#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 3.18 0.29 2.12 3.01 0.25 -3.91 119.74 124.68 2kcq s LYS 2 Ca 0.00 -0.43 -0.13 0.00 -1.01 0.00 0.00 55.97 54.40 2kcq s LYS 2 Cb 0.00 -2.83 0.01 0.00 -1.01 0.00 0.00 37.83 34.00 2kcq s LYS 2 CO 0.00 0.58 0.57 -0.08 0.51 0.00 0.00 175.35 176.93 2kcq s THR 3 N -0.53 0.00 0.33 2.17 -1.32 -1.12 -1.22 115.64 113.95 2kcq s THR 3 Ca 0.09 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.36 2kcq s THR 3 Cb -0.12 -2.36 -0.06 0.00 -1.51 0.00 0.00 72.50 68.45 2kcq s THR 3 CO 0.02 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 172.73 2kcq s THR 4 N -3.54 2.29 0.41 5.08 -4.23 -1.26 -4.39 115.64 110.01 2kcq s THR 4 Ca 0.21 -2.25 0.12 0.00 -1.18 0.00 0.00 61.69 58.58 2kcq s THR 4 Cb -0.02 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.57 2kcq s THR 4 CO 0.11 -0.25 1.97 -0.65 -0.54 0.00 0.00 174.62 175.26 2kcq h PRO 5 N 2.08 0.50 -0.57 3.99 0.11 -2.00 -1.46 132.00 134.64 2kcq h PRO 5 Ca -0.42 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.75 2kcq h PRO 5 Cb 1.25 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 2kcq h PRO 5 CO 0.68 0.33 0.20 0.22 -0.21 0.00 0.00 178.00 179.22 2kcq h ASP 6 N 0.51 0.19 -0.01 -2.05 3.58 -2.00 0.12 116.42 116.76 2kcq h ASP 6 Ca 0.30 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.63 2kcq h ASP 6 Cb 0.49 0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.62 2kcq h ASP 6 CO -0.09 0.12 -0.76 0.40 -2.88 0.00 0.00 179.24 176.02 2kcq h ILE 7 N 0.37 1.36 -0.74 2.25 1.08 -1.76 -3.12 117.51 116.96 2kcq h ILE 7 Ca 0.29 -2.12 0.07 0.00 -0.39 0.00 0.00 64.86 62.71 2kcq h ILE 7 Cb 0.35 2.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.52 2kcq h ILE 7 CO -0.30 0.63 0.42 -0.07 -0.69 0.00 0.00 178.15 178.15 2kcq h LEU 8 N 0.11 0.63 -0.37 1.44 3.38 -0.77 0.20 115.31 119.93 2kcq h LEU 8 Ca -0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kcq h LEU 8 Cb 1.45 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2kcq h LEU 8 CO 0.15 0.39 0.15 -0.78 0.09 0.00 0.00 178.44 178.44 2kcq h ASP 9 N 0.76 0.51 -0.78 -0.43 1.82 -0.86 -2.18 116.42 115.27 2kcq h ASP 9 Ca 0.34 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2kcq h ASP 9 Cb 0.23 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 2kcq h ASP 9 CO -0.20 0.54 0.48 1.56 -1.61 0.00 0.00 179.24 180.01 2kcq h GLN 10 N 0.45 1.05 -0.02 0.28 4.20 -1.25 -2.00 115.11 117.82 2kcq h GLN 10 Ca 0.12 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2kcq h GLN 10 Cb 0.19 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2kcq h GLN 10 CO -0.01 0.73 -0.01 0.82 -0.67 0.00 0.00 178.83 179.69 2kcq h ILE 11 N 1.06 0.96 -0.19 2.54 2.04 -0.32 0.19 117.51 123.79 2kcq h ILE 11 Ca 0.28 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.07 2kcq h ILE 11 Cb -0.05 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2kcq h ILE 11 CO -0.05 0.00 -0.21 0.08 0.00 0.00 0.00 178.15 177.97 2kcq h ARG 12 N -0.01 0.34 -0.12 2.37 0.11 -1.28 0.21 114.38 116.00 2kcq h ARG 12 Ca 0.01 -0.11 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 2kcq h ARG 12 Cb 0.03 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kcq h ARG 12 CO -0.03 0.54 -0.08 0.28 0.10 0.00 0.00 179.97 180.77 2kcq h VAL 13 N 0.31 1.34 0.00 0.08 2.07 -1.02 -2.73 116.25 116.30 2kcq h VAL 13 Ca 0.05 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 2kcq h VAL 13 Cb 0.54 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2kcq h VAL 13 CO 0.04 0.34 -0.22 0.45 0.02 0.00 0.00 177.57 178.19 2kcq h HIS 14 N -0.11 0.00 -0.44 1.57 3.86 -0.31 0.13 115.15 119.86 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 0.57 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 2kcq h HIS 14 CO 0.08 0.22 0.22 0.78 0.86 0.00 0.00 177.93 180.09 2kcq h GLY 15 N 0.93 0.66 1.71 2.45 0.00 -0.48 0.12 103.07 108.46 2kcq h GLY 15 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 2kcq h GLY 15 CO 0.03 0.30 -0.67 0.00 0.00 0.00 0.00 176.54 176.20 2kcq h ALA 16 N 1.07 0.73 -0.57 3.60 0.00 -1.07 -2.88 119.26 120.14 2kcq h ALA 16 Ca 0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2kcq h ALA 16 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kcq h ALA 16 CO -0.02 0.76 0.28 0.22 0.00 0.00 0.00 179.25 180.49 2kcq h ASP 17 N 0.20 0.72 -0.36 0.00 3.58 -0.55 -2.36 116.42 117.65 2kcq h ASP 17 Ca -0.02 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.22 2kcq h ASP 17 Cb 1.21 -0.18 -0.09 0.00 1.72 0.00 0.00 39.33 41.99 2kcq h ASP 17 CO 0.11 0.61 0.19 0.00 -2.88 0.00 0.00 179.24 177.27 2kcq n ALA 18 N -2.45 3.57 -2.81 -0.78 0.00 0.39 -4.87 120.51 113.56 2kcq n ALA 18 Ca 0.05 -1.07 -0.32 0.00 0.00 0.00 0.00 53.44 52.10 2kcq n ALA 18 Cb 0.13 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2kcq n ALA 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2kcq s TYR 19 N -1.47 3.31 0.07 0.00 5.04 -0.89 -2.00 117.35 121.41 2kcq s TYR 19 Ca 0.23 0.18 0.31 0.00 -2.44 0.00 0.00 57.07 55.36 2kcq s TYR 19 Cb 0.19 -1.71 1.21 0.00 0.35 0.00 0.00 41.96 42.00 2kcq s TYR 19 CO 0.05 0.56 1.93 -1.35 -1.34 0.00 0.00 175.55 175.40 2kcq h PRO 20 N 3.65 0.00 -2.42 4.97 0.11 -1.89 -3.49 132.00 132.93 2kcq h PRO 20 Ca -0.48 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.81 2kcq h PRO 20 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2kcq h PRO 20 CO 0.66 0.04 0.55 -1.83 -0.21 0.00 0.00 178.00 177.22 2kcq s GLU 21 N -3.64 1.25 0.20 1.05 -1.05 -0.85 -4.79 118.70 110.87 2kcq s GLU 21 Ca 0.01 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2kcq s GLU 21 Cb 0.09 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2kcq s GLU 21 CO 0.57 -0.58 0.00 -1.91 0.95 0.00 0.00 175.26 174.29 2kcq n GLU 22 N -0.60 -2.72 0.00 -4.83 2.13 -1.24 -4.88 120.64 108.50 2kcq n GLU 22 Ca -0.05 1.97 0.00 0.00 0.66 0.00 0.00 57.16 59.75 2kcq n GLU 22 Cb 0.60 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kcq n GLY 23 N 0.06 -0.85 3.75 8.31 0.00 -1.26 -4.43 105.19 110.78 2kcq n GLY 23 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.37 2.67 3.73 0.00 0.00 -1.00 -3.64 105.19 107.31 2kcq n GLY 25 Ca 0.13 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -5.48 3.03 -0.18 1.61 0.08 -0.89 -0.62 117.98 115.53 2kcq s PHE 26 Ca 0.00 -0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 2kcq s PHE 26 Cb 0.00 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2kcq s PHE 26 CO 0.00 0.51 0.39 -0.51 -0.10 0.00 0.00 175.22 175.51 2kcq s LEU 27 N -2.71 4.19 -0.17 -0.37 1.43 0.73 -1.06 118.68 120.73 2kcq s LEU 27 Ca 0.28 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.87 2kcq s LEU 27 Cb -0.11 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kcq s LEU 27 CO 0.20 -0.04 0.05 -0.76 0.23 0.00 0.00 176.35 176.03 2kcq s LEU 28 N 1.07 3.74 0.00 1.79 1.43 -0.34 -1.89 118.68 124.49 2kcq s LEU 28 Ca 0.19 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2kcq s LEU 28 Cb -0.14 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 28 CO 0.07 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2kcq n GLY 29 N 3.31 1.03 3.05 -3.19 0.00 -0.69 -0.76 105.19 107.94 2kcq n GLY 29 Ca -0.17 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2kcq n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcq s THR 30 N -2.07 0.46 -0.03 2.61 -4.23 -0.64 0.55 115.64 112.29 2kcq s THR 30 Ca 0.00 -1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 2kcq s THR 30 Cb 0.00 -0.60 -0.05 0.00 1.34 0.00 0.00 72.50 73.19 2kcq s THR 30 CO 0.00 -0.43 0.56 -0.69 -0.54 0.00 0.00 174.62 173.52 2kcq s VAL 31 N -1.52 4.98 -2.25 2.29 1.01 -1.26 -0.93 120.40 122.71 2kcq s VAL 31 Ca -0.10 1.16 0.23 0.00 0.00 0.00 0.00 61.98 63.27 2kcq s VAL 31 Cb -0.09 -3.89 0.52 0.00 0.00 0.00 0.00 36.38 32.92 2kcq s VAL 31 CO -0.00 0.41 1.67 0.35 0.00 0.00 0.00 175.10 177.52 2kcq n THR 32 N 2.88 0.11 0.00 3.92 -2.24 -1.04 -4.88 114.28 113.03 2kcq n THR 32 Ca -0.07 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kcq n THR 32 Cb 0.51 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2kcq n THR 32 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kcq n ASP 33 N -0.00 0.00 0.26 3.42 8.00 -1.26 -4.75 116.55 122.22 2kcq n ASP 33 Ca 0.17 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.81 2kcq n ASP 33 Cb 0.27 -0.43 0.62 0.00 -0.02 0.00 0.00 41.12 41.57 2kcq n ASP 33 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2kcq h ASP 34 N 0.00 0.00 0.00 -2.24 3.32 -2.02 -3.45 116.42 112.02 2kcq h ASP 34 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kcq h ASP 34 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kcq h ASP 34 CO 0.00 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 2kcq n GLY 35 N -0.04 1.63 3.99 2.75 0.00 -1.26 -5.12 105.19 107.14 2kcq n GLY 35 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.64 5.70 -0.05 1.61 -1.08 -1.26 -4.97 116.67 114.96 2kcq s ASP 36 Ca 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 2kcq s ASP 36 Cb 0.00 -0.97 0.02 0.00 -1.46 0.00 0.00 42.92 40.51 2kcq s ASP 36 CO 0.00 -0.73 -0.07 0.54 0.52 0.00 0.00 175.17 175.43 2kcq s ASN 37 N -4.30 1.27 -0.03 -0.34 4.22 -1.26 -2.49 114.94 112.01 2kcq s ASN 37 Ca 0.52 -0.19 -0.01 0.00 -2.14 0.00 0.00 52.86 51.04 2kcq s ASN 37 Cb -0.10 -0.58 -0.04 0.00 1.28 0.00 0.00 41.25 41.82 2kcq s ASN 37 CO 0.34 -0.04 0.04 0.00 -2.04 0.00 0.00 177.10 175.40 2kcq s ARG 38 N 0.92 2.99 -0.24 3.55 1.70 -0.11 -0.58 118.95 127.17 2kcq s ARG 38 Ca -0.11 -0.48 -0.09 0.00 -0.47 0.00 0.00 55.73 54.58 2kcq s ARG 38 Cb -0.15 -2.81 -0.04 0.00 -0.57 0.00 0.00 34.95 31.38 2kcq s ARG 38 CO 0.01 0.66 0.13 0.08 -1.08 0.00 0.00 175.30 175.10 2kcq s VAL 39 N -1.07 5.02 -0.08 4.99 1.01 -0.35 -1.62 120.40 128.30 2kcq s VAL 39 Ca 0.19 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.30 2kcq s VAL 39 Cb -0.12 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2kcq s VAL 39 CO 0.09 0.34 0.02 0.00 0.00 0.00 0.00 175.10 175.55 2kcq n ALA 40 N 4.52 1.81 -2.86 5.51 0.00 0.06 -4.60 120.51 124.96 2kcq n ALA 40 Ca -0.15 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 2kcq n ALA 40 Cb 0.52 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.18 0.19 0.09 0.00 0.00 -0.01 -5.00 121.76 114.84 2kcq s ALA 41 Ca -0.04 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 50.90 2kcq s ALA 41 Cb 0.02 1.15 -0.03 0.00 0.00 0.00 0.00 23.12 24.26 2kcq s ALA 41 CO 0.31 -0.76 -0.25 -0.51 0.00 0.00 0.00 175.76 174.54 2kcq s LEU 42 N -3.05 2.25 -0.17 0.00 1.43 -1.26 -1.20 118.68 116.67 2kcq s LEU 42 Ca 0.27 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2kcq s LEU 42 Cb 0.02 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.07 2kcq s LEU 42 CO 0.09 0.19 -0.17 -2.28 0.23 0.00 0.00 176.35 174.41 2kcq s HIS 43 N -0.95 2.78 -0.08 0.29 5.65 -0.22 -4.87 115.29 117.89 2kcq s HIS 43 Ca 0.12 -1.37 -0.12 0.00 0.25 0.00 0.00 55.06 53.94 2kcq s HIS 43 Cb -0.10 -1.92 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2kcq s HIS 43 CO 0.04 -0.67 0.30 1.03 -0.65 0.00 0.00 174.74 174.79 2kcq s ARG 44 N 1.13 3.85 -1.12 2.88 0.52 -1.26 -2.08 118.95 122.86 2kcq s ARG 44 Ca 0.01 0.16 -0.17 0.00 -0.52 0.00 0.00 55.73 55.21 2kcq s ARG 44 Cb -0.14 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 2kcq s ARG 44 CO -0.07 0.61 2.11 0.00 0.02 0.00 0.00 175.30 177.97 2kcq n ALA 45 N 2.29 4.54 -3.62 2.13 0.00 -1.24 -4.76 120.51 119.85 2kcq n ALA 45 Ca -0.15 -3.53 -0.11 0.00 0.00 0.00 0.00 53.44 49.64 2kcq n ALA 45 Cb 0.53 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.36 2kcq n ALA 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kcq s THR 46 N 4.01 0.00 0.00 0.00 -1.32 -1.26 -4.85 115.64 112.23 2kcq s THR 46 Ca 0.52 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 2kcq s THR 46 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2kcq s THR 46 CO 0.01 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.22 2kcq n ASN 47 N 1.99 0.00 -0.09 8.08 5.15 -1.26 -5.08 115.26 124.05 2kcq n ASN 47 Ca -0.13 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.68 2kcq n ASN 47 Cb 0.56 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.70 2kcq n ASN 47 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2kcq h ARG 48 N 0.00 0.00 -2.91 1.20 2.43 -2.01 -3.49 114.38 109.60 2kcq h ARG 48 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2kcq h ARG 48 Cb 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.40 2kcq h ARG 48 CO 0.00 0.89 0.05 1.03 -1.51 0.00 0.00 179.97 180.44 2kcq s ARG 49 N -2.27 1.08 0.06 0.20 0.52 -1.26 -5.08 118.95 112.20 2kcq s ARG 49 Ca -0.24 -0.35 -0.37 0.00 -0.52 0.00 0.00 55.73 54.26 2kcq s ARG 49 Cb 0.02 0.49 -0.20 0.00 0.52 0.00 0.00 34.95 35.79 2kcq s ARG 49 CO 0.58 -0.41 1.58 1.03 0.02 0.00 0.00 175.30 178.09 2kcq h SER 50 N 2.57 -1.09 0.00 0.23 0.87 -1.97 -3.48 113.55 110.68 2kcq h SER 50 Ca -0.32 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2kcq h SER 50 Cb 1.24 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2kcq h SER 50 CO 0.42 -0.76 0.00 1.21 -0.53 0.00 0.00 176.83 177.17 2kcq n GLU 51 N -5.63 0.00 -2.74 2.24 2.13 -1.26 -5.02 120.64 110.35 2kcq n GLU 51 Ca -0.16 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.59 2kcq n GLU 51 Cb 0.50 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.26 2kcq n GLU 51 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2kcq n GLN 52 N -0.96 0.72 -3.51 5.31 7.27 -1.26 -5.08 117.38 119.87 2kcq n GLN 52 Ca 0.00 -1.67 -0.42 0.00 0.07 0.00 0.00 57.00 54.98 2kcq n GLN 52 Cb 0.00 -1.39 -0.06 0.00 2.41 0.00 0.00 30.24 31.20 2kcq n GLN 52 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2kcq s ARG 53 N 0.67 2.96 -0.33 3.69 3.00 -1.26 -5.04 118.95 122.64 2kcq s ARG 53 Ca 0.32 -2.29 -0.28 0.00 0.00 0.00 0.00 55.73 53.47 2kcq s ARG 53 Cb 0.22 -4.07 -0.02 0.00 0.00 0.00 0.00 34.95 31.08 2kcq s ARG 53 CO -0.23 -1.23 1.83 0.99 0.00 0.00 0.00 175.30 176.66 2kcq s THR 54 N 0.42 3.44 0.20 0.02 2.01 -1.26 -4.95 115.64 115.52 2kcq s THR 54 Ca 0.14 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.58 2kcq s THR 54 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2kcq s THR 54 CO -0.05 -0.39 0.10 0.00 -0.69 0.00 0.00 174.62 173.59 2kcq s ARG 55 N 5.76 1.18 -0.11 4.92 1.70 -1.26 -5.06 118.95 126.09 2kcq s ARG 55 Ca 0.81 -1.61 0.17 0.00 -0.47 0.00 0.00 55.73 54.63 2kcq s ARG 55 Cb -0.23 0.10 -0.24 0.00 -0.57 0.00 0.00 34.95 34.01 2kcq s ARG 55 CO 0.33 -0.32 0.36 0.54 -1.08 0.00 0.00 175.30 175.14 2kcq n ARG 56 N -0.28 0.66 -4.02 3.89 1.74 -1.26 -4.87 116.66 112.53 2kcq n ARG 56 Ca -0.01 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 2kcq n ARG 56 Cb 0.65 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 2kcq n ARG 56 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2kcq s TYR 57 N -2.70 3.58 -0.14 -1.55 2.02 -1.26 -5.05 117.35 112.26 2kcq s TYR 57 Ca -0.07 -2.72 -0.06 0.00 -0.37 0.00 0.00 57.07 53.85 2kcq s TYR 57 Cb 0.08 -2.60 0.06 0.00 -0.40 0.00 0.00 41.96 39.09 2kcq s TYR 57 CO 0.83 -0.92 0.30 -1.83 -1.57 0.00 0.00 175.55 172.36 2kcq s GLU 58 N 0.99 0.24 -0.22 -0.62 -1.05 -1.26 -5.03 118.70 111.75 2kcq s GLU 58 Ca 0.04 0.70 0.04 0.00 -0.15 0.00 0.00 54.97 55.61 2kcq s GLU 58 Cb -0.20 -0.03 -0.16 0.00 -0.44 0.00 0.00 34.13 33.30 2kcq s GLU 58 CO -0.07 -0.21 -0.16 1.28 0.95 0.00 0.00 175.26 177.06 2kcq n LEU 59 N 4.70 2.46 -2.81 1.83 4.77 -1.26 -5.00 117.00 121.69 2kcq n LEU 59 Ca -0.17 -0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.49 2kcq n LEU 59 Cb 0.52 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2kcq n LEU 59 CO 0.08 0.82 -0.10 0.41 -1.33 0.00 0.00 177.39 177.27 2kcq n THR 60 N -3.09 -1.53 -3.87 -5.08 -1.04 -1.26 -4.97 114.28 93.44 2kcq n THR 60 Ca -0.39 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.28 2kcq n THR 60 Cb 0.97 -3.10 -0.05 0.00 -1.82 0.00 0.00 70.33 66.32 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kcq s ALA 61 N -3.09 3.93 0.04 2.41 0.00 -1.26 -4.88 121.76 118.91 2kcq s ALA 61 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2kcq s ALA 61 Cb -0.09 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2kcq s ALA 61 CO 0.24 0.71 0.00 -3.47 0.00 0.00 0.00 175.76 173.24 2kcq n ASP 62 N 1.09 -3.94 0.18 0.00 2.03 -1.26 -4.83 116.55 109.83 2kcq n ASP 62 Ca -0.12 0.41 0.07 0.00 0.52 0.00 0.00 54.79 55.68 2kcq n ASP 62 Cb 0.53 -2.12 0.12 0.00 -0.72 0.00 0.00 41.12 38.93 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kcq h ASP 63 N 1.17 0.00 -0.30 1.67 3.58 -2.00 -3.26 116.42 117.28 2kcq h ASP 63 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2kcq h ASP 63 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2kcq h ASP 63 CO 0.00 0.25 -0.02 0.22 -2.88 0.00 0.00 179.24 176.81 2kcq h TYR 64 N 0.00 0.60 -0.70 0.28 3.20 -1.98 0.35 116.97 118.72 2kcq h TYR 64 Ca -0.00 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.77 2kcq h TYR 64 Cb 1.17 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 2kcq h TYR 64 CO 0.00 0.70 0.47 0.00 -1.64 0.00 0.00 178.16 177.69 2kcq h ARG 65 N 0.33 0.90 -0.25 1.82 3.08 -1.88 0.38 114.38 118.77 2kcq h ARG 65 Ca 0.08 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 2kcq h ARG 65 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kcq h ARG 65 CO 0.02 0.60 -0.46 0.00 -1.07 0.00 0.00 179.97 179.06 2kcq h ALA 66 N 1.57 0.73 -0.53 0.04 0.00 -1.53 -1.51 119.26 118.03 2kcq h ALA 66 Ca 0.26 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2kcq h ALA 66 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2kcq h ALA 66 CO -0.06 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 2kcq h ALA 67 N 0.97 0.72 -0.42 0.00 0.00 0.08 -2.26 119.26 118.35 2kcq h ALA 67 Ca 0.03 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2kcq h ALA 67 Cb 1.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2kcq h ALA 67 CO 0.09 0.61 0.24 0.22 0.00 0.00 0.00 179.25 180.41 2kcq h ASP 68 N 0.86 0.37 0.34 0.00 3.58 -0.13 0.21 116.42 121.66 2kcq h ASP 68 Ca 0.14 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2kcq h ASP 68 Cb 0.63 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2kcq h ASP 68 CO 0.04 0.27 -0.18 0.00 -2.88 0.00 0.00 179.24 176.49 2kcq h ALA 69 N 1.20 -0.49 -0.28 -0.78 0.00 -1.14 -0.33 119.26 117.43 2kcq h ALA 69 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2kcq h ALA 69 Cb 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kcq h ALA 69 CO -0.09 -0.78 0.03 0.00 0.00 0.00 0.00 179.25 178.41 2kcq h ALA 70 N 0.16 1.53 -0.04 0.00 0.00 -1.25 -0.37 119.26 119.29 2kcq h ALA 70 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kcq h ALA 70 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kcq h ALA 70 CO 0.06 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.67 2kcq h ALA 71 N 1.63 0.05 -0.10 0.00 0.00 -0.19 -1.02 119.26 119.63 2kcq h ALA 71 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2kcq h ALA 71 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kcq h ALA 71 CO 0.00 -0.34 -0.39 -0.56 0.00 0.00 0.00 179.25 177.96 2kcq h GLN 72 N -0.13 0.21 -0.56 0.00 3.07 -0.68 0.44 115.11 117.46 2kcq h GLN 72 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2kcq h GLN 72 Cb 0.21 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2kcq h GLN 72 CO -0.00 0.57 0.30 0.93 0.09 0.00 0.00 178.83 180.72 2kcq h GLU 73 N 0.18 0.78 0.00 0.06 5.08 -0.91 -3.09 114.58 116.67 2kcq h GLU 73 Ca 0.02 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2kcq h GLU 73 Cb 0.77 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2kcq h GLU 73 CO 0.06 0.60 -0.88 1.96 -1.00 0.00 0.00 179.01 179.75 2kcq h GLN 74 N 0.75 0.00 -0.10 2.33 4.20 -0.79 -3.48 115.11 118.02 2kcq h GLN 74 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kcq h GLN 74 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2kcq h GLN 74 CO -0.03 0.53 0.00 0.41 -0.67 0.00 0.00 178.83 179.07 2kcq n GLY 75 N 1.31 1.32 3.67 3.46 0.00 0.11 -5.09 105.19 109.97 2kcq n GLY 75 Ca -0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.10 2.47 0.33 0.99 1.43 0.10 -4.94 118.68 118.96 2kcq s LEU 76 Ca 0.00 -1.53 0.03 0.00 -1.03 0.00 0.00 54.13 51.60 2kcq s LEU 76 Cb 0.00 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2kcq s LEU 76 CO 0.00 -0.69 0.12 1.51 0.23 0.00 0.00 176.35 177.52 2kcq s ASP 77 N -3.76 1.94 -0.63 2.29 -4.77 0.19 -4.07 116.67 107.85 2kcq s ASP 77 Ca 0.20 -1.53 -0.25 0.00 -3.30 0.00 0.00 52.55 47.68 2kcq s ASP 77 Cb 0.05 0.30 0.05 0.00 -1.09 0.00 0.00 42.92 42.23 2kcq s ASP 77 CO 0.10 -0.82 1.06 -0.69 0.70 0.00 0.00 175.17 175.52 2kcq s VAL 78 N -3.48 4.16 -1.03 2.11 1.01 -1.26 -1.71 120.40 120.21 2kcq s VAL 78 Ca 0.33 0.19 0.26 0.00 0.00 0.00 0.00 61.98 62.76 2kcq s VAL 78 Cb 0.05 -4.70 0.07 0.00 0.00 0.00 0.00 36.38 31.81 2kcq s VAL 78 CO 0.16 -1.43 1.55 1.33 0.00 0.00 0.00 175.10 176.71 2kcq n VAL 79 N 6.21 0.00 -3.59 2.92 0.24 -0.79 -4.96 118.33 118.36 2kcq n VAL 79 Ca 0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kcq n VAL 79 Cb 0.47 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.25 3.07 7.63 0.00 -1.24 -2.84 105.19 112.05 2kcq n GLY 80 Ca 0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 0.52 0.03 1.61 1.01 0.81 -0.19 120.40 121.19 2kcq s VAL 81 Ca 0.00 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 60.87 2kcq s VAL 81 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2kcq s VAL 81 CO 0.00 -0.46 -0.22 -0.72 0.00 0.00 0.00 175.10 173.70 2kcq s TYR 82 N -1.70 1.91 0.06 5.22 -0.85 0.21 -0.17 117.35 122.03 2kcq s TYR 82 Ca -0.07 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.14 2kcq s TYR 82 Cb -0.08 -1.17 -0.03 0.00 0.38 0.00 0.00 41.96 41.07 2kcq s TYR 82 CO -0.00 0.06 -0.11 -1.01 -1.52 0.00 0.00 175.55 172.96 2kcq s HIS 83 N -0.71 0.95 -0.18 -3.49 3.76 0.15 -2.37 115.29 113.39 2kcq s HIS 83 Ca 0.08 -0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2kcq s HIS 83 Cb -0.09 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 2kcq s HIS 83 CO 0.01 -0.01 0.03 -1.12 -0.85 0.00 0.00 174.74 172.80 2kcq s SER 84 N -1.62 5.32 0.10 1.40 0.01 -1.26 -1.57 113.70 116.08 2kcq s SER 84 Ca -0.06 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.25 2kcq s SER 84 Cb -0.10 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2kcq s SER 84 CO 0.01 0.15 -0.04 -1.00 0.41 0.00 0.00 173.24 172.77 2kcq s HIS 85 N 0.51 2.88 0.00 2.43 3.76 -0.01 -4.93 115.29 119.93 2kcq s HIS 85 Ca 0.01 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2kcq s HIS 85 Cb -0.13 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2kcq s HIS 85 CO 0.01 0.46 0.00 -2.30 -0.85 0.00 0.00 174.74 172.07 2kcq n PRO 86 N 0.54 0.29 -0.64 8.40 -0.02 -1.26 -2.12 135.00 140.18 2kcq n PRO 86 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.29 2kcq n PRO 86 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.90 2kcq n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kcq n ASP 87 N -0.85 3.50 -3.97 2.55 5.75 -1.13 -3.59 116.55 118.81 2kcq n ASP 87 Ca 0.00 -2.14 -0.10 0.00 -0.01 0.00 0.00 54.79 52.55 2kcq n ASP 87 Cb 0.00 -0.93 -0.07 0.00 -1.03 0.00 0.00 41.12 39.09 2kcq n ASP 87 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2kcq s HIS 88 N 1.60 0.42 0.46 2.11 3.76 -1.26 -4.99 115.29 117.39 2kcq s HIS 88 Ca 0.42 -0.78 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 2kcq s HIS 88 Cb 0.20 -0.06 -0.12 0.00 1.11 0.00 0.00 32.58 33.71 2kcq s HIS 88 CO 0.00 -0.74 0.42 -2.30 -0.85 0.00 0.00 174.74 171.27 2kcq n PRO 89 N -0.23 0.43 -0.28 8.40 -0.02 -1.26 -4.73 135.00 137.31 2kcq n PRO 89 Ca -0.07 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2kcq n PRO 89 Cb 0.63 -1.43 0.17 0.00 -0.02 0.00 0.00 33.50 32.84 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 -1.13 2.74 -1.80 3.55 0.00 -1.26 -4.88 120.51 117.74 2kcq n ALA 90 Ca 0.11 -0.72 -0.35 0.00 0.00 0.00 0.00 53.44 52.48 2kcq n ALA 90 Cb 0.42 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.66 4.19 0.17 0.00 1.70 -1.26 -4.68 118.95 117.40 2kcq s ARG 91 Ca 0.24 1.32 -0.32 0.00 -0.47 0.00 0.00 55.73 56.50 2kcq s ARG 91 Cb 0.15 -2.38 -0.11 0.00 -0.57 0.00 0.00 34.95 32.04 2kcq s ARG 91 CO 0.12 -0.09 1.79 -0.35 -1.08 0.00 0.00 175.30 175.69 2kcq n PRO 92 N -0.33 2.80 -0.73 3.89 -0.04 -1.26 -5.01 135.00 134.33 2kcq n PRO 92 Ca 0.06 1.02 -0.09 0.00 -0.04 0.00 0.00 63.50 64.44 2kcq n PRO 92 Cb 0.52 -2.89 0.06 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.86 0.11 -0.28 3.54 2.88 -1.26 -4.73 113.62 118.74 2kcq n SER 93 Ca 0.17 -1.19 -0.03 0.00 -1.33 0.00 0.00 58.87 56.49 2kcq n SER 93 Cb 0.36 -0.31 0.09 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.67 1.00 -0.32 -1.46 0.00 -1.99 0.34 119.26 115.16 2kcq h ALA 94 Ca -0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2kcq h ALA 94 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kcq h ALA 94 CO 0.10 0.30 -0.30 1.15 0.00 0.00 0.00 179.25 180.50 2kcq h THR 95 N 0.96 1.29 -0.86 0.00 2.02 -1.98 0.29 112.91 114.63 2kcq h THR 95 Ca 0.31 -1.47 0.03 0.00 0.77 0.00 0.00 66.41 66.05 2kcq h THR 95 Cb 0.00 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 2kcq h THR 95 CO -0.11 0.48 0.56 0.44 0.37 0.00 0.00 175.52 177.26 2kcq h ASP 96 N 0.54 0.94 -0.33 4.18 5.19 -1.81 0.20 116.42 125.34 2kcq h ASP 96 Ca 0.05 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2kcq h ASP 96 Cb 0.87 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 2kcq h ASP 96 CO 0.08 0.66 0.12 0.25 -3.12 0.00 0.00 179.24 177.22 2kcq h LEU 97 N 1.10 0.47 -1.14 1.55 7.12 -0.73 -2.36 115.31 121.32 2kcq h LEU 97 Ca 0.34 -0.19 -0.09 0.00 0.13 0.00 0.00 57.88 58.07 2kcq h LEU 97 Cb -0.03 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 2kcq h LEU 97 CO -0.10 0.53 -0.40 -0.33 -0.13 0.00 0.00 178.44 178.01 2kcq h GLU 98 N 0.38 0.05 0.00 1.25 5.08 -0.23 -2.56 114.58 118.55 2kcq h GLU 98 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2kcq h GLU 98 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kcq h GLU 98 CO -0.01 0.45 -0.22 0.93 -1.00 0.00 0.00 179.01 179.16 2kcq h GLU 99 N 0.04 0.00 -5.49 2.33 4.39 -0.51 -3.40 114.58 111.94 2kcq h GLU 99 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 2kcq h GLU 99 Cb 0.73 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 2kcq h GLU 99 CO 0.05 0.00 2.05 0.00 -1.16 0.00 0.00 179.01 179.96 2kcq n ALA 100 N -1.89 3.36 0.19 3.43 0.00 -0.90 -4.50 120.51 120.20 2kcq n ALA 100 Ca 0.04 -3.63 0.08 0.00 0.00 0.00 0.00 53.44 49.93 2kcq n ALA 100 Cb 0.46 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.23 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 6.57 0.00 -3.62 0.00 -1.04 -1.26 -4.85 114.28 110.08 2kcq n THR 101 Ca 0.48 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 2kcq n THR 101 Cb 0.45 0.37 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 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 -2.91 3.55 0.79 -1.42 -0.71 -1.26 -4.96 117.98 111.05 2kcq s PHE 102 Ca -0.03 -2.61 -0.11 0.00 -1.04 0.00 0.00 56.93 53.14 2kcq s PHE 102 Cb 0.10 -3.34 0.07 0.00 -1.21 0.00 0.00 43.02 38.64 2kcq s PHE 102 CO 0.64 -0.86 1.09 -1.25 -1.34 0.00 0.00 175.22 173.50 2kcq s PRO 103 N -0.22 2.12 0.00 1.99 0.04 -1.26 -4.18 135.00 133.48 2kcq s PRO 103 Ca 0.19 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2kcq s PRO 103 Cb -0.16 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kcq s PRO 103 CO -0.06 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2kcq n GLY 104 N -1.54 1.32 3.66 0.56 0.00 -1.26 -5.07 105.19 102.85 2kcq n GLY 104 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.21 2.95 -0.19 1.61 0.08 -1.26 -4.90 117.98 114.06 2kcq s PHE 105 Ca 0.00 -0.03 -0.18 0.00 0.12 0.00 0.00 56.93 56.84 2kcq s PHE 105 Cb 0.00 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 2kcq s PHE 105 CO 0.00 0.45 0.49 0.99 -0.10 0.00 0.00 175.22 177.05 2kcq s THR 106 N -1.21 5.14 -0.44 0.64 2.01 -1.13 -4.18 115.64 116.47 2kcq s THR 106 Ca 0.23 0.90 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 2kcq s THR 106 Cb -0.11 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.61 2kcq s THR 106 CO 0.15 0.21 0.44 -0.31 -0.69 0.00 0.00 174.62 174.41 2kcq s TYR 107 N 1.44 3.17 -0.35 4.92 2.02 0.12 -0.14 117.35 128.54 2kcq s TYR 107 Ca 0.23 -0.49 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 2kcq s TYR 107 Cb -0.15 -2.97 -0.01 0.00 -0.40 0.00 0.00 41.96 38.43 2kcq s TYR 107 CO 0.09 -0.74 0.38 0.08 -1.57 0.00 0.00 175.55 173.79 2kcq s VAL 108 N 2.07 5.15 -0.14 0.71 1.01 0.76 0.18 120.40 130.14 2kcq s VAL 108 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2kcq s VAL 108 Cb -0.18 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2kcq s VAL 108 CO 0.12 -0.12 -0.12 -0.63 0.00 0.00 0.00 175.10 174.35 2kcq s ILE 109 N 2.06 3.11 -0.11 2.22 1.01 0.15 0.32 121.20 129.96 2kcq s ILE 109 Ca 0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2kcq s ILE 109 Cb -0.16 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2kcq s ILE 109 CO 0.12 0.51 -0.05 0.54 0.00 0.00 0.00 174.94 176.06 2kcq s VAL 110 N 0.49 3.83 -0.45 2.92 0.11 -0.61 -0.40 120.40 126.29 2kcq s VAL 110 Ca -0.08 -0.41 -0.22 0.00 -2.93 0.00 0.00 61.98 58.34 2kcq s VAL 110 Cb -0.16 -2.61 0.03 0.00 -1.53 0.00 0.00 36.38 32.11 2kcq s VAL 110 CO 0.04 0.56 0.70 -0.44 -3.33 0.00 0.00 175.10 172.63 2kcq s SER 111 N -0.34 6.35 -0.29 3.54 0.01 -0.63 -0.83 113.70 121.52 2kcq s SER 111 Ca 0.05 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2kcq s SER 111 Cb -0.12 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2kcq s SER 111 CO 0.02 -0.84 0.11 -0.69 0.41 0.00 0.00 173.24 172.25 2kcq s VAL 112 N 3.02 4.37 -0.82 3.43 1.01 -0.90 -1.38 120.40 129.13 2kcq s VAL 112 Ca 0.25 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2kcq s VAL 112 Cb -0.13 -3.17 0.19 0.00 0.00 0.00 0.00 36.38 33.27 2kcq s VAL 112 CO 0.20 0.17 0.81 -0.13 0.00 0.00 0.00 175.10 176.15 2kcq s ARG 113 N 1.59 3.55 0.00 2.72 0.52 0.90 -2.83 118.95 125.40 2kcq s ARG 113 Ca 0.05 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.00 2kcq s ARG 113 Cb -0.16 -4.50 0.00 0.00 0.52 0.00 0.00 34.95 30.81 2kcq s ARG 113 CO 0.05 -1.38 0.00 -3.47 0.02 0.00 0.00 175.30 170.51 2kcq n ASP 114 N 4.57 0.00 0.00 0.23 2.03 -1.26 -1.22 116.55 120.91 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 0.47 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.88 0.48 3.47 0.27 0.00 -1.26 -5.05 105.19 101.21 2kcq n GLY 115 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.44 -0.19 4.61 0.00 -0.35 -4.68 121.76 124.59 2kcq s ALA 116 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 2kcq s ALA 116 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2kcq s ALA 116 CO 0.00 -1.65 1.50 -2.14 0.00 0.00 0.00 175.76 173.47 2kcq s PRO 117 N 2.12 3.98 -0.04 0.00 0.02 -1.26 -0.07 135.00 139.76 2kcq s PRO 117 Ca 0.11 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 62.78 2kcq s PRO 117 Cb -0.18 -3.94 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 2kcq s PRO 117 CO 0.13 -1.05 0.31 1.49 -0.33 0.00 0.00 177.00 177.54 2kcq h GLU 118 N 9.74 -0.18 -3.41 5.54 4.81 -1.61 -3.48 114.58 125.99 2kcq h GLU 118 Ca -0.32 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2kcq h GLU 118 Cb 1.14 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 2kcq h GLU 118 CO 0.99 -0.12 -0.24 0.00 -0.73 0.00 0.00 179.01 178.91 2kcq s ALA 119 N -3.20 -0.64 -0.02 2.92 0.00 -1.26 -5.05 121.76 114.51 2kcq s ALA 119 Ca -0.03 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.89 2kcq s ALA 119 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2kcq s ALA 119 CO 0.08 -0.46 -0.25 -0.48 0.00 0.00 0.00 175.76 174.65 2kcq s LEU 120 N -2.32 2.11 0.05 0.00 -0.00 -1.26 -1.61 118.68 115.65 2kcq s LEU 120 Ca -0.02 -0.45 0.07 0.00 -0.00 0.00 0.00 54.13 53.74 2kcq s LEU 120 Cb 0.01 -1.36 -0.03 0.00 -0.00 0.00 0.00 46.19 44.81 2kcq s LEU 120 CO -0.06 0.32 -0.21 0.42 -0.00 0.00 0.00 176.35 176.82 2kcq s THR 121 N -0.61 1.67 0.07 5.48 -4.23 0.47 -4.95 115.64 113.53 2kcq s THR 121 Ca 0.10 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2kcq s THR 121 Cb -0.10 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 2kcq s THR 121 CO -0.01 0.16 -0.01 0.00 -0.54 0.00 0.00 174.62 174.22 2kcq s ALA 122 N -0.86 3.25 -0.02 3.99 0.00 -1.16 0.30 121.76 127.26 2kcq s ALA 122 Ca 0.07 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2kcq s ALA 122 Cb -0.09 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2kcq s ALA 122 CO 0.02 0.68 -0.03 -1.58 0.00 0.00 0.00 175.76 174.85 2kcq s TRP 123 N -1.24 0.46 -0.20 0.00 0.52 0.13 0.39 118.94 119.00 2kcq s TRP 123 Ca 0.24 -0.08 -0.07 0.00 0.02 0.00 0.00 56.10 56.20 2kcq s TRP 123 Cb -0.12 -0.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 2kcq s TRP 123 CO 0.16 -0.08 0.05 0.00 0.02 0.00 0.00 176.95 177.10 2kcq s ALA 124 N 0.43 3.27 0.06 0.98 0.00 0.14 0.12 121.76 126.75 2kcq s ALA 124 Ca -0.05 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 2kcq s ALA 124 Cb -0.08 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 2kcq s ALA 124 CO -0.01 -0.03 0.90 -1.17 0.00 0.00 0.00 175.76 175.45 2kcq s LEU 125 N 0.78 4.44 0.30 0.00 2.96 -1.26 -0.47 118.68 125.43 2kcq s LEU 125 Ca 0.03 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.28 2kcq s LEU 125 Cb -0.14 -3.47 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 2kcq s LEU 125 CO 0.02 -0.10 1.54 0.00 -1.32 0.00 0.00 176.35 176.49 2kcq s ALA 126 N 0.30 3.69 0.45 5.97 0.00 -0.25 -4.51 121.76 127.42 2kcq s ALA 126 Ca 0.46 1.52 0.22 0.00 0.00 0.00 0.00 51.96 54.15 2kcq s ALA 126 Cb -0.22 -3.62 1.20 0.00 0.00 0.00 0.00 23.12 20.49 2kcq s ALA 126 CO 0.27 -0.94 1.86 -1.35 0.00 0.00 0.00 175.76 175.60 2kcq h PRO 127 N 4.57 0.27 -0.12 0.00 0.11 -1.95 0.27 132.00 135.16 2kcq h PRO 127 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kcq h PRO 127 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kcq h PRO 127 CO 0.76 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 2kcq n ASP 128 N -4.45 0.86 -1.17 -2.05 9.92 -1.26 -4.79 116.55 113.60 2kcq n ASP 128 Ca 0.19 -1.74 -0.15 0.00 -0.53 0.00 0.00 54.79 52.56 2kcq n ASP 128 Cb 0.79 -0.08 -0.07 0.00 -0.64 0.00 0.00 41.12 41.13 2kcq n ASP 128 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kcq n ARG 129 N -0.14 -1.20 -0.03 -1.24 3.00 0.95 -4.90 116.66 113.09 2kcq n ARG 129 Ca 0.11 1.03 -0.13 0.00 -0.01 0.00 0.00 57.85 58.85 2kcq n ARG 129 Cb 0.17 -5.24 -0.11 0.00 0.00 0.00 0.00 32.46 27.29 2kcq n ARG 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2kcq h SER 130 N 0.00 0.00 -5.27 0.55 4.64 -1.89 -3.48 113.55 108.10 2kcq h SER 130 Ca -0.31 -0.63 -0.16 0.00 -0.47 0.00 0.00 61.79 60.21 2kcq h SER 130 Cb 1.07 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2kcq h SER 130 CO 0.46 0.63 0.05 -1.83 -0.87 0.00 0.00 176.83 175.27 2kcq s GLU 131 N -3.69 2.14 0.04 4.77 -1.05 -1.26 -5.03 118.70 114.62 2kcq s GLU 131 Ca -0.17 -1.66 0.03 0.00 -0.15 0.00 0.00 54.97 53.03 2kcq s GLU 131 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2kcq s GLU 131 CO 0.68 -0.95 -0.00 -0.06 0.95 0.00 0.00 175.26 175.87 2kcq s PHE 132 N -2.50 3.03 -0.01 4.83 0.40 -1.26 -1.09 117.98 121.38 2kcq s PHE 132 Ca 0.23 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.65 2kcq s PHE 132 Cb -0.03 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 2kcq s PHE 132 CO 0.17 0.47 -0.20 -1.01 0.70 0.00 0.00 175.22 175.34 2kcq s HIS 133 N -1.19 1.80 0.28 0.36 3.76 0.38 -4.93 115.29 115.75 2kcq s HIS 133 Ca 0.23 -0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.56 2kcq s HIS 133 Cb -0.12 -1.16 -0.09 0.00 1.11 0.00 0.00 32.58 32.32 2kcq s HIS 133 CO 0.14 -0.03 0.86 0.50 -0.85 0.00 0.00 174.74 175.37 2kcq s ARG 134 N -0.48 4.47 0.15 1.40 3.52 -1.26 0.27 118.95 127.02 2kcq s ARG 134 Ca 0.08 1.16 0.09 0.00 -0.13 0.00 0.00 55.73 56.93 2kcq s ARG 134 Cb -0.08 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2kcq s ARG 134 CO -0.01 0.33 -0.19 -2.00 -0.81 0.00 0.00 175.30 172.62 2kcq s GLU 135 N -1.99 1.26 0.50 5.12 2.56 0.16 -4.80 118.70 121.50 2kcq s GLU 135 Ca 0.47 -1.36 0.01 0.00 0.00 0.00 0.00 54.97 54.09 2kcq s GLU 135 Cb -0.18 -1.38 -0.01 0.00 2.00 0.00 0.00 34.13 34.56 2kcq s GLU 135 CO 0.23 0.29 0.04 0.34 -0.56 0.00 0.00 175.26 175.60 2kcq s ASP 136 N -2.50 3.82 -0.36 -1.70 2.15 -1.26 -2.97 116.67 113.85 2kcq s ASP 136 Ca 0.14 -1.70 -0.18 0.00 0.43 0.00 0.00 52.55 51.23 2kcq s ASP 136 Cb -0.07 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 2kcq s ASP 136 CO 0.06 -0.93 0.53 -0.63 -0.17 0.00 0.00 175.17 174.04 2kcq s ILE 137 N -2.97 4.99 0.01 4.11 -1.09 -1.26 -4.79 121.20 120.20 2kcq s ILE 137 Ca 0.07 0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.84 2kcq s ILE 137 Cb 0.01 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 2kcq s ILE 137 CO 0.05 -0.28 -0.19 0.68 -1.23 0.00 0.00 174.94 173.97 2kcq s VAL 138 N 2.44 1.54 0.40 2.92 -7.23 -1.25 -5.07 120.40 114.14 2kcq s VAL 138 Ca 0.19 -0.99 -0.23 0.00 -1.81 0.00 0.00 61.98 59.15 2kcq s VAL 138 Cb -0.15 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 2kcq s VAL 138 CO 0.14 0.30 0.96 -0.13 -0.31 0.00 0.00 175.10 176.05 2kcq s ARG 139 N -0.81 4.31 -0.83 4.82 0.52 -1.26 -2.81 118.95 122.88 2kcq s ARG 139 Ca 0.07 1.21 -0.25 0.00 -0.52 0.00 0.00 55.73 56.24 2kcq s ARG 139 Cb -0.08 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 33.02 2kcq s ARG 139 CO 0.00 0.03 1.68 -2.14 0.02 0.00 0.00 175.30 174.90 2kcq s PRO 140 N -2.83 2.95 -0.20 3.54 0.02 -1.26 -4.90 135.00 132.30 2kcq s PRO 140 Ca 0.59 -0.28 0.01 0.00 0.02 0.00 0.00 61.00 61.34 2kcq s PRO 140 Cb -0.13 -4.82 0.04 0.00 0.02 0.00 0.00 34.50 29.62 2kcq s PRO 140 CO 0.17 -2.71 -0.10 0.34 -0.33 0.00 0.00 177.00 174.36 2kcq s ASP 141 N 6.51 3.47 -0.14 2.53 2.15 -1.26 -5.01 116.67 124.92 2kcq s ASP 141 Ca 0.57 -0.92 0.01 0.00 0.43 0.00 0.00 52.55 52.64 2kcq s ASP 141 Cb -0.07 -1.26 0.20 0.00 -0.30 0.00 0.00 42.92 41.49 2kcq s ASP 141 CO 0.05 -0.15 1.35 -0.81 -0.17 0.00 0.00 175.17 175.44 2kcq n PRO 142 N 4.67 1.39 0.00 4.34 -0.04 -1.26 -3.33 135.00 140.77 2kcq n PRO 142 Ca -0.15 -0.92 0.04 0.00 -0.04 0.00 0.00 63.50 62.43 2kcq n PRO 142 Cb 0.46 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.07 2.59 -2.33 0.54 1.02 -1.26 -4.96 120.64 116.31 2kcq n GLU 143 Ca 0.18 -0.45 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 2kcq n GLU 143 Cb 0.83 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 31.23 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 144 N -1.27 3.56 0.23 0.62 0.00 -1.21 -4.98 121.76 118.71 2kcq s ALA 144 Ca 0.06 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 2kcq s ALA 144 Cb 0.06 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 2kcq s ALA 144 CO 0.22 -0.92 1.53 -1.25 0.00 0.00 0.00 175.76 175.34 2kcq s PRO 145 N 2.57 4.21 0.39 0.00 0.04 -1.26 -4.98 135.00 135.98 2kcq s PRO 145 Ca 0.60 2.39 -0.25 0.00 0.04 0.00 0.00 61.00 63.79 2kcq s PRO 145 Cb -0.28 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 2kcq s PRO 145 CO 0.23 -0.54 1.09 -0.48 0.04 0.00 0.00 177.00 177.34 2kcq s LEU 146 N 0.18 4.19 0.35 -3.56 -0.00 -1.26 -5.01 118.68 113.57 2kcq s LEU 146 Ca 0.64 2.16 -0.24 0.00 -0.00 0.00 0.00 54.13 56.69 2kcq s LEU 146 Cb -0.44 -4.09 -0.10 0.00 -0.00 0.00 0.00 46.19 41.56 2kcq s LEU 146 CO 0.40 -0.53 0.93 -0.70 -0.00 0.00 0.00 176.35 176.44 2kcq s GLU 147 N -2.35 4.45 -0.55 1.48 -6.30 -1.26 -5.02 118.70 109.15 2kcq s GLU 147 Ca 0.57 1.23 0.04 0.00 -2.50 0.00 0.00 54.97 54.30 2kcq s GLU 147 Cb -0.26 -2.62 0.15 0.00 0.00 0.00 0.00 34.13 31.40 2kcq s GLU 147 CO 0.32 0.20 0.35 -3.38 0.02 0.00 0.00 175.26 172.77 2kcq s HIS 148 N -1.78 2.75 -0.07 5.30 0.00 -1.26 -5.08 115.29 115.16 2kcq s HIS 148 Ca 0.53 -2.93 -0.29 0.00 -3.00 0.00 0.00 55.06 49.36 2kcq s HIS 148 Cb -0.16 -2.30 -0.06 0.00 -4.00 0.00 0.00 32.58 26.06 2kcq s HIS 148 CO 0.20 -0.69 1.87 -3.38 -1.00 0.00 0.00 174.74 171.74 2kcq s HIS 149 N -0.50 1.57 -0.32 0.38 -3.43 -1.26 -4.96 115.29 106.76 2kcq s HIS 149 Ca 0.22 0.02 -0.02 0.00 -0.80 0.00 0.00 55.06 54.49 2kcq s HIS 149 Cb -0.14 -4.07 0.06 0.00 -1.43 0.00 0.00 32.58 27.00 2kcq s HIS 149 CO -0.08 -4.48 0.04 -1.01 -2.00 0.00 0.00 174.74 167.21 2kcq s HIS 150 N 5.08 3.36 -0.33 0.38 3.76 -1.26 -4.95 115.29 121.33 2kcq s HIS 150 Ca 0.84 -2.05 0.08 0.00 -0.15 0.00 0.00 55.06 53.77 2kcq s HIS 150 Cb -0.36 -2.38 0.45 0.00 1.11 0.00 0.00 32.58 31.40 2kcq s HIS 150 CO 0.35 -0.85 1.15 1.58 -0.85 0.00 0.00 174.74 176.13 2kcq n HIS 151 N 4.59 2.77 0.43 1.40 -0.00 -1.26 -4.77 115.22 118.38 2kcq n HIS 151 Ca -0.10 -2.48 0.11 0.00 0.46 0.00 0.00 57.72 55.71 2kcq n HIS 151 Cb 0.43 -0.26 0.44 0.00 -0.12 0.00 0.00 29.99 30.48 2kcq n HIS 151 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcq n HIS 152 N -0.62 0.59 -0.28 1.57 -0.00 -1.26 -5.37 115.22 109.85 2kcq n HIS 152 Ca 0.39 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.34 2kcq n HIS 152 Cb 0.87 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 2kcq n HIS 152 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06