#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjq s THR 26 N 0.00 1.19 0.28 0.00 -4.23 -1.26 -5.16 115.64 106.47 3hjq s THR 26 Ca 0.00 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3hjq s THR 26 Cb 0.00 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 3hjq s THR 26 CO 0.00 -0.59 0.13 0.00 -0.54 0.00 0.00 174.62 173.62 3hjq s ALA 27 N -2.70 1.86 -0.34 3.99 0.00 -1.26 -5.06 121.76 118.24 3hjq s ALA 27 Ca 0.12 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.34 3hjq s ALA 27 Cb -0.01 1.10 0.46 0.00 0.00 0.00 0.00 23.12 24.66 3hjq s ALA 27 CO 0.02 -0.48 1.31 -0.40 0.00 0.00 0.00 175.76 176.20 3hjq n ASP 28 N -0.70 5.31 -4.76 0.00 5.68 -1.26 -5.03 116.55 115.79 3hjq n ASP 28 Ca 0.00 -3.76 -0.41 0.00 -0.50 0.00 0.00 54.79 50.12 3hjq n ASP 28 Cb 0.66 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 40.20 3hjq n ASP 28 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hjq s THR 29 N -4.65 2.01 0.53 2.12 2.01 -1.26 -4.98 115.64 111.42 3hjq s THR 29 Ca 0.53 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 3hjq s THR 29 Cb 0.42 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.86 3hjq s THR 29 CO 0.03 0.00 0.97 -0.94 -0.69 0.00 0.00 174.62 173.99 3hjq s SER 30 N 0.32 6.51 0.53 3.53 1.04 -1.26 -4.89 113.70 119.48 3hjq s SER 30 Ca 0.60 1.47 0.20 0.00 0.48 0.00 0.00 55.95 58.71 3hjq s SER 30 Cb -0.48 -2.47 1.38 0.00 0.10 0.00 0.00 66.02 64.55 3hjq s SER 30 CO 0.53 -0.63 2.12 -0.65 0.98 0.00 0.00 173.24 175.59 3hjq h PRO 31 N 0.64 0.00 -0.07 4.02 0.10 -1.99 -0.80 132.00 133.90 3hjq h PRO 31 Ca -0.46 0.00 -0.21 0.00 0.10 0.00 0.00 66.00 65.43 3hjq h PRO 31 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 3hjq h PRO 31 CO 0.62 0.00 -0.81 1.49 0.10 0.00 0.00 178.00 179.40 3hjq h GLU 32 N 0.00 0.50 -0.03 1.05 4.81 -1.98 0.27 114.58 119.20 3hjq h GLU 32 Ca 0.06 -0.44 -0.18 0.00 -0.13 0.00 0.00 59.36 58.67 3hjq h GLU 32 Cb 0.25 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hjq h GLU 32 CO -0.00 1.08 -0.68 -0.09 -0.73 0.00 0.00 179.01 178.59 3hjq h ARG 33 N 0.32 0.51 -0.99 1.92 2.43 -1.75 -1.78 114.38 115.04 3hjq h ARG 33 Ca -0.05 -0.51 0.06 0.00 -0.81 0.00 0.00 59.98 58.66 3hjq h ARG 33 Cb 1.41 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 31.04 3hjq h ARG 33 CO 0.15 1.15 0.64 1.25 -1.51 0.00 0.00 179.97 181.65 3hjq h LEU 34 N 0.07 1.03 -0.22 3.80 5.85 -1.15 -0.88 115.31 123.81 3hjq h LEU 34 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hjq h LEU 34 Cb 1.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3hjq h LEU 34 CO 0.14 0.67 0.09 0.00 -0.34 0.00 0.00 178.44 179.00 3hjq h ALA 35 N 1.46 0.29 -0.49 1.25 0.00 -0.91 0.88 119.26 121.74 3hjq h ALA 35 Ca 0.42 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3hjq h ALA 35 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hjq h ALA 35 CO -0.16 -0.12 0.08 0.00 0.00 0.00 0.00 179.25 179.05 3hjq h ALA 36 N 0.94 1.22 -0.06 0.00 0.00 -1.09 -2.19 119.26 118.08 3hjq h ALA 36 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hjq h ALA 36 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hjq h ALA 36 CO -0.01 0.53 -0.15 0.82 0.00 0.00 0.00 179.25 180.44 3hjq h ILE 37 N 0.73 1.43 -0.44 0.00 2.04 -0.77 -2.82 117.51 117.67 3hjq h ILE 37 Ca 0.16 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 3hjq h ILE 37 Cb 0.34 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3hjq h ILE 37 CO 0.01 0.42 0.07 0.00 0.00 0.00 0.00 178.15 178.65 3hjq h ALA 38 N 0.45 0.59 0.00 1.87 0.00 -0.86 0.47 119.26 121.79 3hjq h ALA 38 Ca -0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hjq h ALA 38 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3hjq h ALA 38 CO 0.03 0.31 -0.20 -0.22 0.00 0.00 0.00 179.25 179.17 3hjq h LYS 39 N 0.60 -0.31 0.00 0.00 3.64 -1.46 0.45 116.57 119.48 3hjq h LYS 39 Ca 0.14 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3hjq h LYS 39 Cb 0.38 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3hjq h LYS 39 CO 0.01 -0.21 -0.54 0.38 -2.27 0.00 0.00 179.45 176.82 3hjq h ASP 40 N -0.32 0.00 -0.34 4.20 3.04 -1.26 0.22 116.42 121.96 3hjq h ASP 40 Ca 0.06 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.85 3hjq h ASP 40 Cb 0.39 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.67 3hjq h ASP 40 CO -0.18 0.54 0.20 0.00 -2.04 0.00 0.00 179.24 177.76 3hjq h ALA 41 N 1.46 0.43 -0.21 4.15 0.00 0.11 0.20 119.26 125.40 3hjq h ALA 41 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hjq h ALA 41 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hjq h ALA 41 CO 0.07 -0.07 -0.45 -0.07 0.00 0.00 0.00 179.25 178.73 3hjq h LEU 42 N 0.43 0.76 -0.71 0.00 3.38 -0.02 -2.41 115.31 116.75 3hjq h LEU 42 Ca 0.12 -0.55 0.15 0.00 0.09 0.00 0.00 57.88 57.69 3hjq h LEU 42 Cb 0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.44 3hjq h LEU 42 CO -0.02 1.18 0.17 1.23 0.09 0.00 0.00 178.44 181.09 3hjq h GLY 43 N 0.38 0.98 0.59 0.83 0.00 -0.56 -0.51 103.07 104.78 3hjq h GLY 43 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3hjq h GLY 43 CO 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 176.54 176.16 3hjq h ALA 44 N 1.58 -0.58 -0.13 3.60 0.00 -0.32 0.12 119.26 123.54 3hjq h ALA 44 Ca 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hjq h ALA 44 Cb 0.66 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hjq h ALA 44 CO -0.49 -0.87 -0.06 -0.07 0.00 0.00 0.00 179.25 177.76 3hjq h LEU 45 N -0.58 0.28 -1.22 0.00 -0.00 -1.21 -1.39 115.31 111.19 3hjq h LEU 45 Ca 0.01 -0.42 0.17 0.00 -0.00 0.00 0.00 57.88 57.63 3hjq h LEU 45 Cb 0.56 -0.08 -0.08 0.00 -0.00 0.00 0.00 40.66 41.06 3hjq h LEU 45 CO -0.11 0.63 0.60 0.78 -0.00 0.00 0.00 178.44 180.35 3hjq h ASN 46 N -0.08 0.68 -0.00 -0.43 -0.26 -1.06 0.20 115.58 114.62 3hjq h ASN 46 Ca 0.03 0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 3hjq h ASN 46 Cb 0.53 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 3hjq h ASN 46 CO 0.02 0.30 -0.42 0.44 -1.06 0.00 0.00 177.43 176.72 3hjq h ASP 47 N 0.69 0.56 -0.16 5.81 3.32 -0.41 -1.85 116.42 124.38 3hjq h ASP 47 Ca 0.50 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3hjq h ASP 47 Cb 0.84 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3hjq h ASP 47 CO -0.26 0.91 0.08 0.58 -1.72 0.00 0.00 179.24 178.83 3hjq h VAL 48 N 0.43 1.13 -0.96 -1.35 2.07 0.09 0.92 116.25 118.57 3hjq h VAL 48 Ca 0.04 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.31 3hjq h VAL 48 Cb 0.91 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3hjq h VAL 48 CO 0.08 0.12 0.59 0.40 0.02 0.00 0.00 177.57 178.78 3hjq h ILE 49 N 0.14 0.91 -0.32 4.57 2.04 -0.96 -0.95 117.51 122.93 3hjq h ILE 49 Ca 0.06 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 3hjq h ILE 49 Cb 0.12 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3hjq h ILE 49 CO -0.01 0.17 -0.33 -0.07 0.00 0.00 0.00 178.15 177.91 3hjq h LEU 50 N 0.94 0.85 -0.31 1.44 3.38 -1.17 -2.53 115.31 117.91 3hjq h LEU 50 Ca 0.47 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hjq h LEU 50 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hjq h LEU 50 CO -0.26 1.15 0.18 0.50 0.09 0.00 0.00 178.44 180.09 3hjq h LYS 51 N 0.57 0.43 -0.41 1.13 3.64 0.43 -3.24 116.57 119.12 3hjq h LYS 51 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hjq h LYS 51 Cb 0.91 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hjq h LYS 51 CO 0.08 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 178.33 3hjq n HIS 52 N -4.82 0.53 -3.60 1.91 8.25 -0.49 -4.97 115.22 112.03 3hjq n HIS 52 Ca -0.01 -0.26 -0.23 0.00 -0.26 0.00 0.00 57.72 56.95 3hjq n HIS 52 Cb 0.07 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.25 3hjq n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hjq n GLY 53 N 1.45 -0.52 3.61 -1.41 0.00 -0.98 -4.92 105.19 102.42 3hjq n GLY 53 Ca 0.19 0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.99 3hjq n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hjq n VAL 54 N -4.88 1.24 -3.34 1.61 0.31 -1.04 -4.95 118.33 107.28 3hjq n VAL 54 Ca -0.03 -0.31 -0.19 0.00 -0.01 0.00 0.00 64.34 63.80 3hjq n VAL 54 Cb 0.57 -1.11 -0.01 0.00 -0.91 0.00 0.00 33.84 32.39 3hjq n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hjq s THR 55 N -0.41 3.15 0.22 2.52 -4.23 -1.26 -4.94 115.64 110.69 3hjq s THR 55 Ca 0.67 -1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.97 3hjq s THR 55 Cb -0.74 -3.09 0.17 0.00 1.34 0.00 0.00 72.50 70.18 3hjq s THR 55 CO 0.54 -0.05 1.78 1.88 -0.54 0.00 0.00 174.62 178.24 3hjq h TYR 56 N 0.86 0.65 -0.65 3.99 -1.99 -1.99 0.19 116.97 118.04 3hjq h TYR 56 Ca -0.42 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.27 3hjq h TYR 56 Cb 1.27 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.79 3hjq h TYR 56 CO 0.45 0.25 0.14 -1.35 -0.00 0.00 0.00 178.16 177.65 3hjq h PRO 57 N 0.62 1.05 -0.71 4.88 0.11 -1.99 -1.30 132.00 134.66 3hjq h PRO 57 Ca 0.34 -0.26 0.11 0.00 0.11 0.00 0.00 66.00 66.30 3hjq h PRO 57 Cb 0.34 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.24 3hjq h PRO 57 CO -0.25 0.95 0.32 0.93 -0.21 0.00 0.00 178.00 179.74 3hjq h GLU 58 N 0.97 0.50 -0.65 1.05 5.08 -1.89 -0.21 114.58 119.44 3hjq h GLU 58 Ca 0.20 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3hjq h GLU 58 Cb 0.39 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3hjq h GLU 58 CO 0.01 0.33 0.36 -0.92 -1.00 0.00 0.00 179.01 177.79 3hjq h TYR 59 N 0.52 0.65 -0.49 4.33 3.20 -0.68 0.15 116.97 124.65 3hjq h TYR 59 Ca 0.37 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 3hjq h TYR 59 Cb 0.46 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3hjq h TYR 59 CO -0.14 0.31 -0.06 0.00 -1.64 0.00 0.00 178.16 176.63 3hjq h ARG 60 N 0.66 0.90 -0.28 1.82 3.08 -0.52 0.11 114.38 120.14 3hjq h ARG 60 Ca 0.30 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hjq h ARG 60 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hjq h ARG 60 CO -0.19 0.96 0.18 0.28 -1.07 0.00 0.00 179.97 180.14 3hjq h VAL 61 N 0.75 1.07 -0.39 2.04 2.07 -0.45 -1.67 116.25 119.67 3hjq h VAL 61 Ca 0.13 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hjq h VAL 61 Cb 0.59 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hjq h VAL 61 CO 0.04 0.07 0.22 0.15 0.02 0.00 0.00 177.57 178.06 3hjq h PHE 62 N 0.38 0.54 -0.45 1.57 -0.00 -0.40 -0.92 116.94 117.66 3hjq h PHE 62 Ca 0.10 -0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.14 3hjq h PHE 62 Cb -0.04 -0.17 -0.06 0.00 -0.00 0.00 0.00 35.95 35.68 3hjq h PHE 62 CO -0.06 0.41 0.07 -0.22 -0.00 0.00 0.00 178.31 178.51 3hjq h LYS 63 N 0.51 0.19 -0.53 1.11 3.64 -0.62 -2.40 116.57 118.47 3hjq h LYS 63 Ca 0.14 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3hjq h LYS 63 Cb 0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3hjq h LYS 63 CO -0.02 0.13 0.29 0.37 -2.27 0.00 0.00 179.45 177.94 3hjq h GLN 64 N 0.20 0.74 -0.98 1.90 5.75 -0.65 -2.67 115.11 119.39 3hjq h GLN 64 Ca 0.22 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3hjq h GLN 64 Cb 0.29 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 3hjq h GLN 64 CO -0.31 0.57 0.64 2.35 -2.65 0.00 0.00 178.83 179.44 3hjq h TRP 65 N 0.71 1.25 -0.60 3.99 7.01 -1.12 0.17 115.95 127.35 3hjq h TRP 65 Ca 0.19 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 3hjq h TRP 65 Cb 0.05 -0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 26.66 3hjq h TRP 65 CO -0.01 0.79 0.32 -0.07 -2.79 0.00 0.00 178.44 176.68 3hjq h LEU 66 N 1.34 0.76 -0.13 0.65 3.38 -1.22 0.48 115.31 120.57 3hjq h LEU 66 Ca 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hjq h LEU 66 Cb -0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3hjq h LEU 66 CO -0.08 0.65 0.08 0.40 0.09 0.00 0.00 178.44 179.58 3hjq h ILE 67 N 0.82 1.06 -0.81 1.22 2.04 -1.01 -2.49 117.51 118.33 3hjq h ILE 67 Ca 0.21 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3hjq h ILE 67 Cb 0.06 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3hjq h ILE 67 CO -0.03 0.06 0.53 0.44 0.00 0.00 0.00 178.15 179.14 3hjq h ASP 68 N 0.14 0.89 -0.38 1.72 3.32 -0.34 -0.30 116.42 121.47 3hjq h ASP 68 Ca 0.05 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.16 3hjq h ASP 68 Cb 0.02 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 3hjq h ASP 68 CO -0.01 0.63 -0.11 0.58 -1.72 0.00 0.00 179.24 178.61 3hjq h VAL 69 N 1.05 0.60 -0.35 -1.35 2.07 0.38 0.13 116.25 118.78 3hjq h VAL 69 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 3hjq h VAL 69 Cb -0.04 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hjq h VAL 69 CO -0.09 0.00 0.10 1.23 0.02 0.00 0.00 177.57 178.82 3hjq h GLY 70 N -0.01 0.59 2.00 2.17 0.00 -0.99 -1.45 103.07 105.38 3hjq h GLY 70 Ca 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3hjq h GLY 70 CO -0.40 0.34 -0.21 0.83 0.00 0.00 0.00 176.54 177.10 3hjq h GLU 71 N 0.41 0.00 -0.04 4.80 5.08 -0.72 -1.67 114.58 122.44 3hjq h GLU 71 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hjq h GLU 71 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hjq h GLU 71 CO -0.00 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 3hjq n GLY 72 N -0.73 -0.60 2.82 -3.84 0.00 0.43 -4.92 105.19 98.35 3hjq n GLY 72 Ca -0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 3hjq n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjq n GLY 73 N 0.94 -0.51 1.28 -0.02 0.00 -0.63 -4.91 105.19 101.34 3hjq n GLY 73 Ca 0.16 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.33 3hjq n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hjq n GLU 74 N -3.47 3.66 -0.09 1.61 1.02 -0.57 -4.65 120.64 118.15 3hjq n GLU 74 Ca -0.13 -2.88 -0.11 0.00 -0.02 0.00 0.00 57.16 54.02 3hjq n GLU 74 Cb 0.62 -1.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3hjq n GLU 74 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hjq h TRP 75 N 2.85 0.49 0.27 -0.32 4.06 -1.92 0.53 115.95 121.91 3hjq h TRP 75 Ca 0.00 -0.07 0.01 0.00 2.06 0.00 0.00 58.89 60.89 3hjq h TRP 75 Cb 1.55 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 29.55 3hjq h TRP 75 CO 0.70 0.56 -0.38 -1.35 -3.56 0.00 0.00 178.44 174.41 3hjq h PRO 76 N 0.28 -0.69 -0.75 0.49 0.11 -1.98 -0.51 132.00 128.95 3hjq h PRO 76 Ca 0.09 0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.31 3hjq h PRO 76 Cb 0.33 0.16 -0.10 0.00 0.11 0.00 0.00 31.00 31.49 3hjq h PRO 76 CO 0.00 -0.46 -0.56 1.25 -0.21 0.00 0.00 178.00 178.03 3hjq h LEU 77 N -0.71 -1.99 -0.42 2.35 5.85 -1.86 0.94 115.31 119.47 3hjq h LEU 77 Ca -0.01 0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 3hjq h LEU 77 Cb 0.68 0.86 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 3hjq h LEU 77 CO -0.13 -0.29 -0.12 0.15 -0.34 0.00 0.00 178.44 177.71 3hjq h PHE 78 N -0.14 0.93 -0.06 1.25 3.04 -0.56 -1.97 116.94 119.43 3hjq h PHE 78 Ca 0.12 -0.21 -0.24 0.00 3.98 0.00 0.00 57.97 61.63 3hjq h PHE 78 Cb 0.46 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 38.76 3hjq h PHE 78 CO -0.91 0.95 -0.90 -0.07 -2.02 0.00 0.00 178.31 175.36 3hjq h LEU 79 N 0.65 0.81 -1.02 0.59 3.38 -0.98 -0.77 115.31 117.97 3hjq h LEU 79 Ca 0.10 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3hjq h LEU 79 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3hjq h LEU 79 CO 0.05 1.39 0.32 0.44 0.09 0.00 0.00 178.44 180.73 3hjq h ASP 80 N 0.41 0.93 -0.12 -0.43 3.32 -0.67 -0.30 116.42 119.55 3hjq h ASP 80 Ca -0.08 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3hjq h ASP 80 Cb 1.53 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hjq h ASP 80 CO 0.17 0.80 -0.31 0.58 -1.72 0.00 0.00 179.24 178.76 3hjq h VAL 81 N 1.01 1.38 0.00 -1.35 2.07 -1.30 -3.32 116.25 114.75 3hjq h VAL 81 Ca 0.24 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3hjq h VAL 81 Cb 0.13 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3hjq h VAL 81 CO -0.03 0.48 -1.06 0.49 0.02 0.00 0.00 177.57 177.47 3hjq n PHE 82 N -4.40 0.00 0.00 1.57 3.72 -0.30 -4.22 117.46 113.83 3hjq n PHE 82 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3hjq n PHE 82 Cb 0.48 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3hjq n PHE 82 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hjq n ILE 83 N -1.57 0.00 0.17 4.37 2.08 -0.24 -4.84 119.36 119.33 3hjq n ILE 83 Ca 0.02 0.00 0.19 0.00 0.56 0.00 0.00 62.75 63.52 3hjq n ILE 83 Cb 0.33 -0.53 0.80 0.00 -0.75 0.00 0.00 39.64 39.48 3hjq n ILE 83 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3hjq h GLU 84 N 0.00 0.00 0.00 0.38 4.81 -1.34 -1.39 114.58 117.04 3hjq h GLU 84 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3hjq h GLU 84 Cb 0.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3hjq h GLU 84 CO 0.00 0.00 -0.19 1.12 -0.73 0.00 0.00 179.01 179.21 3hjq h HIS 85 N 0.00 0.00 -0.03 0.92 2.07 -1.84 -0.83 115.15 115.44 3hjq h HIS 85 Ca 0.13 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.45 3hjq h HIS 85 Cb 0.79 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.76 3hjq h HIS 85 CO 0.00 0.19 -0.84 0.77 -3.07 0.00 0.00 177.93 174.98 3hjq h SER 86 N 0.00 0.42 0.07 3.10 0.02 -1.61 -1.75 113.55 113.80 3hjq h SER 86 Ca -0.00 -0.31 -0.17 0.00 -0.84 0.00 0.00 61.79 60.47 3hjq h SER 86 Cb 0.39 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3hjq h SER 86 CO 0.02 1.09 -0.60 0.58 -1.14 0.00 0.00 176.83 176.78 3hjq h VAL 87 N 0.20 1.33 -0.35 2.27 2.07 -1.43 -2.13 116.25 118.22 3hjq h VAL 87 Ca -0.05 -1.88 -0.09 0.00 0.82 0.00 0.00 66.70 65.49 3hjq h VAL 87 Cb 1.45 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3hjq h VAL 87 CO 0.14 0.58 -0.15 -0.08 0.02 0.00 0.00 177.57 178.08 3hjq h GLU 88 N 0.39 0.72 -0.11 1.57 4.57 -1.23 -3.00 114.58 117.49 3hjq h GLU 88 Ca -0.00 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 57.90 3hjq h GLU 88 Cb 1.15 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3hjq h GLU 88 CO 0.11 0.91 0.08 1.49 -1.18 0.00 0.00 179.01 180.42 3hjq h GLU 89 N 0.50 0.00 0.52 1.92 4.81 -1.16 0.26 114.58 121.43 3hjq h GLU 89 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hjq h GLU 89 Cb 0.69 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.07 3hjq h GLU 89 CO 0.05 0.00 -0.25 0.28 -0.73 0.00 0.00 179.01 178.36 3hjq h VAL 90 N 0.00 0.41 -0.87 0.32 2.07 -1.40 -3.25 116.25 113.53 3hjq h VAL 90 Ca 0.05 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.37 3hjq h VAL 90 Cb 0.22 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3hjq h VAL 90 CO -0.00 0.04 0.51 0.25 0.02 0.00 0.00 177.57 178.39 3hjq h LEU 91 N -0.91 0.73 -2.05 2.57 5.85 -1.26 -1.80 115.31 118.43 3hjq h LEU 91 Ca -0.07 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3hjq h LEU 91 Cb 0.61 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3hjq h LEU 91 CO 0.12 0.40 0.36 0.00 -0.34 0.00 0.00 178.44 178.97 3hjq h ALA 92 N 1.49 1.75 0.00 1.25 0.00 -0.56 -2.33 119.26 120.86 3hjq h ALA 92 Ca 0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3hjq h ALA 92 Cb 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hjq h ALA 92 CO -0.26 -0.47 -0.38 0.00 0.00 0.00 0.00 179.25 178.14 3hjq h ARG 93 N 0.00 0.00 -0.11 0.00 3.08 -1.36 -3.24 114.38 112.75 3hjq h ARG 93 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hjq h ARG 93 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3hjq h ARG 93 CO -0.00 0.38 0.00 -1.13 -1.07 0.00 0.00 179.97 178.15 3hjq n SER 94 N -3.67 2.63 -4.59 7.04 3.41 -0.88 -4.97 113.62 112.61 3hjq n SER 94 Ca -0.01 -1.78 -0.34 0.00 -0.26 0.00 0.00 58.87 56.48 3hjq n SER 94 Cb 0.48 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3hjq n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hjq s ARG 95 N -1.38 3.15 -0.00 4.33 0.52 -1.23 -4.99 118.95 119.35 3hjq s ARG 95 Ca 0.23 -0.49 0.13 0.00 -0.52 0.00 0.00 55.73 55.08 3hjq s ARG 95 Cb 0.15 -2.77 -0.15 0.00 0.52 0.00 0.00 34.95 32.70 3hjq s ARG 95 CO 0.22 0.53 0.50 1.63 0.02 0.00 0.00 175.30 178.20 3hjq n LYS 96 N 2.65 2.39 0.00 3.54 5.02 -1.26 -4.98 118.16 125.52 3hjq n LYS 96 Ca -0.18 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 3hjq n LYS 96 Cb 0.53 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 3hjq n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hjq n GLY 97 N 1.38 -1.35 3.69 0.72 0.00 -1.26 -4.97 105.19 103.41 3hjq n GLY 97 Ca 0.02 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3hjq n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hjq n THR 98 N -0.25 1.30 -1.57 2.61 -1.04 -0.05 -4.90 114.28 110.38 3hjq n THR 98 Ca 0.00 -0.33 -0.49 0.00 -2.04 0.00 0.00 64.05 61.19 3hjq n THR 98 Cb 0.00 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 66.86 3hjq n THR 98 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3hjq n MET 99 N 1.57 1.11 -2.54 -2.82 0.00 -1.26 -4.96 117.12 108.22 3hjq n MET 99 Ca 0.09 0.39 -0.23 0.00 0.00 0.00 0.00 57.70 57.95 3hjq n MET 99 Cb 0.34 -1.90 0.09 0.00 0.00 0.00 0.00 33.22 31.75 3hjq n MET 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hjq s GLY 100 N 0.02 1.77 0.32 3.03 0.00 -1.26 -4.77 107.32 106.44 3hjq s GLY 100 Ca 0.75 -1.51 -0.07 0.00 0.00 0.00 0.00 44.72 43.88 3hjq s GLY 100 CO 0.52 -1.04 0.51 -0.45 0.00 0.00 0.00 173.10 172.65 3hjq s SER 101 N -4.63 0.47 0.65 1.64 0.15 -0.55 -4.82 113.70 106.62 3hjq s SER 101 Ca 0.63 -1.27 -0.17 0.00 0.70 0.00 0.00 55.95 55.84 3hjq s SER 101 Cb -0.07 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3hjq s SER 101 CO 0.43 -1.30 1.19 0.27 1.20 0.00 0.00 173.24 175.03 3hjq s ILE 102 N -3.25 2.62 0.14 6.45 -4.36 -1.26 -4.27 121.20 117.27 3hjq s ILE 102 Ca 0.26 0.34 -0.02 0.00 -0.26 0.00 0.00 60.65 60.97 3hjq s ILE 102 Cb -0.01 -3.01 -0.18 0.00 1.25 0.00 0.00 42.46 40.52 3hjq s ILE 102 CO 0.16 -0.13 1.32 -0.08 0.24 0.00 0.00 174.94 176.45 3hjq h GLU 103 N 0.37 0.35 -1.57 0.37 4.81 -1.92 -3.44 114.58 113.54 3hjq h GLU 103 Ca -0.49 -0.38 0.19 0.00 -0.13 0.00 0.00 59.36 58.55 3hjq h GLU 103 Cb 1.29 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 3hjq h GLU 103 CO 0.53 1.07 -0.30 0.41 -0.73 0.00 0.00 179.01 179.99 3hjq n GLY 104 N 0.94 -1.75 0.60 1.92 0.00 -1.26 -4.58 105.19 101.05 3hjq n GLY 104 Ca -0.06 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.72 3hjq n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hjq n PRO 105 N -2.77 1.78 -0.12 1.61 -0.02 -1.26 -4.27 135.00 129.94 3hjq n PRO 105 Ca -0.00 -1.18 0.04 0.00 -2.02 0.00 0.00 63.50 60.34 3hjq n PRO 105 Cb 0.32 -1.38 0.10 0.00 -0.02 0.00 0.00 33.50 32.52 3hjq n PRO 105 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hjq n TYR 106 N 0.41 0.31 -2.14 6.00 4.02 -1.26 -4.98 117.16 119.52 3hjq n TYR 106 Ca 0.16 -0.48 -0.41 0.00 -0.01 0.00 0.00 57.90 57.16 3hjq n TYR 106 Cb 0.34 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 3hjq n TYR 106 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hjq s TYR 107 N -0.98 3.17 -0.12 -0.72 5.04 -1.26 -5.03 117.35 117.45 3hjq s TYR 107 Ca 0.16 1.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 3hjq s TYR 107 Cb 0.08 -3.69 0.01 0.00 0.35 0.00 0.00 41.96 38.71 3hjq s TYR 107 CO 0.11 -2.25 -0.22 0.42 -1.34 0.00 0.00 175.55 172.27 3hjq s ILE 108 N 0.24 2.00 0.86 3.14 1.01 -1.26 -5.13 121.20 122.07 3hjq s ILE 108 Ca 0.59 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3hjq s ILE 108 Cb -0.38 -1.76 0.11 0.00 0.01 0.00 0.00 42.46 40.44 3hjq s ILE 108 CO 0.38 0.54 1.10 -1.61 0.00 0.00 0.00 174.94 175.36 3hjq s GLU 109 N 0.65 1.48 -1.78 2.79 2.02 -1.26 -4.05 118.70 118.55 3hjq s GLU 109 Ca -0.12 1.20 -0.00 0.00 0.02 0.00 0.00 54.97 56.08 3hjq s GLU 109 Cb -0.16 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3hjq s GLU 109 CO 0.02 -2.20 0.01 0.09 0.02 0.00 0.00 175.26 173.20 3hjq n ASN 110 N -3.90 -5.93 -4.64 -0.19 3.02 -1.26 -4.98 115.26 97.38 3hjq n ASN 110 Ca 0.09 -0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 3hjq n ASN 110 Cb 0.53 -4.93 0.04 0.00 -0.61 0.00 0.00 39.78 34.81 3hjq n ASN 110 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hjq n SER 111 N -2.00 1.35 -4.76 6.41 3.41 -1.26 -4.86 113.62 111.92 3hjq n SER 111 Ca -0.25 0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 3hjq n SER 111 Cb 0.69 -1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.20 3hjq n SER 111 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3hjq s PRO 112 N -2.55 4.16 0.36 4.33 0.02 -1.26 -3.97 135.00 136.09 3hjq s PRO 112 Ca 0.71 2.51 -0.27 0.00 0.02 0.00 0.00 61.00 63.96 3hjq s PRO 112 Cb -0.46 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 30.94 3hjq s PRO 112 CO 0.51 -0.54 1.25 -1.21 -0.33 0.00 0.00 177.00 176.68 3hjq s GLU 113 N -1.04 4.22 0.21 5.54 2.02 -1.26 -1.20 118.70 127.19 3hjq s GLU 113 Ca 0.58 2.06 0.04 0.00 0.02 0.00 0.00 54.97 57.68 3hjq s GLU 113 Cb -0.46 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3hjq s GLU 113 CO 0.52 -0.25 -0.04 -0.51 0.02 0.00 0.00 175.26 175.00 3hjq s LEU 114 N -2.08 2.33 0.87 1.80 1.43 -0.38 -4.85 118.68 117.80 3hjq s LEU 114 Ca 0.52 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3hjq s LEU 114 Cb -0.36 -0.34 0.12 0.00 0.03 0.00 0.00 46.19 45.64 3hjq s LEU 114 CO 0.47 -0.43 1.23 -2.16 0.23 0.00 0.00 176.35 175.69 3hjq s PRO 115 N -3.81 1.46 0.36 1.29 0.04 -1.26 -1.87 135.00 131.21 3hjq s PRO 115 Ca 0.25 -0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.27 3hjq s PRO 115 Cb 0.04 -1.91 0.73 0.00 0.04 0.00 0.00 34.50 33.40 3hjq s PRO 115 CO 0.06 -1.91 1.97 0.66 0.04 0.00 0.00 177.00 177.82 3hjq h SER 116 N -1.28 0.67 -3.34 6.66 4.64 -1.79 -3.33 113.55 115.78 3hjq h SER 116 Ca -0.45 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.21 3hjq h SER 116 Cb 1.30 -0.15 -0.28 0.00 -0.31 0.00 0.00 62.40 62.96 3hjq h SER 116 CO 0.56 0.44 -0.74 -0.75 -0.87 0.00 0.00 176.83 175.47 3hjq s LYS 117 N -5.68 3.37 0.29 4.77 2.20 -1.26 -0.49 119.74 122.95 3hjq s LYS 117 Ca -0.10 -0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 54.69 3hjq s LYS 117 Cb 0.19 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.66 3hjq s LYS 117 CO 0.77 -0.07 0.67 0.00 -0.36 0.00 0.00 175.35 176.36 3hjq s THR 119 N -3.64 3.26 0.42 0.00 2.01 -1.26 -1.81 115.64 114.63 3hjq s THR 119 Ca 0.15 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 3hjq s THR 119 Cb -0.04 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 3hjq s THR 119 CO 0.09 0.47 1.11 -0.76 -0.69 0.00 0.00 174.62 174.84 3hjq s LEU 120 N -1.13 4.09 0.31 4.42 1.43 -0.42 -4.92 118.68 122.46 3hjq s LEU 120 Ca 0.14 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 3hjq s LEU 120 Cb -0.11 -4.19 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 3hjq s LEU 120 CO 0.04 -0.69 1.47 -2.16 0.23 0.00 0.00 176.35 175.24 3hjq s PRO 121 N -2.55 4.20 0.14 1.29 0.04 -1.26 -4.81 135.00 132.05 3hjq s PRO 121 Ca 0.60 2.43 -0.15 0.00 0.04 0.00 0.00 61.00 63.92 3hjq s PRO 121 Cb -0.26 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.27 3hjq s PRO 121 CO 0.32 -0.47 0.41 0.00 0.04 0.00 0.00 177.00 177.30 3hjq s MET 122 N -1.11 1.14 0.70 4.56 0.23 -1.26 -0.34 119.30 123.22 3hjq s MET 122 Ca 0.57 -0.80 -0.09 0.00 -1.03 0.00 0.00 55.69 54.35 3hjq s MET 122 Cb -0.44 0.47 0.04 0.00 -1.53 0.00 0.00 34.83 33.37 3hjq s MET 122 CO 0.52 -0.45 1.04 1.03 -2.03 0.00 0.00 175.02 175.12 3hjq s ARG 123 N -3.84 2.46 0.32 3.16 0.52 -1.26 -4.93 118.95 115.39 3hjq s ARG 123 Ca 0.06 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 3hjq s ARG 123 Cb 0.01 -2.11 0.58 0.00 0.52 0.00 0.00 34.95 33.95 3hjq s ARG 123 CO -0.09 -1.14 1.93 0.93 0.02 0.00 0.00 175.30 176.95 3hjq h GLU 124 N -0.61 0.93 -0.31 3.54 5.08 -2.02 -0.82 114.58 120.37 3hjq h GLU 124 Ca -0.45 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 57.92 3hjq h GLU 124 Cb 1.29 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 3hjq h GLU 124 CO 0.62 0.62 -0.29 0.93 -1.00 0.00 0.00 179.01 179.90 3hjq h GLU 125 N 0.96 -0.25 -0.50 2.33 3.07 -2.03 -2.37 114.58 115.79 3hjq h GLU 125 Ca 0.35 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.38 3hjq h GLU 125 Cb 0.17 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3hjq h GLU 125 CO -0.12 -0.17 0.39 -0.44 -1.40 0.00 0.00 179.01 177.27 3hjq h ASP 126 N -0.26 0.00 0.51 1.42 3.32 -1.51 -1.23 116.42 118.67 3hjq h ASP 126 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hjq h ASP 126 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hjq h ASP 126 CO -0.46 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.44 3hjq n GLU 127 N -4.20 0.12 0.00 3.56 1.02 -0.89 -2.44 120.64 117.81 3hjq n GLU 127 Ca 0.09 0.15 0.14 0.00 -0.02 0.00 0.00 57.16 57.51 3hjq n GLU 127 Cb 0.60 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 31.05 3hjq n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hjq n LYS 128 N -1.40 0.07 -3.74 3.49 4.01 -0.46 -4.87 118.16 115.24 3hjq n LYS 128 Ca 0.07 -0.02 -0.33 0.00 -0.51 0.00 0.00 58.31 57.52 3hjq n LYS 128 Cb 0.19 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.16 3hjq n LYS 128 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3hjq s ILE 129 N -2.95 5.25 -0.10 -0.18 -1.09 -1.02 -5.02 121.20 116.10 3hjq s ILE 129 Ca 0.15 0.05 -0.38 0.00 -2.23 0.00 0.00 60.65 58.23 3hjq s ILE 129 Cb 0.19 -3.60 -0.16 0.00 -1.58 0.00 0.00 42.46 37.30 3hjq s ILE 129 CO 0.57 0.21 1.54 0.41 -1.23 0.00 0.00 174.94 176.44 3hjq n THR 130 N 0.61 0.16 -2.01 2.92 -1.04 -1.26 -4.83 114.28 108.83 3hjq n THR 130 Ca -0.07 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 3hjq n THR 130 Cb 0.52 -1.03 0.03 0.00 -1.82 0.00 0.00 70.33 68.03 3hjq n THR 130 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3hjq s PRO 131 N 2.03 3.21 -0.14 -2.82 0.02 -1.26 -1.93 135.00 134.10 3hjq s PRO 131 Ca 0.91 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.88 3hjq s PRO 131 Cb -1.01 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3hjq s PRO 131 CO 0.56 -1.04 -0.19 -1.17 -0.33 0.00 0.00 177.00 174.83 3hjq s LEU 132 N -3.67 2.31 -0.25 -5.54 2.96 0.91 -1.23 118.68 114.18 3hjq s LEU 132 Ca 0.73 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3hjq s LEU 132 Cb -0.33 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3hjq s LEU 132 CO 0.37 0.10 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.81 3hjq s VAL 133 N 0.73 3.54 -0.26 1.68 1.01 0.18 -0.71 120.40 126.57 3hjq s VAL 133 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3hjq s VAL 133 Cb -0.16 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3hjq s VAL 133 CO 0.01 0.29 -0.08 0.12 0.00 0.00 0.00 175.10 175.45 3hjq s PHE 134 N 1.47 3.20 0.25 5.22 5.36 0.13 -1.11 117.98 132.50 3hjq s PHE 134 Ca 0.04 -2.03 0.11 0.00 -0.96 0.00 0.00 56.93 54.09 3hjq s PHE 134 Cb -0.15 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.48 3hjq s PHE 134 CO -0.01 -0.83 -0.17 -1.12 -1.46 0.00 0.00 175.22 171.63 3hjq s SER 135 N 1.19 3.75 0.00 6.13 0.01 -0.03 -0.75 113.70 124.00 3hjq s SER 135 Ca -0.06 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.29 3hjq s SER 135 Cb -0.19 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.64 3hjq s SER 135 CO -0.04 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.27 3hjq n GLY 136 N -0.45 -0.98 3.00 3.44 0.00 -1.04 -0.57 105.19 108.58 3hjq n GLY 136 Ca -0.07 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3hjq n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hjq s GLN 137 N -1.51 0.15 -0.11 1.61 0.74 -1.26 -2.20 119.66 117.08 3hjq s GLN 137 Ca 0.00 0.24 -0.23 0.00 0.05 0.00 0.00 55.36 55.41 3hjq s GLN 137 Cb 0.00 0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 3hjq s GLN 137 CO 0.00 -0.05 0.72 0.08 -0.55 0.00 0.00 175.29 175.49 3hjq s VAL 138 N 0.31 5.00 0.29 1.34 1.01 0.21 -1.37 120.40 127.20 3hjq s VAL 138 Ca -0.02 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.44 3hjq s VAL 138 Cb -0.03 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hjq s VAL 138 CO -0.01 0.18 0.12 0.42 0.00 0.00 0.00 175.10 175.81 3hjq s THR 139 N 1.29 0.49 0.34 3.92 -4.23 0.64 -0.66 115.64 117.43 3hjq s THR 139 Ca 0.36 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3hjq s THR 139 Cb -0.17 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.17 3hjq s THR 139 CO 0.16 0.00 0.47 -0.90 -0.54 0.00 0.00 174.62 173.80 3hjq n ASP 140 N -0.73 0.59 0.08 3.99 5.68 -0.51 -1.51 116.55 124.13 3hjq n ASP 140 Ca -0.00 -1.51 0.15 0.00 -0.50 0.00 0.00 54.79 52.93 3hjq n ASP 140 Cb 0.66 -0.31 0.65 0.00 -1.14 0.00 0.00 41.12 40.98 3hjq n ASP 140 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3hjq h LEU 141 N 0.00 0.04 0.00 -2.12 4.07 -1.91 -2.17 115.31 113.22 3hjq h LEU 141 Ca -0.15 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3hjq h LEU 141 Cb 0.56 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 3hjq h LEU 141 CO 0.16 0.03 -0.69 0.44 -1.08 0.00 0.00 178.44 177.30 3hjq h ASP 142 N 0.05 0.00 0.00 -0.43 3.32 -1.94 -3.48 116.42 113.94 3hjq h ASP 142 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3hjq h ASP 142 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3hjq h ASP 142 CO -0.01 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3hjq n GLY 143 N 1.16 1.22 3.70 2.75 0.00 -0.82 -5.09 105.19 108.12 3hjq n GLY 143 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hjq n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjq s ASN 144 N -2.00 6.84 0.66 1.61 0.02 -1.26 -4.78 114.94 116.04 3hjq s ASN 144 Ca 0.00 2.22 -0.17 0.00 -1.02 0.00 0.00 52.86 53.88 3hjq s ASN 144 Cb 0.00 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.68 3hjq s ASN 144 CO 0.00 -0.69 1.07 0.61 0.02 0.00 0.00 177.10 178.11 3hjq n GLY 145 N 3.58 -0.09 3.02 0.66 0.00 -1.26 -1.43 105.19 109.67 3hjq n GLY 145 Ca 0.12 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3hjq n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hjq s LEU 146 N -3.21 3.00 0.65 0.99 1.43 0.16 -4.84 118.68 116.86 3hjq s LEU 146 Ca 0.77 -1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3hjq s LEU 146 Cb -0.38 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 3hjq s LEU 146 CO 0.46 -0.19 1.08 0.00 0.23 0.00 0.00 176.35 177.92 3hjq s ALA 147 N 1.23 2.60 0.00 4.21 0.00 -1.17 -2.87 121.76 125.76 3hjq s ALA 147 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3hjq s ALA 147 Cb -0.19 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3hjq s ALA 147 CO -0.06 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3hjq n GLY 148 N -1.05 0.87 3.79 0.00 0.00 -1.26 -4.65 105.19 102.88 3hjq n GLY 148 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3hjq n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjq s ALA 149 N -3.52 3.35 -0.03 4.61 0.00 -1.24 -4.54 121.76 120.39 3hjq s ALA 149 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.40 3hjq s ALA 149 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3hjq s ALA 149 CO 0.00 0.26 -0.21 0.15 0.00 0.00 0.00 175.76 175.96 3hjq s LYS 150 N -1.69 1.88 -0.28 0.00 1.02 -0.68 -0.22 119.74 119.77 3hjq s LYS 150 Ca 0.43 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 3hjq s LYS 150 Cb -0.20 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3hjq s LYS 150 CO 0.24 0.42 -0.01 0.08 -0.92 0.00 0.00 175.35 175.16 3hjq s VAL 151 N -0.36 3.08 -0.27 3.17 1.01 -0.03 -1.17 120.40 125.83 3hjq s VAL 151 Ca 0.05 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 3hjq s VAL 151 Cb -0.10 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3hjq s VAL 151 CO 0.00 0.05 0.56 -1.61 0.00 0.00 0.00 175.10 174.10 3hjq s GLU 152 N 1.32 4.05 -0.04 2.72 2.02 0.15 0.09 118.70 129.01 3hjq s GLU 152 Ca -0.02 0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.41 3hjq s GLU 152 Cb -0.18 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 3hjq s GLU 152 CO -0.02 -0.40 -0.25 -1.17 0.02 0.00 0.00 175.26 173.44 3hjq s LEU 153 N 2.40 2.11 -0.12 1.80 2.96 -0.61 -0.09 118.68 127.12 3hjq s LEU 153 Ca 0.23 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 3hjq s LEU 153 Cb -0.16 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.22 3hjq s LEU 153 CO 0.09 0.29 0.52 -1.66 -1.32 0.00 0.00 176.35 174.28 3hjq s TRP 154 N -0.45 -0.51 0.19 5.38 -2.14 -0.62 -1.95 118.94 118.85 3hjq s TRP 154 Ca 0.05 1.09 -0.23 0.00 2.66 0.00 0.00 56.10 59.67 3hjq s TRP 154 Cb -0.11 0.23 0.05 0.00 -3.10 0.00 0.00 33.47 30.54 3hjq s TRP 154 CO 0.01 -0.39 0.72 -3.38 -2.66 0.00 0.00 176.95 171.25 3hjq s HIS 155 N -0.45 -0.32 0.61 1.66 -3.43 -1.05 -0.85 115.29 111.45 3hjq s HIS 155 Ca -0.06 0.00 -0.15 0.00 -0.80 0.00 0.00 55.06 54.06 3hjq s HIS 155 Cb -0.03 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 3hjq s HIS 155 CO 0.04 -0.98 1.05 0.00 -2.00 0.00 0.00 174.74 172.85 3hjq s ALA 156 N -3.70 2.74 0.83 -1.38 0.00 -1.26 -4.77 121.76 114.22 3hjq s ALA 156 Ca 0.07 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 3hjq s ALA 156 Cb -0.03 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 20.01 3hjq s ALA 156 CO -0.02 -0.86 1.16 0.16 0.00 0.00 0.00 175.76 176.20 3hjq s ASP 157 N -2.96 3.90 0.36 0.00 1.47 -0.30 -4.72 116.67 114.40 3hjq s ASP 157 Ca 0.62 0.19 0.18 0.00 1.18 0.00 0.00 52.55 54.72 3hjq s ASP 157 Cb -0.15 -0.48 0.96 0.00 -0.34 0.00 0.00 42.92 42.91 3hjq s ASP 157 CO 0.40 -2.21 1.48 -1.13 0.68 0.00 0.00 175.17 174.39 3hjq h ASN 158 N -1.09 0.00 -0.31 2.11 -1.24 -1.90 0.23 115.58 113.38 3hjq h ASN 158 Ca -0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.59 3hjq h ASN 158 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 3hjq h ASN 158 CO 0.45 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.06 3hjq n ASP 159 N -2.20 2.39 -0.52 1.15 8.00 -1.26 -4.91 116.55 119.20 3hjq n ASP 159 Ca -0.01 -1.87 -0.06 0.00 0.71 0.00 0.00 54.79 53.56 3hjq n ASP 159 Cb 0.23 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3hjq n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hjq n GLY 160 N 1.27 0.70 3.66 0.44 0.00 0.82 -5.02 105.19 107.06 3hjq n GLY 160 Ca 0.17 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 3hjq n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjq s TYR 161 N -2.25 2.97 -0.09 1.61 1.51 -1.26 -4.81 117.35 115.04 3hjq s TYR 161 Ca 0.00 -0.01 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3hjq s TYR 161 Cb 0.00 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 3hjq s TYR 161 CO 0.00 0.45 -0.06 0.71 -1.11 0.00 0.00 175.55 175.53 3hjq s TYR 162 N -1.18 2.96 0.29 2.71 1.51 -1.26 -1.15 117.35 121.22 3hjq s TYR 162 Ca 0.22 -0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 3hjq s TYR 162 Cb -0.11 -1.76 -0.12 0.00 -0.11 0.00 0.00 41.96 39.85 3hjq s TYR 162 CO 0.14 0.25 1.44 -1.13 -1.11 0.00 0.00 175.55 175.13 3hjq n SER 163 N 2.52 3.14 0.00 2.29 3.41 -1.26 -1.08 113.62 122.63 3hjq n SER 163 Ca -0.18 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 3hjq n SER 163 Cb 0.53 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3hjq n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjq n GLN 164 N 1.64 0.00 -0.44 4.33 6.02 -1.26 -4.76 117.38 122.91 3hjq n GLN 164 Ca 0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.14 3hjq n GLN 164 Cb 0.34 -2.50 0.11 0.00 1.02 0.00 0.00 30.24 29.21 3hjq n GLN 164 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hjq n PHE 165 N -2.10 0.00 -3.19 1.08 3.01 -0.24 -4.96 117.46 111.06 3hjq n PHE 165 Ca 0.00 -0.79 0.04 0.00 1.01 0.00 0.00 57.45 57.71 3hjq n PHE 165 Cb 0.00 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.31 3hjq n PHE 165 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hjq s ALA 166 N -1.92 -2.75 0.50 4.37 0.00 -1.18 -4.67 121.76 116.10 3hjq s ALA 166 Ca 0.25 1.72 0.28 0.00 0.00 0.00 0.00 51.96 54.21 3hjq s ALA 166 Cb 0.24 -2.28 1.52 0.00 0.00 0.00 0.00 23.12 22.60 3hjq s ALA 166 CO -0.02 -1.34 1.84 -1.35 0.00 0.00 0.00 175.76 174.88 3hjq h PRO 167 N 7.97 0.00 0.00 0.00 0.11 -1.93 -2.71 132.00 135.44 3hjq h PRO 167 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3hjq h PRO 167 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hjq h PRO 167 CO 0.10 0.00 -0.59 -2.39 -0.21 0.00 0.00 178.00 174.91 3hjq n HIS 168 N -2.72 0.02 -3.59 0.65 1.44 -1.26 -4.91 115.22 104.85 3hjq n HIS 168 Ca -0.02 0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 3hjq n HIS 168 Cb 0.32 -0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 3hjq n HIS 168 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hjq s LEU 169 N -3.06 4.45 0.41 2.39 1.43 -1.02 -5.06 118.68 118.22 3hjq s LEU 169 Ca 0.10 0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 53.81 3hjq s LEU 169 Cb 0.17 -2.47 -0.12 0.00 0.03 0.00 0.00 46.19 43.81 3hjq s LEU 169 CO 0.73 0.34 0.78 -2.65 0.23 0.00 0.00 176.35 175.78 3hjq n PRO 170 N 1.87 0.93 0.27 1.29 -0.02 -1.26 -4.61 135.00 133.47 3hjq n PRO 170 Ca -0.15 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3hjq n PRO 170 Cb 0.53 -1.76 0.72 0.00 -0.02 0.00 0.00 33.50 32.98 3hjq n PRO 170 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hjq h GLU 171 N 1.17 0.00 -0.22 -0.52 4.11 -1.96 -2.12 114.58 115.04 3hjq h GLU 171 Ca -0.42 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.95 3hjq h GLU 171 Cb 1.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 3hjq h GLU 171 CO 0.54 0.04 -0.08 0.91 0.07 0.00 0.00 179.01 180.49 3hjq n TRP 172 N -4.20 0.71 -1.67 2.06 7.02 -1.26 -4.36 117.44 115.75 3hjq n TRP 172 Ca -0.03 -1.23 -0.48 0.00 -1.02 0.00 0.00 57.50 54.74 3hjq n TRP 172 Cb 0.12 -0.34 -0.05 0.00 -2.42 0.00 0.00 31.31 28.62 3hjq n TRP 172 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3hjq n ASN 173 N -0.98 2.96 -3.57 -0.99 4.05 -0.80 -2.06 115.26 113.88 3hjq n ASN 173 Ca 0.24 1.05 -0.27 0.00 0.45 0.00 0.00 54.58 56.06 3hjq n ASN 173 Cb 0.88 -1.36 0.02 0.00 1.23 0.00 0.00 39.78 40.55 3hjq n ASN 173 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hjq n LEU 174 N 4.44 -2.33 -4.00 1.20 4.77 0.54 -4.47 117.00 117.16 3hjq n LEU 174 Ca 0.20 -0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 55.48 3hjq n LEU 174 Cb 0.27 -2.54 -0.12 0.00 -2.33 0.00 0.00 43.42 38.69 3hjq n LEU 174 CO 0.68 0.34 -0.39 -0.13 -1.33 0.00 0.00 177.39 176.56 3hjq s ARG 175 N -6.26 0.41 0.00 3.23 0.52 -0.87 -2.53 118.95 113.45 3hjq s ARG 175 Ca 0.52 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3hjq s ARG 175 Cb -0.26 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 34.99 3hjq s ARG 175 CO 0.64 0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.42 3hjq n GLY 176 N 2.04 1.26 3.08 -3.53 0.00 -0.82 -4.48 105.19 102.75 3hjq n GLY 176 Ca -0.19 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 3hjq n GLY 176 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjq s THR 177 N -2.00 3.03 -0.06 2.61 2.01 -0.34 -1.57 115.64 119.32 3hjq s THR 177 Ca 0.00 -2.33 -0.28 0.00 0.31 0.00 0.00 61.69 59.39 3hjq s THR 177 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3hjq s THR 177 CO 0.00 -0.70 0.92 -0.63 -0.69 0.00 0.00 174.62 173.52 3hjq s ILE 178 N 0.84 4.88 -0.42 1.82 1.09 0.11 -1.25 121.20 128.27 3hjq s ILE 178 Ca 0.11 1.90 -0.22 0.00 -1.10 0.00 0.00 60.65 61.34 3hjq s ILE 178 Cb -0.22 -4.25 0.02 0.00 -1.06 0.00 0.00 42.46 36.95 3hjq s ILE 178 CO -0.05 0.12 0.70 -0.63 -0.10 0.00 0.00 174.94 174.98 3hjq s ILE 179 N 1.37 4.78 0.49 2.92 -1.09 -0.78 -0.85 121.20 128.03 3hjq s ILE 179 Ca 0.47 0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 59.04 3hjq s ILE 179 Cb -0.19 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 3hjq s ILE 179 CO 0.22 -0.57 1.14 0.00 -1.23 0.00 0.00 174.94 174.50 3hjq s ALA 180 N 2.97 2.86 1.04 9.38 0.00 0.69 -2.35 121.76 136.34 3hjq s ALA 180 Ca 0.26 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 3hjq s ALA 180 Cb -0.13 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.83 3hjq s ALA 180 CO 0.19 -0.67 1.08 0.16 0.00 0.00 0.00 175.76 176.52 3hjq s ASP 181 N -1.57 2.24 0.43 0.00 1.47 -0.62 -4.44 116.67 114.18 3hjq s ASP 181 Ca 0.67 1.24 0.37 0.00 1.18 0.00 0.00 52.55 56.02 3hjq s ASP 181 Cb -0.26 -1.93 1.38 0.00 -0.34 0.00 0.00 42.92 41.77 3hjq s ASP 181 CO 0.30 -3.38 1.30 -1.84 0.68 0.00 0.00 175.17 172.23 3hjq n GLU 182 N -4.34 -0.01 0.00 2.11 -0.00 -1.26 0.20 120.64 117.34 3hjq n GLU 182 Ca 0.05 0.95 0.13 0.00 -0.00 0.00 0.00 57.16 58.29 3hjq n GLU 182 Cb 0.57 -2.07 0.45 0.00 -0.00 0.00 0.00 31.44 30.38 3hjq n GLU 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hjq n GLU 183 N -3.84 0.76 -2.13 3.44 -0.58 -1.26 -3.04 120.64 113.98 3hjq n GLU 183 Ca 0.36 -0.39 -0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3hjq n GLU 183 Cb 1.56 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3hjq n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hjq n GLY 184 N 1.33 0.52 3.86 0.62 0.00 0.53 -2.77 105.19 109.28 3hjq n GLY 184 Ca 0.13 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3hjq n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hjq s ARG 185 N -4.27 3.12 -0.06 1.61 0.52 -1.25 0.68 118.95 119.30 3hjq s ARG 185 Ca 0.00 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 3hjq s ARG 185 Cb -0.00 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.72 3hjq s ARG 185 CO 0.00 0.50 0.35 1.52 0.02 0.00 0.00 175.30 177.70 3hjq s TYR 186 N -1.74 -0.29 -0.22 -0.53 1.13 -0.93 -1.59 117.35 113.18 3hjq s TYR 186 Ca 0.32 0.58 -0.02 0.00 -1.41 0.00 0.00 57.07 56.54 3hjq s TYR 186 Cb -0.11 0.13 0.07 0.00 -1.10 0.00 0.00 41.96 40.95 3hjq s TYR 186 CO 0.25 -0.33 0.04 -2.00 -2.51 0.00 0.00 175.55 171.01 3hjq s GLU 187 N -0.76 0.70 -0.16 -3.49 2.12 0.36 -2.51 118.70 114.95 3hjq s GLU 187 Ca -0.08 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.69 3hjq s GLU 187 Cb -0.04 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.28 3hjq s GLU 187 CO 0.03 -0.71 -0.18 0.42 -0.54 0.00 0.00 175.26 174.28 3hjq s ILE 188 N 1.80 2.40 -0.13 -3.70 1.01 0.07 -1.55 121.20 121.10 3hjq s ILE 188 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 3hjq s ILE 188 Cb -0.17 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3hjq s ILE 188 CO -0.12 0.52 0.08 -0.89 0.00 0.00 0.00 174.94 174.53 3hjq s THR 189 N 0.98 4.96 0.00 2.92 2.01 -0.75 0.17 115.64 125.93 3hjq s THR 189 Ca -0.02 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3hjq s THR 189 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3hjq s THR 189 CO -0.04 0.57 0.00 1.07 -0.69 0.00 0.00 174.62 175.53 3hjq n THR 190 N 2.50 0.00 -3.84 -0.82 5.66 0.11 -1.30 114.28 116.60 3hjq n THR 190 Ca -0.18 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.57 3hjq n THR 190 Cb 0.54 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 3hjq n THR 190 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3hjq s ILE 191 N -2.16 5.26 -0.22 1.09 -4.36 -1.26 -0.06 121.20 119.49 3hjq s ILE 191 Ca 0.00 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 59.43 3hjq s ILE 191 Cb 0.00 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 3hjq s ILE 191 CO 0.00 -0.22 1.48 -1.58 0.24 0.00 0.00 174.94 174.87 3hjq s GLN 192 N -3.56 3.92 0.74 0.37 2.00 -0.81 -4.53 119.66 117.79 3hjq s GLN 192 Ca 0.36 1.59 -0.13 0.00 -2.00 0.00 0.00 55.36 55.19 3hjq s GLN 192 Cb -0.10 -3.95 0.04 0.00 0.80 0.00 0.00 33.01 29.80 3hjq s GLN 192 CO 0.29 -1.13 1.11 -2.14 -0.50 0.00 0.00 175.29 172.93 3hjq s PRO 193 N 4.32 2.36 0.26 1.67 0.02 -1.26 -4.84 135.00 137.53 3hjq s PRO 193 Ca 0.65 1.33 0.11 0.00 0.02 0.00 0.00 61.00 63.11 3hjq s PRO 193 Cb -0.23 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 3hjq s PRO 193 CO 0.26 -1.59 -0.14 0.00 -0.33 0.00 0.00 177.00 175.20 3hjq s ALA 194 N -2.59 2.87 0.26 -1.55 0.00 -1.26 -4.75 121.76 114.74 3hjq s ALA 194 Ca 0.65 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 3hjq s ALA 194 Cb -0.20 -0.46 -0.14 0.00 0.00 0.00 0.00 23.12 22.32 3hjq s ALA 194 CO 0.50 0.31 1.10 -2.30 0.00 0.00 0.00 175.76 175.37 3hjq n PRO 195 N -0.56 1.43 -4.79 0.00 -0.02 -1.26 -4.37 135.00 125.43 3hjq n PRO 195 Ca -0.07 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 3hjq n PRO 195 Cb 0.59 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 3hjq n PRO 195 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hjq s TYR 196 N -0.76 2.80 -0.13 6.00 6.14 -0.66 -4.78 117.35 125.95 3hjq s TYR 196 Ca 0.63 -0.58 -0.18 0.00 0.64 0.00 0.00 57.07 57.58 3hjq s TYR 196 Cb -0.72 -1.82 -0.04 0.00 0.42 0.00 0.00 41.96 39.80 3hjq s TYR 196 CO 0.57 -0.16 0.48 -1.14 0.64 0.00 0.00 175.55 175.94 3hjq s GLN 197 N 0.21 4.31 0.71 4.97 0.74 -1.26 0.02 119.66 129.36 3hjq s GLN 197 Ca -0.08 0.43 -0.13 0.00 0.05 0.00 0.00 55.36 55.62 3hjq s GLN 197 Cb -0.15 -3.46 0.03 0.00 1.10 0.00 0.00 33.01 30.53 3hjq s GLN 197 CO 0.05 0.11 1.12 0.96 -0.55 0.00 0.00 175.29 176.98 3hjq s ILE 198 N 0.79 3.09 0.31 -2.34 -4.36 -0.08 -4.94 121.20 113.67 3hjq s ILE 198 Ca 0.25 0.45 -0.29 0.00 -0.26 0.00 0.00 60.65 60.80 3hjq s ILE 198 Cb -0.15 -2.94 -0.12 0.00 1.25 0.00 0.00 42.46 40.50 3hjq s ILE 198 CO 0.10 -0.36 1.46 -2.65 0.24 0.00 0.00 174.94 173.73 3hjq n PRO 199 N -2.87 2.40 0.00 0.37 -0.02 -1.26 -4.89 135.00 128.73 3hjq n PRO 199 Ca 0.10 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3hjq n PRO 199 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3hjq n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hjq n THR 200 N 1.35 0.00 0.12 3.45 -2.24 -1.26 -3.99 114.28 111.71 3hjq n THR 200 Ca 0.07 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3hjq n THR 200 Cb 0.36 1.15 0.13 0.00 -2.10 0.00 0.00 70.33 69.87 3hjq n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hjq n ASP 201 N -0.36 3.17 -3.84 3.42 5.68 -1.26 -3.92 116.55 119.45 3hjq n ASP 201 Ca 0.00 -2.53 -0.25 0.00 -0.50 0.00 0.00 54.79 51.51 3hjq n ASP 201 Cb 0.04 -0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 39.34 3hjq n ASP 201 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hjq n GLY 202 N 0.06 3.34 0.32 6.12 0.00 -1.26 -5.02 105.19 108.74 3hjq n GLY 202 Ca 0.18 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 44.21 3hjq n GLY 202 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hjq h PRO 203 N 0.00 0.00 -0.07 1.61 0.11 -1.89 -0.98 132.00 130.78 3hjq h PRO 203 Ca -0.31 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 3hjq h PRO 203 Cb 1.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hjq h PRO 203 CO 0.50 0.00 -0.37 1.15 -0.21 0.00 0.00 178.00 179.07 3hjq h THR 204 N 0.00 1.42 -0.21 -1.15 2.02 -1.91 -2.17 112.91 110.91 3hjq h THR 204 Ca 0.07 -1.77 -0.10 0.00 0.77 0.00 0.00 66.41 65.38 3hjq h THR 204 Cb 0.35 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3hjq h THR 204 CO -0.00 0.51 -0.30 1.23 0.37 0.00 0.00 175.52 177.33 3hjq h GLY 205 N -0.11 0.45 1.45 2.16 0.00 -1.58 -2.54 103.07 102.90 3hjq h GLY 205 Ca -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3hjq h GLY 205 CO 0.08 0.35 0.22 -1.61 0.00 0.00 0.00 176.54 175.57 3hjq h GLN 206 N 0.36 0.71 -0.57 4.80 4.15 -1.20 0.25 115.11 123.62 3hjq h GLN 206 Ca 0.05 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 3hjq h GLN 206 Cb 0.71 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3hjq h GLN 206 CO 0.05 0.57 0.00 0.35 -1.93 0.00 0.00 178.83 177.88 3hjq h PHE 207 N 0.71 1.09 -0.10 3.99 3.57 -0.99 -1.43 116.94 123.77 3hjq h PHE 207 Ca 0.17 -0.19 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 3hjq h PHE 207 Cb 0.11 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.58 3hjq h PHE 207 CO 0.01 0.98 -0.65 0.82 -2.23 0.00 0.00 178.31 177.23 3hjq h ILE 208 N 0.88 1.33 -0.36 1.41 2.04 -1.09 -3.24 117.51 118.49 3hjq h ILE 208 Ca 0.16 -1.93 0.03 0.00 1.00 0.00 0.00 64.86 64.11 3hjq h ILE 208 Cb 0.54 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3hjq h ILE 208 CO 0.03 0.59 0.18 -0.08 0.00 0.00 0.00 178.15 178.87 3hjq h GLU 209 N 0.26 0.36 0.00 2.37 4.57 -0.46 -1.60 114.58 120.08 3hjq h GLU 209 Ca -0.05 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3hjq h GLU 209 Cb 1.30 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3hjq h GLU 209 CO 0.13 0.24 -0.01 0.00 -1.18 0.00 0.00 179.01 178.19 3hjq h ALA 210 N 1.19 1.09 -0.42 2.92 0.00 -1.35 -2.30 119.26 120.39 3hjq h ALA 210 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hjq h ALA 210 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hjq h ALA 210 CO -0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3hjq n GLN 211 N -3.23 3.42 -3.00 0.00 10.64 -1.05 -4.96 117.38 119.19 3hjq n GLN 211 Ca -0.02 -2.75 -0.20 0.00 -1.83 0.00 0.00 57.00 52.19 3hjq n GLN 211 Cb 0.13 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 3hjq n GLN 211 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hjq n ASN 212 N 0.25 -4.41 -2.40 2.61 3.02 -0.87 -5.01 115.26 108.46 3hjq n ASN 212 Ca 0.22 -0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.52 3hjq n ASN 212 Cb 0.85 -3.65 0.03 0.00 -0.61 0.00 0.00 39.78 36.41 3hjq n ASN 212 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjq n GLY 213 N -1.15 -0.66 3.19 7.41 0.00 -0.63 -5.04 105.19 108.31 3hjq n GLY 213 Ca -0.08 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3hjq n GLY 213 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hjq s HIS 214 N -1.23 1.44 -0.49 1.61 -3.43 -1.26 -4.69 115.29 107.24 3hjq s HIS 214 Ca 0.14 -0.38 0.02 0.00 -0.80 0.00 0.00 55.06 54.04 3hjq s HIS 214 Cb -0.00 -0.84 0.55 0.00 -1.43 0.00 0.00 32.58 30.85 3hjq s HIS 214 CO 0.10 0.07 1.91 -0.35 -2.00 0.00 0.00 174.74 174.47 3hjq n PRO 215 N 1.71 2.30 -3.97 -0.38 -0.04 -1.26 -4.74 135.00 128.62 3hjq n PRO 215 Ca -0.18 -2.87 -0.36 0.00 -0.04 0.00 0.00 63.50 60.04 3hjq n PRO 215 Cb 0.54 -2.13 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 3hjq n PRO 215 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hjq s TRP 216 N -3.22 3.47 -0.02 0.54 0.52 -1.26 -0.90 118.94 118.06 3hjq s TRP 216 Ca 0.55 0.41 0.01 0.00 0.02 0.00 0.00 56.10 57.09 3hjq s TRP 216 Cb 0.45 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3hjq s TRP 216 CO 0.06 0.60 -0.00 1.03 0.02 0.00 0.00 176.95 178.66 3hjq s ARG 217 N -0.77 2.83 0.91 4.98 0.52 0.10 -1.94 118.95 125.59 3hjq s ARG 217 Ca 0.13 -0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 54.65 3hjq s ARG 217 Cb -0.12 -2.69 0.06 0.00 0.52 0.00 0.00 34.95 32.72 3hjq s ARG 217 CO 0.03 0.64 0.66 -0.35 0.02 0.00 0.00 175.30 176.31 3hjq n PRO 218 N 1.60 -0.25 -1.93 3.54 -0.04 -1.26 -1.66 135.00 135.01 3hjq n PRO 218 Ca -0.16 -0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 62.90 3hjq n PRO 218 Cb 0.53 -2.03 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 3hjq n PRO 218 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hjq s ALA 219 N -2.39 3.01 -0.05 0.55 0.00 -1.26 -4.25 121.76 117.36 3hjq s ALA 219 Ca 0.61 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 3hjq s ALA 219 Cb -0.23 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.45 3hjq s ALA 219 CO 0.63 -1.10 0.76 -3.38 0.00 0.00 0.00 175.76 172.67 3hjq s HIS 220 N -1.32 -0.56 -0.08 0.00 -3.43 -1.26 -4.12 115.29 104.52 3hjq s HIS 220 Ca 0.65 0.88 -0.03 0.00 -0.80 0.00 0.00 55.06 55.77 3hjq s HIS 220 Cb -0.38 0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 3hjq s HIS 220 CO 0.47 -0.56 0.03 -0.51 -2.00 0.00 0.00 174.74 172.17 3hjq s LEU 221 N -1.39 3.76 -0.05 5.38 1.43 -0.20 -4.65 118.68 122.95 3hjq s LEU 221 Ca -0.07 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3hjq s LEU 221 Cb -0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3hjq s LEU 221 CO 0.05 0.37 0.14 -1.00 0.23 0.00 0.00 176.35 176.14 3hjq s HIS 222 N -0.94 3.49 -0.09 0.29 3.76 -0.03 -1.08 115.29 120.68 3hjq s HIS 222 Ca 0.15 0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 55.37 3hjq s HIS 222 Cb -0.12 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.77 3hjq s HIS 222 CO 0.04 0.65 0.23 -0.51 -0.85 0.00 0.00 174.74 174.29 3hjq s LEU 223 N -1.52 0.73 -0.22 0.89 1.43 -0.42 -1.59 118.68 117.98 3hjq s LEU 223 Ca 0.21 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3hjq s LEU 223 Cb -0.12 0.71 0.00 0.00 0.03 0.00 0.00 46.19 46.81 3hjq s LEU 223 CO 0.12 -0.13 -0.07 -0.63 0.23 0.00 0.00 176.35 175.87 3hjq s ILE 224 N 0.80 3.08 -0.14 -0.59 1.01 0.87 -0.84 121.20 125.39 3hjq s ILE 224 Ca -0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 3hjq s ILE 224 Cb -0.07 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3hjq s ILE 224 CO -0.05 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.47 3hjq s VAL 225 N 1.42 2.98 0.09 2.92 1.01 -0.31 0.31 120.40 128.82 3hjq s VAL 225 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hjq s VAL 225 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3hjq s VAL 225 CO -0.05 0.52 -0.09 -0.44 0.00 0.00 0.00 175.10 175.04 3hjq s SER 226 N 0.49 1.33 -0.00 3.32 0.01 -0.32 -1.20 113.70 117.33 3hjq s SER 226 Ca -0.09 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.05 3hjq s SER 226 Cb -0.16 0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.17 3hjq s SER 226 CO 0.04 -0.30 0.65 0.00 0.41 0.00 0.00 173.24 174.04 3hjq s ALA 227 N -2.62 -1.71 0.11 1.44 0.00 -1.26 -1.69 121.76 116.02 3hjq s ALA 227 Ca 0.06 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3hjq s ALA 227 Cb -0.02 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 3hjq s ALA 227 CO -0.01 -0.46 1.86 -2.30 0.00 0.00 0.00 175.76 174.86 3hjq n PRO 228 N 0.62 2.81 -0.44 0.00 -0.02 -1.26 -0.74 135.00 135.96 3hjq n PRO 228 Ca -0.19 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3hjq n PRO 228 Cb 0.59 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3hjq n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjq n GLY 229 N 4.29 1.16 3.84 -1.23 0.00 -1.26 -5.04 105.19 106.95 3hjq n GLY 229 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3hjq n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjq s LYS 230 N -0.36 3.05 -0.19 1.61 -0.14 0.08 -1.10 119.74 122.69 3hjq s LYS 230 Ca 0.00 -0.78 -0.29 0.00 -1.36 0.00 0.00 55.97 53.54 3hjq s LYS 230 Cb 0.00 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3hjq s LYS 230 CO 0.00 0.50 1.04 -2.00 -0.76 0.00 0.00 175.35 174.13 3hjq s GLU 231 N -3.08 4.31 0.55 1.68 2.12 -0.47 -4.30 118.70 119.51 3hjq s GLU 231 Ca 0.32 1.39 -0.20 0.00 0.36 0.00 0.00 54.97 56.84 3hjq s GLU 231 Cb -0.10 -3.61 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 3hjq s GLU 231 CO 0.25 -0.53 0.88 0.43 -0.54 0.00 0.00 175.26 175.74 3hjq n SER 232 N 5.91 0.49 -4.24 -1.70 7.64 -1.26 -4.32 113.62 116.14 3hjq n SER 232 Ca 0.11 0.85 -0.32 0.00 1.01 0.00 0.00 58.87 60.53 3hjq n SER 232 Cb 0.47 -1.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.17 3hjq n SER 232 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hjq s VAL 233 N -1.50 2.04 -0.20 0.44 0.11 -0.34 -4.97 120.40 115.97 3hjq s VAL 233 Ca 0.71 -1.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 3hjq s VAL 233 Cb -0.46 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 3hjq s VAL 233 CO 0.51 0.56 0.02 -0.89 -3.33 0.00 0.00 175.10 171.98 3hjq s THR 234 N 0.12 4.18 0.34 5.04 2.01 -1.26 -1.16 115.64 124.92 3hjq s THR 234 Ca -0.12 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 3hjq s THR 234 Cb -0.16 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3hjq s THR 234 CO 0.07 0.42 0.47 0.28 -0.69 0.00 0.00 174.62 175.16 3hjq s THR 235 N 0.97 0.00 0.03 -0.82 -1.32 -0.02 -1.48 115.64 113.00 3hjq s THR 235 Ca 0.02 -1.62 -0.02 0.00 -1.21 0.00 0.00 61.69 58.86 3hjq s THR 235 Cb -0.14 -2.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 3hjq s THR 235 CO 0.02 0.00 0.02 -1.10 -2.21 0.00 0.00 174.62 171.35 3hjq s GLN 236 N -3.05 0.49 0.03 7.08 -0.21 -1.26 -1.31 119.66 121.42 3hjq s GLN 236 Ca 0.31 -0.80 0.06 0.00 0.02 0.00 0.00 55.36 54.95 3hjq s GLN 236 Cb -0.00 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 3hjq s GLN 236 CO 0.21 -0.10 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.59 3hjq s LEU 237 N -2.05 2.13 0.00 2.90 1.43 -0.24 -4.85 118.68 118.00 3hjq s LEU 237 Ca -0.06 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3hjq s LEU 237 Cb -0.02 -0.83 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 3hjq s LEU 237 CO -0.04 0.13 0.04 -1.22 0.23 0.00 0.00 176.35 175.49 3hjq n TYR 238 N 2.10 0.77 -4.57 0.29 4.01 0.23 -1.04 117.16 118.95 3hjq n TYR 238 Ca -0.17 -2.22 -0.27 0.00 -0.16 0.00 0.00 57.90 55.08 3hjq n TYR 238 Cb 0.54 -0.21 -0.17 0.00 -0.31 0.00 0.00 39.34 39.19 3hjq n TYR 238 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hjq s PHE 239 N -2.68 1.84 0.26 -0.72 0.40 -1.26 -0.53 117.98 115.29 3hjq s PHE 239 Ca 0.05 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.28 3hjq s PHE 239 Cb 0.00 -1.33 -0.14 0.00 0.51 0.00 0.00 43.02 42.07 3hjq s PHE 239 CO 0.04 -0.40 1.20 1.17 0.70 0.00 0.00 175.22 177.92 3hjq n LYS 240 N 4.01 1.61 -0.62 0.44 4.81 0.22 -1.07 118.16 127.56 3hjq n LYS 240 Ca -0.20 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3hjq n LYS 240 Cb 0.52 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.48 3hjq n LYS 240 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hjq n GLY 241 N 1.60 0.77 3.75 3.14 0.00 -1.26 -4.97 105.19 108.22 3hjq n GLY 241 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3hjq n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hjq s GLY 242 N -2.00 2.83 0.53 -0.02 0.00 -0.23 -4.98 107.32 103.45 3hjq s GLY 242 Ca 0.00 1.18 -0.20 0.00 0.00 0.00 0.00 44.72 45.70 3hjq s GLY 242 CO 0.00 1.63 1.11 1.85 0.00 0.00 0.00 173.10 177.69 3hjq s GLU 243 N -3.15 3.46 -0.41 2.90 2.56 -1.26 -3.23 118.70 119.57 3hjq s GLU 243 Ca 0.76 1.55 0.00 0.00 0.00 0.00 0.00 54.97 57.28 3hjq s GLU 243 Cb -0.36 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 33.75 3hjq s GLU 243 CO 0.40 -0.75 0.00 0.91 -0.56 0.00 0.00 175.26 175.26 3hjq n TRP 244 N -1.23 0.00 0.25 5.30 7.02 -1.26 -4.20 117.44 123.33 3hjq n TRP 244 Ca 0.11 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.73 3hjq n TRP 244 Cb 0.51 -1.92 0.60 0.00 -2.42 0.00 0.00 31.31 28.08 3hjq n TRP 244 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 3hjq h ILE 245 N 0.00 0.29 -0.37 -0.99 6.09 -1.94 -2.15 117.51 118.43 3hjq h ILE 245 Ca -0.08 -0.76 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 3hjq h ILE 245 Cb 0.88 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.76 3hjq h ILE 245 CO 0.12 0.10 0.00 0.47 -3.07 0.00 0.00 178.15 175.77 3hjq n ASP 246 N -3.27 2.98 -2.70 2.19 8.00 -1.26 -4.55 116.55 117.94 3hjq n ASP 246 Ca 0.00 -1.98 -0.06 0.00 0.71 0.00 0.00 54.79 53.45 3hjq n ASP 246 Cb 0.35 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.28 3hjq n ASP 246 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hjq n SER 247 N 0.61 0.06 -4.69 -2.24 3.41 -0.86 -5.10 113.62 104.81 3hjq n SER 247 Ca 0.12 -2.49 -0.42 0.00 -0.26 0.00 0.00 58.87 55.83 3hjq n SER 247 Cb 0.44 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3hjq n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hjq s ASP 248 N -2.38 6.52 0.53 4.04 2.15 -0.91 -4.89 116.67 121.73 3hjq s ASP 248 Ca 0.24 2.62 0.22 0.00 0.43 0.00 0.00 52.55 56.06 3hjq s ASP 248 Cb 0.42 -2.56 1.38 0.00 -0.30 0.00 0.00 42.92 41.85 3hjq s ASP 248 CO -0.03 -0.94 2.06 1.62 -0.17 0.00 0.00 175.17 177.70 3hjq h VAL 249 N 4.75 0.80 -0.01 1.11 3.04 -1.68 -1.39 116.25 122.88 3hjq h VAL 249 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3hjq h VAL 249 Cb 1.21 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 3hjq h VAL 249 CO 0.94 0.00 -0.07 0.00 -1.01 0.00 0.00 177.57 177.43 3hjq n ALA 250 N -2.58 2.72 -3.84 3.17 0.00 -1.26 -4.74 120.51 113.98 3hjq n ALA 250 Ca 0.05 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 3hjq n ALA 250 Cb 0.40 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hjq n ALA 250 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hjq n SER 251 N -0.56 -4.16 -0.25 0.00 7.64 -0.53 -4.70 113.62 111.07 3hjq n SER 251 Ca 0.18 -0.73 0.05 0.00 1.01 0.00 0.00 58.87 59.37 3hjq n SER 251 Cb 0.28 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 60.11 3hjq n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hjq n ALA 252 N -4.26 2.77 -2.22 -0.43 0.00 -1.26 -4.90 120.51 110.21 3hjq n ALA 252 Ca 0.04 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 3hjq n ALA 252 Cb 0.52 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 3hjq n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hjq s THR 253 N -1.27 4.21 0.10 0.00 -4.23 -1.26 -4.74 115.64 108.45 3hjq s THR 253 Ca 0.09 1.82 0.09 0.00 -1.18 0.00 0.00 61.69 62.51 3hjq s THR 253 Cb 0.08 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 3hjq s THR 253 CO 0.23 0.27 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.81 3hjq s LYS 254 N -0.00 1.25 0.27 3.99 1.02 -1.26 -5.05 119.74 119.96 3hjq s LYS 254 Ca 0.49 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 3hjq s LYS 254 Cb -0.26 -1.57 0.40 0.00 -0.52 0.00 0.00 37.83 35.88 3hjq s LYS 254 CO 0.32 0.37 1.92 -1.35 -0.92 0.00 0.00 175.35 175.68 3hjq h PRO 255 N 4.11 1.16 -0.00 -1.68 0.11 -1.98 -2.29 132.00 131.42 3hjq h PRO 255 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3hjq h PRO 255 Cb 1.17 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3hjq h PRO 255 CO 0.40 0.77 0.04 0.93 -0.21 0.00 0.00 178.00 179.93 3hjq h GLU 256 N 1.19 0.00 -0.45 1.05 3.07 -2.01 -2.49 114.58 114.94 3hjq h GLU 256 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3hjq h GLU 256 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3hjq h GLU 256 CO -0.12 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.77 3hjq n LEU 257 N -3.09 4.00 -4.52 1.33 4.77 -0.86 -4.90 117.00 113.73 3hjq n LEU 257 Ca -0.03 -2.49 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 3hjq n LEU 257 Cb 0.11 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 3hjq n LEU 257 CO 0.20 0.75 0.10 -0.63 -1.33 0.00 0.00 177.39 176.47 3hjq s ILE 258 N -1.90 5.11 0.47 -0.08 1.01 -0.94 -0.60 121.20 124.27 3hjq s ILE 258 Ca 0.40 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 3hjq s ILE 258 Cb 0.27 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3hjq s ILE 258 CO 0.17 -0.26 0.81 -0.76 0.00 0.00 0.00 174.94 174.90 3hjq s LEU 259 N 2.13 3.67 -0.50 2.97 1.43 0.31 -4.77 118.68 123.92 3hjq s LEU 259 Ca 0.13 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 3hjq s LEU 259 Cb -0.17 -4.00 0.17 0.00 0.03 0.00 0.00 46.19 42.23 3hjq s LEU 259 CO 0.13 -0.54 0.40 -0.67 0.23 0.00 0.00 176.35 175.90 3hjq n ASP 260 N -1.93 0.67 -4.77 2.29 2.03 -1.26 0.70 116.55 114.27 3hjq n ASP 260 Ca 0.02 -2.65 -0.35 0.00 0.52 0.00 0.00 54.79 52.32 3hjq n ASP 260 Cb 0.55 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 3hjq n ASP 260 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hjq s PRO 261 N -0.48 3.42 -0.09 -0.67 0.04 -1.26 -4.93 135.00 131.02 3hjq s PRO 261 Ca 0.31 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 3hjq s PRO 261 Cb 0.02 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3hjq s PRO 261 CO -0.19 -0.81 -0.04 0.15 0.04 0.00 0.00 177.00 176.16 3hjq s LYS 262 N -3.19 2.97 -0.06 4.56 -0.14 0.27 -4.82 119.74 119.33 3hjq s LYS 262 Ca 0.71 -0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 54.70 3hjq s LYS 262 Cb -0.25 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.13 3hjq s LYS 262 CO 0.28 0.62 0.35 -0.08 -0.76 0.00 0.00 175.35 175.77 3hjq s THR 263 N -0.68 5.18 0.53 2.17 -1.32 -1.26 -0.02 115.64 120.23 3hjq s THR 263 Ca 0.11 0.70 0.03 0.00 -1.21 0.00 0.00 61.69 61.31 3hjq s THR 263 Cb -0.12 -3.66 0.04 0.00 -1.51 0.00 0.00 72.50 67.25 3hjq s THR 263 CO 0.02 0.52 0.74 -0.83 -2.21 0.00 0.00 174.62 172.86 3hjq s GLY 264 N -0.56 1.85 0.57 6.08 0.00 -0.56 -4.93 107.32 109.77 3hjq s GLY 264 Ca 0.21 -1.48 0.30 0.00 0.00 0.00 0.00 44.72 43.75 3hjq s GLY 264 CO 0.10 -1.19 2.20 -0.55 0.00 0.00 0.00 173.10 173.66 3hjq h ASP 265 N 0.16 0.00 0.02 1.64 3.32 -1.98 0.67 116.42 120.26 3hjq h ASP 265 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3hjq h ASP 265 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hjq h ASP 265 CO 0.49 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 3hjq n ASP 266 N -3.73 0.00 -0.18 6.45 3.85 -1.26 -4.90 116.55 116.78 3hjq n ASP 266 Ca -0.03 -0.65 -0.02 0.00 -0.71 0.00 0.00 54.79 53.38 3hjq n ASP 266 Cb 0.13 -0.02 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 3hjq n ASP 266 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hjq n GLY 267 N 0.39 0.49 3.84 6.12 0.00 0.23 -5.03 105.19 111.23 3hjq n GLY 267 Ca 0.16 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hjq n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjq s LYS 268 N -1.35 4.01 -0.02 1.61 1.02 -1.26 -4.66 119.74 119.09 3hjq s LYS 268 Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 55.97 56.21 3hjq s LYS 268 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3hjq s LYS 268 CO 0.00 0.56 0.93 -0.80 -0.92 0.00 0.00 175.35 175.13 3hjq s ASN 269 N -1.45 7.29 -0.05 2.83 0.02 -0.37 -1.50 114.94 121.71 3hjq s ASN 269 Ca 0.33 1.56 0.06 0.00 -1.02 0.00 0.00 52.86 53.78 3hjq s ASN 269 Cb -0.16 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.55 3hjq s ASN 269 CO 0.18 -0.26 -0.22 -0.31 0.02 0.00 0.00 177.10 176.51 3hjq s TYR 270 N 1.09 2.49 -0.10 2.20 1.51 0.96 0.52 117.35 126.03 3hjq s TYR 270 Ca 0.49 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 3hjq s TYR 270 Cb -0.20 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 3hjq s TYR 270 CO 0.25 -0.09 0.35 0.54 -1.11 0.00 0.00 175.55 175.49 3hjq s VAL 271 N -0.34 0.02 -0.13 0.71 0.11 -0.27 -0.56 120.40 119.93 3hjq s VAL 271 Ca 0.02 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 3hjq s VAL 271 Cb -0.12 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3hjq s VAL 271 CO 0.02 -0.08 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.64 3hjq s THR 272 N -0.28 2.45 -0.02 5.04 2.01 -1.26 -0.85 115.64 122.73 3hjq s THR 272 Ca -0.04 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3hjq s THR 272 Cb -0.03 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.51 3hjq s THR 272 CO 0.02 0.54 0.03 -0.47 -0.69 0.00 0.00 174.62 174.04 3hjq s TYR 273 N 0.56 0.05 0.13 4.92 6.14 0.26 -4.96 117.35 124.46 3hjq s TYR 273 Ca -0.11 0.12 0.04 0.00 0.64 0.00 0.00 57.07 57.76 3hjq s TYR 273 Cb -0.16 -0.26 -0.04 0.00 0.42 0.00 0.00 41.96 41.92 3hjq s TYR 273 CO 0.04 -0.10 0.13 -0.80 0.64 0.00 0.00 175.55 175.46 3hjq s ASN 274 N 1.10 5.61 -0.10 4.32 -0.87 -1.26 -4.03 114.94 119.72 3hjq s ASN 274 Ca -0.09 -0.06 -0.01 0.00 -1.57 0.00 0.00 52.86 51.14 3hjq s ASN 274 Cb -0.13 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.25 39.56 3hjq s ASN 274 CO -0.03 0.10 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.18 3hjq s PHE 275 N -1.63 2.96 -0.21 2.20 0.40 -0.47 -4.93 117.98 116.30 3hjq s PHE 275 Ca 0.31 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 3hjq s PHE 275 Cb -0.11 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.65 3hjq s PHE 275 CO 0.23 0.19 -0.15 0.08 0.70 0.00 0.00 175.22 176.28 3hjq s VAL 276 N -0.39 2.36 -0.12 -0.44 1.01 -1.26 -0.26 120.40 121.30 3hjq s VAL 276 Ca 0.06 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 3hjq s VAL 276 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3hjq s VAL 276 CO 0.02 0.39 0.14 -0.76 0.00 0.00 0.00 175.10 174.89 3hjq s LEU 277 N 1.29 4.39 0.55 3.92 1.43 -0.57 -0.87 118.68 128.82 3hjq s LEU 277 Ca 0.02 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 3hjq s LEU 277 Cb -0.15 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 3hjq s LEU 277 CO -0.09 0.40 1.01 -1.81 0.23 0.00 0.00 176.35 176.09 3hjq s ASP 278 N -1.07 6.32 0.29 2.29 1.01 -1.26 -3.43 116.67 120.81 3hjq s ASP 278 Ca 0.16 1.64 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 3hjq s ASP 278 Cb -0.12 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 3hjq s ASP 278 CO 0.05 -0.80 1.59 -2.16 0.21 0.00 0.00 175.17 174.06 3hjq s PRO 279 N -4.13 4.13 0.00 8.23 0.04 -1.26 -1.37 135.00 140.64 3hjq s PRO 279 Ca 0.60 2.56 0.17 0.00 0.04 0.00 0.00 61.00 64.37 3hjq s PRO 279 Cb -0.12 -3.03 1.00 0.00 0.04 0.00 0.00 34.50 32.39 3hjq s PRO 279 CO 0.34 -0.63 1.40 0.00 0.04 0.00 0.00 177.00 178.16