#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 3.61 0.32 2.12 3.01 -0.99 -1.06 119.74 126.76 2kcq s LYS 2 Ca 0.00 -0.52 -0.18 0.00 -1.01 0.00 0.00 55.97 54.26 2kcq s LYS 2 Cb 0.00 -3.12 0.03 0.00 -1.01 0.00 0.00 37.83 33.73 2kcq s LYS 2 CO 0.00 -0.04 0.73 -0.08 0.51 0.00 0.00 175.35 176.48 2kcq s THR 3 N 1.13 0.00 0.11 2.17 -1.32 -0.27 -2.09 115.64 115.37 2kcq s THR 3 Ca 0.03 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.50 2kcq s THR 3 Cb -0.14 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 2kcq s THR 3 CO 0.02 0.00 0.17 0.42 -2.21 0.00 0.00 174.62 173.02 2kcq s THR 4 N -3.23 4.94 0.56 5.08 -4.23 -1.26 -4.06 115.64 113.43 2kcq s THR 4 Ca 0.14 -0.71 0.24 0.00 -1.18 0.00 0.00 61.69 60.18 2kcq s THR 4 Cb -0.05 -3.46 0.34 0.00 1.34 0.00 0.00 72.50 70.67 2kcq s THR 4 CO 0.09 0.03 2.13 1.55 -0.54 0.00 0.00 174.62 177.88 2kcq h PRO 5 N 2.78 0.00 -0.59 3.99 0.13 -1.98 -0.75 132.00 135.59 2kcq h PRO 5 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2kcq h PRO 5 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2kcq h PRO 5 CO 0.69 0.00 0.32 0.22 -0.23 0.00 0.00 178.00 179.00 2kcq h ASP 6 N 0.00 0.48 0.04 1.44 3.58 -2.00 0.23 116.42 120.18 2kcq h ASP 6 Ca 0.07 0.03 -0.25 0.00 0.42 0.00 0.00 57.03 57.30 2kcq h ASP 6 Cb 0.32 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.32 2kcq h ASP 6 CO -0.00 0.32 -0.96 0.40 -2.88 0.00 0.00 179.24 176.12 2kcq h ILE 7 N 0.61 1.30 -0.37 2.25 1.08 -1.59 -3.20 117.51 117.60 2kcq h ILE 7 Ca 0.26 -2.22 0.04 0.00 -0.39 0.00 0.00 64.86 62.55 2kcq h ILE 7 Cb 0.14 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 2kcq h ILE 7 CO -0.16 0.68 0.14 -0.07 -0.69 0.00 0.00 178.15 178.05 2kcq h LEU 8 N 0.40 0.16 -0.84 1.44 3.38 -0.75 -1.53 115.31 117.56 2kcq h LEU 8 Ca -0.10 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2kcq h LEU 8 Cb 1.60 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2kcq h LEU 8 CO 0.19 0.13 0.08 -0.78 0.09 0.00 0.00 178.44 178.14 2kcq h ASP 9 N 0.29 0.90 -0.14 -0.43 3.58 -1.06 -1.31 116.42 118.25 2kcq h ASP 9 Ca 0.17 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.43 2kcq h ASP 9 Cb 0.13 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2kcq h ASP 9 CO -0.16 0.91 0.10 1.56 -2.88 0.00 0.00 179.24 178.77 2kcq h GLN 10 N 0.89 0.10 -0.50 0.28 4.20 -1.39 -0.66 115.11 118.02 2kcq h GLN 10 Ca 0.18 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2kcq h GLN 10 Cb 0.41 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2kcq h GLN 10 CO 0.01 0.07 0.09 0.82 -0.67 0.00 0.00 178.83 179.15 2kcq h ILE 11 N 0.11 1.25 -0.75 2.54 2.04 -0.25 -2.57 117.51 119.87 2kcq h ILE 11 Ca 0.06 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 2kcq h ILE 11 Cb 0.11 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2kcq h ILE 11 CO -0.01 0.33 0.30 0.03 0.00 0.00 0.00 178.15 178.80 2kcq h ARG 12 N 0.71 1.13 -0.58 2.37 3.08 -0.89 -2.76 114.38 117.43 2kcq h ARG 12 Ca 0.15 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 60.05 2kcq h ARG 12 Cb 0.39 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2kcq h ARG 12 CO 0.01 0.92 0.30 0.28 -1.07 0.00 0.00 179.97 180.41 2kcq h VAL 13 N 1.09 0.94 -0.86 2.04 2.07 -1.05 -1.96 116.25 118.51 2kcq h VAL 13 Ca 0.25 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2kcq h VAL 13 Cb 0.21 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2kcq h VAL 13 CO -0.02 0.10 0.56 0.45 0.02 0.00 0.00 177.57 178.68 2kcq h HIS 14 N 0.57 1.03 -0.10 1.57 3.86 -1.17 0.14 115.15 121.04 2kcq h HIS 14 Ca 0.26 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2kcq h HIS 14 Cb 0.18 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 2kcq h HIS 14 CO -0.10 0.60 -0.01 0.78 0.86 0.00 0.00 177.93 180.06 2kcq h GLY 15 N 1.07 0.20 2.00 2.45 0.00 -1.24 -1.48 103.07 106.06 2kcq h GLY 15 Ca 0.34 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 2kcq h GLY 15 CO -0.10 0.14 -0.57 0.00 0.00 0.00 0.00 176.54 176.01 2kcq h ALA 16 N 0.72 0.97 -0.12 3.60 0.00 -1.14 -2.26 119.26 121.03 2kcq h ALA 16 Ca 0.03 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2kcq h ALA 16 Cb 0.38 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kcq h ALA 16 CO 0.01 0.71 -0.79 0.22 0.00 0.00 0.00 179.25 179.40 2kcq h ASP 17 N 0.00 0.80 0.85 0.00 3.58 -0.67 -3.31 116.42 117.66 2kcq h ASP 17 Ca -0.01 -0.54 -0.23 0.00 0.42 0.00 0.00 57.03 56.68 2kcq h ASP 17 Cb 1.07 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 2kcq h ASP 17 CO 0.07 1.32 -1.23 0.00 -2.88 0.00 0.00 179.24 176.52 2kcq h ALA 18 N 0.66 0.55 -1.59 -0.78 0.00 -1.23 -3.47 119.26 113.40 2kcq h ALA 18 Ca -0.05 -1.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.14 2kcq h ALA 18 Cb 1.41 0.11 0.09 0.00 0.00 0.00 0.00 17.79 19.39 2kcq h ALA 18 CO 0.15 1.28 0.09 0.98 0.00 0.00 0.00 179.25 181.76 2kcq n TYR 19 N -3.20 0.93 1.27 0.00 9.36 -0.85 -1.36 117.16 123.31 2kcq n TYR 19 Ca -0.06 0.77 0.13 0.00 3.32 0.00 0.00 57.90 62.06 2kcq n TYR 19 Cb 0.95 -2.20 0.37 0.00 -0.63 0.00 0.00 39.34 37.83 2kcq n TYR 19 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2kcq n PRO 20 N 1.44 1.09 -1.33 2.98 -0.04 -1.26 -5.05 135.00 132.83 2kcq n PRO 20 Ca 0.15 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.63 2kcq n PRO 20 Cb 0.24 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kcq s GLU 21 N -2.38 1.76 -0.71 0.54 -1.05 -0.46 -4.91 118.70 111.49 2kcq s GLU 21 Ca 0.27 0.84 -0.26 0.00 -0.15 0.00 0.00 54.97 55.66 2kcq s GLU 21 Cb 0.20 -1.87 0.00 0.00 -0.44 0.00 0.00 34.13 32.02 2kcq s GLU 21 CO 0.48 -1.90 1.58 -1.21 0.95 0.00 0.00 175.26 175.16 2kcq s GLU 22 N -5.00 2.93 -0.35 -4.83 8.01 -1.26 -4.80 118.70 113.40 2kcq s GLU 22 Ca 0.62 0.07 0.08 0.00 0.01 0.00 0.00 54.97 55.75 2kcq s GLU 22 Cb -0.17 -4.40 0.63 0.00 -4.31 0.00 0.00 34.13 25.88 2kcq s GLU 22 CO 0.56 -2.48 1.71 0.41 0.01 0.00 0.00 175.26 175.47 2kcq n GLY 23 N 5.70 4.40 3.77 -1.39 0.00 -1.26 -4.97 105.19 111.43 2kcq n GLY 23 Ca 0.15 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2kcq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq n GLY 25 N -2.14 1.70 3.57 0.00 0.00 -0.21 0.00 105.19 108.11 2kcq n GLY 25 Ca 0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.25 2.59 -0.27 1.61 0.08 0.15 -0.55 117.98 119.34 2kcq s PHE 26 Ca 0.00 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 56.64 2kcq s PHE 26 Cb 0.00 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2kcq s PHE 26 CO 0.00 0.56 0.45 -0.51 -0.10 0.00 0.00 175.22 175.62 2kcq s LEU 27 N -3.12 4.06 -0.13 -0.37 1.43 0.10 -2.07 118.68 118.58 2kcq s LEU 27 Ca 0.27 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 2kcq s LEU 27 Cb -0.08 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kcq s LEU 27 CO 0.16 -0.25 0.05 -0.76 0.23 0.00 0.00 176.35 175.78 2kcq s LEU 28 N 2.20 3.79 0.00 1.79 1.43 -0.09 -0.38 118.68 127.41 2kcq s LEU 28 Ca 0.18 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2kcq s LEU 28 Cb -0.16 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 28 CO 0.10 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.58 2kcq n GLY 29 N 2.76 1.32 3.12 -3.19 0.00 -0.34 -0.28 105.19 108.57 2kcq n GLY 29 Ca -0.18 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.01 0.68 -0.28 2.61 -4.23 -0.58 -0.64 115.64 112.20 2kcq s THR 30 Ca 0.00 -1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 2kcq s THR 30 Cb 0.00 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 2kcq s THR 30 CO 0.00 -0.53 0.59 -0.69 -0.54 0.00 0.00 174.62 173.45 2kcq s VAL 31 N -2.13 4.99 0.89 2.29 1.01 -1.26 -1.63 120.40 124.56 2kcq s VAL 31 Ca -0.01 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 2kcq s VAL 31 Cb -0.05 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.54 2kcq s VAL 31 CO -0.01 -0.02 1.23 0.42 0.00 0.00 0.00 175.10 176.72 2kcq s THR 32 N 2.48 1.99 -0.15 3.92 -4.23 -1.12 -4.90 115.64 113.63 2kcq s THR 32 Ca 0.24 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.02 2kcq s THR 32 Cb -0.15 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.01 2kcq s THR 32 CO 0.10 0.00 1.83 -0.78 -0.54 0.00 0.00 174.62 175.23 2kcq h ASP 33 N -1.37 0.00 0.28 3.99 3.58 -1.92 -0.92 116.42 120.06 2kcq h ASP 33 Ca -0.46 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.92 2kcq h ASP 33 Cb 1.29 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2kcq h ASP 33 CO 0.54 0.00 -0.33 0.44 -2.88 0.00 0.00 179.24 177.01 2kcq h ASP 34 N 0.00 0.08 0.00 2.28 5.19 -1.97 -3.46 116.42 118.54 2kcq h ASP 34 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2kcq h ASP 34 Cb 0.23 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2kcq h ASP 34 CO 0.00 0.41 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 2kcq n GLY 35 N -0.51 0.83 3.99 2.75 0.00 -0.35 -5.08 105.19 106.82 2kcq n GLY 35 Ca -0.02 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2kcq n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kcq s ASP 36 N -2.10 5.65 -0.41 1.61 -1.08 -1.26 -4.93 116.67 114.16 2kcq s ASP 36 Ca 0.00 -0.41 -0.13 0.00 -0.52 0.00 0.00 52.55 51.49 2kcq s ASP 36 Cb 0.00 -0.75 0.04 0.00 -1.46 0.00 0.00 42.92 40.75 2kcq s ASP 36 CO 0.00 -0.69 0.27 0.20 0.52 0.00 0.00 175.17 175.47 2kcq s ASN 37 N -4.30 5.90 -0.42 -0.34 -0.87 -1.26 -2.78 114.94 110.88 2kcq s ASN 37 Ca 0.53 -1.11 -0.17 0.00 -1.57 0.00 0.00 52.86 50.53 2kcq s ASN 37 Cb -0.09 -2.08 0.02 0.00 -0.02 0.00 0.00 41.25 39.07 2kcq s ASN 37 CO 0.32 -0.47 0.45 -0.60 -2.57 0.00 0.00 177.10 174.23 2kcq s ARG 38 N 1.58 3.14 -0.16 -0.60 3.52 -0.65 -2.35 118.95 123.44 2kcq s ARG 38 Ca 0.03 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 54.68 2kcq s ARG 38 Cb -0.21 -3.96 -0.02 0.00 -1.56 0.00 0.00 34.95 29.21 2kcq s ARG 38 CO 0.07 -0.84 0.79 0.08 -0.81 0.00 0.00 175.30 174.58 2kcq s VAL 39 N 2.18 4.92 0.00 7.11 1.01 -0.89 -1.52 120.40 133.21 2kcq s VAL 39 Ca 0.13 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2kcq s VAL 39 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2kcq s VAL 39 CO 0.14 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.30 2kcq n ALA 40 N 5.06 1.79 -2.57 5.51 0.00 0.03 -4.53 120.51 125.80 2kcq n ALA 40 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2kcq n ALA 40 Cb 0.49 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 2kcq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcq s ALA 41 N -1.79 0.32 -0.13 0.00 0.00 0.61 -5.00 121.76 115.77 2kcq s ALA 41 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2kcq s ALA 41 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2kcq s ALA 41 CO 0.00 -0.25 -0.21 -0.51 0.00 0.00 0.00 175.76 174.79 2kcq s LEU 42 N -2.14 2.22 -0.14 0.00 1.43 -1.26 -0.92 118.68 117.87 2kcq s LEU 42 Ca -0.05 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2kcq s LEU 42 Cb -0.02 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.75 2kcq s LEU 42 CO -0.05 0.12 -0.16 -2.28 0.23 0.00 0.00 176.35 174.21 2kcq s HIS 43 N 0.59 2.27 0.27 0.29 2.46 -0.88 -4.97 115.29 115.31 2kcq s HIS 43 Ca -0.12 -1.24 -0.29 0.00 0.47 0.00 0.00 55.06 53.88 2kcq s HIS 43 Cb -0.16 -1.63 -0.09 0.00 -0.13 0.00 0.00 32.58 30.56 2kcq s HIS 43 CO 0.03 -0.65 1.13 0.50 -2.47 0.00 0.00 174.74 173.29 2kcq s ARG 44 N 1.29 4.59 -1.24 2.88 3.52 -1.26 0.29 118.95 129.02 2kcq s ARG 44 Ca 0.01 1.86 -0.10 0.00 -0.13 0.00 0.00 55.73 57.37 2kcq s ARG 44 Cb -0.14 -3.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.00 2kcq s ARG 44 CO -0.08 0.13 2.43 0.00 -0.81 0.00 0.00 175.30 176.97 2kcq n ALA 45 N 1.34 5.76 -3.47 6.12 0.00 0.10 -4.75 120.51 125.62 2kcq n ALA 45 Ca -0.00 -2.96 -0.14 0.00 0.00 0.00 0.00 53.44 50.33 2kcq n ALA 45 Cb 0.44 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.53 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 3.08 0.01 0.51 0.00 2.01 -1.26 -4.94 115.64 115.04 2kcq s THR 46 Ca 0.54 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 2kcq s THR 46 Cb 0.14 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.77 2kcq s THR 46 CO -0.03 -0.02 1.31 0.54 -0.69 0.00 0.00 174.62 175.72 2kcq s ASN 47 N -0.10 5.59 -0.45 3.53 2.20 -1.26 -4.95 114.94 119.50 2kcq s ASN 47 Ca -0.03 2.65 -0.14 0.00 -0.94 0.00 0.00 52.86 54.39 2kcq s ASN 47 Cb -0.03 -2.63 0.06 0.00 -2.00 0.00 0.00 41.25 36.65 2kcq s ASN 47 CO 0.03 -1.34 0.35 -0.60 -2.94 0.00 0.00 177.10 172.59 2kcq s ARG 48 N -2.79 2.91 -0.49 3.55 3.00 -1.26 -5.02 118.95 118.85 2kcq s ARG 48 Ca 0.68 -1.30 -0.27 0.00 -1.00 0.00 0.00 55.73 53.84 2kcq s ARG 48 Cb -0.37 -4.03 -0.02 0.00 0.00 0.00 0.00 34.95 30.53 2kcq s ARG 48 CO 0.45 -0.95 1.80 1.03 0.00 0.00 0.00 175.30 177.63 2kcq s ARG 49 N 1.61 2.98 0.10 5.12 0.52 -1.26 -4.90 118.95 123.12 2kcq s ARG 49 Ca 0.04 0.96 -0.25 0.00 -0.52 0.00 0.00 55.73 55.95 2kcq s ARG 49 Cb -0.23 -4.28 0.08 0.00 0.52 0.00 0.00 34.95 31.04 2kcq s ARG 49 CO 0.06 -2.30 0.75 0.45 0.02 0.00 0.00 175.30 174.29 2kcq s SER 50 N 6.99 -0.43 0.08 0.23 0.15 -1.26 -5.14 113.70 114.31 2kcq s SER 50 Ca 0.72 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 57.06 2kcq s SER 50 Cb -0.16 0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2kcq s SER 50 CO 0.27 -0.86 0.66 -1.61 1.20 0.00 0.00 173.24 172.90 2kcq s GLU 51 N -3.48 4.37 0.21 5.44 2.02 -1.26 -5.02 118.70 120.98 2kcq s GLU 51 Ca 0.04 0.90 -0.31 0.00 0.02 0.00 0.00 54.97 55.63 2kcq s GLU 51 Cb -0.01 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.83 2kcq s GLU 51 CO -0.09 0.51 1.51 1.14 0.02 0.00 0.00 175.26 178.35 2kcq s GLN 52 N -0.75 4.23 -1.52 1.61 -2.07 -1.26 -4.87 119.66 115.04 2kcq s GLN 52 Ca 0.33 2.34 -0.09 0.00 -1.82 0.00 0.00 55.36 56.12 2kcq s GLN 52 Cb -0.20 -3.13 -0.05 0.00 -1.09 0.00 0.00 33.01 28.53 2kcq s GLN 52 CO 0.21 -0.52 2.87 -2.13 -1.32 0.00 0.00 175.29 174.40 2kcq n ARG 53 N 3.18 3.82 -2.21 9.60 3.00 -1.26 -4.72 116.66 128.08 2kcq n ARG 53 Ca 0.10 -2.41 -0.02 0.00 -0.00 0.00 0.00 57.85 55.52 2kcq n ARG 53 Cb 0.39 -2.74 -0.02 0.00 0.00 0.00 0.00 32.46 30.10 2kcq n ARG 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2kcq n THR 54 N 3.17-11.28 -2.50 5.15 -1.04 -1.26 -4.86 114.28 101.66 2kcq n THR 54 Ca 0.75 2.48 -0.05 0.00 -2.04 0.00 0.00 64.05 65.18 2kcq n THR 54 Cb 0.26 -5.72 0.01 0.00 -1.82 0.00 0.00 70.33 63.05 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 1.45 -1.93 -3.73 -2.82 5.12 -1.26 -5.08 116.66 108.42 2kcq n ARG 55 Ca -0.14 1.81 -0.13 0.00 -1.93 0.00 0.00 57.85 57.46 2kcq n ARG 55 Cb 0.21 -4.59 -0.10 0.00 -1.16 0.00 0.00 32.46 26.82 2kcq n ARG 55 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2kcq s ARG 56 N -2.05 0.50 -0.02 5.56 3.52 -1.26 -5.07 118.95 120.13 2kcq s ARG 56 Ca 0.16 0.60 -0.25 0.00 -0.13 0.00 0.00 55.73 56.10 2kcq s ARG 56 Cb -0.04 0.24 -0.20 0.00 -1.56 0.00 0.00 34.95 33.39 2kcq s ARG 56 CO 0.58 -0.06 1.21 1.88 -0.81 0.00 0.00 175.30 178.10 2kcq h TYR 57 N 5.48 -0.06 -6.20 5.12 0.05 -1.98 -3.48 116.97 115.91 2kcq h TYR 57 Ca -0.27 -0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.07 2kcq h TYR 57 Cb 1.18 0.02 0.03 0.00 1.01 0.00 0.00 36.73 38.97 2kcq h TYR 57 CO 0.40 0.42 -0.86 -1.91 -1.05 0.00 0.00 178.16 175.15 2kcq n GLU 58 N -4.89 -3.84 -2.13 4.88 4.07 -1.26 -4.84 120.64 112.64 2kcq n GLU 58 Ca -0.08 0.55 -0.39 0.00 -0.06 0.00 0.00 57.16 57.17 2kcq n GLU 58 Cb 0.26 -4.87 -0.03 0.00 -0.06 0.00 0.00 31.44 26.74 2kcq n GLU 58 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2kcq s LEU 59 N -6.68 3.29 -1.33 4.31 0.20 -1.26 -4.89 118.68 112.32 2kcq s LEU 59 Ca 0.08 0.28 -0.11 0.00 0.69 0.00 0.00 54.13 55.07 2kcq s LEU 59 Cb -0.03 -2.62 0.13 0.00 -0.43 0.00 0.00 46.19 43.24 2kcq s LEU 59 CO 0.84 -2.23 1.96 0.35 -0.29 0.00 0.00 176.35 176.98 2kcq n THR 60 N 7.09 4.06 0.00 3.68 -2.24 -1.26 -4.24 114.28 121.37 2kcq n THR 60 Ca 0.18 -3.98 0.00 0.00 -2.27 0.00 0.00 64.05 57.98 2kcq n THR 60 Cb 0.51 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcq n ALA 61 N 4.73 1.99 -1.16 6.98 0.00 -1.26 -5.01 120.51 126.77 2kcq n ALA 61 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2kcq n ALA 61 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2kcq n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kcq n ASP 62 N -1.43 -4.63 -1.69 0.00 9.92 -1.26 -4.98 116.55 112.48 2kcq n ASP 62 Ca 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2kcq n ASP 62 Cb 0.00 -2.62 0.00 0.00 -0.64 0.00 0.00 41.12 37.86 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kcq n ASP 63 N -0.31 0.19 -0.36 -2.24 5.75 -1.26 -4.75 116.55 113.58 2kcq n ASP 63 Ca -0.06 -0.84 0.02 0.00 -0.01 0.00 0.00 54.79 53.90 2kcq n ASP 63 Cb 0.34 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.60 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2kcq h TYR 64 N 0.08 1.17 -0.89 2.11 3.20 -2.00 -2.44 116.97 118.21 2kcq h TYR 64 Ca 0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2kcq h TYR 64 Cb 0.00 -0.38 -0.06 0.00 1.54 0.00 0.00 36.73 37.82 2kcq h TYR 64 CO 0.00 0.61 0.57 0.00 -1.64 0.00 0.00 178.16 177.70 2kcq h ARG 65 N 1.15 0.86 -0.44 1.82 3.08 -1.97 0.46 114.38 119.34 2kcq h ARG 65 Ca 0.42 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.28 2kcq h ARG 65 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kcq h ARG 65 CO -0.17 0.57 -0.26 0.00 -1.07 0.00 0.00 179.97 179.04 2kcq h ALA 66 N 1.55 0.69 -0.38 0.04 0.00 -1.68 0.21 119.26 119.71 2kcq h ALA 66 Ca 0.41 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kcq h ALA 66 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kcq h ALA 66 CO -0.17 0.67 -0.38 0.00 0.00 0.00 0.00 179.25 179.37 2kcq h ALA 67 N 0.89 0.60 -0.34 0.00 0.00 -1.10 -2.73 119.26 116.57 2kcq h ALA 67 Ca 0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kcq h ALA 67 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kcq h ALA 67 CO 0.07 0.68 0.00 0.22 0.00 0.00 0.00 179.25 180.22 2kcq h ASP 68 N 0.75 0.59 0.35 0.00 3.58 0.05 -1.51 116.42 120.23 2kcq h ASP 68 Ca 0.06 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2kcq h ASP 68 Cb 0.97 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kcq h ASP 68 CO 0.09 0.75 -0.17 0.00 -2.88 0.00 0.00 179.24 177.04 2kcq h ALA 69 N 0.86 -0.48 -0.37 -0.78 0.00 -0.59 -0.39 119.26 117.52 2kcq h ALA 69 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kcq h ALA 69 Cb 0.45 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kcq h ALA 69 CO 0.02 -0.75 0.08 0.00 0.00 0.00 0.00 179.25 178.60 2kcq h ALA 70 N 0.12 1.44 -0.09 0.00 0.00 -1.50 0.21 119.26 119.43 2kcq h ALA 70 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kcq h ALA 70 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kcq h ALA 70 CO 0.08 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.78 2kcq h ALA 71 N 1.55 0.12 -0.13 0.00 0.00 -1.02 -1.72 119.26 118.06 2kcq h ALA 71 Ca 0.13 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2kcq h ALA 71 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kcq h ALA 71 CO -0.00 -0.31 -0.32 1.96 0.00 0.00 0.00 179.25 180.58 2kcq h GLN 72 N 0.02 0.26 -0.89 0.00 1.08 -0.37 0.44 115.11 115.64 2kcq h GLN 72 Ca 0.03 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2kcq h GLN 72 Cb 0.14 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2kcq h GLN 72 CO -0.00 0.56 0.53 0.93 -0.95 0.00 0.00 178.83 179.89 2kcq h GLU 73 N 0.23 1.21 0.00 1.46 5.08 -0.43 -2.88 114.58 119.25 2kcq h GLU 73 Ca 0.03 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 2kcq h GLU 73 Cb 0.68 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2kcq h GLU 73 CO 0.05 0.86 -1.19 1.96 -1.00 0.00 0.00 179.01 179.69 2kcq h GLN 74 N 1.23 0.00 0.00 2.33 4.20 -0.71 -3.48 115.11 118.68 2kcq h GLN 74 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2kcq h GLN 74 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2kcq h GLN 74 CO -0.06 0.86 0.00 0.41 -0.67 0.00 0.00 178.83 179.38 2kcq n GLY 75 N 1.40 1.70 3.59 3.46 0.00 0.11 -5.10 105.19 110.36 2kcq n GLY 75 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2kcq n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcq s LEU 76 N 0.00 2.12 0.33 0.99 1.43 0.11 -4.97 118.68 118.69 2kcq s LEU 76 Ca 0.00 -1.65 0.04 0.00 -1.03 0.00 0.00 54.13 51.48 2kcq s LEU 76 Cb 0.00 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 2kcq s LEU 76 CO 0.00 -0.88 0.15 1.51 0.23 0.00 0.00 176.35 177.36 2kcq s ASP 77 N -3.69 1.81 -0.60 2.29 -4.77 0.18 -3.31 116.67 108.58 2kcq s ASP 77 Ca 0.19 -1.58 -0.25 0.00 -3.30 0.00 0.00 52.55 47.61 2kcq s ASP 77 Cb 0.03 0.39 0.04 0.00 -1.09 0.00 0.00 42.92 42.29 2kcq s ASP 77 CO 0.11 -0.89 1.02 -0.69 0.70 0.00 0.00 175.17 175.43 2kcq s VAL 78 N -3.51 4.24 -2.45 2.11 1.01 -1.26 -1.20 120.40 119.33 2kcq s VAL 78 Ca 0.34 0.24 0.23 0.00 0.00 0.00 0.00 61.98 62.79 2kcq s VAL 78 Cb 0.05 -4.65 0.42 0.00 0.00 0.00 0.00 36.38 32.20 2kcq s VAL 78 CO 0.17 -1.32 1.39 1.33 0.00 0.00 0.00 175.10 176.68 2kcq n VAL 79 N 6.22 0.50 -2.75 2.92 0.24 0.49 -4.98 118.33 120.97 2kcq n VAL 79 Ca 0.02 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2kcq n VAL 79 Cb 0.47 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 1.49 -1.46 3.01 7.63 0.00 -1.16 -3.04 105.19 111.65 2kcq n GLY 80 Ca 0.19 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.79 0.24 -0.01 1.61 1.01 0.40 0.03 120.40 120.89 2kcq s VAL 81 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2kcq s VAL 81 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2kcq s VAL 81 CO 0.00 -0.51 -0.03 -0.72 0.00 0.00 0.00 175.10 173.84 2kcq s TYR 82 N -1.65 0.38 -0.11 5.22 1.13 0.29 -0.03 117.35 122.58 2kcq s TYR 82 Ca -0.12 -0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 55.39 2kcq s TYR 82 Cb -0.08 -0.31 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 2kcq s TYR 82 CO -0.01 -0.05 0.29 -3.38 -2.51 0.00 0.00 175.55 169.88 2kcq s HIS 83 N 0.26 -0.34 -0.10 -3.49 -3.43 -0.28 -1.05 115.29 106.86 2kcq s HIS 83 Ca -0.02 0.81 -0.02 0.00 -0.80 0.00 0.00 55.06 55.02 2kcq s HIS 83 Cb -0.06 0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 2kcq s HIS 83 CO -0.00 -0.18 0.00 -1.12 -2.00 0.00 0.00 174.74 171.44 2kcq s SER 84 N 0.49 5.25 -0.25 7.38 0.01 -1.26 -3.28 113.70 122.03 2kcq s SER 84 Ca -0.03 0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 2kcq s SER 84 Cb -0.04 -1.54 0.11 0.00 0.21 0.00 0.00 66.02 64.76 2kcq s SER 84 CO -0.03 0.35 0.98 -1.38 0.41 0.00 0.00 173.24 173.57 2kcq s HIS 85 N -0.69 -0.50 -0.32 2.43 -3.43 -1.24 -4.92 115.29 106.62 2kcq s HIS 85 Ca 0.11 1.16 -0.22 0.00 -0.80 0.00 0.00 55.06 55.31 2kcq s HIS 85 Cb -0.12 0.37 -0.00 0.00 -1.43 0.00 0.00 32.58 31.40 2kcq s HIS 85 CO 0.02 -0.28 0.70 -1.25 -2.00 0.00 0.00 174.74 171.93 2kcq s PRO 86 N -0.04 3.86 0.19 -0.38 0.05 -1.25 -4.38 135.00 133.04 2kcq s PRO 86 Ca 0.01 0.34 0.00 0.00 0.05 0.00 0.00 61.00 61.41 2kcq s PRO 86 Cb -0.04 -3.75 0.00 0.00 0.05 0.00 0.00 34.50 30.76 2kcq s PRO 86 CO -0.03 -0.67 0.00 -3.47 0.05 0.00 0.00 177.00 172.87 2kcq n ASP 87 N 6.09 -1.68 -3.99 6.66 -0.08 -1.26 -5.11 116.55 117.17 2kcq n ASP 87 Ca 0.01 0.43 -0.09 0.00 -1.51 0.00 0.00 54.79 53.64 2kcq n ASP 87 Cb 0.48 1.80 -0.10 0.00 2.34 0.00 0.00 41.12 45.64 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 -2.00 0.32 -1.05 -0.67 3.76 -1.26 -5.07 115.29 109.31 2kcq s HIS 88 Ca 0.00 -0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 53.99 2kcq s HIS 88 Cb 0.00 -0.23 -0.10 0.00 1.11 0.00 0.00 32.58 33.35 2kcq s HIS 88 CO 0.00 -0.31 2.01 -1.25 -0.85 0.00 0.00 174.74 174.34 2kcq s PRO 89 N -2.61 2.22 -1.94 8.40 0.04 -1.26 -3.66 135.00 136.19 2kcq s PRO 89 Ca -0.05 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.34 2kcq s PRO 89 Cb -0.01 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2kcq s PRO 89 CO -0.05 -4.10 0.00 0.00 0.04 0.00 0.00 177.00 172.89 2kcq n ALA 90 N 15.52 -0.41 -2.54 8.56 0.00 -1.26 -4.96 120.51 135.42 2kcq n ALA 90 Ca 0.43 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.93 2kcq n ALA 90 Cb 0.46 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 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 -4.09 1.08 0.77 0.00 1.04 -1.24 -4.85 118.95 111.66 2kcq s ARG 91 Ca 0.00 -1.20 -0.15 0.00 -1.04 0.00 0.00 55.73 53.34 2kcq s ARG 91 Cb 0.00 -1.16 0.02 0.00 -2.04 0.00 0.00 34.95 31.77 2kcq s ARG 91 CO 0.00 0.25 0.89 -0.35 -0.04 0.00 0.00 175.30 176.05 2kcq n PRO 92 N 0.81 0.28 -2.05 3.89 -0.04 -1.26 -4.49 135.00 132.14 2kcq n PRO 92 Ca -0.17 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 2kcq n PRO 92 Cb 0.55 -2.17 0.05 0.00 -0.04 0.00 0.00 33.50 31.90 2kcq n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kcq n SER 93 N -1.83 1.11 -0.24 3.54 2.88 -1.26 -4.92 113.62 112.91 2kcq n SER 93 Ca 0.12 -1.84 -0.06 0.00 -1.33 0.00 0.00 58.87 55.76 2kcq n SER 93 Cb 0.50 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.02 0.84 -0.89 -1.46 0.00 -2.00 -2.20 119.26 113.54 2kcq h ALA 94 Ca -0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kcq h ALA 94 Cb 0.75 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2kcq h ALA 94 CO 0.23 0.29 0.50 1.15 0.00 0.00 0.00 179.25 181.42 2kcq h THR 95 N 0.90 1.25 -0.67 0.00 2.02 -1.98 0.45 112.91 114.89 2kcq h THR 95 Ca 0.24 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.83 2kcq h THR 95 Cb -0.06 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 2kcq h THR 95 CO -0.05 0.28 0.44 0.44 0.37 0.00 0.00 175.52 177.00 2kcq h ASP 96 N 1.23 0.75 -0.30 4.18 5.19 -1.81 -1.13 116.42 124.53 2kcq h ASP 96 Ca 0.31 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.66 2kcq h ASP 96 Cb -0.00 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 2kcq h ASP 96 CO -0.05 0.54 -0.01 0.25 -3.12 0.00 0.00 179.24 176.85 2kcq h LEU 97 N 0.89 0.53 -1.08 1.55 7.12 -0.82 -2.74 115.31 120.76 2kcq h LEU 97 Ca 0.25 -0.31 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2kcq h LEU 97 Cb -0.08 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 39.86 2kcq h LEU 97 CO -0.06 0.72 0.56 -0.33 -0.13 0.00 0.00 178.44 179.19 2kcq h GLU 98 N 0.33 1.18 -0.31 1.25 5.08 -0.46 -3.05 114.58 118.61 2kcq h GLU 98 Ca 0.08 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kcq h GLU 98 Cb 0.45 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kcq h GLU 98 CO 0.02 0.81 0.01 0.39 -1.00 0.00 0.00 179.01 179.23 2kcq n GLU 99 N -4.38 3.07 -3.64 2.33 1.02 -0.47 -4.84 120.64 113.73 2kcq n GLU 99 Ca 0.10 -2.90 -0.39 0.00 -0.02 0.00 0.00 57.16 53.94 2kcq n GLU 99 Cb 0.04 -1.90 -0.10 0.00 -0.02 0.00 0.00 31.44 29.46 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 100 N -2.86 3.26 0.00 0.62 0.00 -1.04 -4.84 121.76 116.90 2kcq s ALA 100 Ca 0.44 -2.27 0.01 0.00 0.00 0.00 0.00 51.96 50.14 2kcq s ALA 100 Cb 0.36 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.89 2kcq s ALA 100 CO 0.09 -1.70 0.94 2.41 0.00 0.00 0.00 175.76 177.50 2kcq n THR 101 N 4.84 0.00 -3.67 0.00 -1.04 -1.26 -4.97 114.28 108.18 2kcq n THR 101 Ca -0.08 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 2kcq n THR 101 Cb 0.42 0.46 -0.12 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.00 2.01 1.25 -1.42 -0.71 -1.26 -5.12 117.98 112.73 2kcq s PHE 102 Ca 0.02 -2.51 -0.20 0.00 -1.04 0.00 0.00 56.93 53.19 2kcq s PHE 102 Cb 0.02 -1.79 0.31 0.00 -1.21 0.00 0.00 43.02 40.35 2kcq s PHE 102 CO -0.01 -0.75 1.06 -2.14 -1.34 0.00 0.00 175.22 172.04 2kcq s PRO 103 N 0.04 -1.63 0.00 1.99 0.02 -1.26 -4.07 135.00 130.08 2kcq s PRO 103 Ca 0.22 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.26 2kcq s PRO 103 Cb -0.16 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 32.82 2kcq s PRO 103 CO -0.06 -4.00 0.00 0.41 -0.33 0.00 0.00 177.00 173.02 2kcq n GLY 104 N -0.31 3.15 3.87 0.52 0.00 -1.26 -5.01 105.19 106.15 2kcq n GLY 104 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.93 3.53 -0.20 1.61 0.40 -1.26 -4.83 117.98 115.30 2kcq s PHE 105 Ca 0.00 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.55 2kcq s PHE 105 Cb 0.00 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 2kcq s PHE 105 CO 0.00 0.67 0.53 0.99 0.70 0.00 0.00 175.22 178.11 2kcq s THR 106 N -1.16 5.09 -0.45 0.64 2.01 -1.17 -4.53 115.64 116.07 2kcq s THR 106 Ca 0.21 0.98 -0.19 0.00 0.31 0.00 0.00 61.69 63.00 2kcq s THR 106 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2kcq s THR 106 CO 0.11 0.17 0.58 -0.31 -0.69 0.00 0.00 174.62 174.47 2kcq s TYR 107 N 1.69 3.09 -0.32 4.92 2.02 0.54 -0.45 117.35 128.84 2kcq s TYR 107 Ca 0.25 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 2kcq s TYR 107 Cb -0.15 -3.25 -0.02 0.00 -0.40 0.00 0.00 41.96 38.13 2kcq s TYR 107 CO 0.10 -0.86 0.43 0.08 -1.57 0.00 0.00 175.55 173.73 2kcq s VAL 108 N 2.58 5.11 -0.25 0.71 1.01 0.96 0.51 120.40 131.04 2kcq s VAL 108 Ca 0.18 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2kcq s VAL 108 Cb -0.16 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2kcq s VAL 108 CO 0.16 -0.05 -0.00 -0.63 0.00 0.00 0.00 175.10 174.57 2kcq s ILE 109 N 2.18 3.53 -0.11 2.22 1.01 0.94 -1.12 121.20 129.85 2kcq s ILE 109 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2kcq s ILE 109 Cb -0.16 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2kcq s ILE 109 CO 0.12 0.29 -0.06 0.54 0.00 0.00 0.00 174.94 175.83 2kcq s VAL 110 N 1.47 3.74 -0.54 2.92 0.11 -1.21 -1.52 120.40 125.37 2kcq s VAL 110 Ca 0.04 -0.44 -0.28 0.00 -2.93 0.00 0.00 61.98 58.38 2kcq s VAL 110 Cb -0.15 -2.58 0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2kcq s VAL 110 CO -0.01 0.55 1.12 -0.55 -3.33 0.00 0.00 175.10 172.87 2kcq s SER 111 N -0.19 6.48 -0.25 3.54 0.15 -0.04 -3.64 113.70 119.75 2kcq s SER 111 Ca 0.03 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2kcq s SER 111 Cb -0.13 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2kcq s SER 111 CO 0.03 -1.36 -0.03 -0.69 1.20 0.00 0.00 173.24 172.39 2kcq s VAL 112 N 4.59 3.22 -0.75 4.45 1.01 -1.26 0.68 120.40 132.34 2kcq s VAL 112 Ca 0.42 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2kcq s VAL 112 Cb -0.08 -2.59 0.19 0.00 0.00 0.00 0.00 36.38 33.90 2kcq s VAL 112 CO 0.26 0.25 0.61 -0.13 0.00 0.00 0.00 175.10 176.09 2kcq s ARG 113 N 1.40 3.01 0.00 2.72 0.52 0.91 -3.90 118.95 123.61 2kcq s ARG 113 Ca 0.02 -2.72 0.00 0.00 -0.52 0.00 0.00 55.73 52.51 2kcq s ARG 113 Cb -0.16 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.35 2kcq s ARG 113 CO -0.03 -1.22 0.00 -3.47 0.02 0.00 0.00 175.30 170.60 2kcq n ASP 114 N 3.29 0.00 0.00 0.23 2.03 -1.26 -1.19 116.55 119.64 2kcq n ASP 114 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2kcq n ASP 114 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.00 -0.76 3.17 0.27 0.00 -1.26 -4.83 105.19 101.78 2kcq n GLY 115 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kcq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq s ALA 116 N -0.18 2.77 -0.61 4.61 0.00 -0.33 -4.89 121.76 123.12 2kcq s ALA 116 Ca 0.00 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.98 2kcq s ALA 116 Cb 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 2kcq s ALA 116 CO 0.00 -1.19 1.63 -2.14 0.00 0.00 0.00 175.76 174.06 2kcq s PRO 117 N 1.25 2.94 0.00 0.00 0.02 -1.26 -0.07 135.00 137.89 2kcq s PRO 117 Ca -0.05 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.40 2kcq s PRO 117 Cb -0.19 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.06 2kcq s PRO 117 CO -0.02 -2.38 0.28 -1.91 -0.33 0.00 0.00 177.00 172.65 2kcq n GLU 118 N 9.07 0.00 -3.89 5.54 2.13 0.21 -4.97 120.64 128.73 2kcq n GLU 118 Ca 0.15 0.48 -0.11 0.00 0.66 0.00 0.00 57.16 58.34 2kcq n GLU 118 Cb 0.50 -1.12 -0.11 0.00 0.27 0.00 0.00 31.44 30.98 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 -3.02 -0.18 -0.26 4.31 0.00 -1.23 -4.97 121.76 116.41 2kcq s ALA 119 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2kcq s ALA 119 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2kcq s ALA 119 CO 0.00 -0.14 0.17 -0.51 0.00 0.00 0.00 175.76 175.28 2kcq s LEU 120 N -0.92 4.02 -0.05 0.00 1.43 -1.26 -0.86 118.68 121.04 2kcq s LEU 120 Ca -0.10 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2kcq s LEU 120 Cb -0.06 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2kcq s LEU 120 CO 0.00 0.00 -0.11 0.42 0.23 0.00 0.00 176.35 176.89 2kcq s THR 121 N 1.44 1.03 -0.11 5.49 -4.23 -0.57 -5.02 115.64 113.67 2kcq s THR 121 Ca 0.07 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.11 2kcq s THR 121 Cb -0.15 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2kcq s THR 121 CO 0.08 0.32 -0.05 0.00 -0.54 0.00 0.00 174.62 174.42 2kcq s ALA 122 N 0.44 2.99 -0.01 3.99 0.00 -1.26 -0.04 121.76 127.87 2kcq s ALA 122 Ca -0.09 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2kcq s ALA 122 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2kcq s ALA 122 CO 0.02 0.40 -0.22 -1.58 0.00 0.00 0.00 175.76 174.39 2kcq s TRP 123 N -0.24 1.93 -0.16 0.00 0.52 0.18 -0.91 118.94 120.26 2kcq s TRP 123 Ca 0.04 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.76 2kcq s TRP 123 Cb -0.13 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 2kcq s TRP 123 CO 0.02 -0.02 -0.07 0.00 0.02 0.00 0.00 176.95 176.91 2kcq s ALA 124 N -0.54 2.84 -0.21 0.98 0.00 0.11 -0.34 121.76 124.61 2kcq s ALA 124 Ca 0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 2kcq s ALA 124 Cb -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2kcq s ALA 124 CO -0.01 0.07 1.01 -1.17 0.00 0.00 0.00 175.76 175.67 2kcq s LEU 125 N 0.62 4.12 0.24 0.00 2.96 -1.26 -0.52 118.68 124.84 2kcq s LEU 125 Ca -0.04 1.37 -0.31 0.00 -0.22 0.00 0.00 54.13 54.93 2kcq s LEU 125 Cb -0.15 -3.51 -0.12 0.00 0.50 0.00 0.00 46.19 42.91 2kcq s LEU 125 CO 0.03 -0.62 1.63 0.00 -1.32 0.00 0.00 176.35 176.07 2kcq n ALA 126 N 6.06 2.38 0.17 5.97 0.00 -0.99 -4.67 120.51 129.43 2kcq n ALA 126 Ca 0.11 0.40 0.17 0.00 0.00 0.00 0.00 53.44 54.12 2kcq n ALA 126 Cb 0.47 -2.46 0.79 0.00 0.00 0.00 0.00 19.45 18.26 2kcq n ALA 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kcq h PRO 127 N 5.64 0.00 0.00 0.00 0.11 -1.94 0.49 132.00 136.30 2kcq h PRO 127 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kcq h PRO 127 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2kcq h PRO 127 CO 0.87 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.22 2kcq h ASP 128 N 0.00 0.00 -5.80 -2.05 5.19 -1.95 -3.46 116.42 108.34 2kcq h ASP 128 Ca 0.11 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.13 2kcq h ASP 128 Cb 0.58 0.00 0.14 0.00 0.18 0.00 0.00 39.33 40.24 2kcq h ASP 128 CO -0.00 0.00 -0.69 0.54 -3.12 0.00 0.00 179.24 175.97 2kcq n ARG 129 N -2.82 -7.77 -0.09 3.56 1.74 0.17 -4.91 116.66 106.54 2kcq n ARG 129 Ca -0.01 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.80 2kcq n ARG 129 Cb 0.17 -5.87 -0.13 0.00 -1.02 0.00 0.00 32.46 25.61 2kcq n ARG 129 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kcq n SER 130 N -3.02 1.19 -3.40 0.55 2.88 -1.26 -5.06 113.62 105.49 2kcq n SER 130 Ca -0.04 -0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 2kcq n SER 130 Cb 0.58 0.58 0.02 0.00 -0.75 0.00 0.00 64.21 64.64 2kcq n SER 130 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2kcq s GLU 131 N -2.42 1.24 0.13 -1.46 -1.05 -1.26 -5.10 118.70 108.77 2kcq s GLU 131 Ca -0.14 -0.79 0.04 0.00 -0.15 0.00 0.00 54.97 53.92 2kcq s GLU 131 Cb 0.06 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 2kcq s GLU 131 CO 0.65 -0.58 0.12 -0.06 0.95 0.00 0.00 175.26 176.34 2kcq s PHE 132 N -2.17 3.19 -0.03 4.83 0.08 -1.26 -2.35 117.98 120.27 2kcq s PHE 132 Ca 0.22 0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.37 2kcq s PHE 132 Cb -0.02 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2kcq s PHE 132 CO 0.05 0.52 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.47 2kcq s HIS 133 N -1.59 1.93 -0.12 0.36 3.76 0.32 -4.94 115.29 115.01 2kcq s HIS 133 Ca 0.30 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 2kcq s HIS 133 Cb -0.11 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 2kcq s HIS 133 CO 0.23 -0.10 0.74 0.50 -0.85 0.00 0.00 174.74 175.26 2kcq s ARG 134 N -0.30 4.35 0.09 1.40 3.52 -1.26 0.09 118.95 126.84 2kcq s ARG 134 Ca 0.03 0.89 0.06 0.00 -0.13 0.00 0.00 55.73 56.58 2kcq s ARG 134 Cb -0.10 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 2kcq s ARG 134 CO 0.01 -0.12 -0.09 -2.00 -0.81 0.00 0.00 175.30 172.29 2kcq s GLU 135 N 1.44 2.23 0.17 5.12 2.12 -0.08 -4.94 118.70 124.76 2kcq s GLU 135 Ca 0.37 -0.96 -0.24 0.00 0.36 0.00 0.00 54.97 54.50 2kcq s GLU 135 Cb -0.17 -2.36 -0.08 0.00 0.26 0.00 0.00 34.13 31.78 2kcq s GLU 135 CO 0.15 0.52 0.75 -0.51 -0.54 0.00 0.00 175.26 175.64 2kcq s ASP 136 N -2.10 7.31 -0.35 -1.70 1.01 -1.26 -4.17 116.67 115.41 2kcq s ASP 136 Ca 0.21 1.58 -0.26 0.00 0.71 0.00 0.00 52.55 54.79 2kcq s ASP 136 Cb -0.11 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2kcq s ASP 136 CO 0.13 0.18 0.93 -0.63 0.21 0.00 0.00 175.17 175.99 2kcq s ILE 137 N -1.21 4.61 0.18 0.77 1.01 -1.26 -4.36 121.20 120.94 2kcq s ILE 137 Ca 0.37 1.28 0.07 0.00 0.00 0.00 0.00 60.65 62.36 2kcq s ILE 137 Cb -0.22 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2kcq s ILE 137 CO 0.25 -0.48 0.06 -0.69 0.00 0.00 0.00 174.94 174.08 2kcq s VAL 138 N 3.41 4.05 -0.17 2.92 1.01 -0.22 -4.98 120.40 126.42 2kcq s VAL 138 Ca 0.38 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2kcq s VAL 138 Cb -0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2kcq s VAL 138 CO 0.17 -0.14 0.02 -0.13 0.00 0.00 0.00 175.10 175.03 2kcq s ARG 139 N -3.09 3.85 0.35 2.72 0.52 -1.26 -1.11 118.95 120.93 2kcq s ARG 139 Ca 0.29 -0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 54.81 2kcq s ARG 139 Cb -0.09 -3.11 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 2kcq s ARG 139 CO 0.21 0.25 1.34 -1.25 0.02 0.00 0.00 175.30 175.87 2kcq s PRO 140 N 0.40 4.27 0.77 3.54 0.04 -1.26 -4.93 135.00 137.83 2kcq s PRO 140 Ca 0.00 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2kcq s PRO 140 Cb -0.13 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.45 2kcq s PRO 140 CO 0.01 -0.28 1.11 -0.51 0.04 0.00 0.00 177.00 177.37 2kcq s ASP 141 N -0.46 4.34 0.00 6.66 1.01 -1.26 -4.88 116.67 122.09 2kcq s ASP 141 Ca 0.50 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2kcq s ASP 141 Cb -0.41 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.99 2kcq s ASP 141 CO 0.54 -2.15 0.34 -2.65 0.21 0.00 0.00 175.17 171.47 2kcq n PRO 142 N -3.42 0.67 -3.34 8.23 -0.02 -1.26 -3.83 135.00 132.03 2kcq n PRO 142 Ca 0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.32 2kcq n PRO 142 Cb 0.53 -1.33 -0.09 0.00 -0.02 0.00 0.00 33.50 32.59 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 143 N 0.15 0.46 -3.44 -0.52 1.02 -1.26 -5.12 120.64 111.93 2kcq n GLU 143 Ca 0.00 -3.26 -0.37 0.00 -0.02 0.00 0.00 57.16 53.51 2kcq n GLU 143 Cb 0.16 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.46 3.66 0.31 0.62 0.00 -1.25 -5.05 121.76 119.59 2kcq s ALA 144 Ca 0.34 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2kcq s ALA 144 Cb 0.08 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.65 2kcq s ALA 144 CO -0.16 0.47 1.54 -2.14 0.00 0.00 0.00 175.76 175.47 2kcq s PRO 145 N -1.37 4.15 -0.10 0.00 0.02 -1.26 -4.98 135.00 131.45 2kcq s PRO 145 Ca 0.29 2.53 -0.14 0.00 0.02 0.00 0.00 61.00 63.69 2kcq s PRO 145 Cb -0.17 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 2kcq s PRO 145 CO 0.16 -0.56 0.33 -0.51 -0.33 0.00 0.00 177.00 176.09 2kcq s LEU 146 N -0.89 4.33 0.29 -5.54 1.43 -1.26 -4.72 118.68 112.32 2kcq s LEU 146 Ca 0.60 0.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 2kcq s LEU 146 Cb -0.46 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2kcq s LEU 146 CO 0.51 0.19 0.43 -0.70 0.23 0.00 0.00 176.35 177.01 2kcq s GLU 147 N -0.15 3.33 0.00 1.70 -6.30 -1.26 -4.99 118.70 111.03 2kcq s GLU 147 Ca 0.19 -0.77 0.00 0.00 -2.50 0.00 0.00 54.97 51.90 2kcq s GLU 147 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 34.13 31.16 2kcq s GLU 147 CO 0.07 0.25 0.00 0.72 0.02 0.00 0.00 175.26 176.33 2kcq n HIS 148 N -1.56 0.00 -3.21 5.30 8.25 -1.26 -5.09 115.22 117.65 2kcq n HIS 148 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kcq n HIS 148 Cb 0.57 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcq s HIS 149 N 0.97 -1.39 -0.18 4.41 3.76 -1.26 -5.06 115.29 116.55 2kcq s HIS 149 Ca 0.00 1.41 -0.15 0.00 -0.15 0.00 0.00 55.06 56.18 2kcq s HIS 149 Cb 0.00 0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.98 2kcq s HIS 149 CO 0.00 -0.85 -0.09 0.72 -0.85 0.00 0.00 174.74 173.68 2kcq n HIS 150 N 5.41 0.77 -3.72 1.40 8.25 -1.26 -5.06 115.22 121.02 2kcq n HIS 150 Ca -0.01 0.34 -0.10 0.00 -0.26 0.00 0.00 57.72 57.68 2kcq n HIS 150 Cb 0.51 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.70 2kcq n HIS 150 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcq s HIS 151 N -2.38 -0.06 0.27 4.41 -3.43 -1.26 -5.18 115.29 107.66 2kcq s HIS 151 Ca -0.23 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2kcq s HIS 151 Cb 0.05 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2kcq s HIS 151 CO 0.39 -0.70 0.02 0.72 -2.00 0.00 0.00 174.74 173.17 2kcq n HIS 152 N -0.21 0.46 1.99 0.38 -0.00 -1.26 -5.11 115.22 111.47 2kcq n HIS 152 Ca -0.14 -1.32 0.16 0.00 -0.00 0.00 0.00 57.72 56.42 2kcq n HIS 152 Cb 0.63 -0.18 0.94 0.00 -0.00 0.00 0.00 29.99 31.38 2kcq n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95