0.26 -1.48 119.26 118.45 2kcq h ALA 71 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kcq h ALA 71 Cb 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2kcq h ALA 71 CO -0.00 -0.29 0.56 1.96 0.00 0.00 0.00 179.25 181.49 2kcq h GLN 72 N -0.02 1.03 -0.98 0.00 4.20 0.18 0.45 115.11 119.97 2kcq h GLN 72 Ca 0.03 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.74 2kcq h GLN 72 Cb 0.18 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 2kcq h GLN 72 CO -0.00 0.68 0.64 0.93 -0.67 0.00 0.00 178.83 180.41 2kcq h GLU 73 N 1.06 1.11 0.00 1.46 5.08 -0.80 -2.04 114.58 120.44 2kcq h GLU 73 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2kcq h GLU 73 Cb 0.08 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2kcq h GLU 73 CO -0.14 0.73 -0.53 1.96 -1.00 0.00 0.00 179.01 180.03 2kcq h GLN 74 N 1.14 0.00 0.00 2.33 4.20 -0.16 -3.48 115.11 119.15 2kcq h GLN 74 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2kcq h GLN 74 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kcq h GLN 74 CO -0.17 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.40 2kcq n GLY 75 N 1.20 0.90 3.65 3.46 0.00 0.12 -5.08 105.19 109.43 2kcq n GLY 75 Ca 0.02 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.17 0.00 0.99 1.43 0.11 -4.97 118.68 118.41 2kcq s LEU 76 Ca 0.00 -1.66 0.07 0.00 -1.03 0.00 0.00 54.13 51.51 2kcq s LEU 76 Cb 0.00 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 2kcq s LEU 76 CO 0.00 -0.88 0.27 -0.90 0.23 0.00 0.00 176.35 175.06 2kcq n ASP 77 N -1.29 -0.60 -4.56 2.29 5.68 0.74 -3.60 116.55 115.21 2kcq n ASP 77 Ca -0.13 -3.10 -0.43 0.00 -0.50 0.00 0.00 54.79 50.63 2kcq n ASP 77 Cb 0.66 1.58 -0.04 0.00 -1.14 0.00 0.00 41.12 42.18 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 4.45 -0.77 2.12 1.01 -1.26 -0.57 120.40 122.09 2kcq s VAL 78 Ca 0.38 0.67 0.18 0.00 0.00 0.00 0.00 61.98 63.21 2kcq s VAL 78 Cb 0.02 -4.46 -0.21 0.00 0.00 0.00 0.00 36.38 31.73 2kcq s VAL 78 CO 0.27 -0.89 0.74 1.33 0.00 0.00 0.00 175.10 176.54 2kcq n VAL 79 N 6.40 0.00 -3.84 2.92 0.24 -0.62 -4.97 118.33 118.45 2kcq n VAL 79 Ca 0.06 -0.11 -0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2kcq n VAL 79 Cb 0.48 0.91 0.01 0.00 -1.47 0.00 0.00 33.84 33.77 2kcq n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kcq n GLY 80 N 1.43 0.61 3.10 7.63 0.00 -1.16 -2.44 105.19 114.36 2kcq n GLY 80 Ca 0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2kcq n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcq s VAL 81 N -2.15 0.42 0.00 1.61 1.01 0.14 -0.21 120.40 121.22 2kcq s VAL 81 Ca 0.17 -1.66 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2kcq s VAL 81 Cb -0.01 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2kcq s VAL 81 CO 0.02 -0.82 -0.04 -0.72 0.00 0.00 0.00 175.10 173.54 2kcq s TYR 82 N -3.22 0.34 0.05 5.22 1.13 -0.49 -0.78 117.35 119.60 2kcq s TYR 82 Ca 0.04 -0.10 0.05 0.00 -1.41 0.00 0.00 57.07 55.66 2kcq s TYR 82 Cb 0.03 -0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 2kcq s TYR 82 CO -0.06 -0.01 -0.14 -1.58 -2.51 0.00 0.00 175.55 171.25 2kcq s HIS 83 N -0.19 1.24 -0.19 -3.49 2.46 0.17 -1.95 115.29 113.33 2kcq s HIS 83 Ca 0.00 -0.39 -0.07 0.00 0.47 0.00 0.00 55.06 55.07 2kcq s HIS 83 Cb -0.02 -0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 31.67 2kcq s HIS 83 CO -0.00 0.05 0.05 -1.54 -2.47 0.00 0.00 174.74 170.83 2kcq s SER 84 N -1.38 5.46 -0.01 9.88 1.04 -1.26 -2.07 113.70 125.35 2kcq s SER 84 Ca 0.00 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2kcq s SER 84 Cb -0.09 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 2kcq s SER 84 CO 0.02 0.14 -0.02 -1.00 0.98 0.00 0.00 173.24 173.35 2kcq s HIS 85 N 0.57 3.02 -0.53 5.02 3.76 0.13 -4.93 115.29 122.33 2kcq s HIS 85 Ca 0.02 0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 54.71 2kcq s HIS 85 Cb -0.13 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 31.92 2kcq s HIS 85 CO 0.01 0.43 1.11 -2.14 -0.85 0.00 0.00 174.74 173.30 2kcq s PRO 86 N -1.39 3.55 2.91 8.40 0.02 -1.25 -0.21 135.00 147.02 2kcq s PRO 86 Ca 0.18 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.44 2kcq s PRO 86 Cb -0.11 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.43 2kcq s PRO 86 CO 0.08 -1.51 0.00 -3.47 -0.33 0.00 0.00 177.00 171.77 2kcq n ASP 87 N 7.97 -1.96 -0.84 2.53 -0.08 -0.78 -4.92 116.55 118.46 2kcq n ASP 87 Ca 0.08 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.47 2kcq n ASP 87 Cb 0.49 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 2kcq n ASP 87 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2kcq n HIS 88 N 0.00 -2.24 0.85 -0.67 8.25 -1.26 -4.37 115.22 115.79 2kcq n HIS 88 Ca 0.00 1.21 0.03 0.00 -0.26 0.00 0.00 57.72 58.70 2kcq n HIS 88 Cb 0.00 -2.04 0.17 0.00 1.12 0.00 0.00 29.99 29.24 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 -3.45 0.43 -1.06 -0.41 -0.02 -1.26 -4.80 135.00 124.43 2kcq n PRO 89 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 2kcq n PRO 89 Cb 0.40 -1.21 -0.01 0.00 -0.02 0.00 0.00 33.50 32.66 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 -0.71 -0.03 -1.86 3.55 0.00 -1.26 -4.95 120.51 115.24 2kcq n ALA 90 Ca 0.04 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2kcq n ALA 90 Cb 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2kcq n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcq s ARG 91 N -1.25 3.94 0.46 0.00 0.52 -1.26 -4.74 118.95 116.62 2kcq s ARG 91 Ca 0.00 0.92 -0.24 0.00 -0.52 0.00 0.00 55.73 55.89 2kcq s ARG 91 Cb 0.00 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.23 2kcq s ARG 91 CO 0.00 -0.26 1.26 -0.35 0.02 0.00 0.00 175.30 175.98 2kcq n PRO 92 N -1.57 1.82 -2.96 3.54 -0.04 -1.26 -5.03 135.00 129.49 2kcq n PRO 92 Ca 0.06 0.65 -0.19 0.00 -0.04 0.00 0.00 63.50 63.99 2kcq n PRO 92 Cb 0.54 -2.40 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 2kcq n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kcq s SER 93 N -0.65 5.33 0.02 3.54 0.01 -1.26 -4.91 113.70 115.78 2kcq s SER 93 Ca 0.64 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 2kcq s SER 93 Cb -0.48 -0.29 -0.18 0.00 0.21 0.00 0.00 66.02 65.28 2kcq s SER 93 CO 0.56 -1.08 1.43 0.00 0.41 0.00 0.00 173.24 174.56 2kcq h ALA 94 N 0.34 -0.03 0.07 1.44 0.00 -1.99 0.13 119.26 119.21 2kcq h ALA 94 Ca -0.36 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 2kcq h ALA 94 Cb 1.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kcq h ALA 94 CO 0.44 -0.37 -1.11 1.15 0.00 0.00 0.00 179.25 179.36 2kcq h THR 95 N -0.34 1.58 -0.93 0.00 2.02 -1.98 -2.36 112.91 110.91 2kcq h THR 95 Ca -0.00 -3.13 0.07 0.00 0.77 0.00 0.00 66.41 64.11 2kcq h THR 95 Cb 0.32 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.51 2kcq h THR 95 CO 0.01 0.91 0.58 -0.78 0.37 0.00 0.00 175.52 176.61 2kcq h ASP 96 N 0.05 0.92 -0.23 4.18 3.58 -1.94 -0.76 116.42 122.22 2kcq h ASP 96 Ca -0.08 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.28 2kcq h ASP 96 Cb 1.84 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.71 2kcq h ASP 96 CO 0.17 0.58 -0.29 0.25 -2.88 0.00 0.00 179.24 177.07 2kcq h LEU 97 N 1.05 0.65 -2.20 2.28 6.46 -0.71 -3.24 115.31 119.60 2kcq h LEU 97 Ca 0.41 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2kcq h LEU 97 Cb 0.20 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2kcq h LEU 97 CO -0.18 1.02 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.28 2kcq h GLU 98 N 0.29 0.00 0.00 1.25 5.08 -0.74 -0.01 114.58 120.46 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2kcq h GLU 98 CO 0.07 0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 2kcq n GLU 99 N -3.94 0.07 -3.15 2.33 -0.58 -0.39 -4.67 120.64 110.31 2kcq n GLU 99 Ca -0.03 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2kcq n GLU 99 Cb 0.13 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq s ALA 100 N -2.92 3.44 -0.03 0.62 0.00 -0.02 -4.88 121.76 117.98 2kcq s ALA 100 Ca 0.15 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2kcq s ALA 100 Cb 0.17 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.20 2kcq s ALA 100 CO 0.46 -1.39 0.90 2.41 0.00 0.00 0.00 175.76 178.14 2kcq n THR 101 N 5.58 0.78 -3.80 0.00 -1.04 -1.26 -4.94 114.28 109.60 2kcq n THR 101 Ca -0.02 -0.86 -0.33 0.00 -2.04 0.00 0.00 64.05 60.80 2kcq n THR 101 Cb 0.48 0.48 -0.11 0.00 -1.82 0.00 0.00 70.33 69.37 2kcq n THR 101 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kcq s PHE 102 N -0.98 3.44 -0.19 -1.42 0.08 -1.26 -5.05 117.98 112.60 2kcq s PHE 102 Ca 0.07 -2.99 -0.29 0.00 0.12 0.00 0.00 56.93 53.83 2kcq s PHE 102 Cb 0.06 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 2kcq s PHE 102 CO 0.01 -0.75 1.69 -2.14 -0.10 0.00 0.00 175.22 173.92 2kcq s PRO 103 N -0.55 3.80 0.00 0.24 0.02 -1.26 -2.72 135.00 134.53 2kcq s PRO 103 Ca 0.20 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2kcq s PRO 103 Cb -0.18 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.28 2kcq s PRO 103 CO -0.06 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 2kcq n GLY 104 N 4.69 1.33 3.81 0.52 0.00 -1.25 -4.92 105.19 109.37 2kcq n GLY 104 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 3.33 -0.22 1.61 0.40 -1.10 -4.96 117.98 116.17 2kcq s PHE 105 Ca 0.00 1.64 -0.18 0.00 -0.60 0.00 0.00 56.93 57.79 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 -0.18 0.49 0.99 0.70 0.00 0.00 175.22 177.22 2kcq s THR 106 N -2.03 5.12 -0.38 0.64 2.01 -1.02 -3.78 115.64 116.20 2kcq s THR 106 Ca 0.61 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 63.35 2kcq s THR 106 Cb -0.12 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kcq s THR 106 CO 0.16 0.16 0.22 -0.31 -0.69 0.00 0.00 174.62 174.17 2kcq s TYR 107 N 1.79 3.24 -0.27 4.92 1.51 0.11 -0.68 117.35 127.96 2kcq s TYR 107 Ca 0.22 -0.83 -0.15 0.00 -1.01 0.00 0.00 57.07 55.30 2kcq s TYR 107 Cb -0.15 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 2kcq s TYR 107 CO 0.09 -0.61 0.36 0.08 -1.11 0.00 0.00 175.55 174.36 2kcq s VAL 108 N 1.59 5.18 -0.25 0.71 1.01 0.04 -0.01 120.40 128.67 2kcq s VAL 108 Ca 0.03 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 2kcq s VAL 108 Cb -0.19 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2kcq s VAL 108 CO 0.07 0.16 0.01 -0.63 0.00 0.00 0.00 175.10 174.71 2kcq s ILE 109 N 2.05 3.70 -0.14 2.22 1.01 0.12 -0.66 121.20 129.50 2kcq s ILE 109 Ca 0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2kcq s ILE 109 Cb -0.16 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2kcq s ILE 109 CO 0.10 0.29 0.02 0.54 0.00 0.00 0.00 174.94 175.89 2kcq s VAL 110 N 1.50 4.43 -0.45 2.92 0.11 -0.88 -0.80 120.40 127.23 2kcq s VAL 110 Ca 0.05 -0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 2kcq s VAL 110 Cb -0.15 -2.94 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2kcq s VAL 110 CO -0.00 0.52 0.79 -0.55 -3.33 0.00 0.00 175.10 172.53 2kcq s SER 111 N -0.05 6.41 -0.25 3.54 0.15 0.72 -0.70 113.70 123.53 2kcq s SER 111 Ca 0.04 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 2kcq s SER 111 Cb -0.13 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2kcq s SER 111 CO 0.02 -0.93 -0.05 -0.69 1.20 0.00 0.00 173.24 172.78 2kcq s VAL 112 N 3.32 2.93 -1.24 4.45 1.01 0.71 -0.07 120.40 131.51 2kcq s VAL 112 Ca 0.30 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2kcq s VAL 112 Cb -0.12 -2.49 0.14 0.00 0.00 0.00 0.00 36.38 33.91 2kcq s VAL 112 CO 0.23 0.19 1.56 -1.14 0.00 0.00 0.00 175.10 175.94 2kcq n ARG 113 N 4.68 3.34 -2.06 2.72 0.63 0.19 -1.87 116.66 124.29 2kcq n ARG 113 Ca -0.16 -3.67 -0.21 0.00 -0.92 0.00 0.00 57.85 52.89 2kcq n ARG 113 Cb 0.47 -3.14 -0.04 0.00 0.45 0.00 0.00 32.46 30.19 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 6.16 -5.75 0.00 6.15 2.03 -1.26 -2.20 116.55 121.68 2kcq n ASP 114 Ca 0.40 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2kcq n ASP 114 Cb 0.43 -4.89 0.00 0.00 -0.72 0.00 0.00 41.12 35.94 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 -0.76 1.33 3.47 0.27 0.00 -1.26 -4.92 105.19 103.33 2kcq n GLY 115 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.68 3.45 -0.08 4.61 0.00 -0.94 -4.65 121.76 123.48 2kcq s ALA 116 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 2kcq s ALA 116 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2kcq s ALA 116 CO 0.00 -1.54 1.74 -2.14 0.00 0.00 0.00 175.76 173.82 2kcq s PRO 117 N 1.94 4.04 0.00 0.00 0.02 -1.26 0.57 135.00 140.31 2kcq s PRO 117 Ca 0.09 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2kcq s PRO 117 Cb -0.18 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.29 2kcq s PRO 117 CO 0.12 -1.03 0.00 -1.91 -0.33 0.00 0.00 177.00 173.85 2kcq n GLU 118 N 7.40 0.00 -4.09 5.54 2.13 0.90 -4.94 120.64 127.59 2kcq n GLU 118 Ca 0.19 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.87 2kcq n GLU 118 Cb 0.43 -0.47 -0.11 0.00 0.27 0.00 0.00 31.44 31.55 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 -3.06 0.71 -0.06 4.31 0.00 -1.23 -5.00 121.76 117.43 2kcq s ALA 119 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2kcq s ALA 119 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2kcq s ALA 119 CO 0.00 0.01 -0.20 -0.51 0.00 0.00 0.00 175.76 175.06 2kcq s LEU 120 N -1.68 2.37 0.03 0.00 1.02 -1.26 -0.20 118.68 118.96 2kcq s LEU 120 Ca -0.07 -0.38 0.04 0.00 0.02 0.00 0.00 54.13 53.73 2kcq s LEU 120 Cb -0.09 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.64 2kcq s LEU 120 CO 0.01 0.28 -0.11 0.42 0.02 0.00 0.00 176.35 176.96 2kcq s THR 121 N -0.34 0.87 -0.07 5.49 -4.23 0.02 -5.01 115.64 112.37 2kcq s THR 121 Ca 0.02 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 2kcq s THR 121 Cb -0.12 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 2kcq s THR 121 CO 0.02 -0.05 -0.23 0.00 -0.54 0.00 0.00 174.62 173.81 2kcq s ALA 122 N -0.83 2.23 0.09 3.99 0.00 -1.26 0.12 121.76 126.10 2kcq s ALA 122 Ca -0.01 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2kcq s ALA 122 Cb -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2kcq s ALA 122 CO 0.01 0.40 -0.15 -1.58 0.00 0.00 0.00 175.76 174.43 2kcq s TRP 123 N -0.11 1.37 -0.09 0.00 0.52 0.99 -1.15 118.94 120.48 2kcq s TRP 123 Ca -0.05 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.61 2kcq s TRP 123 Cb -0.14 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.41 2kcq s TRP 123 CO 0.04 0.11 -0.17 0.00 0.02 0.00 0.00 176.95 176.95 2kcq s ALA 124 N -1.53 2.50 0.09 0.98 0.00 0.38 0.05 121.76 124.22 2kcq s ALA 124 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 2kcq s ALA 124 Cb -0.08 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2kcq s ALA 124 CO 0.03 0.36 0.96 -1.17 0.00 0.00 0.00 175.76 175.94 2kcq s LEU 125 N -0.03 4.47 0.35 0.00 2.96 -1.25 -0.22 118.68 124.97 2kcq s LEU 125 Ca -0.05 1.76 -0.27 0.00 -0.22 0.00 0.00 54.13 55.35 2kcq s LEU 125 Cb -0.14 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 2kcq s LEU 125 CO 0.04 -0.10 1.24 0.00 -1.32 0.00 0.00 176.35 176.21 2kcq n ALA 126 N 3.00 1.05 -0.07 5.97 0.00 0.18 -3.81 120.51 126.83 2kcq n ALA 126 Ca 0.03 0.34 0.25 0.00 0.00 0.00 0.00 53.44 54.06 2kcq n ALA 126 Cb 0.50 -2.22 0.72 0.00 0.00 0.00 0.00 19.45 18.45 2kcq n ALA 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kcq h PRO 127 N 2.35 0.00 -1.59 0.00 0.11 -1.91 -1.35 132.00 129.61 2kcq h PRO 127 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 2kcq h PRO 127 Cb 1.29 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.99 2kcq h PRO 127 CO 0.62 0.00 -0.77 -3.47 -0.21 0.00 0.00 178.00 174.16 2kcq n ASP 128 N -4.03 4.29 -4.07 -2.05 2.03 -1.26 -4.82 116.55 106.65 2kcq n ASP 128 Ca 0.14 -3.61 -0.34 0.00 0.52 0.00 0.00 54.79 51.51 2kcq n ASP 128 Cb 0.83 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.39 -2.30 -0.02 -0.67 1.85 -0.51 -4.85 116.66 109.78 2kcq n ARG 129 Ca 0.35 0.27 -0.01 0.00 -1.00 0.00 0.00 57.85 57.46 2kcq n ARG 129 Cb 0.64 -4.93 -0.01 0.00 -1.05 0.00 0.00 32.46 27.11 2kcq n ARG 129 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2kcq h SER 130 N -1.06 -0.06 -0.33 2.89 0.02 -1.93 -3.49 113.55 109.58 2kcq h SER 130 Ca -0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2kcq h SER 130 Cb 1.34 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2kcq h SER 130 CO 0.72 0.41 0.00 -1.84 -1.14 0.00 0.00 176.83 174.99 2kcq n GLU 131 N -4.75 0.00 -4.11 3.45 0.28 -1.26 -5.00 120.64 109.24 2kcq n GLU 131 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 2kcq n GLU 131 Cb 0.03 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.83 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 -4.63 3.29 0.07 -1.84 0.08 -1.26 -0.65 117.98 113.04 2kcq s PHE 132 Ca 0.00 0.22 0.08 0.00 0.12 0.00 0.00 56.93 57.35 2kcq s PHE 132 Cb 0.00 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2kcq s PHE 132 CO 0.00 0.55 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.44 2kcq s HIS 133 N -1.17 1.92 0.23 0.36 3.76 0.70 -4.93 115.29 116.15 2kcq s HIS 133 Ca 0.22 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 2kcq s HIS 133 Cb -0.12 -1.11 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 2kcq s HIS 133 CO 0.13 0.15 1.36 0.50 -0.85 0.00 0.00 174.74 176.02 2kcq s ARG 134 N -1.47 4.34 0.48 1.40 6.06 -1.26 -0.47 118.95 128.03 2kcq s ARG 134 Ca 0.08 2.16 0.04 0.00 -2.50 0.00 0.00 55.73 55.51 2kcq s ARG 134 Cb -0.09 -3.15 -0.03 0.00 0.06 0.00 0.00 34.95 31.73 2kcq s ARG 134 CO 0.03 -0.31 0.09 -1.21 -2.50 0.00 0.00 175.30 171.40 2kcq s GLU 135 N -0.33 2.15 -0.03 5.12 0.41 -0.30 -4.78 118.70 120.94 2kcq s GLU 135 Ca 0.57 -2.19 -0.09 0.00 -0.41 0.00 0.00 54.97 52.85 2kcq s GLU 135 Cb -0.39 -1.71 0.01 0.00 -1.78 0.00 0.00 34.13 30.27 2kcq s GLU 135 CO 0.41 -0.29 0.20 0.34 -0.49 0.00 0.00 175.26 175.44 2kcq s ASP 136 N -3.90 -0.11 -0.35 -0.19 2.15 -1.26 -4.52 116.67 108.49 2kcq s ASP 136 Ca 0.22 0.09 -0.20 0.00 0.43 0.00 0.00 52.55 53.10 2kcq s ASP 136 Cb 0.03 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 2kcq s ASP 136 CO 0.12 -0.28 0.60 -0.63 -0.17 0.00 0.00 175.17 174.82 2kcq s ILE 137 N -0.82 4.93 0.20 4.11 1.09 -1.26 -2.42 121.20 127.03 2kcq s ILE 137 Ca -0.09 0.54 0.10 0.00 -1.10 0.00 0.00 60.65 60.10 2kcq s ILE 137 Cb -0.05 -4.04 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 2kcq s ILE 137 CO 0.02 -0.27 -0.15 -0.69 -0.10 0.00 0.00 174.94 173.74 2kcq s VAL 138 N 2.62 2.84 0.24 2.92 1.01 0.48 -4.97 120.40 125.55 2kcq s VAL 138 Ca 0.23 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 2kcq s VAL 138 Cb -0.15 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 2kcq s VAL 138 CO 0.14 -0.16 1.17 -0.13 0.00 0.00 0.00 175.10 176.12 2kcq s ARG 139 N -2.91 4.53 -0.16 2.72 0.52 -1.26 -2.12 118.95 120.28 2kcq s ARG 139 Ca 0.24 1.90 -0.29 0.00 -0.52 0.00 0.00 55.73 57.06 2kcq s ARG 139 Cb -0.08 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2kcq s ARG 139 CO 0.14 0.02 1.67 -2.14 0.02 0.00 0.00 175.30 175.01 2kcq s PRO 140 N -0.95 3.88 -0.36 3.54 0.02 -1.26 -4.88 135.00 134.99 2kcq s PRO 140 Ca 0.49 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 2kcq s PRO 140 Cb -0.33 -4.04 0.02 0.00 0.02 0.00 0.00 34.50 30.16 2kcq s PRO 140 CO 0.41 -1.20 1.18 -0.51 -0.33 0.00 0.00 177.00 176.55 2kcq s ASP 141 N 4.22 6.73 -0.06 2.53 1.01 -1.26 -4.90 116.67 124.94 2kcq s ASP 141 Ca 0.74 0.92 0.01 0.00 0.71 0.00 0.00 52.55 54.93 2kcq s ASP 141 Cb -0.28 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.19 2kcq s ASP 141 CO 0.30 -1.09 1.13 -0.81 0.21 0.00 0.00 175.17 174.92 2kcq n PRO 142 N 7.36 1.17 0.00 8.23 -0.04 -1.26 -2.94 135.00 147.53 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 0.48 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.27 -0.07 -2.42 0.54 1.02 -1.26 -5.04 120.64 113.68 2kcq n GLU 143 Ca 0.08 -0.48 -0.42 0.00 -0.02 0.00 0.00 57.16 56.33 2kcq n GLU 143 Cb 0.66 -0.80 -0.03 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.13 3.39 0.20 0.62 0.00 -1.15 -5.00 121.76 119.69 2kcq s ALA 144 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 2kcq s ALA 144 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2kcq s ALA 144 CO 0.00 -0.45 1.33 -2.14 0.00 0.00 0.00 175.76 174.50 2kcq s PRO 145 N 1.11 4.37 0.43 0.00 0.02 -1.26 -5.01 135.00 134.66 2kcq s PRO 145 Ca 0.59 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 63.48 2kcq s PRO 145 Cb -0.29 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 30.95 2kcq s PRO 145 CO 0.29 -0.28 1.00 -0.48 -0.33 0.00 0.00 177.00 177.20 2kcq s LEU 146 N -0.11 3.99 0.45 -5.54 0.05 -1.26 -5.02 118.68 111.24 2kcq s LEU 146 Ca 0.57 1.86 0.02 0.00 0.05 0.00 0.00 54.13 56.64 2kcq s LEU 146 Cb -0.37 -4.42 0.01 0.00 -2.05 0.00 0.00 46.19 39.36 2kcq s LEU 146 CO 0.39 -0.51 0.65 -1.61 -0.55 0.00 0.00 176.35 174.72 2kcq s GLU 147 N -2.93 2.93 -1.23 1.48 0.41 -1.26 -4.98 118.70 113.11 2kcq s GLU 147 Ca 0.62 -0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 54.27 2kcq s GLU 147 Cb -0.15 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 29.58 2kcq s GLU 147 CO 0.20 -0.32 1.88 -2.39 -0.49 0.00 0.00 175.26 174.14 2kcq n HIS 148 N -2.04 3.64 -2.02 1.61 1.44 -1.26 -4.92 115.22 111.66 2kcq n HIS 148 Ca 0.03 -2.32 -0.42 0.00 -2.01 0.00 0.00 57.72 53.00 2kcq n HIS 148 Cb 0.58 -2.53 -0.03 0.00 0.12 0.00 0.00 29.99 28.13 2kcq n HIS 148 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kcq s HIS 149 N 6.33 1.79 -0.58 -1.40 -3.43 -1.26 -4.84 115.29 111.91 2kcq s HIS 149 Ca 0.58 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 2kcq s HIS 149 Cb 0.05 -4.12 0.51 0.00 -1.43 0.00 0.00 32.58 27.59 2kcq s HIS 149 CO 0.08 -2.70 1.99 1.58 -2.00 0.00 0.00 174.74 173.69 2kcq n HIS 150 N 10.97 3.09 -2.70 0.38 -0.00 -1.26 -4.86 115.22 120.84 2kcq n HIS 150 Ca 0.22 -2.58 -0.07 0.00 -0.00 0.00 0.00 57.72 55.30 2kcq n HIS 150 Cb 0.48 -1.26 0.01 0.00 -0.00 0.00 0.00 29.99 29.22 2kcq n HIS 150 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcq n HIS 151 N -0.93 -3.19 0.00 1.57 8.25 -1.26 -4.01 115.22 115.65 2kcq n HIS 151 Ca 0.60 1.30 0.00 0.00 -0.26 0.00 0.00 57.72 59.36 2kcq n HIS 151 Cb 0.99 -3.83 0.00 0.00 1.12 0.00 0.00 29.99 28.27 2kcq n HIS 151 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcq n HIS 152 N -0.24 0.00 -0.75 4.41 -0.00 -1.26 -5.30 115.22 112.09 2kcq n HIS 152 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2kcq n HIS 152 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2kcq n HIS 152 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92