#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 3.98 0.32 2.12 3.01 0.13 -2.74 119.74 126.56 2kcq s LYS 2 Ca 0.00 0.37 -0.17 0.00 -1.01 0.00 0.00 55.97 55.16 2kcq s LYS 2 Cb 0.00 -3.27 0.03 0.00 -1.01 0.00 0.00 37.83 33.58 2kcq s LYS 2 CO 0.00 0.59 0.70 -0.08 0.51 0.00 0.00 175.35 177.07 2kcq s THR 3 N -0.72 0.00 0.19 2.17 -1.32 -0.59 -0.90 115.64 114.48 2kcq s THR 3 Ca 0.23 -1.09 0.09 0.00 -1.21 0.00 0.00 61.69 59.71 2kcq s THR 3 Cb -0.16 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2kcq s THR 3 CO 0.12 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.76 2kcq s THR 4 N -3.25 1.99 0.46 5.08 -4.23 -1.26 -4.34 115.64 110.09 2kcq s THR 4 Ca 0.15 -2.06 0.22 0.00 -1.18 0.00 0.00 61.69 58.82 2kcq s THR 4 Cb -0.05 -1.99 0.41 0.00 1.34 0.00 0.00 72.50 72.21 2kcq s THR 4 CO 0.10 -0.35 1.87 1.55 -0.54 0.00 0.00 174.62 177.25 2kcq h PRO 5 N 2.97 0.25 -0.21 3.99 0.13 -2.00 -0.74 132.00 136.40 2kcq h PRO 5 Ca -0.42 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2kcq h PRO 5 Cb 1.22 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kcq h PRO 5 CO 0.54 0.17 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.03 2kcq h ASP 6 N 0.26 -0.10 -0.27 1.44 5.19 -1.99 -0.28 116.42 120.66 2kcq h ASP 6 Ca 0.46 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.87 2kcq h ASP 6 Cb 1.36 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.95 2kcq h ASP 6 CO -0.13 -0.02 -0.02 0.40 -3.12 0.00 0.00 179.24 176.35 2kcq h ILE 7 N 0.05 1.27 -0.78 0.35 1.08 -1.52 -1.66 117.51 116.29 2kcq h ILE 7 Ca 0.10 -0.98 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 2kcq h ILE 7 Cb 0.13 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 2kcq h ILE 7 CO -0.17 0.31 0.51 -0.07 -0.69 0.00 0.00 178.15 178.04 2kcq h LEU 8 N 0.26 0.86 -0.37 1.44 3.38 -1.21 -0.79 115.31 118.88 2kcq h LEU 8 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2kcq h LEU 8 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2kcq h LEU 8 CO 0.02 0.61 -0.28 -0.78 0.09 0.00 0.00 178.44 178.10 2kcq h ASP 9 N 1.02 0.88 -0.88 -0.43 3.58 -0.97 -2.87 116.42 116.75 2kcq h ASP 9 Ca 0.30 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 57.36 2kcq h ASP 9 Cb -0.06 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 40.69 2kcq h ASP 9 CO -0.09 1.14 0.57 1.56 -2.88 0.00 0.00 179.24 179.55 2kcq h GLN 10 N 0.64 0.99 -0.87 0.28 4.20 -0.78 -1.13 115.11 118.43 2kcq h GLN 10 Ca 0.07 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2kcq h GLN 10 Cb 0.86 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2kcq h GLN 10 CO 0.07 0.65 0.57 0.82 -0.67 0.00 0.00 178.83 180.28 2kcq h ILE 11 N 1.02 1.23 -0.02 2.54 2.04 -0.95 0.24 117.51 123.59 2kcq h ILE 11 Ca 0.37 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2kcq h ILE 11 Cb 0.16 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2kcq h ILE 11 CO -0.13 0.22 0.00 0.03 0.00 0.00 0.00 178.15 178.27 2kcq h ARG 12 N 1.19 0.04 -0.06 2.37 3.08 -1.07 0.80 114.38 120.74 2kcq h ARG 12 Ca 0.32 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2kcq h ARG 12 Cb -0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2kcq h ARG 12 CO -0.07 0.28 -0.00 0.28 -1.07 0.00 0.00 179.97 179.39 2kcq h VAL 13 N -0.22 1.25 0.00 2.04 2.07 -1.02 -1.42 116.25 118.96 2kcq h VAL 13 Ca 0.01 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2kcq h VAL 13 Cb 0.26 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2kcq h VAL 13 CO 0.00 0.21 -0.29 0.45 0.02 0.00 0.00 177.57 177.96 2kcq h HIS 14 N -0.20 0.00 -0.03 1.57 3.86 -0.59 0.20 115.15 119.96 2kcq h HIS 14 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2kcq h HIS 14 Cb 0.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2kcq h HIS 14 CO 0.03 0.29 -0.00 0.78 0.86 0.00 0.00 177.93 179.89 2kcq h GLY 15 N 1.20 0.05 2.00 2.45 0.00 -0.58 -1.62 103.07 106.57 2kcq h GLY 15 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2kcq h GLY 15 CO 0.04 0.04 -0.46 0.00 0.00 0.00 0.00 176.54 176.16 2kcq h ALA 16 N 0.66 1.22 -0.79 3.60 0.00 -1.06 -2.59 119.26 120.30 2kcq h ALA 16 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2kcq h ALA 16 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2kcq h ALA 16 CO 0.00 0.58 0.52 0.22 0.00 0.00 0.00 179.25 180.57 2kcq h ASP 17 N 0.00 0.91 -0.31 0.00 3.58 -0.51 -2.74 116.42 117.35 2kcq h ASP 17 Ca -0.00 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 2kcq h ASP 17 Cb 0.83 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 2kcq h ASP 17 CO 0.06 0.66 -0.13 0.00 -2.88 0.00 0.00 179.24 176.95 2kcq h ALA 18 N 1.51 0.43 -2.94 -0.78 0.00 -0.90 -3.45 119.26 113.13 2kcq h ALA 18 Ca 0.29 -0.32 -0.56 0.00 0.00 0.00 0.00 54.91 54.32 2kcq h ALA 18 Cb -0.12 -0.11 0.14 0.00 0.00 0.00 0.00 17.79 17.70 2kcq h ALA 18 CO -0.06 0.31 0.53 0.66 0.00 0.00 0.00 179.25 180.69 2kcq n TYR 19 N -4.41 2.13 1.64 0.00 4.02 -1.04 -0.84 117.16 118.67 2kcq n TYR 19 Ca -0.03 0.45 0.15 0.00 -0.01 0.00 0.00 57.90 58.46 2kcq n TYR 19 Cb 0.36 -2.35 0.82 0.00 -0.02 0.00 0.00 39.34 38.16 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 -0.75 0.67 -1.98 -0.72 -0.04 -1.26 -4.99 135.00 125.92 2kcq n PRO 20 Ca 0.10 -0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 2kcq n PRO 20 Cb 0.44 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.34 0.98 -0.05 0.54 2.02 -0.02 -5.04 118.70 114.78 2kcq s GLU 21 Ca 0.36 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.86 2kcq s GLU 21 Cb 0.21 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.48 2kcq s GLU 21 CO 0.43 -2.18 0.32 -1.83 0.02 0.00 0.00 175.26 172.01 2kcq s GLU 22 N -5.77 3.79 0.00 1.61 1.03 -1.26 -4.74 118.70 113.36 2kcq s GLU 22 Ca 0.71 0.22 0.00 0.00 0.03 0.00 0.00 54.97 55.93 2kcq s GLU 22 Cb -0.05 -3.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.05 2kcq s GLU 22 CO 0.52 0.68 0.00 0.41 -1.33 0.00 0.00 175.26 175.54 2kcq n GLY 23 N 1.99 0.15 7.00 -3.83 0.00 -1.26 -4.80 105.19 104.43 2kcq n GLY 23 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.74 3.56 0.00 0.00 -1.20 -0.52 105.19 107.77 2kcq n GLY 25 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.32 2.42 -0.14 1.61 0.40 -0.48 -2.16 117.98 116.31 2kcq s PHE 26 Ca 0.00 -0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2kcq s PHE 26 Cb 0.00 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 2kcq s PHE 26 CO 0.00 0.52 -0.08 -0.51 0.70 0.00 0.00 175.22 175.85 2kcq s LEU 27 N -3.63 3.02 0.03 -0.37 1.43 0.10 -0.97 118.68 118.28 2kcq s LEU 27 Ca 0.33 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2kcq s LEU 27 Cb 0.05 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2kcq s LEU 27 CO 0.17 0.18 -0.14 -0.76 0.23 0.00 0.00 176.35 176.02 2kcq s LEU 28 N 0.29 2.79 0.00 1.79 1.43 0.28 -1.10 118.68 124.16 2kcq s LEU 28 Ca -0.06 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2kcq s LEU 28 Cb -0.15 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2kcq s LEU 28 CO 0.04 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2kcq n GLY 29 N 1.53 -0.72 3.71 -3.19 0.00 -0.74 -0.52 105.19 105.26 2kcq n GLY 29 Ca -0.16 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 3.84 -0.26 2.61 -4.23 -0.89 -2.16 115.64 111.54 2kcq s THR 30 Ca 0.00 -1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2kcq s THR 30 Cb 0.00 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 2kcq s THR 30 CO 0.00 -0.30 0.55 -0.69 -0.54 0.00 0.00 174.62 173.64 2kcq s VAL 31 N -2.12 5.04 -0.18 2.29 1.01 -1.26 0.25 120.40 125.43 2kcq s VAL 31 Ca 0.31 0.93 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 2kcq s VAL 31 Cb -0.08 -3.86 -0.21 0.00 0.00 0.00 0.00 36.38 32.23 2kcq s VAL 31 CO 0.21 0.06 0.29 0.74 0.00 0.00 0.00 175.10 176.40 2kcq h THR 32 N 5.41 0.90 -0.21 3.92 2.02 -1.29 -3.37 112.91 120.29 2kcq h THR 32 Ca -0.28 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2kcq h THR 32 Cb 1.14 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 2kcq h THR 32 CO 0.73 0.46 0.00 0.47 0.37 0.00 0.00 175.52 177.55 2kcq n ASP 33 N -4.22 3.15 -2.05 4.18 9.92 -1.17 -4.89 116.55 121.46 2kcq n ASP 33 Ca -0.31 -1.96 -0.19 0.00 -0.53 0.00 0.00 54.79 51.81 2kcq n ASP 33 Cb 0.76 -0.13 -0.02 0.00 -0.64 0.00 0.00 41.12 41.09 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kcq n ASP 34 N 1.35 -5.44 0.00 -2.24 2.03 -1.26 -4.57 116.55 106.42 2kcq n ASP 34 Ca 0.16 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2kcq n ASP 34 Cb 0.57 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 35 N -0.96 0.07 3.62 0.27 0.00 -1.26 -5.12 105.19 101.80 2kcq n GLY 35 Ca -0.22 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.84 4.53 0.11 1.61 2.15 -1.26 -5.04 116.67 117.93 2kcq s ASP 36 Ca 0.00 -0.46 0.05 0.00 0.43 0.00 0.00 52.55 52.57 2kcq s ASP 36 Cb 0.00 -0.88 -0.04 0.00 -0.30 0.00 0.00 42.92 41.70 2kcq s ASP 36 CO 0.00 0.11 -0.01 0.54 -0.17 0.00 0.00 175.17 175.64 2kcq s ASN 37 N -2.80 4.94 -0.05 -0.34 2.20 -1.26 -0.82 114.94 116.80 2kcq s ASN 37 Ca 0.26 -0.23 0.05 0.00 -0.94 0.00 0.00 52.86 51.99 2kcq s ASN 37 Cb -0.09 -1.14 -0.02 0.00 -2.00 0.00 0.00 41.25 38.00 2kcq s ASN 37 CO 0.17 0.16 -0.19 -0.60 -2.94 0.00 0.00 177.10 173.70 2kcq s ARG 38 N -2.43 2.54 -0.35 3.55 3.52 0.14 0.18 118.95 126.09 2kcq s ARG 38 Ca 0.26 -0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 2kcq s ARG 38 Cb -0.11 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2kcq s ARG 38 CO 0.18 0.51 0.31 0.08 -0.81 0.00 0.00 175.30 175.57 2kcq s VAL 39 N -0.45 5.23 0.00 7.11 1.01 -0.08 -2.10 120.40 131.11 2kcq s VAL 39 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2kcq s VAL 39 Cb -0.12 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2kcq s VAL 39 CO 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.02 2kcq n ALA 40 N 5.25 1.85 -3.01 5.51 0.00 -0.32 -4.54 120.51 125.25 2kcq n ALA 40 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2kcq n ALA 40 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.99 -0.24 -0.05 0.00 0.00 0.32 -4.98 121.76 115.83 2kcq s ALA 41 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2kcq s ALA 41 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2kcq s ALA 41 CO 0.00 -0.09 -0.03 -0.51 0.00 0.00 0.00 175.76 175.13 2kcq s LEU 42 N -0.35 3.37 -0.19 0.00 1.43 -1.26 -0.55 118.68 121.12 2kcq s LEU 42 Ca -0.04 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2kcq s LEU 42 Cb -0.03 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2kcq s LEU 42 CO 0.00 0.34 -0.18 -2.28 0.23 0.00 0.00 176.35 174.47 2kcq s HIS 43 N -0.92 2.81 0.01 0.29 5.65 -0.15 -4.92 115.29 118.07 2kcq s HIS 43 Ca 0.15 -1.54 -0.18 0.00 0.25 0.00 0.00 55.06 53.74 2kcq s HIS 43 Cb -0.11 -1.95 -0.06 0.00 -1.18 0.00 0.00 32.58 29.28 2kcq s HIS 43 CO 0.04 -0.77 0.51 1.03 -0.65 0.00 0.00 174.74 174.91 2kcq s ARG 44 N 1.32 4.16 0.31 2.88 0.52 -1.26 -1.39 118.95 125.50 2kcq s ARG 44 Ca 0.05 0.60 0.05 0.00 -0.52 0.00 0.00 55.73 55.91 2kcq s ARG 44 Cb -0.13 -3.28 0.68 0.00 0.52 0.00 0.00 34.95 32.74 2kcq s ARG 44 CO -0.12 0.53 1.82 0.00 0.02 0.00 0.00 175.30 177.56 2kcq h ALA 45 N 5.11 1.65 0.00 2.13 0.00 -0.53 0.45 119.26 128.06 2kcq h ALA 45 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kcq h ALA 45 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kcq h ALA 45 CO 0.66 0.06 0.00 2.41 0.00 0.00 0.00 179.25 182.37 2kcq n THR 46 N -4.66 0.57 -2.90 0.00 -1.04 -1.26 -4.37 114.28 100.62 2kcq n THR 46 Ca 0.20 0.14 -0.44 0.00 -2.04 0.00 0.00 64.05 61.92 2kcq n THR 46 Cb 0.47 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 2kcq n THR 46 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2kcq s ASN 47 N -2.47 6.59 0.32 8.00 0.01 0.15 -5.00 114.94 122.53 2kcq s ASN 47 Ca 0.13 -1.93 0.07 0.00 -0.71 0.00 0.00 52.86 50.41 2kcq s ASN 47 Cb 0.08 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 2kcq s ASN 47 CO 0.18 -1.12 0.32 -0.13 -1.51 0.00 0.00 177.10 174.83 2kcq s ARG 48 N 2.93 2.88 0.01 -0.60 3.00 -1.26 -4.76 118.95 121.14 2kcq s ARG 48 Ca 0.33 -1.17 0.00 0.00 0.00 0.00 0.00 55.73 54.89 2kcq s ARG 48 Cb -0.05 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.31 2kcq s ARG 48 CO -0.08 0.16 0.00 -2.13 0.00 0.00 0.00 175.30 173.24 2kcq n ARG 49 N -1.40 -1.74 -4.02 3.54 0.63 -0.55 -5.03 116.66 108.08 2kcq n ARG 49 Ca -0.03 1.60 -0.11 0.00 -0.92 0.00 0.00 57.85 58.39 2kcq n ARG 49 Cb 0.59 -1.90 -0.11 0.00 0.45 0.00 0.00 32.46 31.48 2kcq n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2kcq s SER 50 N -0.20 0.55 -1.07 6.15 0.15 -1.26 -5.08 113.70 112.94 2kcq s SER 50 Ca 0.00 -0.50 -0.19 0.00 0.70 0.00 0.00 55.95 55.96 2kcq s SER 50 Cb 0.00 0.06 0.10 0.00 -1.71 0.00 0.00 66.02 64.47 2kcq s SER 50 CO 0.00 -0.23 1.39 -1.61 1.20 0.00 0.00 173.24 173.99 2kcq s GLU 51 N -1.43 3.75 -0.23 5.44 2.02 -1.26 -4.97 118.70 122.01 2kcq s GLU 51 Ca -0.12 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 52.85 2kcq s GLU 51 Cb -0.09 -5.20 0.01 0.00 0.10 0.00 0.00 34.13 28.95 2kcq s GLU 51 CO -0.00 -2.00 1.06 -1.14 0.02 0.00 0.00 175.26 173.20 2kcq s GLN 52 N 3.53 4.24 0.04 1.61 0.74 -1.26 -4.96 119.66 123.60 2kcq s GLN 52 Ca 0.42 1.36 -0.32 0.00 0.05 0.00 0.00 55.36 56.88 2kcq s GLN 52 Cb -0.01 -3.66 -0.18 0.00 1.10 0.00 0.00 33.01 30.26 2kcq s GLN 52 CO -0.05 -0.66 1.36 -0.09 -0.55 0.00 0.00 175.29 175.30 2kcq h ARG 53 N 7.57 -1.01 -5.25 1.67 9.65 -1.93 -3.38 114.38 121.69 2kcq h ARG 53 Ca -0.20 0.07 -0.65 0.00 -1.10 0.00 0.00 59.98 58.10 2kcq h ARG 53 Cb 1.06 0.23 -0.16 0.00 -1.39 0.00 0.00 29.97 29.71 2kcq h ARG 53 CO 0.98 -0.66 0.32 0.99 2.80 0.00 0.00 179.97 184.40 2kcq s THR 54 N -5.36 4.60 -1.24 0.20 2.01 -1.26 -4.96 115.64 109.63 2kcq s THR 54 Ca -0.17 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 2kcq s THR 54 Cb 0.02 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 2kcq s THR 54 CO 0.53 -1.12 1.85 0.54 -0.69 0.00 0.00 174.62 175.72 2kcq n ARG 55 N 6.93 2.32 0.01 4.92 1.74 -1.26 -4.66 116.66 126.65 2kcq n ARG 55 Ca -0.04 -2.82 -0.18 0.00 -0.77 0.00 0.00 57.85 54.04 2kcq n ARG 55 Cb 0.45 -3.62 -0.13 0.00 -1.02 0.00 0.00 32.46 28.15 2kcq n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kcq h ARG 56 N 8.69 0.28 -5.51 5.56 2.47 -1.94 -3.47 114.38 120.46 2kcq h ARG 56 Ca 0.33 -0.37 -0.43 0.00 -1.26 0.00 0.00 59.98 58.25 2kcq h ARG 56 Cb 0.90 0.12 -0.19 0.00 -1.65 0.00 0.00 29.97 29.15 2kcq h ARG 56 CO 1.35 1.11 -0.77 0.71 0.56 0.00 0.00 179.97 182.92 2kcq s TYR 57 N -2.80 1.44 -1.55 3.04 2.02 -1.26 -5.04 117.35 113.19 2kcq s TYR 57 Ca -0.14 -0.53 0.09 0.00 -0.37 0.00 0.00 57.07 56.12 2kcq s TYR 57 Cb 0.01 -0.76 0.34 0.00 -0.40 0.00 0.00 41.96 41.15 2kcq s TYR 57 CO 0.79 0.15 1.20 0.39 -1.57 0.00 0.00 175.55 176.52 2kcq n GLU 58 N 0.65 2.16 -3.10 -0.62 1.02 -1.26 -4.77 120.64 114.71 2kcq n GLU 58 Ca -0.16 -1.34 -0.44 0.00 -0.02 0.00 0.00 57.16 55.19 2kcq n GLU 58 Cb 0.56 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 2kcq n GLU 58 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcq s LEU 59 N -1.10 5.19 -0.03 -4.62 2.01 -1.26 -4.74 118.68 114.13 2kcq s LEU 59 Ca 0.24 -1.26 0.05 0.00 0.01 0.00 0.00 54.13 53.17 2kcq s LEU 59 Cb 0.15 -2.35 -0.07 0.00 0.01 0.00 0.00 46.19 43.93 2kcq s LEU 59 CO 0.13 -1.09 0.05 0.35 1.01 0.00 0.00 176.35 176.81 2kcq n THR 60 N 5.60 0.19 0.24 5.49 -2.24 -1.26 -4.37 114.28 117.93 2kcq n THR 60 Ca -0.08 -0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.67 2kcq n THR 60 Cb 0.43 -0.37 0.40 0.00 -2.10 0.00 0.00 70.33 68.70 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcq h ALA 61 N 0.33 0.98 -1.87 6.98 0.00 -1.96 -1.46 119.26 122.26 2kcq h ALA 61 Ca -0.08 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 2kcq h ALA 61 Cb 0.87 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2kcq h ALA 61 CO 0.00 0.06 0.94 0.34 0.00 0.00 0.00 179.25 180.59 2kcq s ASP 62 N -6.01 6.69 0.42 0.00 -1.08 -1.26 -4.72 116.67 110.72 2kcq s ASP 62 Ca 0.04 0.92 0.27 0.00 -0.52 0.00 0.00 52.55 53.26 2kcq s ASP 62 Cb 0.07 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.84 2kcq s ASP 62 CO 0.62 -1.12 1.78 -2.24 0.52 0.00 0.00 175.17 174.73 2kcq h ASP 63 N 9.11 0.00 -0.08 -0.34 2.03 -1.86 0.23 116.42 125.51 2kcq h ASP 63 Ca -0.24 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.03 2kcq h ASP 63 Cb 1.08 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2kcq h ASP 63 CO 1.07 0.00 -0.06 0.22 -1.03 0.00 0.00 179.24 179.43 2kcq h TYR 64 N 0.00 0.22 -0.56 4.15 3.20 -1.92 0.22 116.97 122.28 2kcq h TYR 64 Ca 0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2kcq h TYR 64 Cb 0.71 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2kcq h TYR 64 CO 0.00 0.59 0.20 0.00 -1.64 0.00 0.00 178.16 177.31 2kcq h ARG 65 N -0.22 0.82 -0.16 1.82 2.47 -1.74 -1.08 114.38 116.30 2kcq h ARG 65 Ca 0.02 -0.14 -0.11 0.00 -1.26 0.00 0.00 59.98 58.49 2kcq h ARG 65 Cb 0.55 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2kcq h ARG 65 CO 0.02 0.70 -0.38 0.00 0.56 0.00 0.00 179.97 180.86 2kcq h ALA 66 N 1.41 1.04 -0.38 0.04 0.00 -0.46 0.56 119.26 121.48 2kcq h ALA 66 Ca 0.19 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 66 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kcq h ALA 66 CO -0.01 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.59 2kcq h ALA 67 N 1.29 0.54 -0.43 0.00 0.00 -0.02 0.87 119.26 121.51 2kcq h ALA 67 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2kcq h ALA 67 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kcq h ALA 67 CO 0.07 0.53 0.03 0.22 0.00 0.00 0.00 179.25 180.10 2kcq h ASP 68 N 0.63 0.72 0.38 0.00 1.82 -1.05 -0.38 116.42 118.54 2kcq h ASP 68 Ca 0.08 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.41 2kcq h ASP 68 Cb 0.82 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2kcq h ASP 68 CO 0.07 0.83 -0.18 0.00 -1.61 0.00 0.00 179.24 178.35 2kcq h ALA 69 N 0.91 -0.51 -0.60 -0.78 0.00 -0.78 0.13 119.26 117.63 2kcq h ALA 69 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kcq h ALA 69 Cb 0.45 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kcq h ALA 69 CO 0.02 -0.76 0.37 0.00 0.00 0.00 0.00 179.25 178.88 2kcq h ALA 70 N 0.06 1.54 0.11 0.00 0.00 -0.78 0.34 119.26 120.52 2kcq h ALA 70 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kcq h ALA 70 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kcq h ALA 70 CO 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 2kcq h ALA 71 N 1.60 -0.15 -0.83 0.00 0.00 -0.85 -2.08 119.26 116.95 2kcq h ALA 71 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kcq h ALA 71 Cb -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2kcq h ALA 71 CO -0.04 -0.49 0.54 0.37 0.00 0.00 0.00 179.25 179.63 2kcq h GLN 72 N -0.34 1.04 -1.00 0.00 5.75 0.16 0.61 115.11 121.34 2kcq h GLN 72 Ca -0.01 -0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 2kcq h GLN 72 Cb 0.28 -0.24 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 2kcq h GLN 72 CO 0.02 0.69 0.64 0.93 -2.65 0.00 0.00 178.83 178.46 2kcq h GLU 73 N 1.08 1.05 -0.00 1.69 4.39 -0.28 -1.41 114.58 121.08 2kcq h GLU 73 Ca 0.32 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2kcq h GLU 73 Cb -0.06 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.35 2kcq h GLU 73 CO -0.09 0.69 -0.26 1.04 -1.16 0.00 0.00 179.01 179.23 2kcq n GLN 74 N -4.57 0.42 -1.41 2.33 6.02 -0.53 -4.92 117.38 114.73 2kcq n GLN 74 Ca 0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2kcq n GLN 74 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 1.39 0.66 1.20 1.08 0.00 -0.02 -5.07 105.19 104.43 2kcq n GLY 75 Ca 0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2kcq n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcq n LEU 76 N 0.00 0.00 -3.98 0.99 4.77 0.19 -4.94 117.00 114.03 2kcq n LEU 76 Ca 0.00 -1.05 -0.12 0.00 -0.03 0.00 0.00 56.01 54.81 2kcq n LEU 76 Cb 0.31 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2kcq n LEU 76 CO 0.00 -0.15 0.27 1.51 -1.33 0.00 0.00 177.39 177.70 2kcq s ASP 77 N -1.92 0.49 -0.45 -1.43 1.47 -0.92 -3.37 116.67 110.54 2kcq s ASP 77 Ca 0.00 -1.30 -0.29 0.00 1.18 0.00 0.00 52.55 52.15 2kcq s ASP 77 Cb 0.00 0.72 0.02 0.00 -0.34 0.00 0.00 42.92 43.32 2kcq s ASP 77 CO 0.00 -1.41 1.19 -0.69 0.68 0.00 0.00 175.17 174.95 2kcq s VAL 78 N -2.95 4.16 -0.11 2.11 1.01 -1.26 -1.79 120.40 121.57 2kcq s VAL 78 Ca 0.24 1.20 0.20 0.00 0.00 0.00 0.00 61.98 63.62 2kcq s VAL 78 Cb -0.02 -4.51 -0.29 0.00 0.00 0.00 0.00 36.38 31.56 2kcq s VAL 78 CO 0.16 -0.93 0.34 1.33 0.00 0.00 0.00 175.10 176.00 2kcq n VAL 79 N 6.83 0.64 -3.35 2.92 0.24 -0.26 -4.98 118.33 120.37 2kcq n VAL 79 Ca 0.13 -0.66 -0.01 0.00 -2.04 0.00 0.00 64.34 61.76 2kcq n VAL 79 Cb 0.49 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.47 1.45 3.13 7.63 0.00 -1.11 -3.27 105.19 114.49 2kcq n GLY 80 Ca -0.16 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.64 0.49 -0.01 1.61 1.01 0.56 0.03 120.40 121.46 2kcq s VAL 81 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.16 2kcq s VAL 81 Cb -0.00 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2kcq s VAL 81 CO 0.01 -0.91 0.00 -0.72 0.00 0.00 0.00 175.10 173.48 2kcq s TYR 82 N -3.67 0.10 -0.02 5.22 1.13 -0.92 -0.66 117.35 118.54 2kcq s TYR 82 Ca 0.09 0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.81 2kcq s TYR 82 Cb 0.06 -0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 2kcq s TYR 82 CO -0.07 -0.04 -0.14 -1.58 -2.51 0.00 0.00 175.55 171.21 2kcq s HIS 83 N 0.37 1.33 0.18 -3.49 2.46 -0.08 -3.25 115.29 112.81 2kcq s HIS 83 Ca -0.03 -0.29 0.05 0.00 0.47 0.00 0.00 55.06 55.26 2kcq s HIS 83 Cb -0.05 -0.88 -0.04 0.00 -0.13 0.00 0.00 32.58 31.48 2kcq s HIS 83 CO -0.01 -0.06 0.16 -1.12 -2.47 0.00 0.00 174.74 171.24 2kcq s SER 84 N -0.17 5.59 0.01 9.88 0.01 -1.26 -2.93 113.70 124.83 2kcq s SER 84 Ca 0.02 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.19 2kcq s SER 84 Cb -0.07 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 2kcq s SER 84 CO 0.00 0.05 -0.11 -1.00 0.41 0.00 0.00 173.24 172.59 2kcq s HIS 85 N -1.82 0.98 -0.70 2.43 3.76 -1.03 -4.97 115.29 113.94 2kcq s HIS 85 Ca 0.32 -0.27 0.26 0.00 -0.15 0.00 0.00 55.06 55.22 2kcq s HIS 85 Cb -0.10 -0.61 0.75 0.00 1.11 0.00 0.00 32.58 33.74 2kcq s HIS 85 CO 0.24 -0.00 1.75 -1.35 -0.85 0.00 0.00 174.74 174.53 2kcq h PRO 86 N 5.41 0.00 -0.37 8.40 0.11 -1.90 -2.27 132.00 141.39 2kcq h PRO 86 Ca -0.34 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.97 2kcq h PRO 86 Cb 1.18 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 2kcq h PRO 86 CO 0.47 0.00 -0.02 0.34 -0.21 0.00 0.00 178.00 178.58 2kcq s ASP 87 N -4.70 -0.57 -0.26 -2.05 2.15 -1.26 -3.38 116.67 106.60 2kcq s ASP 87 Ca 0.10 0.14 -0.29 0.00 0.43 0.00 0.00 52.55 52.93 2kcq s ASP 87 Cb 0.12 1.39 0.18 0.00 -0.30 0.00 0.00 42.92 44.31 2kcq s ASP 87 CO 0.61 -0.11 1.28 -1.00 -0.17 0.00 0.00 175.17 175.78 2kcq s HIS 88 N 2.94 -0.11 -1.24 -5.34 3.76 -1.26 -5.06 115.29 108.98 2kcq s HIS 88 Ca 0.18 0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.19 2kcq s HIS 88 Cb -0.05 0.48 -0.07 0.00 1.11 0.00 0.00 32.58 34.06 2kcq s HIS 88 CO -0.20 -0.10 2.44 -2.30 -0.85 0.00 0.00 174.74 173.73 2kcq n PRO 89 N 0.60 2.75 -2.51 8.40 -0.02 -1.26 -4.57 135.00 138.39 2kcq n PRO 89 Ca -0.03 -1.92 -0.08 0.00 -2.02 0.00 0.00 63.50 59.46 2kcq n PRO 89 Cb 0.59 -2.73 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 4.50 -0.88 -2.42 3.55 0.00 -1.26 -4.93 120.51 119.08 2kcq n ALA 90 Ca 0.59 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.87 2kcq n ALA 90 Cb 0.23 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -5.07 1.48 0.65 0.00 1.70 -1.26 -4.71 118.95 111.73 2kcq s ARG 91 Ca 0.02 -1.64 -0.15 0.00 -0.47 0.00 0.00 55.73 53.49 2kcq s ARG 91 Cb -0.01 -1.46 -0.01 0.00 -0.57 0.00 0.00 34.95 32.91 2kcq s ARG 91 CO 0.02 0.27 1.10 -1.25 -1.08 0.00 0.00 175.30 174.36 2kcq s PRO 92 N -3.42 2.90 0.54 3.89 0.04 -1.26 -4.98 135.00 132.71 2kcq s PRO 92 Ca 0.25 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.69 2kcq s PRO 92 Cb -0.04 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2kcq s PRO 92 CO 0.10 -1.17 0.43 -1.12 0.04 0.00 0.00 177.00 175.28 2kcq s SER 93 N -2.64 4.66 0.23 6.66 0.01 -1.26 -4.98 113.70 116.38 2kcq s SER 93 Ca 0.66 -1.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 2kcq s SER 93 Cb -0.20 0.40 0.35 0.00 0.21 0.00 0.00 66.02 66.78 2kcq s SER 93 CO 0.41 -1.12 1.78 0.00 0.41 0.00 0.00 173.24 174.73 2kcq h ALA 94 N 0.72 1.01 -0.75 1.44 0.00 -2.00 -1.48 119.26 118.21 2kcq h ALA 94 Ca -0.36 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 94 Cb 1.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2kcq h ALA 94 CO 0.56 -0.02 0.36 1.15 0.00 0.00 0.00 179.25 181.30 2kcq h THR 95 N 0.63 1.24 -0.78 0.00 2.02 -1.98 0.16 112.91 114.21 2kcq h THR 95 Ca 0.36 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2kcq h THR 95 Cb 0.37 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2kcq h THR 95 CO -0.26 0.28 0.37 0.44 0.37 0.00 0.00 175.52 176.72 2kcq h ASP 96 N 1.07 1.02 -0.27 4.18 3.32 -1.67 0.84 116.42 124.91 2kcq h ASP 96 Ca 0.26 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2kcq h ASP 96 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2kcq h ASP 96 CO -0.03 0.87 -0.14 0.25 -1.72 0.00 0.00 179.24 178.47 2kcq h LEU 97 N 1.10 0.60 -1.37 1.55 7.12 -1.01 -2.40 115.31 120.89 2kcq h LEU 97 Ca 0.27 -0.42 -0.04 0.00 0.13 0.00 0.00 57.88 57.82 2kcq h LEU 97 Cb 0.12 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2kcq h LEU 97 CO -0.03 0.88 -0.05 -0.33 -0.13 0.00 0.00 178.44 178.78 2kcq h GLU 98 N 0.31 0.36 -0.01 1.25 5.08 -0.56 -1.58 114.58 119.44 2kcq h GLU 98 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kcq h GLU 98 Cb 0.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kcq h GLU 98 CO 0.04 0.43 -0.11 0.39 -1.00 0.00 0.00 179.01 178.76 2kcq n GLU 99 N -4.30 1.20 -2.89 2.33 -0.58 0.25 -4.58 120.64 112.08 2kcq n GLU 99 Ca 0.00 -0.65 -0.44 0.00 -0.42 0.00 0.00 57.16 55.66 2kcq n GLU 99 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq n ALA 100 N -0.33 4.08 0.46 0.62 0.00 -0.59 -4.61 120.51 120.13 2kcq n ALA 100 Ca 0.16 -4.28 0.06 0.00 0.00 0.00 0.00 53.44 49.39 2kcq n ALA 100 Cb 0.33 -3.02 0.06 0.00 0.00 0.00 0.00 19.45 16.82 2kcq n ALA 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kcq n THR 101 N 4.35 0.06 -3.91 0.00 -1.04 -1.26 -4.83 114.28 107.65 2kcq n THR 101 Ca 0.37 -0.53 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 2kcq n THR 101 Cb 0.42 1.20 -0.13 0.00 -1.82 0.00 0.00 70.33 70.00 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2kcq s PHE 102 N -1.00 3.33 0.64 -1.42 -0.71 -1.26 -5.04 117.98 112.52 2kcq s PHE 102 Ca 0.15 -3.19 -0.14 0.00 -1.04 0.00 0.00 56.93 52.71 2kcq s PHE 102 Cb 0.10 -2.83 -0.02 0.00 -1.21 0.00 0.00 43.02 39.07 2kcq s PHE 102 CO 0.15 -0.69 1.06 -1.25 -1.34 0.00 0.00 175.22 173.15 2kcq s PRO 103 N -0.66 3.12 0.00 1.99 0.04 -1.26 -4.30 135.00 133.94 2kcq s PRO 103 Ca 0.20 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2kcq s PRO 103 Cb -0.19 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2kcq s PRO 103 CO -0.06 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2kcq n GLY 104 N -1.31 1.19 3.93 0.56 0.00 -1.26 -5.10 105.19 103.20 2kcq n GLY 104 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.36 3.45 -0.02 1.61 0.08 -1.26 -4.95 117.98 115.53 2kcq s PHE 105 Ca 0.00 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 2kcq s PHE 105 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2kcq s PHE 105 CO 0.00 0.52 0.49 0.99 -0.10 0.00 0.00 175.22 177.12 2kcq s THR 106 N -1.72 5.00 -0.35 0.64 2.01 -1.20 -4.54 115.64 115.47 2kcq s THR 106 Ca 0.34 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 63.26 2kcq s THR 106 Cb -0.11 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kcq s THR 106 CO 0.28 0.47 0.18 -0.31 -0.69 0.00 0.00 174.62 174.54 2kcq s TYR 107 N -0.39 3.23 -0.20 4.92 2.02 -0.25 -0.32 117.35 126.35 2kcq s TYR 107 Ca 0.27 -0.93 -0.14 0.00 -0.37 0.00 0.00 57.07 55.89 2kcq s TYR 107 Cb -0.17 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 2kcq s TYR 107 CO 0.14 -0.61 0.31 0.08 -1.57 0.00 0.00 175.55 173.90 2kcq s VAL 108 N 1.55 5.27 -0.16 0.71 1.01 0.17 0.55 120.40 129.49 2kcq s VAL 108 Ca 0.02 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2kcq s VAL 108 Cb -0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2kcq s VAL 108 CO 0.06 0.31 -0.11 -0.63 0.00 0.00 0.00 175.10 174.72 2kcq s ILE 109 N 1.06 3.05 -0.13 2.22 1.01 0.78 -0.90 121.20 128.29 2kcq s ILE 109 Ca 0.15 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2kcq s ILE 109 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2kcq s ILE 109 CO 0.06 0.50 -0.16 0.54 0.00 0.00 0.00 174.94 175.87 2kcq s VAL 110 N 0.79 2.71 -0.50 2.92 0.11 -1.15 -1.16 120.40 124.12 2kcq s VAL 110 Ca -0.04 -0.78 -0.23 0.00 -2.93 0.00 0.00 61.98 58.00 2kcq s VAL 110 Cb -0.15 -2.12 0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2kcq s VAL 110 CO 0.01 0.53 0.82 -0.44 -3.33 0.00 0.00 175.10 172.69 2kcq s SER 111 N 0.47 6.35 -0.23 3.54 0.01 0.85 -2.48 113.70 122.21 2kcq s SER 111 Ca -0.11 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2kcq s SER 111 Cb -0.16 -2.39 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kcq s SER 111 CO 0.05 -1.04 -0.14 -0.69 0.41 0.00 0.00 173.24 171.84 2kcq s VAL 112 N 3.45 2.04 -0.68 3.43 1.01 -0.85 0.44 120.40 129.24 2kcq s VAL 112 Ca 0.28 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 2kcq s VAL 112 Cb -0.13 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 34.34 2kcq s VAL 112 CO 0.20 0.18 0.71 -0.13 0.00 0.00 0.00 175.10 176.05 2kcq s ARG 113 N 1.21 3.25 -2.06 2.72 0.52 0.14 -3.77 118.95 120.96 2kcq s ARG 113 Ca -0.03 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 2kcq s ARG 113 Cb -0.17 -4.39 0.00 0.00 0.52 0.00 0.00 34.95 30.90 2kcq s ARG 113 CO -0.08 -1.43 0.00 -3.47 0.02 0.00 0.00 175.30 170.34 2kcq n ASP 114 N 5.35 -5.48 0.00 0.23 2.03 -1.22 -1.58 116.55 115.88 2kcq n ASP 114 Ca -0.00 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2kcq n ASP 114 Cb 0.44 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 2kcq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 115 N -0.60 1.56 3.40 0.27 0.00 -1.26 -4.96 105.19 103.61 2kcq n GLY 115 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.89 3.36 -0.10 4.61 0.00 -0.61 -4.70 121.76 122.43 2kcq s ALA 116 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 49.92 2kcq s ALA 116 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2kcq s ALA 116 CO 0.00 -1.44 1.30 -1.25 0.00 0.00 0.00 175.76 174.37 2kcq s PRO 117 N 1.60 4.27 0.00 0.00 0.04 -1.26 0.24 135.00 139.89 2kcq s PRO 117 Ca 0.03 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2kcq s PRO 117 Cb -0.19 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2kcq s PRO 117 CO 0.08 -0.63 0.00 -1.91 0.04 0.00 0.00 177.00 174.58 2kcq n GLU 118 N 6.11 0.00 -4.67 4.56 2.13 0.17 -4.97 120.64 123.97 2kcq n GLU 118 Ca 0.13 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.71 2kcq n GLU 118 Cb 0.45 -0.17 -0.15 0.00 0.27 0.00 0.00 31.44 31.84 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 -3.80 1.46 -0.03 4.31 0.00 -1.23 -4.98 121.76 117.49 2kcq s ALA 119 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2kcq s ALA 119 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2kcq s ALA 119 CO 0.00 0.33 -0.25 -0.51 0.00 0.00 0.00 175.76 175.33 2kcq s LEU 120 N -0.78 2.09 0.07 0.00 1.02 -1.26 -0.11 118.68 119.71 2kcq s LEU 120 Ca 0.06 -0.47 -0.13 0.00 0.02 0.00 0.00 54.13 53.60 2kcq s LEU 120 Cb -0.07 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.79 2kcq s LEU 120 CO 0.00 0.29 0.30 -0.89 0.02 0.00 0.00 176.35 176.08 2kcq s THR 121 N -0.46 0.09 -0.03 5.49 2.01 -0.31 -5.02 115.64 117.41 2kcq s THR 121 Ca 0.05 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2kcq s THR 121 Cb -0.11 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2kcq s THR 121 CO 0.01 -0.41 -0.10 0.00 -0.69 0.00 0.00 174.62 173.43 2kcq s ALA 122 N -2.99 2.87 -0.02 7.40 0.00 -1.26 -0.15 121.76 127.61 2kcq s ALA 122 Ca -0.02 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.01 2kcq s ALA 122 Cb 0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2kcq s ALA 122 CO -0.06 0.58 -0.17 -1.58 0.00 0.00 0.00 175.76 174.53 2kcq s TRP 123 N -0.86 1.58 -0.18 0.00 0.52 0.19 -1.21 118.94 118.98 2kcq s TRP 123 Ca 0.14 -0.34 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 2kcq s TRP 123 Cb -0.11 -1.03 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 2kcq s TRP 123 CO 0.03 -0.06 0.05 0.00 0.02 0.00 0.00 176.95 176.99 2kcq s ALA 124 N -0.28 3.36 0.13 0.98 0.00 0.54 -1.09 121.76 125.41 2kcq s ALA 124 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2kcq s ALA 124 Cb -0.08 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 2kcq s ALA 124 CO 0.00 0.19 0.96 -1.17 0.00 0.00 0.00 175.76 175.74 2kcq s LEU 125 N 0.35 4.52 0.41 0.00 2.96 -1.26 -0.33 118.68 125.32 2kcq s LEU 125 Ca 0.02 1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 55.49 2kcq s LEU 125 Cb -0.13 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2kcq s LEU 125 CO 0.00 -0.04 1.20 0.00 -1.32 0.00 0.00 176.35 176.20 2kcq n ALA 126 N 2.62 0.96 -0.15 5.97 0.00 0.12 -4.83 120.51 125.19 2kcq n ALA 126 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 2kcq n ALA 126 Cb 0.49 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.74 2kcq n ALA 126 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kcq n PRO 127 N 0.13 -0.10 -3.35 0.00 -0.02 -1.26 -1.60 135.00 128.81 2kcq n PRO 127 Ca 0.07 0.61 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 2kcq n PRO 127 Cb 0.39 -0.91 -0.08 0.00 -0.02 0.00 0.00 33.50 32.88 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 -4.58 2.75 -2.67 2.55 2.03 -1.26 -4.86 116.55 110.50 2kcq n ASP 128 Ca 0.04 -3.23 -0.20 0.00 0.52 0.00 0.00 54.79 51.91 2kcq n ASP 128 Cb 0.16 -0.66 0.01 0.00 -0.72 0.00 0.00 41.12 39.90 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 0.98 -2.95 -0.08 -0.67 1.74 -0.63 -4.87 116.66 110.18 2kcq n ARG 129 Ca 0.27 0.89 -0.16 0.00 -0.77 0.00 0.00 57.85 58.09 2kcq n ARG 129 Cb 0.45 -5.62 -0.11 0.00 -1.02 0.00 0.00 32.46 26.15 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 -0.53 0.00 -2.41 0.55 0.02 -1.92 -3.49 113.55 105.76 2kcq h SER 130 Ca -0.48 -0.67 0.09 0.00 -0.84 0.00 0.00 61.79 59.90 2kcq h SER 130 Cb 1.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 2kcq h SER 130 CO 0.55 1.17 0.44 -1.84 -1.14 0.00 0.00 176.83 176.01 2kcq n GLU 131 N -4.54 0.68 -4.30 3.45 0.28 -1.26 -4.99 120.64 109.96 2kcq n GLU 131 Ca -0.19 -1.47 -0.33 0.00 -0.16 0.00 0.00 57.16 55.02 2kcq n GLU 131 Cb 0.53 1.94 -0.09 0.00 1.43 0.00 0.00 31.44 35.24 2kcq n GLU 131 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2kcq s PHE 132 N -2.72 3.06 0.06 -1.84 0.08 -1.26 0.13 117.98 115.48 2kcq s PHE 132 Ca 0.18 0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.38 2kcq s PHE 132 Cb -0.03 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2kcq s PHE 132 CO 0.06 0.45 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.42 2kcq s HIS 133 N -1.07 1.79 0.25 0.36 3.76 0.55 -4.92 115.29 116.01 2kcq s HIS 133 Ca 0.19 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 2kcq s HIS 133 Cb -0.11 -1.05 -0.09 0.00 1.11 0.00 0.00 32.58 32.43 2kcq s HIS 133 CO 0.10 0.12 1.27 0.50 -0.85 0.00 0.00 174.74 175.88 2kcq s ARG 134 N -1.34 4.42 0.06 1.40 6.06 -1.26 -0.34 118.95 127.95 2kcq s ARG 134 Ca 0.07 2.06 0.04 0.00 -2.50 0.00 0.00 55.73 55.41 2kcq s ARG 134 Cb -0.09 -3.16 -0.03 0.00 0.06 0.00 0.00 34.95 31.74 2kcq s ARG 134 CO 0.02 -0.15 -0.13 -2.00 -2.50 0.00 0.00 175.30 170.54 2kcq s GLU 135 N -0.85 0.77 0.32 5.12 2.12 -0.35 -4.78 118.70 121.05 2kcq s GLU 135 Ca 0.52 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 2kcq s GLU 135 Cb -0.37 -0.74 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 2kcq s GLU 135 CO 0.43 0.16 0.55 -0.51 -0.54 0.00 0.00 175.26 175.35 2kcq s ASP 136 N -1.58 6.36 -0.37 -1.70 1.01 -1.26 -4.04 116.67 115.08 2kcq s ASP 136 Ca -0.03 0.57 -0.19 0.00 0.71 0.00 0.00 52.55 53.61 2kcq s ASP 136 Cb -0.09 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2kcq s ASP 136 CO 0.02 -0.25 0.55 -0.63 0.21 0.00 0.00 175.17 175.06 2kcq s ILE 137 N -2.21 4.97 0.12 0.77 1.09 -1.26 -4.58 121.20 120.09 2kcq s ILE 137 Ca 0.42 0.30 0.06 0.00 -1.10 0.00 0.00 60.65 60.33 2kcq s ILE 137 Cb -0.10 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 2kcq s ILE 137 CO 0.34 -0.31 -0.02 0.68 -0.10 0.00 0.00 174.94 175.53 2kcq s VAL 138 N 2.49 3.79 -0.11 2.92 -7.23 -1.11 -4.99 120.40 116.17 2kcq s VAL 138 Ca 0.20 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2kcq s VAL 138 Cb -0.15 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 2kcq s VAL 138 CO 0.14 0.05 0.02 -0.13 -0.31 0.00 0.00 175.10 174.87 2kcq s ARG 139 N -2.49 3.21 0.22 4.82 0.52 -1.26 -1.54 118.95 122.43 2kcq s ARG 139 Ca 0.25 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 2kcq s ARG 139 Cb -0.11 -2.89 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 2kcq s ARG 139 CO 0.17 0.61 1.29 -2.14 0.02 0.00 0.00 175.30 175.26 2kcq s PRO 140 N -0.63 4.41 -0.23 3.54 0.02 -1.26 -4.96 135.00 135.89 2kcq s PRO 140 Ca 0.10 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 62.91 2kcq s PRO 140 Cb -0.12 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2kcq s PRO 140 CO 0.02 -0.21 0.92 -0.51 -0.33 0.00 0.00 177.00 176.89 2kcq s ASP 141 N 0.15 6.96 -0.02 2.53 1.01 -1.26 -4.91 116.67 121.13 2kcq s ASP 141 Ca 0.55 1.20 0.00 0.00 0.71 0.00 0.00 52.55 55.01 2kcq s ASP 141 Cb -0.36 -2.48 0.04 0.00 1.01 0.00 0.00 42.92 41.12 2kcq s ASP 141 CO 0.40 -0.57 0.88 -0.81 0.21 0.00 0.00 175.17 175.28 2kcq n PRO 142 N 6.05 1.11 0.00 8.23 -0.04 -1.26 -3.14 135.00 145.95 2kcq n PRO 142 Ca 0.08 -0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2kcq n PRO 142 Cb 0.47 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.28 0.11 -2.67 0.54 1.02 -1.26 -4.99 120.64 113.68 2kcq n GLU 143 Ca 0.02 -0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 55.87 2kcq n GLU 143 Cb 0.47 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.60 3.24 0.28 0.62 0.00 -1.19 -5.00 121.76 119.11 2kcq s ALA 144 Ca 0.08 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 2kcq s ALA 144 Cb 0.06 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 2kcq s ALA 144 CO 0.09 -0.16 1.49 -1.25 0.00 0.00 0.00 175.76 175.92 2kcq s PRO 145 N 0.45 4.21 0.09 0.00 0.04 -1.26 -4.99 135.00 133.54 2kcq s PRO 145 Ca 0.50 2.41 -0.18 0.00 0.04 0.00 0.00 61.00 63.77 2kcq s PRO 145 Cb -0.24 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2kcq s PRO 145 CO 0.30 -0.48 0.56 -0.48 0.04 0.00 0.00 177.00 176.93 2kcq s LEU 146 N -0.64 4.48 0.00 -3.56 2.34 -1.26 -5.08 118.68 114.96 2kcq s LEU 146 Ca 0.59 1.20 -0.16 0.00 0.06 0.00 0.00 54.13 55.82 2kcq s LEU 146 Cb -0.44 -2.98 0.23 0.00 -0.56 0.00 0.00 46.19 42.44 2kcq s LEU 146 CO 0.47 0.23 1.04 -1.84 -1.06 0.00 0.00 176.35 175.20 2kcq n GLU 147 N 1.48 -1.99 -3.17 1.48 0.28 -1.26 -4.98 120.64 112.48 2kcq n GLU 147 Ca -0.09 -1.64 -0.46 0.00 -0.16 0.00 0.00 57.16 54.81 2kcq n GLU 147 Cb 0.51 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.07 2kcq n GLU 147 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kcq s HIS 148 N -3.10 3.59 0.36 -1.84 3.76 -1.26 -5.03 115.29 111.77 2kcq s HIS 148 Ca 0.63 -1.88 -0.23 0.00 -0.15 0.00 0.00 55.06 53.43 2kcq s HIS 148 Cb -0.04 -4.00 -0.10 0.00 1.11 0.00 0.00 32.58 29.55 2kcq s HIS 148 CO 0.46 -1.17 0.92 -1.58 -0.85 0.00 0.00 174.74 172.52 2kcq s HIS 149 N 0.93 3.52 -0.05 1.40 2.46 -1.26 -5.05 115.29 117.23 2kcq s HIS 149 Ca 0.26 1.66 -0.00 0.00 0.47 0.00 0.00 55.06 57.44 2kcq s HIS 149 Cb -0.08 -2.85 -0.03 0.00 -0.13 0.00 0.00 32.58 29.49 2kcq s HIS 149 CO -0.08 0.08 -0.01 -1.58 -2.47 0.00 0.00 174.74 170.67 2kcq s HIS 150 N -1.86 3.09 0.00 3.88 2.46 -1.26 -5.06 115.29 116.54 2kcq s HIS 150 Ca 0.55 0.12 0.00 0.00 0.47 0.00 0.00 55.06 56.20 2kcq s HIS 150 Cb -0.14 -1.73 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 2kcq s HIS 150 CO 0.19 0.44 0.00 0.72 -2.47 0.00 0.00 174.74 173.62 2kcq n HIS 151 N 1.91 0.00 0.00 3.88 8.25 -1.26 -4.94 115.22 123.07 2kcq n HIS 151 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2kcq n HIS 151 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2kcq n HIS 151 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcq n HIS 152 N -0.67 0.00 0.96 4.41 -0.00 -1.26 -5.32 115.22 113.35 2kcq n HIS 152 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2kcq n HIS 152 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 2kcq n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95