#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 3.53 0.32 2.12 3.01 -0.04 -2.96 119.74 125.72 2kcq s LYS 2 Ca 0.00 -0.57 -0.18 0.00 -1.01 0.00 0.00 55.97 54.21 2kcq s LYS 2 Cb 0.00 -2.99 0.03 0.00 -1.01 0.00 0.00 37.83 33.86 2kcq s LYS 2 CO 0.00 -0.00 0.74 -0.08 0.51 0.00 0.00 175.35 176.51 2kcq s THR 3 N 1.00 0.00 0.20 2.17 -1.32 0.23 -2.58 115.64 115.35 2kcq s THR 3 Ca 0.01 -1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 59.45 2kcq s THR 3 Cb -0.15 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 2kcq s THR 3 CO 0.01 0.00 0.41 0.42 -2.21 0.00 0.00 174.62 173.25 2kcq s THR 4 N -3.25 5.18 0.57 5.08 -4.23 -1.26 -3.47 115.64 114.26 2kcq s THR 4 Ca 0.14 -0.25 0.27 0.00 -1.18 0.00 0.00 61.69 60.66 2kcq s THR 4 Cb -0.05 -3.72 0.34 0.00 1.34 0.00 0.00 72.50 70.41 2kcq s THR 4 CO 0.09 -0.16 2.16 1.55 -0.54 0.00 0.00 174.62 177.72 2kcq h PRO 5 N 2.08 0.00 -0.12 3.99 0.13 -1.97 -1.83 132.00 134.29 2kcq h PRO 5 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kcq h PRO 5 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kcq h PRO 5 CO 0.68 0.00 0.07 0.22 -0.23 0.00 0.00 178.00 178.74 2kcq h ASP 6 N 0.00 0.11 -0.63 1.44 3.58 -2.00 -0.84 116.42 118.08 2kcq h ASP 6 Ca 0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2kcq h ASP 6 Cb 0.26 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2kcq h ASP 6 CO -0.00 0.08 0.33 0.40 -2.88 0.00 0.00 179.24 177.17 2kcq h ILE 7 N 0.14 1.21 -0.93 2.25 1.08 -1.75 -2.33 117.51 117.18 2kcq h ILE 7 Ca 0.05 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 2kcq h ILE 7 Cb -0.00 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 34.09 2kcq h ILE 7 CO -0.02 0.23 0.58 -0.07 -0.69 0.00 0.00 178.15 178.18 2kcq h LEU 8 N 0.86 0.90 -0.35 1.44 3.38 -1.01 0.14 115.31 120.67 2kcq h LEU 8 Ca 0.22 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2kcq h LEU 8 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2kcq h LEU 8 CO -0.03 0.54 -0.03 -0.78 0.09 0.00 0.00 178.44 178.23 2kcq h ASP 9 N 1.02 0.63 0.11 -0.43 1.82 -0.90 -2.86 116.42 115.81 2kcq h ASP 9 Ca 0.42 -0.33 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 2kcq h ASP 9 Cb 0.27 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2kcq h ASP 9 CO -0.21 0.81 -0.15 1.56 -1.61 0.00 0.00 179.24 179.64 2kcq h GLN 10 N 0.44 0.11 -0.83 0.28 4.20 -0.74 -1.97 115.11 116.59 2kcq h GLN 10 Ca 0.09 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2kcq h GLN 10 Cb 0.51 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2kcq h GLN 10 CO 0.02 0.27 0.45 0.82 -0.67 0.00 0.00 178.83 179.72 2kcq h ILE 11 N 0.10 1.24 -0.64 2.54 2.04 -0.55 -1.84 117.51 120.41 2kcq h ILE 11 Ca 0.02 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2kcq h ILE 11 Cb 0.34 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2kcq h ILE 11 CO 0.02 0.27 0.05 0.03 0.00 0.00 0.00 178.15 178.53 2kcq h ARG 12 N 1.16 1.08 -0.92 2.37 3.08 -1.27 -2.72 114.38 117.15 2kcq h ARG 12 Ca 0.29 -0.31 0.09 0.00 0.07 0.00 0.00 59.98 60.11 2kcq h ARG 12 Cb 0.04 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 2kcq h ARG 12 CO -0.05 1.02 0.59 0.28 -1.07 0.00 0.00 179.97 180.75 2kcq h VAL 13 N 1.00 1.00 -0.52 2.04 2.07 -0.89 0.81 116.25 121.76 2kcq h VAL 13 Ca 0.19 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2kcq h VAL 13 Cb 0.50 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2kcq h VAL 13 CO 0.02 0.18 0.36 -0.74 0.02 0.00 0.00 177.57 177.40 2kcq h HIS 14 N 0.97 0.22 0.02 1.57 -0.00 -1.02 0.16 115.15 117.07 2kcq h HIS 14 Ca 0.42 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.79 2kcq h HIS 14 Cb 0.34 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 2kcq h HIS 14 CO -0.00 0.10 -0.01 0.78 -0.00 0.00 0.00 177.93 178.80 2kcq h GLY 15 N 0.21 -0.02 0.94 5.26 0.00 -0.86 0.59 103.07 109.18 2kcq h GLY 15 Ca 0.24 0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.39 2kcq h GLY 15 CO -0.04 -0.01 -0.71 0.00 0.00 0.00 0.00 176.54 175.78 2kcq h ALA 16 N 0.89 0.13 -0.63 3.60 0.00 -1.40 -3.10 119.26 118.75 2kcq h ALA 16 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2kcq h ALA 16 Cb 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2kcq h ALA 16 CO 0.00 0.47 0.12 0.22 0.00 0.00 0.00 179.25 180.06 2kcq h ASP 17 N 0.11 0.96 0.67 0.00 1.82 -0.64 -3.12 116.42 116.23 2kcq h ASP 17 Ca -0.08 -0.21 -0.27 0.00 -0.39 0.00 0.00 57.03 56.08 2kcq h ASP 17 Cb 1.39 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2kcq h ASP 17 CO 0.14 0.95 -1.32 0.00 -1.61 0.00 0.00 179.24 177.40 2kcq h ALA 18 N 1.17 0.32 -2.21 -0.78 0.00 -1.00 -3.47 119.26 113.28 2kcq h ALA 18 Ca 0.20 -1.04 -0.59 0.00 0.00 0.00 0.00 54.91 53.47 2kcq h ALA 18 Cb 0.39 0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.39 2kcq h ALA 18 CO 0.01 1.19 0.33 0.66 0.00 0.00 0.00 179.25 181.44 2kcq n TYR 19 N -3.39 1.75 1.33 0.00 4.02 -1.17 -1.14 117.16 118.57 2kcq n TYR 19 Ca -0.09 0.62 0.13 0.00 -0.01 0.00 0.00 57.90 58.55 2kcq n TYR 19 Cb 1.01 -2.34 0.42 0.00 -0.02 0.00 0.00 39.34 38.41 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 0.85 1.21 -1.96 -0.72 -0.04 -1.26 -5.03 135.00 128.06 2kcq n PRO 20 Ca 0.08 -0.73 -0.29 0.00 -0.04 0.00 0.00 63.50 62.52 2kcq n PRO 20 Cb 0.33 -1.48 0.16 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.29 0.93 1.31 0.54 0.41 -0.30 -4.91 118.70 114.40 2kcq s GLU 21 Ca 0.30 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 2kcq s GLU 21 Cb 0.20 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.66 2kcq s GLU 21 CO 0.44 -2.22 0.00 -0.85 -0.49 0.00 0.00 175.26 172.14 2kcq n GLU 22 N -3.64 0.00 0.00 1.61 0.28 -1.26 -4.82 120.64 112.80 2kcq n GLU 22 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2kcq n GLU 22 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kcq n GLY 23 N 0.00 3.78 3.77 -1.84 0.00 -1.26 -5.01 105.19 104.63 2kcq n GLY 23 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.24 -0.72 3.66 0.00 0.00 -1.05 -2.22 105.19 103.63 2kcq n GLY 25 Ca -0.02 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 2.93 -0.23 1.61 0.08 -0.77 -0.42 117.98 119.18 2kcq s PHE 26 Ca 0.00 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 2kcq s PHE 26 Cb 0.00 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 2kcq s PHE 26 CO 0.00 0.47 0.20 -0.51 -0.10 0.00 0.00 175.22 175.28 2kcq s LEU 27 N -2.27 4.12 -0.15 -0.37 1.43 0.81 -1.40 118.68 120.85 2kcq s LEU 27 Ca 0.25 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2kcq s LEU 27 Cb -0.12 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2kcq s LEU 27 CO 0.17 0.04 0.04 -0.76 0.23 0.00 0.00 176.35 176.07 2kcq s LEU 28 N 1.11 3.75 0.00 1.79 1.43 0.47 -1.49 118.68 125.74 2kcq s LEU 28 Ca 0.10 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2kcq s LEU 28 Cb -0.14 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2kcq s LEU 28 CO 0.05 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2kcq n GLY 29 N 3.08 0.92 3.17 -3.19 0.00 0.33 -0.82 105.19 108.68 2kcq n GLY 29 Ca -0.17 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.24 0.65 -0.53 2.61 -4.23 -0.21 0.11 115.64 112.79 2kcq s THR 30 Ca 0.00 -1.93 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 2kcq s THR 30 Cb 0.00 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.18 2kcq s THR 30 CO 0.00 -0.85 0.85 -0.69 -0.54 0.00 0.00 174.62 173.38 2kcq s VAL 31 N -3.66 4.54 -0.16 2.29 1.01 -1.26 0.50 120.40 123.66 2kcq s VAL 31 Ca 0.12 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2kcq s VAL 31 Cb 0.06 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2kcq s VAL 31 CO -0.05 -0.99 1.15 0.28 0.00 0.00 0.00 175.10 175.50 2kcq s THR 32 N 3.55 4.46 0.00 3.92 -1.32 0.19 -3.17 115.64 123.27 2kcq s THR 32 Ca 0.27 1.76 0.00 0.00 -1.21 0.00 0.00 61.69 62.51 2kcq s THR 32 Cb -0.14 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 2kcq s THR 32 CO 0.18 -0.11 0.00 -0.67 -2.21 0.00 0.00 174.62 171.81 2kcq n ASP 33 N 6.08 0.00 -0.49 8.08 2.03 -1.26 -0.83 116.55 130.15 2kcq n ASP 33 Ca 0.12 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.37 2kcq n ASP 33 Cb 0.46 -2.00 -0.03 0.00 -0.72 0.00 0.00 41.12 38.83 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 -3.82 -0.04 1.67 2.03 -1.19 -4.90 116.55 110.30 2kcq n ASP 34 Ca 0.00 0.16 0.01 0.00 0.52 0.00 0.00 54.79 55.48 2kcq n ASP 34 Cb 0.00 -1.88 -0.12 0.00 -0.72 0.00 0.00 41.12 38.39 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 -2.15 -0.74 3.72 0.27 0.00 -0.01 -5.07 105.19 101.22 2kcq n GLY 35 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.35 -0.11 -0.08 1.61 -1.08 -1.17 -5.03 116.67 106.46 2kcq s ASP 36 Ca -0.07 -0.33 -0.21 0.00 -0.52 0.00 0.00 52.55 51.42 2kcq s ASP 36 Cb 0.08 0.37 -0.04 0.00 -1.46 0.00 0.00 42.92 41.86 2kcq s ASP 36 CO 0.65 -0.68 0.61 0.20 0.52 0.00 0.00 175.17 176.46 2kcq s ASN 37 N -3.02 6.87 -0.39 -0.34 0.01 -1.26 -0.64 114.94 116.17 2kcq s ASN 37 Ca 0.14 1.04 -0.08 0.00 -0.71 0.00 0.00 52.86 53.25 2kcq s ASN 37 Cb 0.01 -2.36 0.07 0.00 0.41 0.00 0.00 41.25 39.37 2kcq s ASN 37 CO 0.00 -0.06 0.21 -0.60 -1.51 0.00 0.00 177.10 175.15 2kcq s ARG 38 N 0.67 2.59 -0.32 -0.60 3.52 0.18 -0.86 118.95 124.13 2kcq s ARG 38 Ca 0.33 -1.37 -0.17 0.00 -0.13 0.00 0.00 55.73 54.38 2kcq s ARG 38 Cb -0.17 -3.68 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2kcq s ARG 38 CO 0.15 -0.86 0.46 0.08 -0.81 0.00 0.00 175.30 174.32 2kcq s VAL 39 N 1.41 5.08 -0.00 7.11 1.01 -1.07 -1.05 120.40 132.89 2kcq s VAL 39 Ca 0.02 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2kcq s VAL 39 Cb -0.22 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2kcq s VAL 39 CO 0.02 -0.08 0.06 0.00 0.00 0.00 0.00 175.10 175.10 2kcq n ALA 40 N 5.57 2.10 -2.69 5.51 0.00 -0.80 -4.68 120.51 125.53 2kcq n ALA 40 Ca -0.06 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 2kcq n ALA 40 Cb 0.49 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.20 0.83 -0.12 0.00 0.00 0.00 -5.04 121.76 115.23 2kcq s ALA 41 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2kcq s ALA 41 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2kcq s ALA 41 CO 0.12 0.17 -0.01 -0.51 0.00 0.00 0.00 175.76 175.53 2kcq s LEU 42 N -0.55 3.44 -0.18 0.00 1.43 -1.26 -0.40 118.68 121.17 2kcq s LEU 42 Ca 0.02 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2kcq s LEU 42 Cb -0.05 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2kcq s LEU 42 CO 0.00 0.27 -0.18 -2.28 0.23 0.00 0.00 176.35 174.39 2kcq s HIS 43 N -0.23 2.79 0.08 0.29 5.65 -0.50 -4.93 115.29 118.45 2kcq s HIS 43 Ca 0.05 -1.53 -0.27 0.00 0.25 0.00 0.00 55.06 53.56 2kcq s HIS 43 Cb -0.13 -1.93 -0.06 0.00 -1.18 0.00 0.00 32.58 29.29 2kcq s HIS 43 CO 0.02 -0.75 0.85 1.03 -0.65 0.00 0.00 174.74 175.24 2kcq s ARG 44 N 1.25 4.59 -0.49 2.88 0.52 -1.26 -1.85 118.95 124.59 2kcq s ARG 44 Ca 0.04 1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 56.22 2kcq s ARG 44 Cb -0.13 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 2kcq s ARG 44 CO -0.11 0.28 2.36 0.00 0.02 0.00 0.00 175.30 177.85 2kcq s ALA 45 N -0.12 1.70 -0.25 2.13 0.00 -0.94 -4.87 121.76 119.42 2kcq s ALA 45 Ca 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2kcq s ALA 45 Cb -0.22 -4.34 0.11 0.00 0.00 0.00 0.00 23.12 18.67 2kcq s ALA 45 CO 0.26 -4.38 0.24 0.99 0.00 0.00 0.00 175.76 172.87 2kcq s THR 46 N 11.86 -0.32 0.08 0.00 2.01 -1.26 -4.74 115.64 123.27 2kcq s THR 46 Ca 0.95 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.39 2kcq s THR 46 Cb -0.17 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2kcq s THR 46 CO 0.26 -0.37 0.70 0.54 -0.69 0.00 0.00 174.62 175.06 2kcq s ASN 47 N 2.31 7.19 -0.21 3.53 4.22 -1.26 -4.90 114.94 125.82 2kcq s ASN 47 Ca 0.08 1.42 -0.01 0.00 -2.14 0.00 0.00 52.86 52.21 2kcq s ASN 47 Cb -0.15 -2.44 0.06 0.00 1.28 0.00 0.00 41.25 40.00 2kcq s ASN 47 CO -0.23 0.14 -0.02 -0.60 -2.04 0.00 0.00 177.10 174.35 2kcq s ARG 48 N -0.62 1.27 -0.37 3.55 3.52 -1.26 -5.10 118.95 119.95 2kcq s ARG 48 Ca 0.34 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.91 2kcq s ARG 48 Cb -0.21 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 2kcq s ARG 48 CO 0.22 -0.60 1.30 -0.98 -0.81 0.00 0.00 175.30 174.44 2kcq s ARG 49 N 1.58 3.77 -0.75 5.12 1.04 -1.26 -4.93 118.95 123.52 2kcq s ARG 49 Ca -0.04 1.03 -0.02 0.00 -1.04 0.00 0.00 55.73 55.66 2kcq s ARG 49 Cb -0.18 -3.93 0.19 0.00 -2.04 0.00 0.00 34.95 28.99 2kcq s ARG 49 CO -0.07 -1.31 0.60 -1.12 -0.04 0.00 0.00 175.30 173.36 2kcq s SER 50 N 3.09 5.56 -0.58 -2.89 0.01 -1.26 -5.05 113.70 112.58 2kcq s SER 50 Ca 0.56 -3.29 -0.33 0.00 1.31 0.00 0.00 55.95 54.20 2kcq s SER 50 Cb -0.14 -1.87 -0.15 0.00 0.21 0.00 0.00 66.02 64.07 2kcq s SER 50 CO 0.27 -0.27 2.37 -0.62 0.41 0.00 0.00 173.24 175.40 2kcq n GLU 51 N 2.90 0.61 -2.62 12.44 4.71 -1.26 -4.73 120.64 132.69 2kcq n GLU 51 Ca 0.15 0.11 -0.38 0.00 -0.01 0.00 0.00 57.16 57.02 2kcq n GLU 51 Cb 0.37 -2.24 -0.05 0.00 -1.01 0.00 0.00 31.44 28.51 2kcq n GLU 51 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2kcq s GLN 52 N 7.38 4.54 0.30 3.49 -1.52 -1.26 -4.95 119.66 127.64 2kcq s GLN 52 Ca 1.16 1.56 0.15 0.00 -1.95 0.00 0.00 55.36 56.28 2kcq s GLN 52 Cb -0.93 -2.94 0.31 0.00 -0.22 0.00 0.00 33.01 29.22 2kcq s GLN 52 CO 0.47 0.19 1.56 -0.09 -0.25 0.00 0.00 175.29 177.17 2kcq h ARG 53 N 3.38 0.00 -6.63 2.91 2.43 -1.94 -3.45 114.38 111.08 2kcq h ARG 53 Ca -0.47 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.19 2kcq h ARG 53 Cb 1.21 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2kcq h ARG 53 CO 0.65 0.53 0.11 0.95 -1.51 0.00 0.00 179.97 180.71 2kcq s THR 54 N -3.25 4.59 0.03 0.20 -4.23 -1.26 -4.92 115.64 106.81 2kcq s THR 54 Ca 0.01 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 2kcq s THR 54 Cb 0.10 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2kcq s THR 54 CO 0.73 0.07 0.00 0.54 -0.54 0.00 0.00 174.62 175.42 2kcq n ARG 55 N 0.34 -0.30 -3.85 3.99 1.74 -1.26 -4.92 116.66 112.40 2kcq n ARG 55 Ca -0.00 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.16 2kcq n ARG 55 Cb 0.52 -0.37 -0.10 0.00 -1.02 0.00 0.00 32.46 31.49 2kcq n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2kcq s ARG 56 N -0.30 0.47 0.00 5.56 3.52 -1.26 -4.88 118.95 122.05 2kcq s ARG 56 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 2kcq s ARG 56 Cb 0.00 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 2kcq s ARG 56 CO 0.00 -0.11 0.00 0.66 -0.81 0.00 0.00 175.30 175.04 2kcq n TYR 57 N 1.67 0.00 -2.12 5.12 4.01 -1.26 -4.82 117.16 119.76 2kcq n TYR 57 Ca -0.21 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.14 2kcq n TYR 57 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 2kcq n TYR 57 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2kcq n GLU 58 N 0.00 2.56 0.08 -0.72 1.02 -1.26 -4.48 120.64 117.84 2kcq n GLU 58 Ca 0.00 -2.79 -0.11 0.00 -0.02 0.00 0.00 57.16 54.24 2kcq n GLU 58 Cb 0.00 -3.44 -0.11 0.00 -0.02 0.00 0.00 31.44 27.87 2kcq n GLU 58 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kcq h LEU 59 N 13.40 0.24 -7.29 -4.62 3.38 -1.88 -3.41 115.31 115.13 2kcq h LEU 59 Ca 0.42 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2kcq h LEU 59 Cb 0.82 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 2kcq h LEU 59 CO 1.55 1.16 0.46 0.28 0.09 0.00 0.00 178.44 181.97 2kcq s THR 60 N -2.79 0.00 -0.45 0.22 -1.32 -1.26 -4.07 115.64 105.97 2kcq s THR 60 Ca -0.02 -0.29 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 2kcq s THR 60 Cb 0.09 -1.41 0.12 0.00 -1.51 0.00 0.00 72.50 69.78 2kcq s THR 60 CO 0.85 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 173.46 2kcq s ALA 61 N -3.27 3.17 0.00 11.08 0.00 -1.26 -5.05 121.76 126.43 2kcq s ALA 61 Ca 0.08 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.16 2kcq s ALA 61 Cb -0.01 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2kcq s ALA 61 CO -0.05 -1.87 0.00 -3.47 0.00 0.00 0.00 175.76 170.37 2kcq n ASP 62 N 3.84 -2.86 0.00 0.00 -0.08 -1.26 -2.11 116.55 114.09 2kcq n ASP 62 Ca 0.04 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.46 2kcq n ASP 62 Cb 0.38 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.54 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kcq n ASP 63 N -3.18 0.00 -0.03 1.67 2.03 -1.26 -3.99 116.55 111.79 2kcq n ASP 63 Ca 0.00 0.12 -0.08 0.00 0.52 0.00 0.00 54.79 55.34 2kcq n ASP 63 Cb 0.00 -0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 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 -0.24 -0.61 -0.67 3.20 -1.93 -1.43 116.97 115.30 2kcq h TYR 64 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kcq h TYR 64 Cb 0.37 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2kcq h TYR 64 CO 0.00 -0.16 0.37 0.00 -1.64 0.00 0.00 178.16 176.74 2kcq h ARG 65 N -0.08 0.81 -0.41 1.82 3.08 -1.55 0.77 114.38 118.82 2kcq h ARG 65 Ca 0.11 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2kcq h ARG 65 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2kcq h ARG 65 CO -0.25 0.57 -0.21 0.00 -1.07 0.00 0.00 179.97 179.01 2kcq h ALA 66 N 1.58 0.57 -0.52 0.04 0.00 -1.66 0.19 119.26 119.45 2kcq h ALA 66 Ca 0.22 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2kcq h ALA 66 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kcq h ALA 66 CO -0.04 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 2kcq h ALA 67 N 0.81 0.72 -0.46 0.00 0.00 -0.53 -2.58 119.26 117.22 2kcq h ALA 67 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kcq h ALA 67 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kcq h ALA 67 CO 0.06 0.62 0.27 0.22 0.00 0.00 0.00 179.25 180.43 2kcq h ASP 68 N 0.86 0.56 0.11 0.00 3.58 0.80 0.26 116.42 122.58 2kcq h ASP 68 Ca 0.14 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2kcq h ASP 68 Cb 0.66 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2kcq h ASP 68 CO 0.05 0.46 -0.05 0.00 -2.88 0.00 0.00 179.24 176.82 2kcq h ALA 69 N 1.12 -0.14 -0.20 -0.78 0.00 -0.62 -1.66 119.26 116.98 2kcq h ALA 69 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2kcq h ALA 69 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kcq h ALA 69 CO -0.03 -0.50 -0.20 0.00 0.00 0.00 0.00 179.25 178.51 2kcq h ALA 70 N 0.58 1.28 0.12 0.00 0.00 -1.32 -0.97 119.26 118.95 2kcq h ALA 70 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kcq h ALA 70 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kcq h ALA 70 CO 0.02 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.69 2kcq h ALA 71 N 1.47 -0.16 -0.58 0.00 0.00 -0.36 -0.53 119.26 119.09 2kcq h ALA 71 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kcq h ALA 71 Cb 0.55 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kcq h ALA 71 CO 0.04 -0.54 0.39 1.96 0.00 0.00 0.00 179.25 181.09 2kcq h GLN 72 N -0.26 0.76 -0.71 0.00 4.20 -1.03 0.53 115.11 118.60 2kcq h GLN 72 Ca -0.02 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.70 2kcq h GLN 72 Cb 0.21 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 2kcq h GLN 72 CO 0.03 0.51 0.42 0.93 -0.67 0.00 0.00 178.83 180.04 2kcq h GLU 73 N 0.79 0.76 -0.00 1.46 4.39 -1.05 -1.85 114.58 119.08 2kcq h GLU 73 Ca 0.21 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2kcq h GLU 73 Cb -0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2kcq h GLU 73 CO -0.05 0.50 -0.08 1.04 -1.16 0.00 0.00 179.01 179.26 2kcq n GLN 74 N -4.72 0.67 -2.34 2.33 6.02 -0.22 -4.90 117.38 114.22 2kcq n GLN 74 Ca 0.09 -0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 56.81 2kcq n GLN 74 Cb 0.15 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 1.26 0.18 3.55 1.08 0.00 -0.05 -5.04 105.19 106.17 2kcq n GLY 75 Ca 0.15 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2kcq n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcq n LEU 76 N -1.30 0.00 -4.18 0.99 4.77 0.17 -4.94 117.00 112.50 2kcq n LEU 76 Ca -0.06 -3.22 -0.16 0.00 -0.03 0.00 0.00 56.01 52.54 2kcq n LEU 76 Cb 0.55 0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 42.33 2kcq n LEU 76 CO 0.13 -0.48 -0.01 1.51 -1.33 0.00 0.00 177.39 177.22 2kcq s ASP 77 N -3.69 1.11 -0.47 -1.43 -4.77 0.12 -3.71 116.67 103.83 2kcq s ASP 77 Ca 0.12 -1.57 -0.28 0.00 -3.30 0.00 0.00 52.55 47.52 2kcq s ASP 77 Cb 0.01 0.58 0.03 0.00 -1.09 0.00 0.00 42.92 42.45 2kcq s ASP 77 CO 0.08 -1.14 1.09 -0.69 0.70 0.00 0.00 175.17 175.21 2kcq s VAL 78 N -3.38 4.28 -1.13 2.11 1.01 -1.26 -0.51 120.40 121.52 2kcq s VAL 78 Ca 0.36 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.58 2kcq s VAL 78 Cb 0.02 -4.56 0.05 0.00 0.00 0.00 0.00 36.38 31.89 2kcq s VAL 78 CO 0.22 -0.94 0.75 1.33 0.00 0.00 0.00 175.10 176.46 2kcq n VAL 79 N 6.70 0.00 -3.98 2.92 0.24 -0.56 -4.96 118.33 118.69 2kcq n VAL 79 Ca 0.11 -0.47 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 2kcq n VAL 79 Cb 0.49 1.18 0.02 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.66 0.31 3.05 7.63 0.00 -1.15 -1.70 105.19 113.99 2kcq n GLY 80 Ca 0.05 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.02 0.30 0.12 1.61 1.01 0.49 -0.13 120.40 121.76 2kcq s VAL 81 Ca 0.28 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2kcq s VAL 81 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kcq s VAL 81 CO 0.01 -0.65 -0.17 -0.72 0.00 0.00 0.00 175.10 173.57 2kcq s TYR 82 N -2.36 1.56 -0.06 5.22 -0.85 0.44 -1.38 117.35 119.93 2kcq s TYR 82 Ca -0.05 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2kcq s TYR 82 Cb -0.03 -0.83 0.02 0.00 0.38 0.00 0.00 41.96 41.50 2kcq s TYR 82 CO -0.04 0.18 -0.04 -1.01 -1.52 0.00 0.00 175.55 173.13 2kcq s HIS 83 N -1.70 0.78 -0.20 -3.49 3.76 0.31 -2.51 115.29 112.24 2kcq s HIS 83 Ca 0.08 -0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 2kcq s HIS 83 Cb -0.07 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2kcq s HIS 83 CO 0.04 -0.25 0.04 -1.12 -0.85 0.00 0.00 174.74 172.61 2kcq s SER 84 N 1.24 5.26 -0.07 1.40 0.01 0.58 -1.99 113.70 120.13 2kcq s SER 84 Ca -0.06 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 2kcq s SER 84 Cb -0.14 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2kcq s SER 84 CO -0.02 0.09 0.15 -1.00 0.41 0.00 0.00 173.24 172.87 2kcq s HIS 85 N 0.85 3.54 -0.77 2.43 3.76 -0.24 -4.82 115.29 120.05 2kcq s HIS 85 Ca 0.03 0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 55.11 2kcq s HIS 85 Cb -0.14 -1.88 0.05 0.00 1.11 0.00 0.00 32.58 31.72 2kcq s HIS 85 CO 0.02 0.68 1.23 -1.25 -0.85 0.00 0.00 174.74 174.57 2kcq s PRO 86 N -1.41 3.24 1.39 8.40 0.05 -1.25 -0.11 135.00 145.31 2kcq s PRO 86 Ca 0.20 -0.54 0.00 0.00 0.05 0.00 0.00 61.00 60.71 2kcq s PRO 86 Cb -0.12 -4.37 0.00 0.00 0.05 0.00 0.00 34.50 30.05 2kcq s PRO 86 CO 0.10 -2.07 0.00 -3.47 0.05 0.00 0.00 177.00 171.61 2kcq n ASP 87 N 8.85 -3.00 -0.90 6.66 2.03 -0.51 -4.95 116.55 124.72 2kcq n ASP 87 Ca 0.06 0.05 0.11 0.00 0.52 0.00 0.00 54.79 55.53 2kcq n ASP 87 Cb 0.48 -0.15 -0.06 0.00 -0.72 0.00 0.00 41.12 40.68 2kcq n ASP 87 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kcq n HIS 88 N -1.08 -2.41 -1.20 -0.67 8.25 -1.26 -4.68 115.22 112.16 2kcq n HIS 88 Ca 0.00 1.33 -0.34 0.00 -0.26 0.00 0.00 57.72 58.45 2kcq n HIS 88 Cb 0.02 -2.20 0.11 0.00 1.12 0.00 0.00 29.99 29.04 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 -3.47 0.30 -0.52 -0.41 -0.02 -1.26 -4.75 135.00 124.87 2kcq n PRO 89 Ca -0.06 0.17 -0.05 0.00 -2.02 0.00 0.00 63.50 61.54 2kcq n PRO 89 Cb 0.43 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.94 4.01 -2.57 3.55 0.00 -1.26 -4.84 120.51 116.47 2kcq n ALA 90 Ca 0.13 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 2kcq n ALA 90 Cb 0.50 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 2kcq n ALA 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kcq s ARG 91 N -0.60 2.07 0.23 0.00 1.04 -1.26 -4.71 118.95 115.72 2kcq s ARG 91 Ca 0.10 -1.14 -0.31 0.00 -1.04 0.00 0.00 55.73 53.34 2kcq s ARG 91 Cb 0.08 -2.23 -0.11 0.00 -2.04 0.00 0.00 34.95 30.65 2kcq s ARG 91 CO 0.00 0.47 1.61 -1.25 -0.04 0.00 0.00 175.30 176.10 2kcq s PRO 92 N -2.49 4.16 0.05 3.89 0.04 -1.26 -5.03 135.00 134.37 2kcq s PRO 92 Ca 0.23 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2kcq s PRO 92 Cb -0.10 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.37 2kcq s PRO 92 CO 0.14 -0.64 0.07 0.45 0.04 0.00 0.00 177.00 177.06 2kcq n SER 93 N 3.17 0.13 -0.14 6.66 2.88 -1.26 -4.84 113.62 120.22 2kcq n SER 93 Ca 0.12 -1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 56.51 2kcq n SER 93 Cb 0.37 -0.04 0.04 0.00 -0.75 0.00 0.00 64.21 63.83 2kcq n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kcq h ALA 94 N -0.11 0.50 -0.53 -1.46 0.00 -1.99 -1.13 119.26 114.54 2kcq h ALA 94 Ca -0.02 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2kcq h ALA 94 Cb 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kcq h ALA 94 CO 0.03 -0.28 -0.14 1.15 0.00 0.00 0.00 179.25 180.01 2kcq h THR 95 N 0.26 1.27 -0.71 0.00 2.02 -1.97 0.11 112.91 113.89 2kcq h THR 95 Ca 0.21 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 2kcq h THR 95 Cb 0.24 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2kcq h THR 95 CO -0.25 0.46 0.40 0.44 0.37 0.00 0.00 175.52 176.93 2kcq h ASP 96 N 0.90 0.88 -0.27 4.18 3.32 -1.81 0.12 116.42 123.74 2kcq h ASP 96 Ca 0.13 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2kcq h ASP 96 Cb 0.71 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2kcq h ASP 96 CO 0.05 0.71 -0.16 0.25 -1.72 0.00 0.00 179.24 178.38 2kcq h LEU 97 N 0.97 0.61 -0.92 1.55 7.12 -0.99 -2.42 115.31 121.23 2kcq h LEU 97 Ca 0.25 -0.42 -0.11 0.00 0.13 0.00 0.00 57.88 57.73 2kcq h LEU 97 Cb 0.02 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 39.97 2kcq h LEU 97 CO -0.04 0.90 -0.38 -0.33 -0.13 0.00 0.00 178.44 178.46 2kcq h GLU 98 N 0.32 0.31 -0.46 1.25 5.08 -0.42 -2.41 114.58 118.25 2kcq h GLU 98 Ca 0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kcq h GLU 98 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kcq h GLU 98 CO 0.04 0.65 0.00 0.39 -1.00 0.00 0.00 179.01 179.09 2kcq n GLU 99 N -4.05 2.23 -1.64 2.33 1.02 0.38 -4.53 120.64 116.38 2kcq n GLU 99 Ca -0.01 -1.90 -0.40 0.00 -0.02 0.00 0.00 57.16 54.83 2kcq n GLU 99 Cb 0.47 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.06 7.01 0.30 0.62 0.00 -0.91 -4.53 120.51 124.06 2kcq n ALA 100 Ca 0.18 -3.80 0.10 0.00 0.00 0.00 0.00 53.44 49.93 2kcq n ALA 100 Cb 0.47 -3.16 0.26 0.00 0.00 0.00 0.00 19.45 17.02 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 3.08 0.65 -3.47 0.00 5.66 -1.26 -4.68 114.28 114.26 2kcq n THR 101 Ca 0.69 -0.72 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 2kcq n THR 101 Cb 0.26 0.52 -0.04 0.00 -1.55 0.00 0.00 70.33 69.51 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 -1.35 3.78 -0.09 1.09 0.08 -1.26 -5.06 117.98 115.17 2kcq s PHE 102 Ca 0.38 -2.44 -0.30 0.00 0.12 0.00 0.00 56.93 54.70 2kcq s PHE 102 Cb 0.21 -3.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.05 2kcq s PHE 102 CO 0.28 -0.91 1.19 -2.14 -0.10 0.00 0.00 175.22 173.53 2kcq s PRO 103 N -0.35 4.33 0.00 0.24 0.02 -1.26 -3.08 135.00 134.89 2kcq s PRO 103 Ca 0.21 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2kcq s PRO 103 Cb -0.12 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 30.79 2kcq s PRO 103 CO -0.08 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2kcq n GLY 104 N 3.39 0.71 3.89 0.52 0.00 -1.26 -5.09 105.19 107.35 2kcq n GLY 104 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.46 -0.17 1.61 0.40 -1.18 -4.92 117.98 115.18 2kcq s PHE 105 Ca 0.00 0.64 -0.18 0.00 -0.60 0.00 0.00 56.93 56.80 2kcq s PHE 105 Cb 0.00 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2kcq s PHE 105 CO 0.00 0.34 0.47 0.99 0.70 0.00 0.00 175.22 177.72 2kcq s THR 106 N -1.80 5.16 -0.32 0.64 2.01 -0.69 -4.54 115.64 116.10 2kcq s THR 106 Ca 0.43 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.22 2kcq s THR 106 Cb -0.11 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2kcq s THR 106 CO 0.25 0.25 0.18 -0.31 -0.69 0.00 0.00 174.62 174.30 2kcq s TYR 107 N 1.15 3.20 -0.22 4.92 1.51 -0.96 -0.38 117.35 126.56 2kcq s TYR 107 Ca 0.24 -0.47 -0.09 0.00 -1.01 0.00 0.00 57.07 55.73 2kcq s TYR 107 Cb -0.15 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2kcq s TYR 107 CO 0.09 -0.43 0.12 0.08 -1.11 0.00 0.00 175.55 174.30 2kcq s VAL 108 N 1.64 5.09 -0.10 0.71 1.01 -0.48 0.26 120.40 128.53 2kcq s VAL 108 Ca 0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2kcq s VAL 108 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2kcq s VAL 108 CO 0.08 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 174.69 2kcq s ILE 109 N 0.92 2.05 -0.05 2.22 1.01 -0.14 -0.53 121.20 126.68 2kcq s ILE 109 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2kcq s ILE 109 Cb -0.13 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.58 2kcq s ILE 109 CO 0.03 0.56 -0.10 0.54 0.00 0.00 0.00 174.94 175.97 2kcq s VAL 110 N 0.37 0.94 -0.43 2.92 0.11 -0.84 -0.87 120.40 122.59 2kcq s VAL 110 Ca -0.18 -0.39 -0.26 0.00 -2.93 0.00 0.00 61.98 58.22 2kcq s VAL 110 Cb -0.18 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2kcq s VAL 110 CO 0.08 0.30 0.95 -0.44 -3.33 0.00 0.00 175.10 172.66 2kcq s SER 111 N 0.53 6.58 -0.26 3.54 0.01 -0.32 -1.08 113.70 122.70 2kcq s SER 111 Ca -0.10 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 2kcq s SER 111 Cb -0.13 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.65 2kcq s SER 111 CO 0.02 -1.00 0.00 -0.69 0.41 0.00 0.00 173.24 171.99 2kcq s VAL 112 N 3.72 3.44 -0.90 3.43 1.01 0.85 -0.05 120.40 131.90 2kcq s VAL 112 Ca 0.38 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2kcq s VAL 112 Cb -0.10 -2.73 0.23 0.00 0.00 0.00 0.00 36.38 33.78 2kcq s VAL 112 CO 0.24 0.19 0.84 -0.60 0.00 0.00 0.00 175.10 175.77 2kcq s ARG 113 N 1.43 3.64 -1.00 2.72 3.52 0.24 -1.43 118.95 128.07 2kcq s ARG 113 Ca 0.02 -2.78 -0.10 0.00 -0.13 0.00 0.00 55.73 52.74 2kcq s ARG 113 Cb -0.16 -4.35 -0.03 0.00 -1.56 0.00 0.00 34.95 28.85 2kcq s ARG 113 CO -0.01 -1.26 0.80 -3.47 -0.81 0.00 0.00 175.30 170.55 2kcq n ASP 114 N 3.38 -6.22 0.00 -2.12 2.03 -1.26 -2.54 116.55 109.81 2kcq n ASP 114 Ca 0.17 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2kcq n ASP 114 Cb 0.43 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 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 -1.56 2.57 3.57 0.27 0.00 -1.26 -4.99 105.19 103.80 2kcq n GLY 115 Ca -0.08 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2kcq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq s ALA 116 N -1.22 3.30 -0.44 4.61 0.00 -1.05 -3.19 121.76 123.77 2kcq s ALA 116 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 50.92 2kcq s ALA 116 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2kcq s ALA 116 CO 0.00 -1.87 0.95 -1.25 0.00 0.00 0.00 175.76 173.59 2kcq s PRO 117 N 3.49 3.62 0.00 0.00 0.05 -1.26 0.80 135.00 141.70 2kcq s PRO 117 Ca 0.34 0.29 0.00 0.00 0.05 0.00 0.00 61.00 61.68 2kcq s PRO 117 Cb -0.11 -3.90 0.00 0.00 0.05 0.00 0.00 34.50 30.54 2kcq s PRO 117 CO 0.23 -1.18 0.10 -1.91 0.05 0.00 0.00 177.00 174.28 2kcq n GLU 118 N 7.16 0.00 -3.94 4.56 2.13 0.93 -4.98 120.64 126.50 2kcq n GLU 118 Ca 0.07 0.20 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 2kcq n GLU 118 Cb 0.48 -0.77 -0.14 0.00 0.27 0.00 0.00 31.44 31.29 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 -3.44 0.11 0.17 4.31 0.00 -1.25 -4.99 121.76 116.67 2kcq s ALA 119 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 51.96 51.93 2kcq s ALA 119 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2kcq s ALA 119 CO 0.00 -0.00 -0.24 -0.48 0.00 0.00 0.00 175.76 175.04 2kcq s LEU 120 N -0.25 2.45 0.13 0.00 0.05 -1.26 -1.18 118.68 118.62 2kcq s LEU 120 Ca -0.02 -0.80 -0.11 0.00 0.05 0.00 0.00 54.13 53.25 2kcq s LEU 120 Cb -0.02 -1.24 0.01 0.00 -2.05 0.00 0.00 46.19 42.89 2kcq s LEU 120 CO -0.00 0.14 0.29 -0.89 -0.55 0.00 0.00 176.35 175.34 2kcq s THR 121 N -1.46 0.09 -0.09 5.48 2.01 -0.05 -4.98 115.64 116.65 2kcq s THR 121 Ca 0.19 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2kcq s THR 121 Cb -0.09 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2kcq s THR 121 CO 0.09 -0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 173.55 2kcq s ALA 122 N -3.88 3.10 -0.02 7.40 0.00 -1.23 -0.97 121.76 126.17 2kcq s ALA 122 Ca 0.08 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2kcq s ALA 122 Cb 0.03 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2kcq s ALA 122 CO -0.07 0.53 -0.22 -1.58 0.00 0.00 0.00 175.76 174.42 2kcq s TRP 123 N -0.68 1.96 -0.19 0.00 0.52 0.14 -1.16 118.94 119.52 2kcq s TRP 123 Ca 0.11 -0.37 -0.07 0.00 0.02 0.00 0.00 56.10 55.78 2kcq s TRP 123 Cb -0.12 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 2kcq s TRP 123 CO 0.02 -0.03 0.06 0.00 0.02 0.00 0.00 176.95 177.02 2kcq s ALA 124 N -0.52 3.33 0.12 0.98 0.00 0.87 -2.27 121.76 124.28 2kcq s ALA 124 Ca 0.08 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2kcq s ALA 124 Cb -0.08 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 2kcq s ALA 124 CO -0.01 0.05 0.92 -1.17 0.00 0.00 0.00 175.76 175.55 2kcq s LEU 125 N 0.61 4.52 0.62 0.00 2.96 -1.26 -0.54 118.68 125.58 2kcq s LEU 125 Ca 0.03 1.76 -0.19 0.00 -0.22 0.00 0.00 54.13 55.51 2kcq s LEU 125 Cb -0.13 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2kcq s LEU 125 CO 0.01 -0.00 1.27 0.00 -1.32 0.00 0.00 176.35 176.31 2kcq s ALA 126 N -0.27 2.48 0.16 5.97 0.00 0.47 -4.84 121.76 125.73 2kcq s ALA 126 Ca 0.44 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 2kcq s ALA 126 Cb -0.23 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.41 2kcq s ALA 126 CO 0.29 -1.42 1.33 -2.30 0.00 0.00 0.00 175.76 173.66 2kcq n PRO 127 N -1.71 -0.31 -1.18 0.00 -0.02 -1.26 -0.18 135.00 130.33 2kcq n PRO 127 Ca 0.15 1.31 -0.22 0.00 -2.02 0.00 0.00 63.50 62.72 2kcq n PRO 127 Cb 0.48 -1.94 0.17 0.00 -0.02 0.00 0.00 33.50 32.20 2kcq n PRO 127 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kcq n ASP 128 N -5.15 3.93 -0.91 2.55 2.03 -1.26 -4.87 116.55 112.86 2kcq n ASP 128 Ca 0.04 -3.66 -0.12 0.00 0.52 0.00 0.00 54.79 51.57 2kcq n ASP 128 Cb 0.27 -0.81 -0.05 0.00 -0.72 0.00 0.00 41.12 39.81 2kcq n ASP 128 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kcq n ARG 129 N -1.12 -1.06 0.21 -0.67 1.74 0.74 -4.87 116.66 111.63 2kcq n ARG 129 Ca 0.56 0.89 0.05 0.00 -0.77 0.00 0.00 57.85 58.58 2kcq n ARG 129 Cb 1.47 -4.99 0.46 0.00 -1.02 0.00 0.00 32.46 28.38 2kcq n ARG 129 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2kcq h SER 130 N 0.00 0.00 -5.48 0.55 0.02 -1.90 -3.46 113.55 103.28 2kcq h SER 130 Ca -0.24 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 60.89 2kcq h SER 130 Cb 0.89 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2kcq h SER 130 CO 0.36 0.27 0.64 -1.83 -1.14 0.00 0.00 176.83 175.13 2kcq s GLU 131 N -4.35 1.19 0.17 3.45 -1.05 -1.26 -5.02 118.70 111.83 2kcq s GLU 131 Ca -0.03 -0.77 0.09 0.00 -0.15 0.00 0.00 54.97 54.11 2kcq s GLU 131 Cb 0.15 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2kcq s GLU 131 CO 0.70 -0.56 -0.14 -0.06 0.95 0.00 0.00 175.26 176.15 2kcq s PHE 132 N -2.07 2.54 0.06 4.83 0.08 -1.26 -0.40 117.98 121.75 2kcq s PHE 132 Ca 0.24 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2kcq s PHE 132 Cb -0.03 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 2kcq s PHE 132 CO 0.05 0.49 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.47 2kcq s HIS 133 N -1.60 1.49 0.07 0.36 3.76 0.30 -4.93 115.29 114.74 2kcq s HIS 133 Ca 0.23 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 2kcq s HIS 133 Cb -0.09 -0.87 -0.05 0.00 1.11 0.00 0.00 32.58 32.68 2kcq s HIS 133 CO 0.13 0.09 0.35 0.50 -0.85 0.00 0.00 174.74 174.96 2kcq s ARG 134 N -1.40 3.67 0.03 1.40 3.52 -1.26 -0.09 118.95 124.82 2kcq s ARG 134 Ca 0.04 0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2kcq s ARG 134 Cb -0.09 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2kcq s ARG 134 CO 0.02 0.57 -0.01 -2.00 -0.81 0.00 0.00 175.30 173.07 2kcq s GLU 135 N -2.03 0.44 0.19 5.12 2.12 -0.31 -4.90 118.70 119.33 2kcq s GLU 135 Ca 0.33 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 2kcq s GLU 135 Cb -0.13 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 2kcq s GLU 135 CO 0.19 -0.08 0.38 -0.51 -0.54 0.00 0.00 175.26 174.70 2kcq s ASP 136 N -1.97 6.39 -0.20 -1.70 1.01 -1.26 -3.47 116.67 115.47 2kcq s ASP 136 Ca -0.08 0.40 -0.26 0.00 0.71 0.00 0.00 52.55 53.33 2kcq s ASP 136 Cb -0.04 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 2kcq s ASP 136 CO -0.04 -0.02 0.88 -0.63 0.21 0.00 0.00 175.17 175.56 2kcq s ILE 137 N -1.83 4.83 0.16 0.77 1.09 -1.26 -4.80 121.20 120.15 2kcq s ILE 137 Ca 0.38 1.71 0.07 0.00 -1.10 0.00 0.00 60.65 61.71 2kcq s ILE 137 Cb -0.11 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 2kcq s ILE 137 CO 0.29 -0.04 0.02 0.68 -0.10 0.00 0.00 174.94 175.79 2kcq s VAL 138 N 2.54 3.89 0.61 2.92 -7.23 -1.16 -4.98 120.40 117.00 2kcq s VAL 138 Ca 0.39 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 2kcq s VAL 138 Cb -0.16 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2kcq s VAL 138 CO 0.10 -0.08 1.03 -0.13 -0.31 0.00 0.00 175.10 175.71 2kcq s ARG 139 N -2.90 3.50 -0.68 4.82 0.52 -1.23 -0.60 118.95 122.38 2kcq s ARG 139 Ca 0.28 0.87 -0.26 0.00 -0.52 0.00 0.00 55.73 56.09 2kcq s ARG 139 Cb -0.10 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 2kcq s ARG 139 CO 0.19 -0.65 1.70 -1.25 0.02 0.00 0.00 175.30 175.31 2kcq s PRO 140 N -4.86 2.80 -0.46 3.54 0.04 -1.26 -4.65 135.00 130.16 2kcq s PRO 140 Ca 0.57 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 2kcq s PRO 140 Cb -0.12 -4.41 0.05 0.00 0.04 0.00 0.00 34.50 30.06 2kcq s PRO 140 CO 0.49 -2.61 0.47 -0.51 0.04 0.00 0.00 177.00 174.88 2kcq s ASP 141 N 6.83 6.18 -0.08 6.66 1.01 -1.26 -4.93 116.67 131.09 2kcq s ASP 141 Ca 0.58 -0.94 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2kcq s ASP 141 Cb -0.11 -2.23 0.11 0.00 1.01 0.00 0.00 42.92 41.70 2kcq s ASP 141 CO 0.17 -0.68 1.21 -0.81 0.21 0.00 0.00 175.17 175.26 2kcq n PRO 142 N 5.62 1.21 -0.00 8.23 -0.05 -1.26 -3.48 135.00 145.27 2kcq n PRO 142 Ca -0.09 -0.49 0.01 0.00 -0.05 0.00 0.00 63.50 62.88 2kcq n PRO 142 Cb 0.46 -1.19 0.01 0.00 -0.05 0.00 0.00 33.50 32.72 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2kcq n GLU 143 N 0.29 -0.63 -2.59 0.54 1.02 -1.26 -5.01 120.64 113.01 2kcq n GLU 143 Ca 0.10 -0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 56.18 2kcq n GLU 143 Cb 0.68 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.18 3.29 0.89 0.62 0.00 -1.23 -5.04 121.76 120.11 2kcq s ALA 144 Ca 0.02 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 2kcq s ALA 144 Cb 0.02 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.90 2kcq s ALA 144 CO 0.02 -0.24 1.10 -2.14 0.00 0.00 0.00 175.76 174.50 2kcq s PRO 145 N 0.51 1.30 0.44 0.00 0.02 -1.26 -4.96 135.00 131.05 2kcq s PRO 145 Ca 0.52 1.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.42 2kcq s PRO 145 Cb -0.26 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 2kcq s PRO 145 CO 0.30 -2.30 1.18 1.28 -0.33 0.00 0.00 177.00 177.14 2kcq n LEU 146 N -3.96 3.69 -4.82 -5.54 4.77 -1.26 -4.97 117.00 104.90 2kcq n LEU 146 Ca 0.08 1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 56.80 2kcq n LEU 146 Cb 0.54 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 2kcq n LEU 146 CO 0.53 -0.95 0.68 -0.70 -1.33 0.00 0.00 177.39 175.63 2kcq s GLU 147 N -2.22 3.90 0.00 3.23 -6.30 -1.26 -4.97 118.70 111.08 2kcq s GLU 147 Ca 0.63 1.12 0.00 0.00 -2.50 0.00 0.00 54.97 54.22 2kcq s GLU 147 Cb -0.51 -2.12 0.00 0.00 0.00 0.00 0.00 34.13 31.49 2kcq s GLU 147 CO 0.57 -0.32 0.75 -2.39 0.02 0.00 0.00 175.26 173.88 2kcq n HIS 148 N -1.27 0.00 -2.44 5.30 1.44 -1.26 -5.06 115.22 111.93 2kcq n HIS 148 Ca 0.08 -0.33 -0.38 0.00 -2.01 0.00 0.00 57.72 55.08 2kcq n HIS 148 Cb 0.54 0.41 -0.03 0.00 0.12 0.00 0.00 29.99 31.02 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcq s HIS 149 N 0.00 2.39 -0.16 -1.40 5.04 -1.26 -4.73 115.29 115.17 2kcq s HIS 149 Ca 0.00 -0.59 -0.14 0.00 -1.54 0.00 0.00 55.06 52.79 2kcq s HIS 149 Cb 0.00 -4.55 -0.11 0.00 0.04 0.00 0.00 32.58 27.96 2kcq s HIS 149 CO 0.00 -1.86 0.08 0.45 -2.34 0.00 0.00 174.74 171.07 2kcq h HIS 150 N 9.83 0.00 -5.46 3.88 3.86 -2.03 -3.50 115.15 121.74 2kcq h HIS 150 Ca 0.21 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2kcq h HIS 150 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2kcq h HIS 150 CO 1.28 0.64 -0.63 1.58 0.86 0.00 0.00 177.93 181.66 2kcq n HIS 151 N -4.57 -3.39 -0.02 2.45 -0.00 -1.26 -4.97 115.22 103.47 2kcq n HIS 151 Ca -0.16 1.38 0.08 0.00 -0.00 0.00 0.00 57.72 59.02 2kcq n HIS 151 Cb 0.40 -3.74 -0.14 0.00 -0.00 0.00 0.00 29.99 26.51 2kcq n HIS 151 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcq n HIS 152 N -0.21 0.00 -1.35 1.57 -0.00 -1.26 -5.33 115.22 108.64 2kcq n HIS 152 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2kcq n HIS 152 Cb 0.46 -0.47 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kcq n HIS 152 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41