#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 0.30 -5.19 -1.08 2.43 -2.07 -3.45 114.38 105.33 1ulj h ARG 12 Ca 0.00 -0.08 -0.44 0.00 -0.81 0.00 0.00 59.98 58.65 1ulj h ARG 12 Cb 0.00 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 29.37 1ulj h ARG 12 CO 0.00 0.47 -0.63 0.95 -1.51 0.00 0.00 179.97 179.25 1ulj s THR 13 N -4.66 1.13 0.21 0.20 -4.23 -1.26 -5.11 115.64 101.93 1ulj s THR 13 Ca -0.06 -2.02 -0.32 0.00 -1.18 0.00 0.00 61.69 58.11 1ulj s THR 13 Cb 0.15 -2.63 -0.12 0.00 1.34 0.00 0.00 72.50 71.24 1ulj s THR 13 CO 0.75 -0.11 1.69 -0.75 -0.54 0.00 0.00 174.62 175.66 1ulj s LYS 14 N -3.88 4.14 0.21 3.99 2.20 -1.26 -4.88 119.74 120.25 1ulj s LYS 14 Ca 0.34 2.58 -0.31 0.00 -0.36 0.00 0.00 55.97 58.21 1ulj s LYS 14 Cb 0.07 -3.08 -0.11 0.00 -1.51 0.00 0.00 37.83 33.20 1ulj s LYS 14 CO 0.13 -0.72 1.64 -2.14 -0.36 0.00 0.00 175.35 173.90 1ulj s PRO 15 N 1.00 4.16 0.18 4.03 0.02 -1.26 -4.95 135.00 138.18 1ulj s PRO 15 Ca 0.73 2.51 -0.32 0.00 0.02 0.00 0.00 61.00 63.93 1ulj s PRO 15 Cb -0.49 -3.09 -0.16 0.00 0.02 0.00 0.00 34.50 30.78 1ulj s PRO 15 CO 0.34 -0.67 1.10 0.00 -0.33 0.00 0.00 177.00 177.44 1ulj n ALA 16 N 3.60 -1.03 -1.67 -1.55 0.00 -1.26 -4.89 120.51 113.71 1ulj n ALA 16 Ca 0.13 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1ulj n ALA 16 Cb 0.37 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 17.86 1ulj n ALA 16 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ulj n PRO 17 N 1.59 1.56 -4.14 0.00 -0.02 -1.26 -4.95 135.00 127.77 1ulj n PRO 17 Ca 0.15 0.56 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 1ulj n PRO 17 Cb 0.24 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.29 2.82 0.24 -1.45 -7.23 -1.26 -5.10 120.40 107.14 1ulj s VAL 18 Ca 0.66 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1ulj s VAL 18 Cb -0.49 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 33.41 1ulj s VAL 18 CO 0.54 -0.15 1.44 -0.62 -0.31 0.00 0.00 175.10 175.99 1ulj s ASP 19 N -3.83 6.67 0.66 4.85 -1.08 -1.26 -4.88 116.67 117.79 1ulj s ASP 19 Ca 0.38 2.64 0.38 0.00 -0.52 0.00 0.00 52.55 55.43 1ulj s ASP 19 Cb -0.01 -2.62 2.09 0.00 -1.46 0.00 0.00 42.92 40.91 1ulj s ASP 19 CO 0.22 -0.70 2.19 1.55 0.52 0.00 0.00 175.17 178.95 1ulj h PRO 20 N 5.16 0.00 0.00 4.34 0.13 -1.99 -1.26 132.00 138.38 1ulj h PRO 20 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1ulj h PRO 20 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ulj h PRO 20 CO 0.78 0.00 -0.42 0.66 -0.23 0.00 0.00 178.00 178.79 1ulj h SER 21 N 0.00 0.00 -0.01 1.44 4.64 -1.99 -1.78 113.55 115.86 1ulj h SER 21 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1ulj h SER 21 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1ulj h SER 21 CO -0.00 0.42 -0.41 0.25 -0.87 0.00 0.00 176.83 176.22 1ulj h LEU 22 N 0.00 0.38 -0.47 5.97 5.85 -1.61 -1.97 115.31 123.45 1ulj h LEU 22 Ca -0.00 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 58.05 1ulj h LEU 22 Cb 1.13 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 1ulj h LEU 22 CO 0.05 1.08 -0.23 -0.61 -0.34 0.00 0.00 178.44 178.40 1ulj h GLN 23 N -0.29 -0.12 -0.27 1.25 5.75 -1.51 -1.15 115.11 118.77 1ulj h GLN 23 Ca -0.05 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1ulj h GLN 23 Cb 1.14 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1ulj h GLN 23 CO 0.08 -0.08 -0.29 1.25 -2.65 0.00 0.00 178.83 177.14 1ulj h HIS 24 N -0.12 0.63 -0.52 3.99 2.76 -1.35 -1.14 115.15 119.39 1ulj h HIS 24 Ca 0.22 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 1ulj h HIS 24 Cb 0.47 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1ulj h HIS 24 CO -0.49 0.78 -0.06 1.49 -1.30 0.00 0.00 177.93 178.35 1ulj h GLU 25 N 0.48 0.95 -0.00 5.26 4.81 -0.92 -2.16 114.58 123.00 1ulj h GLU 25 Ca 0.06 -0.33 -0.25 0.00 -0.13 0.00 0.00 59.36 58.70 1ulj h GLU 25 Cb 0.75 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.07 1ulj h GLU 25 CO 0.06 1.00 -1.01 0.82 -0.73 0.00 0.00 179.01 179.15 1ulj h ILE 26 N 0.82 1.32 0.16 2.32 2.04 -1.00 -2.35 117.51 120.82 1ulj h ILE 26 Ca 0.14 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 63.69 1ulj h ILE 26 Cb 0.61 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1ulj h ILE 26 CO 0.04 0.71 -0.11 -0.33 0.00 0.00 0.00 178.15 178.45 1ulj h GLU 27 N 0.34 -0.26 -0.38 2.37 5.08 -1.20 -1.07 114.58 119.46 1ulj h GLU 27 Ca -0.11 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1ulj h GLU 27 Cb 1.66 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1ulj h GLU 27 CO 0.19 -0.17 0.27 1.96 -1.00 0.00 0.00 179.01 180.26 1ulj h GLN 28 N -0.27 0.07 -0.40 2.33 1.08 -1.42 0.30 115.11 116.80 1ulj h GLN 28 Ca -0.01 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 1ulj h GLN 28 Cb 0.24 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1ulj h GLN 28 CO -0.00 0.05 -0.33 0.35 -0.95 0.00 0.00 178.83 177.95 1ulj h PHE 29 N 0.07 1.06 -0.01 2.96 3.04 -0.76 -1.55 116.94 121.75 1ulj h PHE 29 Ca 0.18 -0.29 -0.21 0.00 3.98 0.00 0.00 57.97 61.63 1ulj h PHE 29 Cb 0.62 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 1ulj h PHE 29 CO -0.00 1.10 -0.88 1.88 -2.02 0.00 0.00 178.31 178.39 1ulj h TYR 30 N 0.75 0.45 -0.20 0.41 0.99 0.22 -1.06 116.97 118.54 1ulj h TYR 30 Ca 0.08 -0.24 -0.13 0.00 2.00 0.00 0.00 58.73 60.44 1ulj h TYR 30 Cb 0.90 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 38.57 1ulj h TYR 30 CO 0.05 1.04 -0.42 1.88 -0.00 0.00 0.00 178.16 180.71 1ulj h TYR 31 N 0.18 0.56 -0.10 4.88 0.05 -0.51 -0.02 116.97 122.02 1ulj h TYR 31 Ca -0.06 -0.17 -0.21 0.00 0.05 0.00 0.00 58.73 58.35 1ulj h TYR 31 Cb 1.50 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 39.13 1ulj h TYR 31 CO 0.04 0.82 -0.76 2.35 -1.05 0.00 0.00 178.16 179.56 1ulj h TRP 32 N 0.39 0.95 -0.57 4.88 2.91 -1.29 -2.67 115.95 120.56 1ulj h TRP 32 Ca 0.03 -0.45 0.12 0.00 1.13 0.00 0.00 58.89 59.72 1ulj h TRP 32 Cb 0.91 -0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 29.32 1ulj h TRP 32 CO 0.03 1.27 -0.02 1.49 -1.03 0.00 0.00 178.44 180.18 1ulj h GLU 33 N 0.36 0.09 -0.77 2.65 4.81 -1.02 -1.72 114.58 118.99 1ulj h GLU 33 Ca -0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ulj h GLU 33 Cb 1.41 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 1ulj h GLU 33 CO 0.15 0.06 0.51 0.00 -0.73 0.00 0.00 179.01 179.00 1ulj h ALA 34 N 1.53 0.97 -0.54 2.92 0.00 -0.91 -1.94 119.26 121.29 1ulj h ALA 34 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ulj h ALA 34 Cb 0.46 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ulj h ALA 34 CO -0.50 0.39 0.30 -0.22 0.00 0.00 0.00 179.25 179.22 1ulj h LYS 35 N 1.04 0.75 -0.42 0.00 3.64 -1.11 -0.16 116.57 120.31 1ulj h LYS 35 Ca 0.28 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1ulj h LYS 35 Cb -0.12 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.51 1ulj h LYS 35 CO -0.06 0.57 0.15 -0.07 -2.27 0.00 0.00 179.45 177.78 1ulj h LEU 36 N 0.72 0.17 -0.33 5.20 3.38 -0.59 0.38 115.31 124.24 1ulj h LEU 36 Ca 0.19 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1ulj h LEU 36 Cb 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ulj h LEU 36 CO -0.03 0.13 -0.46 -0.07 0.09 0.00 0.00 178.44 178.10 1ulj h LEU 37 N 0.32 0.97 -0.38 1.67 3.38 -1.07 0.62 115.31 120.83 1ulj h LEU 37 Ca 0.20 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1ulj h LEU 37 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ulj h LEU 37 CO -0.20 1.28 -0.32 0.78 0.09 0.00 0.00 178.44 180.08 1ulj h ASN 38 N 0.68 0.00 -0.03 -0.43 2.35 -0.62 -3.02 115.58 114.52 1ulj h ASN 38 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1ulj h ASN 38 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1ulj h ASN 38 CO 0.11 0.32 -0.01 0.47 -1.65 0.00 0.00 177.43 176.67 1ulj n ASP 39 N -3.25 2.89 -0.90 5.81 9.92 0.09 -4.58 116.55 126.53 1ulj n ASP 39 Ca 0.02 -1.96 -0.08 0.00 -0.53 0.00 0.00 54.79 52.24 1ulj n ASP 39 Cb 0.59 0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 41.08 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 1.25 -0.64 -2.08 -1.24 1.74 -0.87 -4.94 116.66 109.88 1ulj n ARG 40 Ca 0.14 0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 1ulj n ARG 40 Cb 0.58 -4.38 -0.00 0.00 -1.02 0.00 0.00 32.46 27.64 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 -1.89 3.62 0.12 5.56 1.74 0.16 -4.74 116.66 121.23 1ulj n ARG 41 Ca -0.10 -3.22 -0.01 0.00 -0.77 0.00 0.00 57.85 53.76 1ulj n ARG 41 Cb 0.54 -2.95 0.06 0.00 -1.02 0.00 0.00 32.46 29.10 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 5.56 0.00 -0.70 -1.55 0.04 -1.92 -2.19 116.94 116.17 1ulj h PHE 42 Ca 0.52 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.24 1ulj h PHE 42 Cb 0.55 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1ulj h PHE 42 CO 1.40 0.66 0.28 0.37 -0.60 0.00 0.00 178.31 180.42 1ulj h GLN 43 N 0.00 1.06 -0.03 1.51 5.75 -1.96 -2.14 115.11 119.29 1ulj h GLN 43 Ca -0.01 -0.19 -0.16 0.00 -0.15 0.00 0.00 58.65 58.14 1ulj h GLN 43 Cb 1.37 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 1ulj h GLN 43 CO 0.09 0.87 -0.71 0.93 -2.65 0.00 0.00 178.83 177.36 1ulj h GLU 44 N 1.01 0.17 0.15 1.69 5.08 -1.92 -3.00 114.58 117.75 1ulj h GLU 44 Ca 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ulj h GLU 44 Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ulj h GLU 44 CO -0.02 0.81 -0.07 2.35 -1.00 0.00 0.00 179.01 181.08 1ulj h TRP 45 N 0.11 -0.18 -0.31 4.33 7.01 -1.17 -2.83 115.95 122.92 1ulj h TRP 45 Ca -0.02 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.07 1ulj h TRP 45 Cb 1.26 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.37 1ulj h TRP 45 CO 0.02 0.17 0.25 0.74 -2.79 0.00 0.00 178.44 176.83 1ulj h PHE 46 N -0.57 0.00 0.00 2.65 -1.00 -1.47 0.13 116.94 116.68 1ulj h PHE 46 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1ulj h PHE 46 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1ulj h PHE 46 CO 0.04 0.00 0.00 0.22 -1.61 0.00 0.00 178.31 176.96 1ulj h ASP 47 N 0.00 0.00 0.81 2.17 3.58 -1.35 -1.64 116.42 120.00 1ulj h ASP 47 Ca 0.15 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 1ulj h ASP 47 Cb 0.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1ulj h ASP 47 CO -0.00 0.00 -0.32 -0.07 -2.88 0.00 0.00 179.24 175.97 1ulj h LEU 48 N 0.00 0.00 -9.31 2.28 3.38 -0.94 -3.45 115.31 107.27 1ulj h LEU 48 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1ulj h LEU 48 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ulj h LEU 48 CO 0.00 0.32 0.84 -0.76 0.09 0.00 0.00 178.44 178.93 1ulj s LEU 49 N -7.06 4.28 0.81 1.67 1.43 -0.62 -0.56 118.68 118.64 1ulj s LEU 49 Ca -0.00 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1ulj s LEU 49 Cb 0.11 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.86 1ulj s LEU 49 CO 0.67 -0.72 1.16 0.00 0.23 0.00 0.00 176.35 177.69 1ulj s ALA 50 N 2.72 1.88 -0.19 4.21 0.00 -0.70 -4.87 121.76 124.81 1ulj s ALA 50 Ca 0.61 0.64 0.29 0.00 0.00 0.00 0.00 51.96 53.50 1ulj s ALA 50 Cb -0.28 -3.42 1.18 0.00 0.00 0.00 0.00 23.12 20.60 1ulj s ALA 50 CO 0.24 -2.22 1.85 0.93 0.00 0.00 0.00 175.76 176.56 1ulj h GLU 51 N -1.11 0.00 -0.75 0.00 5.08 -1.95 -1.39 114.58 114.46 1ulj h GLU 51 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ulj h GLU 51 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ulj h GLU 51 CO 0.47 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 1ulj n ASP 52 N -2.67 3.89 -4.67 1.42 3.85 -1.26 -4.40 116.55 112.71 1ulj n ASP 52 Ca 0.01 -2.57 -0.46 0.00 -0.71 0.00 0.00 54.79 51.06 1ulj n ASP 52 Cb 0.27 -0.61 -0.04 0.00 -1.35 0.00 0.00 41.12 39.38 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 0.38 0.18 -3.82 2.12 0.13 -0.53 -4.83 119.36 112.99 1ulj n ILE 53 Ca 0.17 -0.03 -0.35 0.00 -1.10 0.00 0.00 62.75 61.44 1ulj n ILE 53 Cb 0.83 -1.68 -0.12 0.00 -0.84 0.00 0.00 39.64 37.83 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 1.87 3.59 -0.62 9.51 5.65 -1.00 -3.67 115.29 130.62 1ulj s HIS 54 Ca 0.83 -2.58 -0.16 0.00 0.25 0.00 0.00 55.06 53.40 1ulj s HIS 54 Cb -0.66 -3.16 0.15 0.00 -1.18 0.00 0.00 32.58 27.73 1ulj s HIS 54 CO 0.41 -0.95 0.59 -0.47 -0.65 0.00 0.00 174.74 173.68 1ulj s TYR 55 N 0.92 3.36 -0.07 3.88 5.04 -0.72 -1.33 117.35 128.42 1ulj s TYR 55 Ca 0.10 -1.44 0.03 0.00 -2.44 0.00 0.00 57.07 53.32 1ulj s TYR 55 Cb -0.22 -3.83 -0.02 0.00 0.35 0.00 0.00 41.96 38.24 1ulj s TYR 55 CO -0.05 -1.04 -0.15 0.12 -1.34 0.00 0.00 175.55 173.09 1ulj s PHE 56 N 1.34 2.70 -0.33 4.97 5.99 0.18 -1.48 117.98 131.36 1ulj s PHE 56 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 56.93 56.63 1ulj s PHE 56 Cb -0.24 -1.69 0.12 0.00 0.00 0.00 0.00 43.02 41.22 1ulj s PHE 56 CO 0.00 0.02 0.18 1.41 -0.00 0.00 0.00 175.22 176.84 1ulj s MET 57 N -0.35 0.40 0.69 10.12 1.75 0.30 -1.23 119.30 130.98 1ulj s MET 57 Ca 0.03 -0.99 -0.14 0.00 -1.25 0.00 0.00 55.69 53.34 1ulj s MET 57 Cb -0.12 -1.23 0.02 0.00 2.84 0.00 0.00 34.83 36.33 1ulj s MET 57 CO 0.02 -1.13 1.10 -1.25 -0.65 0.00 0.00 175.02 173.11 1ulj s PRO 58 N 1.50 2.65 0.12 4.11 0.04 -1.26 -1.28 135.00 140.89 1ulj s PRO 58 Ca 0.14 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1ulj s PRO 58 Cb -0.20 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1ulj s PRO 58 CO -0.14 -1.35 1.01 0.42 0.04 0.00 0.00 177.00 176.97 1ulj s ILE 59 N -2.50 4.33 -0.09 0.56 1.01 -1.26 -4.67 121.20 118.59 1ulj s ILE 59 Ca 0.65 1.92 -0.01 0.00 0.00 0.00 0.00 60.65 63.21 1ulj s ILE 59 Cb -0.20 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1ulj s ILE 59 CO 0.45 0.29 -0.03 -0.60 0.00 0.00 0.00 174.94 175.05 1ulj s ARG 60 N 0.01 2.96 0.32 2.79 3.52 -1.26 -1.65 118.95 125.63 1ulj s ARG 60 Ca 0.48 -0.47 0.08 0.00 -0.13 0.00 0.00 55.73 55.69 1ulj s ARG 60 Cb -0.25 -2.73 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1ulj s ARG 60 CO 0.31 0.64 -0.07 0.95 -0.81 0.00 0.00 175.30 176.32 1ulj s THR 61 N -0.74 1.95 -0.24 4.11 -4.23 -0.38 -4.39 115.64 111.71 1ulj s THR 61 Ca 0.11 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.31 1ulj s THR 61 Cb -0.11 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1ulj s THR 61 CO 0.02 -0.23 0.40 -0.89 -0.54 0.00 0.00 174.62 173.37 1ulj s THR 62 N -2.80 5.17 0.06 3.99 2.01 -1.26 -4.82 115.64 117.98 1ulj s THR 62 Ca 0.31 0.65 0.06 0.00 0.31 0.00 0.00 61.69 63.02 1ulj s THR 62 Cb 0.03 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1ulj s THR 62 CO 0.15 0.18 -0.16 -0.13 -0.69 0.00 0.00 174.62 173.97 1ulj s ARG 63 N 1.83 0.99 0.83 4.92 1.81 -1.26 -5.08 118.95 122.98 1ulj s ARG 63 Ca 0.17 -0.91 -0.11 0.00 -1.72 0.00 0.00 55.73 53.16 1ulj s ARG 63 Cb -0.15 -1.06 0.09 0.00 -0.45 0.00 0.00 34.95 33.37 1ulj s ARG 63 CO 0.09 0.25 1.12 0.96 -0.68 0.00 0.00 175.30 177.05 1ulj s ILE 64 N -1.02 2.73 0.27 1.52 -4.36 -1.26 -4.82 121.20 114.26 1ulj s ILE 64 Ca 0.02 0.25 -0.01 0.00 -0.26 0.00 0.00 60.65 60.65 1ulj s ILE 64 Cb -0.09 -2.54 0.28 0.00 1.25 0.00 0.00 42.46 41.36 1ulj s ILE 64 CO 0.02 -0.30 1.86 -0.03 0.24 0.00 0.00 174.94 176.73 1ulj h MET 65 N -1.36 1.08 0.00 0.37 1.85 -2.01 -1.64 114.93 113.22 1ulj h MET 65 Ca -0.44 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 1ulj h MET 65 Cb 1.25 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 33.04 1ulj h MET 65 CO 0.47 0.71 0.00 2.89 -0.40 0.00 0.00 176.91 180.58 1ulj n ARG 66 N -4.55 0.03 -0.21 0.39 1.85 -1.26 -2.88 116.66 110.03 1ulj n ARG 66 Ca 0.17 0.16 0.09 0.00 -1.00 0.00 0.00 57.85 57.27 1ulj n ARG 66 Cb 0.26 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.31 1ulj n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ulj n GLU 67 N -1.48 1.22 0.00 2.89 1.02 -0.63 -4.78 120.64 118.89 1ulj n GLU 67 Ca 0.05 -2.58 0.04 0.00 -0.02 0.00 0.00 57.16 54.65 1ulj n GLU 67 Cb 0.22 -1.43 0.19 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.26 1.12 0.04 2.62 -2.24 -1.14 -1.53 114.28 111.90 1ulj n THR 68 Ca 0.15 0.28 0.02 0.00 -2.27 0.00 0.00 64.05 62.23 1ulj n THR 68 Cb 0.66 -1.14 0.36 0.00 -2.10 0.00 0.00 70.33 68.11 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 2.34 1.49 -0.31 6.98 0.00 -1.87 -2.41 119.26 125.48 1ulj h ALA 69 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ulj h ALA 69 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ulj h ALA 69 CO 0.00 0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.66 1ulj n GLN 70 N -4.32 1.91 -0.18 0.00 3.00 -0.58 -4.42 117.38 112.80 1ulj n GLN 70 Ca 0.01 -1.20 0.08 0.00 -0.01 0.00 0.00 57.00 55.88 1ulj n GLN 70 Cb 0.21 -1.35 0.38 0.00 0.00 0.00 0.00 30.24 29.49 1ulj n GLN 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1ulj h GLU 71 N 1.87 0.67 -6.43 -1.09 4.81 -1.57 -3.42 114.58 109.42 1ulj h GLU 71 Ca 0.00 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.51 1ulj h GLU 71 Cb 0.55 -0.15 -0.20 0.00 0.63 0.00 0.00 28.75 29.58 1ulj h GLU 71 CO 0.04 0.44 -0.76 0.71 -0.73 0.00 0.00 179.01 178.71 1ulj s TYR 72 N -5.63 2.70 0.41 0.92 1.51 -1.26 -1.25 117.35 114.75 1ulj s TYR 72 Ca -0.09 -0.16 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 1ulj s TYR 72 Cb 0.20 -1.54 -0.08 0.00 -0.11 0.00 0.00 41.96 40.42 1ulj s TYR 72 CO 0.77 0.29 1.26 -1.54 -1.11 0.00 0.00 175.55 175.21 1ulj s SER 73 N -1.34 6.37 0.06 2.29 1.04 -0.66 -4.99 113.70 116.47 1ulj s SER 73 Ca 0.15 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.13 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 0.06 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1ulj n GLY 74 N 0.67 1.30 0.45 7.32 0.00 -1.26 -4.73 105.19 108.93 1ulj n GLY 74 Ca 0.04 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.90 -0.91 -0.57 4.61 0.00 -1.98 -2.84 119.26 116.66 1ulj h ALA 75 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1ulj h ALA 75 Cb 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1ulj h ALA 75 CO 0.00 -1.07 0.32 0.54 0.00 0.00 0.00 179.25 179.04 1ulj n ARG 76 N -5.50 2.22 -4.32 0.00 5.12 -1.26 -4.91 116.66 108.01 1ulj n ARG 76 Ca -0.09 -1.95 -0.24 0.00 -1.93 0.00 0.00 57.85 53.64 1ulj n ARG 76 Cb 0.41 -1.81 -0.08 0.00 -1.16 0.00 0.00 32.46 29.81 1ulj n ARG 76 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ulj s GLU 77 N -2.12 2.10 0.67 5.56 2.02 -1.07 -5.12 118.70 120.74 1ulj s GLU 77 Ca 0.36 -1.73 -0.16 0.00 0.02 0.00 0.00 54.97 53.46 1ulj s GLU 77 Cb 0.30 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.59 1ulj s GLU 77 CO 0.08 0.14 1.21 -0.47 0.02 0.00 0.00 175.26 176.24 1ulj s TYR 78 N -2.51 2.20 0.16 1.61 5.04 -1.26 -4.85 117.35 117.74 1ulj s TYR 78 Ca 0.35 1.56 -0.19 0.00 -2.44 0.00 0.00 57.07 56.35 1ulj s TYR 78 Cb -0.00 -3.48 0.04 0.00 0.35 0.00 0.00 41.96 38.87 1ulj s TYR 78 CO 0.20 -2.46 0.51 0.00 -1.34 0.00 0.00 175.55 172.46 1ulj s ALA 79 N -1.83 -1.14 0.02 3.97 0.00 -1.26 -4.25 121.76 117.26 1ulj s ALA 79 Ca 0.76 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1ulj s ALA 79 Cb -0.30 0.81 -0.20 0.00 0.00 0.00 0.00 23.12 23.43 1ulj s ALA 79 CO 0.41 -0.74 1.18 0.45 0.00 0.00 0.00 175.76 177.06 1ulj h HIS 80 N 2.19 0.60 -3.95 0.00 -0.00 -1.46 -3.45 115.15 109.08 1ulj h HIS 80 Ca -0.32 -0.28 -0.32 0.00 -0.00 0.00 0.00 60.37 59.45 1ulj h HIS 80 Cb 1.27 -0.09 -0.25 0.00 -0.00 0.00 0.00 27.41 28.35 1ulj h HIS 80 CO 0.31 1.05 -0.75 -0.06 -0.00 0.00 0.00 177.93 178.48 1ulj s PHE 81 N -3.56 0.66 -0.46 2.45 0.40 -1.15 -4.96 117.98 111.37 1ulj s PHE 81 Ca -0.13 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1ulj s PHE 81 Cb 0.04 -0.41 0.24 0.00 0.51 0.00 0.00 43.02 43.40 1ulj s PHE 81 CO 0.81 -0.03 0.94 -3.47 0.70 0.00 0.00 175.22 174.17 1ulj n ASP 82 N 2.22 -2.62 -4.55 1.36 4.64 -1.19 -0.54 116.55 115.87 1ulj n ASP 82 Ca -0.17 -2.88 -0.29 0.00 -1.38 0.00 0.00 54.79 50.07 1ulj n ASP 82 Cb 0.56 1.57 -0.10 0.00 -1.04 0.00 0.00 41.12 42.11 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 -0.99 4.22 0.56 1.67 1.01 -0.55 -4.95 116.67 117.64 1ulj s ASP 83 Ca 0.30 -0.48 0.05 0.00 0.71 0.00 0.00 52.55 53.13 1ulj s ASP 83 Cb 0.19 -0.73 0.05 0.00 1.01 0.00 0.00 42.92 43.44 1ulj s ASP 83 CO -0.19 0.16 0.40 0.54 0.21 0.00 0.00 175.17 176.29 1ulj s ASN 84 N -2.33 4.58 0.30 0.27 2.20 -1.26 -1.75 114.94 116.95 1ulj s ASN 84 Ca 0.21 -1.32 0.02 0.00 -0.94 0.00 0.00 52.86 50.83 1ulj s ASN 84 Cb -0.10 0.55 0.58 0.00 -2.00 0.00 0.00 41.25 40.28 1ulj s ASN 84 CO 0.13 -1.16 1.86 0.00 -2.94 0.00 0.00 177.10 174.99 1ulj h ALA 85 N 0.72 1.56 -0.43 3.54 0.00 -1.77 -1.82 119.26 121.06 1ulj h ALA 85 Ca -0.36 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1ulj h ALA 85 Cb 1.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ulj h ALA 85 CO 0.57 0.22 0.07 0.37 0.00 0.00 0.00 179.25 180.49 1ulj h GLN 86 N 0.97 0.71 -0.38 0.00 4.15 -1.94 -1.96 115.11 116.66 1ulj h GLN 86 Ca 0.47 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 1ulj h GLN 86 Cb 0.45 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1ulj h GLN 86 CO -0.23 0.74 -0.01 0.52 -1.93 0.00 0.00 178.83 177.93 1ulj h MET 87 N 0.57 0.69 -0.31 1.69 2.86 -1.83 -2.64 114.93 115.96 1ulj h MET 87 Ca 0.13 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1ulj h MET 87 Cb 0.38 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1ulj h MET 87 CO 0.01 0.79 -0.07 0.52 1.06 0.00 0.00 176.91 179.22 1ulj h MET 88 N 0.51 0.50 -0.57 1.72 2.86 -1.32 -2.16 114.93 116.47 1ulj h MET 88 Ca 0.11 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1ulj h MET 88 Cb 0.49 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1ulj h MET 88 CO 0.02 0.58 0.17 -0.09 1.06 0.00 0.00 176.91 178.65 1ulj h ARG 89 N 0.47 0.86 -0.76 1.72 2.43 -1.07 -0.76 114.38 117.27 1ulj h ARG 89 Ca 0.09 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1ulj h ARG 89 Cb 0.42 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1ulj h ARG 89 CO 0.02 0.76 0.38 0.78 -1.51 0.00 0.00 179.97 180.40 1ulj h GLY 90 N 0.98 1.17 2.00 2.80 0.00 -1.06 -1.47 103.07 107.48 1ulj h GLY 90 Ca 0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1ulj h GLY 90 CO -0.01 0.54 -0.36 3.21 0.00 0.00 0.00 176.54 179.92 1ulj h ARG 91 N 1.07 0.00 -0.25 4.80 3.08 -0.73 -1.72 114.38 120.63 1ulj h ARG 91 Ca 0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 1ulj h ARG 91 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ulj h ARG 91 CO -0.04 0.36 -0.30 1.25 -1.07 0.00 0.00 179.97 180.18 1ulj h LEU 92 N 0.00 0.71 -1.49 3.04 6.46 -0.79 -2.12 115.31 121.12 1ulj h LEU 92 Ca -0.00 -0.49 -0.05 0.00 -0.12 0.00 0.00 57.88 57.22 1ulj h LEU 92 Cb 0.65 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1ulj h LEU 92 CO 0.05 1.05 -0.16 -0.09 -0.62 0.00 0.00 178.44 178.67 1ulj h ARG 93 N 0.37 0.13 0.02 1.25 2.43 -0.99 -2.08 114.38 115.51 1ulj h ARG 93 Ca 0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ulj h ARG 93 Cb 0.88 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1ulj h ARG 93 CO 0.07 0.29 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.60 1ulj h LYS 94 N 0.12 -0.03 0.00 0.20 3.64 -1.28 -3.32 116.57 115.90 1ulj h LYS 94 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ulj h LYS 94 Cb 0.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1ulj h LYS 94 CO 0.02 0.62 0.00 1.51 -2.27 0.00 0.00 179.45 179.33 1ulj n ILE 95 N -4.79 0.73 -2.05 2.00 3.06 -0.80 -2.75 119.36 114.76 1ulj n ILE 95 Ca -0.09 0.12 -0.34 0.00 -2.50 0.00 0.00 62.75 59.94 1ulj n ILE 95 Cb 0.32 -0.93 0.03 0.00 0.54 0.00 0.00 39.64 39.60 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 -1.95 3.13 -4.10 9.51 -2.24 -0.80 -4.96 114.28 112.87 1ulj n THR 96 Ca 0.04 -4.37 -0.14 0.00 -2.27 0.00 0.00 64.05 57.30 1ulj n THR 96 Cb 0.26 -1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 67.13 1ulj n THR 96 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ulj s SER 97 N -2.13 0.73 0.00 3.42 1.04 -1.11 -4.99 113.70 110.66 1ulj s SER 97 Ca 0.52 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1ulj s SER 97 Cb 0.43 -0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.73 1ulj s SER 97 CO -0.27 -0.09 1.05 -0.90 0.98 0.00 0.00 173.24 174.01 1ulj n ASP 98 N 2.14 0.00 -0.05 7.02 5.68 -1.26 -2.84 116.55 127.23 1ulj n ASP 98 Ca -0.18 -1.74 0.03 0.00 -0.50 0.00 0.00 54.79 52.40 1ulj n ASP 98 Cb 0.56 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.58 1ulj n ASP 98 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1ulj n VAL 99 N -0.55 1.09 -3.02 2.12 0.24 -1.26 -4.95 118.33 112.00 1ulj n VAL 99 Ca 0.02 -1.21 -0.44 0.00 -2.04 0.00 0.00 64.34 60.68 1ulj n VAL 99 Cb 0.01 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.45 6.40 0.22 -1.34 0.15 -1.13 -4.93 113.70 111.62 1ulj s SER 100 Ca 0.09 -1.68 0.09 0.00 0.70 0.00 0.00 55.95 55.15 1ulj s SER 100 Cb 0.08 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.19 1ulj s SER 100 CO 0.01 -1.11 1.49 -0.50 1.20 0.00 0.00 173.24 174.33 1ulj h TRP 101 N 9.00 0.02 0.00 3.44 -0.00 -1.91 -1.63 115.95 124.87 1ulj h TRP 101 Ca -0.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 1ulj h TRP 101 Cb 1.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.21 1ulj h TRP 101 CO 1.00 0.77 -0.05 0.66 -0.00 0.00 0.00 178.44 180.81 1ulj h SER 102 N 0.01 0.00 -0.30 -3.49 4.64 -1.91 -3.18 113.55 109.32 1ulj h SER 102 Ca -0.01 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1ulj h SER 102 Cb 1.34 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.11 1ulj h SER 102 CO 0.10 0.05 -0.89 -0.62 -0.87 0.00 0.00 176.83 174.60 1ulj n GLU 103 N -3.32 1.68 -3.13 4.77 -0.58 -0.96 -4.55 120.64 114.55 1ulj n GLU 103 Ca -0.02 -3.22 0.01 0.00 -0.42 0.00 0.00 57.16 53.52 1ulj n GLU 103 Cb 0.20 -1.34 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 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 -3.15 -1.31 0.63 1.62 2.47 -0.66 -3.71 114.94 110.83 1ulj s ASN 104 Ca 0.37 -0.58 -0.17 0.00 0.42 0.00 0.00 52.86 52.90 1ulj s ASN 104 Cb 0.37 1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 41.85 1ulj s ASN 104 CO -0.06 -0.15 1.14 -2.16 -3.72 0.00 0.00 177.10 172.15 1ulj s PRO 105 N 1.97 2.86 0.19 0.43 0.04 -1.26 -4.49 135.00 134.74 1ulj s PRO 105 Ca 0.15 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1ulj s PRO 105 Cb -0.03 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1ulj s PRO 105 CO -0.10 -1.23 0.74 0.00 0.04 0.00 0.00 177.00 176.44 1ulj s ALA 106 N -2.04 3.43 0.79 8.56 0.00 -1.24 -4.84 121.76 126.42 1ulj s ALA 106 Ca 0.71 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1ulj s ALA 106 Cb -0.24 -2.87 0.06 0.00 0.00 0.00 0.00 23.12 20.08 1ulj s ALA 106 CO 0.37 0.32 1.09 -1.54 0.00 0.00 0.00 175.76 175.99 1ulj s SER 107 N -1.43 4.43 -0.23 0.00 1.04 -1.26 -4.85 113.70 111.40 1ulj s SER 107 Ca 0.39 1.70 -0.06 0.00 0.48 0.00 0.00 55.95 58.46 1ulj s SER 107 Cb -0.19 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1ulj s SER 107 CO 0.23 -2.06 0.04 -0.13 0.98 0.00 0.00 173.24 172.30 1ulj s ARG 108 N -4.95 3.63 0.23 4.02 0.52 -0.31 -4.99 118.95 117.09 1ulj s ARG 108 Ca 0.61 -0.50 0.11 0.00 -0.52 0.00 0.00 55.73 55.43 1ulj s ARG 108 Cb -0.17 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1ulj s ARG 108 CO 0.56 -0.13 -0.17 0.95 0.02 0.00 0.00 175.30 176.52 1ulj s THR 109 N 1.44 2.68 -0.04 0.02 -4.23 -1.26 -1.17 115.64 113.07 1ulj s THR 109 Ca 0.05 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1ulj s THR 109 Cb -0.15 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.37 1ulj s THR 109 CO 0.02 -0.25 0.07 -0.60 -0.54 0.00 0.00 174.62 173.32 1ulj s ARG 110 N -3.14 -0.06 -0.50 3.99 6.06 -0.04 -4.66 118.95 120.61 1ulj s ARG 110 Ca 0.26 0.39 -0.13 0.00 -2.50 0.00 0.00 55.73 53.74 1ulj s ARG 110 Cb -0.07 -0.44 0.12 0.00 0.06 0.00 0.00 34.95 34.62 1ulj s ARG 110 CO 0.14 -0.31 0.43 -1.01 -2.50 0.00 0.00 175.30 172.05 1ulj s HIS 111 N 2.06 3.31 -0.60 5.12 3.76 -1.26 -1.92 115.29 125.76 1ulj s HIS 111 Ca 0.03 -1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 53.29 1ulj s HIS 111 Cb -0.12 -3.59 0.08 0.00 1.11 0.00 0.00 32.58 30.06 1ulj s HIS 111 CO -0.03 -0.98 0.81 0.08 -0.85 0.00 0.00 174.74 173.77 1ulj s VAL 112 N 1.52 4.61 0.00 -0.90 1.01 -0.32 -4.90 120.40 121.42 1ulj s VAL 112 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1ulj s VAL 112 Cb -0.28 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.51 1ulj s VAL 112 CO 0.02 -1.21 0.34 -0.63 0.00 0.00 0.00 175.10 173.63 1ulj s ILE 113 N 3.29 5.16 0.19 2.22 -1.09 -1.26 -1.66 121.20 128.05 1ulj s ILE 113 Ca 0.17 0.56 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 1ulj s ILE 113 Cb -0.20 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1ulj s ILE 113 CO 0.09 0.49 0.37 -0.24 -1.23 0.00 0.00 174.94 174.42 1ulj n SER 114 N 1.53 -1.07 -3.00 3.58 2.88 -0.91 -5.00 113.62 111.63 1ulj n SER 114 Ca -0.13 -1.80 -0.22 0.00 -1.33 0.00 0.00 58.87 55.38 1ulj n SER 114 Cb 0.53 1.81 0.04 0.00 -0.75 0.00 0.00 64.21 65.83 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 -1.34 -6.15 -4.63 -3.46 4.13 -1.26 -1.33 115.26 101.22 1ulj n ASN 115 Ca -0.04 -0.29 -0.43 0.00 1.68 0.00 0.00 54.58 55.51 1ulj n ASN 115 Cb 0.29 -4.96 -0.02 0.00 -1.54 0.00 0.00 39.78 33.55 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 -3.18 3.85 -0.07 2.41 1.01 -1.26 -4.24 120.40 118.92 1ulj s VAL 116 Ca 0.31 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1ulj s VAL 116 Cb -0.13 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1ulj s VAL 116 CO 0.38 -0.34 -0.22 -0.04 0.00 0.00 0.00 175.10 174.88 1ulj s MET 117 N 4.46 2.48 -0.10 2.72 -1.94 -0.61 -5.01 119.30 121.30 1ulj s MET 117 Ca 0.66 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1ulj s MET 117 Cb -0.22 -2.03 0.01 0.00 2.01 0.00 0.00 34.83 34.59 1ulj s MET 117 CO 0.27 0.28 -0.20 0.42 -0.01 0.00 0.00 175.02 175.78 1ulj s ILE 118 N 0.06 1.80 0.03 2.53 1.01 -1.26 -1.46 121.20 123.91 1ulj s ILE 118 Ca -0.08 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.80 1ulj s ILE 118 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1ulj s ILE 118 CO 0.05 0.50 -0.24 -0.69 0.00 0.00 0.00 174.94 174.56 1ulj s VAL 119 N 0.60 1.94 0.18 2.92 1.01 0.09 -4.82 120.40 122.32 1ulj s VAL 119 Ca -0.14 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1ulj s VAL 119 Cb -0.17 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 1ulj s VAL 119 CO 0.04 0.35 1.15 -1.81 0.00 0.00 0.00 175.10 174.84 1ulj s ASP 120 N -1.08 7.16 1.05 3.32 -0.00 -1.26 -0.28 116.67 125.59 1ulj s ASP 120 Ca 0.10 2.16 -0.17 0.00 -0.00 0.00 0.00 52.55 54.65 1ulj s ASP 120 Cb -0.09 -2.60 0.22 0.00 -0.00 0.00 0.00 42.92 40.44 1ulj s ASP 120 CO 0.01 -0.31 1.21 -0.83 -0.00 0.00 0.00 175.17 175.25 1ulj s GLY 121 N 0.04 1.67 0.00 0.21 0.00 -0.74 -4.66 107.32 103.85 1ulj s GLY 121 Ca 0.51 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 44.05 1ulj s GLY 121 CO 0.36 -0.21 0.97 0.83 0.00 0.00 0.00 173.10 175.05 1ulj h GLU 122 N -1.99 -0.70 -6.92 2.90 3.07 -1.96 -3.42 114.58 105.56 1ulj h GLU 122 Ca -0.46 0.05 -0.48 0.00 -0.50 0.00 0.00 59.36 57.97 1ulj h GLU 122 Cb 1.27 0.16 0.01 0.00 -0.84 0.00 0.00 28.75 29.35 1ulj h GLU 122 CO 0.41 -0.47 0.40 0.15 -1.40 0.00 0.00 179.01 178.10 1ulj s LYS 123 N -4.07 4.35 0.57 2.33 1.02 -1.26 -5.04 119.74 117.65 1ulj s LYS 123 Ca -0.11 1.51 -0.18 0.00 0.02 0.00 0.00 55.97 57.22 1ulj s LYS 123 Cb 0.01 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1ulj s LYS 123 CO 0.32 0.03 1.10 -2.14 -0.92 0.00 0.00 175.35 173.73 1ulj s PRO 124 N -2.20 3.30 0.00 -1.68 0.02 -1.26 -2.85 135.00 130.33 1ulj s PRO 124 Ca 0.53 1.44 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1ulj s PRO 124 Cb -0.23 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.28 1ulj s PRO 124 CO 0.29 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1ulj n GLY 125 N -0.27 2.26 3.80 0.52 0.00 -1.26 -4.96 105.19 105.29 1ulj n GLY 125 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 2.91 -0.22 1.61 2.02 -1.13 -0.02 118.70 123.57 1ulj s GLU 126 Ca 0.00 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 54.03 1ulj s GLU 126 Cb 0.00 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.70 1ulj s GLU 126 CO 0.00 0.47 0.43 0.71 0.02 0.00 0.00 175.26 176.89 1ulj s TYR 127 N -1.82 -0.87 -0.08 1.61 1.51 -0.43 -1.78 117.35 115.49 1ulj s TYR 127 Ca 0.31 1.48 -0.30 0.00 -1.01 0.00 0.00 57.07 57.56 1ulj s TYR 127 Cb -0.10 0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 42.03 1ulj s TYR 127 CO 0.24 -0.54 1.23 -1.01 -1.11 0.00 0.00 175.55 174.35 1ulj s HIS 128 N 2.63 3.08 -0.06 2.71 3.76 0.62 -1.87 115.29 126.16 1ulj s HIS 128 Ca 0.01 1.14 0.04 0.00 -0.15 0.00 0.00 55.06 56.10 1ulj s HIS 128 Cb -0.13 -3.46 -0.00 0.00 1.11 0.00 0.00 32.58 30.11 1ulj s HIS 128 CO -0.14 -1.48 -0.20 0.08 -0.85 0.00 0.00 174.74 172.16 1ulj s VAL 129 N 2.55 1.67 -0.12 -0.90 1.01 -0.56 -0.73 120.40 123.31 1ulj s VAL 129 Ca 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ulj s VAL 129 Cb -0.24 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1ulj s VAL 129 CO 0.20 0.47 -0.12 -0.55 0.00 0.00 0.00 175.10 175.10 1ulj s SER 130 N 0.16 4.08 0.14 3.32 0.15 -0.54 -0.90 113.70 120.11 1ulj s SER 130 Ca -0.09 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.19 1ulj s SER 130 Cb -0.14 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1ulj s SER 130 CO 0.04 0.19 0.23 -0.94 1.20 0.00 0.00 173.24 173.97 1ulj s SER 131 N 0.20 0.09 0.36 5.45 1.04 -1.00 -1.58 113.70 118.26 1ulj s SER 131 Ca -0.07 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 55.60 1ulj s SER 131 Cb -0.15 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1ulj s SER 131 CO 0.05 -0.83 0.17 0.68 0.98 0.00 0.00 173.24 174.30 1ulj s VAL 132 N -3.94 2.93 0.01 5.02 -7.23 -0.44 -0.83 120.40 115.91 1ulj s VAL 132 Ca 0.14 -1.65 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 1ulj s VAL 132 Cb 0.04 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 34.02 1ulj s VAL 132 CO -0.03 -0.14 0.35 0.72 -0.31 0.00 0.00 175.10 175.68 1ulj s PHE 133 N -2.45 -0.20 -0.12 2.82 -0.71 -0.87 -2.13 117.98 114.32 1ulj s PHE 133 Ca 0.39 0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 56.50 1ulj s PHE 133 Cb -0.02 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1ulj s PHE 133 CO 0.23 -0.46 -0.10 0.42 -1.34 0.00 0.00 175.22 173.97 1ulj s ILE 134 N -1.82 3.37 -0.23 -4.49 1.01 -0.66 -2.84 121.20 115.55 1ulj s ILE 134 Ca -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1ulj s ILE 134 Cb -0.03 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1ulj s ILE 134 CO 0.02 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1ulj s VAL 135 N 0.15 3.38 -0.23 2.92 1.01 -0.63 -1.18 120.40 125.83 1ulj s VAL 135 Ca -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ulj s VAL 135 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1ulj s VAL 135 CO 0.04 0.39 0.02 -0.47 0.00 0.00 0.00 175.10 175.08 1ulj s TYR 136 N 1.47 3.03 -0.07 5.22 6.14 -0.81 -0.33 117.35 132.01 1ulj s TYR 136 Ca 0.05 -0.58 -0.00 0.00 0.64 0.00 0.00 57.07 57.17 1ulj s TYR 136 Cb -0.15 -2.15 0.02 0.00 0.42 0.00 0.00 41.96 40.11 1ulj s TYR 136 CO -0.03 -0.38 -0.03 0.50 0.64 0.00 0.00 175.55 176.25 1ulj s ARG 137 N 1.40 0.92 -0.08 4.97 3.00 -0.46 -0.86 118.95 127.84 1ulj s ARG 137 Ca 0.05 -0.05 0.03 0.00 -1.00 0.00 0.00 55.73 54.75 1ulj s ARG 137 Cb -0.15 -1.10 0.01 0.00 0.00 0.00 0.00 34.95 33.71 1ulj s ARG 137 CO 0.01 -0.23 -0.16 1.21 0.00 0.00 0.00 175.30 176.13 1ulj s ASN 138 N 1.59 2.23 0.14 -2.12 3.84 -0.32 -0.60 114.94 119.71 1ulj s ASN 138 Ca 0.00 -0.39 -0.01 0.00 0.21 0.00 0.00 52.86 52.67 1ulj s ASN 138 Cb -0.13 -1.02 -0.04 0.00 -0.55 0.00 0.00 41.25 39.51 1ulj s ASN 138 CO -0.04 0.07 0.08 0.00 -2.79 0.00 0.00 177.10 174.41 1ulj s ARG 139 N 0.60 0.97 4.30 0.43 1.70 -0.88 -1.17 118.95 124.90 1ulj s ARG 139 Ca -0.15 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 53.66 1ulj s ARG 139 Cb -0.16 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1ulj s ARG 139 CO 0.05 -0.29 0.00 1.28 -1.08 0.00 0.00 175.30 175.26 1ulj n LEU 140 N -0.12 0.00 -0.05 -1.89 4.77 -1.26 -1.75 117.00 116.70 1ulj n LEU 140 Ca -0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1ulj n LEU 140 Cb 0.64 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1ulj n LEU 140 CO 0.31 0.00 0.40 -0.33 -1.33 0.00 0.00 177.39 176.44 1ulj h GLU 141 N 0.00 -0.02 0.00 3.23 5.08 -2.04 -3.44 114.58 117.40 1ulj h GLU 141 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.78 -0.25 0.54 -1.00 0.00 0.00 179.01 179.08 1ulj n ARG 142 N -4.69 0.00 -2.48 2.33 1.74 -1.22 -5.09 116.66 107.25 1ulj n ARG 142 Ca -0.09 -0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 55.93 1ulj n ARG 142 Cb 0.39 -0.40 -0.04 0.00 -1.02 0.00 0.00 32.46 31.39 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 4.56 -0.17 5.56 0.74 -0.71 -4.94 119.66 124.70 1ulj s GLN 143 Ca 0.00 1.75 -0.05 0.00 0.05 0.00 0.00 55.36 57.11 1ulj s GLN 143 Cb 0.00 -3.28 0.06 0.00 1.10 0.00 0.00 33.01 30.89 1ulj s GLN 143 CO 0.00 0.02 0.09 -1.17 -0.55 0.00 0.00 175.29 173.68 1ulj s LEU 144 N -0.23 0.32 -0.20 3.68 2.96 -1.26 -2.07 118.68 121.88 1ulj s LEU 144 Ca 0.51 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1ulj s LEU 144 Cb -0.30 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1ulj s LEU 144 CO 0.35 -0.34 -0.06 -1.81 -1.32 0.00 0.00 176.35 173.16 1ulj s ASP 145 N 2.15 4.29 -0.15 3.68 1.01 0.23 -5.00 116.67 122.88 1ulj s ASP 145 Ca 0.02 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1ulj s ASP 145 Cb -0.16 -1.72 -0.00 0.00 1.01 0.00 0.00 42.92 42.05 1ulj s ASP 145 CO -0.09 0.04 -0.15 -0.63 0.21 0.00 0.00 175.17 174.55 1ulj s ILE 146 N 1.14 2.68 0.24 0.77 1.01 -1.26 -1.35 121.20 124.43 1ulj s ILE 146 Ca 0.02 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1ulj s ILE 146 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1ulj s ILE 146 CO -0.01 0.51 -0.14 -0.36 0.00 0.00 0.00 174.94 174.94 1ulj s PHE 147 N 0.80 2.45 0.18 3.97 0.40 0.56 -4.99 117.98 121.34 1ulj s PHE 147 Ca -0.05 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 1ulj s PHE 147 Cb -0.15 -1.13 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 1ulj s PHE 147 CO 0.00 0.61 0.34 0.00 0.70 0.00 0.00 175.22 176.87 1ulj s ALA 148 N -2.13 -0.14 0.00 5.36 0.00 -1.26 -1.60 121.76 122.00 1ulj s ALA 148 Ca 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ulj s ALA 148 Cb -0.07 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ulj s ALA 148 CO 0.15 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1ulj n GLY 149 N -0.25 -0.86 3.43 0.00 0.00 -1.13 -1.52 105.19 104.86 1ulj n GLY 149 Ca -0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.92 1.77 -0.22 1.61 2.12 -0.55 -2.04 118.70 120.47 1ulj s GLU 150 Ca 0.00 -1.16 0.02 0.00 0.36 0.00 0.00 54.97 54.19 1ulj s GLU 150 Cb 0.00 -2.06 0.04 0.00 0.26 0.00 0.00 34.13 32.37 1ulj s GLU 150 CO 0.00 0.49 -0.16 1.03 -0.54 0.00 0.00 175.26 176.09 1ulj s ARG 151 N -1.77 2.62 -0.45 4.30 0.52 -0.01 -0.98 118.95 123.18 1ulj s ARG 151 Ca 0.15 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.13 1ulj s ARG 151 Cb -0.10 -2.70 0.04 0.00 0.52 0.00 0.00 34.95 32.71 1ulj s ARG 151 CO 0.06 -0.37 0.47 0.15 0.02 0.00 0.00 175.30 175.63 1ulj s LYS 152 N 1.21 3.08 0.25 3.54 1.02 -0.40 -2.39 119.74 126.05 1ulj s LYS 152 Ca -0.01 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1ulj s LYS 152 Cb -0.16 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.08 1ulj s LYS 152 CO -0.09 -0.96 0.07 -0.51 -0.92 0.00 0.00 175.35 172.93 1ulj s ASP 153 N 2.13 4.92 -0.24 2.83 1.01 -0.07 -1.32 116.67 125.92 1ulj s ASP 153 Ca 0.11 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1ulj s ASP 153 Cb -0.19 -1.06 0.04 0.00 1.01 0.00 0.00 42.92 42.72 1ulj s ASP 153 CO 0.12 0.00 -0.13 -0.63 0.21 0.00 0.00 175.17 174.74 1ulj s ILE 154 N -2.17 2.25 -0.06 0.77 1.01 -0.76 -1.50 121.20 120.74 1ulj s ILE 154 Ca 0.31 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1ulj s ILE 154 Cb -0.07 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1ulj s ILE 154 CO 0.21 0.16 0.20 -0.76 0.00 0.00 0.00 174.94 174.75 1ulj s LEU 155 N 1.19 4.39 -0.07 2.97 1.43 -0.78 -1.50 118.68 126.30 1ulj s LEU 155 Ca -0.04 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1ulj s LEU 155 Cb -0.18 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1ulj s LEU 155 CO -0.07 0.34 -0.18 -0.60 0.23 0.00 0.00 176.35 176.06 1ulj s ARG 156 N -1.41 2.20 0.65 1.70 3.52 -0.42 -1.31 118.95 123.88 1ulj s ARG 156 Ca 0.21 -0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 54.99 1ulj s ARG 156 Cb -0.13 -1.77 -0.01 0.00 -1.56 0.00 0.00 34.95 31.48 1ulj s ARG 156 CO 0.11 0.16 1.29 0.50 -0.81 0.00 0.00 175.30 176.55 1ulj s ARG 157 N 0.33 2.57 0.01 5.12 6.06 0.97 -0.43 118.95 133.57 1ulj s ARG 157 Ca -0.12 2.05 -0.28 0.00 -2.50 0.00 0.00 55.73 54.88 1ulj s ARG 157 Cb -0.15 -1.85 0.09 0.00 0.06 0.00 0.00 34.95 33.10 1ulj s ARG 157 CO 0.05 -1.58 0.76 0.99 -2.50 0.00 0.00 175.30 173.02 1ulj s THR 158 N -1.41 0.00 -1.50 4.11 2.01 -0.99 -4.75 115.64 113.11 1ulj s THR 158 Ca 0.82 0.00 0.29 0.00 0.31 0.00 0.00 61.69 63.11 1ulj s THR 158 Cb -0.37 -1.00 0.44 0.00 0.01 0.00 0.00 72.50 71.58 1ulj s THR 158 CO 0.39 0.00 1.90 0.61 -0.69 0.00 0.00 174.62 176.83 1ulj n GLY 159 N 0.21 -1.10 3.66 4.40 0.00 -1.26 -4.45 105.19 106.64 1ulj n GLY 159 Ca -0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.57 2.58 0.24 1.61 1.04 -1.26 -4.91 113.70 110.44 1ulj s SER 160 Ca 0.27 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 57.99 1ulj s SER 160 Cb 0.20 -2.03 0.33 0.00 0.10 0.00 0.00 66.02 64.62 1ulj s SER 160 CO 0.49 -3.18 1.86 -0.33 0.98 0.00 0.00 173.24 173.06 1ulj h GLU 161 N -1.92 0.98 -0.97 4.02 5.08 -1.99 -2.25 114.58 117.53 1ulj h GLU 161 Ca -0.54 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1ulj h GLU 161 Cb 1.32 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1ulj h GLU 161 CO 0.55 0.65 0.62 0.00 -1.00 0.00 0.00 179.01 179.83 1ulj h ALA 162 N 1.41 1.55 0.00 3.43 0.00 -1.94 -3.47 119.26 120.23 1ulj h ALA 162 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ulj h ALA 162 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ulj h ALA 162 CO -0.17 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1ulj n GLY 163 N -1.37 3.19 3.19 0.00 0.00 -0.85 -4.90 105.19 104.45 1ulj n GLY 163 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.71 0.56 -0.02 1.61 0.40 -1.26 -2.35 117.98 114.21 1ulj s PHE 164 Ca 0.00 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 1ulj s PHE 164 Cb 0.00 -0.30 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 1ulj s PHE 164 CO 0.00 -0.54 -0.20 -1.83 0.70 0.00 0.00 175.22 173.35 1ulj s GLU 165 N -3.97 1.70 -0.50 0.44 -1.05 0.43 -4.89 118.70 110.86 1ulj s GLU 165 Ca 0.16 -0.73 -0.28 0.00 -0.15 0.00 0.00 54.97 53.96 1ulj s GLU 165 Cb 0.06 -1.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.13 1ulj s GLU 165 CO -0.03 0.43 1.52 -1.17 0.95 0.00 0.00 175.26 176.96 1ulj s LEU 166 N -0.45 3.45 0.02 1.83 2.96 0.28 -1.30 118.68 125.48 1ulj s LEU 166 Ca 0.07 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.40 1ulj s LEU 166 Cb -0.08 -3.18 -0.35 0.00 0.50 0.00 0.00 46.19 43.08 1ulj s LEU 166 CO -0.01 -1.72 0.97 0.00 -1.32 0.00 0.00 176.35 174.27 1ulj h ALA 167 N 11.72 -0.12 -2.61 5.97 0.00 -1.57 -1.85 119.26 130.79 1ulj h ALA 167 Ca -0.28 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 53.62 1ulj h ALA 167 Cb 1.11 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.92 1ulj h ALA 167 CO 1.14 0.74 -0.40 0.21 0.00 0.00 0.00 179.25 180.94 1ulj s LYS 168 N -2.60 0.63 -0.24 0.00 2.20 -1.05 -2.37 119.74 116.31 1ulj s LYS 168 Ca -0.09 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 54.91 1ulj s LYS 168 Cb 0.04 0.26 0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1ulj s LYS 168 CO 0.94 -0.17 0.55 0.50 -0.36 0.00 0.00 175.35 176.80 1ulj s ARG 169 N -2.04 0.51 -0.23 4.03 3.52 -0.44 -1.82 118.95 122.49 1ulj s ARG 169 Ca -0.09 1.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1ulj s ARG 169 Cb -0.04 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1ulj s ARG 169 CO -0.01 -0.19 -0.13 0.99 -0.81 0.00 0.00 175.30 175.16 1ulj s THR 170 N 2.06 2.35 -0.36 4.11 2.01 -0.43 -0.64 115.64 124.73 1ulj s THR 170 Ca -0.07 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 1ulj s THR 170 Cb -0.09 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 1ulj s THR 170 CO -0.16 0.26 0.35 -0.63 -0.69 0.00 0.00 174.62 173.74 1ulj s ILE 171 N 1.24 5.19 -0.45 1.82 1.01 -0.36 -1.27 121.20 128.38 1ulj s ILE 171 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 1ulj s ILE 171 Cb -0.16 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.49 1ulj s ILE 171 CO -0.08 -0.16 0.46 -0.76 0.00 0.00 0.00 174.94 174.40 1ulj s LEU 172 N 1.95 5.05 -0.06 2.97 1.43 -0.15 -3.98 118.68 125.88 1ulj s LEU 172 Ca 0.10 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 1ulj s LEU 172 Cb -0.17 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1ulj s LEU 172 CO 0.12 -0.65 0.37 -0.51 0.23 0.00 0.00 176.35 175.91 1ulj s ILE 173 N 2.11 5.16 -1.20 -0.59 1.10 -1.26 -1.48 121.20 125.03 1ulj s ILE 173 Ca 0.11 0.73 -0.07 0.00 -0.51 0.00 0.00 60.65 60.91 1ulj s ILE 173 Cb -0.19 -3.68 -0.03 0.00 0.15 0.00 0.00 42.46 38.70 1ulj s ILE 173 CO 0.12 0.50 2.86 0.47 -2.11 0.00 0.00 174.94 176.78 1ulj n ASP 174 N 2.49 7.85 -3.79 4.50 8.00 -0.57 -4.79 116.55 130.25 1ulj n ASP 174 Ca -0.13 -2.80 -0.13 0.00 0.71 0.00 0.00 54.79 52.44 1ulj n ASP 174 Cb 0.52 -1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.58 0.46 0.00 -1.24 -0.21 -1.26 -4.84 119.66 113.15 1ulj s GLN 175 Ca 0.63 0.08 0.00 0.00 0.02 0.00 0.00 55.36 56.10 1ulj s GLN 175 Cb 0.22 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.44 1ulj s GLN 175 CO -0.08 -0.10 0.00 -1.13 -2.12 0.00 0.00 175.29 171.86 1ulj n SER 176 N 2.17 0.00 -4.70 5.90 3.41 -1.26 -4.46 113.62 114.68 1ulj n SER 176 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 1ulj n SER 176 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1ulj n SER 176 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ulj n THR 177 N 0.00 0.21 -2.28 6.66 -1.04 -1.26 -4.68 114.28 111.88 1ulj n THR 177 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1ulj n THR 177 Cb 0.00 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.48 1ulj n THR 177 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ulj s ILE 178 N 2.03 3.85 -1.25 12.58 -1.09 -1.26 -4.94 121.20 131.11 1ulj s ILE 178 Ca 0.80 1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 60.39 1ulj s ILE 178 Cb -0.52 -3.78 0.17 0.00 -1.58 0.00 0.00 42.46 36.75 1ulj s ILE 178 CO 0.36 -0.00 2.22 0.18 -1.23 0.00 0.00 174.94 176.47 1ulj n LEU 179 N 5.30 7.81 -3.58 2.97 4.77 -1.26 -4.84 117.00 128.17 1ulj n LEU 179 Ca 0.12 -5.00 -0.13 0.00 -0.03 0.00 0.00 56.01 50.98 1ulj n LEU 179 Cb 0.44 -1.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1ulj n LEU 179 CO 0.58 2.02 0.61 -0.55 -1.33 0.00 0.00 177.39 178.72 1ulj s SER 180 N -0.03 -0.53 0.55 -1.43 0.15 -1.26 -4.83 113.70 106.32 1ulj s SER 180 Ca 0.50 0.75 0.33 0.00 0.70 0.00 0.00 55.95 58.23 1ulj s SER 180 Cb 0.18 0.67 1.45 0.00 -1.71 0.00 0.00 66.02 66.61 1ulj s SER 180 CO -0.09 -0.37 2.02 -0.55 1.20 0.00 0.00 173.24 175.45 1ulj h ASN 181 N 3.40 0.00 -2.10 5.45 -0.00 -2.03 -3.46 115.58 116.84 1ulj h ASN 181 Ca -0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.04 1ulj h ASN 181 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.48 1ulj h ASN 181 CO 0.25 0.04 0.16 -0.46 -0.00 0.00 0.00 177.43 177.43 1ulj n ASN 182 N -3.18 -1.28 -3.21 6.14 0.23 -1.26 -5.08 115.26 107.61 1ulj n ASN 182 Ca -0.00 -1.88 -0.23 0.00 -0.53 0.00 0.00 54.58 51.93 1ulj n ASN 182 Cb 0.29 2.14 -0.06 0.00 -2.08 0.00 0.00 39.78 40.06 1ulj n ASN 182 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ulj n LEU 183 N 0.00 0.90 -0.81 -4.53 4.77 -1.26 -4.97 117.00 111.10 1ulj n LEU 183 Ca -0.05 -4.88 0.10 0.00 -0.03 0.00 0.00 56.01 51.15 1ulj n LEU 183 Cb 0.33 0.45 0.28 0.00 -2.33 0.00 0.00 43.42 42.15 1ulj n LEU 183 CO 0.15 2.12 0.73 -1.54 -1.33 0.00 0.00 177.39 177.52 1ulj n SER 184 N 1.06 2.41 -3.52 -1.43 3.41 -1.26 -4.88 113.62 109.42 1ulj n SER 184 Ca 0.23 -1.88 -0.18 0.00 -0.26 0.00 0.00 58.87 56.79 1ulj n SER 184 Cb 0.53 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.81 0.41 -5.16 7.33 1.16 -1.26 -4.89 117.46 115.86 1ulj n PHE 185 Ca 0.17 -1.39 -0.32 0.00 -1.87 0.00 0.00 57.45 54.04 1ulj n PHE 185 Cb 0.43 -0.20 -0.15 0.00 -1.61 0.00 0.00 39.48 37.94 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 -1.95 2.49 -2.29 2.97 0.08 -1.26 -5.23 117.98 112.79 1ulj s PHE 186 Ca 0.03 -0.46 0.30 0.00 0.12 0.00 0.00 56.93 56.91 1ulj s PHE 186 Cb -0.00 -1.58 1.42 0.00 -0.57 0.00 0.00 43.02 42.28 1ulj s PHE 186 CO 0.02 -0.04 1.95 1.19 -0.10 0.00 0.00 175.22 178.24