#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 3.96 0.32 2.12 3.01 -0.16 -1.30 119.74 127.69 2kcq s LYS 2 Ca 0.00 -0.32 -0.15 0.00 -1.01 0.00 0.00 55.97 54.49 2kcq s LYS 2 Cb 0.00 -3.55 0.03 0.00 -1.01 0.00 0.00 37.83 33.30 2kcq s LYS 2 CO 0.00 -0.06 0.67 -0.08 0.51 0.00 0.00 175.35 176.39 2kcq s THR 3 N 1.39 0.00 0.09 2.17 -1.32 0.15 -2.19 115.64 115.93 2kcq s THR 3 Ca 0.07 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.47 2kcq s THR 3 Cb -0.15 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2kcq s THR 3 CO 0.07 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 172.77 2kcq s THR 4 N -3.18 3.15 0.41 5.08 -4.23 -1.26 -3.95 115.64 111.66 2kcq s THR 4 Ca 0.17 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.54 2kcq s THR 4 Cb -0.04 -2.44 0.34 0.00 1.34 0.00 0.00 72.50 71.70 2kcq s THR 4 CO 0.11 0.17 1.94 1.55 -0.54 0.00 0.00 174.62 177.85 2kcq h PRO 5 N 3.88 0.47 -0.29 3.99 0.13 -1.98 -0.68 132.00 137.51 2kcq h PRO 5 Ca -0.49 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2kcq h PRO 5 Cb 1.17 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2kcq h PRO 5 CO 0.50 0.31 0.17 0.22 -0.23 0.00 0.00 178.00 178.96 2kcq h ASP 6 N 0.48 0.27 -0.35 1.44 3.58 -1.99 0.07 116.42 119.91 2kcq h ASP 6 Ca 0.34 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.69 2kcq h ASP 6 Cb 0.67 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2kcq h ASP 6 CO -0.11 0.20 -0.17 0.40 -2.88 0.00 0.00 179.24 176.68 2kcq h ILE 7 N 0.34 1.29 -0.59 2.25 1.08 -1.73 -2.49 117.51 117.66 2kcq h ILE 7 Ca 0.11 -1.29 0.08 0.00 -0.39 0.00 0.00 64.86 63.38 2kcq h ILE 7 Cb -0.00 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 2kcq h ILE 7 CO -0.05 0.42 0.24 -0.07 -0.69 0.00 0.00 178.15 178.00 2kcq h LEU 8 N 0.51 0.28 -0.58 1.44 3.38 -0.84 0.23 115.31 119.74 2kcq h LEU 8 Ca 0.08 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2kcq h LEU 8 Cb 0.71 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2kcq h LEU 8 CO 0.05 0.17 -0.13 -0.78 0.09 0.00 0.00 178.44 177.85 2kcq h ASP 9 N 0.44 1.01 -0.18 -0.43 3.58 -0.95 -2.57 116.42 117.33 2kcq h ASP 9 Ca 0.29 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2kcq h ASP 9 Cb 0.31 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2kcq h ASP 9 CO -0.27 1.13 0.00 1.56 -2.88 0.00 0.00 179.24 178.79 2kcq h GLN 10 N 0.89 0.43 -0.81 0.28 4.20 -0.89 -1.29 115.11 117.92 2kcq h GLN 10 Ca 0.13 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2kcq h GLN 10 Cb 0.69 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2kcq h GLN 10 CO 0.05 0.45 0.42 0.82 -0.67 0.00 0.00 178.83 179.91 2kcq h ILE 11 N 0.41 1.24 -0.13 2.54 2.04 -0.59 0.29 117.51 123.32 2kcq h ILE 11 Ca 0.09 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2kcq h ILE 11 Cb 0.27 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2kcq h ILE 11 CO 0.01 0.28 0.02 0.03 0.00 0.00 0.00 178.15 178.49 2kcq h ARG 12 N 1.13 0.07 -0.23 2.37 3.08 -0.96 -1.10 114.38 118.74 2kcq h ARG 12 Ca 0.28 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2kcq h ARG 12 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2kcq h ARG 12 CO -0.04 0.05 0.06 0.28 -1.07 0.00 0.00 179.97 179.25 2kcq h VAL 13 N 0.07 1.20 0.00 2.04 2.07 -0.94 -2.90 116.25 117.80 2kcq h VAL 13 Ca 0.06 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kcq h VAL 13 Cb 0.05 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2kcq h VAL 13 CO -0.08 0.21 -0.20 0.45 0.02 0.00 0.00 177.57 177.97 2kcq h HIS 14 N 0.19 0.00 -0.25 1.57 3.86 -0.33 0.21 115.15 120.40 2kcq h HIS 14 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2kcq h HIS 14 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2kcq h HIS 14 CO 0.01 0.20 0.15 0.78 0.86 0.00 0.00 177.93 179.93 2kcq h GLY 15 N 0.84 0.37 1.95 2.45 0.00 -0.99 -1.65 103.07 106.03 2kcq h GLY 15 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 2kcq h GLY 15 CO 0.03 0.15 -0.70 0.00 0.00 0.00 0.00 176.54 176.02 2kcq h ALA 16 N 1.05 0.83 -0.66 3.60 0.00 -1.36 -3.21 119.26 119.50 2kcq h ALA 16 Ca 0.09 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2kcq h ALA 16 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kcq h ALA 16 CO -0.02 0.85 0.44 0.22 0.00 0.00 0.00 179.25 180.74 2kcq h ASP 17 N 0.03 0.71 1.54 0.00 1.82 -0.23 -1.68 116.42 118.61 2kcq h ASP 17 Ca -0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2kcq h ASP 17 Cb 1.23 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2kcq h ASP 17 CO 0.09 0.50 0.00 0.00 -1.61 0.00 0.00 179.24 178.22 2kcq h ALA 18 N 1.61 1.00 -2.30 -0.78 0.00 -1.31 -3.46 119.26 114.01 2kcq h ALA 18 Ca 0.26 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.68 2kcq h ALA 18 Cb 0.01 0.00 0.16 0.00 0.00 0.00 0.00 17.79 17.96 2kcq h ALA 18 CO -0.07 0.00 0.22 0.71 0.00 0.00 0.00 179.25 180.11 2kcq s TYR 19 N -3.11 2.09 -1.70 0.00 1.51 -0.63 -3.09 117.35 112.41 2kcq s TYR 19 Ca 0.10 1.35 0.27 0.00 -1.01 0.00 0.00 57.07 57.78 2kcq s TYR 19 Cb 0.11 -3.17 1.49 0.00 -0.11 0.00 0.00 41.96 40.28 2kcq s TYR 19 CO 0.60 -2.63 1.95 -2.30 -1.11 0.00 0.00 175.55 172.06 2kcq n PRO 20 N -4.06 0.61 -1.97 -1.71 -0.02 -1.26 -5.05 135.00 121.54 2kcq n PRO 20 Ca 0.07 0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.29 2kcq n PRO 20 Cb 0.54 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.60 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 -2.30 2.14 -0.10 -0.52 2.02 -1.18 -5.00 118.70 113.76 2kcq s GLU 21 Ca 0.33 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 55.10 2kcq s GLU 21 Cb 0.18 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2kcq s GLU 21 CO 0.36 -1.44 1.26 -1.83 0.02 0.00 0.00 175.26 173.64 2kcq s GLU 22 N -5.47 4.29 -0.84 1.61 -1.05 -1.26 -4.86 118.70 111.12 2kcq s GLU 22 Ca 0.61 1.71 -0.13 0.00 -0.15 0.00 0.00 54.97 57.01 2kcq s GLU 22 Cb -0.11 -3.66 0.22 0.00 -0.44 0.00 0.00 34.13 30.14 2kcq s GLU 22 CO 0.48 -0.58 0.77 0.20 0.95 0.00 0.00 175.26 177.08 2kcq s GLY 23 N 1.78 2.70 0.17 -3.83 0.00 -1.26 -4.99 107.32 101.89 2kcq s GLY 23 Ca 0.57 -3.36 -0.03 0.00 0.00 0.00 0.00 44.72 41.89 2kcq s GLY 23 CO 0.19 1.25 0.39 0.00 0.00 0.00 0.00 173.10 174.94 2kcq n GLY 25 N -0.26 0.58 3.47 0.00 0.00 -1.14 -2.13 105.19 105.72 2kcq n GLY 25 Ca -0.03 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.72 2.51 -0.21 1.61 0.08 -0.08 -1.59 117.98 117.58 2kcq s PHE 26 Ca 0.20 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 2kcq s PHE 26 Cb -0.02 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 2kcq s PHE 26 CO 0.02 0.36 0.06 -0.51 -0.10 0.00 0.00 175.22 175.05 2kcq s LEU 27 N -2.00 3.59 0.01 -0.37 1.43 0.65 -1.80 118.68 120.19 2kcq s LEU 27 Ca 0.17 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2kcq s LEU 27 Cb -0.10 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 27 CO 0.09 0.08 -0.05 -0.76 0.23 0.00 0.00 176.35 175.94 2kcq s LEU 28 N 0.95 3.27 0.00 1.79 1.43 0.32 -0.75 118.68 125.70 2kcq s LEU 28 Ca 0.03 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2kcq s LEU 28 Cb -0.14 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2kcq s LEU 28 CO 0.03 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2kcq n GLY 29 N 1.46 1.41 3.45 -3.19 0.00 -0.03 -0.32 105.19 107.98 2kcq n GLY 29 Ca -0.15 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.28 2.34 -0.43 2.61 -4.23 0.28 -0.33 115.64 113.60 2kcq s THR 30 Ca 0.00 -2.37 -0.18 0.00 -1.18 0.00 0.00 61.69 57.96 2kcq s THR 30 Cb 0.00 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.61 2kcq s THR 30 CO 0.00 -0.43 0.47 -0.69 -0.54 0.00 0.00 174.62 173.43 2kcq s VAL 31 N -2.59 5.05 0.10 2.29 1.01 -1.26 -0.94 120.40 124.06 2kcq s VAL 31 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 2kcq s VAL 31 Cb -0.04 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2kcq s VAL 31 CO 0.13 -0.46 0.30 0.42 0.00 0.00 0.00 175.10 175.49 2kcq s THR 32 N 2.24 5.27 0.00 3.92 -4.23 -1.02 -4.18 115.64 117.64 2kcq s THR 32 Ca 0.14 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2kcq s THR 32 Cb -0.17 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2kcq s THR 32 CO 0.14 0.09 0.00 -0.67 -0.54 0.00 0.00 174.62 173.64 2kcq n ASP 33 N 0.19 0.00 -0.97 3.99 2.03 -1.26 -0.45 116.55 120.08 2kcq n ASP 33 Ca -0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.15 2kcq n ASP 33 Cb 0.51 -1.04 -0.05 0.00 -0.72 0.00 0.00 41.12 39.82 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 0.00 -4.50 -0.01 1.67 2.03 -1.26 -4.74 116.55 109.74 2kcq n ASP 34 Ca 0.00 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2kcq n ASP 34 Cb 0.00 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.44 0.95 3.39 0.27 0.00 -0.88 -5.14 105.19 102.35 2kcq n GLY 35 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.98 -0.23 1.61 1.01 0.41 -5.01 116.67 117.45 2kcq s ASP 36 Ca 0.00 -1.02 -0.07 0.00 0.71 0.00 0.00 52.55 52.17 2kcq s ASP 36 Cb 0.00 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 2kcq s ASP 36 CO 0.00 -0.08 0.07 0.54 0.21 0.00 0.00 175.17 175.90 2kcq s ASN 37 N -3.37 5.27 -0.29 0.27 2.20 -1.26 -2.44 114.94 115.32 2kcq s ASN 37 Ca 0.25 -0.12 0.00 0.00 -0.94 0.00 0.00 52.86 52.05 2kcq s ASN 37 Cb -0.03 -1.93 0.06 0.00 -2.00 0.00 0.00 41.25 37.35 2kcq s ASN 37 CO 0.10 0.03 -0.03 -0.60 -2.94 0.00 0.00 177.10 173.66 2kcq s ARG 38 N 1.23 2.31 0.03 3.55 3.52 -0.11 -0.99 118.95 128.49 2kcq s ARG 38 Ca 0.05 -1.34 -0.30 0.00 -0.13 0.00 0.00 55.73 54.01 2kcq s ARG 38 Cb -0.14 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2kcq s ARG 38 CO 0.03 -0.63 1.11 0.08 -0.81 0.00 0.00 175.30 175.08 2kcq s VAL 39 N 1.18 4.40 0.00 7.11 1.01 -0.93 -0.56 120.40 132.61 2kcq s VAL 39 Ca -0.06 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2kcq s VAL 39 Cb -0.20 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2kcq s VAL 39 CO -0.03 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.20 2kcq n ALA 40 N 3.97 1.34 -2.89 5.51 0.00 0.14 -4.64 120.51 123.94 2kcq n ALA 40 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2kcq n ALA 40 Cb 0.48 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.34 0.36 0.03 0.00 0.00 0.57 -4.99 121.76 116.40 2kcq s ALA 41 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2kcq s ALA 41 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2kcq s ALA 41 CO 0.00 -0.05 -0.13 -0.51 0.00 0.00 0.00 175.76 175.07 2kcq s LEU 42 N -1.24 2.89 -0.05 0.00 1.43 -1.26 -0.52 118.68 119.92 2kcq s LEU 42 Ca -0.10 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2kcq s LEU 42 Cb -0.08 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2kcq s LEU 42 CO -0.00 0.26 0.03 -2.28 0.23 0.00 0.00 176.35 174.58 2kcq s HIS 43 N -0.99 0.34 0.13 0.29 2.46 -0.74 -4.95 115.29 111.83 2kcq s HIS 43 Ca 0.16 0.05 -0.24 0.00 0.47 0.00 0.00 55.06 55.50 2kcq s HIS 43 Cb -0.11 -0.61 -0.07 0.00 -0.13 0.00 0.00 32.58 31.66 2kcq s HIS 43 CO 0.07 -0.24 0.75 -0.98 -2.47 0.00 0.00 174.74 171.87 2kcq s ARG 44 N 1.96 4.51 -0.93 2.88 1.70 -1.26 -0.90 118.95 126.89 2kcq s ARG 44 Ca 0.03 1.09 -0.24 0.00 -0.47 0.00 0.00 55.73 56.14 2kcq s ARG 44 Cb -0.12 -3.28 -0.03 0.00 -0.57 0.00 0.00 34.95 30.94 2kcq s ARG 44 CO -0.04 0.52 1.87 0.00 -1.08 0.00 0.00 175.30 176.57 2kcq s ALA 45 N -0.90 1.84 0.00 7.88 0.00 -0.91 -4.80 121.76 124.88 2kcq s ALA 45 Ca 0.35 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2kcq s ALA 45 Cb -0.22 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.34 2kcq s ALA 45 CO 0.25 -4.63 0.00 -2.37 0.00 0.00 0.00 175.76 169.00 2kcq n THR 46 N 7.71 0.00 -3.75 0.00 5.66 -1.26 -4.98 114.28 117.66 2kcq n THR 46 Ca 0.39 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 61.04 2kcq n THR 46 Cb 0.48 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.20 2kcq n THR 46 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kcq s ASN 47 N 0.00 6.52 -0.90 1.09 4.22 -1.26 -4.82 114.94 119.78 2kcq s ASN 47 Ca 0.00 0.60 -0.14 0.00 -2.14 0.00 0.00 52.86 51.18 2kcq s ASN 47 Cb 0.00 -2.11 0.21 0.00 1.28 0.00 0.00 41.25 40.63 2kcq s ASN 47 CO 0.00 0.30 0.91 -0.60 -2.04 0.00 0.00 177.10 175.67 2kcq s ARG 48 N -1.49 3.71 2.04 3.55 3.00 -1.26 -5.00 118.95 123.50 2kcq s ARG 48 Ca 0.24 -2.44 0.00 0.00 -1.00 0.00 0.00 55.73 52.53 2kcq s ARG 48 Cb -0.13 -4.57 0.00 0.00 0.00 0.00 0.00 34.95 30.25 2kcq s ARG 48 CO 0.13 -1.40 0.00 -2.13 0.00 0.00 0.00 175.30 171.90 2kcq n ARG 49 N 4.35 0.00 -2.16 5.12 0.63 -1.26 -4.88 116.66 118.46 2kcq n ARG 49 Ca 0.18 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.94 2kcq n ARG 49 Cb 0.46 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.35 2kcq n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2kcq n SER 50 N -3.00 -4.98 -0.24 6.15 2.88 -1.26 -4.88 113.62 108.29 2kcq n SER 50 Ca 0.00 0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2kcq n SER 50 Cb 0.00 -4.06 0.14 0.00 -0.75 0.00 0.00 64.21 59.54 2kcq n SER 50 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kcq h GLU 51 N 0.00 1.06 -4.00 -1.46 3.07 -1.90 -3.32 114.58 108.03 2kcq h GLU 51 Ca -0.39 -0.16 -0.72 0.00 -0.50 0.00 0.00 59.36 57.59 2kcq h GLU 51 Cb 1.26 -0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 2kcq h GLU 51 CO 0.48 0.83 2.80 1.04 -1.40 0.00 0.00 179.01 182.76 2kcq n GLN 52 N -4.31 3.06 -0.09 2.33 1.13 -1.26 -3.93 117.38 114.31 2kcq n GLN 52 Ca 0.07 -2.87 -0.20 0.00 -1.94 0.00 0.00 57.00 52.05 2kcq n GLN 52 Cb 0.15 -3.21 -0.12 0.00 0.11 0.00 0.00 30.24 27.17 2kcq n GLN 52 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2kcq n ARG 53 N 5.69 0.67 -4.12 -1.09 0.63 -1.25 -5.00 116.66 112.19 2kcq n ARG 53 Ca 0.49 0.21 -0.15 0.00 -0.92 0.00 0.00 57.85 57.47 2kcq n ARG 53 Cb 0.39 -1.58 -0.12 0.00 0.45 0.00 0.00 32.46 31.60 2kcq n ARG 53 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2kcq s THR 54 N -2.52 0.75 -1.12 5.15 2.01 -1.23 -5.07 115.64 113.60 2kcq s THR 54 Ca -0.32 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.40 2kcq s THR 54 Cb 0.09 -0.76 0.07 0.00 0.01 0.00 0.00 72.50 71.91 2kcq s THR 54 CO 0.64 -0.27 1.51 -0.13 -0.69 0.00 0.00 174.62 175.67 2kcq s ARG 55 N -1.50 3.76 0.00 4.92 3.00 -1.26 -4.37 118.95 123.50 2kcq s ARG 55 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 55.73 54.09 2kcq s ARG 55 Cb -0.09 -5.35 0.00 0.00 0.00 0.00 0.00 34.95 29.51 2kcq s ARG 55 CO 0.01 -2.15 0.00 2.89 0.00 0.00 0.00 175.30 176.05 2kcq n ARG 56 N 8.24 0.00 0.18 3.54 1.85 -1.26 -4.61 116.66 124.60 2kcq n ARG 56 Ca 0.38 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 57.25 2kcq n ARG 56 Cb 0.49 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.74 2kcq n ARG 56 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2kcq h TYR 57 N 0.00 0.00 -3.00 2.89 3.20 -2.02 -3.43 116.97 114.61 2kcq h TYR 57 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2kcq h TYR 57 Cb 0.00 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.01 2kcq h TYR 57 CO 0.00 0.38 -0.39 -2.00 -1.64 0.00 0.00 178.16 174.51 2kcq s GLU 58 N -4.15 0.31 -0.00 1.82 2.12 -1.26 -5.10 118.70 112.44 2kcq s GLU 58 Ca -0.03 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.78 2kcq s GLU 58 Cb 0.14 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 2kcq s GLU 58 CO 0.73 -0.08 -0.04 -0.48 -0.54 0.00 0.00 175.26 174.85 2kcq s LEU 59 N 0.50 2.02 -0.58 2.70 2.34 -1.26 -3.55 118.68 120.85 2kcq s LEU 59 Ca -0.03 -0.09 -0.23 0.00 0.06 0.00 0.00 54.13 53.84 2kcq s LEU 59 Cb -0.04 -0.17 0.05 0.00 -0.56 0.00 0.00 46.19 45.47 2kcq s LEU 59 CO -0.03 0.02 0.91 0.42 -1.06 0.00 0.00 176.35 176.62 2kcq s THR 60 N -0.17 4.42 0.40 5.48 -4.23 -1.25 -5.01 115.64 115.27 2kcq s THR 60 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 2kcq s THR 60 Cb -0.02 -4.56 -0.07 0.00 1.34 0.00 0.00 72.50 69.20 2kcq s THR 60 CO -0.00 -1.18 0.03 0.00 -0.54 0.00 0.00 174.62 172.93 2kcq s ALA 61 N 3.84 3.24 -0.03 3.99 0.00 -1.26 -4.79 121.76 126.75 2kcq s ALA 61 Ca 0.26 -2.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 2kcq s ALA 61 Cb -0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2kcq s ALA 61 CO 0.16 -0.09 0.07 0.34 0.00 0.00 0.00 175.76 176.24 2kcq s ASP 62 N -3.74 5.66 0.18 0.00 2.15 -1.26 -4.89 116.67 114.76 2kcq s ASP 62 Ca 0.36 0.17 -0.23 0.00 0.43 0.00 0.00 52.55 53.28 2kcq s ASP 62 Cb 0.07 -1.64 0.06 0.00 -0.30 0.00 0.00 42.92 41.11 2kcq s ASP 62 CO 0.19 0.30 0.64 -0.62 -0.17 0.00 0.00 175.17 175.52 2kcq s ASP 63 N -1.52 -0.50 0.19 -0.34 2.15 -1.26 -4.91 116.67 110.49 2kcq s ASP 63 Ca 0.20 -0.12 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 2kcq s ASP 63 Cb -0.12 0.61 0.22 0.00 -0.30 0.00 0.00 42.92 43.33 2kcq s ASP 63 CO 0.11 -1.03 1.72 0.22 -0.17 0.00 0.00 175.17 176.02 2kcq h TYR 64 N 2.00 0.19 -0.87 -5.34 3.20 -1.98 -0.95 116.97 113.21 2kcq h TYR 64 Ca -0.30 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 2kcq h TYR 64 Cb 1.29 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2kcq h TYR 64 CO 0.27 -0.00 0.51 0.00 -1.64 0.00 0.00 178.16 177.30 2kcq h ARG 65 N 0.25 1.20 -0.16 1.82 3.08 -1.97 0.46 114.38 119.07 2kcq h ARG 65 Ca 0.27 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2kcq h ARG 65 Cb 0.36 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2kcq h ARG 65 CO -0.34 0.85 0.01 0.00 -1.07 0.00 0.00 179.97 179.42 2kcq h ALA 66 N 1.28 0.21 -0.56 0.04 0.00 -1.81 0.29 119.26 118.71 2kcq h ALA 66 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2kcq h ALA 66 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kcq h ALA 66 CO -0.06 -0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.20 2kcq h ALA 67 N 0.78 1.13 -0.60 0.00 0.00 -0.80 -0.28 119.26 119.49 2kcq h ALA 67 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kcq h ALA 67 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kcq h ALA 67 CO 0.01 0.58 0.06 0.22 0.00 0.00 0.00 179.25 180.11 2kcq h ASP 68 N 0.84 0.99 -0.36 0.00 1.82 0.12 -0.13 116.42 119.70 2kcq h ASP 68 Ca 0.18 -0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.47 2kcq h ASP 68 Cb 0.36 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2kcq h ASP 68 CO 0.01 1.02 -0.01 0.00 -1.61 0.00 0.00 179.24 178.65 2kcq h ALA 69 N 1.00 0.49 -0.22 -0.78 0.00 0.01 -0.36 119.26 119.39 2kcq h ALA 69 Ca 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2kcq h ALA 69 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kcq h ALA 69 CO 0.02 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 2kcq h ALA 70 N 0.86 1.45 -0.10 0.00 0.00 -0.95 0.31 119.26 120.83 2kcq h ALA 70 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kcq h ALA 70 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kcq h ALA 70 CO 0.02 0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.71 2kcq h ALA 71 N 1.59 0.13 -0.87 0.00 0.00 -0.59 -2.07 119.26 117.44 2kcq h ALA 71 Ca 0.07 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2kcq h ALA 71 Cb 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2kcq h ALA 71 CO 0.02 -0.33 0.55 1.96 0.00 0.00 0.00 179.25 181.45 2kcq h GLN 72 N 0.05 0.97 -0.83 0.00 1.08 -0.30 0.42 115.11 116.51 2kcq h GLN 72 Ca 0.03 -0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.28 2kcq h GLN 72 Cb 0.09 -0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 27.23 2kcq h GLN 72 CO -0.01 0.64 0.47 0.93 -0.95 0.00 0.00 178.83 179.92 2kcq h GLU 73 N 1.00 0.74 -0.22 1.46 5.08 -0.73 -0.75 114.58 121.16 2kcq h GLU 73 Ca 0.38 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2kcq h GLU 73 Cb 0.15 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kcq h GLU 73 CO -0.17 0.49 0.00 1.04 -1.00 0.00 0.00 179.01 179.38 2kcq n GLN 74 N -4.76 1.68 -1.56 2.33 6.02 -0.41 -4.88 117.38 115.79 2kcq n GLN 74 Ca 0.14 -1.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.01 2kcq n GLN 74 Cb 0.30 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 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 1.05 0.67 3.70 1.08 0.00 -0.29 -5.01 105.19 106.38 2kcq n GLY 75 Ca 0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.06 2.82 0.19 0.99 1.43 0.14 -4.88 118.68 117.31 2kcq s LEU 76 Ca 0.00 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 2kcq s LEU 76 Cb 0.00 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2kcq s LEU 76 CO 0.00 -0.59 0.10 1.51 0.23 0.00 0.00 176.35 177.60 2kcq s ASP 77 N -3.83 0.36 -0.49 2.29 -4.77 0.55 -2.80 116.67 108.00 2kcq s ASP 77 Ca 0.31 -1.33 -0.29 0.00 -3.30 0.00 0.00 52.55 47.94 2kcq s ASP 77 Cb 0.06 0.32 0.02 0.00 -1.09 0.00 0.00 42.92 42.23 2kcq s ASP 77 CO 0.16 -0.79 1.26 -0.69 0.70 0.00 0.00 175.17 175.81 2kcq s VAL 78 N -4.06 4.04 -0.82 2.11 1.01 -1.26 -0.85 120.40 120.57 2kcq s VAL 78 Ca 0.34 1.02 0.24 0.00 0.00 0.00 0.00 61.98 63.58 2kcq s VAL 78 Cb 0.07 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2kcq s VAL 78 CO 0.09 -1.02 1.27 1.33 0.00 0.00 0.00 175.10 176.77 2kcq n VAL 79 N 6.89 0.13 -1.22 2.92 0.24 0.07 -4.96 118.33 122.39 2kcq n VAL 79 Ca 0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kcq n VAL 79 Cb 0.49 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.52 3.18 7.63 0.00 -1.17 -1.22 105.19 113.52 2kcq n GLY 80 Ca 0.04 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.37 0.83 0.07 1.61 1.01 0.21 -0.25 120.40 121.51 2kcq s VAL 81 Ca 0.00 -1.82 0.04 0.00 0.00 0.00 0.00 61.98 60.20 2kcq s VAL 81 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2kcq s VAL 81 CO 0.00 -0.74 -0.11 -0.72 0.00 0.00 0.00 175.10 173.53 2kcq s TYR 82 N -3.11 1.00 0.15 5.22 -0.85 -0.62 -0.27 117.35 118.88 2kcq s TYR 82 Ca 0.10 -0.52 0.09 0.00 -0.52 0.00 0.00 57.07 56.21 2kcq s TYR 82 Cb 0.02 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 2kcq s TYR 82 CO -0.02 -0.00 -0.20 -1.01 -1.52 0.00 0.00 175.55 172.80 2kcq s HIS 83 N -1.60 1.87 -0.18 -3.49 3.76 0.37 -2.87 115.29 113.14 2kcq s HIS 83 Ca -0.03 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.37 2kcq s HIS 83 Cb -0.08 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2kcq s HIS 83 CO 0.01 0.32 0.07 -1.12 -0.85 0.00 0.00 174.74 173.16 2kcq s SER 84 N -2.46 5.67 -0.64 1.40 0.01 -1.25 -2.97 113.70 113.45 2kcq s SER 84 Ca 0.14 0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.53 2kcq s SER 84 Cb -0.07 -1.96 0.16 0.00 0.21 0.00 0.00 66.02 64.36 2kcq s SER 84 CO 0.06 0.19 0.43 -1.00 0.41 0.00 0.00 173.24 173.34 2kcq s HIS 85 N 0.26 3.43 -1.70 2.43 3.76 -0.92 -4.79 115.29 117.76 2kcq s HIS 85 Ca 0.04 -3.13 0.25 0.00 -0.15 0.00 0.00 55.06 52.07 2kcq s HIS 85 Cb -0.12 -2.91 0.46 0.00 1.11 0.00 0.00 32.58 31.12 2kcq s HIS 85 CO 0.00 -0.70 1.38 -0.35 -0.85 0.00 0.00 174.74 174.22 2kcq n PRO 86 N 2.72 0.79 -0.02 8.40 -0.04 -1.26 -3.59 135.00 142.00 2kcq n PRO 86 Ca 0.12 -0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 62.82 2kcq n PRO 86 Cb 0.35 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.63 2.07 -3.97 3.54 2.03 -1.26 -5.00 116.55 113.33 2kcq n ASP 87 Ca 0.10 0.24 -0.10 0.00 0.52 0.00 0.00 54.79 55.56 2kcq n ASP 87 Cb 0.38 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.52 0.42 0.00 -0.67 3.76 -1.26 -5.18 115.29 109.84 2kcq s HIS 88 Ca -0.24 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 2kcq s HIS 88 Cb 0.07 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.68 2kcq s HIS 88 CO 0.73 -0.71 0.00 -2.30 -0.85 0.00 0.00 174.74 171.60 2kcq n PRO 89 N -0.21 -0.86 0.00 8.40 -0.02 -1.26 -4.68 135.00 136.36 2kcq n PRO 89 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2kcq n PRO 89 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 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 -3.00 2.43 -2.87 3.55 0.00 -1.26 -4.74 120.51 114.62 2kcq n ALA 90 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2kcq n ALA 90 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.82 3.29 0.22 0.00 0.52 -1.26 -4.73 118.95 115.16 2kcq s ARG 91 Ca 0.00 -0.44 -0.31 0.00 -0.52 0.00 0.00 55.73 54.46 2kcq s ARG 91 Cb 0.00 -2.98 -0.11 0.00 0.52 0.00 0.00 34.95 32.38 2kcq s ARG 91 CO 0.00 0.63 1.61 -1.25 0.02 0.00 0.00 175.30 176.32 2kcq s PRO 92 N -2.14 4.17 0.34 3.54 0.04 -1.26 -5.01 135.00 134.69 2kcq s PRO 92 Ca 0.29 2.49 0.02 0.00 0.04 0.00 0.00 61.00 63.84 2kcq s PRO 92 Cb -0.13 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2kcq s PRO 92 CO 0.21 -0.64 0.47 0.43 0.04 0.00 0.00 177.00 177.51 2kcq n SER 93 N 3.40 0.89 -0.37 6.66 7.64 -1.26 -4.89 113.62 125.68 2kcq n SER 93 Ca 0.12 -1.69 -0.01 0.00 1.01 0.00 0.00 58.87 58.30 2kcq n SER 93 Cb 0.37 -0.28 0.12 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.14 1.29 -0.66 -0.43 0.00 -1.99 -1.39 119.26 115.94 2kcq h ALA 94 Ca -0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kcq h ALA 94 Cb 0.64 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2kcq h ALA 94 CO 0.19 0.62 0.13 1.79 0.00 0.00 0.00 179.25 181.98 2kcq h THR 95 N 1.32 1.26 -0.73 0.00 1.35 -1.97 0.10 112.91 114.24 2kcq h THR 95 Ca 0.38 -1.01 -0.05 0.00 -0.55 0.00 0.00 66.41 65.19 2kcq h THR 95 Cb -0.10 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 66.92 2kcq h THR 95 CO -0.10 0.38 0.27 0.44 -0.25 0.00 0.00 175.52 176.27 2kcq h ASP 96 N 1.01 1.02 -0.29 5.36 5.19 -1.78 0.19 116.42 127.12 2kcq h ASP 96 Ca 0.20 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2kcq h ASP 96 Cb 0.41 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2kcq h ASP 96 CO 0.01 0.91 0.05 0.25 -3.12 0.00 0.00 179.24 177.35 2kcq h LEU 97 N 1.07 0.45 -1.07 1.55 7.12 -0.92 -2.92 115.31 120.59 2kcq h LEU 97 Ca 0.24 -0.25 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2kcq h LEU 97 Cb 0.23 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 2kcq h LEU 97 CO -0.02 0.59 -0.35 -0.33 -0.13 0.00 0.00 178.44 178.20 2kcq h GLU 98 N 0.29 0.00 -0.70 1.25 5.08 -0.38 -2.24 114.58 117.89 2kcq h GLU 98 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2kcq h GLU 98 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kcq h GLU 98 CO 0.00 0.35 0.04 0.39 -1.00 0.00 0.00 179.01 178.80 2kcq n GLU 99 N -3.61 3.93 -3.64 2.33 1.02 0.65 -4.82 120.64 116.50 2kcq n GLU 99 Ca -0.01 -2.48 -0.40 0.00 -0.02 0.00 0.00 57.16 54.26 2kcq n GLU 99 Cb 0.47 -2.10 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 100 N -2.41 3.21 0.00 0.62 0.00 -0.84 -4.85 121.76 117.50 2kcq s ALA 100 Ca 0.43 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2kcq s ALA 100 Cb 0.33 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2kcq s ALA 100 CO 0.12 -1.44 0.27 -2.37 0.00 0.00 0.00 175.76 172.34 2kcq n THR 101 N 4.93 0.07 -3.56 0.00 5.66 -1.26 -4.98 114.28 115.13 2kcq n THR 101 Ca -0.12 -0.15 -0.40 0.00 -3.05 0.00 0.00 64.05 60.34 2kcq n THR 101 Cb 0.45 1.50 -0.06 0.00 -1.55 0.00 0.00 70.33 70.67 2kcq n THR 101 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2kcq s PHE 102 N -0.07 3.61 -1.32 1.09 0.08 -1.26 -4.98 117.98 115.13 2kcq s PHE 102 Ca 0.00 -2.52 -0.12 0.00 0.12 0.00 0.00 56.93 54.41 2kcq s PHE 102 Cb 0.00 -3.44 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 2kcq s PHE 102 CO 0.00 -0.88 2.44 -2.30 -0.10 0.00 0.00 175.22 174.37 2kcq n PRO 103 N 3.47 2.83 0.00 0.24 -0.02 -1.26 -3.15 135.00 137.10 2kcq n PRO 103 Ca 0.12 -2.12 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 2kcq n PRO 103 Cb 0.41 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 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 3.90 0.00 3.18 -1.23 0.00 -1.26 -4.76 105.19 105.01 2kcq n GLY 104 Ca 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 1.10 -0.31 1.61 0.40 -1.19 -4.92 117.98 114.67 2kcq s PHE 105 Ca 0.00 -0.60 -0.18 0.00 -0.60 0.00 0.00 56.93 55.55 2kcq s PHE 105 Cb 0.00 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 2kcq s PHE 105 CO 0.00 0.02 0.53 0.99 0.70 0.00 0.00 175.22 177.47 2kcq s THR 106 N -2.15 5.02 -0.46 0.64 2.01 -0.36 -4.01 115.64 116.32 2kcq s THR 106 Ca 0.04 0.60 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 2kcq s THR 106 Cb -0.05 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.57 2kcq s THR 106 CO 0.01 -0.11 0.62 -0.31 -0.69 0.00 0.00 174.62 174.14 2kcq s TYR 107 N 2.41 3.06 -0.21 4.92 1.51 0.11 -0.62 117.35 128.54 2kcq s TYR 107 Ca 0.21 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 2kcq s TYR 107 Cb -0.15 -3.38 -0.04 0.00 -0.11 0.00 0.00 41.96 38.28 2kcq s TYR 107 CO 0.12 -0.92 0.32 0.08 -1.11 0.00 0.00 175.55 174.03 2kcq s VAL 108 N 2.70 5.26 -0.19 0.71 1.01 0.63 0.66 120.40 131.18 2kcq s VAL 108 Ca 0.19 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2kcq s VAL 108 Cb -0.16 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2kcq s VAL 108 CO 0.16 0.29 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 2kcq s ILE 109 N 1.15 1.97 -0.14 2.22 1.01 0.47 -0.48 121.20 127.39 2kcq s ILE 109 Ca 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2kcq s ILE 109 Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2kcq s ILE 109 CO 0.06 0.40 -0.14 0.54 0.00 0.00 0.00 174.94 175.80 2kcq s VAL 110 N 1.30 2.87 -0.56 2.92 0.11 -1.16 -1.70 120.40 124.18 2kcq s VAL 110 Ca 0.02 -0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 58.08 2kcq s VAL 110 Cb -0.14 -2.20 0.03 0.00 -1.53 0.00 0.00 36.38 32.54 2kcq s VAL 110 CO -0.11 0.52 1.10 -0.55 -3.33 0.00 0.00 175.10 172.73 2kcq s SER 111 N 0.50 6.43 -0.23 3.54 0.15 0.17 -2.16 113.70 122.09 2kcq s SER 111 Ca -0.10 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 2kcq s SER 111 Cb -0.16 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2kcq s SER 111 CO 0.04 -1.37 -0.07 -0.69 1.20 0.00 0.00 173.24 172.35 2kcq s VAL 112 N 4.56 2.91 -0.74 4.45 1.01 -1.24 -0.54 120.40 130.81 2kcq s VAL 112 Ca 0.39 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2kcq s VAL 112 Cb -0.09 -2.41 0.20 0.00 0.00 0.00 0.00 36.38 34.07 2kcq s VAL 112 CO 0.24 0.30 0.64 -0.13 0.00 0.00 0.00 175.10 176.15 2kcq s ARG 113 N 1.36 3.23 -1.34 2.72 0.52 0.60 -4.37 118.95 121.67 2kcq s ARG 113 Ca 0.02 -2.44 -0.05 0.00 -0.52 0.00 0.00 55.73 52.74 2kcq s ARG 113 Cb -0.16 -4.19 0.02 0.00 0.52 0.00 0.00 34.95 31.15 2kcq s ARG 113 CO -0.05 -1.25 0.94 -3.47 0.02 0.00 0.00 175.30 171.49 2kcq n ASP 114 N 3.88 -3.30 0.00 0.23 2.03 -1.26 -1.78 116.55 116.35 2kcq n ASP 114 Ca 0.10 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.71 2kcq n ASP 114 Cb 0.44 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 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 -1.59 1.32 3.57 0.27 0.00 -1.26 -5.05 105.19 102.45 2kcq n GLY 115 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.33 3.49 -0.52 4.61 0.00 -0.74 -4.70 121.76 121.56 2kcq s ALA 116 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2kcq s ALA 116 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kcq s ALA 116 CO 0.00 -1.18 1.70 -2.14 0.00 0.00 0.00 175.76 174.14 2kcq s PRO 117 N 2.45 3.03 -0.02 0.00 0.02 -1.26 -0.29 135.00 138.93 2kcq s PRO 117 Ca 0.20 0.78 -0.01 0.00 0.02 0.00 0.00 61.00 61.99 2kcq s PRO 117 Cb -0.15 -4.25 -0.00 0.00 0.02 0.00 0.00 34.50 30.11 2kcq s PRO 117 CO 0.13 -2.25 -0.03 -1.91 -0.33 0.00 0.00 177.00 172.61 2kcq n GLU 118 N 8.81 0.05 -3.98 5.54 2.13 0.30 -4.98 120.64 128.52 2kcq n GLU 118 Ca 0.19 0.19 -0.24 0.00 0.66 0.00 0.00 57.16 57.95 2kcq n GLU 118 Cb 0.50 -0.76 -0.17 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 -2.98 1.00 -0.21 4.31 0.00 -1.11 -4.98 121.76 117.79 2kcq s ALA 119 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 2kcq s ALA 119 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2kcq s ALA 119 CO 0.03 -0.30 0.01 -1.17 0.00 0.00 0.00 175.76 174.34 2kcq s LEU 120 N 1.53 3.28 0.04 0.00 0.20 -1.26 0.44 118.68 122.90 2kcq s LEU 120 Ca -0.00 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.59 2kcq s LEU 120 Cb -0.13 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2kcq s LEU 120 CO -0.04 0.03 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.13 2kcq s THR 121 N 1.19 0.17 0.07 3.68 2.01 -0.69 -5.01 115.64 117.07 2kcq s THR 121 Ca 0.03 -1.43 0.08 0.00 0.31 0.00 0.00 61.69 60.68 2kcq s THR 121 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2kcq s THR 121 CO 0.02 -0.79 -0.21 0.00 -0.69 0.00 0.00 174.62 172.95 2kcq s ALA 122 N -2.91 1.76 -0.01 7.40 0.00 -1.26 -0.40 121.76 126.34 2kcq s ALA 122 Ca -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.84 2kcq s ALA 122 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2kcq s ALA 122 CO -0.06 0.38 -0.09 -1.58 0.00 0.00 0.00 175.76 174.40 2kcq s TRP 123 N -0.94 0.85 -0.19 0.00 0.52 0.21 0.03 118.94 119.42 2kcq s TRP 123 Ca 0.07 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 55.95 2kcq s TRP 123 Cb -0.09 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.64 2kcq s TRP 123 CO 0.03 -0.03 0.05 0.00 0.02 0.00 0.00 176.95 177.02 2kcq s ALA 124 N -0.16 3.33 0.06 0.98 0.00 0.14 0.09 121.76 126.20 2kcq s ALA 124 Ca 0.03 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 2kcq s ALA 124 Cb -0.04 -1.90 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 2kcq s ALA 124 CO -0.00 0.10 0.80 -1.17 0.00 0.00 0.00 175.76 175.49 2kcq s LEU 125 N 0.52 4.46 0.51 0.00 2.96 -1.26 -0.30 118.68 125.58 2kcq s LEU 125 Ca 0.02 1.51 -0.21 0.00 -0.22 0.00 0.00 54.13 55.23 2kcq s LEU 125 Cb -0.13 -3.29 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 2kcq s LEU 125 CO 0.01 0.00 1.17 0.00 -1.32 0.00 0.00 176.35 176.22 2kcq s ALA 126 N -0.06 2.81 0.57 5.97 0.00 -0.84 -4.54 121.76 125.67 2kcq s ALA 126 Ca 0.40 0.94 0.27 0.00 0.00 0.00 0.00 51.96 53.56 2kcq s ALA 126 Cb -0.21 -3.40 1.69 0.00 0.00 0.00 0.00 23.12 21.20 2kcq s ALA 126 CO 0.24 -0.82 2.22 -1.35 0.00 0.00 0.00 175.76 176.05 2kcq h PRO 127 N 1.56 0.00 0.00 0.00 0.11 -1.91 0.22 132.00 131.98 2kcq h PRO 127 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kcq h PRO 127 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kcq h PRO 127 CO 0.58 0.00 -0.35 -3.47 -0.21 0.00 0.00 178.00 174.55 2kcq n ASP 128 N -4.00 0.42 -1.24 -2.05 2.03 -1.26 -4.90 116.55 105.55 2kcq n ASP 128 Ca -0.02 0.09 -0.15 0.00 0.52 0.00 0.00 54.79 55.22 2kcq n ASP 128 Cb 0.11 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.41 2kcq n ASP 128 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kcq n ARG 129 N -1.67 -1.07 -0.08 -0.67 0.63 0.76 -4.90 116.66 109.65 2kcq n ARG 129 Ca 0.05 0.99 -0.08 0.00 -0.92 0.00 0.00 57.85 57.90 2kcq n ARG 129 Cb 0.36 -5.16 0.09 0.00 0.45 0.00 0.00 32.46 28.20 2kcq n ARG 129 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2kcq h SER 130 N 0.00 0.77 -5.13 6.15 4.64 -1.91 -3.48 113.55 114.59 2kcq h SER 130 Ca -0.32 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2kcq h SER 130 Cb 1.03 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 2kcq h SER 130 CO 0.45 0.99 0.36 -1.83 -0.87 0.00 0.00 176.83 175.93 2kcq s GLU 131 N -4.54 1.79 0.15 4.77 -1.05 -1.26 -5.07 118.70 113.49 2kcq s GLU 131 Ca -0.09 -1.10 0.05 0.00 -0.15 0.00 0.00 54.97 53.68 2kcq s GLU 131 Cb 0.13 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.32 2kcq s GLU 131 CO 0.84 -0.83 0.10 -0.06 0.95 0.00 0.00 175.26 176.25 2kcq s PHE 132 N -2.80 3.10 -0.03 4.83 0.08 -1.26 -1.98 117.98 119.92 2kcq s PHE 132 Ca 0.15 -0.02 0.06 0.00 0.12 0.00 0.00 56.93 57.24 2kcq s PHE 132 Cb -0.04 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2kcq s PHE 132 CO 0.08 0.52 -0.20 -1.01 -0.10 0.00 0.00 175.22 174.50 2kcq s HIS 133 N -1.68 1.88 0.05 0.36 3.76 0.59 -4.94 115.29 115.31 2kcq s HIS 133 Ca 0.30 -0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 54.49 2kcq s HIS 133 Cb -0.10 -1.22 -0.07 0.00 1.11 0.00 0.00 32.58 32.29 2kcq s HIS 133 CO 0.22 -0.08 1.47 0.50 -0.85 0.00 0.00 174.74 176.00 2kcq s ARG 134 N -0.34 4.27 0.58 1.40 3.52 -1.26 0.27 118.95 127.39 2kcq s ARG 134 Ca 0.04 2.09 -0.04 0.00 -0.13 0.00 0.00 55.73 57.69 2kcq s ARG 134 Cb -0.09 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2kcq s ARG 134 CO 0.00 -0.58 0.87 -1.21 -0.81 0.00 0.00 175.30 173.57 2kcq s GLU 135 N 2.12 2.79 -0.03 5.12 0.41 0.10 -4.83 118.70 124.38 2kcq s GLU 135 Ca 0.67 -0.21 0.07 0.00 -0.41 0.00 0.00 54.97 55.08 2kcq s GLU 135 Cb -0.35 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.65 2kcq s GLU 135 CO 0.29 -0.71 -0.23 0.34 -0.49 0.00 0.00 175.26 174.46 2kcq s ASP 136 N -4.33 3.32 -0.37 -0.19 -1.08 -1.26 -4.64 116.67 108.12 2kcq s ASP 136 Ca 0.54 -0.39 -0.16 0.00 -0.52 0.00 0.00 52.55 52.02 2kcq s ASP 136 Cb -0.10 -0.49 0.00 0.00 -1.46 0.00 0.00 42.92 40.87 2kcq s ASP 136 CO 0.43 0.33 0.40 -0.63 0.52 0.00 0.00 175.17 176.22 2kcq s ILE 137 N -0.64 5.12 0.08 4.11 -1.09 -1.26 0.19 121.20 127.72 2kcq s ILE 137 Ca 0.10 -0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.50 2kcq s ILE 137 Cb -0.10 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2kcq s ILE 137 CO -0.01 -0.22 -0.10 0.68 -1.23 0.00 0.00 174.94 174.07 2kcq s VAL 138 N 2.10 0.84 0.27 2.92 -7.23 -0.42 -5.00 120.40 113.88 2kcq s VAL 138 Ca 0.13 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 2kcq s VAL 138 Cb -0.17 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.48 2kcq s VAL 138 CO 0.12 -0.52 0.82 -0.13 -0.31 0.00 0.00 175.10 175.09 2kcq s ARG 139 N -2.54 4.41 -0.05 4.82 3.00 -1.25 -0.68 118.95 126.66 2kcq s ARG 139 Ca 0.02 1.08 -0.30 0.00 0.00 0.00 0.00 55.73 56.54 2kcq s ARG 139 Cb -0.04 -2.85 -0.05 0.00 0.00 0.00 0.00 34.95 32.01 2kcq s ARG 139 CO -0.00 0.35 1.51 -1.25 0.00 0.00 0.00 175.30 175.91 2kcq s PRO 140 N -1.99 4.22 0.21 3.54 0.04 -1.26 -4.79 135.00 134.98 2kcq s PRO 140 Ca 0.46 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 2kcq s PRO 140 Cb -0.18 -3.80 -0.15 0.00 0.04 0.00 0.00 34.50 30.41 2kcq s PRO 140 CO 0.22 -0.74 1.08 -3.47 0.04 0.00 0.00 177.00 174.14 2kcq n ASP 141 N 6.44 1.20 -0.88 6.66 -0.08 -1.26 -4.74 116.55 123.89 2kcq n ASP 141 Ca 0.15 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.59 2kcq n ASP 141 Cb 0.43 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.67 2kcq n ASP 141 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2kcq n PRO 142 N 1.41 0.23 -0.13 -0.67 -0.02 -1.26 -1.21 135.00 133.35 2kcq n PRO 142 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 2kcq n PRO 142 Cb 0.27 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.34 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 143 N 0.77 0.56 -3.92 -0.52 1.02 -1.26 -5.04 120.64 112.25 2kcq n GLU 143 Ca 0.00 0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 57.05 2kcq n GLU 143 Cb 0.10 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq n ALA 144 N -4.25 -2.73 -2.08 0.62 0.00 -0.35 -4.91 120.51 106.81 2kcq n ALA 144 Ca -0.46 -0.41 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 2kcq n ALA 144 Cb 0.81 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 2kcq n ALA 144 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kcq s PRO 145 N -5.96 3.72 0.65 0.00 0.04 -1.26 -5.09 135.00 127.10 2kcq s PRO 145 Ca 0.19 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.75 2kcq s PRO 145 Cb -0.11 -2.28 0.14 0.00 0.04 0.00 0.00 34.50 32.29 2kcq s PRO 145 CO 0.92 -0.22 0.89 1.28 0.04 0.00 0.00 177.00 179.92 2kcq n LEU 146 N -1.84 0.00 0.27 -3.56 4.32 -1.26 -4.89 117.00 110.04 2kcq n LEU 146 Ca 0.03 -1.57 0.14 0.00 -0.02 0.00 0.00 56.01 54.60 2kcq n LEU 146 Cb 0.54 -0.61 0.79 0.00 -1.62 0.00 0.00 43.42 42.52 2kcq n LEU 146 CO 0.51 -1.00 1.01 -0.33 -1.22 0.00 0.00 177.39 176.35 2kcq h GLU 147 N 0.00 0.00 -3.31 3.23 3.07 -2.01 -3.42 114.58 112.13 2kcq h GLU 147 Ca -0.29 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.39 2kcq h GLU 147 Cb 0.99 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.64 2kcq h GLU 147 CO 0.28 0.09 -0.50 -3.38 -1.40 0.00 0.00 179.01 174.09 2kcq s HIS 148 N -4.20 -0.17 -0.70 4.33 -3.43 -1.26 -5.11 115.29 104.75 2kcq s HIS 148 Ca -0.03 0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 54.44 2kcq s HIS 148 Cb 0.13 0.06 0.09 0.00 -1.43 0.00 0.00 32.58 31.42 2kcq s HIS 148 CO 0.56 -0.12 0.95 -1.58 -2.00 0.00 0.00 174.74 172.55 2kcq s HIS 149 N -0.07 2.81 -0.25 0.38 2.46 -1.26 -5.00 115.29 114.36 2kcq s HIS 149 Ca -0.02 -0.78 -0.06 0.00 0.47 0.00 0.00 55.06 54.67 2kcq s HIS 149 Cb -0.02 -4.24 -0.01 0.00 -0.13 0.00 0.00 32.58 28.18 2kcq s HIS 149 CO 0.00 -1.56 0.03 -1.58 -2.47 0.00 0.00 174.74 169.16 2kcq s HIS 150 N 3.56 3.06 0.52 3.88 5.04 -1.26 -5.10 115.29 124.99 2kcq s HIS 150 Ca 0.22 -0.82 -0.19 0.00 -1.54 0.00 0.00 55.06 52.74 2kcq s HIS 150 Cb -0.16 -2.19 -0.07 0.00 0.04 0.00 0.00 32.58 30.20 2kcq s HIS 150 CO 0.06 -0.51 1.04 -3.38 -2.34 0.00 0.00 174.74 169.61 2kcq s HIS 151 N 1.52 3.01 0.17 3.88 -3.43 -1.26 -4.97 115.29 114.21 2kcq s HIS 151 Ca 0.05 1.55 -0.04 0.00 -0.80 0.00 0.00 55.06 55.82 2kcq s HIS 151 Cb -0.15 -3.04 0.04 0.00 -1.43 0.00 0.00 32.58 27.99 2kcq s HIS 151 CO 0.00 -0.91 1.44 1.25 -2.00 0.00 0.00 174.74 174.52 2kcq h HIS 152 N 1.19 0.70 0.00 0.38 2.76 -2.05 -3.57 115.15 114.55 2kcq h HIS 152 Ca -0.49 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 2kcq h HIS 152 Cb 1.22 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2kcq h HIS 152 CO 0.57 1.05 0.00 0.72 -1.30 0.00 0.00 177.93 178.97