#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hca s ASP 15 N 0.00 4.14 -0.13 3.54 -1.08 -1.26 -5.01 116.67 116.87 3hca s ASP 15 Ca 0.00 -0.27 0.15 0.00 -0.52 0.00 0.00 52.55 51.91 3hca s ASP 15 Cb 0.00 -1.51 -0.24 0.00 -1.46 0.00 0.00 42.92 39.71 3hca s ASP 15 CO 0.00 0.20 0.32 -1.54 0.52 0.00 0.00 175.17 174.67 3hca n SER 16 N 3.30 0.39 -0.21 -0.34 3.41 -1.26 -4.54 113.62 114.36 3hca n SER 16 Ca -0.18 0.17 -0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3hca n SER 16 Cb 0.53 0.53 0.07 0.00 -0.26 0.00 0.00 64.21 65.08 3hca n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hca h ALA 17 N 0.99 0.45 0.50 7.33 0.00 -1.99 -1.96 119.26 124.58 3hca h ALA 17 Ca -0.44 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hca h ALA 17 Cb 2.15 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.40 3hca h ALA 17 CO 0.05 -0.42 -0.31 -1.35 0.00 0.00 0.00 179.25 177.21 3hca h PRO 18 N 0.01 -0.75 -0.42 0.00 0.11 -2.00 -0.01 132.00 128.95 3hca h PRO 18 Ca 0.31 0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.55 3hca h PRO 18 Cb 0.48 0.17 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 3hca h PRO 18 CO -0.64 -0.50 -0.00 0.78 -0.21 0.00 0.00 178.00 177.43 3hca h GLY 19 N -0.78 0.42 0.37 -0.55 0.00 -1.77 -0.67 103.07 100.09 3hca h GLY 19 Ca -0.06 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3hca h GLY 19 CO 0.06 -0.11 0.29 1.46 0.00 0.00 0.00 176.54 178.24 3hca h GLN 20 N 0.10 0.47 -0.80 4.80 4.20 -1.20 -2.25 115.11 120.43 3hca h GLN 20 Ca 0.21 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3hca h GLN 20 Cb 0.30 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 3hca h GLN 20 CO -0.35 0.31 0.53 0.00 -0.67 0.00 0.00 178.83 178.65 3hca h ALA 21 N 1.45 1.02 -0.60 3.87 0.00 0.50 -0.11 119.26 125.38 3hca h ALA 21 Ca 0.35 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3hca h ALA 21 Cb 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hca h ALA 21 CO -0.31 0.44 0.37 0.00 0.00 0.00 0.00 179.25 179.75 3hca h ALA 22 N 1.29 0.78 0.16 0.00 0.00 -0.80 -0.06 119.26 120.64 3hca h ALA 22 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hca h ALA 22 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3hca h ALA 22 CO -0.06 0.11 -0.08 0.28 0.00 0.00 0.00 179.25 179.50 3hca h VAL 23 N 0.73 0.93 -0.44 0.00 2.07 -0.77 -0.48 116.25 118.27 3hca h VAL 23 Ca 0.24 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.45 3hca h VAL 23 Cb 0.02 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3hca h VAL 23 CO -0.10 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.67 3hca h ALA 24 N 0.41 0.49 0.11 1.67 0.00 -0.94 -1.58 119.26 119.42 3hca h ALA 24 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hca h ALA 24 Cb 0.31 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3hca h ALA 24 CO 0.04 -0.31 -0.28 1.03 0.00 0.00 0.00 179.25 179.72 3hca h SER 25 N 0.22 -0.81 -0.67 0.00 0.87 -0.87 -2.80 113.55 109.49 3hca h SER 25 Ca 0.22 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.97 3hca h SER 25 Cb 0.27 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 3hca h SER 25 CO -0.28 -0.37 0.28 0.00 -0.53 0.00 0.00 176.83 175.93 3hca h ALA 26 N 0.21 0.90 0.00 6.23 0.00 -0.61 -1.52 119.26 124.47 3hca h ALA 26 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hca h ALA 26 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hca h ALA 26 CO -0.17 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.59 3hca n TYR 27 N -4.95 0.51 0.35 0.00 4.02 -0.64 -2.23 117.16 114.21 3hca n TYR 27 Ca 0.10 0.21 0.05 0.00 -0.01 0.00 0.00 57.90 58.25 3hca n TYR 27 Cb 0.30 -0.83 0.21 0.00 -0.02 0.00 0.00 39.34 39.00 3hca n TYR 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3hca n GLN 28 N -1.97 0.02 -0.07 -0.72 1.13 -0.57 -1.15 117.38 114.05 3hca n GLN 28 Ca 0.02 0.31 0.05 0.00 -1.94 0.00 0.00 57.00 55.44 3hca n GLN 28 Cb 0.18 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.11 3hca n GLN 28 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hca n ARG 29 N -1.47 1.45 -1.76 -1.09 1.74 -0.95 -5.01 116.66 109.58 3hca n ARG 29 Ca 0.03 -1.46 -0.42 0.00 -0.77 0.00 0.00 57.85 55.22 3hca n ARG 29 Cb 0.11 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3hca n ARG 29 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hca s PHE 30 N -0.88 2.27 -0.38 -1.55 5.36 -0.30 -4.42 117.98 118.08 3hca s PHE 30 Ca 0.15 0.08 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 3hca s PHE 30 Cb 0.09 -4.13 0.07 0.00 -0.34 0.00 0.00 43.02 38.71 3hca s PHE 30 CO 0.13 -4.62 0.18 -1.21 -1.46 0.00 0.00 175.22 168.24 3hca s GLU 31 N 2.56 2.47 0.17 10.12 2.02 -0.39 -5.00 118.70 130.65 3hca s GLU 31 Ca 0.79 -1.44 -0.22 0.00 0.02 0.00 0.00 54.97 54.12 3hca s GLU 31 Cb -0.45 -3.59 0.07 0.00 0.10 0.00 0.00 34.13 30.26 3hca s GLU 31 CO 0.35 -0.87 1.61 -1.35 0.02 0.00 0.00 175.26 175.02 3hca h PRO 32 N 8.24 -0.21 -0.71 0.39 0.11 -1.92 -0.55 132.00 137.34 3hca h PRO 32 Ca -0.21 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.98 3hca h PRO 32 Cb 1.07 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3hca h PRO 32 CO 0.68 -0.14 0.40 0.00 -0.21 0.00 0.00 178.00 178.73 3hca h ARG 33 N -0.22 0.71 -0.45 1.05 2.47 -1.94 0.53 114.38 116.53 3hca h ARG 33 Ca 0.18 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.76 3hca h ARG 33 Cb 0.52 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3hca h ARG 33 CO -0.53 0.47 -0.12 0.00 0.56 0.00 0.00 179.97 180.36 3hca h ALA 34 N 1.36 0.95 -0.60 0.04 0.00 -1.67 -1.24 119.26 118.12 3hca h ALA 34 Ca 0.32 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3hca h ALA 34 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hca h ALA 34 CO -0.19 0.61 -0.02 -0.92 0.00 0.00 0.00 179.25 178.74 3hca h TYR 35 N 0.73 1.16 -0.16 0.00 3.20 -0.29 -0.02 116.97 121.60 3hca h TYR 35 Ca 0.12 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3hca h TYR 35 Cb 0.61 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3hca h TYR 35 CO 0.03 1.03 0.07 -0.07 -1.64 0.00 0.00 178.16 177.59 3hca h LEU 36 N 0.97 0.22 -0.51 2.82 3.38 -0.71 -2.47 115.31 119.00 3hca h LEU 36 Ca 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hca h LEU 36 Cb 0.58 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hca h LEU 36 CO 0.03 0.31 0.32 -0.09 0.09 0.00 0.00 178.44 179.10 3hca h ARG 37 N 0.12 0.69 0.00 1.13 2.43 -1.09 0.22 114.38 117.88 3hca h ARG 37 Ca 0.06 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hca h ARG 37 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hca h ARG 37 CO -0.01 0.49 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.80 3hca h ASN 38 N 0.69 0.00 0.00 -3.80 2.35 -0.90 -3.25 115.58 110.67 3hca h ASN 38 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3hca h ASN 38 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3hca h ASN 38 CO -0.04 0.23 -0.92 0.59 -1.65 0.00 0.00 177.43 175.65 3hca n ASN 39 N -3.97 4.61 0.00 5.81 3.02 -0.94 -4.82 115.26 118.97 3hca n ASN 39 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3hca n ASN 39 Cb 0.31 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3hca n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hca n TYR 40 N -1.55 0.00 -4.25 3.10 4.02 0.76 -4.07 117.16 115.16 3hca n TYR 40 Ca 0.00 -0.29 -0.23 0.00 -0.01 0.00 0.00 57.90 57.37 3hca n TYR 40 Cb 0.16 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.38 3hca n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hca s ALA 41 N -0.58 3.26 0.63 -0.72 0.00 -1.12 -4.46 121.76 118.76 3hca s ALA 41 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 3hca s ALA 41 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3hca s ALA 41 CO 0.00 0.26 0.86 -2.30 0.00 0.00 0.00 175.76 174.58 3hca n PRO 42 N -0.96 0.70 -0.03 0.00 -0.02 -1.26 -0.16 135.00 133.27 3hca n PRO 42 Ca -0.07 0.28 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 3hca n PRO 42 Cb 0.59 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 3hca n PRO 42 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hca h PRO 43 N 0.21 0.82 0.00 0.52 0.11 -1.93 -3.43 132.00 128.30 3hca h PRO 43 Ca -0.48 -0.64 -0.03 0.00 0.11 0.00 0.00 66.00 64.96 3hca h PRO 43 Cb 1.36 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.60 3hca h PRO 43 CO 0.49 1.25 -0.13 0.00 -0.21 0.00 0.00 178.00 179.40 3hca h ARG 44 N 0.57 0.00 -0.24 1.05 3.08 -1.84 -1.66 114.38 115.34 3hca h ARG 44 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hca h ARG 44 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3hca h ARG 44 CO 0.16 0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.60 3hca n GLY 45 N -0.87 0.19 3.65 0.04 0.00 0.78 -4.15 105.19 104.84 3hca n GLY 45 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3hca n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hca s ASP 46 N -1.08 6.92 0.00 1.61 2.15 -0.62 -4.33 116.67 121.32 3hca s ASP 46 Ca 0.19 1.15 0.23 0.00 0.43 0.00 0.00 52.55 54.55 3hca s ASP 46 Cb 0.10 -2.47 0.12 0.00 -0.30 0.00 0.00 42.92 40.38 3hca s ASP 46 CO 0.14 -0.55 1.19 0.18 -0.17 0.00 0.00 175.17 175.95 3hca n LEU 47 N 6.02 2.65 -0.08 -1.34 4.77 -1.26 -4.40 117.00 123.36 3hca n LEU 47 Ca 0.07 -0.92 -0.15 0.00 -0.03 0.00 0.00 56.01 54.98 3hca n LEU 47 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3hca n LEU 47 CO 0.49 0.46 0.44 0.00 -1.33 0.00 0.00 177.39 177.44 3hca s ASN 49 N -6.89 6.73 0.31 0.00 3.84 -1.26 -4.90 114.94 112.77 3hca s ASN 49 Ca -0.11 0.66 0.23 0.00 0.21 0.00 0.00 52.86 53.84 3hca s ASN 49 Cb 0.10 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 39.39 3hca s ASN 49 CO 0.88 -1.06 1.69 -2.65 -2.79 0.00 0.00 177.10 173.17 3hca n PRO 50 N 7.32 0.16 -0.01 0.43 -0.02 -1.26 -1.32 135.00 140.30 3hca n PRO 50 Ca 0.11 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 3hca n PRO 50 Cb 0.48 -1.94 0.39 0.00 -0.02 0.00 0.00 33.50 32.41 3hca n PRO 50 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hca n ASN 51 N -2.27 1.98 -4.86 2.55 3.02 -1.26 -4.59 115.26 109.82 3hca n ASN 51 Ca -0.00 -1.66 -0.30 0.00 -0.03 0.00 0.00 54.58 52.59 3hca n ASN 51 Cb 0.10 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 3hca n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hca s GLY 52 N -1.97 1.61 0.28 7.41 0.00 -0.44 -4.95 107.32 109.26 3hca s GLY 52 Ca 0.35 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.69 3hca s GLY 52 CO 0.32 0.00 1.67 -0.24 0.00 0.00 0.00 173.10 174.86 3hca h VAL 53 N -0.95 1.32 0.80 1.40 3.04 -1.88 -2.96 116.25 117.03 3hca h VAL 53 Ca -0.46 -1.57 -0.04 0.00 -1.01 0.00 0.00 66.70 63.62 3hca h VAL 53 Cb 1.29 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 3hca h VAL 53 CO 0.63 0.47 -0.45 1.23 -1.01 0.00 0.00 177.57 178.45 3hca h GLY 54 N 1.22 -1.27 1.27 3.17 0.00 -1.85 -1.43 103.07 104.17 3hca h GLY 54 Ca 0.02 0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.91 3hca h GLY 54 CO 0.07 -0.44 0.34 -2.55 0.00 0.00 0.00 176.54 173.96 3hca h PRO 55 N -1.16 0.44 -0.24 4.80 0.11 -1.85 -2.25 132.00 131.85 3hca h PRO 55 Ca -0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3hca h PRO 55 Cb 0.91 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3hca h PRO 55 CO 0.14 0.29 0.03 2.35 -0.21 0.00 0.00 178.00 180.60 3hca h TRP 56 N 0.45 0.43 -0.47 0.65 7.01 -1.32 -0.48 115.95 122.22 3hca h TRP 56 Ca 0.22 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3hca h TRP 56 Cb 0.31 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3hca h TRP 56 CO -0.00 0.54 0.23 0.87 -2.79 0.00 0.00 178.44 177.29 3hca h LYS 57 N 0.20 0.67 -0.34 2.65 1.57 -0.89 -1.24 116.57 119.20 3hca h LYS 57 Ca 0.07 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3hca h LYS 57 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hca h LYS 57 CO 0.01 0.56 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.38 3hca h LEU 58 N 0.62 0.49 -0.23 2.94 3.38 -1.35 -2.29 115.31 118.87 3hca h LEU 58 Ca 0.16 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3hca h LEU 58 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hca h LEU 58 CO -0.02 0.56 -0.21 -0.09 0.09 0.00 0.00 178.44 178.77 3hca h ARG 59 N 0.50 0.54 -0.56 1.13 2.43 -0.74 -0.27 114.38 117.42 3hca h ARG 59 Ca 0.11 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3hca h ARG 59 Cb 0.33 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3hca h ARG 59 CO 0.01 0.86 0.30 0.00 -1.51 0.00 0.00 179.97 179.63 3hca h LEU 61 N 0.57 0.05 -0.07 0.00 3.38 -1.33 -2.44 115.31 115.46 3hca h LEU 61 Ca 0.25 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hca h LEU 61 Cb 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hca h LEU 61 CO -0.16 0.40 0.04 0.00 0.09 0.00 0.00 178.44 178.81 3hca h ALA 62 N 0.65 0.09 -0.50 1.53 0.00 -0.86 -2.10 119.26 118.06 3hca h ALA 62 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hca h ALA 62 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hca h ALA 62 CO 0.00 -0.39 0.33 1.96 0.00 0.00 0.00 179.25 181.15 3hca h GLN 63 N 0.04 0.66 -0.07 0.00 4.20 -0.84 -0.92 115.11 118.18 3hca h GLN 63 Ca 0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hca h GLN 63 Cb 0.05 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 3hca h GLN 63 CO -0.00 0.44 -0.07 1.15 -0.67 0.00 0.00 178.83 179.67 3hca h THR 64 N 0.68 1.37 0.00 -0.54 2.02 -1.07 -3.01 112.91 112.36 3hca h THR 64 Ca 0.18 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 3hca h THR 64 Cb -0.08 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3hca h THR 64 CO -0.04 0.34 -0.13 -0.26 0.37 0.00 0.00 175.52 175.80 3hca h PHE 65 N -0.28 0.00 0.00 3.16 -1.00 -1.19 -2.57 116.94 115.07 3hca h PHE 65 Ca 0.01 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 3hca h PHE 65 Cb 0.58 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 3hca h PHE 65 CO 0.09 0.13 -0.13 0.00 -1.61 0.00 0.00 178.31 176.79 3hca h ALA 66 N 1.87 1.07 0.00 2.45 0.00 -1.03 -2.30 119.26 121.31 3hca h ALA 66 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hca h ALA 66 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hca h ALA 66 CO 0.02 0.17 -0.01 1.79 0.00 0.00 0.00 179.25 181.21 3hca h THR 67 N 0.00 0.07 0.00 0.00 1.35 -1.42 -3.46 112.91 109.45 3hca h THR 67 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3hca h THR 67 Cb 0.57 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3hca h THR 67 CO 0.02 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3hca n GLY 68 N -0.56 0.86 0.02 5.82 0.00 -0.87 -4.86 105.19 105.60 3hca n GLY 68 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3hca n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hca n GLU 69 N -2.01 0.09 -3.74 1.61 1.02 -1.26 -4.55 120.64 111.81 3hca n GLU 69 Ca 0.00 -0.05 -0.36 0.00 -0.02 0.00 0.00 57.16 56.73 3hca n GLU 69 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 3hca n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hca s VAL 70 N -2.94 3.59 0.27 2.62 1.01 -1.26 -5.03 120.40 118.66 3hca s VAL 70 Ca 0.13 -2.72 -0.07 0.00 0.00 0.00 0.00 61.98 59.32 3hca s VAL 70 Cb 0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3hca s VAL 70 CO 0.64 -0.83 0.42 -0.94 0.00 0.00 0.00 175.10 174.39 3hca s SER 71 N 0.98 0.29 0.00 3.32 1.04 -1.26 -4.93 113.70 113.14 3hca s SER 71 Ca 0.15 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3hca s SER 71 Cb -0.21 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3hca s SER 71 CO -0.03 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3hca n GLY 72 N -0.42 -0.13 0.18 7.32 0.00 -1.24 -4.90 105.19 105.99 3hca n GLY 72 Ca -0.00 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 3hca n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hca n ARG 73 N 0.00 0.55 -4.76 1.61 0.63 -1.26 -4.46 116.66 108.97 3hca n ARG 73 Ca 0.00 0.19 -0.31 0.00 -0.92 0.00 0.00 57.85 56.81 3hca n ARG 73 Cb 0.00 -1.42 -0.13 0.00 0.45 0.00 0.00 32.46 31.36 3hca n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hca s THR 74 N -2.46 2.89 0.00 5.15 -4.23 -1.26 -1.27 115.64 114.47 3hca s THR 74 Ca -0.34 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3hca s THR 74 Cb 0.11 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.76 3hca s THR 74 CO 0.48 0.44 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.73 3hca s LEU 75 N -1.16 2.05 -0.12 4.79 0.20 0.22 -1.56 118.68 123.10 3hca s LEU 75 Ca 0.14 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.82 3hca s LEU 75 Cb -0.11 -0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.48 3hca s LEU 75 CO 0.04 0.00 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.28 3hca s ILE 76 N -0.32 1.77 -0.25 6.68 1.01 -0.57 -0.40 121.20 129.13 3hca s ILE 76 Ca -0.01 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 3hca s ILE 76 Cb -0.03 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3hca s ILE 76 CO -0.00 0.49 0.44 -0.62 0.00 0.00 0.00 174.94 175.26 3hca s ASP 77 N 0.87 6.38 -0.23 3.58 2.15 0.76 -1.09 116.67 129.09 3hca s ASP 77 Ca -0.08 0.46 -0.17 0.00 0.43 0.00 0.00 52.55 53.19 3hca s ASP 77 Cb -0.15 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 3hca s ASP 77 CO -0.01 -0.20 0.48 -0.63 -0.17 0.00 0.00 175.17 174.64 3hca s ILE 78 N 1.97 5.12 -1.11 4.11 -1.09 0.16 -2.88 121.20 127.47 3hca s ILE 78 Ca 0.19 0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3hca s ILE 78 Cb -0.15 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3hca s ILE 78 CO 0.09 0.15 0.93 0.61 -1.23 0.00 0.00 174.94 175.49 3hca n GLY 79 N 4.20 -0.37 0.38 6.18 0.00 -1.23 -4.15 105.19 110.19 3hca n GLY 79 Ca -0.06 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3hca n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hca h SER 80 N -1.71 0.41 0.00 1.61 0.02 -0.22 -3.45 113.55 110.21 3hca h SER 80 Ca -0.56 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3hca h SER 80 Cb 1.32 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3hca h SER 80 CO 0.46 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 3hca n GLY 81 N -1.51 2.19 1.62 -3.77 0.00 -1.25 -2.78 105.19 99.69 3hca n GLY 81 Ca 0.15 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3hca n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hca n PRO 82 N 8.41 4.08 -4.24 1.61 -0.04 -1.26 -4.64 135.00 138.93 3hca n PRO 82 Ca 0.00 -2.65 -0.27 0.00 -0.04 0.00 0.00 63.50 60.54 3hca n PRO 82 Cb 0.00 -2.06 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 3hca n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hca s THR 83 N -2.31 3.49 0.00 0.52 -4.23 -1.12 -4.77 115.64 107.22 3hca s THR 83 Ca 0.46 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3hca s THR 83 Cb 0.34 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.45 3hca s THR 83 CO 0.16 -0.08 0.00 1.33 -0.54 0.00 0.00 174.62 175.49 3hca n VAL 84 N 0.03 0.00 -0.21 2.29 0.24 -1.26 -4.80 118.33 114.62 3hca n VAL 84 Ca -0.10 -0.24 0.25 0.00 -2.04 0.00 0.00 64.34 62.21 3hca n VAL 84 Cb 0.55 0.95 0.64 0.00 -1.47 0.00 0.00 33.84 34.51 3hca n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hca h TYR 85 N 0.00 0.23 0.00 6.34 -0.00 -1.97 0.16 116.97 121.73 3hca h TYR 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3hca h TYR 85 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 36.66 3hca h TYR 85 CO 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.21 3hca n GLN 86 N -4.37 0.33 -0.00 0.10 0.00 -1.26 -2.65 117.38 109.52 3hca n GLN 86 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 57.00 57.29 3hca n GLN 86 Cb 0.88 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.62 3hca n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hca n LEU 87 N -1.23 1.11 -0.10 2.61 4.77 0.04 -4.68 117.00 119.52 3hca n LEU 87 Ca 0.10 -1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 3hca n LEU 87 Cb 0.14 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hca n LEU 87 CO 0.14 0.26 0.99 -0.07 -1.33 0.00 0.00 177.39 177.38 3hca h LEU 88 N 0.24 0.31 -0.02 2.23 3.38 -1.51 -1.06 115.31 118.89 3hca h LEU 88 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3hca h LEU 88 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hca h LEU 88 CO 0.00 0.23 -1.05 0.28 0.09 0.00 0.00 178.44 177.99 3hca h SER 89 N 0.40 0.18 -0.61 -0.43 0.02 -1.86 -3.34 113.55 107.90 3hca h SER 89 Ca 0.13 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3hca h SER 89 Cb -0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3hca h SER 89 CO -0.06 1.11 0.17 0.00 -1.14 0.00 0.00 176.83 176.91 3hca h ALA 90 N 0.87 1.08 0.00 3.77 0.00 -1.75 -3.29 119.26 119.94 3hca h ALA 90 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hca h ALA 90 Cb 1.78 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hca h ALA 90 CO 0.15 0.61 0.00 0.00 0.00 0.00 0.00 179.25 180.02 3hca n SER 92 N -2.42 0.98 0.00 0.00 3.41 -1.24 -3.85 113.62 110.50 3hca n SER 92 Ca -0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 3hca n SER 92 Cb 0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3hca n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hca n HIS 93 N -0.18 0.00 -3.73 7.33 8.25 -0.02 -5.00 115.22 121.86 3hca n HIS 93 Ca 0.18 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.44 3hca n HIS 93 Cb 0.24 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.18 3hca n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hca s PHE 94 N -0.62 0.22 0.25 4.41 0.40 -1.21 -3.69 117.98 117.74 3hca s PHE 94 Ca 0.00 0.12 0.11 0.00 -0.60 0.00 0.00 56.93 56.56 3hca s PHE 94 Cb 0.00 -0.51 0.32 0.00 0.51 0.00 0.00 43.02 43.34 3hca s PHE 94 CO 0.00 -0.20 1.59 0.93 0.70 0.00 0.00 175.22 178.24 3hca h GLU 95 N 8.15 0.00 -4.74 0.44 5.08 -1.69 -3.41 114.58 118.41 3hca h GLU 95 Ca -0.21 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.49 3hca h GLU 95 Cb 1.12 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.99 3hca h GLU 95 CO 0.25 0.64 -0.78 0.34 -1.00 0.00 0.00 179.01 178.46 3hca s ASP 96 N -6.81 4.47 -0.13 1.42 3.68 -0.40 -4.64 116.67 114.26 3hca s ASP 96 Ca -0.01 -1.59 -0.01 0.00 2.13 0.00 0.00 52.55 53.07 3hca s ASP 96 Cb 0.12 -1.52 -0.02 0.00 -1.45 0.00 0.00 42.92 40.05 3hca s ASP 96 CO 0.76 -0.25 -0.08 -0.63 0.13 0.00 0.00 175.17 175.10 3hca s ILE 97 N 1.09 3.49 -0.22 4.11 1.01 0.47 -0.61 121.20 130.54 3hca s ILE 97 Ca -0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 3hca s ILE 97 Cb -0.20 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 3hca s ILE 97 CO -0.06 0.53 0.02 -0.89 0.00 0.00 0.00 174.94 174.54 3hca s THR 98 N 0.13 4.05 0.10 2.92 2.01 0.46 -0.83 115.64 124.47 3hca s THR 98 Ca -0.04 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3hca s THR 98 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 3hca s THR 98 CO 0.04 0.39 0.23 -0.04 -0.69 0.00 0.00 174.62 174.55 3hca s MET 99 N 1.27 3.39 0.05 4.92 -1.94 -0.60 -0.17 119.30 126.21 3hca s MET 99 Ca 0.04 -0.53 -0.09 0.00 -1.71 0.00 0.00 55.69 53.39 3hca s MET 99 Cb -0.15 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.72 3hca s MET 99 CO 0.02 0.57 0.20 0.95 -0.01 0.00 0.00 175.02 176.75 3hca s THR 100 N -1.60 0.12 0.05 2.05 -4.23 -1.14 -0.75 115.64 110.13 3hca s THR 100 Ca 0.34 -0.96 -0.27 0.00 -1.18 0.00 0.00 61.69 59.62 3hca s THR 100 Cb -0.12 -1.03 0.09 0.00 1.34 0.00 0.00 72.50 72.78 3hca s THR 100 CO 0.28 -0.53 0.78 -0.62 -0.54 0.00 0.00 174.62 173.98 3hca s ASP 101 N -2.31 -0.45 0.11 3.99 2.15 -0.60 0.42 116.67 119.98 3hca s ASP 101 Ca -0.02 0.05 -0.10 0.00 0.43 0.00 0.00 52.55 52.90 3hca s ASP 101 Cb 0.01 0.47 -0.14 0.00 -0.30 0.00 0.00 42.92 42.96 3hca s ASP 101 CO -0.06 -0.74 1.29 0.15 -0.17 0.00 0.00 175.17 175.65 3hca h PHE 102 N 2.07 0.94 -3.26 -5.34 3.57 -1.87 -2.39 116.94 110.65 3hca h PHE 102 Ca -0.27 -0.45 -0.59 0.00 3.53 0.00 0.00 57.97 60.19 3hca h PHE 102 Cb 1.26 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.77 3hca h PHE 102 CO 0.25 1.27 -0.32 -0.51 -2.23 0.00 0.00 178.31 176.78 3hca s LEU 103 N -8.18 4.26 0.37 0.59 1.43 -1.26 -4.77 118.68 111.12 3hca s LEU 103 Ca -0.09 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3hca s LEU 103 Cb 0.08 -2.38 0.72 0.00 0.03 0.00 0.00 46.19 44.64 3hca s LEU 103 CO 0.90 0.11 1.98 -0.08 0.23 0.00 0.00 176.35 179.49 3hca h GLU 104 N 6.55 0.60 -0.06 1.70 4.81 -1.99 -2.40 114.58 123.80 3hca h GLU 104 Ca -0.42 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 3hca h GLU 104 Cb 1.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3hca h GLU 104 CO 0.75 0.47 -0.14 -0.39 -0.73 0.00 0.00 179.01 178.97 3hca h VAL 105 N 0.61 1.14 -0.06 0.32 -1.51 -1.97 0.11 116.25 114.88 3hca h VAL 105 Ca 0.15 -0.63 -0.13 0.00 -1.23 0.00 0.00 66.70 64.87 3hca h VAL 105 Cb 0.07 1.25 0.01 0.00 -2.13 0.00 0.00 31.29 30.49 3hca h VAL 105 CO -0.02 0.19 -0.46 0.78 -1.23 0.00 0.00 177.57 176.83 3hca h ASN 106 N 0.09 0.52 -0.52 4.19 -0.26 -1.79 -1.95 115.58 115.86 3hca h ASN 106 Ca 0.02 -0.68 0.05 0.00 -0.56 0.00 0.00 56.30 55.13 3hca h ASN 106 Cb 0.31 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 3hca h ASN 106 CO 0.02 1.11 0.35 0.03 -1.06 0.00 0.00 177.43 177.88 3hca h ARG 107 N -0.04 0.51 -0.16 0.81 3.08 -0.93 -0.69 114.38 116.96 3hca h ARG 107 Ca -0.04 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 3hca h ARG 107 Cb 1.12 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3hca h ARG 107 CO 0.09 0.34 -0.69 1.96 -1.07 0.00 0.00 179.97 180.60 3hca h GLN 108 N 0.52 0.66 -0.44 0.04 4.20 -0.80 -1.58 115.11 117.72 3hca h GLN 108 Ca 0.22 -0.49 0.02 0.00 0.06 0.00 0.00 58.65 58.46 3hca h GLN 108 Cb 0.20 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3hca h GLN 108 CO -0.06 1.11 0.25 1.49 -0.67 0.00 0.00 178.83 180.96 3hca h GLU 109 N 0.47 0.50 -0.79 1.46 4.57 -0.44 -0.68 114.58 119.66 3hca h GLU 109 Ca -0.02 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3hca h GLU 109 Cb 1.28 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3hca h GLU 109 CO 0.13 0.33 0.39 -0.07 -1.18 0.00 0.00 179.01 178.61 3hca h LEU 110 N 0.51 1.02 -1.66 1.64 3.38 -1.12 -2.29 115.31 116.79 3hca h LEU 110 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hca h LEU 110 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hca h LEU 110 CO -0.09 0.86 0.10 1.23 0.09 0.00 0.00 178.44 180.63 3hca h GLY 111 N 1.16 0.35 1.80 0.83 0.00 -0.47 -0.35 103.07 106.38 3hca h GLY 111 Ca 0.27 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 3hca h GLY 111 CO -0.04 0.14 -0.58 3.21 0.00 0.00 0.00 176.54 179.27 3hca h ARG 112 N 0.33 0.21 0.07 4.80 3.08 -0.57 -2.51 114.38 119.79 3hca h ARG 112 Ca 0.08 -0.14 -0.29 0.00 0.07 0.00 0.00 59.98 59.71 3hca h ARG 112 Cb 0.06 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.15 3hca h ARG 112 CO -0.01 0.73 -1.17 2.35 -1.07 0.00 0.00 179.97 180.80 3hca h TRP 113 N 0.16 1.00 -0.88 3.04 7.01 -1.16 -1.98 115.95 123.14 3hca h TRP 113 Ca -0.00 -0.59 0.05 0.00 2.11 0.00 0.00 58.89 60.45 3hca h TRP 113 Cb 1.07 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.98 3hca h TRP 113 CO 0.02 1.43 0.55 -0.07 -2.79 0.00 0.00 178.44 177.59 3hca h LEU 114 N 0.31 0.89 -0.04 0.65 3.38 -1.05 -0.05 115.31 119.40 3hca h LEU 114 Ca -0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hca h LEU 114 Cb 1.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3hca h LEU 114 CO 0.22 0.58 -0.00 0.00 0.09 0.00 0.00 178.44 179.34 3hca n GLN 115 N -4.58 0.92 -3.61 1.13 6.02 -0.95 -4.90 117.38 111.40 3hca n GLN 115 Ca 0.12 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.84 3hca n GLN 115 Cb 0.15 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.98 3hca n GLN 115 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hca n GLU 116 N -1.01 -7.28 -2.85 -1.09 2.13 -0.03 -4.97 120.64 105.54 3hca n GLU 116 Ca 0.22 0.79 -0.35 0.00 0.66 0.00 0.00 57.16 58.48 3hca n GLU 116 Cb 0.14 -5.80 -0.07 0.00 0.27 0.00 0.00 31.44 25.99 3hca n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hca s GLU 117 N -6.16 4.40 0.47 5.31 2.02 -0.76 -4.96 118.70 119.02 3hca s GLU 117 Ca 0.46 1.17 0.14 0.00 0.02 0.00 0.00 54.97 56.76 3hca s GLU 117 Cb -0.21 -2.58 1.09 0.00 0.10 0.00 0.00 34.13 32.53 3hca s GLU 117 CO 0.75 0.18 2.07 -1.35 0.02 0.00 0.00 175.26 176.92 3hca h PRO 118 N 2.73 0.08 0.00 0.39 0.11 -1.93 -1.91 132.00 131.46 3hca h PRO 118 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3hca h PRO 118 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hca h PRO 118 CO 0.64 0.13 -0.22 0.78 -0.21 0.00 0.00 178.00 179.12 3hca h GLY 119 N 0.31 0.00 -1.51 -0.55 0.00 -1.93 -3.45 103.07 95.94 3hca h GLY 119 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.82 3hca h GLY 119 CO 0.01 0.00 0.31 0.00 0.00 0.00 0.00 176.54 176.85 3hca s ALA 120 N -3.96 1.76 0.40 3.60 0.00 -0.72 -4.94 121.76 117.90 3hca s ALA 120 Ca -0.01 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 3hca s ALA 120 Cb 0.12 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 3hca s ALA 120 CO 0.63 -2.40 1.35 0.12 0.00 0.00 0.00 175.76 175.47 3hca s PHE 121 N -2.31 2.75 -0.45 0.00 5.36 -1.26 -4.97 117.98 117.10 3hca s PHE 121 Ca 0.71 1.35 -0.20 0.00 -0.96 0.00 0.00 56.93 57.83 3hca s PHE 121 Cb -0.27 -3.77 0.03 0.00 -0.34 0.00 0.00 43.02 38.68 3hca s PHE 121 CO 0.53 -2.34 0.62 1.21 -1.46 0.00 0.00 175.22 173.77 3hca s ASN 122 N -0.58 6.28 0.00 6.13 2.47 -1.26 -4.91 114.94 123.08 3hca s ASN 122 Ca 0.56 -0.50 0.23 0.00 0.42 0.00 0.00 52.86 53.57 3hca s ASN 122 Cb -0.40 -2.30 0.47 0.00 -1.45 0.00 0.00 41.25 37.56 3hca s ASN 122 CO 0.53 -0.79 1.43 0.79 -3.72 0.00 0.00 177.10 175.34 3hca n TRP 123 N 6.18 0.53 -0.05 0.43 7.02 -1.26 -4.60 117.44 125.69 3hca n TRP 123 Ca -0.03 -0.26 0.22 0.00 -1.02 0.00 0.00 57.50 56.40 3hca n TRP 123 Cb 0.47 0.00 0.69 0.00 -2.42 0.00 0.00 31.31 30.05 3hca n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hca h SER 124 N 4.30 0.01 -0.35 -0.99 4.64 -1.98 0.18 113.55 119.37 3hca h SER 124 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3hca h SER 124 Cb 0.95 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3hca h SER 124 CO 0.00 0.01 -0.11 0.24 -0.87 0.00 0.00 176.83 176.09 3hca h MET 125 N 0.02 0.69 -0.34 4.77 2.86 -1.99 0.27 114.93 121.20 3hca h MET 125 Ca 0.30 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3hca h MET 125 Cb 1.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3hca h MET 125 CO -0.01 0.87 -0.01 1.88 1.06 0.00 0.00 176.91 180.70 3hca h TYR 126 N 0.47 0.67 -0.30 -0.22 -1.99 -1.10 -1.08 116.97 113.42 3hca h TYR 126 Ca 0.08 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3hca h TYR 126 Cb 0.63 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.17 3hca h TYR 126 CO 0.05 0.72 0.20 0.77 -0.00 0.00 0.00 178.16 179.90 3hca h SER 127 N 0.42 0.34 -0.39 3.88 0.02 -0.92 0.23 113.55 117.13 3hca h SER 127 Ca 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3hca h SER 127 Cb 0.46 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3hca h SER 127 CO 0.02 0.24 0.25 -0.61 -1.14 0.00 0.00 176.83 175.59 3hca h GLN 128 N 0.40 0.52 -0.62 3.45 5.75 -0.90 -1.75 115.11 121.96 3hca h GLN 128 Ca 0.11 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 3hca h GLN 128 Cb -0.04 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 3hca h GLN 128 CO -0.03 0.37 0.12 1.25 -2.65 0.00 0.00 178.83 177.88 3hca h HIS 129 N 0.52 1.05 -0.72 3.99 2.76 -0.87 0.05 115.15 121.93 3hca h HIS 129 Ca 0.14 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3hca h HIS 129 Cb -0.03 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 3hca h HIS 129 CO -0.04 0.88 0.44 0.00 -1.30 0.00 0.00 177.93 177.91 3hca h ALA 130 N 1.17 0.92 -0.77 5.26 0.00 -0.73 -1.32 119.26 123.79 3hca h ALA 130 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hca h ALA 130 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hca h ALA 130 CO 0.01 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.96 3hca h LEU 132 N 1.12 0.78 0.00 0.00 5.85 -0.30 -2.61 115.31 120.14 3hca h LEU 132 Ca 0.26 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3hca h LEU 132 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hca h LEU 132 CO -0.02 0.59 -0.82 0.16 -0.34 0.00 0.00 178.44 178.00 3hca h ILE 133 N 0.90 0.09 0.00 4.05 3.07 -1.13 -3.25 117.51 121.24 3hca h ILE 133 Ca 0.24 -1.15 -0.09 0.00 1.55 0.00 0.00 64.86 65.40 3hca h ILE 133 Cb -0.07 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.16 3hca h ILE 133 CO -0.05 0.05 -0.45 -0.33 -1.05 0.00 0.00 178.15 176.32 3hca h GLU 134 N 0.00 0.00 -1.36 0.16 5.08 -1.12 -3.48 114.58 113.86 3hca h GLU 134 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3hca h GLU 134 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3hca h GLU 134 CO 0.01 0.45 -0.26 0.41 -1.00 0.00 0.00 179.01 178.62 3hca n GLY 135 N 0.20 0.07 0.83 -3.84 0.00 -1.00 -4.91 105.19 96.54 3hca n GLY 135 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3hca n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hca n LYS 136 N -2.06 2.48 -1.60 1.61 5.02 -1.26 -4.96 118.16 117.39 3hca n LYS 136 Ca -0.12 -2.09 -0.15 0.00 -2.02 0.00 0.00 58.31 53.93 3hca n LYS 136 Cb 0.57 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 3hca n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hca n GLY 137 N 0.89 1.21 3.75 0.72 0.00 -1.26 -4.98 105.19 105.53 3hca n GLY 137 Ca 0.15 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3hca n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hca s GLU 138 N -3.57 4.74 0.41 1.61 2.12 -1.26 -5.04 118.70 117.71 3hca s GLU 138 Ca 0.00 1.65 -0.14 0.00 0.36 0.00 0.00 54.97 56.84 3hca s GLU 138 Cb 0.00 -3.24 -0.08 0.00 0.26 0.00 0.00 34.13 31.07 3hca s GLU 138 CO 0.00 0.35 0.83 0.00 -0.54 0.00 0.00 175.26 175.89 3hca h TRP 140 N 1.47 0.00 -0.52 0.00 5.08 -1.92 -2.41 115.95 117.65 3hca h TRP 140 Ca -0.47 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.43 3hca h TRP 140 Cb 1.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 3hca h TRP 140 CO 0.62 0.40 0.06 1.96 -1.28 0.00 0.00 178.44 180.19 3hca h GLN 141 N 0.00 0.84 -0.18 0.12 7.50 -1.95 -0.80 115.11 120.64 3hca h GLN 141 Ca -0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 58.65 58.90 3hca h GLN 141 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 3hca h GLN 141 CO 0.05 0.81 -0.04 -0.44 -1.50 0.00 0.00 178.83 177.70 3hca h ASP 142 N 0.79 0.35 -0.82 1.46 5.19 -1.84 -1.90 116.42 119.65 3hca h ASP 142 Ca 0.16 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 3hca h ASP 142 Cb 0.40 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 3hca h ASP 142 CO 0.01 0.64 0.49 0.50 -3.12 0.00 0.00 179.24 177.75 3hca h LYS 143 N 0.06 1.12 -0.28 3.56 3.64 -1.30 -1.01 116.57 122.36 3hca h LYS 143 Ca 0.05 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3hca h LYS 143 Cb 0.48 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3hca h LYS 143 CO 0.02 0.80 -0.17 0.93 -2.27 0.00 0.00 179.45 178.75 3hca h GLU 144 N 1.13 0.50 -0.28 1.90 5.08 -1.13 -1.86 114.58 119.93 3hca h GLU 144 Ca 0.29 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3hca h GLU 144 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hca h GLU 144 CO -0.05 0.66 -0.37 -0.09 -1.00 0.00 0.00 179.01 178.16 3hca h ARG 145 N 0.46 0.63 -0.40 2.33 2.43 -0.72 -1.91 114.38 117.20 3hca h ARG 145 Ca 0.08 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 3hca h ARG 145 Cb 0.57 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3hca h ARG 145 CO 0.04 0.90 -0.25 0.37 -1.51 0.00 0.00 179.97 179.51 3hca h GLN 146 N 0.52 0.88 -0.39 0.20 4.15 -0.94 -1.72 115.11 117.82 3hca h GLN 146 Ca 0.05 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 3hca h GLN 146 Cb 0.88 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 3hca h GLN 146 CO 0.08 1.06 0.18 1.25 -1.93 0.00 0.00 178.83 179.47 3hca h LEU 147 N 0.69 0.51 -1.25 -2.39 5.85 -1.25 -0.91 115.31 116.57 3hca h LEU 147 Ca 0.08 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3hca h LEU 147 Cb 0.83 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3hca h LEU 147 CO 0.07 0.49 0.02 0.03 -0.34 0.00 0.00 178.44 178.71 3hca h ARG 148 N 0.48 0.53 -0.07 1.25 3.08 -1.30 -1.85 114.38 116.50 3hca h ARG 148 Ca 0.13 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3hca h ARG 148 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3hca h ARG 148 CO -0.02 0.54 -0.65 0.00 -1.07 0.00 0.00 179.97 178.77 3hca h ALA 149 N 1.52 0.77 -0.01 0.04 0.00 -0.93 -3.28 119.26 117.36 3hca h ALA 149 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hca h ALA 149 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hca h ALA 149 CO 0.01 0.75 -0.53 0.54 0.00 0.00 0.00 179.25 180.02 3hca n ARG 150 N -3.85 0.53 -2.56 0.00 1.74 -0.38 -4.71 116.66 107.44 3hca n ARG 150 Ca -0.03 -0.38 -0.41 0.00 -0.77 0.00 0.00 57.85 56.26 3hca n ARG 150 Cb 0.65 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3hca n ARG 150 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hca s VAL 151 N -2.73 3.80 -0.62 1.55 1.01 -0.73 -0.40 120.40 122.28 3hca s VAL 151 Ca 0.16 0.52 0.24 0.00 0.00 0.00 0.00 61.98 62.91 3hca s VAL 151 Cb 0.18 -4.87 0.07 0.00 0.00 0.00 0.00 36.38 31.76 3hca s VAL 151 CO 0.65 -1.73 1.35 0.11 0.00 0.00 0.00 175.10 175.49 3hca h LYS 152 N 9.90 0.00 -1.55 2.72 1.79 -1.27 -3.48 116.57 124.69 3hca h LYS 152 Ca -0.27 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.34 3hca h LYS 152 Cb 1.05 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.48 3hca h LYS 152 CO 1.26 0.00 0.66 -0.98 -1.08 0.00 0.00 179.45 179.31 3hca s ARG 153 N -3.17 0.47 -0.22 3.15 1.70 -1.24 -5.06 118.95 114.57 3hca s ARG 153 Ca 0.06 0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.34 3hca s ARG 153 Cb 0.13 0.22 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 3hca s ARG 153 CO 0.71 -0.17 -0.07 0.08 -1.08 0.00 0.00 175.30 174.78 3hca s VAL 154 N -1.60 1.56 0.19 4.99 1.01 -1.26 -1.56 120.40 123.73 3hca s VAL 154 Ca 0.03 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.97 3hca s VAL 154 Cb -0.01 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3hca s VAL 154 CO -0.03 -0.01 -0.12 -0.76 0.00 0.00 0.00 175.10 174.18 3hca s LEU 155 N 1.40 2.88 0.58 3.92 1.43 0.07 -4.96 118.68 123.99 3hca s LEU 155 Ca -0.04 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 3hca s LEU 155 Cb -0.18 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3hca s LEU 155 CO -0.07 0.10 1.11 -2.84 0.23 0.00 0.00 176.35 174.88 3hca s PRO 156 N -2.87 3.22 -0.07 1.29 0.02 -1.26 -1.56 135.00 133.77 3hca s PRO 156 Ca 0.25 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 3hca s PRO 156 Cb -0.08 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.47 3hca s PRO 156 CO 0.14 -0.94 0.33 -1.50 -0.33 0.00 0.00 177.00 174.70 3hca s ILE 157 N -1.99 0.03 -0.24 2.83 2.07 -0.90 -4.73 121.20 118.27 3hca s ILE 157 Ca 0.70 -0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.69 3hca s ILE 157 Cb -0.22 -0.54 0.08 0.00 0.13 0.00 0.00 42.46 41.91 3hca s ILE 157 CO 0.31 -0.12 0.08 -0.62 -1.91 0.00 0.00 174.94 172.68 3hca s ASP 158 N -0.52 3.18 0.00 4.50 -1.08 -0.40 -3.53 116.67 118.83 3hca s ASP 158 Ca -0.06 -1.06 0.12 0.00 -0.52 0.00 0.00 52.55 51.02 3hca s ASP 158 Cb -0.04 -0.52 0.54 0.00 -1.46 0.00 0.00 42.92 41.45 3hca s ASP 158 CO 0.02 -0.37 1.36 1.33 0.52 0.00 0.00 175.17 178.03 3hca n VAL 159 N 5.11 1.04 0.72 1.11 0.24 -1.26 -2.09 118.33 123.20 3hca n VAL 159 Ca -0.06 0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.62 3hca n VAL 159 Cb 0.45 -1.06 0.30 0.00 -1.47 0.00 0.00 33.84 32.06 3hca n VAL 159 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3hca n HIS 160 N -1.44 0.46 -3.09 6.34 8.25 -1.26 -4.37 115.22 120.12 3hca n HIS 160 Ca 0.04 0.13 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 3hca n HIS 160 Cb 0.13 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.55 3hca n HIS 160 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hca s GLN 161 N -3.10 4.15 0.53 -0.41 -1.52 -0.89 -4.96 119.66 113.47 3hca s GLN 161 Ca 0.09 0.81 0.19 0.00 -1.95 0.00 0.00 55.36 54.50 3hca s GLN 161 Cb 0.15 -2.63 1.38 0.00 -0.22 0.00 0.00 33.01 31.69 3hca s GLN 161 CO 0.66 0.25 2.17 -1.35 -0.25 0.00 0.00 175.29 176.78 3hca h PRO 162 N 2.78 0.00 -3.29 2.91 0.11 -1.88 -3.11 132.00 129.52 3hca h PRO 162 Ca -0.48 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.99 3hca h PRO 162 Cb 1.18 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.88 3hca h PRO 162 CO 0.65 0.00 -0.59 -0.65 -0.21 0.00 0.00 178.00 177.20 3hca s GLN 163 N -4.97 2.18 0.55 1.05 -0.21 -1.26 -4.83 119.66 112.17 3hca s GLN 163 Ca -0.05 -2.87 0.30 0.00 0.02 0.00 0.00 55.36 52.76 3hca s GLN 163 Cb 0.17 -3.38 1.46 0.00 1.00 0.00 0.00 33.01 32.26 3hca s GLN 163 CO 0.64 -1.17 1.91 -1.35 -2.12 0.00 0.00 175.29 173.20 3hca h PRO 164 N 6.14 0.00 -0.01 2.91 0.11 -1.69 0.14 132.00 139.60 3hca h PRO 164 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hca h PRO 164 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3hca h PRO 164 CO 0.70 0.00 -0.57 1.28 -0.21 0.00 0.00 178.00 179.20 3hca n LEU 165 N -4.15 1.36 0.00 2.35 4.77 -1.26 -1.27 117.00 118.80 3hca n LEU 165 Ca 0.14 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hca n LEU 165 Cb 0.83 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3hca n LEU 165 CO 0.36 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3hca n GLY 166 N 1.44 0.08 3.77 -0.72 0.00 0.49 -4.70 105.19 105.55 3hca n GLY 166 Ca 0.08 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 3hca n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hca s ALA 167 N -1.42 3.43 -1.44 4.61 0.00 -1.26 -4.07 121.76 121.61 3hca s ALA 167 Ca 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 3hca s ALA 167 Cb 0.00 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3hca s ALA 167 CO 0.00 0.23 0.78 0.41 0.00 0.00 0.00 175.76 177.18 3hca n GLY 168 N 1.84 -0.37 3.88 0.00 0.00 -1.26 -4.96 105.19 104.32 3hca n GLY 168 Ca -0.05 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3hca n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hca s SER 169 N -3.87 5.86 0.12 1.61 1.04 -1.26 -5.00 113.70 112.21 3hca s SER 169 Ca 0.32 1.19 -0.26 0.00 0.48 0.00 0.00 55.95 57.69 3hca s SER 169 Cb -0.16 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 3hca s SER 169 CO 0.84 -1.05 1.64 -0.65 0.98 0.00 0.00 173.24 174.99 3hca h PRO 170 N -0.39 -0.38 -6.04 4.02 0.11 -1.92 -3.45 132.00 123.94 3hca h PRO 170 Ca -0.45 0.03 -0.73 0.00 0.11 0.00 0.00 66.00 64.96 3hca h PRO 170 Cb 1.22 0.09 0.08 0.00 0.11 0.00 0.00 31.00 32.50 3hca h PRO 170 CO 0.63 -0.25 -0.14 0.00 -0.21 0.00 0.00 178.00 178.02 3hca n ALA 171 N -2.67 -3.01 -1.85 -0.75 0.00 -1.26 -4.83 120.51 106.14 3hca n ALA 171 Ca -0.05 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3hca n ALA 171 Cb 0.29 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 3hca n ALA 171 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hca s PRO 172 N -0.42 4.17 0.07 0.00 0.02 -1.26 -5.00 135.00 132.58 3hca s PRO 172 Ca 0.79 2.41 0.07 0.00 0.02 0.00 0.00 61.00 64.29 3hca s PRO 172 Cb -1.09 -3.70 -0.03 0.00 0.02 0.00 0.00 34.50 29.70 3hca s PRO 172 CO 0.56 -0.80 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.73 3hca s LEU 173 N 3.02 2.23 0.55 -5.54 1.43 -1.26 -3.82 118.68 115.29 3hca s LEU 173 Ca 0.77 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 3hca s LEU 173 Cb -0.41 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.89 3hca s LEU 173 CO 0.34 0.08 1.00 -2.16 0.23 0.00 0.00 176.35 175.84 3hca s PRO 174 N -1.54 3.83 0.56 1.29 0.04 -1.26 -5.14 135.00 132.79 3hca s PRO 174 Ca 0.05 0.89 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 3hca s PRO 174 Cb -0.09 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 3hca s PRO 174 CO 0.03 -0.37 0.95 0.00 0.04 0.00 0.00 177.00 177.65 3hca s ALA 175 N -2.81 3.18 -0.20 8.56 0.00 0.60 -4.66 121.76 126.43 3hca s ALA 175 Ca 0.58 -0.15 0.17 0.00 0.00 0.00 0.00 51.96 52.55 3hca s ALA 175 Cb -0.10 -2.95 0.14 0.00 0.00 0.00 0.00 23.12 20.21 3hca s ALA 175 CO 0.39 -0.51 1.49 -0.44 0.00 0.00 0.00 175.76 176.69 3hca h ASP 176 N 0.07 0.00 -5.00 0.00 3.45 -1.60 -1.61 116.42 111.73 3hca h ASP 176 Ca -0.45 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 3hca h ASP 176 Cb 1.19 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.78 3hca h ASP 176 CO 0.62 0.40 0.05 0.00 -1.57 0.00 0.00 179.24 178.74 3hca s ALA 177 N -3.03 -1.44 -0.03 3.45 0.00 -1.13 -2.72 121.76 116.87 3hca s ALA 177 Ca 0.04 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.95 3hca s ALA 177 Cb 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3hca s ALA 177 CO 0.73 -0.40 -0.20 -0.51 0.00 0.00 0.00 175.76 175.39 3hca s LEU 178 N -1.48 1.99 -0.04 0.00 1.43 0.16 -1.51 118.68 119.24 3hca s LEU 178 Ca -0.10 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3hca s LEU 178 Cb -0.01 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3hca s LEU 178 CO 0.05 0.21 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 3hca s VAL 179 N -0.22 2.86 -0.28 -1.59 1.01 -0.25 -0.57 120.40 121.36 3hca s VAL 179 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3hca s VAL 179 Cb -0.10 -2.11 0.15 0.00 0.00 0.00 0.00 36.38 34.33 3hca s VAL 179 CO 0.01 0.58 0.39 -0.55 0.00 0.00 0.00 175.10 175.53 3hca s SER 180 N -0.75 0.49 -0.23 3.32 0.15 -0.42 0.36 113.70 116.62 3hca s SER 180 Ca 0.11 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 3hca s SER 180 Cb -0.10 1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 65.24 3hca s SER 180 CO 0.00 -0.35 0.01 0.00 1.20 0.00 0.00 173.24 174.11 3hca s ALA 181 N 2.53 2.99 -1.33 5.45 0.00 -1.26 -1.37 121.76 128.77 3hca s ALA 181 Ca 0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3hca s ALA 181 Cb -0.13 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 3hca s ALA 181 CO -0.28 -0.42 0.58 1.19 0.00 0.00 0.00 175.76 176.84 3hca n PHE 182 N 4.78 -1.80 0.03 0.00 3.01 0.85 -4.90 117.46 119.43 3hca n PHE 182 Ca -0.17 0.76 0.00 0.00 1.01 0.00 0.00 57.45 59.05 3hca n PHE 182 Cb 0.51 -4.02 0.00 0.00 -0.01 0.00 0.00 39.48 35.96 3hca n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hca h LEU 184 N 0.00 -1.20 -1.03 0.00 3.38 -1.91 -1.13 115.31 113.42 3hca h LEU 184 Ca 0.00 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hca h LEU 184 Cb 0.00 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hca h LEU 184 CO 0.00 -0.41 -0.22 -0.61 0.09 0.00 0.00 178.44 177.29 3hca h GLN 185 N -0.49 0.00 0.00 1.13 -0.00 -1.91 -2.55 115.11 111.29 3hca h GLN 185 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3hca h GLN 185 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.09 3hca h GLN 185 CO -0.36 0.22 0.00 0.00 0.00 0.00 0.00 178.83 178.69 3hca n ALA 186 N -2.21 2.14 -0.23 3.38 0.00 -0.52 -3.55 120.51 119.51 3hca n ALA 186 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hca n ALA 186 Cb 0.44 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hca n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hca n VAL 187 N -2.10 0.58 -4.24 0.00 0.24 -0.66 -4.83 118.33 107.32 3hca n VAL 187 Ca 0.05 -0.67 -0.34 0.00 -2.04 0.00 0.00 64.34 61.33 3hca n VAL 187 Cb 0.36 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.38 3hca n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hca s SER 188 N -0.58 4.91 0.29 -1.34 0.01 -0.98 -4.94 113.70 111.07 3hca s SER 188 Ca 0.00 -0.13 0.11 0.00 1.31 0.00 0.00 55.95 57.24 3hca s SER 188 Cb 0.00 -1.82 0.42 0.00 0.21 0.00 0.00 66.02 64.83 3hca s SER 188 CO 0.00 0.13 1.65 -0.65 0.41 0.00 0.00 173.24 174.78 3hca h PRO 189 N 6.98 0.00 -4.02 12.44 0.11 -1.89 -3.18 132.00 142.44 3hca h PRO 189 Ca -0.33 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 3hca h PRO 189 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 3hca h PRO 189 CO 0.63 0.57 -0.28 0.16 -0.21 0.00 0.00 178.00 178.87 3hca s ASP 190 N -6.86 0.16 0.33 -2.05 3.84 -1.26 -4.40 116.67 106.44 3hca s ASP 190 Ca -0.02 -1.17 0.01 0.00 -0.00 0.00 0.00 52.55 51.38 3hca s ASP 190 Cb 0.13 0.54 0.58 0.00 -1.38 0.00 0.00 42.92 42.79 3hca s ASP 190 CO 0.76 -1.08 1.97 0.25 -0.00 0.00 0.00 175.17 177.07 3hca h LEU 191 N 2.34 0.74 -0.98 2.11 5.85 -1.95 -1.42 115.31 122.00 3hca h LEU 191 Ca -0.29 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3hca h LEU 191 Cb 1.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3hca h LEU 191 CO 0.41 0.58 0.30 0.00 -0.34 0.00 0.00 178.44 179.39 3hca h ALA 192 N 1.55 1.19 -0.27 1.25 0.00 -1.99 -0.68 119.26 120.32 3hca h ALA 192 Ca 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3hca h ALA 192 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hca h ALA 192 CO -0.04 0.59 -0.22 1.03 0.00 0.00 0.00 179.25 180.61 3hca h SER 193 N 1.01 0.66 -0.70 0.00 0.87 -1.78 -1.79 113.55 111.82 3hca h SER 193 Ca 0.24 -0.45 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 3hca h SER 193 Cb 0.17 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.88 3hca h SER 193 CO -0.02 0.97 0.34 0.15 -0.53 0.00 0.00 176.83 177.74 3hca h PHE 194 N 0.35 0.61 -0.07 2.24 3.57 -1.00 0.69 116.94 123.33 3hca h PHE 194 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3hca h PHE 194 Cb 0.77 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3hca h PHE 194 CO 0.07 0.21 0.03 0.37 -2.23 0.00 0.00 178.31 176.77 3hca h GLN 195 N 0.58 0.10 -0.92 1.11 5.75 -0.96 -1.31 115.11 119.46 3hca h GLN 195 Ca 0.35 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 3hca h GLN 195 Cb 0.37 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 3hca h GLN 195 CO -0.27 0.20 0.52 0.00 -2.65 0.00 0.00 178.83 176.63 3hca h ARG 196 N -0.02 1.27 -0.64 1.69 3.08 -0.90 -0.66 114.38 118.20 3hca h ARG 196 Ca 0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3hca h ARG 196 Cb 0.14 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hca h ARG 196 CO -0.00 0.92 0.37 0.00 -1.07 0.00 0.00 179.97 180.19 3hca h ALA 197 N 1.28 0.82 -0.64 0.04 0.00 -0.70 -0.38 119.26 119.68 3hca h ALA 197 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hca h ALA 197 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hca h ALA 197 CO -0.05 0.31 0.40 1.25 0.00 0.00 0.00 179.25 181.16 3hca h LEU 198 N 0.87 0.75 -1.07 0.00 5.85 -0.69 -2.19 115.31 118.83 3hca h LEU 198 Ca 0.23 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hca h LEU 198 Cb 0.00 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3hca h LEU 198 CO -0.04 0.56 0.63 0.44 -0.34 0.00 0.00 178.44 179.69 3hca h ASP 199 N 0.86 1.09 -0.10 1.25 3.32 -0.55 -2.19 116.42 120.10 3hca h ASP 199 Ca 0.23 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3hca h ASP 199 Cb -0.07 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 3hca h ASP 199 CO -0.05 0.78 0.00 0.45 -1.72 0.00 0.00 179.24 178.71 3hca h HIS 200 N 1.28 0.18 0.00 4.55 3.86 -0.50 -2.92 115.15 121.61 3hca h HIS 200 Ca 0.35 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.48 3hca h HIS 200 Cb -0.13 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3hca h HIS 200 CO -0.00 0.42 -0.26 -0.84 0.86 0.00 0.00 177.93 178.11 3hca h ILE 201 N -0.11 0.84 0.00 2.45 3.07 -1.36 -2.61 117.51 119.79 3hca h ILE 201 Ca 0.03 -1.05 -0.03 0.00 1.55 0.00 0.00 64.86 65.36 3hca h ILE 201 Cb 0.35 1.63 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3hca h ILE 201 CO 0.00 0.26 -0.13 0.74 -1.05 0.00 0.00 178.15 177.97 3hca h THR 202 N 0.00 0.57 0.00 0.16 2.02 -1.20 -1.00 112.91 113.47 3hca h THR 202 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3hca h THR 202 Cb 0.61 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3hca h THR 202 CO 0.03 0.13 0.00 0.35 0.37 0.00 0.00 175.52 176.40 3hca n THR 203 N -3.63 0.91 0.65 3.16 -2.24 -0.98 -1.97 114.28 110.18 3hca n THR 203 Ca -0.02 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 3hca n THR 203 Cb 0.25 -1.05 0.18 0.00 -2.10 0.00 0.00 70.33 67.61 3hca n THR 203 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hca n LEU 204 N -1.81 0.64 -4.73 3.22 4.77 -0.38 -4.88 117.00 113.84 3hca n LEU 204 Ca 0.03 0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 3hca n LEU 204 Cb 0.20 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3hca n LEU 204 CO 0.16 -0.01 -0.20 -0.22 -1.33 0.00 0.00 177.39 175.79 3hca s LEU 205 N -3.96 4.10 0.64 2.23 2.96 -0.83 -0.29 118.68 123.53 3hca s LEU 205 Ca 0.07 0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 54.06 3hca s LEU 205 Cb 0.14 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3hca s LEU 205 CO 0.72 0.24 1.12 0.00 -1.32 0.00 0.00 176.35 177.11 3hca s ARG 206 N -0.01 2.85 0.26 1.98 1.70 -0.61 -4.86 118.95 120.27 3hca s ARG 206 Ca 0.08 1.47 -0.31 0.00 -0.47 0.00 0.00 55.73 56.50 3hca s ARG 206 Cb -0.12 -1.95 -0.11 0.00 -0.57 0.00 0.00 34.95 32.20 3hca s ARG 206 CO 0.00 -1.22 1.64 -2.14 -1.08 0.00 0.00 175.30 172.49 3hca s PRO 207 N -3.92 4.13 0.00 3.89 0.02 -1.26 -1.02 135.00 136.83 3hca s PRO 207 Ca 0.69 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.29 3hca s PRO 207 Cb -0.22 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3hca s PRO 207 CO 0.39 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3hca n GLY 208 N 2.84 1.19 3.83 0.52 0.00 0.60 -4.78 105.19 109.39 3hca n GLY 208 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3hca n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hca s GLY 209 N -1.76 1.58 -0.05 -0.02 0.00 -0.19 -4.69 107.32 102.19 3hca s GLY 209 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.21 3hca s GLY 209 CO 0.00 -0.04 -0.20 0.30 0.00 0.00 0.00 173.10 173.16 3hca s HIS 210 N -3.40 2.54 -0.16 1.90 3.76 -1.10 -0.17 115.29 118.67 3hca s HIS 210 Ca 0.63 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 3hca s HIS 210 Cb -0.13 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 3hca s HIS 210 CO 0.52 -0.02 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.12 3hca s LEU 211 N -0.43 2.87 -0.33 0.89 2.96 0.21 -0.67 118.68 124.17 3hca s LEU 211 Ca 0.05 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3hca s LEU 211 Cb -0.12 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hca s LEU 211 CO 0.01 0.12 0.10 -0.76 -1.32 0.00 0.00 176.35 174.50 3hca s LEU 212 N 0.66 4.23 -0.18 -0.68 1.43 0.26 -1.04 118.68 123.37 3hca s LEU 212 Ca -0.05 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.00 3hca s LEU 212 Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3hca s LEU 212 CO 0.02 -0.30 -0.14 -0.22 0.23 0.00 0.00 176.35 175.94 3hca s LEU 213 N 1.43 2.46 -0.04 1.79 2.96 0.44 -1.31 118.68 126.41 3hca s LEU 213 Ca -0.01 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3hca s LEU 213 Cb -0.19 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3hca s LEU 213 CO 0.03 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.25 3hca s ILE 214 N 1.14 2.48 0.22 6.68 1.01 -0.47 0.53 121.20 132.79 3hca s ILE 214 Ca 0.01 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 3hca s ILE 214 Cb -0.14 -1.92 0.05 0.00 0.01 0.00 0.00 42.46 40.45 3hca s ILE 214 CO -0.05 0.58 0.86 -0.83 0.00 0.00 0.00 174.94 175.50 3hca s GLY 215 N -0.55 -0.13 0.25 6.18 0.00 -0.73 -0.11 107.32 112.22 3hca s GLY 215 Ca 0.08 -0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 3hca s GLY 215 CO 0.01 0.04 0.77 0.00 0.00 0.00 0.00 173.10 173.92 3hca s ALA 216 N -3.45 3.36 -0.15 3.20 0.00 -1.26 -0.74 121.76 122.72 3hca s ALA 216 Ca 0.12 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3hca s ALA 216 Cb -0.03 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3hca s ALA 216 CO 0.05 0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 175.56 3hca s LEU 217 N -2.05 3.27 -1.36 0.00 1.43 0.14 -4.62 118.68 115.48 3hca s LEU 217 Ca 0.45 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3hca s LEU 217 Cb -0.17 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3hca s LEU 217 CO 0.21 0.19 0.51 -0.62 0.23 0.00 0.00 176.35 176.87 3hca n GLU 218 N 3.38 -3.35 -4.92 1.70 -0.58 0.73 -2.21 120.64 115.38 3hca n GLU 218 Ca -0.17 0.45 -0.33 0.00 -0.42 0.00 0.00 57.16 56.69 3hca n GLU 218 Cb 0.53 -4.59 -0.14 0.00 -0.57 0.00 0.00 31.44 26.67 3hca n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hca s GLU 219 N -6.39 2.65 0.00 3.49 2.12 -1.26 -3.88 118.70 115.43 3hca s GLU 219 Ca 0.05 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.68 3hca s GLU 219 Cb -0.02 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.96 3hca s GLU 219 CO 0.87 0.52 0.13 -1.13 -0.54 0.00 0.00 175.26 175.11 3hca n SER 220 N 2.60 0.20 -3.57 -1.70 3.41 -1.26 -1.96 113.62 111.34 3hca n SER 220 Ca -0.17 -0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 57.70 3hca n SER 220 Cb 0.52 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.31 3hca n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hca s TRP 221 N -1.08 -0.55 0.05 7.33 1.48 -1.25 -1.25 118.94 123.67 3hca s TRP 221 Ca 0.01 1.04 -0.08 0.00 -1.06 0.00 0.00 56.10 56.01 3hca s TRP 221 Cb 0.01 0.40 -0.00 0.00 -1.16 0.00 0.00 33.47 32.72 3hca s TRP 221 CO 0.07 -0.44 0.15 1.52 -4.06 0.00 0.00 176.95 174.19 3hca s TYR 222 N -0.83 0.14 -0.15 1.66 -0.85 -0.82 -2.67 117.35 113.83 3hca s TYR 222 Ca -0.05 -0.45 -0.07 0.00 -0.52 0.00 0.00 57.07 55.97 3hca s TYR 222 Cb -0.01 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3hca s TYR 222 CO 0.04 -0.43 0.11 -0.51 -1.52 0.00 0.00 175.55 173.24 3hca s LEU 223 N -2.31 4.17 -0.32 -3.49 1.43 0.45 -1.05 118.68 117.56 3hca s LEU 223 Ca -0.02 0.31 0.12 0.00 -1.03 0.00 0.00 54.13 53.50 3hca s LEU 223 Cb 0.01 -2.04 0.46 0.00 0.03 0.00 0.00 46.19 44.66 3hca s LEU 223 CO -0.06 0.30 1.13 0.00 0.23 0.00 0.00 176.35 177.95 3hca n ALA 224 N 2.70 4.25 0.00 4.21 0.00 -1.26 -4.73 120.51 125.67 3hca n ALA 224 Ca -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.69 3hca n ALA 224 Cb 0.54 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3hca n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hca n GLY 225 N -0.57 0.97 3.74 0.00 0.00 -1.26 -1.26 105.19 106.81 3hca n GLY 225 Ca 0.30 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3hca n GLY 225 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hca s GLU 226 N 0.00 4.75 4.22 1.61 2.02 -1.26 -4.82 118.70 125.22 3hca s GLU 226 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.47 3hca s GLU 226 Cb 0.00 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3hca s GLU 226 CO 0.00 0.31 0.00 0.00 0.02 0.00 0.00 175.26 175.59 3hca n ALA 227 N 2.30 0.00 0.00 5.21 0.00 -1.26 -4.82 120.51 121.94 3hca n ALA 227 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hca n ALA 227 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3hca n ALA 227 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hca n ARG 228 N 8.20 0.00 -3.07 0.00 0.63 -1.26 -4.90 116.66 116.26 3hca n ARG 228 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 3hca n ARG 228 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 3hca n ARG 228 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3hca s LEU 229 N 0.00 4.35 -0.37 6.15 1.02 -0.22 -4.93 118.68 124.68 3hca s LEU 229 Ca 0.00 1.22 -0.15 0.00 0.02 0.00 0.00 54.13 55.22 3hca s LEU 229 Cb 0.00 -3.07 0.00 0.00 0.02 0.00 0.00 46.19 43.14 3hca s LEU 229 CO 0.00 -0.06 0.31 -0.89 0.02 0.00 0.00 176.35 175.74 3hca s THR 230 N 0.49 5.23 0.25 5.49 2.01 -1.26 -1.95 115.64 125.90 3hca s THR 230 Ca 0.36 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.15 3hca s THR 230 Cb -0.18 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3hca s THR 230 CO 0.19 -0.18 -0.10 0.68 -0.69 0.00 0.00 174.62 174.52 3hca s VAL 231 N 1.83 3.01 -0.10 3.82 -7.23 -0.38 -4.86 120.40 116.49 3hca s VAL 231 Ca 0.08 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 3hca s VAL 231 Cb -0.18 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3hca s VAL 231 CO 0.11 -0.31 1.09 0.54 -0.31 0.00 0.00 175.10 176.22 3hca s VAL 232 N -2.21 4.55 -0.14 1.32 0.11 -1.20 -4.12 120.40 118.71 3hca s VAL 232 Ca 0.29 1.85 -0.29 0.00 -2.93 0.00 0.00 61.98 60.89 3hca s VAL 232 Cb -0.07 -4.19 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 3hca s VAL 232 CO 0.17 -0.02 1.27 -2.16 -3.33 0.00 0.00 175.10 171.03 3hca s PRO 233 N 2.22 4.25 0.35 1.54 0.04 -0.83 -4.62 135.00 137.95 3hca s PRO 233 Ca 0.51 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.34 3hca s PRO 233 Cb -0.21 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 3hca s PRO 233 CO 0.19 -0.68 -0.06 0.14 0.04 0.00 0.00 177.00 176.63 3hca s VAL 234 N 3.33 2.34 0.44 -0.36 -7.23 -1.26 -4.78 120.40 112.87 3hca s VAL 234 Ca 0.56 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3hca s VAL 234 Cb -0.23 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 3hca s VAL 234 CO 0.16 -0.19 0.08 -0.94 -0.31 0.00 0.00 175.10 173.91 3hca s SER 235 N -3.65 4.14 0.17 4.85 1.04 -1.26 -0.20 113.70 118.79 3hca s SER 235 Ca 0.33 -1.35 -0.14 0.00 0.48 0.00 0.00 55.95 55.27 3hca s SER 235 Cb 0.02 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.06 3hca s SER 235 CO 0.17 -0.62 1.78 -0.08 0.98 0.00 0.00 173.24 175.48 3hca h GLU 236 N 1.50 0.73 -0.06 4.02 4.81 -1.99 -1.86 114.58 121.73 3hca h GLU 236 Ca -0.43 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3hca h GLU 236 Cb 1.27 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3hca h GLU 236 CO 0.75 0.55 -0.28 0.93 -0.73 0.00 0.00 179.01 180.23 3hca h GLU 237 N 0.70 -0.38 -1.01 1.92 5.08 -1.99 0.66 114.58 119.56 3hca h GLU 237 Ca 0.19 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3hca h GLU 237 Cb 0.03 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3hca h GLU 237 CO -0.03 -0.25 0.66 0.93 -1.00 0.00 0.00 179.01 179.31 3hca h GLU 238 N -0.39 1.22 -0.39 2.33 5.08 -1.93 -0.19 114.58 120.31 3hca h GLU 238 Ca 0.08 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3hca h GLU 238 Cb 0.51 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hca h GLU 238 CO -0.28 0.81 0.04 0.28 -1.00 0.00 0.00 179.01 178.85 3hca h VAL 239 N 1.26 1.25 -0.25 3.13 2.07 -0.80 -1.19 116.25 121.71 3hca h VAL 239 Ca 0.41 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hca h VAL 239 Cb 0.04 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hca h VAL 239 CO -0.14 0.31 0.12 -0.09 0.02 0.00 0.00 177.57 177.79 3hca h ARG 240 N 0.50 0.36 -0.33 1.57 2.43 -0.37 -1.84 114.38 116.69 3hca h ARG 240 Ca 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3hca h ARG 240 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hca h ARG 240 CO 0.01 0.36 0.06 1.49 -1.51 0.00 0.00 179.97 180.38 3hca h GLU 241 N 0.27 0.48 -0.44 0.20 4.81 -1.00 -1.54 114.58 117.36 3hca h GLU 241 Ca 0.08 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3hca h GLU 241 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hca h GLU 241 CO -0.01 0.47 -0.24 0.00 -0.73 0.00 0.00 179.01 178.49 3hca h ALA 242 N 1.60 0.62 -0.42 2.92 0.00 -0.93 -0.58 119.26 122.46 3hca h ALA 242 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3hca h ALA 242 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hca h ALA 242 CO -0.00 0.62 0.13 -0.07 0.00 0.00 0.00 179.25 179.93 3hca h LEU 243 N 0.77 0.61 -0.55 0.00 3.38 -0.81 -1.54 115.31 117.17 3hca h LEU 243 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hca h LEU 243 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hca h LEU 243 CO 0.07 0.65 0.24 0.58 0.09 0.00 0.00 178.44 180.07 3hca h VAL 244 N 0.53 1.21 -0.59 1.22 2.07 -1.26 -1.34 116.25 118.09 3hca h VAL 244 Ca 0.14 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3hca h VAL 244 Cb 0.26 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3hca h VAL 244 CO -0.00 0.25 0.39 -0.09 0.02 0.00 0.00 177.57 178.14 3hca h ARG 245 N 0.74 0.55 -0.00 1.57 9.65 -0.81 -1.67 114.38 124.42 3hca h ARG 245 Ca 0.18 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3hca h ARG 245 Cb 0.16 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3hca h ARG 245 CO -0.02 0.37 -0.10 0.43 2.80 0.00 0.00 179.97 183.44 3hca n SER 246 N -4.48 0.51 -0.03 -3.80 7.64 -0.61 -4.90 113.62 107.96 3hca n SER 246 Ca 0.08 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.32 3hca n SER 246 Cb 0.24 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3hca n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hca n GLY 247 N 1.27 1.45 3.75 0.23 0.00 -0.63 -4.98 105.19 106.28 3hca n GLY 247 Ca 0.15 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3hca n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hca s TYR 248 N -2.07 3.09 -0.19 1.61 2.02 -0.54 -0.71 117.35 120.57 3hca s TYR 248 Ca 0.00 -0.00 -0.12 0.00 -0.37 0.00 0.00 57.07 56.58 3hca s TYR 248 Cb 0.00 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.98 3hca s TYR 248 CO 0.00 0.51 0.22 0.21 -1.57 0.00 0.00 175.55 174.92 3hca s LYS 249 N -2.68 4.20 -0.41 -0.62 2.20 0.32 -4.26 119.74 118.48 3hca s LYS 249 Ca 0.29 -0.06 -0.26 0.00 -0.36 0.00 0.00 55.97 55.57 3hca s LYS 249 Cb -0.11 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3hca s LYS 249 CO 0.21 0.21 0.95 0.08 -0.36 0.00 0.00 175.35 176.44 3hca s VAL 250 N 0.59 4.50 -0.03 4.02 1.01 -1.26 -1.06 120.40 128.16 3hca s VAL 250 Ca 0.12 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.18 3hca s VAL 250 Cb -0.12 -4.40 -0.24 0.00 0.00 0.00 0.00 36.38 31.61 3hca s VAL 250 CO 0.02 -0.70 0.71 0.03 0.00 0.00 0.00 175.10 175.16 3hca h ARG 251 N 8.78 0.09 -2.14 2.72 2.47 -0.75 -3.48 114.38 122.08 3hca h ARG 251 Ca -0.23 -0.16 -0.05 0.00 -1.26 0.00 0.00 59.98 58.28 3hca h ARG 251 Cb 1.08 0.06 -0.22 0.00 -1.65 0.00 0.00 29.97 29.24 3hca h ARG 251 CO 1.01 0.79 0.04 0.34 0.56 0.00 0.00 179.97 182.72 3hca s ASP 252 N -6.49 -0.72 -0.28 7.04 2.15 -0.73 -4.96 116.67 112.67 3hca s ASP 252 Ca -0.08 1.34 -0.01 0.00 0.43 0.00 0.00 52.55 54.24 3hca s ASP 252 Cb 0.08 1.34 0.13 0.00 -0.30 0.00 0.00 42.92 44.17 3hca s ASP 252 CO 0.82 -0.23 0.29 -0.22 -0.17 0.00 0.00 175.17 175.66 3hca s LEU 253 N 0.57 -0.26 0.11 -1.34 2.96 -1.25 -0.08 118.68 119.39 3hca s LEU 253 Ca -0.02 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3hca s LEU 253 Cb -0.05 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 3hca s LEU 253 CO -0.03 -0.38 0.07 -0.13 -1.32 0.00 0.00 176.35 174.57 3hca s ARG 254 N 2.37 2.78 -0.08 1.98 0.52 -0.36 -4.94 118.95 121.22 3hca s ARG 254 Ca 0.09 -0.80 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3hca s ARG 254 Cb -0.14 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 3hca s ARG 254 CO -0.30 0.53 -0.23 0.99 0.02 0.00 0.00 175.30 176.31 3hca s THR 255 N -1.49 1.93 -0.21 0.02 2.01 -1.26 -1.37 115.64 115.26 3hca s THR 255 Ca 0.29 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 3hca s THR 255 Cb -0.11 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3hca s THR 255 CO 0.21 0.53 -0.02 -0.47 -0.69 0.00 0.00 174.62 174.18 3hca s TYR 256 N 0.24 2.99 -0.27 4.92 5.04 0.95 -4.96 117.35 126.25 3hca s TYR 256 Ca -0.14 -0.74 -0.23 0.00 -2.44 0.00 0.00 57.07 53.52 3hca s TYR 256 Cb -0.16 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 3hca s TYR 256 CO 0.07 -0.43 0.76 0.42 -1.34 0.00 0.00 175.55 175.02 3hca s ILE 257 N 1.33 4.86 -0.11 3.14 1.01 -1.26 -0.01 121.20 130.16 3hca s ILE 257 Ca 0.04 1.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 3hca s ILE 257 Cb -0.14 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3hca s ILE 257 CO -0.01 -0.11 1.79 -0.32 0.00 0.00 0.00 174.94 176.30 3hca s MET 258 N 2.79 3.89 0.70 2.79 -2.45 -0.69 -4.96 119.30 121.38 3hca s MET 258 Ca 0.31 2.08 -0.15 0.00 -1.25 0.00 0.00 55.69 56.68 3hca s MET 258 Cb -0.15 -4.10 0.03 0.00 1.25 0.00 0.00 34.83 31.86 3hca s MET 258 CO 0.10 -1.20 1.18 -2.14 1.05 0.00 0.00 175.02 174.00 3hca s PRO 259 N 4.68 2.35 0.17 4.11 0.02 -1.26 -4.85 135.00 140.22 3hca s PRO 259 Ca 0.80 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 63.32 3hca s PRO 259 Cb -0.33 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.42 3hca s PRO 259 CO 0.33 -1.65 1.67 0.00 -0.33 0.00 0.00 177.00 177.01 3hca h ALA 260 N -0.15 0.25 -1.00 -1.55 0.00 -1.95 -1.44 119.26 113.42 3hca h ALA 260 Ca -0.48 0.15 0.31 0.00 0.00 0.00 0.00 54.91 54.90 3hca h ALA 260 Cb 1.28 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 19.24 3hca h ALA 260 CO 0.51 -0.46 0.57 1.25 0.00 0.00 0.00 179.25 181.12 3hca h HIS 261 N -0.01 0.94 -0.01 0.00 -0.00 -2.02 -0.76 115.15 113.29 3hca h HIS 261 Ca 0.19 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3hca h HIS 261 Cb 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 3hca h HIS 261 CO -0.36 -0.14 -0.40 1.28 -0.00 0.00 0.00 177.93 178.31 3hca n LEU 262 N -5.03 1.11 -4.51 0.26 4.77 -0.58 -4.69 117.00 108.33 3hca n LEU 262 Ca 0.31 -0.32 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3hca n LEU 262 Cb 0.94 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 3hca n LEU 262 CO 0.11 0.22 1.16 -1.10 -1.33 0.00 0.00 177.39 176.45 3hca s GLN 263 N -2.63 3.40 -0.14 3.23 -0.21 -0.29 -4.85 119.66 118.17 3hca s GLN 263 Ca 0.19 -0.97 0.15 0.00 0.02 0.00 0.00 55.36 54.76 3hca s GLN 263 Cb 0.18 -4.75 0.48 0.00 1.00 0.00 0.00 33.01 29.92 3hca s GLN 263 CO 0.59 -2.03 1.39 0.25 -2.12 0.00 0.00 175.29 173.37 3hca n THR 264 N 6.29 1.99 -0.98 -0.19 -2.24 -1.26 -4.94 114.28 112.95 3hca n THR 264 Ca 0.16 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 3hca n THR 264 Cb 0.49 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3hca n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hca n GLY 265 N -0.25 0.32 0.10 3.38 0.00 -1.26 -4.80 105.19 102.68 3hca n GLY 265 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3hca n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hca n VAL 266 N -2.54 0.62 -3.93 1.61 0.24 -1.26 -4.90 118.33 108.17 3hca n VAL 266 Ca 0.00 -0.13 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 3hca n VAL 266 Cb 0.19 -0.73 0.02 0.00 -1.47 0.00 0.00 33.84 31.85 3hca n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hca n ASP 267 N -2.20 -1.58 -0.99 -1.34 3.85 -1.26 -0.41 116.55 112.61 3hca n ASP 267 Ca 0.05 -1.71 -0.01 0.00 -0.71 0.00 0.00 54.79 52.41 3hca n ASP 267 Cb 0.37 2.54 0.20 0.00 -1.35 0.00 0.00 41.12 42.88 3hca n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3hca n ASP 268 N -1.23 2.34 -4.71 -1.12 3.85 -1.09 -4.75 116.55 109.83 3hca n ASP 268 Ca -0.00 -3.77 -0.42 0.00 -0.71 0.00 0.00 54.79 49.89 3hca n ASP 268 Cb 0.58 -0.60 -0.03 0.00 -1.35 0.00 0.00 41.12 39.72 3hca n ASP 268 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3hca s VAL 269 N -3.22 2.56 -0.09 2.12 0.11 -1.26 -4.57 120.40 116.05 3hca s VAL 269 Ca 0.43 0.36 0.15 0.00 -2.93 0.00 0.00 61.98 59.98 3hca s VAL 269 Cb 0.39 -3.23 -0.21 0.00 -1.53 0.00 0.00 36.38 31.80 3hca s VAL 269 CO -0.02 0.02 0.58 0.29 -3.33 0.00 0.00 175.10 172.65 3hca n LYS 270 N 4.26 0.64 -3.72 1.54 4.76 -0.94 -4.83 118.16 119.86 3hca n LYS 270 Ca 0.15 0.20 -0.04 0.00 -2.87 0.00 0.00 58.31 55.75 3hca n LYS 270 Cb 0.38 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 31.86 3hca n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hca n GLY 271 N 1.54 0.74 2.97 0.72 0.00 -1.16 -1.70 105.19 108.31 3hca n GLY 271 Ca -0.18 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 3hca n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hca s VAL 272 N -2.10 0.53 0.07 1.61 1.01 0.99 0.24 120.40 122.74 3hca s VAL 272 Ca 0.20 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3hca s VAL 272 Cb -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3hca s VAL 272 CO 0.07 0.16 -0.11 0.72 0.00 0.00 0.00 175.10 175.94 3hca s PHE 273 N -0.00 2.74 -0.14 5.22 -0.12 0.09 -0.04 117.98 125.73 3hca s PHE 273 Ca 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 3hca s PHE 273 Cb -0.04 -1.48 0.02 0.00 -0.63 0.00 0.00 43.02 40.89 3hca s PHE 273 CO -0.00 0.38 -0.13 0.12 -0.05 0.00 0.00 175.22 175.54 3hca s PHE 274 N -1.11 2.02 -0.15 3.49 5.36 -0.47 -1.78 117.98 125.34 3hca s PHE 274 Ca 0.19 -1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 55.03 3hca s PHE 274 Cb -0.11 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.04 3hca s PHE 274 CO 0.11 -0.64 -0.12 0.00 -1.46 0.00 0.00 175.22 173.11 3hca s ALA 275 N 1.53 2.63 -0.36 11.12 0.00 0.19 -1.22 121.76 135.65 3hca s ALA 275 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3hca s ALA 275 Cb -0.13 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.75 3hca s ALA 275 CO -0.10 0.09 0.15 -0.46 0.00 0.00 0.00 175.76 175.45 3hca s TRP 276 N 0.61 3.28 0.05 0.00 -0.00 0.89 -0.42 118.94 123.35 3hca s TRP 276 Ca -0.07 -1.42 0.07 0.00 -0.00 0.00 0.00 56.10 54.68 3hca s TRP 276 Cb -0.15 -2.47 -0.03 0.00 -0.00 0.00 0.00 33.47 30.82 3hca s TRP 276 CO 0.03 -0.75 -0.20 0.00 -0.00 0.00 0.00 176.95 176.02 3hca s ALA 277 N 1.42 1.73 -0.15 5.86 0.00 -0.21 0.04 121.76 130.46 3hca s ALA 277 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3hca s ALA 277 Cb -0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 3hca s ALA 277 CO 0.03 0.38 -0.17 -1.14 0.00 0.00 0.00 175.76 174.86 3hca s GLN 278 N -1.30 3.19 0.11 0.00 0.74 -0.23 0.65 119.66 122.82 3hca s GLN 278 Ca 0.07 -0.77 -0.31 0.00 0.05 0.00 0.00 55.36 54.40 3hca s GLN 278 Cb -0.09 -2.58 -0.09 0.00 1.10 0.00 0.00 33.01 31.35 3hca s GLN 278 CO 0.02 0.04 1.66 0.21 -0.55 0.00 0.00 175.29 176.67 3hca s LYS 279 N 0.75 4.19 0.03 1.67 2.20 0.76 -0.52 119.74 128.83 3hca s LYS 279 Ca -0.07 2.39 -0.30 0.00 -0.36 0.00 0.00 55.97 57.63 3hca s LYS 279 Cb -0.16 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 3hca s LYS 279 CO 0.01 -0.72 1.68 0.08 -0.36 0.00 0.00 175.35 176.04 3hca s VAL 280 N 2.20 3.19 0.00 4.02 1.01 0.11 -0.29 120.40 130.65 3hca s VAL 280 Ca 0.74 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3hca s VAL 280 Cb -0.42 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3hca s VAL 280 CO 0.33 -0.02 0.14 0.61 0.00 0.00 0.00 175.10 176.16