#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 4.20 -0.04 2.12 3.01 0.13 -3.92 119.74 125.23 2kcq s LYS 2 Ca 0.00 0.64 -0.23 0.00 -1.01 0.00 0.00 55.97 55.37 2kcq s LYS 2 Cb 0.00 -3.29 0.05 0.00 -1.01 0.00 0.00 37.83 33.58 2kcq s LYS 2 CO 0.00 0.51 0.50 -0.08 0.51 0.00 0.00 175.35 176.78 2kcq s THR 3 N -0.61 0.03 0.13 2.17 -1.32 -0.43 -1.34 115.64 114.26 2kcq s THR 3 Ca 0.28 -0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 2kcq s THR 3 Cb -0.18 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 2kcq s THR 3 CO 0.16 -0.12 0.28 0.42 -2.21 0.00 0.00 174.62 173.15 2kcq s THR 4 N -1.16 5.32 0.41 5.08 -4.23 -1.26 -3.93 115.64 115.87 2kcq s THR 4 Ca -0.11 -0.51 0.16 0.00 -1.18 0.00 0.00 61.69 60.05 2kcq s THR 4 Cb -0.03 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.48 2kcq s THR 4 CO 0.07 -0.03 1.87 1.55 -0.54 0.00 0.00 174.62 177.53 2kcq h PRO 5 N 2.43 0.42 -0.58 3.99 0.13 -1.99 0.51 132.00 136.92 2kcq h PRO 5 Ca -0.47 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2kcq h PRO 5 Cb 1.18 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2kcq h PRO 5 CO 0.71 0.28 0.06 0.38 -0.23 0.00 0.00 178.00 179.20 2kcq h ASP 6 N 0.44 0.90 -0.20 1.44 2.03 -2.00 -2.20 116.42 116.84 2kcq h ASP 6 Ca 0.45 -0.21 -0.09 0.00 -0.73 0.00 0.00 57.03 56.45 2kcq h ASP 6 Cb 1.07 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 39.33 2kcq h ASP 6 CO -0.17 0.93 -0.23 0.40 -1.03 0.00 0.00 179.24 179.13 2kcq h ILE 7 N 0.89 1.33 -0.76 4.15 1.08 -1.33 -2.46 117.51 120.41 2kcq h ILE 7 Ca 0.18 -1.41 0.10 0.00 -0.39 0.00 0.00 64.86 63.33 2kcq h ILE 7 Cb 0.43 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.90 2kcq h ILE 7 CO 0.01 0.43 0.41 -0.07 -0.69 0.00 0.00 178.15 178.24 2kcq h LEU 8 N 0.17 0.55 -0.34 1.44 3.38 -1.13 0.08 115.31 119.48 2kcq h LEU 8 Ca 0.03 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2kcq h LEU 8 Cb 0.79 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kcq h LEU 8 CO 0.06 0.31 -0.17 -0.78 0.09 0.00 0.00 178.44 177.94 2kcq h ASP 9 N 0.68 0.73 -0.04 -0.43 3.58 -1.39 -2.65 116.42 116.90 2kcq h ASP 9 Ca 0.38 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kcq h ASP 9 Cb 0.38 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2kcq h ASP 9 CO -0.26 0.98 0.03 1.56 -2.88 0.00 0.00 179.24 178.67 2kcq h GLN 10 N 0.48 0.04 0.04 0.28 4.20 -0.84 -0.35 115.11 118.96 2kcq h GLN 10 Ca 0.07 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kcq h GLN 10 Cb 0.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2kcq h GLN 10 CO 0.05 0.03 -0.02 0.82 -0.67 0.00 0.00 178.83 179.04 2kcq h ILE 11 N 0.04 1.14 -0.33 2.54 2.04 -0.67 -0.79 117.51 121.49 2kcq h ILE 11 Ca 0.01 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 2kcq h ILE 11 Cb 0.01 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2kcq h ILE 11 CO -0.00 0.15 -0.11 0.08 0.00 0.00 0.00 178.15 178.27 2kcq h ARG 12 N -0.30 0.56 -0.61 2.37 0.11 -1.17 -1.95 114.38 113.40 2kcq h ARG 12 Ca -0.01 -0.16 -0.08 0.00 0.10 0.00 0.00 59.98 59.83 2kcq h ARG 12 Cb 0.28 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2kcq h ARG 12 CO 0.01 0.67 0.06 0.28 0.10 0.00 0.00 179.97 181.09 2kcq h VAL 13 N 0.52 1.26 0.00 0.08 2.07 -1.02 -2.17 116.25 116.98 2kcq h VAL 13 Ca 0.10 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2kcq h VAL 13 Cb 0.50 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2kcq h VAL 13 CO 0.03 0.38 -0.23 0.45 0.02 0.00 0.00 177.57 178.22 2kcq h HIS 14 N 0.94 0.00 -0.63 1.57 3.86 -0.53 0.14 115.15 120.49 2kcq h HIS 14 Ca 0.18 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2kcq h HIS 14 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2kcq h HIS 14 CO 0.03 0.23 0.10 0.78 0.86 0.00 0.00 177.93 179.94 2kcq h GLY 15 N 0.81 1.13 2.00 2.45 0.00 -0.75 0.15 103.07 108.86 2kcq h GLY 15 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 2kcq h GLY 15 CO 0.03 0.70 -0.43 0.00 0.00 0.00 0.00 176.54 176.83 2kcq h ALA 16 N 1.03 0.93 -0.10 3.60 0.00 -0.97 -2.25 119.26 121.51 2kcq h ALA 16 Ca 0.19 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2kcq h ALA 16 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kcq h ALA 16 CO 0.01 0.54 -0.84 0.22 0.00 0.00 0.00 179.25 179.18 2kcq h ASP 17 N 0.00 0.84 -0.24 0.00 3.58 -0.35 -3.27 116.42 116.98 2kcq h ASP 17 Ca -0.00 -0.59 -0.08 0.00 0.42 0.00 0.00 57.03 56.78 2kcq h ASP 17 Cb 1.01 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2kcq h ASP 17 CO 0.06 1.38 -0.15 0.00 -2.88 0.00 0.00 179.24 177.64 2kcq h ALA 18 N 0.59 0.34 -2.64 -0.78 0.00 -0.67 -3.45 119.26 112.66 2kcq h ALA 18 Ca -0.07 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 54.01 2kcq h ALA 18 Cb 1.47 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 19.26 2kcq h ALA 18 CO 0.17 0.23 0.44 0.71 0.00 0.00 0.00 179.25 180.80 2kcq s TYR 19 N -4.50 2.64 -1.75 0.00 1.51 -0.85 -1.05 117.35 113.35 2kcq s TYR 19 Ca -0.13 1.54 0.31 0.00 -1.01 0.00 0.00 57.07 57.77 2kcq s TYR 19 Cb 0.07 -3.33 1.72 0.00 -0.11 0.00 0.00 41.96 40.32 2kcq s TYR 19 CO 0.78 -1.67 2.14 -0.35 -1.11 0.00 0.00 175.55 175.34 2kcq n PRO 20 N -1.29 0.74 -0.96 -1.71 -0.04 -1.26 -4.90 135.00 125.58 2kcq n PRO 20 Ca 0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 2kcq n PRO 20 Cb 0.51 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.25 0.87 -0.67 0.54 0.41 -0.21 -4.95 118.70 112.44 2kcq s GLU 21 Ca 0.39 1.04 -0.19 0.00 -0.41 0.00 0.00 54.97 55.80 2kcq s GLU 21 Cb 0.21 -1.75 0.11 0.00 -1.78 0.00 0.00 34.13 30.92 2kcq s GLU 21 CO 0.41 -2.57 0.81 -1.83 -0.49 0.00 0.00 175.26 171.58 2kcq s GLU 22 N -4.77 3.17 -0.12 1.61 -1.05 -1.26 -4.90 118.70 111.38 2kcq s GLU 22 Ca 0.65 -1.39 -0.15 0.00 -0.15 0.00 0.00 54.97 53.93 2kcq s GLU 22 Cb -0.20 -4.36 0.04 0.00 -0.44 0.00 0.00 34.13 29.16 2kcq s GLU 22 CO 0.59 -1.60 0.39 0.20 0.95 0.00 0.00 175.26 175.79 2kcq s GLY 23 N 3.53 -0.28 0.00 -3.83 0.00 -1.26 -4.91 107.32 100.57 2kcq s GLY 23 Ca 0.16 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.86 2kcq s GLY 23 CO 0.04 0.80 0.00 0.00 0.00 0.00 0.00 173.10 173.94 2kcq s GLY 25 N -1.33 0.16 0.06 0.00 0.00 0.52 0.59 107.32 107.32 2kcq s GLY 25 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.36 2kcq s GLY 25 CO 0.00 -0.50 -0.03 -1.36 0.00 0.00 0.00 173.10 171.21 2kcq s PHE 26 N -1.44 2.94 -0.33 1.90 0.08 0.48 -0.23 117.98 121.38 2kcq s PHE 26 Ca -0.15 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 2kcq s PHE 26 Cb -0.09 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2kcq s PHE 26 CO 0.00 0.45 0.18 -0.51 -0.10 0.00 0.00 175.22 175.24 2kcq s LEU 27 N -2.02 4.34 -0.14 -0.37 1.43 0.71 -2.98 118.68 119.65 2kcq s LEU 27 Ca 0.23 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2kcq s LEU 27 Cb -0.11 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2kcq s LEU 27 CO 0.14 -0.26 -0.01 -0.76 0.23 0.00 0.00 176.35 175.70 2kcq s LEU 28 N 1.61 3.45 0.00 1.79 1.43 -0.51 -0.32 118.68 126.13 2kcq s LEU 28 Ca 0.04 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2kcq s LEU 28 Cb -0.18 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2kcq s LEU 28 CO 0.07 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2kcq n GLY 29 N 3.12 1.97 3.54 -3.19 0.00 -0.94 -0.02 105.19 109.67 2kcq n GLY 29 Ca -0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.55 2.85 -0.34 2.61 -4.23 -0.38 -3.23 115.64 110.36 2kcq s THR 30 Ca 0.00 -2.21 -0.20 0.00 -1.18 0.00 0.00 61.69 58.09 2kcq s THR 30 Cb 0.00 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 2kcq s THR 30 CO 0.00 -0.39 0.63 -0.69 -0.54 0.00 0.00 174.62 173.63 2kcq s VAL 31 N -2.44 4.91 0.85 2.29 1.01 -1.26 -0.71 120.40 125.05 2kcq s VAL 31 Ca 0.31 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 2kcq s VAL 31 Cb -0.05 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.38 2kcq s VAL 31 CO 0.17 -0.27 1.09 0.42 0.00 0.00 0.00 175.10 176.51 2kcq s THR 32 N 2.67 2.89 0.36 3.92 -4.23 0.12 -4.62 115.64 116.75 2kcq s THR 32 Ca 0.24 0.29 0.38 0.00 -1.18 0.00 0.00 61.69 61.43 2kcq s THR 32 Cb -0.15 -2.75 0.40 0.00 1.34 0.00 0.00 72.50 71.34 2kcq s THR 32 CO 0.14 -0.38 2.16 -0.78 -0.54 0.00 0.00 174.62 175.22 2kcq h ASP 33 N -1.41 0.00 1.36 3.99 3.58 -1.89 0.62 116.42 122.67 2kcq h ASP 33 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kcq h ASP 33 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2kcq h ASP 33 CO 0.53 0.00 0.00 0.44 -2.88 0.00 0.00 179.24 177.33 2kcq h ASP 34 N 0.00 0.00 0.00 2.28 3.32 -2.01 -3.46 116.42 116.55 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 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kcq h ASP 34 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2kcq n GLY 35 N 0.63 0.48 3.97 2.75 0.00 0.21 -5.08 105.19 108.16 2kcq n GLY 35 Ca 0.03 0.00 -0.22 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 -2.83 5.34 -0.05 1.61 2.15 -1.25 -4.82 116.67 116.82 2kcq s ASP 36 Ca 0.00 0.07 -0.03 0.00 0.43 0.00 0.00 52.55 53.02 2kcq s ASP 36 Cb 0.00 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.58 2kcq s ASP 36 CO 0.00 -1.10 0.12 0.54 -0.17 0.00 0.00 175.17 174.56 2kcq s ASN 37 N -4.40 6.01 -0.14 -0.34 2.20 -1.26 0.10 114.94 117.12 2kcq s ASN 37 Ca 0.56 0.29 0.00 0.00 -0.94 0.00 0.00 52.86 52.77 2kcq s ASN 37 Cb -0.10 -1.83 -0.01 0.00 -2.00 0.00 0.00 41.25 37.31 2kcq s ASN 37 CO 0.39 0.32 -0.15 -0.60 -2.94 0.00 0.00 177.10 174.12 2kcq s ARG 38 N -1.50 3.28 -0.20 3.55 3.52 0.12 0.19 118.95 127.90 2kcq s ARG 38 Ca 0.21 -0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 54.80 2kcq s ARG 38 Cb -0.12 -2.61 -0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2kcq s ARG 38 CO 0.11 0.11 0.95 0.08 -0.81 0.00 0.00 175.30 175.74 2kcq s VAL 39 N 0.60 4.77 0.00 7.11 1.01 -0.45 -1.25 120.40 132.18 2kcq s VAL 39 Ca -0.09 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2kcq s VAL 39 Cb -0.16 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2kcq s VAL 39 CO 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.05 2kcq n ALA 40 N 5.81 2.00 -2.78 5.51 0.00 -0.11 -4.63 120.51 126.30 2kcq n ALA 40 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 2kcq n ALA 40 Cb 0.47 0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.00 0.80 0.01 0.00 0.00 0.98 -5.00 121.76 116.55 2kcq s ALA 41 Ca 0.00 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2kcq s ALA 41 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2kcq s ALA 41 CO 0.00 0.07 -0.17 -0.51 0.00 0.00 0.00 175.76 175.15 2kcq s LEU 42 N -1.44 2.09 -0.17 0.00 1.43 -1.26 -1.42 118.68 117.90 2kcq s LEU 42 Ca -0.05 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2kcq s LEU 42 Cb -0.09 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.36 2kcq s LEU 42 CO 0.01 0.17 0.37 -2.28 0.23 0.00 0.00 176.35 174.84 2kcq s HIS 43 N -0.57 -0.64 0.03 0.29 2.46 -1.16 -5.01 115.29 110.70 2kcq s HIS 43 Ca 0.06 1.29 -0.17 0.00 0.47 0.00 0.00 55.06 56.71 2kcq s HIS 43 Cb -0.07 0.20 -0.06 0.00 -0.13 0.00 0.00 32.58 32.51 2kcq s HIS 43 CO 0.00 -0.41 0.48 -0.98 -2.47 0.00 0.00 174.74 171.36 2kcq s ARG 44 N 2.24 4.05 -1.26 2.88 3.03 -1.26 -0.39 118.95 128.24 2kcq s ARG 44 Ca -0.03 0.55 -0.12 0.00 2.03 0.00 0.00 55.73 58.17 2kcq s ARG 44 Cb -0.11 -3.24 -0.06 0.00 -1.03 0.00 0.00 34.95 30.51 2kcq s ARG 44 CO -0.11 0.65 2.41 0.00 -1.13 0.00 0.00 175.30 177.11 2kcq n ALA 45 N 1.84 5.68 -3.61 7.88 0.00 0.20 -4.75 120.51 127.76 2kcq n ALA 45 Ca -0.12 -3.16 -0.11 0.00 0.00 0.00 0.00 53.44 50.05 2kcq n ALA 45 Cb 0.52 -3.35 -0.10 0.00 0.00 0.00 0.00 19.45 16.51 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 3.18 -0.02 -0.20 0.00 2.01 -1.26 -4.14 115.64 115.21 2kcq s THR 46 Ca 0.55 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 2kcq s THR 46 Cb 0.14 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 2kcq s THR 46 CO -0.03 0.03 1.52 0.20 -0.69 0.00 0.00 174.62 175.64 2kcq s ASN 47 N 1.14 6.55 -0.58 3.53 0.02 -1.26 -4.92 114.94 119.42 2kcq s ASN 47 Ca -0.07 1.66 0.01 0.00 -1.02 0.00 0.00 52.86 53.43 2kcq s ASN 47 Cb -0.07 -2.53 0.15 0.00 0.02 0.00 0.00 41.25 38.81 2kcq s ASN 47 CO -0.10 -1.11 0.36 -0.13 0.02 0.00 0.00 177.10 176.14 2kcq s ARG 48 N 4.32 2.28 -0.22 -0.60 3.00 -1.26 -5.05 118.95 121.43 2kcq s ARG 48 Ca 0.67 -2.61 -0.04 0.00 0.00 0.00 0.00 55.73 53.75 2kcq s ARG 48 Cb -0.24 -3.52 0.07 0.00 0.00 0.00 0.00 34.95 31.26 2kcq s ARG 48 CO 0.26 -1.14 0.09 0.50 0.00 0.00 0.00 175.30 175.01 2kcq s ARG 49 N -0.24 0.26 0.72 3.54 3.00 -1.26 -5.13 118.95 119.84 2kcq s ARG 49 Ca 0.17 -0.34 -0.00 0.00 -1.00 0.00 0.00 55.73 54.56 2kcq s ARG 49 Cb -0.23 -1.72 0.13 0.00 0.00 0.00 0.00 34.95 33.13 2kcq s ARG 49 CO -0.02 -0.78 0.99 -1.12 0.00 0.00 0.00 175.30 174.37 2kcq s SER 50 N 2.04 4.35 -1.18 -2.12 0.01 -1.26 -4.99 113.70 110.55 2kcq s SER 50 Ca 0.04 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 2kcq s SER 50 Cb -0.16 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.19 2kcq s SER 50 CO -0.18 -1.86 1.63 -1.61 0.41 0.00 0.00 173.24 171.63 2kcq s GLU 51 N -5.12 3.79 -0.10 12.44 2.02 -1.26 -4.95 118.70 125.52 2kcq s GLU 51 Ca 0.66 -1.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.00 2kcq s GLU 51 Cb -0.05 -5.46 -0.03 0.00 0.10 0.00 0.00 34.13 28.69 2kcq s GLU 51 CO 0.44 -2.28 0.02 1.14 0.02 0.00 0.00 175.26 174.60 2kcq s GLN 52 N 4.59 3.13 -0.85 1.61 -2.07 -1.26 -5.06 119.66 119.75 2kcq s GLN 52 Ca 0.51 -0.38 -0.15 0.00 -1.82 0.00 0.00 55.36 53.52 2kcq s GLN 52 Cb 0.02 -2.86 0.20 0.00 -1.09 0.00 0.00 33.01 29.27 2kcq s GLN 52 CO 0.01 0.66 0.86 0.50 -1.32 0.00 0.00 175.29 176.00 2kcq s ARG 53 N -0.75 3.60 0.25 9.60 3.52 -1.26 -4.95 118.95 128.95 2kcq s ARG 53 Ca 0.12 -2.27 -0.22 0.00 -0.13 0.00 0.00 55.73 53.22 2kcq s ARG 53 Cb -0.12 -4.55 0.03 0.00 -1.56 0.00 0.00 34.95 28.75 2kcq s ARG 53 CO 0.02 -1.42 0.77 -0.08 -0.81 0.00 0.00 175.30 173.79 2kcq s THR 54 N 0.83 0.00 0.27 4.11 -1.32 -1.26 -5.16 115.64 113.11 2kcq s THR 54 Ca 0.22 -0.89 -0.22 0.00 -1.21 0.00 0.00 61.69 59.58 2kcq s THR 54 Cb -0.09 -1.97 -0.09 0.00 -1.51 0.00 0.00 72.50 68.84 2kcq s THR 54 CO -0.09 0.00 0.82 -0.13 -2.21 0.00 0.00 174.62 173.01 2kcq s ARG 55 N -3.76 4.39 0.24 7.08 0.52 -1.26 -5.05 118.95 121.10 2kcq s ARG 55 Ca 0.11 1.06 -0.09 0.00 -0.52 0.00 0.00 55.73 56.29 2kcq s ARG 55 Cb -0.05 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 2kcq s ARG 55 CO 0.05 0.34 0.55 1.03 0.02 0.00 0.00 175.30 177.29 2kcq s ARG 56 N -2.02 3.77 0.13 3.54 3.00 -1.26 -4.99 118.95 121.14 2kcq s ARG 56 Ca 0.46 0.23 -0.12 0.00 0.00 0.00 0.00 55.73 56.30 2kcq s ARG 56 Cb -0.17 -2.65 -0.03 0.00 0.00 0.00 0.00 34.95 32.10 2kcq s ARG 56 CO 0.22 0.31 1.51 1.88 0.00 0.00 0.00 175.30 179.22 2kcq h TYR 57 N 2.44 0.99 0.00 -0.53 0.05 -2.03 -3.46 116.97 114.42 2kcq h TYR 57 Ca -0.47 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.07 2kcq h TYR 57 Cb 1.17 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2kcq h TYR 57 CO 0.61 1.02 0.00 -1.91 -1.05 0.00 0.00 178.16 176.83 2kcq n GLU 58 N -4.22 0.00 -3.70 4.88 2.13 -1.26 -5.10 120.64 113.36 2kcq n GLU 58 Ca -0.01 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 2kcq n GLU 58 Cb 0.43 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.13 2kcq n GLU 58 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2kcq s LEU 59 N -5.28 -0.13 -0.16 4.31 2.96 -1.26 -5.15 118.68 113.97 2kcq s LEU 59 Ca 0.00 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 2kcq s LEU 59 Cb 0.00 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.49 2kcq s LEU 59 CO 0.00 -0.66 0.26 0.28 -1.32 0.00 0.00 176.35 174.91 2kcq s THR 60 N -2.93 5.33 0.00 3.68 -1.32 -1.26 -4.81 115.64 114.33 2kcq s THR 60 Ca 0.13 0.48 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2kcq s THR 60 Cb 0.01 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2kcq s THR 60 CO -0.00 0.41 0.00 0.00 -2.21 0.00 0.00 174.62 172.82 2kcq n ALA 61 N 3.49 0.00 -1.11 11.08 0.00 -1.26 -5.03 120.51 127.68 2kcq n ALA 61 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2kcq n ALA 61 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.33 -4.76 -4.78 0.00 9.92 -1.26 -4.71 116.55 109.63 2kcq n ASP 62 Ca 0.00 0.10 -0.30 0.00 -0.53 0.00 0.00 54.79 54.06 2kcq n ASP 62 Cb 0.00 -2.61 0.11 0.00 -0.64 0.00 0.00 41.12 37.98 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kcq s ASP 63 N -2.26 4.04 0.21 -2.24 2.15 -1.26 -4.36 116.67 112.95 2kcq s ASP 63 Ca 0.00 1.28 -0.09 0.00 0.43 0.00 0.00 52.55 54.16 2kcq s ASP 63 Cb 0.00 -1.97 0.29 0.00 -0.30 0.00 0.00 42.92 40.94 2kcq s ASP 63 CO 0.00 -2.25 1.73 0.22 -0.17 0.00 0.00 175.17 174.70 2kcq h TYR 64 N -1.28 0.32 -0.68 -5.34 3.20 -1.98 0.11 116.97 111.32 2kcq h TYR 64 Ca -0.48 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.36 2kcq h TYR 64 Cb 1.29 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 2kcq h TYR 64 CO 0.42 0.05 0.19 -0.09 -1.64 0.00 0.00 178.16 177.08 2kcq h ARG 65 N 0.35 1.08 -0.69 1.82 2.43 -1.98 0.41 114.38 117.80 2kcq h ARG 65 Ca 0.31 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2kcq h ARG 65 Cb 0.42 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2kcq h ARG 65 CO -0.34 0.95 0.27 0.00 -1.51 0.00 0.00 179.97 179.34 2kcq h ALA 66 N 1.08 1.18 -0.21 2.80 0.00 -1.65 -0.14 119.26 122.33 2kcq h ALA 66 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2kcq h ALA 66 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kcq h ALA 66 CO -0.00 0.60 -0.39 0.00 0.00 0.00 0.00 179.25 179.45 2kcq h ALA 67 N 1.30 0.94 -0.34 0.00 0.00 -0.11 -0.85 119.26 120.20 2kcq h ALA 67 Ca 0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kcq h ALA 67 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kcq h ALA 67 CO -0.02 0.62 0.18 0.22 0.00 0.00 0.00 179.25 180.26 2kcq h ASP 68 N 0.39 0.42 -0.32 0.00 3.58 0.46 0.29 116.42 121.25 2kcq h ASP 68 Ca 0.04 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2kcq h ASP 68 Cb 0.86 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2kcq h ASP 68 CO 0.07 0.39 0.08 0.00 -2.88 0.00 0.00 179.24 176.90 2kcq h ALA 69 N 1.05 0.43 -0.29 -0.78 0.00 -0.91 -1.69 119.26 117.07 2kcq h ALA 69 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kcq h ALA 69 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2kcq h ALA 69 CO -0.02 0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.37 2kcq h ALA 70 N 0.92 1.57 -0.05 0.00 0.00 -0.98 -0.01 119.26 120.70 2kcq h ALA 70 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kcq h ALA 70 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kcq h ALA 70 CO 0.00 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.61 2kcq h ALA 71 N 1.66 0.07 -0.54 0.00 0.00 -0.04 -1.78 119.26 118.63 2kcq h ALA 71 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kcq h ALA 71 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kcq h ALA 71 CO -0.00 -0.39 0.19 1.96 0.00 0.00 0.00 179.25 181.01 2kcq h GLN 72 N -0.00 0.79 -0.53 0.00 1.08 -0.67 0.61 115.11 116.39 2kcq h GLN 72 Ca 0.02 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2kcq h GLN 72 Cb 0.08 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2kcq h GLN 72 CO -0.00 0.67 0.35 0.93 -0.95 0.00 0.00 178.83 179.82 2kcq h GLU 73 N 0.77 0.59 -0.01 1.46 4.39 -0.77 -0.99 114.58 120.02 2kcq h GLU 73 Ca 0.18 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2kcq h GLU 73 Cb 0.19 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kcq h GLU 73 CO -0.01 0.39 -0.26 1.04 -1.16 0.00 0.00 179.01 179.01 2kcq n GLN 74 N -4.47 1.08 -1.91 2.33 6.02 -0.47 -4.05 117.38 115.91 2kcq n GLN 74 Ca 0.06 -0.71 -0.04 0.00 -0.01 0.00 0.00 57.00 56.30 2kcq n GLN 74 Cb 0.14 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 1.33 0.29 1.17 1.08 0.00 0.28 -4.69 105.19 104.65 2kcq n GLY 75 Ca 0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.51 0.00 -4.09 0.99 4.77 0.19 -1.40 117.00 116.94 2kcq n LEU 76 Ca -0.04 -1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 54.75 2kcq n LEU 76 Cb 0.47 0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2kcq n LEU 76 CO 0.05 -0.16 0.11 1.51 -1.33 0.00 0.00 177.39 177.57 2kcq s ASP 77 N -1.88 0.70 -0.59 -1.43 -4.77 -1.20 -3.24 116.67 104.26 2kcq s ASP 77 Ca 0.04 -1.39 -0.28 0.00 -3.30 0.00 0.00 52.55 47.62 2kcq s ASP 77 Cb 0.00 0.62 0.03 0.00 -1.09 0.00 0.00 42.92 42.49 2kcq s ASP 77 CO 0.03 -1.23 1.17 -0.69 0.70 0.00 0.00 175.17 175.15 2kcq s VAL 78 N -3.33 4.04 -0.98 2.11 1.01 -1.26 -2.21 120.40 119.79 2kcq s VAL 78 Ca 0.30 0.78 0.23 0.00 0.00 0.00 0.00 61.98 63.29 2kcq s VAL 78 Cb 0.00 -4.72 -0.12 0.00 0.00 0.00 0.00 36.38 31.54 2kcq s VAL 78 CO 0.18 -1.36 1.13 1.33 0.00 0.00 0.00 175.10 176.38 2kcq n VAL 79 N 6.59 0.01 -3.86 2.92 0.24 0.57 -5.00 118.33 119.79 2kcq n VAL 79 Ca 0.07 -0.01 0.01 0.00 -2.04 0.00 0.00 64.34 62.37 2kcq n VAL 79 Cb 0.49 0.63 0.01 0.00 -1.47 0.00 0.00 33.84 33.49 2kcq n VAL 79 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kcq s GLY 80 N -3.04 -0.15 0.05 7.63 0.00 -1.12 -2.66 107.32 108.03 2kcq s GLY 80 Ca 0.09 0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.93 2kcq s GLY 80 CO 0.79 3.33 -0.04 0.14 0.00 0.00 0.00 173.10 177.32 2kcq s VAL 81 N -2.21 0.25 -0.01 1.40 1.01 -0.52 -0.20 120.40 120.12 2kcq s VAL 81 Ca 0.23 -1.53 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 2kcq s VAL 81 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2kcq s VAL 81 CO -0.00 -0.81 0.14 -0.72 0.00 0.00 0.00 175.10 173.71 2kcq s TYR 82 N -3.06 0.00 -0.08 5.22 -0.85 0.68 -1.28 117.35 117.98 2kcq s TYR 82 Ca 0.00 -0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.43 2kcq s TYR 82 Cb 0.02 -0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.35 2kcq s TYR 82 CO -0.06 -0.24 0.25 -3.38 -1.52 0.00 0.00 175.55 170.60 2kcq s HIS 83 N -1.08 -0.24 -0.06 -3.49 -3.43 -1.06 -0.35 115.29 105.58 2kcq s HIS 83 Ca -0.12 0.55 -0.02 0.00 -0.80 0.00 0.00 55.06 54.68 2kcq s HIS 83 Cb -0.06 0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.13 2kcq s HIS 83 CO 0.01 -0.19 0.02 -1.12 -2.00 0.00 0.00 174.74 171.47 2kcq s SER 84 N -0.23 5.38 -0.03 7.38 0.01 -1.26 -3.88 113.70 121.07 2kcq s SER 84 Ca -0.03 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 2kcq s SER 84 Cb -0.03 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.69 2kcq s SER 84 CO 0.01 0.35 0.14 -1.38 0.41 0.00 0.00 173.24 172.77 2kcq s HIS 85 N -0.97 -0.08 -1.49 2.43 -3.43 -1.26 -4.97 115.29 105.52 2kcq s HIS 85 Ca 0.16 0.19 -0.10 0.00 -0.80 0.00 0.00 55.06 54.52 2kcq s HIS 85 Cb -0.11 0.01 0.01 0.00 -1.43 0.00 0.00 32.58 31.06 2kcq s HIS 85 CO 0.05 -0.15 2.56 -0.35 -2.00 0.00 0.00 174.74 174.86 2kcq n PRO 86 N 2.45 3.73 -3.49 -0.38 -0.05 -1.26 -4.45 135.00 131.56 2kcq n PRO 86 Ca -0.16 -2.72 0.00 0.00 -0.05 0.00 0.00 63.50 60.57 2kcq n PRO 86 Cb 0.58 -2.87 -0.04 0.00 -0.05 0.00 0.00 33.50 31.11 2kcq n PRO 86 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 2kcq s ASP 87 N 1.81 -0.72 0.40 3.54 2.15 -1.26 -5.09 116.67 117.50 2kcq s ASP 87 Ca 0.58 1.01 0.00 0.00 0.43 0.00 0.00 52.55 54.57 2kcq s ASP 87 Cb 0.16 1.77 0.00 0.00 -0.30 0.00 0.00 42.92 44.56 2kcq s ASP 87 CO -0.07 -0.14 0.00 1.41 -0.17 0.00 0.00 175.17 176.20 2kcq n HIS 88 N 4.97 -3.27 0.30 -5.34 8.25 -1.26 -4.84 115.22 114.02 2kcq n HIS 88 Ca -0.11 1.75 -0.17 0.00 -0.26 0.00 0.00 57.72 58.93 2kcq n HIS 88 Cb 0.52 -2.87 -0.08 0.00 1.12 0.00 0.00 29.99 28.68 2kcq n HIS 88 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kcq h PRO 89 N 1.03 -0.76 -0.73 -0.41 0.11 -1.99 -3.43 132.00 125.81 2kcq h PRO 89 Ca 0.00 0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2kcq h PRO 89 Cb 0.13 0.17 -0.17 0.00 0.11 0.00 0.00 31.00 31.25 2kcq h PRO 89 CO 0.00 -0.51 -0.36 0.00 -0.21 0.00 0.00 178.00 176.93 2kcq s ALA 90 N -6.05 -2.95 -0.17 -0.75 0.00 -1.26 -3.51 121.76 107.06 2kcq s ALA 90 Ca -0.17 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 2kcq s ALA 90 Cb 0.04 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.47 2kcq s ALA 90 CO 0.63 -2.33 0.97 -0.98 0.00 0.00 0.00 175.76 174.05 2kcq s ARG 91 N 1.22 0.62 0.61 0.00 1.04 -1.26 -4.91 118.95 116.26 2kcq s ARG 91 Ca 0.24 0.24 -0.19 0.00 -1.04 0.00 0.00 55.73 54.99 2kcq s ARG 91 Cb 0.02 0.30 -0.03 0.00 -2.04 0.00 0.00 34.95 33.20 2kcq s ARG 91 CO -0.08 -0.18 1.24 -2.14 -0.04 0.00 0.00 175.30 174.11 2kcq s PRO 92 N -0.86 2.86 0.03 3.89 0.02 -1.26 -4.96 135.00 134.72 2kcq s PRO 92 Ca -0.02 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2kcq s PRO 92 Cb -0.01 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.59 2kcq s PRO 92 CO 0.01 -1.31 0.04 0.45 -0.33 0.00 0.00 177.00 175.86 2kcq n SER 93 N -1.65 0.09 -0.03 2.53 2.88 -1.26 -4.92 113.62 111.27 2kcq n SER 93 Ca 0.14 -1.07 -0.13 0.00 -1.33 0.00 0.00 58.87 56.48 2kcq n SER 93 Cb 0.49 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.14 0.02 -0.04 -1.46 0.00 -1.98 -2.59 119.26 113.34 2kcq h ALA 94 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 94 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kcq h ALA 94 CO 0.02 -0.15 -0.01 1.15 0.00 0.00 0.00 179.25 180.26 2kcq h THR 95 N -0.54 1.28 -0.00 0.00 2.02 -1.98 -0.54 112.91 113.16 2kcq h THR 95 Ca -0.00 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 2kcq h THR 95 Cb 0.64 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2kcq h THR 95 CO 0.01 0.23 -0.38 -2.24 0.37 0.00 0.00 175.52 173.51 2kcq h ASP 96 N -0.25 0.00 -0.52 4.18 2.03 -1.97 0.34 116.42 120.22 2kcq h ASP 96 Ca 0.01 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.27 2kcq h ASP 96 Cb 0.38 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 2kcq h ASP 96 CO 0.00 0.38 0.16 0.25 -1.03 0.00 0.00 179.24 179.00 2kcq h LEU 97 N 0.00 0.77 -0.95 0.15 6.46 -1.31 -2.75 115.31 117.67 2kcq h LEU 97 Ca -0.00 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.44 2kcq h LEU 97 Cb 0.67 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2kcq h LEU 97 CO 0.05 0.78 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.93 2kcq h GLU 98 N 0.72 0.28 -0.01 1.25 5.08 0.26 -2.61 114.58 119.55 2kcq h GLU 98 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2kcq h GLU 98 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kcq h GLU 98 CO -0.00 0.62 0.00 0.39 -1.00 0.00 0.00 179.01 179.02 2kcq n GLU 99 N -4.05 1.17 -2.39 2.33 -0.58 0.11 -4.70 120.64 112.53 2kcq n GLU 99 Ca -0.01 -0.25 -0.38 0.00 -0.42 0.00 0.00 57.16 56.10 2kcq n GLU 99 Cb 0.46 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq s ALA 100 N -1.99 2.45 -0.49 0.62 0.00 -0.99 -4.79 121.76 116.58 2kcq s ALA 100 Ca 0.42 -1.64 0.24 0.00 0.00 0.00 0.00 51.96 50.97 2kcq s ALA 100 Cb 0.20 -4.43 0.37 0.00 0.00 0.00 0.00 23.12 19.27 2kcq s ALA 100 CO 0.33 -3.78 1.49 1.15 0.00 0.00 0.00 175.76 174.95 2kcq h THR 101 N 6.67 0.00 -3.56 0.00 2.02 -1.88 -3.42 112.91 112.74 2kcq h THR 101 Ca -0.02 -0.81 -0.71 0.00 0.77 0.00 0.00 66.41 65.63 2kcq h THR 101 Cb 1.04 1.65 -0.34 0.00 -1.74 0.00 0.00 68.15 68.76 2kcq h THR 101 CO 1.32 0.00 -0.24 -0.36 0.37 0.00 0.00 175.52 176.61 2kcq s PHE 102 N -3.21 3.54 -1.93 3.16 0.08 -1.26 -4.90 117.98 113.46 2kcq s PHE 102 Ca 0.06 -2.66 0.17 0.00 0.12 0.00 0.00 56.93 54.62 2kcq s PHE 102 Cb 0.09 -3.31 0.99 0.00 -0.57 0.00 0.00 43.02 40.22 2kcq s PHE 102 CO 0.69 -0.85 1.42 -2.30 -0.10 0.00 0.00 175.22 174.08 2kcq n PRO 103 N 3.34 0.49 -0.16 0.24 -0.02 -1.26 -2.12 135.00 135.51 2kcq n PRO 103 Ca 0.11 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 2kcq n PRO 103 Cb 0.39 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.54 2kcq n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcq n GLY 104 N 0.06 1.70 3.81 -1.23 0.00 -1.26 -4.60 105.19 103.67 2kcq n GLY 104 Ca 0.12 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.18 3.20 -0.22 1.61 0.40 -0.90 -4.94 117.98 115.95 2kcq s PHE 105 Ca 0.30 0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.49 2kcq s PHE 105 Cb 0.17 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 2kcq s PHE 105 CO 0.23 0.52 0.48 0.99 0.70 0.00 0.00 175.22 178.15 2kcq s THR 106 N -1.63 5.12 -0.31 0.64 2.01 -1.09 -4.33 115.64 116.06 2kcq s THR 106 Ca 0.31 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.05 2kcq s THR 106 Cb -0.11 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2kcq s THR 106 CO 0.24 0.17 0.20 -0.31 -0.69 0.00 0.00 174.62 174.22 2kcq s TYR 107 N 1.78 3.21 -0.20 4.92 1.51 -0.29 -1.43 117.35 126.84 2kcq s TYR 107 Ca 0.22 -0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 55.94 2kcq s TYR 107 Cb -0.15 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2kcq s TYR 107 CO 0.09 -0.32 0.31 0.08 -1.11 0.00 0.00 175.55 174.60 2kcq s VAL 108 N 1.71 5.27 -0.20 0.71 1.01 -0.41 -0.40 120.40 128.08 2kcq s VAL 108 Ca 0.06 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2kcq s VAL 108 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2kcq s VAL 108 CO 0.09 0.31 -0.02 -0.63 0.00 0.00 0.00 175.10 174.85 2kcq s ILE 109 N 1.06 3.76 -0.02 2.22 -1.09 0.86 -2.58 121.20 125.41 2kcq s ILE 109 Ca 0.15 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2kcq s ILE 109 Cb -0.14 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.04 2kcq s ILE 109 CO 0.06 0.43 -0.14 0.54 -1.23 0.00 0.00 174.94 174.60 2kcq s VAL 110 N 1.09 1.13 -0.56 2.92 0.11 -1.25 -0.29 120.40 123.55 2kcq s VAL 110 Ca 0.02 -0.58 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 2kcq s VAL 110 Cb -0.14 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2kcq s VAL 110 CO 0.01 0.33 1.16 -0.55 -3.33 0.00 0.00 175.10 172.72 2kcq s SER 111 N -0.10 6.47 -0.19 3.54 0.15 0.94 -4.02 113.70 120.49 2kcq s SER 111 Ca 0.01 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2kcq s SER 111 Cb -0.08 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2kcq s SER 111 CO 0.00 -1.42 -0.08 -0.69 1.20 0.00 0.00 173.24 172.25 2kcq s VAL 112 N 4.79 1.48 -0.65 4.45 1.01 -1.26 0.70 120.40 130.93 2kcq s VAL 112 Ca 0.43 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2kcq s VAL 112 Cb -0.08 -1.60 0.17 0.00 0.00 0.00 0.00 36.38 34.87 2kcq s VAL 112 CO 0.26 0.14 0.52 -0.60 0.00 0.00 0.00 175.10 175.42 2kcq s ARG 113 N 1.47 2.87 -1.77 2.72 3.52 0.44 -4.01 118.95 124.19 2kcq s ARG 113 Ca -0.01 -2.31 0.00 0.00 -0.13 0.00 0.00 55.73 53.28 2kcq s ARG 113 Cb -0.16 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 2kcq s ARG 113 CO -0.08 -1.22 0.00 -3.47 -0.81 0.00 0.00 175.30 169.72 2kcq n ASP 114 N 4.02 -5.85 0.00 -2.12 2.03 -1.26 -2.14 116.55 111.22 2kcq n ASP 114 Ca 0.05 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2kcq n ASP 114 Cb 0.41 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 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 -1.01 2.20 3.53 0.27 0.00 -1.26 -4.94 105.19 103.97 2kcq n GLY 115 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.04 3.35 -0.35 4.61 0.00 -0.91 -4.46 121.76 121.96 2kcq s ALA 116 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 2kcq s ALA 116 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2kcq s ALA 116 CO 0.00 -1.74 0.92 -1.25 0.00 0.00 0.00 175.76 173.69 2kcq s PRO 117 N 2.88 3.90 0.00 0.00 0.05 -1.26 -0.42 135.00 140.15 2kcq s PRO 117 Ca 0.24 0.66 0.00 0.00 0.05 0.00 0.00 61.00 61.95 2kcq s PRO 117 Cb -0.14 -3.78 0.00 0.00 0.05 0.00 0.00 34.50 30.63 2kcq s PRO 117 CO 0.19 -0.89 0.00 -1.91 0.05 0.00 0.00 177.00 174.44 2kcq n GLU 118 N 6.67 0.00 -4.08 4.56 2.13 0.22 -4.99 120.64 125.15 2kcq n GLU 118 Ca 0.07 0.06 -0.10 0.00 0.66 0.00 0.00 57.16 57.85 2kcq n GLU 118 Cb 0.48 -0.39 -0.11 0.00 0.27 0.00 0.00 31.44 31.69 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 -3.76 0.58 0.04 4.31 0.00 -1.25 -4.96 121.76 116.71 2kcq s ALA 119 Ca 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.04 2kcq s ALA 119 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2kcq s ALA 119 CO 0.00 -0.20 -0.25 -0.51 0.00 0.00 0.00 175.76 174.80 2kcq s LEU 120 N -2.31 2.25 0.01 0.00 1.02 -1.26 -0.04 118.68 118.34 2kcq s LEU 120 Ca -0.01 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2kcq s LEU 120 Cb -0.01 -1.33 -0.01 0.00 0.02 0.00 0.00 46.19 44.86 2kcq s LEU 120 CO -0.04 0.26 -0.03 0.42 0.02 0.00 0.00 176.35 176.98 2kcq s THR 121 N -0.81 0.20 -0.12 5.49 -4.23 0.60 -4.99 115.64 111.78 2kcq s THR 121 Ca 0.12 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2kcq s THR 121 Cb -0.10 -0.23 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 2kcq s THR 121 CO 0.02 -0.12 -0.05 0.00 -0.54 0.00 0.00 174.62 173.93 2kcq s ALA 122 N -0.51 2.99 0.02 3.99 0.00 -1.26 -0.10 121.76 126.90 2kcq s ALA 122 Ca -0.04 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2kcq s ALA 122 Cb -0.04 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2kcq s ALA 122 CO -0.00 0.38 -0.15 -1.58 0.00 0.00 0.00 175.76 174.41 2kcq s TRP 123 N -0.16 1.32 -0.16 0.00 0.52 0.46 -2.59 118.94 118.33 2kcq s TRP 123 Ca 0.03 -0.31 -0.04 0.00 0.02 0.00 0.00 56.10 55.79 2kcq s TRP 123 Cb -0.13 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 2kcq s TRP 123 CO 0.03 0.02 -0.03 0.00 0.02 0.00 0.00 176.95 176.99 2kcq s ALA 124 N -0.65 3.01 0.09 0.98 0.00 0.17 -1.14 121.76 124.23 2kcq s ALA 124 Ca 0.04 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2kcq s ALA 124 Cb -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 2kcq s ALA 124 CO 0.01 0.15 0.92 -1.17 0.00 0.00 0.00 175.76 175.67 2kcq s LEU 125 N 0.46 4.49 0.43 0.00 2.96 -1.26 -0.46 118.68 125.29 2kcq s LEU 125 Ca -0.03 1.71 -0.26 0.00 -0.22 0.00 0.00 54.13 55.33 2kcq s LEU 125 Cb -0.14 -3.50 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 2kcq s LEU 125 CO 0.03 -0.05 1.41 0.00 -1.32 0.00 0.00 176.35 176.42 2kcq s ALA 126 N 0.00 3.30 0.57 5.97 0.00 -0.99 -4.81 121.76 125.81 2kcq s ALA 126 Ca 0.45 1.44 0.27 0.00 0.00 0.00 0.00 51.96 54.11 2kcq s ALA 126 Cb -0.23 -3.57 1.70 0.00 0.00 0.00 0.00 23.12 21.02 2kcq s ALA 126 CO 0.28 -1.09 2.23 -1.35 0.00 0.00 0.00 175.76 175.83 2kcq h PRO 127 N 2.52 0.00 0.00 0.00 0.11 -1.92 0.29 132.00 132.99 2kcq h PRO 127 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kcq h PRO 127 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kcq h PRO 127 CO 0.62 0.00 -0.36 -0.40 -0.21 0.00 0.00 178.00 177.65 2kcq n ASP 128 N -4.01 0.42 -3.19 -2.05 5.75 -1.26 -4.99 116.55 107.22 2kcq n ASP 128 Ca -0.03 0.06 -0.07 0.00 -0.01 0.00 0.00 54.79 54.74 2kcq n ASP 128 Cb 0.09 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2kcq n ASP 128 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2kcq n ARG 129 N -1.65 -1.53 -0.01 0.11 0.63 0.10 -4.97 116.66 109.34 2kcq n ARG 129 Ca 0.06 1.45 -0.01 0.00 -0.92 0.00 0.00 57.85 58.42 2kcq n ARG 129 Cb 0.36 -4.96 -0.01 0.00 0.45 0.00 0.00 32.46 28.29 2kcq n ARG 129 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kcq n SER 130 N -1.67 4.33 -2.74 6.15 7.64 -1.26 -5.03 113.62 121.04 2kcq n SER 130 Ca -0.05 -0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.77 2kcq n SER 130 Cb 0.54 0.38 0.02 0.00 -1.01 0.00 0.00 64.21 64.15 2kcq n SER 130 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kcq n GLU 131 N -2.21 0.89 -4.09 1.43 0.28 -1.26 -5.08 120.64 110.59 2kcq n GLU 131 Ca -0.03 -1.80 -0.27 0.00 -0.16 0.00 0.00 57.16 54.90 2kcq n GLU 131 Cb 0.56 2.29 -0.06 0.00 1.43 0.00 0.00 31.44 35.66 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 -2.74 3.11 0.06 -1.84 0.40 -1.26 -2.35 117.98 113.35 2kcq s PHE 132 Ca 0.16 -0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.55 2kcq s PHE 132 Cb -0.04 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 2kcq s PHE 132 CO 0.09 0.52 -0.21 -1.01 0.70 0.00 0.00 175.22 175.30 2kcq s HIS 133 N -1.68 1.86 0.06 0.36 3.76 0.39 -4.95 115.29 115.09 2kcq s HIS 133 Ca 0.30 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.55 2kcq s HIS 133 Cb -0.10 -1.09 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 2kcq s HIS 133 CO 0.22 0.12 0.87 0.50 -0.85 0.00 0.00 174.74 175.61 2kcq s ARG 134 N -1.33 4.59 0.11 1.40 6.06 -1.26 -0.65 118.95 127.86 2kcq s ARG 134 Ca 0.08 1.26 0.09 0.00 -2.50 0.00 0.00 55.73 54.67 2kcq s ARG 134 Cb -0.09 -3.39 -0.04 0.00 0.06 0.00 0.00 34.95 31.49 2kcq s ARG 134 CO 0.02 0.19 -0.21 -2.00 -2.50 0.00 0.00 175.30 170.80 2kcq s GLU 135 N 0.18 1.68 0.40 5.12 2.12 -1.07 -4.90 118.70 122.23 2kcq s GLU 135 Ca 0.44 -1.22 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 2kcq s GLU 135 Cb -0.22 -2.05 -0.06 0.00 0.26 0.00 0.00 34.13 32.06 2kcq s GLU 135 CO 0.26 0.48 0.76 0.34 -0.54 0.00 0.00 175.26 176.56 2kcq s ASP 136 N -2.05 6.53 -0.41 -1.70 2.15 -1.26 -4.47 116.67 115.46 2kcq s ASP 136 Ca 0.16 1.12 -0.27 0.00 0.43 0.00 0.00 52.55 54.00 2kcq s ASP 136 Cb -0.10 -2.32 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2kcq s ASP 136 CO 0.08 -0.38 0.99 -0.63 -0.17 0.00 0.00 175.17 175.06 2kcq s ILE 137 N -2.34 4.47 -0.08 4.11 -1.09 -1.26 -4.85 121.20 120.16 2kcq s ILE 137 Ca 0.51 1.17 0.04 0.00 -2.23 0.00 0.00 60.65 60.14 2kcq s ILE 137 Cb -0.10 -4.42 -0.01 0.00 -1.58 0.00 0.00 42.46 36.34 2kcq s ILE 137 CO 0.31 -0.70 -0.19 0.68 -1.23 0.00 0.00 174.94 173.81 2kcq s VAL 138 N 3.77 2.57 0.28 2.92 -7.23 -1.25 -5.04 120.40 116.41 2kcq s VAL 138 Ca 0.41 -0.87 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 2kcq s VAL 138 Cb -0.11 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 2kcq s VAL 138 CO 0.23 0.56 0.81 -0.13 -0.31 0.00 0.00 175.10 176.26 2kcq s ARG 139 N -0.10 4.32 0.48 4.82 0.52 -1.25 -1.32 118.95 126.42 2kcq s ARG 139 Ca -0.04 1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 55.93 2kcq s ARG 139 Cb -0.14 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.51 2kcq s ARG 139 CO 0.04 0.29 1.31 -0.35 0.02 0.00 0.00 175.30 176.62 2kcq n PRO 140 N 0.42 1.86 -1.62 3.54 -0.04 -1.26 -4.84 135.00 133.05 2kcq n PRO 140 Ca 0.00 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 2kcq n PRO 140 Cb 0.51 -2.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.49 2kcq n PRO 140 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kcq n ASP 141 N -0.33 1.51 -0.98 3.54 9.92 -1.26 -4.78 116.55 124.18 2kcq n ASP 141 Ca 0.08 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 2kcq n ASP 141 Cb 0.42 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 2kcq n ASP 141 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kcq n PRO 142 N 0.27 0.60 0.09 -0.24 -0.04 -1.26 -2.78 135.00 131.64 2kcq n PRO 142 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kcq n PRO 142 Cb 0.38 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.68 0.00 -2.74 0.54 1.02 -1.26 -5.13 120.64 113.74 2kcq n GLU 143 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2kcq n GLU 143 Cb 0.29 -0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 31.69 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq n ALA 144 N -3.12 -3.33 -0.94 0.62 0.00 -1.12 -5.02 120.51 107.60 2kcq n ALA 144 Ca 0.00 1.02 -0.09 0.00 0.00 0.00 0.00 53.44 54.37 2kcq n ALA 144 Cb 0.00 -2.06 0.12 0.00 0.00 0.00 0.00 19.45 17.51 2kcq n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kcq n PRO 145 N 1.14 -2.32 -2.02 0.00 -0.02 -1.26 -4.96 135.00 125.55 2kcq n PRO 145 Ca -0.13 -0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 60.19 2kcq n PRO 145 Cb 0.24 -0.78 -0.00 0.00 -0.02 0.00 0.00 33.50 32.94 2kcq n PRO 145 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2kcq s LEU 146 N 0.00 4.18 0.54 2.45 0.05 -1.26 -4.98 118.68 119.65 2kcq s LEU 146 Ca 0.32 2.67 -0.05 0.00 0.05 0.00 0.00 54.13 57.12 2kcq s LEU 146 Cb -0.04 -3.94 -0.01 0.00 -2.05 0.00 0.00 46.19 40.15 2kcq s LEU 146 CO 0.25 -0.92 0.84 -0.70 -0.55 0.00 0.00 176.35 175.27 2kcq s GLU 147 N -2.32 3.18 0.00 1.48 -6.30 -1.26 -4.85 118.70 108.63 2kcq s GLU 147 Ca 0.58 0.04 0.00 0.00 -2.50 0.00 0.00 54.97 53.10 2kcq s GLU 147 Cb -0.38 -2.33 0.00 0.00 0.00 0.00 0.00 34.13 31.41 2kcq s GLU 147 CO 0.49 -0.47 0.00 -2.39 0.02 0.00 0.00 175.26 172.91 2kcq n HIS 148 N -2.42 0.00 -0.02 5.30 1.44 -1.26 -4.72 115.22 113.55 2kcq n HIS 148 Ca 0.03 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.76 2kcq n HIS 148 Cb 0.57 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.59 2kcq n HIS 148 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcq n HIS 149 N -1.04 0.00 -1.94 -1.40 -0.00 -1.26 -5.01 115.22 104.57 2kcq n HIS 149 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2kcq n HIS 149 Cb 0.00 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.99 29.65 2kcq n HIS 149 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcq s HIS 150 N -2.59 2.99 0.40 1.57 5.04 -1.26 -4.89 115.29 116.55 2kcq s HIS 150 Ca -0.04 0.84 0.07 0.00 -1.54 0.00 0.00 55.06 54.39 2kcq s HIS 150 Cb 0.06 -3.90 -0.06 0.00 0.04 0.00 0.00 32.58 28.71 2kcq s HIS 150 CO 0.43 -3.10 0.10 -1.01 -2.34 0.00 0.00 174.74 168.82 2kcq s HIS 151 N 0.42 2.57 -0.19 3.88 3.76 -0.50 -5.03 115.29 120.20 2kcq s HIS 151 Ca 0.64 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.92 2kcq s HIS 151 Cb -0.44 -1.84 0.06 0.00 1.11 0.00 0.00 32.58 31.47 2kcq s HIS 151 CO 0.40 0.32 0.02 -1.58 -0.85 0.00 0.00 174.74 173.05 2kcq s HIS 152 N -2.63 1.14 -1.97 1.40 2.46 -1.26 -3.97 115.29 110.45 2kcq s HIS 152 Ca 0.38 -0.90 0.16 0.00 0.47 0.00 0.00 55.06 55.17 2kcq s HIS 152 Cb 0.06 -1.07 0.13 0.00 -0.13 0.00 0.00 32.58 31.56 2kcq s HIS 152 CO 0.20 -0.61 1.00 1.58 -2.47 0.00 0.00 174.74 174.45