#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulj h ARG 12 N 0.00 0.00 -5.79 -1.08 2.43 -2.07 -3.44 114.38 104.43 1ulj h ARG 12 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 1ulj h ARG 12 Cb 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.41 1ulj h ARG 12 CO 0.00 0.00 -0.73 0.95 -1.51 0.00 0.00 179.97 178.68 1ulj s THR 13 N -3.24 2.00 0.19 0.20 -4.23 -1.26 -5.11 115.64 104.20 1ulj s THR 13 Ca 0.07 -2.27 -0.33 0.00 -1.18 0.00 0.00 61.69 57.98 1ulj s THR 13 Cb 0.05 -2.21 -0.14 0.00 1.34 0.00 0.00 72.50 71.54 1ulj s THR 13 CO 0.66 -0.47 1.48 1.17 -0.54 0.00 0.00 174.62 176.92 1ulj n LYS 14 N -0.51 2.04 -1.65 3.99 4.81 -1.26 -4.88 118.16 120.70 1ulj n LYS 14 Ca -0.06 0.73 -0.41 0.00 -0.87 0.00 0.00 58.31 57.69 1ulj n LYS 14 Cb 0.61 -2.44 0.01 0.00 0.02 0.00 0.00 35.03 33.22 1ulj n LYS 14 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ulj n PRO 15 N 2.71 1.60 -2.20 1.64 -0.02 -1.26 -4.96 135.00 132.51 1ulj n PRO 15 Ca 0.14 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 1ulj n PRO 15 Cb 0.30 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1ulj n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ulj s ALA 16 N -1.22 3.04 0.63 3.55 0.00 -1.26 -4.96 121.76 121.53 1ulj s ALA 16 Ca 0.62 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 1ulj s ALA 16 Cb -0.55 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1ulj s ALA 16 CO 0.58 -0.70 0.88 -2.30 0.00 0.00 0.00 175.76 174.21 1ulj n PRO 17 N -0.32 0.74 -4.31 0.00 -0.02 -1.26 -4.95 135.00 124.89 1ulj n PRO 17 Ca 0.06 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1ulj n PRO 17 Cb 0.47 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1ulj n PRO 17 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ulj s VAL 18 N -1.61 1.56 0.18 -1.45 -7.23 -1.26 -5.11 120.40 105.48 1ulj s VAL 18 Ca 0.75 -2.08 -0.32 0.00 -1.81 0.00 0.00 61.98 58.52 1ulj s VAL 18 Cb -0.40 -1.91 -0.11 0.00 0.56 0.00 0.00 36.38 34.52 1ulj s VAL 18 CO 0.48 -0.58 1.65 -0.62 -0.31 0.00 0.00 175.10 175.72 1ulj s ASP 19 N -3.10 6.49 0.57 4.85 -1.08 -1.26 -4.87 116.67 118.27 1ulj s ASP 19 Ca 0.19 2.73 0.27 0.00 -0.52 0.00 0.00 52.55 55.22 1ulj s ASP 19 Cb -0.01 -2.59 1.57 0.00 -1.46 0.00 0.00 42.92 40.42 1ulj s ASP 19 CO 0.05 -0.90 2.07 1.55 0.52 0.00 0.00 175.17 178.46 1ulj h PRO 20 N 6.93 0.00 -0.44 4.34 0.13 -1.99 0.19 132.00 141.16 1ulj h PRO 20 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1ulj h PRO 20 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ulj h PRO 20 CO 0.94 0.00 0.22 1.03 -0.23 0.00 0.00 178.00 179.95 1ulj h SER 21 N 0.00 0.54 -0.12 1.44 0.87 -1.99 0.09 113.55 114.37 1ulj h SER 21 Ca 0.12 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1ulj h SER 21 Cb 0.60 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1ulj h SER 21 CO -0.00 0.46 -0.13 0.25 -0.53 0.00 0.00 176.83 176.87 1ulj h LEU 22 N 0.61 0.33 -0.50 2.23 5.85 -1.00 -2.81 115.31 120.01 1ulj h LEU 22 Ca 0.15 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.48 1ulj h LEU 22 Cb 0.06 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 1ulj h LEU 22 CO -0.02 0.75 0.00 1.56 -0.34 0.00 0.00 178.44 180.40 1ulj h GLN 23 N -0.09 0.12 -0.53 1.25 1.08 -1.11 -2.26 115.11 113.57 1ulj h GLN 23 Ca 0.02 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1ulj h GLN 23 Cb 0.67 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1ulj h GLN 23 CO 0.03 0.08 -0.01 1.25 -0.95 0.00 0.00 178.83 179.23 1ulj h HIS 24 N 0.12 1.02 -0.26 2.96 2.76 -1.06 -1.47 115.15 119.22 1ulj h HIS 24 Ca 0.25 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1ulj h HIS 24 Cb 0.38 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1ulj h HIS 24 CO -0.31 0.94 0.16 1.49 -1.30 0.00 0.00 177.93 178.91 1ulj h GLU 25 N 0.81 0.35 -0.01 5.26 4.81 -1.19 0.60 114.58 125.20 1ulj h GLU 25 Ca 0.15 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 1ulj h GLU 25 Cb 0.54 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1ulj h GLU 25 CO 0.03 0.26 -0.82 0.82 -0.73 0.00 0.00 179.01 178.56 1ulj h ILE 26 N 0.33 1.48 0.12 2.32 2.04 -1.37 -1.95 117.51 120.48 1ulj h ILE 26 Ca 0.09 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.45 1ulj h ILE 26 Cb -0.01 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1ulj h ILE 26 CO -0.02 0.73 -0.06 -0.33 0.00 0.00 0.00 178.15 178.47 1ulj h GLU 27 N 0.12 -0.16 -0.81 2.37 5.08 -1.08 -1.77 114.58 118.33 1ulj h GLU 27 Ca -0.04 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1ulj h GLU 27 Cb 1.42 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.65 1ulj h GLU 27 CO 0.12 -0.03 0.54 1.96 -1.00 0.00 0.00 179.01 180.61 1ulj h GLN 28 N -0.26 0.45 -0.40 2.33 1.08 -0.82 0.11 115.11 117.59 1ulj h GLN 28 Ca -0.02 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1ulj h GLN 28 Cb 0.21 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1ulj h GLN 28 CO 0.03 0.30 0.03 0.35 -0.95 0.00 0.00 178.83 178.59 1ulj h PHE 29 N 0.46 0.74 -0.34 2.96 3.04 -0.79 -1.58 116.94 121.44 1ulj h PHE 29 Ca 0.41 -0.12 -0.17 0.00 3.98 0.00 0.00 57.97 62.08 1ulj h PHE 29 Cb 0.90 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1ulj h PHE 29 CO -0.00 0.75 -0.44 1.88 -2.02 0.00 0.00 178.31 178.48 1ulj h TYR 30 N 0.53 1.06 -0.76 0.41 0.99 -0.37 -0.41 116.97 118.42 1ulj h TYR 30 Ca 0.12 -0.34 -0.04 0.00 2.00 0.00 0.00 58.73 60.47 1ulj h TYR 30 Cb 0.43 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 37.91 1ulj h TYR 30 CO 0.03 1.15 0.31 1.88 -0.00 0.00 0.00 178.16 181.54 1ulj h TYR 31 N 0.70 1.14 -0.44 4.88 0.05 -0.80 0.10 116.97 122.61 1ulj h TYR 31 Ca 0.04 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 1ulj h TYR 31 Cb 1.03 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1ulj h TYR 31 CO 0.06 0.87 -0.08 2.35 -1.05 0.00 0.00 178.16 180.31 1ulj h TRP 32 N 1.09 0.93 -0.63 4.88 2.91 -1.23 -2.14 115.95 121.76 1ulj h TRP 32 Ca 0.25 -0.19 0.09 0.00 1.13 0.00 0.00 58.89 60.18 1ulj h TRP 32 Cb 0.20 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 28.55 1ulj h TRP 32 CO 0.02 0.92 0.25 1.49 -1.03 0.00 0.00 178.44 180.09 1ulj h GLU 33 N 0.66 0.43 -0.79 2.65 4.81 -0.59 -1.68 114.58 120.07 1ulj h GLU 33 Ca 0.11 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1ulj h GLU 33 Cb 0.61 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1ulj h GLU 33 CO 0.04 0.29 0.31 0.00 -0.73 0.00 0.00 179.01 178.91 1ulj h ALA 34 N 1.42 1.05 -0.59 2.92 0.00 -0.80 -2.10 119.26 121.15 1ulj h ALA 34 Ca 0.32 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1ulj h ALA 34 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ulj h ALA 34 CO -0.30 0.67 0.03 -0.22 0.00 0.00 0.00 179.25 179.43 1ulj h LYS 35 N 1.15 1.02 0.29 0.00 3.64 -0.82 -0.41 116.57 121.44 1ulj h LYS 35 Ca 0.26 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1ulj h LYS 35 Cb 0.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ulj h LYS 35 CO -0.02 0.99 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.94 1ulj h LEU 36 N 0.92 -0.36 0.12 5.20 3.38 -0.90 0.62 115.31 124.29 1ulj h LEU 36 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ulj h LEU 36 Cb 0.51 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ulj h LEU 36 CO 0.02 -0.25 -0.19 -0.07 0.09 0.00 0.00 178.44 178.05 1ulj h LEU 37 N -0.40 -0.52 -1.68 1.67 3.38 -1.34 -0.65 115.31 115.76 1ulj h LEU 37 Ca -0.04 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ulj h LEU 37 Cb 0.32 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ulj h LEU 37 CO 0.05 -0.27 -0.09 0.78 0.09 0.00 0.00 178.44 179.00 1ulj h ASN 38 N -0.37 0.08 -0.71 -0.43 2.35 -0.98 -2.45 115.58 113.07 1ulj h ASN 38 Ca 0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ulj h ASN 38 Cb 0.38 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1ulj h ASN 38 CO -0.09 0.19 0.00 0.47 -1.65 0.00 0.00 177.43 176.34 1ulj n ASP 39 N -4.38 3.92 -1.03 5.81 9.92 0.20 -4.57 116.55 126.43 1ulj n ASP 39 Ca -0.02 -2.04 -0.12 0.00 -0.53 0.00 0.00 54.79 52.08 1ulj n ASP 39 Cb 0.20 -0.49 -0.04 0.00 -0.64 0.00 0.00 41.12 40.15 1ulj n ASP 39 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ulj n ARG 40 N 1.55 -0.86 -1.97 -1.24 1.74 -0.71 -4.92 116.66 110.25 1ulj n ARG 40 Ca 0.24 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.74 1ulj n ARG 40 Cb 0.63 -4.88 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 1ulj n ARG 40 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ulj n ARG 41 N -2.53 3.18 0.08 5.56 1.74 -0.33 -4.74 116.66 119.62 1ulj n ARG 41 Ca -0.13 -2.97 -0.11 0.00 -0.77 0.00 0.00 57.85 53.88 1ulj n ARG 41 Cb 0.45 -3.14 -0.07 0.00 -1.02 0.00 0.00 32.46 28.68 1ulj n ARG 41 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1ulj h PHE 42 N 5.88 0.31 0.13 -1.55 0.04 -1.91 -2.43 116.94 117.40 1ulj h PHE 42 Ca 0.50 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1ulj h PHE 42 Cb 0.63 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1ulj h PHE 42 CO 1.38 1.07 -0.12 0.37 -0.60 0.00 0.00 178.31 180.41 1ulj h GLN 43 N 0.08 -0.27 -0.56 1.51 5.75 -1.96 -1.24 115.11 118.43 1ulj h GLN 43 Ca -0.06 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1ulj h GLN 43 Cb 1.69 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 30.27 1ulj h GLN 43 CO 0.15 -0.18 0.37 0.93 -2.65 0.00 0.00 178.83 177.46 1ulj h GLU 44 N -0.28 0.64 -0.30 1.69 5.08 -1.95 -2.08 114.58 117.39 1ulj h GLU 44 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1ulj h GLU 44 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ulj h GLU 44 CO -0.03 0.43 -0.02 2.35 -1.00 0.00 0.00 179.01 180.74 1ulj h TRP 45 N 0.66 0.60 0.00 4.33 7.01 -0.94 -2.80 115.95 124.81 1ulj h TRP 45 Ca 0.22 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1ulj h TRP 45 Cb 0.07 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1ulj h TRP 45 CO -0.00 0.69 -0.11 0.74 -2.79 0.00 0.00 178.44 176.98 1ulj h PHE 46 N 0.33 0.00 0.00 2.65 -1.00 -0.81 -1.72 116.94 116.39 1ulj h PHE 46 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1ulj h PHE 46 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1ulj h PHE 46 CO 0.04 0.11 -0.24 -0.44 -1.61 0.00 0.00 178.31 176.16 1ulj h ASP 47 N 0.00 0.00 0.40 2.17 3.32 -1.12 -2.20 116.42 119.00 1ulj h ASP 47 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ulj h ASP 47 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ulj h ASP 47 CO 0.01 0.24 0.00 -0.07 -1.72 0.00 0.00 179.24 177.70 1ulj h LEU 48 N 0.00 0.00 -9.76 1.55 3.38 -1.20 -3.45 115.31 105.83 1ulj h LEU 48 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1ulj h LEU 48 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1ulj h LEU 48 CO 0.03 0.00 0.17 -0.76 0.09 0.00 0.00 178.44 177.97 1ulj s LEU 49 N -4.96 4.53 0.71 1.67 1.43 -0.83 -0.44 118.68 120.79 1ulj s LEU 49 Ca 0.00 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1ulj s LEU 49 Cb 0.09 -3.38 0.02 0.00 0.03 0.00 0.00 46.19 42.95 1ulj s LEU 49 CO 0.34 0.16 1.08 0.00 0.23 0.00 0.00 176.35 178.17 1ulj s ALA 50 N -1.25 2.78 0.43 4.21 0.00 -0.52 -4.82 121.76 122.58 1ulj s ALA 50 Ca 0.38 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.20 1ulj s ALA 50 Cb -0.21 -3.06 0.95 0.00 0.00 0.00 0.00 23.12 20.80 1ulj s ALA 50 CO 0.25 -1.19 2.04 0.93 0.00 0.00 0.00 175.76 177.79 1ulj h GLU 51 N -0.69 0.44 -0.60 0.00 5.08 -1.97 -2.72 114.58 114.12 1ulj h GLU 51 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ulj h GLU 51 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ulj h GLU 51 CO 0.62 0.29 0.00 -0.40 -1.00 0.00 0.00 179.01 178.52 1ulj n ASP 52 N -4.48 5.38 -4.62 1.42 3.85 -1.26 -4.31 116.55 112.52 1ulj n ASP 52 Ca 0.05 -2.75 -0.51 0.00 -0.71 0.00 0.00 54.79 50.86 1ulj n ASP 52 Cb 0.16 -0.65 -0.06 0.00 -1.35 0.00 0.00 41.12 39.22 1ulj n ASP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ulj n ILE 53 N 0.81 0.04 -3.93 2.12 0.13 -1.03 -4.82 119.36 112.68 1ulj n ILE 53 Ca 0.27 -0.01 -0.34 0.00 -1.10 0.00 0.00 62.75 61.57 1ulj n ILE 53 Cb 1.09 -1.06 -0.14 0.00 -0.84 0.00 0.00 39.64 38.69 1ulj n ILE 53 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 1ulj s HIS 54 N 0.93 3.39 -0.43 9.51 5.65 -1.04 -3.67 115.29 129.63 1ulj s HIS 54 Ca 0.84 -2.21 -0.16 0.00 0.25 0.00 0.00 55.06 53.78 1ulj s HIS 54 Cb -0.89 -2.39 0.04 0.00 -1.18 0.00 0.00 32.58 28.16 1ulj s HIS 54 CO 0.46 -0.87 0.36 -0.47 -0.65 0.00 0.00 174.74 173.57 1ulj s TYR 55 N 1.16 3.23 -0.07 3.88 5.04 -0.22 -1.23 117.35 129.13 1ulj s TYR 55 Ca -0.01 -0.65 0.03 0.00 -2.44 0.00 0.00 57.07 53.99 1ulj s TYR 55 Cb -0.20 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.29 1ulj s TYR 55 CO -0.03 -0.68 -0.14 0.12 -1.34 0.00 0.00 175.55 173.48 1ulj s PHE 56 N 1.76 1.62 -0.33 4.97 5.99 0.36 -0.65 117.98 131.71 1ulj s PHE 56 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 56.93 56.37 1ulj s PHE 56 Cb -0.20 -1.16 0.13 0.00 0.00 0.00 0.00 43.02 41.78 1ulj s PHE 56 CO 0.10 -0.30 0.22 1.41 -0.00 0.00 0.00 175.22 176.65 1ulj s MET 57 N 0.61 0.44 0.60 10.12 1.75 0.29 -0.60 119.30 132.51 1ulj s MET 57 Ca -0.15 -0.93 -0.15 0.00 -1.25 0.00 0.00 55.69 53.21 1ulj s MET 57 Cb -0.16 -1.12 -0.03 0.00 2.84 0.00 0.00 34.83 36.36 1ulj s MET 57 CO 0.05 -1.14 1.05 -1.25 -0.65 0.00 0.00 175.02 173.07 1ulj s PRO 58 N 1.52 3.34 0.09 4.11 0.04 -1.26 -1.06 135.00 141.78 1ulj s PRO 58 Ca 0.15 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1ulj s PRO 58 Cb -0.19 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1ulj s PRO 58 CO -0.13 -0.79 1.09 0.42 0.04 0.00 0.00 177.00 177.63 1ulj s ILE 59 N -2.59 4.23 -0.04 0.56 1.01 -1.26 -4.70 121.20 118.41 1ulj s ILE 59 Ca 0.62 1.71 -0.01 0.00 0.00 0.00 0.00 60.65 62.97 1ulj s ILE 59 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1ulj s ILE 59 CO 0.40 0.19 0.06 -0.60 0.00 0.00 0.00 174.94 174.99 1ulj s ARG 60 N 0.52 3.05 0.16 2.79 3.52 -1.26 -1.47 118.95 126.26 1ulj s ARG 60 Ca 0.53 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1ulj s ARG 60 Cb -0.27 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1ulj s ARG 60 CO 0.31 0.67 -0.11 0.95 -0.81 0.00 0.00 175.30 176.31 1ulj s THR 61 N -1.08 1.30 -0.16 4.11 -4.23 0.08 -4.49 115.64 111.17 1ulj s THR 61 Ca 0.19 -2.10 -0.18 0.00 -1.18 0.00 0.00 61.69 58.43 1ulj s THR 61 Cb -0.12 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1ulj s THR 61 CO 0.09 -0.71 0.47 -0.89 -0.54 0.00 0.00 174.62 173.04 1ulj s THR 62 N -3.24 5.17 0.02 3.99 2.01 -1.26 -4.76 115.64 117.57 1ulj s THR 62 Ca 0.18 0.89 0.02 0.00 0.31 0.00 0.00 61.69 63.09 1ulj s THR 62 Cb 0.02 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1ulj s THR 62 CO 0.02 0.27 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.03 1ulj s ARG 63 N 1.04 0.45 0.55 4.92 1.81 -1.26 -5.08 118.95 121.38 1ulj s ARG 63 Ca 0.24 -0.53 -0.21 0.00 -1.72 0.00 0.00 55.73 53.51 1ulj s ARG 63 Cb -0.15 -0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.02 1ulj s ARG 63 CO 0.09 0.06 1.31 0.96 -0.68 0.00 0.00 175.30 177.04 1ulj s ILE 64 N -0.92 2.29 0.27 1.52 -4.36 -1.26 -4.80 121.20 113.94 1ulj s ILE 64 Ca -0.06 0.21 -0.06 0.00 -0.26 0.00 0.00 60.65 60.48 1ulj s ILE 64 Cb -0.07 -3.10 0.43 0.00 1.25 0.00 0.00 42.46 40.97 1ulj s ILE 64 CO 0.00 -0.01 1.50 0.80 0.24 0.00 0.00 174.94 177.47 1ulj n MET 65 N -1.08 -0.08 0.00 0.37 0.00 -1.26 -0.56 117.12 114.50 1ulj n MET 65 Ca 0.11 1.48 0.04 0.00 -0.00 0.00 0.00 57.70 59.33 1ulj n MET 65 Cb 0.46 -2.24 0.25 0.00 0.00 0.00 0.00 33.22 31.69 1ulj n MET 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1ulj n ARG 66 N -5.54 0.40 -0.48 2.12 0.63 -1.26 -2.73 116.66 109.80 1ulj n ARG 66 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1ulj n ARG 66 Cb 0.53 -1.33 0.01 0.00 0.45 0.00 0.00 32.46 32.12 1ulj n ARG 66 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ulj n GLU 67 N -0.83 0.05 0.00 -0.14 1.02 0.27 -4.87 120.64 116.15 1ulj n GLU 67 Ca 0.06 -1.05 0.09 0.00 -0.02 0.00 0.00 57.16 56.24 1ulj n GLU 67 Cb 0.03 -0.54 0.47 0.00 -0.02 0.00 0.00 31.44 31.38 1ulj n GLU 67 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ulj n THR 68 N -0.05 0.39 -0.08 2.62 -2.24 -1.11 -2.34 114.28 111.46 1ulj n THR 68 Ca 0.01 0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1ulj n THR 68 Cb 0.69 -0.80 0.25 0.00 -2.10 0.00 0.00 70.33 68.37 1ulj n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ulj h ALA 69 N 2.90 1.32 -0.32 6.98 0.00 -1.89 -2.56 119.26 125.69 1ulj h ALA 69 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ulj h ALA 69 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ulj h ALA 69 CO 0.00 0.48 0.00 1.04 0.00 0.00 0.00 179.25 180.77 1ulj n GLN 70 N -4.30 2.91 -0.12 0.00 6.02 -0.99 -4.48 117.38 116.43 1ulj n GLN 70 Ca 0.03 -1.63 -0.02 0.00 -0.01 0.00 0.00 57.00 55.37 1ulj n GLN 70 Cb 0.21 -1.83 0.21 0.00 1.02 0.00 0.00 30.24 29.85 1ulj n GLN 70 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ulj h GLU 71 N 2.13 0.80 -6.32 -1.09 4.81 -1.61 -3.43 114.58 109.87 1ulj h GLU 71 Ca 0.00 -0.15 -0.66 0.00 -0.13 0.00 0.00 59.36 58.42 1ulj h GLU 71 Cb 1.18 -0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.29 1ulj h GLU 71 CO 0.23 0.71 -0.68 0.71 -0.73 0.00 0.00 179.01 179.24 1ulj s TYR 72 N -5.24 2.94 0.27 0.92 1.51 -1.26 -0.74 117.35 115.74 1ulj s TYR 72 Ca -0.10 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.64 1ulj s TYR 72 Cb 0.16 -1.57 -0.10 0.00 -0.11 0.00 0.00 41.96 40.34 1ulj s TYR 72 CO 0.79 0.43 1.32 -1.54 -1.11 0.00 0.00 175.55 175.45 1ulj s SER 73 N -1.85 6.82 0.01 2.29 1.04 -0.54 -4.99 113.70 116.48 1ulj s SER 73 Ca 0.21 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.20 1ulj s SER 73 Cb -0.11 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1ulj s SER 73 CO 0.13 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1ulj n GLY 74 N 1.65 1.08 0.17 7.32 0.00 -1.26 -4.74 105.19 109.41 1ulj n GLY 74 Ca 0.03 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1ulj n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulj h ALA 75 N -1.26 0.39 -1.01 4.61 0.00 -1.98 -3.02 119.26 116.98 1ulj h ALA 75 Ca 0.00 -0.23 -0.71 0.00 0.00 0.00 0.00 54.91 53.98 1ulj h ALA 75 Cb 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 17.39 1ulj h ALA 75 CO 0.00 0.13 0.79 0.54 0.00 0.00 0.00 179.25 180.71 1ulj n ARG 76 N -4.58 2.80 -4.18 0.00 1.74 -1.26 -4.96 116.66 106.23 1ulj n ARG 76 Ca -0.03 -3.50 -0.11 0.00 -0.77 0.00 0.00 57.85 53.45 1ulj n ARG 76 Cb 0.25 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 29.31 1ulj n ARG 76 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ulj s GLU 77 N -3.91 0.90 0.78 5.56 2.02 -1.14 -5.15 118.70 117.76 1ulj s GLU 77 Ca 0.58 -1.39 -0.14 0.00 0.02 0.00 0.00 54.97 54.03 1ulj s GLU 77 Cb 0.47 -0.08 0.07 0.00 0.10 0.00 0.00 34.13 34.68 1ulj s GLU 77 CO -0.19 -0.11 1.21 -0.47 0.02 0.00 0.00 175.26 175.72 1ulj s TYR 78 N -3.75 1.90 0.19 1.61 5.04 -1.26 -4.85 117.35 116.23 1ulj s TYR 78 Ca 0.17 1.64 -0.23 0.00 -2.44 0.00 0.00 57.07 56.21 1ulj s TYR 78 Cb 0.06 -3.48 0.06 0.00 0.35 0.00 0.00 41.96 38.95 1ulj s TYR 78 CO -0.02 -2.76 0.64 0.00 -1.34 0.00 0.00 175.55 172.07 1ulj s ALA 79 N -2.08 -1.51 0.11 3.97 0.00 -1.26 -4.33 121.76 116.66 1ulj s ALA 79 Ca 0.74 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 1ulj s ALA 79 Cb -0.29 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.63 1ulj s ALA 79 CO 0.49 -0.84 1.44 0.45 0.00 0.00 0.00 175.76 177.29 1ulj h HIS 80 N 2.00 0.94 -3.89 0.00 3.86 -1.37 -3.45 115.15 113.23 1ulj h HIS 80 Ca -0.30 -0.28 -0.20 0.00 -1.16 0.00 0.00 60.37 58.43 1ulj h HIS 80 Cb 1.29 -0.20 -0.24 0.00 1.06 0.00 0.00 27.41 29.33 1ulj h HIS 80 CO 0.28 1.06 -0.71 -0.06 0.86 0.00 0.00 177.93 179.36 1ulj s PHE 81 N -4.36 0.20 -0.43 2.45 0.40 -1.06 -4.95 117.98 110.22 1ulj s PHE 81 Ca -0.12 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 1ulj s PHE 81 Cb 0.09 -0.14 0.28 0.00 0.51 0.00 0.00 43.02 43.76 1ulj s PHE 81 CO 0.85 -0.12 1.07 -3.47 0.70 0.00 0.00 175.22 174.25 1ulj n ASP 82 N 2.12 -2.28 -4.67 1.36 4.64 -1.12 -0.54 116.55 116.06 1ulj n ASP 82 Ca -0.20 -2.97 -0.29 0.00 -1.38 0.00 0.00 54.79 49.95 1ulj n ASP 82 Cb 0.57 1.58 -0.08 0.00 -1.04 0.00 0.00 41.12 42.15 1ulj n ASP 82 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1ulj s ASP 83 N -1.16 4.88 0.55 1.67 -0.00 0.18 -4.91 116.67 117.88 1ulj s ASP 83 Ca 0.27 -0.27 0.06 0.00 -0.00 0.00 0.00 52.55 52.60 1ulj s ASP 83 Cb 0.25 -1.10 0.04 0.00 -0.00 0.00 0.00 42.92 42.11 1ulj s ASP 83 CO -0.16 0.14 0.42 0.54 -0.00 0.00 0.00 175.17 176.11 1ulj s ASN 84 N -2.54 4.65 0.27 0.27 2.20 -1.26 -1.06 114.94 117.47 1ulj s ASN 84 Ca 0.26 -1.24 -0.00 0.00 -0.94 0.00 0.00 52.86 50.94 1ulj s ASN 84 Cb -0.11 0.43 0.53 0.00 -2.00 0.00 0.00 41.25 40.10 1ulj s ASN 84 CO 0.18 -1.13 1.81 0.00 -2.94 0.00 0.00 177.10 175.02 1ulj h ALA 85 N 0.72 1.39 -0.29 3.54 0.00 -1.75 -0.96 119.26 121.90 1ulj h ALA 85 Ca -0.36 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ulj h ALA 85 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ulj h ALA 85 CO 0.56 0.10 0.12 0.37 0.00 0.00 0.00 179.25 180.40 1ulj h GLN 86 N 0.84 0.43 -0.59 0.00 4.15 -1.94 -0.87 115.11 117.12 1ulj h GLN 86 Ca 0.47 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.72 1ulj h GLN 86 Cb 0.53 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ulj h GLN 86 CO -0.29 0.44 -0.03 0.52 -1.93 0.00 0.00 178.83 177.55 1ulj h MET 87 N 0.33 1.06 -0.26 1.69 2.86 -1.79 -2.47 114.93 116.35 1ulj h MET 87 Ca 0.10 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1ulj h MET 87 Cb 0.17 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1ulj h MET 87 CO -0.01 1.05 -0.03 0.52 1.06 0.00 0.00 176.91 179.50 1ulj h MET 88 N 0.96 0.39 0.00 1.72 2.86 -1.12 -2.54 114.93 117.21 1ulj h MET 88 Ca 0.17 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1ulj h MET 88 Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ulj h MET 88 CO 0.04 0.44 -0.37 0.00 1.06 0.00 0.00 176.91 178.08 1ulj h ARG 89 N 0.38 0.00 -0.31 1.72 3.08 -0.72 -2.34 114.38 116.19 1ulj h ARG 89 Ca 0.08 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 1ulj h ARG 89 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ulj h ARG 89 CO 0.01 0.37 -0.48 0.78 -1.07 0.00 0.00 179.97 179.57 1ulj h GLY 90 N 1.21 0.93 2.00 0.04 0.00 -1.06 -2.73 103.07 103.45 1ulj h GLY 90 Ca -0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.26 1ulj h GLY 90 CO 0.05 0.92 -0.19 3.21 0.00 0.00 0.00 176.54 180.53 1ulj h ARG 91 N 0.67 0.00 0.04 4.80 3.08 -1.15 -1.89 114.38 119.92 1ulj h ARG 91 Ca 0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.80 1ulj h ARG 91 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.15 1ulj h ARG 91 CO 0.11 0.19 -1.11 1.25 -1.07 0.00 0.00 179.97 179.34 1ulj h LEU 92 N 0.00 0.91 -0.27 3.04 5.85 -1.34 -1.38 115.31 122.12 1ulj h LEU 92 Ca -0.00 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.01 1ulj h LEU 92 Cb 0.33 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1ulj h LEU 92 CO 0.02 1.56 -0.07 -0.09 -0.34 0.00 0.00 178.44 179.52 1ulj h ARG 93 N 0.36 -0.01 0.37 1.25 9.65 -1.23 -2.80 114.38 121.98 1ulj h ARG 93 Ca -0.15 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 1ulj h ARG 93 Cb 1.76 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 1ulj h ARG 93 CO 0.22 -0.00 -0.18 -0.22 2.80 0.00 0.00 179.97 182.58 1ulj h LYS 94 N -0.01 -0.48 0.00 0.20 3.64 -1.29 -3.07 116.57 115.56 1ulj h LYS 94 Ca 0.13 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1ulj h LYS 94 Cb 0.20 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1ulj h LYS 94 CO -0.28 -0.29 0.00 1.51 -2.27 0.00 0.00 179.45 178.12 1ulj n ILE 95 N -5.29 0.90 -1.29 2.00 3.06 -0.53 -1.70 119.36 116.51 1ulj n ILE 95 Ca -0.11 0.22 -0.11 0.00 -2.50 0.00 0.00 62.75 60.25 1ulj n ILE 95 Cb 0.23 -1.00 0.21 0.00 0.54 0.00 0.00 39.64 39.62 1ulj n ILE 95 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1ulj n THR 96 N -1.66 2.84 -4.31 9.51 -2.24 -1.06 -4.99 114.28 112.37 1ulj n THR 96 Ca 0.03 -2.25 -0.35 0.00 -2.27 0.00 0.00 64.05 59.21 1ulj n THR 96 Cb 0.20 -0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.96 1ulj n THR 96 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ulj s SER 97 N -1.86 5.39 0.00 3.42 0.15 -0.69 -4.98 113.70 115.13 1ulj s SER 97 Ca 0.50 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.50 1ulj s SER 97 Cb 0.44 -1.55 0.68 0.00 -1.71 0.00 0.00 66.02 63.88 1ulj s SER 97 CO 0.06 0.38 1.50 -0.90 1.20 0.00 0.00 173.24 175.49 1ulj n ASP 98 N 2.12 0.00 -0.35 5.45 5.75 -1.26 -2.76 116.55 125.50 1ulj n ASP 98 Ca -0.19 0.47 0.09 0.00 -0.01 0.00 0.00 54.79 55.15 1ulj n ASP 98 Cb 0.54 -0.48 0.18 0.00 -1.03 0.00 0.00 41.12 40.32 1ulj n ASP 98 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1ulj n VAL 99 N -1.48 2.04 -3.15 2.12 0.24 -1.26 -4.91 118.33 111.92 1ulj n VAL 99 Ca 0.04 -2.31 -0.45 0.00 -2.04 0.00 0.00 64.34 59.58 1ulj n VAL 99 Cb 0.18 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.27 1ulj n VAL 99 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ulj s SER 100 N -2.70 6.41 0.16 -1.34 0.15 -1.11 -4.95 113.70 110.31 1ulj s SER 100 Ca 0.35 -1.90 -0.07 0.00 0.70 0.00 0.00 55.95 55.03 1ulj s SER 100 Cb 0.31 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.34 1ulj s SER 100 CO 0.03 -0.94 1.43 -0.50 1.20 0.00 0.00 173.24 174.46 1ulj h TRP 101 N 8.73 0.84 -0.91 3.44 -0.00 -1.90 -0.22 115.95 125.93 1ulj h TRP 101 Ca -0.11 -0.32 0.20 0.00 -0.00 0.00 0.00 58.89 58.66 1ulj h TRP 101 Cb 1.07 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.16 30.01 1ulj h TRP 101 CO 0.94 1.10 0.60 0.66 -0.00 0.00 0.00 178.44 181.74 1ulj h SER 102 N 0.49 0.44 0.00 -3.49 4.64 -1.92 -2.92 113.55 110.79 1ulj h SER 102 Ca -0.01 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1ulj h SER 102 Cb 1.20 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 1ulj h SER 102 CO 0.12 0.18 -0.55 -0.62 -0.87 0.00 0.00 176.83 175.08 1ulj n GLU 103 N -4.53 1.23 -3.32 4.77 -0.58 -1.01 -4.60 120.64 112.61 1ulj n GLU 103 Ca 0.20 -2.95 -0.11 0.00 -0.42 0.00 0.00 57.16 53.88 1ulj n GLU 103 Cb 0.68 -1.28 -0.06 0.00 -0.57 0.00 0.00 31.44 30.21 1ulj n GLU 103 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ulj s ASN 104 N -2.93 0.49 0.79 1.62 2.47 -0.13 -3.27 114.94 113.99 1ulj s ASN 104 Ca 0.36 -0.78 -0.12 0.00 0.42 0.00 0.00 52.86 52.74 1ulj s ASN 104 Cb 0.36 1.00 0.07 0.00 -1.45 0.00 0.00 41.25 41.23 1ulj s ASN 104 CO -0.08 -0.31 1.13 -2.16 -3.72 0.00 0.00 177.10 171.96 1ulj s PRO 105 N 2.16 1.94 0.24 0.43 0.04 -1.26 -4.51 135.00 134.04 1ulj s PRO 105 Ca 0.12 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1ulj s PRO 105 Cb -0.12 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1ulj s PRO 105 CO -0.21 -1.92 0.75 0.00 0.04 0.00 0.00 177.00 175.66 1ulj s ALA 106 N -2.55 3.38 0.73 8.56 0.00 -1.20 -4.86 121.76 125.82 1ulj s ALA 106 Ca 0.66 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1ulj s ALA 106 Cb -0.22 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1ulj s ALA 106 CO 0.52 0.31 1.10 -1.12 0.00 0.00 0.00 175.76 176.57 1ulj s SER 107 N -1.70 4.70 -0.25 0.00 0.01 -1.26 -4.82 113.70 110.38 1ulj s SER 107 Ca 0.45 1.91 -0.05 0.00 1.31 0.00 0.00 55.95 59.56 1ulj s SER 107 Cb -0.16 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1ulj s SER 107 CO 0.21 -1.90 0.01 -0.13 0.41 0.00 0.00 173.24 171.84 1ulj s ARG 108 N -4.57 3.25 0.12 12.44 0.52 0.39 -5.00 118.95 126.10 1ulj s ARG 108 Ca 0.64 -0.73 0.11 0.00 -0.52 0.00 0.00 55.73 55.23 1ulj s ARG 108 Cb -0.19 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1ulj s ARG 108 CO 0.50 -0.31 -0.27 0.95 0.02 0.00 0.00 175.30 176.20 1ulj s THR 109 N 1.49 2.28 -0.07 0.02 -4.23 -1.26 -0.84 115.64 113.02 1ulj s THR 109 Ca 0.04 -1.72 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1ulj s THR 109 Cb -0.16 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1ulj s THR 109 CO -0.00 0.11 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.55 1ulj s ARG 110 N -2.01 0.93 -0.59 3.99 6.06 -0.41 -4.61 118.95 122.31 1ulj s ARG 110 Ca 0.14 -0.06 -0.10 0.00 -2.50 0.00 0.00 55.73 53.21 1ulj s ARG 110 Cb -0.10 -1.09 0.15 0.00 0.06 0.00 0.00 34.95 33.98 1ulj s ARG 110 CO 0.06 -0.21 0.49 -1.01 -2.50 0.00 0.00 175.30 172.12 1ulj s HIS 111 N 1.54 3.48 -0.47 5.12 3.76 -1.26 -1.76 115.29 125.70 1ulj s HIS 111 Ca -0.01 -1.97 -0.25 0.00 -0.15 0.00 0.00 55.06 52.68 1ulj s HIS 111 Cb -0.13 -3.57 0.03 0.00 1.11 0.00 0.00 32.58 30.02 1ulj s HIS 111 CO -0.04 -0.97 0.91 0.08 -0.85 0.00 0.00 174.74 173.87 1ulj s VAL 112 N 0.85 4.49 -0.20 -0.90 1.01 -0.32 -4.87 120.40 120.45 1ulj s VAL 112 Ca 0.10 0.67 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 1ulj s VAL 112 Cb -0.22 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1ulj s VAL 112 CO -0.03 -0.84 0.06 -0.63 0.00 0.00 0.00 175.10 173.66 1ulj s ILE 113 N 3.72 4.54 0.16 2.22 -1.09 -1.26 -1.79 121.20 127.70 1ulj s ILE 113 Ca 0.36 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.69 1ulj s ILE 113 Cb -0.10 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1ulj s ILE 113 CO 0.25 0.42 0.15 -0.24 -1.23 0.00 0.00 174.94 174.29 1ulj n SER 114 N 4.01 -0.38 -2.98 3.58 2.88 -0.99 -4.98 113.62 114.76 1ulj n SER 114 Ca -0.16 -2.03 -0.22 0.00 -1.33 0.00 0.00 58.87 55.12 1ulj n SER 114 Cb 0.52 0.86 0.03 0.00 -0.75 0.00 0.00 64.21 64.87 1ulj n SER 114 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ulj n ASN 115 N -2.31 -6.02 -4.66 -3.46 4.13 -1.26 -1.51 115.26 100.17 1ulj n ASN 115 Ca 0.03 -0.27 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 1ulj n ASN 115 Cb 0.29 -4.88 -0.03 0.00 -1.54 0.00 0.00 39.78 33.62 1ulj n ASN 115 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ulj s VAL 116 N -3.16 3.74 -0.10 2.41 1.01 -1.26 -4.33 120.40 118.71 1ulj s VAL 116 Ca 0.28 0.90 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1ulj s VAL 116 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1ulj s VAL 116 CO 0.35 -0.08 -0.17 -0.04 0.00 0.00 0.00 175.10 175.16 1ulj s MET 117 N 3.85 2.33 -0.03 2.72 -1.94 -0.39 -5.01 119.30 120.83 1ulj s MET 117 Ca 0.69 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 54.12 1ulj s MET 117 Cb -0.31 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.61 1ulj s MET 117 CO 0.26 0.01 -0.23 0.42 -0.01 0.00 0.00 175.02 175.47 1ulj s ILE 118 N 0.77 2.33 -0.02 2.53 1.01 -1.26 -1.75 121.20 124.82 1ulj s ILE 118 Ca -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1ulj s ILE 118 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1ulj s ILE 118 CO 0.02 0.58 -0.05 -0.69 0.00 0.00 0.00 174.94 174.80 1ulj s VAL 119 N -0.61 0.47 0.61 2.92 1.01 -0.53 -4.70 120.40 119.57 1ulj s VAL 119 Ca 0.09 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1ulj s VAL 119 Cb -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1ulj s VAL 119 CO -0.00 0.16 1.22 0.47 0.00 0.00 0.00 175.10 176.94 1ulj n ASP 120 N 3.27 1.86 -3.81 3.32 10.43 -1.26 -0.91 116.55 129.44 1ulj n ASP 120 Ca -0.17 0.86 -0.23 0.00 2.57 0.00 0.00 54.79 57.83 1ulj n ASP 120 Cb 0.56 -1.51 0.15 0.00 1.84 0.00 0.00 41.12 42.15 1ulj n ASP 120 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ulj n GLY 121 N 0.99 -0.65 0.08 0.44 0.00 -0.55 -4.54 105.19 100.96 1ulj n GLY 121 Ca 0.14 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 1ulj n GLY 121 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ulj h GLU 122 N 0.00 0.07 -6.94 1.61 3.07 -1.95 -3.44 114.58 107.00 1ulj h GLU 122 Ca -0.33 -0.08 -0.46 0.00 -0.50 0.00 0.00 59.36 57.99 1ulj h GLU 122 Cb 1.01 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1ulj h GLU 122 CO 0.27 0.86 0.26 0.21 -1.40 0.00 0.00 179.01 179.22 1ulj s LYS 123 N -3.00 4.16 0.52 2.33 2.20 -1.26 -5.07 119.74 119.61 1ulj s LYS 123 Ca -0.17 0.97 -0.17 0.00 -0.36 0.00 0.00 55.97 56.24 1ulj s LYS 123 Cb -0.00 -2.28 -0.07 0.00 -1.51 0.00 0.00 37.83 33.97 1ulj s LYS 123 CO 0.71 0.04 1.00 -1.25 -0.36 0.00 0.00 175.35 175.49 1ulj s PRO 124 N -3.09 3.85 0.00 4.03 0.04 -1.26 -3.23 135.00 135.33 1ulj s PRO 124 Ca 0.59 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ulj s PRO 124 Cb -0.10 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ulj s PRO 124 CO 0.15 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1ulj n GLY 125 N -1.32 1.25 3.72 0.56 0.00 -1.26 -4.93 105.19 103.20 1ulj n GLY 125 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ulj n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ulj s GLU 126 N -0.09 2.65 -0.08 1.61 2.02 -1.20 0.52 118.70 124.13 1ulj s GLU 126 Ca 0.00 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 1ulj s GLU 126 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.70 1ulj s GLU 126 CO 0.00 0.52 0.19 0.71 0.02 0.00 0.00 175.26 176.70 1ulj s TYR 127 N -1.47 -0.22 -0.19 1.61 1.51 0.68 -1.48 117.35 117.79 1ulj s TYR 127 Ca 0.28 0.57 -0.21 0.00 -1.01 0.00 0.00 57.07 56.70 1ulj s TYR 127 Cb -0.11 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.73 1ulj s TYR 127 CO 0.20 -0.16 0.62 -1.01 -1.11 0.00 0.00 175.55 174.09 1ulj s HIS 128 N 0.77 3.39 -0.04 2.71 3.76 -0.09 -0.94 115.29 124.85 1ulj s HIS 128 Ca -0.06 0.93 0.05 0.00 -0.15 0.00 0.00 55.06 55.83 1ulj s HIS 128 Cb -0.07 -2.78 -0.01 0.00 1.11 0.00 0.00 32.58 30.83 1ulj s HIS 128 CO -0.04 -0.14 -0.20 0.08 -0.85 0.00 0.00 174.74 173.58 1ulj s VAL 129 N 1.78 1.67 -0.13 -0.90 1.01 -0.72 -1.45 120.40 121.65 1ulj s VAL 129 Ca 0.29 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ulj s VAL 129 Cb -0.16 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1ulj s VAL 129 CO 0.11 0.47 -0.16 -0.55 0.00 0.00 0.00 175.10 174.97 1ulj s SER 130 N -0.13 3.67 0.20 3.32 0.15 -0.72 0.26 113.70 120.45 1ulj s SER 130 Ca -0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1ulj s SER 130 Cb -0.11 -1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 1ulj s SER 130 CO 0.02 0.13 0.07 -0.94 1.20 0.00 0.00 173.24 173.72 1ulj s SER 131 N 0.54 0.81 0.37 5.45 1.04 -0.83 -1.26 113.70 119.82 1ulj s SER 131 Ca -0.10 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.11 1ulj s SER 131 Cb -0.16 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1ulj s SER 131 CO 0.04 -0.71 0.10 0.68 0.98 0.00 0.00 173.24 174.32 1ulj s VAL 132 N -3.87 2.50 0.05 5.02 -7.23 -0.57 -1.34 120.40 114.96 1ulj s VAL 132 Ca 0.32 -1.83 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 1ulj s VAL 132 Cb 0.07 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 34.11 1ulj s VAL 132 CO 0.08 -0.10 0.30 0.72 -0.31 0.00 0.00 175.10 175.79 1ulj s PHE 133 N -2.56 -0.09 -0.18 2.82 -0.71 -0.88 -2.34 117.98 114.04 1ulj s PHE 133 Ca 0.38 -0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1ulj s PHE 133 Cb 0.02 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1ulj s PHE 133 CO 0.21 -0.51 -0.14 0.42 -1.34 0.00 0.00 175.22 173.86 1ulj s ILE 134 N -2.63 2.66 -0.22 -4.49 -1.09 -0.74 -3.02 121.20 111.67 1ulj s ILE 134 Ca -0.04 -0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1ulj s ILE 134 Cb -0.01 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 1ulj s ILE 134 CO -0.04 0.50 0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 1ulj s VAL 135 N 1.14 4.44 -0.29 2.92 1.01 -0.57 -1.18 120.40 127.87 1ulj s VAL 135 Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1ulj s VAL 135 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1ulj s VAL 135 CO -0.05 0.38 0.02 -0.47 0.00 0.00 0.00 175.10 174.98 1ulj s TYR 136 N 1.18 3.19 -0.24 5.22 6.14 -0.72 -0.20 117.35 131.92 1ulj s TYR 136 Ca 0.04 -1.54 -0.03 0.00 0.64 0.00 0.00 57.07 56.18 1ulj s TYR 136 Cb -0.14 -2.15 0.01 0.00 0.42 0.00 0.00 41.96 40.10 1ulj s TYR 136 CO 0.03 -0.73 -0.04 0.50 0.64 0.00 0.00 175.55 175.95 1ulj s ARG 137 N 1.34 3.02 -0.09 4.97 3.00 -0.23 -1.29 118.95 129.67 1ulj s ARG 137 Ca -0.02 -0.86 0.03 0.00 -1.00 0.00 0.00 55.73 53.87 1ulj s ARG 137 Cb -0.18 -3.02 -0.01 0.00 0.00 0.00 0.00 34.95 31.73 1ulj s ARG 137 CO -0.01 -0.34 -0.17 1.21 0.00 0.00 0.00 175.30 175.99 1ulj s ASN 138 N 1.39 3.70 0.19 -2.12 3.84 -0.02 -1.07 114.94 120.84 1ulj s ASN 138 Ca 0.02 -0.36 -0.11 0.00 0.21 0.00 0.00 52.86 52.62 1ulj s ASN 138 Cb -0.16 -1.24 -0.00 0.00 -0.55 0.00 0.00 41.25 39.29 1ulj s ASN 138 CO -0.04 0.22 0.36 0.00 -2.79 0.00 0.00 177.10 174.86 1ulj s ARG 139 N -0.02 1.28 4.71 0.43 1.70 -0.88 -0.46 118.95 125.71 1ulj s ARG 139 Ca -0.05 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1ulj s ARG 139 Cb -0.14 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1ulj s ARG 139 CO 0.04 -0.50 0.00 1.28 -1.08 0.00 0.00 175.30 175.05 1ulj n LEU 140 N -0.27 0.00 -0.06 -1.89 4.77 -1.26 -2.24 117.00 116.05 1ulj n LEU 140 Ca -0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 1ulj n LEU 140 Cb 0.63 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 1ulj n LEU 140 CO 0.23 0.00 0.43 -0.33 -1.33 0.00 0.00 177.39 176.39 1ulj h GLU 141 N 0.00 0.01 0.00 3.23 5.08 -2.03 -3.44 114.58 117.42 1ulj h GLU 141 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ulj h GLU 141 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ulj h GLU 141 CO 0.00 0.92 0.00 0.54 -1.00 0.00 0.00 179.01 179.47 1ulj n ARG 142 N -4.64 0.00 -1.94 2.33 1.74 -1.20 -5.09 116.66 107.87 1ulj n ARG 142 Ca -0.10 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1ulj n ARG 142 Cb 0.45 -0.40 -0.03 0.00 -1.02 0.00 0.00 32.46 31.46 1ulj n ARG 142 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1ulj s GLN 143 N 0.00 4.21 -0.18 5.56 0.74 -0.95 -4.93 119.66 124.12 1ulj s GLN 143 Ca 0.00 2.35 -0.05 0.00 0.05 0.00 0.00 55.36 57.71 1ulj s GLN 143 Cb 0.00 -3.26 0.06 0.00 1.10 0.00 0.00 33.01 30.92 1ulj s GLN 143 CO 0.00 -0.63 0.09 -1.17 -0.55 0.00 0.00 175.29 173.03 1ulj s LEU 144 N 1.48 0.45 -0.23 3.68 2.96 -1.26 -2.08 118.68 123.68 1ulj s LEU 144 Ca 0.71 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1ulj s LEU 144 Cb -0.43 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 45.98 1ulj s LEU 144 CO 0.31 -0.35 -0.04 -1.81 -1.32 0.00 0.00 176.35 173.15 1ulj s ASP 145 N 2.11 4.37 -0.24 3.68 1.01 -0.23 -5.01 116.67 122.34 1ulj s ASP 145 Ca 0.02 -0.52 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 1ulj s ASP 145 Cb -0.16 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.05 1ulj s ASP 145 CO -0.11 -0.06 -0.04 -0.63 0.21 0.00 0.00 175.17 174.55 1ulj s ILE 146 N 1.45 3.18 0.27 0.77 1.01 -1.26 -1.06 121.20 125.55 1ulj s ILE 146 Ca 0.04 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1ulj s ILE 146 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1ulj s ILE 146 CO -0.03 0.28 0.11 -0.36 0.00 0.00 0.00 174.94 174.94 1ulj s PHE 147 N 1.41 2.90 0.12 3.97 0.40 0.73 -4.99 117.98 122.52 1ulj s PHE 147 Ca 0.03 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 1ulj s PHE 147 Cb -0.16 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1ulj s PHE 147 CO -0.03 0.54 0.37 0.00 0.70 0.00 0.00 175.22 176.80 1ulj s ALA 148 N -2.24 -0.82 0.00 5.36 0.00 -1.26 -1.52 121.76 121.28 1ulj s ALA 148 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1ulj s ALA 148 Cb -0.07 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1ulj s ALA 148 CO 0.23 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1ulj n GLY 149 N -0.20 -1.02 3.24 0.00 0.00 -1.17 -1.24 105.19 104.80 1ulj n GLY 149 Ca -0.16 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1ulj n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ulj s GLU 150 N -1.08 2.08 -0.32 1.61 2.12 -0.40 -2.07 118.70 120.64 1ulj s GLU 150 Ca 0.00 -0.81 -0.07 0.00 0.36 0.00 0.00 54.97 54.45 1ulj s GLU 150 Cb 0.00 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.54 1ulj s GLU 150 CO 0.00 0.41 0.09 1.03 -0.54 0.00 0.00 175.26 176.25 1ulj s ARG 151 N -0.30 2.88 -0.48 4.30 0.52 -0.45 -0.36 118.95 125.06 1ulj s ARG 151 Ca 0.02 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.03 1ulj s ARG 151 Cb -0.11 -3.42 0.04 0.00 0.52 0.00 0.00 34.95 31.98 1ulj s ARG 151 CO 0.01 -0.55 0.66 0.15 0.02 0.00 0.00 175.30 175.60 1ulj s LYS 152 N 1.46 3.20 0.35 3.54 1.02 -0.53 -1.96 119.74 126.83 1ulj s LYS 152 Ca 0.01 -0.62 0.07 0.00 0.02 0.00 0.00 55.97 55.46 1ulj s LYS 152 Cb -0.18 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.07 1ulj s LYS 152 CO 0.03 -1.16 0.33 -0.51 -0.92 0.00 0.00 175.35 173.11 1ulj s ASP 153 N 2.42 5.32 -0.22 2.83 1.01 0.14 -1.60 116.67 126.57 1ulj s ASP 153 Ca 0.20 -0.51 -0.00 0.00 0.71 0.00 0.00 52.55 52.95 1ulj s ASP 153 Cb -0.16 -0.92 0.06 0.00 1.01 0.00 0.00 42.92 42.91 1ulj s ASP 153 CO 0.15 -0.42 -0.03 -0.63 0.21 0.00 0.00 175.17 174.45 1ulj s ILE 154 N -2.32 1.27 0.03 0.77 1.01 -0.26 -1.76 121.20 119.93 1ulj s ILE 154 Ca 0.43 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 1ulj s ILE 154 Cb -0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1ulj s ILE 154 CO 0.27 -0.12 0.32 -0.76 0.00 0.00 0.00 174.94 174.66 1ulj s LEU 155 N 1.52 4.37 -0.03 2.97 1.43 -0.11 -1.35 118.68 127.47 1ulj s LEU 155 Ca -0.04 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1ulj s LEU 155 Cb -0.18 -2.74 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 1ulj s LEU 155 CO -0.07 0.24 -0.15 -0.60 0.23 0.00 0.00 176.35 176.01 1ulj s ARG 156 N -1.70 1.49 0.55 1.70 3.52 -0.70 -0.23 118.95 123.58 1ulj s ARG 156 Ca 0.28 -0.52 -0.18 0.00 -0.13 0.00 0.00 55.73 55.19 1ulj s ARG 156 Cb -0.14 -1.33 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 1ulj s ARG 156 CO 0.16 0.22 1.07 0.50 -0.81 0.00 0.00 175.30 176.44 1ulj s ARG 157 N 0.02 3.44 0.14 5.12 6.06 0.18 -0.87 118.95 133.05 1ulj s ARG 157 Ca -0.02 1.34 -0.19 0.00 -2.50 0.00 0.00 55.73 54.36 1ulj s ARG 157 Cb -0.10 -2.04 0.05 0.00 0.06 0.00 0.00 34.95 32.92 1ulj s ARG 157 CO 0.01 -0.73 0.49 0.99 -2.50 0.00 0.00 175.30 173.56 1ulj s THR 158 N -2.16 0.04 -0.56 4.11 2.01 -0.82 -4.81 115.64 113.44 1ulj s THR 158 Ca 0.67 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1ulj s THR 158 Cb -0.18 -1.09 0.33 0.00 0.01 0.00 0.00 72.50 71.57 1ulj s THR 158 CO 0.30 -0.18 1.11 0.61 -0.69 0.00 0.00 174.62 175.77 1ulj n GLY 159 N -0.28 2.35 4.01 4.40 0.00 -1.26 -4.52 105.19 109.88 1ulj n GLY 159 Ca -0.16 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 1ulj n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ulj s SER 160 N -0.24 4.89 0.17 1.61 1.04 -1.26 -4.97 113.70 114.93 1ulj s SER 160 Ca 0.23 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 55.98 1ulj s SER 160 Cb 0.18 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.35 1ulj s SER 160 CO 0.06 -1.46 1.74 -0.33 0.98 0.00 0.00 173.24 174.23 1ulj h GLU 161 N -0.05 0.81 -0.32 4.02 5.08 -1.97 -2.62 114.58 119.53 1ulj h GLU 161 Ca -0.34 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1ulj h GLU 161 Cb 1.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1ulj h GLU 161 CO 0.42 0.67 0.22 0.00 -1.00 0.00 0.00 179.01 179.31 1ulj h ALA 162 N 1.09 1.89 0.00 3.43 0.00 -1.95 -3.46 119.26 120.26 1ulj h ALA 162 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ulj h ALA 162 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ulj h ALA 162 CO -0.02 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ulj n GLY 163 N -1.51 2.97 3.30 0.00 0.00 -0.99 -4.88 105.19 104.08 1ulj n GLY 163 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1ulj n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ulj s PHE 164 N -1.69 1.48 0.10 1.61 0.40 -1.26 -1.95 117.98 116.67 1ulj s PHE 164 Ca 0.00 -1.15 0.06 0.00 -0.60 0.00 0.00 56.93 55.24 1ulj s PHE 164 Cb 0.00 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 1ulj s PHE 164 CO 0.00 -0.31 -0.15 -1.83 0.70 0.00 0.00 175.22 173.62 1ulj s GLU 165 N -4.01 0.98 -0.28 0.44 -1.05 -0.05 -4.85 118.70 109.88 1ulj s GLU 165 Ca 0.35 -1.13 -0.21 0.00 -0.15 0.00 0.00 54.97 53.83 1ulj s GLU 165 Cb 0.07 -0.98 -0.01 0.00 -0.44 0.00 0.00 34.13 32.77 1ulj s GLU 165 CO 0.12 0.21 0.68 -1.17 0.95 0.00 0.00 175.26 176.04 1ulj s LEU 166 N -2.10 4.09 -0.15 1.83 2.96 0.41 -1.72 118.68 124.00 1ulj s LEU 166 Ca 0.05 0.65 0.16 0.00 -0.22 0.00 0.00 54.13 54.77 1ulj s LEU 166 Cb -0.08 -2.91 -0.24 0.00 0.50 0.00 0.00 46.19 43.46 1ulj s LEU 166 CO 0.03 -0.46 0.25 0.00 -1.32 0.00 0.00 176.35 174.85 1ulj n ALA 167 N 5.87 1.51 -3.48 5.97 0.00 -0.46 -1.45 120.51 128.48 1ulj n ALA 167 Ca 0.01 -1.16 -0.12 0.00 0.00 0.00 0.00 53.44 52.16 1ulj n ALA 167 Cb 0.49 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 1ulj n ALA 167 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ulj s LYS 168 N -2.53 0.54 -0.02 0.00 2.20 -1.16 -2.50 119.74 116.27 1ulj s LYS 168 Ca -0.08 0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1ulj s LYS 168 Cb 0.07 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1ulj s LYS 168 CO 0.83 -0.10 0.03 0.50 -0.36 0.00 0.00 175.35 176.25 1ulj s ARG 169 N 0.64 -0.03 -0.25 4.03 3.52 -0.36 -1.10 118.95 125.40 1ulj s ARG 169 Ca -0.03 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1ulj s ARG 169 Cb -0.05 -0.27 0.05 0.00 -1.56 0.00 0.00 34.95 33.12 1ulj s ARG 169 CO -0.04 -0.18 -0.11 0.99 -0.81 0.00 0.00 175.30 175.15 1ulj s THR 170 N 1.13 2.35 -0.40 4.11 2.01 -0.63 -0.49 115.64 123.72 1ulj s THR 170 Ca -0.08 -1.38 -0.20 0.00 0.31 0.00 0.00 61.69 60.34 1ulj s THR 170 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.12 1ulj s THR 170 CO -0.03 0.11 0.60 -0.63 -0.69 0.00 0.00 174.62 173.98 1ulj s ILE 171 N 1.19 4.90 -0.46 1.82 1.09 0.23 -1.45 121.20 128.52 1ulj s ILE 171 Ca -0.04 0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.54 1ulj s ILE 171 Cb -0.18 -4.11 0.03 0.00 -1.06 0.00 0.00 42.46 37.14 1ulj s ILE 171 CO -0.06 -0.43 0.73 -0.76 -0.10 0.00 0.00 174.94 174.33 1ulj s LEU 172 N 2.65 4.40 -0.02 2.97 1.43 0.52 -4.02 118.68 126.60 1ulj s LEU 172 Ca 0.21 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1ulj s LEU 172 Cb -0.15 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1ulj s LEU 172 CO 0.16 -0.90 0.37 -0.51 0.23 0.00 0.00 176.35 175.71 1ulj s ILE 173 N 3.12 5.10 -1.15 -0.59 1.10 -1.26 -1.28 121.20 126.25 1ulj s ILE 173 Ca 0.26 0.75 -0.06 0.00 -0.51 0.00 0.00 60.65 61.09 1ulj s ILE 173 Cb -0.14 -3.67 0.02 0.00 0.15 0.00 0.00 42.46 38.82 1ulj s ILE 173 CO 0.20 0.57 2.71 0.47 -2.11 0.00 0.00 174.94 176.78 1ulj n ASP 174 N 1.93 7.75 -3.73 4.50 8.00 -0.38 -4.84 116.55 129.79 1ulj n ASP 174 Ca -0.15 -2.94 -0.14 0.00 0.71 0.00 0.00 54.79 52.27 1ulj n ASP 174 Cb 0.53 -1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1ulj n ASP 174 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ulj s GLN 175 N -0.18 0.70 0.00 -1.24 -0.21 -1.26 -4.85 119.66 112.63 1ulj s GLN 175 Ca 0.60 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.89 1ulj s GLN 175 Cb 0.23 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.55 1ulj s GLN 175 CO -0.10 -0.19 0.00 -1.13 -2.12 0.00 0.00 175.29 171.75 1ulj n SER 176 N 1.32 0.00 -4.71 5.90 3.41 -1.26 -4.47 113.62 113.81 1ulj n SER 176 Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1ulj n SER 176 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1ulj n SER 176 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ulj s THR 177 N 0.00 2.88 0.02 6.66 2.01 -1.26 -4.64 115.64 121.30 1ulj s THR 177 Ca 0.00 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1ulj s THR 177 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1ulj s THR 177 CO 0.00 0.03 1.45 -0.63 -0.69 0.00 0.00 174.62 174.78 1ulj s ILE 178 N 1.48 3.57 -1.21 1.82 -1.09 -1.26 -4.92 121.20 119.59 1ulj s ILE 178 Ca 0.70 0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 60.05 1ulj s ILE 178 Cb -0.41 -3.62 0.20 0.00 -1.58 0.00 0.00 42.46 37.04 1ulj s ILE 178 CO 0.31 -0.00 2.16 0.18 -1.23 0.00 0.00 174.94 176.36 1ulj n LEU 179 N 5.38 7.76 -3.61 2.97 4.77 -1.26 -4.84 117.00 128.18 1ulj n LEU 179 Ca 0.14 -5.07 -0.11 0.00 -0.03 0.00 0.00 56.01 50.93 1ulj n LEU 179 Cb 0.43 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 1ulj n LEU 179 CO 0.59 2.04 0.68 -0.55 -1.33 0.00 0.00 177.39 178.82 1ulj s SER 180 N -0.27 -0.49 0.20 -1.43 0.15 -1.26 -4.81 113.70 105.80 1ulj s SER 180 Ca 0.48 0.80 0.22 0.00 0.70 0.00 0.00 55.95 58.15 1ulj s SER 180 Cb 0.18 0.76 0.91 0.00 -1.71 0.00 0.00 66.02 66.16 1ulj s SER 180 CO -0.10 -0.26 1.67 -0.46 1.20 0.00 0.00 173.24 175.29 1ulj n ASN 181 N 1.73 0.54 -3.20 5.45 2.04 -1.26 -4.86 115.26 115.70 1ulj n ASN 181 Ca -0.13 0.63 -0.05 0.00 -0.44 0.00 0.00 54.58 54.59 1ulj n ASN 181 Cb 0.56 -0.74 0.02 0.00 -2.53 0.00 0.00 39.78 37.09 1ulj n ASN 181 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1ulj s ASN 182 N -4.01 0.01 -0.48 0.53 2.20 -1.26 -5.08 114.94 106.85 1ulj s ASN 182 Ca 0.05 -0.84 0.08 0.00 -0.94 0.00 0.00 52.86 51.21 1ulj s ASN 182 Cb 0.10 0.62 0.27 0.00 -2.00 0.00 0.00 41.25 40.23 1ulj s ASN 182 CO 0.38 -1.23 0.64 0.18 -2.94 0.00 0.00 177.10 174.14 1ulj n LEU 183 N -0.66 1.68 -0.73 3.54 4.77 -1.26 -4.95 117.00 119.38 1ulj n LEU 183 Ca -0.05 -5.03 0.08 0.00 -0.03 0.00 0.00 56.01 50.98 1ulj n LEU 183 Cb 0.60 0.15 0.22 0.00 -2.33 0.00 0.00 43.42 42.06 1ulj n LEU 183 CO 0.23 2.11 0.68 -1.54 -1.33 0.00 0.00 177.39 177.54 1ulj n SER 184 N 1.01 2.14 -2.74 -1.43 3.41 -1.26 -4.88 113.62 109.87 1ulj n SER 184 Ca 0.25 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.82 1ulj n SER 184 Cb 0.50 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1ulj n SER 184 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1ulj n PHE 185 N 0.65 0.32 -5.04 7.33 1.16 -1.26 -4.88 117.46 115.74 1ulj n PHE 185 Ca 0.14 -0.76 -0.29 0.00 -1.87 0.00 0.00 57.45 54.68 1ulj n PHE 185 Cb 0.35 -0.09 -0.16 0.00 -1.61 0.00 0.00 39.48 37.97 1ulj n PHE 185 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1ulj s PHE 186 N -1.60 2.08 -2.13 2.97 0.08 -1.26 -5.23 117.98 112.89 1ulj s PHE 186 Ca 0.01 -0.63 0.31 0.00 0.12 0.00 0.00 56.93 56.74 1ulj s PHE 186 Cb 0.00 -1.38 1.68 0.00 -0.57 0.00 0.00 43.02 42.75 1ulj s PHE 186 CO 0.00 -0.21 2.10 1.19 -0.10 0.00 0.00 175.22 178.21