#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgm n ASP 6 N 0.00 3.95 0.02 1.61 2.03 -1.26 -4.73 116.55 118.18 1sgm n ASP 6 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1sgm n ASP 6 Cb 0.00 1.10 0.11 0.00 -0.72 0.00 0.00 41.12 41.62 1sgm n ASP 6 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1sgm h SER 7 N 0.00 0.51 -0.57 1.67 0.02 -2.00 -3.12 113.55 110.05 1sgm h SER 7 Ca -0.02 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1sgm h SER 7 Cb 0.39 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1sgm h SER 7 CO 0.00 0.90 0.35 -0.09 -1.14 0.00 0.00 176.83 176.86 1sgm h ARG 8 N 0.38 0.69 -0.66 3.45 2.43 -1.93 -2.33 114.38 116.41 1sgm h ARG 8 Ca 0.02 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sgm h ARG 8 Cb 0.96 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1sgm h ARG 8 CO 0.08 0.45 0.42 1.49 -1.51 0.00 0.00 179.97 180.90 1sgm h GLU 9 N 0.71 0.80 -0.72 0.20 4.57 -1.86 -0.16 114.58 118.11 1sgm h GLU 9 Ca 0.23 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1sgm h GLU 9 Cb 0.00 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 1sgm h GLU 9 CO -0.09 0.53 0.38 0.87 -1.18 0.00 0.00 179.01 179.52 1sgm h LYS 10 N 0.82 1.01 -0.06 1.92 6.56 -1.39 0.09 116.57 125.52 1sgm h LYS 10 Ca 0.26 -0.12 -0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1sgm h LYS 10 Cb -0.01 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1sgm h LYS 10 CO -0.09 0.75 -0.27 0.82 -2.06 0.00 0.00 179.45 178.60 1sgm h ILE 11 N 1.01 1.44 -0.81 1.86 2.04 -0.93 -2.05 117.51 120.07 1sgm h ILE 11 Ca 0.25 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1sgm h ILE 11 Cb 0.06 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1sgm h ILE 11 CO -0.04 0.48 0.41 0.25 0.00 0.00 0.00 178.15 179.26 1sgm h LEU 12 N -0.23 1.04 -0.32 1.44 5.85 -0.90 0.19 115.31 122.38 1sgm h LEU 12 Ca -0.02 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 1sgm h LEU 12 Cb 0.93 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1sgm h LEU 12 CO 0.06 0.86 -0.37 -0.74 -0.34 0.00 0.00 178.44 177.90 1sgm h HIS 13 N 1.15 0.98 -0.41 1.25 2.76 -1.03 -0.97 115.15 118.87 1sgm h HIS 13 Ca 0.28 -0.31 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 1sgm h HIS 13 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1sgm h HIS 13 CO 0.01 1.10 -0.27 1.15 -1.30 0.00 0.00 177.93 178.62 1sgm h THR 14 N 0.58 1.28 -0.45 6.26 2.02 -1.01 -1.51 112.91 120.07 1sgm h THR 14 Ca 0.04 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1sgm h THR 14 Cb 0.96 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1sgm h THR 14 CO 0.09 0.48 0.20 0.00 0.37 0.00 0.00 175.52 176.67 1sgm h ALA 15 N 0.81 0.58 -0.40 6.16 0.00 -0.60 -0.45 119.26 125.36 1sgm h ALA 15 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sgm h ALA 15 Cb 0.85 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sgm h ALA 15 CO 0.07 0.16 0.20 0.77 0.00 0.00 0.00 179.25 180.46 1sgm h SER 16 N 0.59 0.52 -0.42 0.00 0.02 -1.11 0.06 113.55 113.21 1sgm h SER 16 Ca 0.15 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1sgm h SER 16 Cb 0.15 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1sgm h SER 16 CO -0.02 0.49 0.16 -0.09 -1.14 0.00 0.00 176.83 176.24 1sgm h ARG 17 N 0.51 0.62 -0.13 3.45 2.43 -1.06 -2.30 114.38 117.91 1sgm h ARG 17 Ca 0.14 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1sgm h ARG 17 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1sgm h ARG 17 CO -0.02 0.58 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.59 1sgm h LEU 18 N 0.53 0.54 -1.26 3.80 3.38 -0.97 -2.40 115.31 118.93 1sgm h LEU 18 Ca 0.14 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1sgm h LEU 18 Cb 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1sgm h LEU 18 CO -0.01 1.04 0.51 0.28 0.09 0.00 0.00 178.44 180.35 1sgm h SER 19 N 0.07 0.84 -0.47 -0.43 0.02 -1.01 0.48 113.55 113.05 1sgm h SER 19 Ca -0.01 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1sgm h SER 19 Cb 0.98 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1sgm h SER 19 CO 0.08 0.60 -0.20 -0.61 -1.14 0.00 0.00 176.83 175.55 1sgm h GLN 20 N 0.99 0.98 0.15 3.45 4.15 -1.38 -0.37 115.11 123.08 1sgm h GLN 20 Ca 0.29 -0.41 -0.35 0.00 0.77 0.00 0.00 58.65 58.95 1sgm h GLN 20 Cb -0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1sgm h GLN 20 CO -0.08 1.08 -1.83 1.25 -1.93 0.00 0.00 178.83 177.33 1sgm h LEU 21 N 0.85 0.50 0.00 -2.39 5.85 -0.94 -2.50 115.31 116.69 1sgm h LEU 21 Ca 0.11 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 57.90 1sgm h LEU 21 Cb 0.78 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1sgm h LEU 21 CO 0.06 1.76 -1.93 0.00 -0.34 0.00 0.00 178.44 178.00 1sgm n GLN 22 N -3.52 0.67 0.00 1.25 6.02 0.16 -4.70 117.38 117.26 1sgm n GLN 22 Ca -0.27 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 1sgm n GLN 22 Cb 1.06 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1sgm n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgm n GLY 23 N 1.51 0.75 0.14 1.08 0.00 -0.15 -4.43 105.19 104.10 1sgm n GLY 23 Ca -0.08 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1sgm n GLY 23 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sgm h TYR 24 N 0.00 -0.23 -0.63 1.61 3.20 -1.88 -3.27 116.97 115.77 1sgm h TYR 24 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1sgm h TYR 24 Cb 0.00 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1sgm h TYR 24 CO 0.00 0.18 0.04 0.45 -1.64 0.00 0.00 178.16 177.19 1sgm h HIS 25 N -0.79 1.17 0.00 -3.82 3.86 -1.97 -3.04 115.15 110.56 1sgm h HIS 25 Ca -0.03 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1sgm h HIS 25 Cb 0.52 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1sgm h HIS 25 CO 0.07 1.01 0.00 0.00 0.86 0.00 0.00 177.93 179.87 1sgm h ALA 26 N 1.01 1.00 -2.02 2.45 0.00 -1.78 -3.42 119.26 116.50 1sgm h ALA 26 Ca 0.18 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.45 1sgm h ALA 26 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 1sgm h ALA 26 CO 0.02 0.00 0.27 0.99 0.00 0.00 0.00 179.25 180.53 1sgm s THR 27 N -3.33 4.68 0.29 0.00 2.01 -1.15 -5.02 115.64 113.12 1sgm s THR 27 Ca 0.05 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1sgm s THR 27 Cb 0.10 -4.35 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1sgm s THR 27 CO 0.45 -0.83 0.62 -0.83 -0.69 0.00 0.00 174.62 173.33 1sgm s GLY 28 N 2.48 2.15 0.56 4.40 0.00 -1.26 -4.98 107.32 110.67 1sgm s GLY 28 Ca 0.24 -0.27 0.34 0.00 0.00 0.00 0.00 44.72 45.03 1sgm s GLY 28 CO 0.17 -0.11 2.06 1.41 0.00 0.00 0.00 173.10 176.63 1sgm h LEU 29 N 2.11 0.00 -0.22 0.66 4.07 -1.98 -2.76 115.31 117.19 1sgm h LEU 29 Ca -0.47 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.27 1sgm h LEU 29 Cb 1.18 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.92 1sgm h LEU 29 CO 0.67 0.04 -0.82 0.78 -1.08 0.00 0.00 178.44 178.03 1sgm h ASN 30 N 0.00 0.75 -0.00 -0.43 2.35 -2.00 -2.66 115.58 113.59 1sgm h ASN 30 Ca -0.00 -0.52 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 1sgm h ASN 30 Cb 0.41 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1sgm h ASN 30 CO 0.01 1.30 -0.22 -0.61 -1.65 0.00 0.00 177.43 176.25 1sgm h GLN 31 N 0.40 0.38 -0.34 0.81 4.15 -1.90 -0.68 115.11 117.93 1sgm h GLN 31 Ca -0.06 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 1sgm h GLN 31 Cb 1.44 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1sgm h GLN 31 CO 0.16 0.59 -0.03 0.82 -1.93 0.00 0.00 178.83 178.43 1sgm h ILE 32 N 0.35 1.27 -0.09 2.39 2.04 -1.43 0.46 117.51 122.50 1sgm h ILE 32 Ca 0.06 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1sgm h ILE 32 Cb 0.59 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1sgm h ILE 32 CO 0.04 0.34 0.01 0.58 0.00 0.00 0.00 178.15 179.12 1sgm h VAL 33 N 0.43 1.24 -0.88 1.67 2.07 -1.31 0.09 116.25 119.55 1sgm h VAL 33 Ca 0.09 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 66.97 1sgm h VAL 33 Cb 0.51 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1sgm h VAL 33 CO 0.02 0.21 0.57 0.50 0.02 0.00 0.00 177.57 178.90 1sgm h LYS 34 N -0.12 0.82 0.00 1.57 3.64 -1.00 -2.97 116.57 118.51 1sgm h LYS 34 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sgm h LYS 34 Cb 0.32 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1sgm h LYS 34 CO 0.00 0.54 -1.48 0.39 -2.27 0.00 0.00 179.45 176.64 1sgm n GLU 35 N -4.53 0.44 0.13 1.90 1.02 0.14 -4.30 120.64 115.44 1sgm n GLU 35 Ca 0.15 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1sgm n GLU 35 Cb 0.33 -1.56 0.29 0.00 -0.02 0.00 0.00 31.44 30.48 1sgm n GLU 35 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sgm h SER 36 N 0.00 0.15 0.00 1.62 4.64 -0.81 -3.46 113.55 115.69 1sgm h SER 36 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1sgm h SER 36 Cb 0.84 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1sgm h SER 36 CO 0.00 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1sgm n GLY 37 N -0.37 1.53 3.86 -0.77 0.00 -1.23 -4.77 105.19 103.45 1sgm n GLY 37 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1sgm n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgm s ALA 38 N -3.08 3.56 -0.26 4.61 0.00 -1.26 -5.07 121.76 120.27 1sgm s ALA 38 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1sgm s ALA 38 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1sgm s ALA 38 CO 0.00 0.48 0.51 -1.25 0.00 0.00 0.00 175.76 175.50 1sgm s PRO 39 N -2.50 4.07 0.00 0.00 0.04 -1.26 -4.67 135.00 130.68 1sgm s PRO 39 Ca 0.44 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1sgm s PRO 39 Cb -0.13 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1sgm s PRO 39 CO 0.20 -0.34 0.00 1.17 0.04 0.00 0.00 177.00 178.07 1sgm n LYS 40 N 5.50 -1.52 0.03 4.56 4.81 -1.26 -4.70 118.16 125.57 1sgm n LYS 40 Ca -0.04 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.52 1sgm n LYS 40 Cb 0.50 -2.42 0.34 0.00 0.02 0.00 0.00 35.03 33.47 1sgm n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sgm n GLY 41 N -0.17 -1.40 0.14 3.14 0.00 -1.26 -4.20 105.19 101.43 1sgm n GLY 41 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1sgm n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sgm h SER 42 N 0.00 -0.49 0.60 1.61 0.87 -1.93 0.12 113.55 114.33 1sgm h SER 42 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1sgm h SER 42 Cb 0.58 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1sgm h SER 42 CO 0.00 -0.15 0.00 -0.07 -0.53 0.00 0.00 176.83 176.08 1sgm h LEU 43 N -0.18 0.00 0.19 2.23 3.38 -1.83 -1.55 115.31 117.54 1sgm h LEU 43 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1sgm h LEU 43 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sgm h LEU 43 CO -0.11 0.00 -0.09 0.22 0.09 0.00 0.00 178.44 178.55 1sgm h TYR 44 N 0.00 -0.23 0.00 1.13 3.20 -1.50 -3.11 116.97 116.45 1sgm h TYR 44 Ca 0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1sgm h TYR 44 Cb 0.30 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1sgm h TYR 44 CO 0.00 0.12 -0.59 0.45 -1.64 0.00 0.00 178.16 176.50 1sgm h HIS 45 N -0.96 0.00 -2.58 -3.82 3.86 -0.67 -3.25 115.15 107.73 1sgm h HIS 45 Ca -0.03 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.48 1sgm h HIS 45 Cb 0.45 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.57 1sgm h HIS 45 CO 0.07 0.59 0.07 1.19 0.86 0.00 0.00 177.93 180.70 1sgm n PHE 46 N -3.80 3.03 -0.10 2.45 3.01 -0.59 -5.00 117.46 116.45 1sgm n PHE 46 Ca -0.01 -3.43 -0.04 0.00 1.01 0.00 0.00 57.45 54.98 1sgm n PHE 46 Cb 0.59 -0.91 -0.01 0.00 -0.01 0.00 0.00 39.48 39.15 1sgm n PHE 46 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1sgm n PHE 47 N 1.12 0.08 0.00 1.38 3.72 -1.23 -4.36 117.46 118.18 1sgm n PHE 47 Ca 0.28 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.73 1sgm n PHE 47 Cb 0.37 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1sgm n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1sgm n PRO 48 N 0.61 0.00 0.00 -1.08 -0.02 -1.18 -4.46 135.00 128.87 1sgm n PRO 48 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1sgm n PRO 48 Cb -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1sgm n PRO 48 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sgm n ASN 49 N -0.10 0.00 0.00 2.55 4.13 -1.26 -4.84 115.26 115.74 1sgm n ASN 49 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1sgm n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1sgm n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sgm n GLY 50 N 0.00 0.53 0.23 7.41 0.00 -1.26 -4.71 105.19 107.38 1sgm n GLY 50 Ca 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 1sgm n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sgm h LYS 51 N 0.00 -0.03 -0.52 1.61 3.64 -1.96 -1.89 116.57 117.42 1sgm h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sgm h LYS 51 Cb 0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1sgm h LYS 51 CO 0.00 -0.02 0.30 1.49 -2.27 0.00 0.00 179.45 178.95 1sgm h GLU 52 N -0.03 0.72 -0.54 1.90 4.81 -1.98 0.31 114.58 119.77 1sgm h GLU 52 Ca 0.25 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1sgm h GLU 52 Cb 0.42 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1sgm h GLU 52 CO -0.56 0.55 0.25 1.49 -0.73 0.00 0.00 179.01 180.01 1sgm h GLU 53 N 0.70 0.78 -0.57 1.92 4.81 -1.81 0.18 114.58 120.60 1sgm h GLU 53 Ca 0.19 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1sgm h GLU 53 Cb 0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1sgm h GLU 53 CO -0.03 0.65 0.05 1.25 -0.73 0.00 0.00 179.01 180.20 1sgm h LEU 54 N 0.73 0.94 -0.95 1.64 5.85 -1.00 -2.99 115.31 119.54 1sgm h LEU 54 Ca 0.19 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1sgm h LEU 54 Cb 0.13 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1sgm h LEU 54 CO -0.02 0.99 0.59 0.00 -0.34 0.00 0.00 178.44 179.66 1sgm h ALA 55 N 0.99 1.20 -0.74 1.25 0.00 0.04 0.19 119.26 122.19 1sgm h ALA 55 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sgm h ALA 55 Cb 0.47 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1sgm h ALA 55 CO 0.02 0.64 0.40 0.82 0.00 0.00 0.00 179.25 181.13 1sgm h ILE 56 N 1.30 1.22 -0.03 0.00 2.04 -0.85 -0.36 117.51 120.82 1sgm h ILE 56 Ca 0.34 -0.56 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 1sgm h ILE 56 Cb -0.09 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1sgm h ILE 56 CO -0.07 0.25 -0.72 -0.33 0.00 0.00 0.00 178.15 177.28 1sgm h GLU 57 N 1.02 0.20 -0.48 2.37 4.39 -1.27 -2.42 114.58 118.39 1sgm h GLU 57 Ca 0.26 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1sgm h GLU 57 Cb 0.04 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1sgm h GLU 57 CO -0.04 0.83 -0.02 0.00 -1.16 0.00 0.00 179.01 178.62 1sgm h ALA 58 N 1.12 0.65 -0.66 3.43 0.00 -0.22 -0.11 119.26 123.47 1sgm h ALA 58 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1sgm h ALA 58 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1sgm h ALA 58 CO 0.11 0.47 0.11 0.28 0.00 0.00 0.00 179.25 180.22 1sgm h VAL 59 N 0.71 1.26 -0.65 0.00 2.07 -1.04 0.89 116.25 119.50 1sgm h VAL 59 Ca 0.13 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1sgm h VAL 59 Cb 0.54 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1sgm h VAL 59 CO 0.03 0.38 0.23 0.74 0.02 0.00 0.00 177.57 178.97 1sgm h THR 60 N 1.01 1.24 0.31 2.57 2.02 -1.25 0.35 112.91 119.16 1sgm h THR 60 Ca 0.20 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1sgm h THR 60 Cb 0.43 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1sgm h THR 60 CO 0.01 0.31 -0.15 0.22 0.37 0.00 0.00 175.52 176.29 1sgm h TYR 61 N 0.92 -0.39 -0.86 3.16 3.20 -0.64 -1.18 116.97 121.20 1sgm h TYR 61 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1sgm h TYR 61 Cb 0.26 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1sgm h TYR 61 CO 0.02 -0.19 0.54 1.15 -1.64 0.00 0.00 178.16 178.04 1sgm h THR 62 N -0.49 1.23 -0.42 1.81 2.02 -0.73 -2.37 112.91 113.96 1sgm h THR 62 Ca -0.04 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1sgm h THR 62 Cb 0.37 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 1sgm h THR 62 CO 0.07 0.23 0.10 1.23 0.37 0.00 0.00 175.52 177.53 1sgm h GLY 63 N 1.18 0.52 0.98 2.16 0.00 0.12 -1.96 103.07 106.08 1sgm h GLY 63 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1sgm h GLY 63 CO -0.06 -0.02 0.24 0.50 0.00 0.00 0.00 176.54 177.19 1sgm h LYS 64 N 0.25 0.81 -0.27 4.80 1.57 -0.71 -0.54 116.57 122.47 1sgm h LYS 64 Ca 0.20 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1sgm h LYS 64 Cb 0.24 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1sgm h LYS 64 CO -0.25 0.69 0.09 0.82 -0.57 0.00 0.00 179.45 180.24 1sgm h ILE 65 N 0.75 0.93 -0.46 1.86 2.04 -1.18 0.31 117.51 121.75 1sgm h ILE 65 Ca 0.19 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 1sgm h ILE 65 Cb 0.17 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1sgm h ILE 65 CO -0.02 0.04 -0.02 0.58 0.00 0.00 0.00 178.15 178.73 1sgm h VAL 66 N 0.22 1.26 -0.54 1.67 2.07 -1.24 -1.70 116.25 117.99 1sgm h VAL 66 Ca 0.12 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1sgm h VAL 66 Cb 0.08 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1sgm h VAL 66 CO -0.12 0.38 0.23 -0.08 0.02 0.00 0.00 177.57 177.99 1sgm h GLU 67 N 0.68 0.42 -0.31 1.57 4.81 -0.73 0.10 114.58 121.11 1sgm h GLU 67 Ca 0.13 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1sgm h GLU 67 Cb 0.53 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1sgm h GLU 67 CO 0.03 0.28 -0.02 0.45 -0.73 0.00 0.00 179.01 179.01 1sgm h HIS 68 N 0.43 0.51 -0.17 0.92 3.86 -0.75 -0.73 115.15 119.23 1sgm h HIS 68 Ca 0.26 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 1sgm h HIS 68 Cb 0.25 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1sgm h HIS 68 CO -0.14 0.52 -0.06 -0.07 0.86 0.00 0.00 177.93 179.04 1sgm h LEU 69 N 0.47 0.34 -0.39 2.43 -0.00 -0.24 0.85 115.31 118.77 1sgm h LEU 69 Ca 0.10 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1sgm h LEU 69 Cb 0.34 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1sgm h LEU 69 CO 0.01 0.65 0.25 0.40 -0.00 0.00 0.00 178.44 179.76 1sgm h ILE 70 N 0.03 1.11 -0.08 1.22 2.04 -0.83 -0.01 117.51 120.98 1sgm h ILE 70 Ca 0.04 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1sgm h ILE 70 Cb 0.51 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1sgm h ILE 70 CO 0.02 0.10 0.05 -0.61 0.00 0.00 0.00 178.15 177.71 1sgm h GLN 71 N 0.53 0.11 -0.90 2.37 5.75 -1.04 0.26 115.11 122.18 1sgm h GLN 71 Ca 0.14 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 1sgm h GLN 71 Cb -0.05 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 1sgm h GLN 71 CO -0.03 0.11 0.59 0.37 -2.65 0.00 0.00 178.83 177.22 1sgm h GLN 72 N 0.08 1.06 -0.51 1.69 -0.00 -0.60 -2.26 115.11 114.58 1sgm h GLN 72 Ca 0.03 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.53 1sgm h GLN 72 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 27.48 27.24 1sgm h GLN 72 CO -0.01 0.70 -0.04 0.77 0.00 0.00 0.00 178.83 180.26 1sgm h SER 73 N 1.10 0.86 0.33 -0.69 0.02 -0.24 -2.63 113.55 112.29 1sgm h SER 73 Ca 0.37 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1sgm h SER 73 Cb 0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1sgm h SER 73 CO -0.12 0.94 -0.22 0.24 -1.14 0.00 0.00 176.83 176.53 1sgm h MET 74 N 0.80 0.00 0.00 3.45 2.86 -0.40 -2.34 114.93 119.31 1sgm h MET 74 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1sgm h MET 74 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1sgm h MET 74 CO 0.03 0.22 0.00 -0.44 1.06 0.00 0.00 176.91 177.78 1sgm h ASP 75 N 0.00 0.00 0.53 1.22 3.32 -1.09 -3.28 116.42 117.12 1sgm h ASP 75 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sgm h ASP 75 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1sgm h ASP 75 CO 0.03 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.93 1sgm n GLU 76 N -2.54 0.13 -3.68 3.56 1.02 -0.88 -4.77 120.64 113.48 1sgm n GLU 76 Ca 0.04 0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 1sgm n GLU 76 Cb 0.42 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.25 1sgm n GLU 76 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sgm s SER 77 N -2.80 -0.53 0.26 1.62 0.15 -1.24 -5.00 113.70 106.16 1sgm s SER 77 Ca 0.14 0.92 0.05 0.00 0.70 0.00 0.00 55.95 57.76 1sgm s SER 77 Cb 0.13 0.94 0.35 0.00 -1.71 0.00 0.00 66.02 65.73 1sgm s SER 77 CO 0.33 -0.27 1.63 0.28 1.20 0.00 0.00 173.24 176.41 1sgm h SER 78 N 4.84 0.28 -3.33 5.45 0.02 -1.86 -3.42 113.55 115.53 1sgm h SER 78 Ca -0.28 -0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 59.96 1sgm h SER 78 Cb 1.17 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 1sgm h SER 78 CO 0.22 0.74 0.90 -0.62 -1.14 0.00 0.00 176.83 176.92 1sgm s ASP 79 N -6.88 6.81 0.16 3.07 3.68 -1.26 -4.94 116.67 117.30 1sgm s ASP 79 Ca -0.04 1.00 -0.18 0.00 2.13 0.00 0.00 52.55 55.46 1sgm s ASP 79 Cb 0.13 -2.54 0.07 0.00 -1.45 0.00 0.00 42.92 39.12 1sgm s ASP 79 CO 0.79 -1.00 1.67 -0.65 0.13 0.00 0.00 175.17 176.10 1sgm h PRO 80 N 8.62 -0.04 -0.20 4.34 0.11 -1.92 0.34 132.00 143.25 1sgm h PRO 80 Ca -0.22 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.94 1sgm h PRO 80 Cb 1.07 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1sgm h PRO 80 CO 1.05 -0.02 -0.18 0.28 -0.21 0.00 0.00 178.00 178.92 1sgm h VAL 81 N -0.04 0.52 -0.86 3.15 2.07 -1.92 0.62 116.25 119.79 1sgm h VAL 81 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1sgm h VAL 81 Cb 0.30 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1sgm h VAL 81 CO -0.38 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 177.57 1sgm h GLU 82 N -0.19 1.21 -0.57 1.57 4.81 -1.82 -1.69 114.58 117.90 1sgm h GLU 82 Ca 0.12 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1sgm h GLU 82 Cb 0.37 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1sgm h GLU 82 CO -0.32 0.90 0.12 0.00 -0.73 0.00 0.00 179.01 178.98 1sgm h ALA 83 N 1.28 0.75 -0.58 2.92 0.00 -0.18 -1.57 119.26 121.88 1sgm h ALA 83 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sgm h ALA 83 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1sgm h ALA 83 CO -0.04 0.48 0.22 0.82 0.00 0.00 0.00 179.25 180.72 1sgm h ILE 84 N 0.83 1.23 -0.60 0.00 2.04 -0.60 -2.28 117.51 118.14 1sgm h ILE 84 Ca 0.18 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1sgm h ILE 84 Cb 0.38 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1sgm h ILE 84 CO 0.01 0.28 0.30 1.56 0.00 0.00 0.00 178.15 180.30 1sgm h GLN 85 N 0.81 0.85 -0.93 2.37 4.20 -1.11 -1.62 115.11 119.68 1sgm h GLN 85 Ca 0.19 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1sgm h GLN 85 Cb 0.23 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1sgm h GLN 85 CO -0.01 0.68 0.59 -0.07 -0.67 0.00 0.00 178.83 179.34 1sgm h LEU 86 N 0.82 0.91 -0.37 1.46 3.38 -1.02 0.48 115.31 120.97 1sgm h LEU 86 Ca 0.21 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1sgm h LEU 86 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sgm h LEU 86 CO -0.03 0.56 0.00 0.15 0.09 0.00 0.00 178.44 179.22 1sgm h PHE 87 N 1.04 0.71 -0.70 1.13 3.57 -0.92 -0.60 116.94 121.17 1sgm h PHE 87 Ca 0.42 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1sgm h PHE 87 Cb 0.23 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1sgm h PHE 87 CO -0.02 0.75 0.25 0.82 -2.23 0.00 0.00 178.31 177.88 1sgm h ILE 88 N 0.47 1.25 -0.45 1.41 2.04 -0.35 -0.68 117.51 121.20 1sgm h ILE 88 Ca 0.11 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 1sgm h ILE 88 Cb 0.46 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1sgm h ILE 88 CO 0.02 0.33 0.01 0.11 0.00 0.00 0.00 178.15 178.62 1sgm h LYS 89 N 1.01 0.74 -0.32 2.37 1.57 0.12 -0.14 116.57 121.93 1sgm h LYS 89 Ca 0.23 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1sgm h LYS 89 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1sgm h LYS 89 CO -0.01 0.74 -0.09 0.87 -0.57 0.00 0.00 179.45 180.38 1sgm h LYS 90 N 0.69 0.63 -0.69 3.15 1.57 -0.65 -2.43 116.57 118.84 1sgm h LYS 90 Ca 0.14 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1sgm h LYS 90 Cb 0.41 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1sgm h LYS 90 CO 0.02 0.81 0.40 1.79 -0.57 0.00 0.00 179.45 181.90 1sgm h THR 91 N 0.40 1.20 0.00 -0.16 1.35 -0.78 -2.73 112.91 112.18 1sgm h THR 91 Ca 0.08 -0.46 -0.08 0.00 -0.55 0.00 0.00 66.41 65.40 1sgm h THR 91 Cb 0.59 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1sgm h THR 91 CO 0.03 0.21 -0.37 0.00 -0.25 0.00 0.00 175.52 175.15 1sgm h ALA 92 N 1.49 1.20 0.00 6.62 0.00 -0.77 -3.13 119.26 124.67 1sgm h ALA 92 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sgm h ALA 92 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sgm h ALA 92 CO -0.04 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.33 1sgm h SER 93 N 0.00 0.00 0.19 0.00 4.64 -1.11 -2.68 113.55 114.60 1sgm h SER 93 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sgm h SER 93 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1sgm h SER 93 CO 0.05 0.00 -0.00 0.06 -0.87 0.00 0.00 176.83 176.07 1sgm h GLN 94 N 0.00 0.00 0.00 4.77 3.07 -1.65 -2.20 115.11 119.09 1sgm h GLN 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1sgm h GLN 94 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1sgm h GLN 94 CO 0.00 0.00 -0.64 1.19 0.09 0.00 0.00 178.83 179.48 1sgm n PHE 95 N -3.12 0.05 0.13 0.06 3.01 -1.01 -2.97 117.46 113.62 1sgm n PHE 95 Ca -0.02 0.02 0.17 0.00 1.01 0.00 0.00 57.45 58.62 1sgm n PHE 95 Cb 0.12 -0.25 0.73 0.00 -0.01 0.00 0.00 39.48 40.07 1sgm n PHE 95 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1sgm h ASP 96 N 0.00 0.00 -3.37 4.37 3.04 -1.56 -3.39 116.42 115.51 1sgm h ASP 96 Ca 0.00 0.00 -0.43 0.00 -3.24 0.00 0.00 57.03 53.36 1sgm h ASP 96 Cb 0.53 0.00 -0.36 0.00 -1.04 0.00 0.00 39.33 38.47 1sgm h ASP 96 CO 0.00 0.00 -0.77 0.20 -2.04 0.00 0.00 179.24 176.63 1sgm s ASN 97 N -6.23 1.25 0.55 4.15 0.02 -1.26 -5.02 114.94 108.41 1sgm s ASN 97 Ca -0.05 -0.12 0.30 0.00 -1.02 0.00 0.00 52.86 51.97 1sgm s ASN 97 Cb 0.18 -0.47 1.46 0.00 0.02 0.00 0.00 41.25 42.44 1sgm s ASN 97 CO 0.65 -0.11 1.90 0.00 0.02 0.00 0.00 177.10 179.56 1sgm h THR 98 N 6.21 0.51 -0.27 1.60 1.03 -1.85 -0.52 112.91 119.63 1sgm h THR 98 Ca -0.31 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 65.97 1sgm h THR 98 Cb 1.14 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.80 1sgm h THR 98 CO 0.39 0.00 -0.34 -0.08 -0.01 0.00 0.00 175.52 175.48 1sgm h GLU 99 N 0.00 0.58 -0.21 0.00 4.81 -1.95 -2.96 114.58 114.84 1sgm h GLU 99 Ca 0.34 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1sgm h GLU 99 Cb 1.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1sgm h GLU 99 CO -0.00 0.84 0.00 -1.13 -0.73 0.00 0.00 179.01 177.99 1sgm n SER 100 N -4.06 1.44 -4.70 1.04 3.41 -0.21 -4.92 113.62 105.62 1sgm n SER 100 Ca -0.01 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 1sgm n SER 100 Cb 0.48 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1sgm n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sgm s ILE 101 N -1.72 3.71 0.08 -1.33 1.01 -1.12 -4.75 121.20 117.08 1sgm s ILE 101 Ca 0.25 1.17 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1sgm s ILE 101 Cb 0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1sgm s ILE 101 CO 0.19 0.05 -0.09 -1.59 0.00 0.00 0.00 174.94 173.49 1sgm s LYS 102 N 1.68 2.23 0.00 2.79 -2.85 -1.26 -5.04 119.74 117.30 1sgm s LYS 102 Ca 0.62 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1sgm s LYS 102 Cb -0.32 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.10 1sgm s LYS 102 CO 0.28 0.53 0.00 0.41 0.10 0.00 0.00 175.35 176.67 1sgm n GLY 103 N 0.94 -1.13 3.03 0.59 0.00 -1.22 -4.91 105.19 102.50 1sgm n GLY 103 Ca -0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1sgm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgm s ILE 104 N 0.00 3.26 0.02 -0.61 1.01 -0.94 -4.95 121.20 118.98 1sgm s ILE 104 Ca 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 60.65 57.47 1sgm s ILE 104 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1sgm s ILE 104 CO 0.00 -0.85 0.13 -0.81 0.00 0.00 0.00 174.94 173.41 1sgm n PRO 105 N 3.28 -0.03 -0.02 2.79 -0.04 -1.26 -2.67 135.00 137.04 1sgm n PRO 105 Ca 0.07 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 1sgm n PRO 105 Cb 0.35 -0.19 -0.02 0.00 -0.04 0.00 0.00 33.50 33.60 1sgm n PRO 105 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sgm n VAL 106 N -4.11 0.26 -0.33 0.52 0.31 -1.26 -4.41 118.33 109.29 1sgm n VAL 106 Ca 0.00 -0.09 0.18 0.00 -0.01 0.00 0.00 64.34 64.42 1sgm n VAL 106 Cb 0.03 -0.92 0.39 0.00 -0.91 0.00 0.00 33.84 32.43 1sgm n VAL 106 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sgm h GLY 107 N 0.19 1.86 0.82 2.92 0.00 -1.97 -0.86 103.07 106.04 1sgm h GLY 107 Ca -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1sgm h GLY 107 CO -0.03 -0.30 -0.19 -2.00 0.00 0.00 0.00 176.54 174.02 1sgm h LEU 108 N 0.49 -0.45 -1.50 3.11 5.85 -1.82 -1.51 115.31 119.48 1sgm h LEU 108 Ca 0.65 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1sgm h LEU 108 Cb 1.28 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1sgm h LEU 108 CO -0.52 -0.18 0.31 0.25 -0.34 0.00 0.00 178.44 177.97 1sgm h LEU 109 N -0.72 0.57 -0.54 2.25 6.46 -1.69 -2.06 115.31 119.59 1sgm h LEU 109 Ca -0.05 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.56 1sgm h LEU 109 Cb 0.50 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1sgm h LEU 109 CO 0.09 0.42 -0.23 0.00 -0.62 0.00 0.00 178.44 178.10 1sgm h ALA 110 N 1.68 0.73 0.00 1.25 0.00 -1.06 -1.61 119.26 120.25 1sgm h ALA 110 Ca 0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1sgm h ALA 110 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1sgm h ALA 110 CO -0.04 0.67 -0.44 0.77 0.00 0.00 0.00 179.25 180.21 1sgm h SER 111 N 0.81 0.00 0.73 0.00 0.02 -0.86 -0.07 113.55 114.18 1sgm h SER 111 Ca 0.10 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.79 1sgm h SER 111 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1sgm h SER 111 CO 0.07 0.44 -1.20 -0.33 -1.14 0.00 0.00 176.83 174.67 1sgm h GLU 112 N 0.00 0.18 -0.00 3.45 5.08 -1.16 -3.38 114.58 118.76 1sgm h GLU 112 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1sgm h GLU 112 Cb 0.89 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1sgm h GLU 112 CO 0.06 1.13 -0.67 0.25 -1.00 0.00 0.00 179.01 178.78 1sgm n THR 113 N -3.46 0.00 -0.21 1.13 -2.24 -0.62 -4.70 114.28 104.18 1sgm n THR 113 Ca -0.07 -0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 1sgm n THR 113 Cb 1.00 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 70.25 1sgm n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgm h ALA 114 N 2.26 -0.15 0.00 6.98 0.00 -1.18 -0.77 119.26 126.40 1sgm h ALA 114 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sgm h ALA 114 Cb 0.39 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sgm h ALA 114 CO 0.00 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.80 1sgm n LEU 115 N -5.42 0.00 0.00 0.00 7.99 -1.26 -4.71 117.00 113.60 1sgm n LEU 115 Ca 0.03 0.45 -0.17 0.00 -0.01 0.00 0.00 56.01 56.31 1sgm n LEU 115 Cb 0.35 -0.45 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 1sgm n LEU 115 CO -0.01 -0.09 -0.12 2.30 -1.51 0.00 0.00 177.39 177.96 1sgm n ILE 116 N -1.45 0.00 -0.86 -0.08 -5.35 -0.30 -4.98 119.36 106.35 1sgm n ILE 116 Ca 0.07 -1.27 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1sgm n ILE 116 Cb 0.25 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1sgm n ILE 116 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1sgm n SER 117 N -1.22 -1.73 0.18 7.28 2.88 -1.25 -4.72 113.62 115.05 1sgm n SER 117 Ca -0.11 0.19 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1sgm n SER 117 Cb 0.34 -0.37 0.35 0.00 -0.75 0.00 0.00 64.21 63.78 1sgm n SER 117 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1sgm h GLU 118 N 2.38 0.00 -0.24 -1.46 4.39 -1.85 -2.49 114.58 115.30 1sgm h GLU 118 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sgm h GLU 118 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1sgm h GLU 118 CO 0.00 0.39 0.15 -1.35 -1.16 0.00 0.00 179.01 177.04 1sgm h PRO 119 N 0.00 0.33 -0.29 2.33 0.11 -1.96 0.87 132.00 133.38 1sgm h PRO 119 Ca -0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1sgm h PRO 119 Cb 0.68 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1sgm h PRO 119 CO 0.05 0.25 0.10 -0.07 -0.21 0.00 0.00 178.00 178.12 1sgm h LEU 120 N 0.31 0.42 -1.03 2.35 -0.00 -1.87 -1.98 115.31 113.50 1sgm h LEU 120 Ca 0.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1sgm h LEU 120 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 1sgm h LEU 120 CO -0.02 0.50 0.41 -0.09 -0.00 0.00 0.00 178.44 179.24 1sgm h ARG 121 N 0.31 1.09 -0.14 1.13 2.43 -1.29 -1.99 114.38 115.92 1sgm h ARG 121 Ca 0.09 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1sgm h ARG 121 Cb 0.23 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1sgm h ARG 121 CO -0.00 0.81 0.07 1.15 -1.51 0.00 0.00 179.97 180.49 1sgm h THR 122 N 1.09 1.11 -0.44 0.20 2.02 -0.62 -0.09 112.91 116.19 1sgm h THR 122 Ca 0.27 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1sgm h THR 122 Cb 0.05 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1sgm h THR 122 CO -0.04 0.10 -0.01 0.58 0.37 0.00 0.00 175.52 176.52 1sgm h VAL 123 N 0.12 1.23 -0.51 3.16 2.07 -1.17 -1.68 116.25 119.47 1sgm h VAL 123 Ca 0.05 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1sgm h VAL 123 Cb 0.10 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1sgm h VAL 123 CO -0.01 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.74 1sgm h MET 125 N 0.89 0.88 -0.40 0.00 -1.53 -0.67 -1.15 114.93 112.95 1sgm h MET 125 Ca 0.12 -0.09 -0.07 0.00 -3.44 0.00 0.00 59.70 56.22 1sgm h MET 125 Cb 0.76 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.61 1sgm h MET 125 CO 0.06 0.65 -0.02 0.87 0.14 0.00 0.00 176.91 178.60 1sgm h LYS 126 N 0.87 0.72 -0.30 0.39 1.57 -1.20 -1.84 116.57 116.78 1sgm h LYS 126 Ca 0.23 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sgm h LYS 126 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1sgm h LYS 126 CO -0.04 0.82 0.17 0.28 -0.57 0.00 0.00 179.45 180.11 1sgm h VAL 127 N 0.55 1.13 -0.74 0.50 2.07 -0.86 -0.98 116.25 117.91 1sgm h VAL 127 Ca 0.11 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1sgm h VAL 127 Cb 0.51 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1sgm h VAL 127 CO 0.03 0.13 0.47 -0.26 0.02 0.00 0.00 177.57 177.95 1sgm h PHE 128 N 0.37 0.87 -0.87 1.57 0.05 -1.14 -1.30 116.94 116.49 1sgm h PHE 128 Ca 0.11 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.95 1sgm h PHE 128 Cb 0.05 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 37.67 1sgm h PHE 128 CO -0.03 0.49 0.56 0.87 -0.18 0.00 0.00 178.31 180.02 1sgm h LYS 129 N 0.90 1.08 -0.52 1.51 1.79 -0.94 -0.03 116.57 120.36 1sgm h LYS 129 Ca 0.30 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1sgm h LYS 129 Cb 0.04 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 1sgm h LYS 129 CO -0.12 0.71 0.22 0.66 -1.08 0.00 0.00 179.45 179.84 1sgm h SER 130 N 1.11 0.67 -0.10 0.86 4.64 -0.07 0.77 113.55 121.44 1sgm h SER 130 Ca 0.34 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 1sgm h SER 130 Cb -0.03 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1sgm h SER 130 CO -0.10 0.60 -0.09 -0.50 -0.87 0.00 0.00 176.83 175.86 1sgm h TRP 131 N 0.74 0.29 -0.77 4.77 6.55 -0.60 -2.90 115.95 124.04 1sgm h TRP 131 Ca 0.18 -0.08 0.04 0.00 0.95 0.00 0.00 58.89 59.98 1sgm h TRP 131 Cb 0.13 -0.06 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 1sgm h TRP 131 CO 0.01 0.66 0.50 0.93 -1.05 0.00 0.00 178.44 179.49 1sgm h GLU 132 N -0.17 0.88 -0.33 0.49 5.08 -0.72 -1.62 114.58 118.20 1sgm h GLU 132 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1sgm h GLU 132 Cb 0.61 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1sgm h GLU 132 CO 0.02 0.58 0.12 0.00 -1.00 0.00 0.00 179.01 178.74 1sgm h ALA 133 N 1.56 1.60 -0.38 3.43 0.00 -0.68 -0.43 119.26 124.35 1sgm h ALA 133 Ca 0.31 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1sgm h ALA 133 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sgm h ALA 133 CO -0.10 0.32 0.06 0.28 0.00 0.00 0.00 179.25 179.81 1sgm h VAL 134 N 0.47 1.24 -0.35 0.00 2.07 -1.10 0.72 116.25 119.30 1sgm h VAL 134 Ca 0.12 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1sgm h VAL 134 Cb 0.11 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1sgm h VAL 134 CO -0.01 0.29 0.13 -0.26 0.02 0.00 0.00 177.57 177.74 1sgm h PHE 135 N 0.48 0.55 -0.42 1.57 0.05 -1.31 -2.75 116.94 115.11 1sgm h PHE 135 Ca 0.12 -0.05 0.03 0.00 3.82 0.00 0.00 57.97 61.89 1sgm h PHE 135 Cb 0.37 -0.16 -0.04 0.00 2.00 0.00 0.00 35.95 38.12 1sgm h PHE 135 CO 0.02 0.52 0.20 0.00 -0.18 0.00 0.00 178.31 178.88 1sgm h ALA 136 N 0.97 0.52 -0.57 2.45 0.00 -0.88 -1.84 119.26 119.90 1sgm h ALA 136 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1sgm h ALA 136 Cb 0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1sgm h ALA 136 CO -0.01 -0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.36 1sgm h ARG 137 N 0.41 0.50 -0.64 0.00 3.08 -0.71 0.23 114.38 117.25 1sgm h ARG 137 Ca 0.18 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1sgm h ARG 137 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1sgm h ARG 137 CO -0.13 0.33 0.42 -0.22 -1.07 0.00 0.00 179.97 179.30 1sgm h LYS 138 N 0.51 0.84 -0.34 0.04 1.63 -1.16 -0.12 116.57 117.98 1sgm h LYS 138 Ca 0.27 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1sgm h LYS 138 Cb 0.22 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1sgm h LYS 138 CO -0.21 0.56 0.03 -0.07 -3.45 0.00 0.00 179.45 176.31 1sgm h LEU 139 N 0.87 0.56 -0.71 5.20 3.38 -0.55 -2.49 115.31 121.56 1sgm h LEU 139 Ca 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sgm h LEU 139 Cb -0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1sgm h LEU 139 CO -0.05 0.70 0.45 0.24 0.09 0.00 0.00 178.44 179.88 1sgm h MET 140 N 0.39 0.95 0.00 1.13 2.86 -0.27 -0.57 114.93 119.43 1sgm h MET 140 Ca 0.10 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sgm h MET 140 Cb 0.40 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1sgm h MET 140 CO 0.01 0.65 -0.01 0.93 1.06 0.00 0.00 176.91 179.55 1sgm h GLU 141 N 0.97 0.00 -0.58 1.72 5.08 -0.87 -2.32 114.58 118.57 1sgm h GLU 141 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1sgm h GLU 141 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1sgm h GLU 141 CO -0.05 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.06 1sgm n ASN 142 N -3.15 4.58 0.00 1.42 3.02 -0.34 -4.95 115.26 115.85 1sgm n ASN 142 Ca -0.02 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1sgm n ASN 142 Cb 0.16 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1sgm n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgm n GLY 143 N 0.87 2.34 3.77 7.41 0.00 -0.87 -5.05 105.19 113.66 1sgm n GLY 143 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1sgm n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgm s PHE 144 N -2.45 2.87 0.61 1.61 0.40 -0.52 -4.98 117.98 115.54 1sgm s PHE 144 Ca 0.00 1.52 -0.16 0.00 -0.60 0.00 0.00 56.93 57.69 1sgm s PHE 144 Cb 0.00 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.08 1sgm s PHE 144 CO 0.00 -1.60 1.09 0.00 0.70 0.00 0.00 175.22 175.42 1sgm s ALA 145 N -1.48 2.61 0.15 5.36 0.00 -1.26 -4.17 121.76 122.97 1sgm s ALA 145 Ca 0.62 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 1sgm s ALA 145 Cb -0.30 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1sgm s ALA 145 CO 0.37 -1.00 1.64 1.49 0.00 0.00 0.00 175.76 178.27 1sgm h GLU 146 N 0.42 -0.21 0.08 0.00 4.81 -1.97 0.17 114.58 117.88 1sgm h GLU 146 Ca -0.47 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1sgm h GLU 146 Cb 1.24 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1sgm h GLU 146 CO 0.56 -0.14 -0.28 0.93 -0.73 0.00 0.00 179.01 179.35 1sgm h GLU 147 N -0.22 -0.46 -0.85 1.92 5.08 -1.99 -0.90 114.58 117.17 1sgm h GLU 147 Ca 0.13 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sgm h GLU 147 Cb 0.41 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1sgm h GLU 147 CO -0.35 -0.31 0.54 0.93 -1.00 0.00 0.00 179.01 178.82 1sgm h GLU 148 N -0.48 1.14 -0.07 2.33 5.08 -1.91 -0.71 114.58 119.97 1sgm h GLU 148 Ca 0.04 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sgm h GLU 148 Cb 0.52 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sgm h GLU 148 CO -0.19 0.78 0.04 0.00 -1.00 0.00 0.00 179.01 178.63 1sgm h ALA 149 N 1.29 0.09 -0.58 3.43 0.00 -0.65 0.10 119.26 122.94 1sgm h ALA 149 Ca 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1sgm h ALA 149 Cb -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sgm h ALA 149 CO -0.06 -0.36 0.16 -0.91 0.00 0.00 0.00 179.25 178.08 1sgm h ASN 150 N 0.00 0.82 -0.36 0.00 -0.26 -0.99 0.19 115.58 114.98 1sgm h ASN 150 Ca 0.02 -0.14 -0.11 0.00 -0.56 0.00 0.00 56.30 55.52 1sgm h ASN 150 Cb 0.10 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1sgm h ASN 150 CO -0.00 0.78 -0.20 1.56 -1.06 0.00 0.00 177.43 178.51 1sgm h GLN 151 N 0.85 0.76 0.00 0.81 4.20 -0.91 -1.34 115.11 119.48 1sgm h GLN 151 Ca 0.19 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1sgm h GLN 151 Cb 0.27 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sgm h GLN 151 CO -0.01 0.96 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.72 1sgm h LEU 152 N 0.55 0.00 -0.25 1.46 3.38 -0.48 0.40 115.31 120.36 1sgm h LEU 152 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1sgm h LEU 152 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1sgm h LEU 152 CO 0.06 0.33 0.05 1.23 0.09 0.00 0.00 178.44 180.20 1sgm h GLY 153 N 0.98 0.44 1.00 0.83 0.00 -0.18 0.25 103.07 106.39 1sgm h GLY 153 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1sgm h GLY 153 CO 0.04 0.26 -0.15 0.00 0.00 0.00 0.00 176.54 176.69 1sgm h THR 154 N 0.23 1.28 0.26 4.70 1.03 -0.91 -1.40 112.91 118.10 1sgm h THR 154 Ca 0.08 -1.27 -0.00 0.00 -0.01 0.00 0.00 66.41 65.20 1sgm h THR 154 Cb 0.30 1.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 1sgm h THR 154 CO 0.00 0.43 -0.20 0.25 -0.01 0.00 0.00 175.52 175.99 1sgm h LEU 155 N 0.61 -0.52 -0.47 0.00 5.85 -0.77 0.61 115.31 120.63 1sgm h LEU 155 Ca 0.09 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1sgm h LEU 155 Cb 0.69 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1sgm h LEU 155 CO 0.05 -0.31 0.21 0.40 -0.34 0.00 0.00 178.44 178.45 1sgm h ILE 156 N -0.47 0.92 -0.40 4.05 2.04 -0.48 -0.24 117.51 122.94 1sgm h ILE 156 Ca -0.02 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1sgm h ILE 156 Cb 0.41 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1sgm h ILE 156 CO -0.01 0.08 0.22 -1.13 0.00 0.00 0.00 178.15 177.30 1sgm h ASN 157 N 0.42 0.34 -0.75 1.72 -0.00 -1.02 -1.43 115.58 114.85 1sgm h ASN 157 Ca 0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.51 1sgm h ASN 157 Cb 0.16 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.38 1sgm h ASN 157 CO -0.17 0.24 0.41 0.77 -0.00 0.00 0.00 177.43 178.68 1sgm h SER 158 N 0.44 0.94 -0.65 1.15 4.64 -0.11 -1.53 113.55 118.44 1sgm h SER 158 Ca 0.16 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1sgm h SER 158 Cb 0.04 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1sgm h SER 158 CO -0.09 0.77 0.15 0.24 -0.87 0.00 0.00 176.83 177.03 1sgm h MET 159 N 1.04 1.04 -0.52 4.77 2.86 -0.70 -2.20 114.93 121.22 1sgm h MET 159 Ca 0.26 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1sgm h MET 159 Cb 0.04 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1sgm h MET 159 CO -0.04 0.94 -0.03 0.82 1.06 0.00 0.00 176.91 179.65 1sgm h ILE 160 N 0.96 1.27 -0.71 -1.22 2.04 -1.02 0.21 117.51 119.04 1sgm h ILE 160 Ca 0.20 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1sgm h ILE 160 Cb 0.37 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1sgm h ILE 160 CO 0.00 0.40 0.43 -0.08 0.00 0.00 0.00 178.15 178.90 1sgm h GLU 161 N 0.80 0.96 -0.44 2.37 4.57 -1.13 -0.03 114.58 121.68 1sgm h GLU 161 Ca 0.14 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1sgm h GLU 161 Cb 0.57 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1sgm h GLU 161 CO 0.03 0.68 -0.22 0.78 -1.18 0.00 0.00 179.01 179.11 1sgm h GLY 162 N 0.97 0.96 1.21 1.92 0.00 -1.18 -2.08 103.07 104.87 1sgm h GLY 162 Ca 0.25 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1sgm h GLY 162 CO -0.05 0.76 0.23 -1.33 0.00 0.00 0.00 176.54 176.15 1sgm h GLY 163 N 0.92 1.07 1.05 4.60 0.00 -0.41 -1.55 103.07 108.76 1sgm h GLY 163 Ca 0.10 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1sgm h GLY 163 CO 0.06 0.56 -0.06 -2.22 0.00 0.00 0.00 176.54 174.88 1sgm h ILE 164 N 0.97 1.27 0.21 2.60 2.04 -0.85 0.77 117.51 124.52 1sgm h ILE 164 Ca 0.22 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1sgm h ILE 164 Cb 0.25 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1sgm h ILE 164 CO -0.01 0.42 -0.32 0.24 0.00 0.00 0.00 178.15 178.47 1sgm h MET 165 N 0.83 -0.59 -0.61 2.37 2.86 -0.90 0.21 114.93 119.10 1sgm h MET 165 Ca 0.14 0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1sgm h MET 165 Cb 0.60 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1sgm h MET 165 CO 0.04 -0.39 0.04 -0.07 1.06 0.00 0.00 176.91 177.58 1sgm h LEU 166 N -0.61 1.02 -1.15 1.22 -0.00 -1.25 -2.10 115.31 112.44 1sgm h LEU 166 Ca 0.01 -0.27 -0.06 0.00 -0.00 0.00 0.00 57.88 57.56 1sgm h LEU 166 Cb 0.60 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1sgm h LEU 166 CO -0.13 1.05 -0.04 0.28 -0.00 0.00 0.00 178.44 179.59 1sgm h SER 167 N 0.97 0.52 -0.22 -0.43 0.02 -0.54 -1.43 113.55 112.43 1sgm h SER 167 Ca 0.18 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1sgm h SER 167 Cb 0.51 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1sgm h SER 167 CO 0.02 0.62 -0.19 0.25 -1.14 0.00 0.00 176.83 176.39 1sgm h LEU 168 N 0.51 0.55 -1.39 5.07 5.85 -0.34 0.17 115.31 125.74 1sgm h LEU 168 Ca 0.10 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1sgm h LEU 168 Cb 0.40 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1sgm h LEU 168 CO 0.02 0.90 0.00 0.74 -0.34 0.00 0.00 178.44 179.76 1sgm h THR 169 N 0.20 1.17 -0.01 1.05 2.02 -1.16 -2.56 112.91 113.62 1sgm h THR 169 Ca 0.04 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1sgm h THR 169 Cb 0.74 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1sgm h THR 169 CO 0.05 0.22 -0.50 0.59 0.37 0.00 0.00 175.52 176.25 1sgm n ASN 170 N -4.32 1.22 -3.28 4.18 3.02 -0.56 -4.94 115.26 110.58 1sgm n ASN 170 Ca 0.01 -0.98 -0.22 0.00 -0.03 0.00 0.00 54.58 53.36 1sgm n ASN 170 Cb 0.21 0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1sgm n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sgm n LYS 171 N -0.77 -3.21 -3.76 3.52 5.02 0.56 -4.93 118.16 114.59 1sgm n LYS 171 Ca 0.09 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1sgm n LYS 171 Cb 0.38 -5.15 -0.15 0.00 -0.02 0.00 0.00 35.03 30.09 1sgm n LYS 171 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sgm s ASP 172 N -2.65 -0.04 0.01 4.39 -1.08 -0.92 -4.92 116.67 111.46 1sgm s ASP 172 Ca 0.36 0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.72 1sgm s ASP 172 Cb -0.19 0.08 0.58 0.00 -1.46 0.00 0.00 42.92 41.93 1sgm s ASP 172 CO 0.44 -0.14 1.43 2.29 0.52 0.00 0.00 175.17 179.72 1sgm n LYS 173 N 4.16 0.01 -0.29 4.34 2.85 -1.26 -4.19 118.16 123.78 1sgm n LYS 173 Ca -0.27 0.28 0.11 0.00 -1.05 0.00 0.00 58.31 57.38 1sgm n LYS 173 Cb 0.51 -1.51 0.27 0.00 -0.65 0.00 0.00 35.03 33.65 1sgm n LYS 173 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1sgm h THR 174 N 0.00 0.47 -0.95 0.58 2.02 -1.94 -1.90 112.91 111.19 1sgm h THR 174 Ca 0.00 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1sgm h THR 174 Cb 0.23 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1sgm h THR 174 CO 0.00 0.06 0.61 -0.65 0.37 0.00 0.00 175.52 175.91 1sgm h PRO 175 N 0.35 0.97 -0.09 6.66 0.11 -1.88 -0.59 132.00 137.53 1sgm h PRO 175 Ca 0.52 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.36 1sgm h PRO 175 Cb 0.96 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1sgm h PRO 175 CO -0.54 0.64 -0.79 -0.07 -0.21 0.00 0.00 178.00 177.03 1sgm h LEU 176 N 1.00 0.69 -1.39 2.35 3.38 -1.56 -2.10 115.31 117.68 1sgm h LEU 176 Ca 0.44 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1sgm h LEU 176 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1sgm h LEU 176 CO -0.19 1.24 -0.26 -0.07 0.09 0.00 0.00 178.44 179.24 1sgm h LEU 177 N 0.38 0.00 -0.30 1.67 3.38 -1.18 -0.26 115.31 119.00 1sgm h LEU 177 Ca -0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1sgm h LEU 177 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1sgm h LEU 177 CO 0.15 0.26 -0.71 0.25 0.09 0.00 0.00 178.44 178.48 1sgm h LEU 178 N 0.00 0.76 -0.61 1.67 5.85 -0.94 -2.78 115.31 119.27 1sgm h LEU 178 Ca -0.00 -0.48 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 1sgm h LEU 178 Cb 0.61 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1sgm h LEU 178 CO 0.03 1.25 -0.32 0.40 -0.34 0.00 0.00 178.44 179.46 1sgm h ILE 179 N 0.46 1.28 -0.71 4.05 2.04 -0.66 -2.90 117.51 121.07 1sgm h ILE 179 Ca -0.03 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1sgm h ILE 179 Cb 1.31 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1sgm h ILE 179 CO 0.14 0.48 0.41 0.00 0.00 0.00 0.00 178.15 179.18 1sgm h ALA 180 N 1.00 1.38 0.00 1.87 0.00 -0.99 -1.94 119.26 120.59 1sgm h ALA 180 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sgm h ALA 180 Cb 0.85 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sgm h ALA 180 CO 0.07 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.23 1sgm n GLU 181 N -4.38 0.15 0.05 0.00 1.02 -1.06 -2.80 120.64 113.63 1sgm n GLU 181 Ca 0.07 0.51 0.08 0.00 -0.02 0.00 0.00 57.16 57.80 1sgm n GLU 181 Cb 0.08 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 29.56 1sgm n GLU 181 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sgm n GLN 182 N -2.18 0.63 0.10 3.49 1.13 -0.73 -4.38 117.38 115.44 1sgm n GLN 182 Ca 0.01 0.07 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1sgm n GLN 182 Cb 0.13 -1.74 0.63 0.00 0.11 0.00 0.00 30.24 29.37 1sgm n GLN 182 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1sgm h ILE 183 N 0.00 0.89 -0.69 5.09 6.09 -1.56 -2.13 117.51 125.20 1sgm h ILE 183 Ca -0.06 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1sgm h ILE 183 Cb 1.19 0.79 -0.03 0.00 0.47 0.00 0.00 36.82 39.24 1sgm h ILE 183 CO 0.01 0.02 0.43 -0.65 -3.07 0.00 0.00 178.15 174.89 1sgm h PRO 184 N 0.09 0.92 -0.00 2.19 0.11 -1.79 -0.45 132.00 133.07 1sgm h PRO 184 Ca 0.15 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1sgm h PRO 184 Cb 0.47 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1sgm h PRO 184 CO -0.01 0.63 -0.57 1.33 -0.21 0.00 0.00 178.00 179.16 1sgm n VAL 185 N -4.41 0.00 -0.02 3.15 0.24 -0.86 -4.19 118.33 112.25 1sgm n VAL 185 Ca 0.07 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 62.16 1sgm n VAL 185 Cb 0.05 0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 32.76 1sgm n VAL 185 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1sgm n LEU 186 N -1.32 2.28 -4.22 1.34 4.77 -0.87 -4.54 117.00 114.44 1sgm n LEU 186 Ca 0.06 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 1sgm n LEU 186 Cb 0.34 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1sgm n LEU 186 CO 0.35 0.77 0.51 -0.69 -1.33 0.00 0.00 177.39 177.00 1sgm s VAL 187 N -2.56 5.08 -2.29 4.08 1.01 -0.23 -5.08 120.40 120.41 1sgm s VAL 187 Ca -0.20 -3.51 0.30 0.00 0.00 0.00 0.00 61.98 58.56 1sgm s VAL 187 Cb 0.07 -4.11 0.70 0.00 0.00 0.00 0.00 36.38 33.04 1sgm s VAL 187 CO 0.76 -1.11 1.95 -2.11 0.00 0.00 0.00 175.10 174.59