#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 3.46 0.30 2.12 3.01 -0.18 -1.27 119.74 127.18 2kcq s LYS 2 Ca 0.00 -0.62 -0.19 0.00 -1.01 0.00 0.00 55.97 54.15 2kcq s LYS 2 Cb 0.00 -3.39 0.04 0.00 -1.01 0.00 0.00 37.83 33.47 2kcq s LYS 2 CO 0.00 -0.30 0.79 -0.08 0.51 0.00 0.00 175.35 176.27 2kcq s THR 3 N 1.59 0.00 0.03 2.17 -1.32 -0.90 -0.37 115.64 116.84 2kcq s THR 3 Ca 0.05 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 2kcq s THR 3 Cb -0.16 -2.38 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2kcq s THR 3 CO 0.04 0.00 0.14 0.42 -2.21 0.00 0.00 174.62 173.01 2kcq s THR 4 N -3.16 5.04 0.54 5.08 -4.23 -1.26 -4.13 115.64 113.51 2kcq s THR 4 Ca 0.13 -0.44 0.26 0.00 -1.18 0.00 0.00 61.69 60.46 2kcq s THR 4 Cb -0.05 -3.39 0.38 0.00 1.34 0.00 0.00 72.50 70.78 2kcq s THR 4 CO 0.08 0.23 2.01 1.55 -0.54 0.00 0.00 174.62 177.95 2kcq h PRO 5 N 3.53 0.00 -0.70 3.99 0.13 -1.99 -0.60 132.00 136.36 2kcq h PRO 5 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2kcq h PRO 5 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2kcq h PRO 5 CO 0.69 0.00 0.36 0.22 -0.23 0.00 0.00 178.00 179.04 2kcq h ASP 6 N 0.00 0.49 -0.41 1.44 1.82 -1.99 0.23 116.42 118.00 2kcq h ASP 6 Ca 0.21 0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.80 2kcq h ASP 6 Cb 0.91 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 2kcq h ASP 6 CO -0.00 0.29 -0.15 0.40 -1.61 0.00 0.00 179.24 178.17 2kcq h ILE 7 N 0.63 1.28 -0.86 2.25 1.08 -1.52 -2.18 117.51 118.20 2kcq h ILE 7 Ca 0.34 -1.27 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 2kcq h ILE 7 Cb 0.32 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 2kcq h ILE 7 CO -0.24 0.43 0.54 -0.07 -0.69 0.00 0.00 178.15 178.11 2kcq h LEU 8 N 0.63 0.85 -0.42 1.44 3.38 -1.22 -0.33 115.31 119.64 2kcq h LEU 8 Ca 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2kcq h LEU 8 Cb 0.69 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kcq h LEU 8 CO 0.05 0.55 0.13 -0.78 0.09 0.00 0.00 178.44 178.48 2kcq h ASP 9 N 0.99 0.61 -0.03 -0.43 3.58 -0.81 -2.54 116.42 117.80 2kcq h ASP 9 Ca 0.37 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2kcq h ASP 9 Cb 0.14 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2kcq h ASP 9 CO -0.16 0.66 -0.02 1.56 -2.88 0.00 0.00 179.24 178.40 2kcq h GLN 10 N 0.53 0.15 -0.27 0.28 4.20 -0.68 -0.51 115.11 118.81 2kcq h GLN 10 Ca 0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2kcq h GLN 10 Cb 0.27 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2kcq h GLN 10 CO -0.00 0.19 0.13 0.82 -0.67 0.00 0.00 178.83 179.29 2kcq h ILE 11 N 0.15 1.15 -0.68 2.54 2.04 -0.68 0.20 117.51 122.23 2kcq h ILE 11 Ca 0.04 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2kcq h ILE 11 Cb 0.14 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2kcq h ILE 11 CO 0.00 0.15 0.18 0.03 0.00 0.00 0.00 178.15 178.51 2kcq h ARG 12 N 0.29 1.08 -0.20 2.37 3.08 -1.06 0.04 114.38 119.98 2kcq h ARG 12 Ca 0.09 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2kcq h ARG 12 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2kcq h ARG 12 CO -0.01 0.94 0.05 0.28 -1.07 0.00 0.00 179.97 180.16 2kcq h VAL 13 N 1.03 1.21 0.00 2.04 2.07 -0.92 -2.85 116.25 118.83 2kcq h VAL 13 Ca 0.22 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2kcq h VAL 13 Cb 0.34 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2kcq h VAL 13 CO -0.00 0.21 -0.20 0.45 0.02 0.00 0.00 177.57 178.05 2kcq h HIS 14 N 0.14 0.00 -0.52 1.57 3.86 -0.33 0.21 115.15 120.07 2kcq h HIS 14 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2kcq h HIS 14 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2kcq h HIS 14 CO 0.01 0.20 0.30 0.78 0.86 0.00 0.00 177.93 180.09 2kcq h GLY 15 N 0.91 0.76 2.00 2.45 0.00 -0.77 -0.69 103.07 107.73 2kcq h GLY 15 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2kcq h GLY 15 CO 0.03 0.32 -0.65 0.00 0.00 0.00 0.00 176.54 176.24 2kcq h ALA 16 N 1.14 0.91 -0.78 3.60 0.00 -1.14 -3.03 119.26 119.96 2kcq h ALA 16 Ca 0.19 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kcq h ALA 16 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2kcq h ALA 16 CO -0.03 0.81 0.51 0.22 0.00 0.00 0.00 179.25 180.76 2kcq h ASP 17 N 0.00 0.82 -0.53 0.00 3.58 -0.12 -2.29 116.42 117.88 2kcq h ASP 17 Ca -0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2kcq h ASP 17 Cb 1.16 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2kcq h ASP 17 CO 0.08 0.56 0.30 0.00 -2.88 0.00 0.00 179.24 177.30 2kcq h ALA 18 N 1.55 0.68 -2.55 -0.78 0.00 -1.01 -3.44 119.26 113.70 2kcq h ALA 18 Ca 0.31 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 18 Cb 0.07 -0.21 0.11 0.00 0.00 0.00 0.00 17.79 17.76 2kcq h ALA 18 CO -0.09 0.18 0.49 0.66 0.00 0.00 0.00 179.25 180.49 2kcq n TYR 19 N -4.65 2.22 1.43 0.00 4.02 -0.86 -0.72 117.16 118.60 2kcq n TYR 19 Ca 0.03 0.55 0.14 0.00 -0.01 0.00 0.00 57.90 58.60 2kcq n TYR 19 Cb 0.07 -2.40 0.51 0.00 -0.02 0.00 0.00 39.34 37.50 2kcq n TYR 19 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kcq n PRO 20 N 0.47 1.24 -1.78 -0.72 -0.04 -1.26 -5.02 135.00 127.88 2kcq n PRO 20 Ca 0.05 -0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 62.55 2kcq n PRO 20 Cb 0.37 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.48 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kcq s GLU 21 N -2.22 1.14 -0.11 0.54 2.02 0.10 -5.03 118.70 115.14 2kcq s GLU 21 Ca 0.33 -0.04 -0.20 0.00 0.02 0.00 0.00 54.97 55.08 2kcq s GLU 21 Cb 0.20 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2kcq s GLU 21 CO 0.41 -2.14 0.57 -2.00 0.02 0.00 0.00 175.26 172.12 2kcq s GLU 22 N -5.61 4.36 -0.30 1.61 2.12 -1.26 -4.82 118.70 114.81 2kcq s GLU 22 Ca 0.67 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 56.60 2kcq s GLU 22 Cb -0.09 -3.45 0.19 0.00 0.26 0.00 0.00 34.13 31.04 2kcq s GLU 22 CO 0.52 0.09 0.70 0.20 -0.54 0.00 0.00 175.26 176.23 2kcq s GLY 23 N 0.73 -1.01 0.44 -1.50 0.00 -1.26 -5.07 107.32 99.65 2kcq s GLY 23 Ca 0.30 1.70 0.07 0.00 0.00 0.00 0.00 44.72 46.79 2kcq s GLY 23 CO 0.13 3.63 0.54 0.00 0.00 0.00 0.00 173.10 177.40 2kcq s GLY 25 N -3.91 -0.18 0.24 0.00 0.00 -1.24 -3.44 107.32 98.79 2kcq s GLY 25 Ca 0.41 0.19 0.11 0.00 0.00 0.00 0.00 44.72 45.44 2kcq s GLY 25 CO 0.26 2.49 -0.21 -1.36 0.00 0.00 0.00 173.10 174.28 2kcq s PHE 26 N -2.32 2.26 -0.14 1.90 0.40 -1.25 -1.98 117.98 116.86 2kcq s PHE 26 Ca 0.21 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 56.04 2kcq s PHE 26 Cb 0.01 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 2kcq s PHE 26 CO -0.00 0.60 0.34 -0.51 0.70 0.00 0.00 175.22 176.35 2kcq s LEU 27 N -3.12 4.27 -0.10 -0.37 1.43 0.82 -3.57 118.68 118.04 2kcq s LEU 27 Ca 0.25 0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2kcq s LEU 27 Cb -0.06 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2kcq s LEU 27 CO 0.12 0.10 -0.03 -0.76 0.23 0.00 0.00 176.35 176.01 2kcq s LEU 28 N 0.34 3.36 0.00 1.79 1.43 -0.10 -2.38 118.68 123.12 2kcq s LEU 28 Ca 0.19 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2kcq s LEU 28 Cb -0.14 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2kcq s LEU 28 CO 0.06 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.57 2kcq n GLY 29 N 2.53 1.55 3.02 -3.19 0.00 -0.15 -0.44 105.19 108.52 2kcq n GLY 29 Ca -0.18 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.04 0.52 -0.06 2.61 -4.23 -0.37 0.69 115.64 112.77 2kcq s THR 30 Ca 0.00 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 2kcq s THR 30 Cb 0.00 -0.53 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 2kcq s THR 30 CO 0.00 -0.16 0.45 -0.69 -0.54 0.00 0.00 174.62 173.69 2kcq s VAL 31 N -0.84 5.10 -2.00 2.29 1.01 -1.26 -0.64 120.40 124.06 2kcq s VAL 31 Ca -0.04 0.92 0.12 0.00 0.00 0.00 0.00 61.98 62.98 2kcq s VAL 31 Cb -0.07 -3.78 0.34 0.00 0.00 0.00 0.00 36.38 32.87 2kcq s VAL 31 CO 0.00 0.43 1.16 0.35 0.00 0.00 0.00 175.10 177.05 2kcq n THR 32 N 2.88 0.00 0.00 3.92 -2.24 0.85 -4.81 114.28 114.88 2kcq n THR 32 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2kcq n THR 32 Cb 0.52 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2kcq n THR 32 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kcq n ASP 33 N -0.86 0.00 0.09 3.42 2.03 -1.26 -4.64 116.55 115.33 2kcq n ASP 33 Ca 0.09 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.25 2kcq n ASP 33 Cb 0.04 -0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kcq h ASP 34 N 0.00 0.50 0.00 1.67 3.58 -2.03 -3.47 116.42 116.68 2kcq h ASP 34 Ca 0.00 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kcq h ASP 34 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kcq h ASP 34 CO 0.00 1.31 0.00 0.61 -2.88 0.00 0.00 179.24 178.28 2kcq n GLY 35 N 1.24 0.25 3.84 -0.78 0.00 -1.26 -5.14 105.19 103.34 2kcq n GLY 35 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 6.84 -0.06 1.61 1.11 -1.26 -4.91 116.67 119.99 2kcq s ASP 36 Ca 0.00 1.26 0.05 0.00 0.18 0.00 0.00 52.55 54.04 2kcq s ASP 36 Cb 0.00 -2.36 -0.01 0.00 1.07 0.00 0.00 42.92 41.62 2kcq s ASP 36 CO 0.00 -0.10 -0.22 0.54 1.18 0.00 0.00 175.17 176.57 2kcq s ASN 37 N -2.07 2.72 0.05 0.27 2.20 -1.26 -0.11 114.94 116.74 2kcq s ASN 37 Ca 0.49 -0.46 0.07 0.00 -0.94 0.00 0.00 52.86 52.02 2kcq s ASN 37 Cb -0.12 -0.87 -0.03 0.00 -2.00 0.00 0.00 41.25 38.22 2kcq s ASN 37 CO 0.19 0.19 -0.18 0.00 -2.94 0.00 0.00 177.10 174.36 2kcq s ARG 38 N 0.04 2.07 -0.27 3.55 1.70 0.19 -1.02 118.95 125.21 2kcq s ARG 38 Ca -0.07 -0.99 -0.13 0.00 -0.47 0.00 0.00 55.73 54.08 2kcq s ARG 38 Cb -0.14 -2.19 -0.04 0.00 -0.57 0.00 0.00 34.95 32.00 2kcq s ARG 38 CO 0.04 0.54 0.27 0.08 -1.08 0.00 0.00 175.30 175.15 2kcq s VAL 39 N -0.94 5.26 -0.09 4.99 1.01 0.50 -1.23 120.40 129.89 2kcq s VAL 39 Ca 0.15 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.55 2kcq s VAL 39 Cb -0.11 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 2kcq s VAL 39 CO 0.06 0.22 0.02 0.00 0.00 0.00 0.00 175.10 175.40 2kcq n ALA 40 N 5.07 1.77 -3.22 5.51 0.00 0.42 -4.74 120.51 125.32 2kcq n ALA 40 Ca -0.12 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 2kcq n ALA 40 Cb 0.51 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 2kcq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcq s ALA 41 N -2.22 -0.77 -0.01 0.00 0.00 0.21 -4.99 121.76 113.98 2kcq s ALA 41 Ca -0.05 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2kcq s ALA 41 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2kcq s ALA 41 CO 0.37 -0.21 0.10 -0.51 0.00 0.00 0.00 175.76 175.50 2kcq s LEU 42 N -0.64 3.98 -0.02 0.00 1.43 -1.26 -0.92 118.68 121.24 2kcq s LEU 42 Ca -0.07 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2kcq s LEU 42 Cb -0.04 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2kcq s LEU 42 CO 0.02 0.28 -0.07 -1.38 0.23 0.00 0.00 176.35 175.43 2kcq s HIS 43 N -1.20 0.80 -0.07 0.29 -3.43 -1.23 -4.97 115.29 105.48 2kcq s HIS 43 Ca 0.23 -0.19 -0.15 0.00 -0.80 0.00 0.00 55.06 54.15 2kcq s HIS 43 Cb -0.12 -0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 30.39 2kcq s HIS 43 CO 0.14 -0.09 0.38 0.50 -2.00 0.00 0.00 174.74 173.67 2kcq s ARG 44 N 0.24 4.08 -0.47 -0.38 6.06 -1.26 -3.94 118.95 123.28 2kcq s ARG 44 Ca -0.03 0.32 -0.30 0.00 -2.50 0.00 0.00 55.73 53.21 2kcq s ARG 44 Cb -0.08 -3.32 -0.10 0.00 0.06 0.00 0.00 34.95 31.51 2kcq s ARG 44 CO 0.00 0.46 2.35 0.00 -2.50 0.00 0.00 175.30 175.61 2kcq n ALA 45 N 2.71 1.00 -3.65 6.12 0.00 -1.22 -4.91 120.51 120.56 2kcq n ALA 45 Ca -0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2kcq n ALA 45 Cb 0.52 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 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 9.45 -0.02 0.01 0.00 2.01 -1.26 -5.00 115.64 120.83 2kcq s THR 46 Ca 1.08 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 2kcq s THR 46 Cb -0.58 -0.70 0.06 0.00 0.01 0.00 0.00 72.50 71.29 2kcq s THR 46 CO 0.39 0.03 0.61 0.54 -0.69 0.00 0.00 174.62 175.49 2kcq s ASN 47 N 1.31 -0.57 0.00 3.53 2.20 -1.26 -5.04 114.94 115.11 2kcq s ASN 47 Ca -0.08 0.43 0.00 0.00 -0.94 0.00 0.00 52.86 52.27 2kcq s ASN 47 Cb -0.07 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.71 2kcq s ASN 47 CO -0.13 -0.69 0.01 0.54 -2.94 0.00 0.00 177.10 173.89 2kcq n ARG 48 N 0.58 0.66 -3.68 3.55 5.12 -1.26 -5.08 116.66 116.55 2kcq n ARG 48 Ca -0.19 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.60 2kcq n ARG 48 Cb 0.59 -0.13 -0.12 0.00 -1.16 0.00 0.00 32.46 31.64 2kcq n ARG 48 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2kcq s ARG 49 N -0.10 0.21 0.16 5.56 3.52 -1.26 -5.13 118.95 121.92 2kcq s ARG 49 Ca 0.00 0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 56.05 2kcq s ARG 49 Cb 0.00 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.32 2kcq s ARG 49 CO 0.00 -0.24 1.31 -1.12 -0.81 0.00 0.00 175.30 174.43 2kcq s SER 50 N 2.11 6.92 0.45 -2.12 0.01 -1.26 -4.98 113.70 114.82 2kcq s SER 50 Ca -0.03 2.32 -0.22 0.00 1.31 0.00 0.00 55.95 59.33 2kcq s SER 50 Cb -0.11 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 2kcq s SER 50 CO -0.10 -0.54 1.06 -1.61 0.41 0.00 0.00 173.24 172.47 2kcq s GLU 51 N 0.35 3.94 0.48 12.44 8.01 -1.26 -5.05 118.70 137.61 2kcq s GLU 51 Ca 0.59 1.50 -0.13 0.00 0.01 0.00 0.00 54.97 56.94 2kcq s GLU 51 Cb -0.35 -2.34 -0.07 0.00 -4.31 0.00 0.00 34.13 27.06 2kcq s GLU 51 CO 0.35 -0.33 0.89 -1.14 0.01 0.00 0.00 175.26 175.03 2kcq s GLN 52 N -2.82 3.82 0.23 1.61 2.00 -1.26 -4.91 119.66 118.33 2kcq s GLN 52 Ca 0.63 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 54.68 2kcq s GLN 52 Cb -0.21 -2.25 0.00 0.00 0.80 0.00 0.00 33.01 31.35 2kcq s GLN 52 CO 0.26 -0.20 0.00 0.54 -0.50 0.00 0.00 175.29 175.38 2kcq n ARG 53 N -1.63 -1.30 -4.06 1.67 1.74 -1.26 -4.92 116.66 106.90 2kcq n ARG 53 Ca 0.04 0.86 -0.31 0.00 -0.77 0.00 0.00 57.85 57.67 2kcq n ARG 53 Cb 0.54 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 2kcq n ARG 53 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2kcq n THR 54 N -2.44 -2.07 -2.61 0.55 -1.04 -1.26 -4.80 114.28 100.60 2kcq n THR 54 Ca 0.00 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.36 2kcq n THR 54 Cb 0.29 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2kcq n THR 54 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kcq n ARG 55 N -4.43 3.22 -3.92 -2.82 1.74 -1.26 -4.82 116.66 104.37 2kcq n ARG 55 Ca -0.10 -3.34 -0.30 0.00 -0.77 0.00 0.00 57.85 53.34 2kcq n ARG 55 Cb 0.58 -3.45 -0.14 0.00 -1.02 0.00 0.00 32.46 28.43 2kcq n ARG 55 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kcq s ARG 56 N 3.95 1.65 0.37 5.56 3.00 -1.26 -5.11 118.95 127.12 2kcq s ARG 56 Ca 0.53 -2.23 -0.26 0.00 0.00 0.00 0.00 55.73 53.77 2kcq s ARG 56 Cb 0.03 -3.05 -0.09 0.00 0.00 0.00 0.00 34.95 31.85 2kcq s ARG 56 CO 0.07 -1.06 1.17 1.52 0.00 0.00 0.00 175.30 177.00 2kcq s TYR 57 N 0.25 3.15 -0.36 -0.53 1.13 -1.26 -4.22 117.35 115.51 2kcq s TYR 57 Ca 0.15 1.56 -0.11 0.00 -1.41 0.00 0.00 57.07 57.26 2kcq s TYR 57 Cb -0.23 -3.40 0.01 0.00 -1.10 0.00 0.00 41.96 37.24 2kcq s TYR 57 CO -0.04 -1.23 0.34 0.39 -2.51 0.00 0.00 175.55 172.50 2kcq n GLU 58 N 0.33 -2.61 0.00 -3.49 4.71 -1.26 -5.00 120.64 113.31 2kcq n GLU 58 Ca 0.03 2.22 0.00 0.00 -0.01 0.00 0.00 57.16 59.39 2kcq n GLU 58 Cb 0.46 -4.89 0.00 0.00 -1.01 0.00 0.00 31.44 26.00 2kcq n GLU 58 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2kcq n LEU 59 N 0.20 0.40 -3.81 -4.62 -0.00 -1.26 -5.11 117.00 102.80 2kcq n LEU 59 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.94 2kcq n LEU 59 Cb 0.32 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.65 2kcq n LEU 59 CO 0.44 -0.00 -0.06 0.42 -0.00 0.00 0.00 177.39 178.19 2kcq s THR 60 N -1.30 0.08 0.82 1.47 -4.23 -1.26 -5.16 115.64 106.06 2kcq s THR 60 Ca 0.00 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2kcq s THR 60 Cb 0.00 -0.69 0.09 0.00 1.34 0.00 0.00 72.50 73.24 2kcq s THR 60 CO 0.00 -0.37 1.12 0.00 -0.54 0.00 0.00 174.62 174.84 2kcq s ALA 61 N -1.82 1.95 0.88 3.99 0.00 -1.26 -4.80 121.76 120.70 2kcq s ALA 61 Ca -0.11 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 2kcq s ALA 61 Cb -0.04 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.84 2kcq s ALA 61 CO 0.01 -2.15 1.10 0.34 0.00 0.00 0.00 175.76 175.06 2kcq s ASP 62 N -2.97 3.47 0.00 0.00 2.15 -1.26 -2.48 116.67 115.57 2kcq s ASP 62 Ca 0.65 1.75 0.00 0.00 0.43 0.00 0.00 52.55 55.37 2kcq s ASP 62 Cb -0.20 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2kcq s ASP 62 CO 0.55 -2.68 0.00 -0.67 -0.17 0.00 0.00 175.17 172.20 2kcq n ASP 63 N -3.93 0.00 -0.35 -0.34 2.03 -1.26 -4.47 116.55 108.22 2kcq n ASP 63 Ca 0.08 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.40 2kcq n ASP 63 Cb 0.54 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.10 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kcq h TYR 64 N 0.00 1.19 -0.28 -0.67 3.20 -1.93 0.14 116.97 118.63 2kcq h TYR 64 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2kcq h TYR 64 Cb 0.00 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 37.83 2kcq h TYR 64 CO 0.00 0.69 0.01 0.00 -1.64 0.00 0.00 178.16 177.22 2kcq h ARG 65 N 1.23 0.09 -0.23 1.82 3.08 -1.71 0.14 114.38 118.80 2kcq h ARG 65 Ca 0.39 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.35 2kcq h ARG 65 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2kcq h ARG 65 CO -0.12 0.06 -0.22 0.00 -1.07 0.00 0.00 179.97 178.62 2kcq h ALA 66 N 1.23 1.20 -0.44 0.04 0.00 -1.65 0.28 119.26 119.91 2kcq h ALA 66 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2kcq h ALA 66 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kcq h ALA 66 CO -0.22 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.67 2kcq h ALA 67 N 1.39 0.58 -0.33 0.00 0.00 -0.06 0.45 119.26 121.29 2kcq h ALA 67 Ca 0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2kcq h ALA 67 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kcq h ALA 67 CO 0.04 0.26 -0.15 0.22 0.00 0.00 0.00 179.25 179.62 2kcq h ASP 68 N 0.58 0.70 0.25 0.00 1.82 -0.35 0.45 116.42 119.87 2kcq h ASP 68 Ca 0.14 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 2kcq h ASP 68 Cb 0.31 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2kcq h ASP 68 CO 0.00 0.95 -0.12 0.00 -1.61 0.00 0.00 179.24 178.46 2kcq h ALA 69 N 0.78 -0.33 -0.16 -0.78 0.00 -0.84 -0.23 119.26 117.69 2kcq h ALA 69 Ca 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kcq h ALA 69 Cb 0.68 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2kcq h ALA 69 CO 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 179.25 178.50 2kcq h ALA 70 N 0.34 1.47 0.19 0.00 0.00 -0.91 -0.46 119.26 119.88 2kcq h ALA 70 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kcq h ALA 70 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kcq h ALA 70 CO 0.06 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.59 2kcq h ALA 71 N 1.61 -0.26 -0.08 0.00 0.00 -0.56 -1.69 119.26 118.29 2kcq h ALA 71 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2kcq h ALA 71 Cb 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kcq h ALA 71 CO 0.02 -0.58 -0.34 -0.56 0.00 0.00 0.00 179.25 177.80 2kcq h GLN 72 N -0.38 0.16 -0.62 0.00 3.07 -0.76 0.84 115.11 117.42 2kcq h GLN 72 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 2kcq h GLN 72 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 2kcq h GLN 72 CO 0.04 0.48 0.29 0.93 0.09 0.00 0.00 178.83 180.67 2kcq h GLU 73 N 0.14 0.88 0.00 0.06 5.08 -0.98 -2.69 114.58 117.07 2kcq h GLU 73 Ca 0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kcq h GLU 73 Cb 0.67 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kcq h GLU 73 CO 0.05 0.69 -0.67 1.04 -1.00 0.00 0.00 179.01 179.12 2kcq n GLN 74 N -4.35 0.06 -2.19 2.33 6.02 -0.65 -4.95 117.38 113.66 2kcq n GLN 74 Ca 0.06 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.03 2kcq n GLN 74 Cb 0.13 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 1.47 0.45 3.81 1.08 0.00 0.89 -5.06 105.19 107.82 2kcq n GLY 75 Ca 0.05 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.78 2.27 0.32 0.99 1.43 0.26 -4.94 118.68 118.23 2kcq s LEU 76 Ca 0.01 -1.63 0.06 0.00 -1.03 0.00 0.00 54.13 51.54 2kcq s LEU 76 Cb -0.01 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 2kcq s LEU 76 CO 0.02 -0.96 0.26 1.51 0.23 0.00 0.00 176.35 177.41 2kcq s ASP 77 N -3.97 1.52 -0.62 2.29 -4.77 0.22 -3.79 116.67 107.54 2kcq s ASP 77 Ca 0.06 -1.71 -0.22 0.00 -3.30 0.00 0.00 52.55 47.38 2kcq s ASP 77 Cb -0.00 0.53 0.07 0.00 -1.09 0.00 0.00 42.92 42.43 2kcq s ASP 77 CO 0.04 -1.03 0.88 -0.69 0.70 0.00 0.00 175.17 175.07 2kcq s VAL 78 N -3.53 4.47 -0.57 2.11 1.01 -1.26 -0.98 120.40 121.65 2kcq s VAL 78 Ca 0.40 -0.42 0.24 0.00 0.00 0.00 0.00 61.98 62.21 2kcq s VAL 78 Cb 0.03 -4.60 0.08 0.00 0.00 0.00 0.00 36.38 31.89 2kcq s VAL 78 CO 0.26 -1.30 1.33 -0.37 0.00 0.00 0.00 175.10 175.02 2kcq h VAL 79 N 5.96 0.00 -1.09 2.92 -1.51 -1.76 -3.49 116.25 117.28 2kcq h VAL 79 Ca -0.28 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 2kcq h VAL 79 Cb 1.08 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2kcq h VAL 79 CO 1.14 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.09 2kcq n GLY 80 N 1.30 0.55 3.13 5.19 0.00 -1.22 -1.95 105.19 112.19 2kcq n GLY 80 Ca 0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.10 0.64 -0.01 1.61 1.01 -0.02 -0.13 120.40 121.40 2kcq s VAL 81 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.43 2kcq s VAL 81 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2kcq s VAL 81 CO 0.00 -0.68 -0.18 -0.72 0.00 0.00 0.00 175.10 173.52 2kcq s TYR 82 N -2.76 1.57 -0.02 5.22 -0.85 -0.84 -0.51 117.35 119.16 2kcq s TYR 82 Ca 0.03 -0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 2kcq s TYR 82 Cb -0.01 -1.01 -0.00 0.00 0.38 0.00 0.00 41.96 41.32 2kcq s TYR 82 CO -0.03 -0.03 -0.14 -1.01 -1.52 0.00 0.00 175.55 172.83 2kcq s HIS 83 N -0.41 1.31 -0.14 -3.49 3.76 0.49 -3.68 115.29 113.12 2kcq s HIS 83 Ca 0.07 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 2kcq s HIS 83 Cb -0.07 -0.88 -0.00 0.00 1.11 0.00 0.00 32.58 32.74 2kcq s HIS 83 CO -0.01 -0.08 -0.17 -1.54 -0.85 0.00 0.00 174.74 172.09 2kcq s SER 84 N -0.08 3.59 0.10 1.40 1.04 -1.26 -0.03 113.70 118.46 2kcq s SER 84 Ca 0.00 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 2kcq s SER 84 Cb -0.08 -1.54 -0.07 0.00 0.10 0.00 0.00 66.02 64.43 2kcq s SER 84 CO 0.00 0.11 0.59 -1.00 0.98 0.00 0.00 173.24 173.92 2kcq s HIS 85 N 0.68 3.77 -2.33 5.02 3.76 -1.03 -4.96 115.29 120.19 2kcq s HIS 85 Ca -0.08 1.26 0.23 0.00 -0.15 0.00 0.00 55.06 56.32 2kcq s HIS 85 Cb -0.16 -2.50 0.14 0.00 1.11 0.00 0.00 32.58 31.17 2kcq s HIS 85 CO 0.02 0.54 1.19 -0.35 -0.85 0.00 0.00 174.74 175.29 2kcq n PRO 86 N 1.48 1.55 0.00 8.40 -0.04 -1.26 -3.61 135.00 141.52 2kcq n PRO 86 Ca -0.09 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2kcq n PRO 86 Cb 0.51 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.37 0.00 -4.93 3.54 -0.08 -1.26 -4.73 116.55 109.46 2kcq n ASP 87 Ca 0.11 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.14 2kcq n ASP 87 Cb 0.50 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.97 2kcq n ASP 87 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2kcq s HIS 88 N -0.81 3.36 0.00 -0.67 3.76 -1.26 -5.02 115.29 114.65 2kcq s HIS 88 Ca 0.00 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 2kcq s HIS 88 Cb 0.00 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2kcq s HIS 88 CO 0.00 -0.37 0.00 -2.30 -0.85 0.00 0.00 174.74 171.22 2kcq n PRO 89 N -2.20 -0.01 -0.39 8.40 -0.02 -1.26 -4.69 135.00 134.83 2kcq n PRO 89 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2kcq n PRO 89 Cb 0.57 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.16 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 -1.70 -1.14 3.55 0.00 -1.26 -4.81 120.51 112.14 2kcq n ALA 90 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2kcq n ALA 90 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2kcq n ALA 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kcq n ARG 91 N -3.15 -3.23 -1.95 0.00 0.63 -1.26 -4.90 116.66 102.80 2kcq n ARG 91 Ca 0.07 2.42 -0.41 0.00 -0.92 0.00 0.00 57.85 59.00 2kcq n ARG 91 Cb 0.26 -2.76 -0.02 0.00 0.45 0.00 0.00 32.46 30.40 2kcq n ARG 91 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kcq s PRO 92 N -4.48 4.23 0.71 -0.14 0.04 -1.26 -5.04 135.00 129.07 2kcq s PRO 92 Ca 0.00 2.38 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 2kcq s PRO 92 Cb 0.00 -3.08 0.16 0.00 0.04 0.00 0.00 34.50 31.63 2kcq s PRO 92 CO 0.00 -0.46 0.97 0.43 0.04 0.00 0.00 177.00 177.98 2kcq n SER 93 N 2.05 0.07 0.04 6.66 7.64 -1.26 -4.73 113.62 124.10 2kcq n SER 93 Ca 0.06 -1.35 -0.13 0.00 1.01 0.00 0.00 58.87 58.47 2kcq n SER 93 Cb 0.40 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.85 -0.05 0.06 -0.43 0.00 -1.99 0.14 119.26 115.13 2kcq h ALA 94 Ca -0.31 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 2kcq h ALA 94 Cb 0.86 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2kcq h ALA 94 CO 0.22 -0.46 -1.14 1.15 0.00 0.00 0.00 179.25 179.02 2kcq h THR 95 N -0.19 1.58 -0.89 0.00 2.02 -1.98 -2.01 112.91 111.44 2kcq h THR 95 Ca -0.01 -3.24 0.09 0.00 0.77 0.00 0.00 66.41 64.03 2kcq h THR 95 Cb 0.17 2.87 -0.07 0.00 -1.74 0.00 0.00 68.15 69.38 2kcq h THR 95 CO 0.01 0.93 0.54 -0.78 0.37 0.00 0.00 175.52 176.58 2kcq h ASP 96 N 0.03 0.80 -0.24 4.18 1.82 -1.90 -0.99 116.42 120.12 2kcq h ASP 96 Ca -0.08 0.04 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2kcq h ASP 96 Cb 1.87 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.75 2kcq h ASP 96 CO 0.16 0.46 -0.23 0.25 -1.61 0.00 0.00 179.24 178.28 2kcq h LEU 97 N 0.91 0.61 -1.31 2.28 6.46 -0.65 -3.28 115.31 120.33 2kcq h LEU 97 Ca 0.42 -0.47 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2kcq h LEU 97 Cb 0.34 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 2kcq h LEU 97 CO -0.23 0.95 0.48 -0.33 -0.62 0.00 0.00 178.44 178.70 2kcq h GLU 98 N 0.27 0.89 0.00 1.25 5.08 -0.56 -1.19 114.58 120.32 2kcq h GLU 98 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kcq h GLU 98 Cb 0.78 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kcq h GLU 98 CO 0.06 0.59 0.00 0.39 -1.00 0.00 0.00 179.01 179.05 2kcq n GLU 99 N -4.45 0.97 -2.13 2.33 1.02 -0.46 -4.39 120.64 113.53 2kcq n GLU 99 Ca 0.09 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 2kcq n GLU 99 Cb 0.10 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.75 3.88 0.97 0.62 0.00 -0.45 -4.56 120.51 120.22 2kcq n ALA 100 Ca 0.12 -3.70 0.11 0.00 0.00 0.00 0.00 53.44 49.96 2kcq n ALA 100 Cb 0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 15.91 2kcq n ALA 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kcq n THR 101 N 6.17 0.00 -3.93 0.00 5.66 -1.26 -4.68 114.28 116.25 2kcq n THR 101 Ca 0.49 -0.25 -0.29 0.00 -3.05 0.00 0.00 64.05 60.96 2kcq n THR 101 Cb 0.44 1.23 -0.13 0.00 -1.55 0.00 0.00 70.33 70.31 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2kcq s PHE 102 N -2.46 3.34 0.88 1.09 -0.71 -1.26 -5.10 117.98 113.76 2kcq s PHE 102 Ca 0.17 -3.24 -0.13 0.00 -1.04 0.00 0.00 56.93 52.68 2kcq s PHE 102 Cb 0.17 -2.76 0.13 0.00 -1.21 0.00 0.00 43.02 39.35 2kcq s PHE 102 CO 0.58 -0.66 1.20 -2.14 -1.34 0.00 0.00 175.22 172.86 2kcq s PRO 103 N -0.80 1.36 0.00 1.99 0.02 -1.26 -4.58 135.00 131.73 2kcq s PRO 103 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 61.00 61.26 2kcq s PRO 103 Cb -0.17 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2kcq s PRO 103 CO -0.07 -2.00 0.00 0.41 -0.33 0.00 0.00 177.00 175.01 2kcq n GLY 104 N -3.06 1.01 3.47 0.52 0.00 -1.26 -5.09 105.19 100.77 2kcq n GLY 104 Ca 0.09 0.00 -0.23 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 -2.00 2.17 -0.31 1.61 0.08 -1.26 -4.95 117.98 113.31 2kcq s PHE 105 Ca 0.00 -0.51 -0.19 0.00 0.12 0.00 0.00 56.93 56.35 2kcq s PHE 105 Cb 0.00 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2kcq s PHE 105 CO 0.00 0.52 0.56 0.99 -0.10 0.00 0.00 175.22 177.18 2kcq s THR 106 N -2.73 5.00 -0.43 0.64 2.01 -0.82 -4.39 115.64 114.91 2kcq s THR 106 Ca 0.30 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 2kcq s THR 106 Cb 0.00 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kcq s THR 106 CO 0.14 -0.12 0.36 -0.31 -0.69 0.00 0.00 174.62 173.99 2kcq s TYR 107 N 2.46 3.22 -0.34 4.92 1.51 0.63 -0.84 117.35 128.91 2kcq s TYR 107 Ca 0.22 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.47 2kcq s TYR 107 Cb -0.15 -2.83 -0.01 0.00 -0.11 0.00 0.00 41.96 38.86 2kcq s TYR 107 CO 0.12 -0.68 0.36 0.08 -1.11 0.00 0.00 175.55 174.32 2kcq s VAL 108 N 1.77 5.17 -0.25 0.71 1.01 0.33 0.25 120.40 129.39 2kcq s VAL 108 Ca 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2kcq s VAL 108 Cb -0.20 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2kcq s VAL 108 CO 0.10 -0.09 0.01 -0.63 0.00 0.00 0.00 175.10 174.48 2kcq s ILE 109 N 2.02 3.68 -0.09 2.22 1.01 0.91 -0.38 121.20 130.57 2kcq s ILE 109 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2kcq s ILE 109 Cb -0.17 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2kcq s ILE 109 CO 0.12 0.30 -0.02 0.54 0.00 0.00 0.00 174.94 175.87 2kcq s VAL 110 N 1.50 4.11 -0.44 2.92 0.11 0.95 -1.55 120.40 128.00 2kcq s VAL 110 Ca 0.05 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 2kcq s VAL 110 Cb -0.15 -2.72 0.03 0.00 -1.53 0.00 0.00 36.38 32.00 2kcq s VAL 110 CO -0.00 0.59 0.59 -0.55 -3.33 0.00 0.00 175.10 172.40 2kcq s SER 111 N -0.68 6.29 -0.17 3.54 0.15 -0.03 -2.48 113.70 120.32 2kcq s SER 111 Ca 0.11 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2kcq s SER 111 Cb -0.12 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2kcq s SER 111 CO 0.02 -0.74 -0.08 -0.69 1.20 0.00 0.00 173.24 172.94 2kcq s VAL 112 N 2.65 1.34 -0.36 4.45 1.01 -1.24 0.96 120.40 129.21 2kcq s VAL 112 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kcq s VAL 112 Cb -0.15 -1.42 0.09 0.00 0.00 0.00 0.00 36.38 34.89 2kcq s VAL 112 CO 0.17 0.22 0.11 -0.13 0.00 0.00 0.00 175.10 175.48 2kcq s ARG 113 N 1.54 2.09 -1.19 2.72 0.52 0.10 -4.44 118.95 120.29 2kcq s ARG 113 Ca 0.01 -1.63 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 2kcq s ARG 113 Cb -0.15 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2kcq s ARG 113 CO -0.08 -0.90 0.73 -3.47 0.02 0.00 0.00 175.30 171.60 2kcq n ASP 114 N 4.56 -4.28 0.00 0.23 2.03 -1.26 -1.63 116.55 116.20 2kcq n ASP 114 Ca -0.05 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.24 2kcq n ASP 114 Cb 0.42 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.51 2kcq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 115 N -1.74 1.82 3.32 0.27 0.00 -1.26 -4.99 105.19 102.61 2kcq n GLY 115 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.05 3.21 -0.06 4.61 0.00 -0.65 -4.75 121.76 121.07 2kcq s ALA 116 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 2kcq s ALA 116 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 2kcq s ALA 116 CO 0.00 -1.43 1.57 -2.14 0.00 0.00 0.00 175.76 173.76 2kcq s PRO 117 N 1.48 4.20 -0.01 0.00 0.02 -1.26 0.01 135.00 139.44 2kcq s PRO 117 Ca 0.01 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 2kcq s PRO 117 Cb -0.20 -3.90 -0.00 0.00 0.02 0.00 0.00 34.50 30.42 2kcq s PRO 117 CO 0.05 -0.80 -0.01 -1.91 -0.33 0.00 0.00 177.00 174.00 2kcq n GLU 118 N 6.84 0.02 -3.74 5.54 2.13 0.27 -4.96 120.64 126.74 2kcq n GLU 118 Ca 0.16 0.15 -0.12 0.00 0.66 0.00 0.00 57.16 58.02 2kcq n GLU 118 Cb 0.43 -0.69 -0.07 0.00 0.27 0.00 0.00 31.44 31.38 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 -2.99 -0.73 -0.07 4.31 0.00 -1.21 -4.99 121.76 116.08 2kcq s ALA 119 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2kcq s ALA 119 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2kcq s ALA 119 CO 0.02 -0.44 0.04 -0.51 0.00 0.00 0.00 175.76 174.87 2kcq s LEU 120 N -2.13 3.78 -0.03 0.00 1.43 -1.26 -0.85 118.68 119.62 2kcq s LEU 120 Ca -0.04 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2kcq s LEU 120 Cb -0.00 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2kcq s LEU 120 CO -0.04 0.36 0.06 0.42 0.23 0.00 0.00 176.35 177.37 2kcq s THR 121 N -0.99 -0.05 -0.11 5.49 -4.23 -0.60 -5.02 115.64 110.13 2kcq s THR 121 Ca 0.16 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 2kcq s THR 121 Cb -0.12 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 2kcq s THR 121 CO 0.05 0.08 -0.06 0.00 -0.54 0.00 0.00 174.62 174.16 2kcq s ALA 122 N 1.05 2.96 0.03 3.99 0.00 -1.25 -0.06 121.76 128.47 2kcq s ALA 122 Ca -0.09 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2kcq s ALA 122 Cb -0.12 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 2kcq s ALA 122 CO -0.04 0.40 -0.10 -1.58 0.00 0.00 0.00 175.76 174.45 2kcq s TRP 123 N -0.24 0.85 -0.15 0.00 0.52 0.14 -0.83 118.94 119.23 2kcq s TRP 123 Ca 0.03 -0.32 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 2kcq s TRP 123 Cb -0.13 -0.51 -0.02 0.00 -1.15 0.00 0.00 33.47 31.66 2kcq s TRP 123 CO 0.03 -0.02 -0.09 0.00 0.02 0.00 0.00 176.95 176.89 2kcq s ALA 124 N -0.80 2.74 0.21 0.98 0.00 0.15 -0.27 121.76 124.78 2kcq s ALA 124 Ca -0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 2kcq s ALA 124 Cb -0.07 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 2kcq s ALA 124 CO 0.01 0.11 0.87 -1.17 0.00 0.00 0.00 175.76 175.58 2kcq s LEU 125 N 0.58 4.61 0.38 0.00 2.96 -1.26 -0.20 118.68 125.74 2kcq s LEU 125 Ca -0.06 1.82 -0.27 0.00 -0.22 0.00 0.00 54.13 55.40 2kcq s LEU 125 Cb -0.15 -3.51 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 2kcq s LEU 125 CO 0.03 0.17 1.33 0.00 -1.32 0.00 0.00 176.35 176.55 2kcq s ALA 126 N -1.19 3.37 0.60 5.97 0.00 -0.79 -4.73 121.76 124.99 2kcq s ALA 126 Ca 0.39 1.28 0.29 0.00 0.00 0.00 0.00 51.96 53.93 2kcq s ALA 126 Cb -0.24 -3.50 1.63 0.00 0.00 0.00 0.00 23.12 21.01 2kcq s ALA 126 CO 0.29 -0.79 2.03 -1.35 0.00 0.00 0.00 175.76 175.94 2kcq h PRO 127 N 2.94 0.00 -0.48 0.00 0.11 -1.96 0.27 132.00 132.88 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kcq h PRO 127 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2kcq n ASP 128 N -3.64 3.73 -4.24 -2.05 5.75 -1.26 -4.93 116.55 109.91 2kcq n ASP 128 Ca 0.03 -2.27 -0.34 0.00 -0.01 0.00 0.00 54.79 52.20 2kcq n ASP 128 Cb 0.42 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2kcq n ASP 128 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kcq n ARG 129 N 0.72 -2.26 0.12 0.11 1.85 0.95 -4.85 116.66 113.29 2kcq n ARG 129 Ca 0.19 0.28 0.02 0.00 -1.00 0.00 0.00 57.85 57.33 2kcq n ARG 129 Cb 0.65 -4.57 -0.00 0.00 -1.05 0.00 0.00 32.46 27.49 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 -1.52 0.00 -5.58 2.89 0.02 -1.94 -3.49 113.55 103.93 2kcq h SER 130 Ca -0.62 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 60.57 2kcq h SER 130 Cb 1.39 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.87 2kcq h SER 130 CO 0.75 0.54 0.70 -1.83 -1.14 0.00 0.00 176.83 175.86 2kcq s GLU 131 N -2.94 0.91 0.15 3.45 -1.05 -1.26 -5.08 118.70 112.88 2kcq s GLU 131 Ca 0.03 -0.57 0.07 0.00 -0.15 0.00 0.00 54.97 54.35 2kcq s GLU 131 Cb 0.08 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 2kcq s GLU 131 CO 0.76 -0.42 -0.02 -0.06 0.95 0.00 0.00 175.26 176.47 2kcq s PHE 132 N -2.26 2.84 -0.07 4.83 0.40 -1.26 -1.88 117.98 120.58 2kcq s PHE 132 Ca 0.22 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 2kcq s PHE 132 Cb -0.01 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.12 2kcq s PHE 132 CO 0.02 0.50 -0.20 -1.01 0.70 0.00 0.00 175.22 175.23 2kcq s HIS 133 N -1.60 2.08 0.29 0.36 3.76 0.72 -4.95 115.29 115.95 2kcq s HIS 133 Ca 0.26 -0.72 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 2kcq s HIS 133 Cb -0.10 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 2kcq s HIS 133 CO 0.18 -0.27 0.95 0.50 -0.85 0.00 0.00 174.74 175.25 2kcq s ARG 134 N 0.19 4.69 0.06 1.40 3.52 -1.26 0.34 118.95 127.89 2kcq s ARG 134 Ca -0.10 1.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.95 2kcq s ARG 134 Cb -0.15 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2kcq s ARG 134 CO 0.05 0.37 -0.10 -2.00 -0.81 0.00 0.00 175.30 172.81 2kcq s GLU 135 N -1.66 0.65 0.29 5.12 2.12 -0.01 -4.88 118.70 120.34 2kcq s GLU 135 Ca 0.46 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 55.00 2kcq s GLU 135 Cb -0.22 -0.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.64 2kcq s GLU 135 CO 0.28 0.10 0.31 0.34 -0.54 0.00 0.00 175.26 175.75 2kcq s ASP 136 N -1.71 5.69 -0.27 -1.70 -1.08 -1.26 -3.96 116.67 112.39 2kcq s ASP 136 Ca -0.06 -0.25 -0.24 0.00 -0.52 0.00 0.00 52.55 51.48 2kcq s ASP 136 Cb -0.09 -1.32 -0.00 0.00 -1.46 0.00 0.00 42.92 40.04 2kcq s ASP 136 CO 0.01 -0.22 0.80 -0.63 0.52 0.00 0.00 175.17 175.66 2kcq s ILE 137 N -2.17 4.83 0.02 4.11 1.09 -1.26 -4.28 121.20 123.54 2kcq s ILE 137 Ca 0.38 1.41 0.03 0.00 -1.10 0.00 0.00 60.65 61.37 2kcq s ILE 137 Cb -0.08 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 2kcq s ILE 137 CO 0.27 -0.13 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.27 2kcq s VAL 138 N 2.87 3.94 0.37 2.92 1.01 -0.40 -4.98 120.40 126.14 2kcq s VAL 138 Ca 0.34 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2kcq s VAL 138 Cb -0.15 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2kcq s VAL 138 CO 0.09 0.34 1.07 -0.13 0.00 0.00 0.00 175.10 176.47 2kcq s ARG 139 N -1.63 4.25 0.34 2.72 0.52 -1.26 -2.12 118.95 121.76 2kcq s ARG 139 Ca 0.20 1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 56.72 2kcq s ARG 139 Cb -0.11 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.56 2kcq s ARG 139 CO 0.11 -0.09 1.51 -2.14 0.02 0.00 0.00 175.30 174.71 2kcq s PRO 140 N -2.25 4.14 -0.71 3.54 0.02 -1.26 -4.82 135.00 133.66 2kcq s PRO 140 Ca 0.55 2.53 -0.20 0.00 0.02 0.00 0.00 61.00 63.90 2kcq s PRO 140 Cb -0.25 -3.00 0.10 0.00 0.02 0.00 0.00 34.50 31.37 2kcq s PRO 140 CO 0.31 -0.53 0.91 -0.51 -0.33 0.00 0.00 177.00 176.85 2kcq s ASP 141 N 0.09 6.31 -0.45 2.53 1.11 -1.26 -4.90 116.67 120.10 2kcq s ASP 141 Ca 0.57 -1.47 0.04 0.00 0.18 0.00 0.00 52.55 51.86 2kcq s ASP 141 Cb -0.46 -2.37 0.66 0.00 1.07 0.00 0.00 42.92 41.82 2kcq s ASP 141 CO 0.56 -1.21 1.92 -0.81 1.18 0.00 0.00 175.17 176.81 2kcq n PRO 142 N 6.81 2.25 0.00 8.23 -0.04 -1.26 -4.09 135.00 146.91 2kcq n PRO 142 Ca 0.02 -3.00 0.02 0.00 -0.04 0.00 0.00 63.50 60.51 2kcq n PRO 142 Cb 0.45 -2.17 -0.01 0.00 -0.04 0.00 0.00 33.50 31.73 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcq n GLU 143 N -1.13 3.35 -3.15 0.54 1.02 -1.26 -4.98 120.64 115.03 2kcq n GLU 143 Ca 0.60 -0.30 -0.36 0.00 -0.02 0.00 0.00 57.16 57.07 2kcq n GLU 143 Cb 1.64 -0.86 -0.06 0.00 -0.02 0.00 0.00 31.44 32.14 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 144 N -1.08 3.45 0.17 0.62 0.00 -1.26 -5.01 121.76 118.65 2kcq s ALA 144 Ca 0.03 0.11 -0.33 0.00 0.00 0.00 0.00 51.96 51.78 2kcq s ALA 144 Cb 0.04 -2.77 -0.15 0.00 0.00 0.00 0.00 23.12 20.24 2kcq s ALA 144 CO 0.15 0.35 1.35 -0.35 0.00 0.00 0.00 175.76 177.26 2kcq n PRO 145 N 0.80 1.62 -1.54 0.00 -0.04 -1.26 -4.96 135.00 129.62 2kcq n PRO 145 Ca -0.03 0.58 -0.30 0.00 -0.04 0.00 0.00 63.50 63.71 2kcq n PRO 145 Cb 0.51 -2.21 0.22 0.00 -0.04 0.00 0.00 33.50 31.99 2kcq n PRO 145 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kcq s LEU 146 N 0.50 1.75 0.75 1.53 1.43 -1.26 -5.00 118.68 118.37 2kcq s LEU 146 Ca 0.75 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.06 2kcq s LEU 146 Cb -0.78 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 43.31 2kcq s LEU 146 CO 0.48 -3.50 1.21 -0.70 0.23 0.00 0.00 176.35 174.06 2kcq s GLU 147 N -5.73 2.02 0.00 1.70 -6.30 -1.26 -4.88 118.70 104.25 2kcq s GLU 147 Ca 0.74 1.76 0.22 0.00 -2.50 0.00 0.00 54.97 55.18 2kcq s GLU 147 Cb -0.05 -1.82 1.10 0.00 0.00 0.00 0.00 34.13 33.36 2kcq s GLU 147 CO 0.55 -1.93 1.69 1.58 0.02 0.00 0.00 175.26 177.17 2kcq n HIS 148 N -2.86 0.00 -1.68 5.30 -0.00 -1.26 -4.93 115.22 109.79 2kcq n HIS 148 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.85 2kcq n HIS 148 Cb 0.50 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.99 30.22 2kcq n HIS 148 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcq n HIS 149 N -1.27 -0.70 -2.54 1.57 8.25 -1.26 -4.90 115.22 114.37 2kcq n HIS 149 Ca 0.11 0.39 -0.40 0.00 -0.26 0.00 0.00 57.72 57.55 2kcq n HIS 149 Cb 0.17 -1.89 -0.03 0.00 1.12 0.00 0.00 29.99 29.36 2kcq n HIS 149 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcq s HIS 150 N -0.13 2.51 -0.25 4.41 3.76 -1.26 -4.87 115.29 119.45 2kcq s HIS 150 Ca -0.04 -0.80 -0.06 0.00 -0.15 0.00 0.00 55.06 54.02 2kcq s HIS 150 Cb 0.00 -4.68 0.13 0.00 1.11 0.00 0.00 32.58 29.14 2kcq s HIS 150 CO 0.13 -1.93 0.50 -1.58 -0.85 0.00 0.00 174.74 171.01 2kcq s HIS 151 N 5.16 -1.10 -0.29 1.40 5.04 -1.26 -5.12 115.29 119.12 2kcq s HIS 151 Ca 0.47 1.63 -0.29 0.00 -1.54 0.00 0.00 55.06 55.33 2kcq s HIS 151 Cb -0.00 0.42 0.00 0.00 0.04 0.00 0.00 32.58 33.05 2kcq s HIS 151 CO -0.09 -0.65 1.22 -3.38 -2.34 0.00 0.00 174.74 169.50 2kcq s HIS 152 N 2.72 2.85 0.00 3.88 -3.43 -1.26 -5.26 115.29 114.80 2kcq s HIS 152 Ca 0.04 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 2kcq s HIS 152 Cb -0.13 -3.79 0.00 0.00 -1.43 0.00 0.00 32.58 27.23 2kcq s HIS 152 CO -0.17 -1.41 0.00 0.72 -2.00 0.00 0.00 174.74 171.89