#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixm n ASP 14 N 0.00 0.00 -0.23 0.00 2.03 -1.26 -4.97 116.55 112.12 1ixm n ASP 14 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1ixm n ASP 14 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 1ixm n ASP 14 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ixm h THR 15 N 0.00 0.93 -0.11 5.18 2.02 -2.05 -2.43 112.91 116.44 1ixm h THR 15 Ca 0.00 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ixm h THR 15 Cb 0.00 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 1ixm h THR 15 CO 0.00 0.12 -0.34 0.00 0.37 0.00 0.00 175.52 175.67 1ixm h ALA 16 N 1.36 -0.70 -0.38 6.16 0.00 -2.00 -0.55 119.26 123.14 1ixm h ALA 16 Ca 0.30 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ixm h ALA 16 Cb 0.23 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1ixm h ALA 16 CO -0.20 -0.83 0.06 1.25 0.00 0.00 0.00 179.25 179.52 1ixm h LEU 17 N -0.35 -0.03 -0.81 0.00 5.85 -1.89 -2.98 115.31 115.10 1ixm h LEU 17 Ca 0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1ixm h LEU 17 Cb 0.42 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1ixm h LEU 17 CO -0.29 0.02 0.53 0.74 -0.34 0.00 0.00 178.44 179.10 1ixm h THR 18 N 0.18 1.16 0.00 1.05 2.02 -1.01 0.98 112.91 117.28 1ixm h THR 18 Ca 0.18 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 1ixm h THR 18 Cb 0.23 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1ixm h THR 18 CO -0.26 0.19 -0.50 -1.13 0.37 0.00 0.00 175.52 174.19 1ixm h ASN 19 N 1.05 0.00 -0.06 4.18 -0.00 -1.03 -0.67 115.58 119.05 1ixm h ASN 19 Ca 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.52 1ixm h ASN 19 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 1ixm h ASN 19 CO -0.10 0.50 -0.34 -0.08 -0.00 0.00 0.00 177.43 177.42 1ixm h GLU 20 N 0.00 0.33 -0.58 6.67 4.57 -1.26 -1.89 114.58 122.42 1ixm h GLU 20 Ca -0.01 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 57.93 1ixm h GLU 20 Cb 1.22 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 1ixm h GLU 20 CO 0.07 0.93 0.35 -0.07 -1.18 0.00 0.00 179.01 179.10 1ixm h LEU 21 N -0.18 0.56 -1.25 1.64 3.38 -0.68 -1.58 115.31 117.21 1ixm h LEU 21 Ca -0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ixm h LEU 21 Cb 1.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ixm h LEU 21 CO 0.07 0.39 -0.28 0.40 0.09 0.00 0.00 178.44 179.11 1ixm h ILE 22 N 0.69 1.24 -0.02 1.22 5.03 -1.12 -0.48 117.51 124.07 1ixm h ILE 22 Ca 0.24 -1.11 -0.21 0.00 -0.12 0.00 0.00 64.86 63.65 1ixm h ILE 22 Cb 0.04 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1ixm h ILE 22 CO -0.11 0.33 -0.89 0.45 -0.68 0.00 0.00 178.15 177.25 1ixm h HIS 23 N 0.14 0.59 -0.23 1.37 3.86 -0.65 -2.96 115.15 117.26 1ixm h HIS 23 Ca 0.02 -0.31 -0.18 0.00 -1.16 0.00 0.00 60.37 58.74 1ixm h HIS 23 Cb 0.57 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1ixm h HIS 23 CO 0.01 1.11 -0.57 -0.07 0.86 0.00 0.00 177.93 179.27 1ixm h LEU 24 N 0.24 0.91 -2.33 2.43 3.38 -1.20 -2.80 115.31 115.95 1ixm h LEU 24 Ca -0.07 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 1ixm h LEU 24 Cb 1.51 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ixm h LEU 24 CO 0.15 1.31 -0.00 -0.07 0.09 0.00 0.00 178.44 179.92 1ixm h LEU 25 N 0.55 0.00 -0.08 1.67 3.38 -1.11 -1.02 115.31 118.70 1ixm h LEU 25 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1ixm h LEU 25 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ixm h LEU 25 CO 0.12 0.00 -0.54 1.23 0.09 0.00 0.00 178.44 179.35 1ixm h GLY 26 N 0.87 0.00 0.65 0.83 0.00 -1.34 -1.61 103.07 102.47 1ixm h GLY 26 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ixm h GLY 26 CO 0.00 0.00 -0.12 0.45 0.00 0.00 0.00 176.54 176.87 1ixm h HIS 27 N 0.00 0.29 -0.73 5.60 3.86 -0.93 -1.79 115.15 121.45 1ixm h HIS 27 Ca -0.01 -0.10 0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1ixm h HIS 27 Cb 1.38 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.73 1ixm h HIS 27 CO 0.00 0.70 0.38 1.03 0.86 0.00 0.00 177.93 180.89 1ixm h SER 28 N -0.20 0.51 -0.19 2.45 0.87 -1.54 -0.80 113.55 114.65 1ixm h SER 28 Ca 0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1ixm h SER 28 Cb 0.66 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1ixm h SER 28 CO 0.03 0.29 0.08 -0.09 -0.53 0.00 0.00 176.83 176.62 1ixm h ARG 29 N 0.64 0.28 -0.60 2.24 2.43 -1.25 -2.17 114.38 115.95 1ixm h ARG 29 Ca 0.35 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.57 1ixm h ARG 29 Cb 0.35 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1ixm h ARG 29 CO -0.26 0.33 0.22 1.25 -1.51 0.00 0.00 179.97 180.00 1ixm h HIS 30 N 0.17 0.38 -0.05 2.20 2.76 -0.78 -0.27 115.15 119.56 1ixm h HIS 30 Ca 0.07 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1ixm h HIS 30 Cb 0.15 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1ixm h HIS 30 CO -0.02 0.09 -0.12 -0.44 -1.30 0.00 0.00 177.93 176.15 1ixm h ASP 31 N 0.39 -0.35 0.28 3.26 3.32 -0.95 0.80 116.42 123.16 1ixm h ASP 31 Ca 0.30 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1ixm h ASP 31 Cb 0.37 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1ixm h ASP 31 CO -0.31 -0.16 -0.28 -0.50 -1.72 0.00 0.00 179.24 176.27 1ixm h TRP 32 N -0.17 0.00 0.22 4.55 4.06 -1.18 -1.44 115.95 121.98 1ixm h TRP 32 Ca 0.06 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 1ixm h TRP 32 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1ixm h TRP 32 CO -0.20 0.28 -0.11 0.52 -3.56 0.00 0.00 178.44 175.37 1ixm h MET 33 N 0.00 -0.28 -0.89 0.49 2.86 0.20 -1.62 114.93 115.69 1ixm h MET 33 Ca -0.00 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1ixm h MET 33 Cb 0.49 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1ixm h MET 33 CO 0.04 -0.13 0.58 -0.91 1.06 0.00 0.00 176.91 177.55 1ixm h ASN 34 N -0.38 0.94 -0.59 1.22 -0.26 -0.64 -0.23 115.58 115.64 1ixm h ASN 34 Ca -0.03 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1ixm h ASN 34 Cb 0.29 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.31 1ixm h ASN 34 CO 0.05 0.63 0.25 0.11 -1.06 0.00 0.00 177.43 177.42 1ixm h LYS 35 N 1.08 0.88 -0.23 0.81 1.57 -1.18 -1.34 116.57 118.16 1ixm h LYS 35 Ca 0.36 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1ixm h LYS 35 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1ixm h LYS 35 CO -0.12 0.74 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.26 1ixm h LEU 36 N 0.82 0.38 -0.50 2.94 3.38 -0.50 -2.36 115.31 119.47 1ixm h LEU 36 Ca 0.20 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1ixm h LEU 36 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ixm h LEU 36 CO -0.02 0.57 -0.26 1.56 0.09 0.00 0.00 178.44 180.38 1ixm h GLN 37 N 0.36 0.96 -0.54 1.13 1.08 -0.73 -1.79 115.11 115.58 1ixm h GLN 37 Ca 0.07 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 1ixm h GLN 37 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1ixm h GLN 37 CO 0.03 1.10 0.23 -0.07 -0.95 0.00 0.00 178.83 179.17 1ixm h LEU 38 N 0.82 0.73 0.05 1.46 3.38 -1.00 -1.36 115.31 119.39 1ixm h LEU 38 Ca 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ixm h LEU 38 Cb 0.83 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ixm h LEU 38 CO 0.07 0.69 -0.02 0.40 0.09 0.00 0.00 178.44 179.67 1ixm h ILE 39 N 0.73 1.07 -0.73 1.22 2.04 -1.34 -2.05 117.51 118.45 1ixm h ILE 39 Ca 0.18 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.75 1ixm h ILE 39 Cb 0.17 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1ixm h ILE 39 CO -0.02 0.10 0.48 0.11 0.00 0.00 0.00 178.15 178.82 1ixm h LYS 40 N -0.24 0.61 -0.63 2.37 1.57 -1.16 -0.17 116.57 118.93 1ixm h LYS 40 Ca -0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1ixm h LYS 40 Cb 0.21 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ixm h LYS 40 CO 0.01 0.40 0.22 0.78 -0.57 0.00 0.00 179.45 180.29 1ixm h GLY 41 N 0.62 1.01 1.77 3.86 0.00 -0.88 0.54 103.07 109.99 1ixm h GLY 41 Ca 0.34 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ixm h GLY 41 CO -0.12 0.51 -0.22 3.43 0.00 0.00 0.00 176.54 180.14 1ixm h ASN 42 N 0.91 0.00 -0.14 0.19 2.35 -0.54 -2.45 115.58 115.91 1ixm h ASN 42 Ca 0.21 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 1ixm h ASN 42 Cb 0.23 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1ixm h ASN 42 CO -0.01 0.00 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.16 1ixm h LEU 43 N 0.00 0.72 0.21 1.61 -0.00 -0.61 -1.45 115.31 115.79 1ixm h LEU 43 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1ixm h LEU 43 Cb 0.98 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 1ixm h LEU 43 CO 0.00 1.21 -0.21 0.28 -0.00 0.00 0.00 178.44 179.72 1ixm h SER 44 N 0.26 -0.56 0.00 -0.43 0.02 -0.82 0.76 113.55 112.79 1ixm h SER 44 Ca -0.03 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ixm h SER 44 Cb 1.17 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1ixm h SER 44 CO 0.11 -0.31 0.00 0.00 -1.14 0.00 0.00 176.83 175.49 1ixm n LEU 45 N -5.33 3.08 -0.78 5.07 -0.00 -0.93 -4.84 117.00 113.27 1ixm n LEU 45 Ca -0.08 -1.52 -0.03 0.00 -0.00 0.00 0.00 56.01 54.37 1ixm n LEU 45 Cb 0.25 -0.53 -0.01 0.00 -0.00 0.00 0.00 43.42 43.12 1ixm n LEU 45 CO 0.30 0.52 -0.03 0.00 -0.00 0.00 0.00 177.39 178.18 1ixm n GLN 46 N 0.60 -1.40 -2.22 1.47 6.02 0.26 -4.86 117.38 117.26 1ixm n GLN 46 Ca 0.00 0.24 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 1ixm n GLN 46 Cb 0.48 -3.98 0.00 0.00 1.02 0.00 0.00 30.24 27.76 1ixm n GLN 46 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ixm n LYS 47 N -0.83 4.12 -0.32 -1.09 4.76 -0.54 -4.84 118.16 119.42 1ixm n LYS 47 Ca -0.03 -3.57 0.21 0.00 -2.87 0.00 0.00 58.31 52.05 1ixm n LYS 47 Cb 0.15 -2.77 0.49 0.00 -1.84 0.00 0.00 35.03 31.06 1ixm n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1ixm h TYR 48 N 5.20 0.70 -0.60 2.13 0.05 -1.89 -2.17 116.97 120.38 1ixm h TYR 48 Ca 0.52 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 59.25 1ixm h TYR 48 Cb 0.48 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1ixm h TYR 48 CO 1.40 0.08 0.07 0.38 -1.05 0.00 0.00 178.16 179.04 1ixm h ASP 49 N 0.43 0.98 0.28 3.88 2.03 -1.93 -2.54 116.42 119.55 1ixm h ASP 49 Ca 0.58 -0.27 -0.04 0.00 -0.73 0.00 0.00 57.03 56.57 1ixm h ASP 49 Cb 1.41 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 1ixm h ASP 49 CO -0.30 1.01 -0.19 0.03 -1.03 0.00 0.00 179.24 178.76 1ixm h ARG 50 N 0.92 0.00 -0.07 4.15 3.08 -1.77 -1.97 114.38 118.72 1ixm h ARG 50 Ca 0.18 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1ixm h ARG 50 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ixm h ARG 50 CO 0.02 0.19 -0.25 0.28 -1.07 0.00 0.00 179.97 179.14 1ixm h VAL 51 N 0.00 1.43 -0.35 2.04 2.07 -1.47 -1.17 116.25 118.80 1ixm h VAL 51 Ca -0.00 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1ixm h VAL 51 Cb 0.38 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1ixm h VAL 51 CO 0.02 0.47 0.05 -0.26 0.02 0.00 0.00 177.57 177.87 1ixm h PHE 52 N -0.22 0.54 -0.62 1.57 0.04 -1.16 0.31 116.94 117.39 1ixm h PHE 52 Ca -0.01 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1ixm h PHE 52 Cb 0.88 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1ixm h PHE 52 CO 0.13 0.50 0.20 0.93 -0.60 0.00 0.00 178.31 179.46 1ixm h GLU 53 N 0.52 0.96 0.26 1.51 5.08 -1.31 -1.96 114.58 119.64 1ixm h GLU 53 Ca 0.12 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ixm h GLU 53 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ixm h GLU 53 CO 0.00 0.85 -0.12 0.52 -1.00 0.00 0.00 179.01 179.26 1ixm h MET 54 N 0.89 -0.34 -0.93 2.33 2.86 -0.90 -2.45 114.93 116.39 1ixm h MET 54 Ca 0.20 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1ixm h MET 54 Cb 0.29 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1ixm h MET 54 CO -0.01 -0.22 0.60 0.82 1.06 0.00 0.00 176.91 179.16 1ixm h ILE 55 N -0.36 1.10 -0.84 -1.22 2.04 -0.83 -1.44 117.51 115.97 1ixm h ILE 55 Ca -0.04 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.51 1ixm h ILE 55 Cb 0.27 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 1ixm h ILE 55 CO 0.06 0.20 0.50 -0.33 0.00 0.00 0.00 178.15 178.59 1ixm h GLU 56 N 1.12 0.87 -0.33 2.37 4.39 -1.19 -1.42 114.58 120.39 1ixm h GLU 56 Ca 0.39 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.93 1ixm h GLU 56 Cb 0.10 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ixm h GLU 56 CO -0.15 0.57 -0.21 1.05 -1.16 0.00 0.00 179.01 179.11 1ixm h GLU 57 N 0.89 0.72 0.00 2.33 9.09 -0.81 -1.08 114.58 125.72 1ixm h GLU 57 Ca 0.38 -0.34 -0.02 0.00 0.05 0.00 0.00 59.36 59.43 1ixm h GLU 57 Cb 0.24 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1ixm h GLU 57 CO -0.20 0.94 -0.10 0.52 0.05 0.00 0.00 179.01 180.23 1ixm h MET 58 N 0.48 0.00 -0.21 1.06 2.07 -0.46 0.36 114.93 118.24 1ixm h MET 58 Ca 0.07 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.49 1ixm h MET 58 Cb 0.76 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.49 1ixm h MET 58 CO 0.06 0.10 -0.69 0.28 1.07 0.00 0.00 176.91 177.73 1ixm h VAL 59 N 0.00 1.27 -0.09 -2.22 2.07 -0.96 -1.93 116.25 114.40 1ixm h VAL 59 Ca -0.00 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 1ixm h VAL 59 Cb 0.24 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1ixm h VAL 59 CO 0.01 0.60 -0.08 0.40 0.02 0.00 0.00 177.57 178.53 1ixm h ILE 60 N 0.59 1.36 -0.50 4.57 5.03 0.38 -2.35 117.51 126.59 1ixm h ILE 60 Ca -0.03 -1.22 -0.05 0.00 -0.12 0.00 0.00 64.86 63.45 1ixm h ILE 60 Cb 1.31 1.98 -0.02 0.00 -3.03 0.00 0.00 36.82 37.06 1ixm h ILE 60 CO 0.15 0.34 0.12 0.44 -0.68 0.00 0.00 178.15 178.52 1ixm h ASP 61 N -0.21 0.70 -0.28 1.72 5.19 -0.44 -0.03 116.42 123.08 1ixm h ASP 61 Ca 0.01 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.20 1ixm h ASP 61 Cb 0.58 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1ixm h ASP 61 CO 0.02 0.69 -0.21 0.00 -3.12 0.00 0.00 179.24 176.62 1ixm h ALA 62 N 1.40 0.91 -0.87 3.45 0.00 -1.37 -2.52 119.26 120.27 1ixm h ALA 62 Ca 0.16 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ixm h ALA 62 Cb 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ixm h ALA 62 CO -0.00 0.62 0.57 -0.22 0.00 0.00 0.00 179.25 180.22 1ixm h LYS 63 N 0.66 1.12 0.00 0.00 3.64 -0.46 -1.36 116.57 120.17 1ixm h LYS 63 Ca 0.09 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1ixm h LYS 63 Cb 0.71 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1ixm h LYS 63 CO 0.05 0.74 -0.53 0.45 -2.27 0.00 0.00 179.45 177.89 1ixm h HIS 64 N 1.15 0.00 -0.04 1.91 3.86 -1.28 -1.23 115.15 119.53 1ixm h HIS 64 Ca 0.32 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.42 1ixm h HIS 64 Cb -0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1ixm h HIS 64 CO -0.01 0.53 -0.50 1.49 0.86 0.00 0.00 177.93 180.30 1ixm h GLU 65 N 0.00 0.11 -0.07 2.45 4.81 -0.93 -0.90 114.58 120.05 1ixm h GLU 65 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1ixm h GLU 65 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1ixm h GLU 65 CO 0.07 0.58 -0.14 1.03 -0.73 0.00 0.00 179.01 179.82 1ixm h SER 66 N 0.09 0.25 -0.76 1.04 0.87 -0.88 -2.30 113.55 111.84 1ixm h SER 66 Ca 0.00 -0.57 0.16 0.00 -1.23 0.00 0.00 61.79 60.15 1ixm h SER 66 Cb 0.91 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.70 1ixm h SER 66 CO 0.07 0.77 0.27 0.11 -0.53 0.00 0.00 176.83 177.52 1ixm h LYS 67 N -0.27 0.37 -0.36 2.24 1.57 -1.08 0.19 116.57 119.24 1ixm h LYS 67 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1ixm h LYS 67 Cb 0.73 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1ixm h LYS 67 CO 0.03 0.24 -0.38 1.25 -0.57 0.00 0.00 179.45 180.03 1ixm h LEU 68 N 0.38 0.90 -1.51 2.94 5.85 -1.18 -1.94 115.31 120.75 1ixm h LEU 68 Ca 0.43 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ixm h LEU 68 Cb 0.70 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1ixm h LEU 68 CO -0.45 1.17 -0.25 0.28 -0.34 0.00 0.00 178.44 178.85 1ixm h SER 69 N 0.70 0.00 -0.49 1.25 0.02 -0.38 -3.09 113.55 111.56 1ixm h SER 69 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ixm h SER 69 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1ixm h SER 69 CO 0.09 0.25 0.00 0.59 -1.14 0.00 0.00 176.83 176.62 1ixm n ASN 70 N -4.19 3.51 0.00 3.07 3.02 0.46 -4.38 115.26 116.75 1ixm n ASN 70 Ca -0.02 -2.12 0.14 0.00 -0.03 0.00 0.00 54.58 52.54 1ixm n ASN 70 Cb 0.31 -0.37 0.82 0.00 -0.61 0.00 0.00 39.78 39.93 1ixm n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ixm n LEU 71 N 0.85 0.00 -2.74 3.41 4.77 -0.75 -4.74 117.00 117.79 1ixm n LEU 71 Ca 0.18 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 1ixm n LEU 71 Cb 0.57 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1ixm n LEU 71 CO 0.13 0.00 -0.13 2.29 -1.33 0.00 0.00 177.39 178.35 1ixm n LYS 72 N -0.98 -3.21 -3.84 3.23 -0.00 -1.26 -2.16 118.16 109.93 1ixm n LYS 72 Ca 0.21 0.87 -0.28 0.00 -0.00 0.00 0.00 58.31 59.11 1ixm n LYS 72 Cb 0.10 -5.62 -0.11 0.00 -0.00 0.00 0.00 35.03 29.40 1ixm n LYS 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ixm n THR 73 N -4.13 1.80 -0.13 0.58 5.66 -1.26 -3.97 114.28 112.83 1ixm n THR 73 Ca -0.16 -4.93 -0.09 0.00 -3.05 0.00 0.00 64.05 55.82 1ixm n THR 73 Cb 0.64 -2.19 -0.01 0.00 -1.55 0.00 0.00 70.33 67.22 1ixm n THR 73 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1ixm h PRO 74 N 5.28 0.56 0.06 1.09 0.13 -1.91 -1.93 132.00 135.28 1ixm h PRO 74 Ca 0.16 -0.10 -0.26 0.00 -0.87 0.00 0.00 66.00 64.93 1ixm h PRO 74 Cb 0.74 -0.09 0.02 0.00 0.13 0.00 0.00 31.00 31.81 1ixm h PRO 74 CO 0.74 0.54 -1.04 0.45 -0.23 0.00 0.00 178.00 178.46 1ixm h HIS 75 N 0.46 0.94 -0.59 1.56 3.86 -1.93 -1.92 115.15 117.54 1ixm h HIS 75 Ca 0.12 -0.55 0.06 0.00 -1.16 0.00 0.00 60.37 58.85 1ixm h HIS 75 Cb 0.19 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.51 1ixm h HIS 75 CO -0.00 1.39 0.29 1.25 0.86 0.00 0.00 177.93 181.72 1ixm h LEU 76 N 0.22 0.39 0.16 2.43 5.85 -1.77 -2.40 115.31 120.20 1ixm h LEU 76 Ca -0.15 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ixm h LEU 76 Cb 1.72 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1ixm h LEU 76 CO 0.20 0.25 -0.08 0.00 -0.34 0.00 0.00 178.44 178.48 1ixm h ALA 77 N 1.34 -0.21 -0.31 1.25 0.00 -1.29 -1.27 119.26 118.77 1ixm h ALA 77 Ca 0.28 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1ixm h ALA 77 Cb 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1ixm h ALA 77 CO -0.21 -0.61 -0.26 0.35 0.00 0.00 0.00 179.25 178.51 1ixm h PHE 78 N -0.23 -0.70 -0.89 0.00 3.57 -1.15 -0.56 116.94 116.99 1ixm h PHE 78 Ca -0.02 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1ixm h PHE 78 Cb 0.17 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 1ixm h PHE 78 CO -0.06 -0.34 0.54 -0.44 -2.23 0.00 0.00 178.31 175.78 1ixm h ASP 79 N -0.24 0.83 -0.04 0.41 3.32 -1.29 -1.88 116.42 117.53 1ixm h ASP 79 Ca 0.16 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1ixm h ASP 79 Cb 0.48 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1ixm h ASP 79 CO -0.45 0.50 -0.30 -0.26 -1.72 0.00 0.00 179.24 177.01 1ixm h PHE 80 N 0.95 0.56 0.01 4.55 -1.00 -0.72 -1.87 116.94 119.41 1ixm h PHE 80 Ca 0.40 -0.13 -0.23 0.00 2.81 0.00 0.00 57.97 60.82 1ixm h PHE 80 Cb 0.27 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1ixm h PHE 80 CO -0.03 0.74 -0.96 -0.07 -1.61 0.00 0.00 178.31 176.38 1ixm h LEU 81 N 0.43 0.57 -0.25 1.54 3.38 -0.57 -3.31 115.31 117.10 1ixm h LEU 81 Ca 0.05 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ixm h LEU 81 Cb 0.74 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ixm h LEU 81 CO 0.06 1.26 -0.51 0.35 0.09 0.00 0.00 178.44 179.69 1ixm n THR 82 N -3.75 0.00 -0.32 0.22 -2.24 -0.76 -4.58 114.28 102.86 1ixm n THR 82 Ca -0.07 -0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1ixm n THR 82 Cb 0.85 0.52 0.09 0.00 -2.10 0.00 0.00 70.33 69.69 1ixm n THR 82 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ixm h PHE 83 N 0.61 -0.62 0.00 4.78 3.04 -1.42 -1.05 116.94 122.27 1ixm h PHE 83 Ca 0.00 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1ixm h PHE 83 Cb 0.53 0.41 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1ixm h PHE 83 CO 0.00 -0.39 0.00 0.09 -2.02 0.00 0.00 178.31 175.99 1ixm n ASN 84 N -5.54 0.24 -0.65 0.41 3.02 -1.26 -2.47 115.26 109.01 1ixm n ASN 84 Ca 0.12 0.52 0.13 0.00 -0.03 0.00 0.00 54.58 55.33 1ixm n ASN 84 Cb 0.43 -0.59 0.35 0.00 -0.61 0.00 0.00 39.78 39.36 1ixm n ASN 84 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ixm n TRP 85 N -1.73 0.00 -4.62 3.10 8.01 -0.42 -4.92 117.44 116.87 1ixm n TRP 85 Ca 0.06 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.97 1ixm n TRP 85 Cb 0.36 -0.01 -0.10 0.00 -2.01 0.00 0.00 31.31 29.55 1ixm n TRP 85 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1ixm s LYS 86 N -2.04 1.96 -0.73 -0.99 3.01 -1.03 -5.08 119.74 114.83 1ixm s LYS 86 Ca 0.33 -2.13 -0.23 0.00 -1.01 0.00 0.00 55.97 52.94 1ixm s LYS 86 Cb 0.20 -1.53 0.07 0.00 -1.01 0.00 0.00 37.83 35.57 1ixm s LYS 86 CO 0.34 -0.11 1.07 0.95 0.51 0.00 0.00 175.35 178.10 1ixm s THR 87 N -2.80 4.27 0.17 2.17 -4.23 -1.26 -4.95 115.64 109.00 1ixm s THR 87 Ca 0.31 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.40 1ixm s THR 87 Cb 0.09 -4.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.12 1ixm s THR 87 CO 0.16 -1.56 -0.03 -1.00 -0.54 0.00 0.00 174.62 171.65 1ixm s HIS 88 N 4.17 1.28 -0.37 3.99 3.76 -1.26 -5.07 115.29 121.80 1ixm s HIS 88 Ca 0.27 -0.92 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 1ixm s HIS 88 Cb -0.13 -0.71 0.50 0.00 1.11 0.00 0.00 32.58 33.35 1ixm s HIS 88 CO 0.07 -0.09 1.53 0.66 -0.85 0.00 0.00 174.74 176.06 1ixm n TYR 89 N -0.25 1.96 -3.62 1.40 4.01 -1.26 -4.91 117.16 114.49 1ixm n TYR 89 Ca -0.08 -2.01 -0.09 0.00 -0.16 0.00 0.00 57.90 55.56 1ixm n TYR 89 Cb 0.62 -0.65 -0.06 0.00 -0.31 0.00 0.00 39.34 38.94 1ixm n TYR 89 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ixm s MET 90 N -3.44 0.48 0.43 -0.72 0.23 -1.26 -4.51 119.30 110.52 1ixm s MET 90 Ca 0.50 0.35 -0.13 0.00 -1.03 0.00 0.00 55.69 55.39 1ixm s MET 90 Cb 0.43 0.23 -0.07 0.00 -1.53 0.00 0.00 34.83 33.89 1ixm s MET 90 CO 0.01 -0.10 0.83 0.95 -2.03 0.00 0.00 175.02 174.68 1ixm s THR 91 N -0.36 4.69 0.20 3.16 -4.23 -0.64 -4.95 115.64 113.51 1ixm s THR 91 Ca 0.02 0.84 0.09 0.00 -1.18 0.00 0.00 61.69 61.46 1ixm s THR 91 Cb -0.03 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1ixm s THR 91 CO -0.04 -0.54 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.22 1ixm s LEU 92 N -3.83 3.09 -0.01 4.79 2.96 -1.26 -1.53 118.68 122.89 1ixm s LEU 92 Ca 0.54 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 1ixm s LEU 92 Cb -0.10 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1ixm s LEU 92 CO 0.30 0.08 0.22 -0.70 -1.32 0.00 0.00 176.35 174.93 1ixm s GLU 93 N -3.02 0.55 0.20 1.98 2.12 0.37 -4.91 118.70 116.00 1ixm s GLU 93 Ca 0.27 -0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 1ixm s GLU 93 Cb -0.08 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1ixm s GLU 93 CO 0.17 -0.14 0.25 1.52 -0.54 0.00 0.00 175.26 176.51 1ixm s TYR 94 N -1.27 0.80 -0.09 5.30 -0.85 -1.26 -1.97 117.35 118.01 1ixm s TYR 94 Ca -0.13 -1.09 -0.20 0.00 -0.52 0.00 0.00 57.07 55.13 1ixm s TYR 94 Cb -0.06 -0.27 0.04 0.00 0.38 0.00 0.00 41.96 42.06 1ixm s TYR 94 CO 0.03 -0.74 0.48 -2.00 -1.52 0.00 0.00 175.55 171.79 1ixm s GLU 95 N -4.08 0.73 -0.29 -3.49 2.12 0.05 -4.91 118.70 108.83 1ixm s GLU 95 Ca 0.30 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.91 1ixm s GLU 95 Cb 0.04 0.34 0.09 0.00 0.26 0.00 0.00 34.13 34.86 1ixm s GLU 95 CO 0.09 -0.18 0.03 0.08 -0.54 0.00 0.00 175.26 174.74 1ixm s VAL 96 N -0.67 1.52 -0.41 3.70 1.01 -1.26 -1.24 120.40 123.05 1ixm s VAL 96 Ca -0.08 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.09 1ixm s VAL 96 Cb -0.03 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1ixm s VAL 96 CO 0.04 -0.44 0.65 -0.76 0.00 0.00 0.00 175.10 174.59 1ixm s LEU 97 N 1.33 4.40 0.00 3.92 1.43 0.65 -4.94 118.68 125.47 1ixm s LEU 97 Ca 0.04 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1ixm s LEU 97 Cb -0.18 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1ixm s LEU 97 CO -0.13 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.34 1ixm n GLY 98 N 4.91 0.46 3.77 -3.19 0.00 -1.26 -0.74 105.19 109.13 1ixm n GLY 98 Ca -0.01 -2.32 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 1ixm n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ixm s GLU 99 N -0.45 4.40 0.10 1.61 2.02 -1.26 -4.91 118.70 120.21 1ixm s GLU 99 Ca 0.00 1.65 -0.31 0.00 0.02 0.00 0.00 54.97 56.33 1ixm s GLU 99 Cb 0.00 -2.86 -0.10 0.00 0.10 0.00 0.00 34.13 31.27 1ixm s GLU 99 CO 0.00 0.04 1.78 0.42 0.02 0.00 0.00 175.26 177.52 1ixm s ILE 100 N -1.41 2.70 -0.03 -1.63 -1.09 -1.26 -4.84 121.20 113.64 1ixm s ILE 100 Ca 0.51 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1ixm s ILE 100 Cb -0.27 -3.11 0.03 0.00 -1.58 0.00 0.00 42.46 37.53 1ixm s ILE 100 CO 0.34 -0.00 0.01 -0.75 -1.23 0.00 0.00 174.94 173.31 1ixm s LYS 101 N 2.78 0.16 -0.76 2.79 2.20 -1.26 -5.05 119.74 120.61 1ixm s LYS 101 Ca 0.79 0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 56.27 1ixm s LYS 101 Cb -0.44 -0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 1ixm s LYS 101 CO 0.35 -0.15 2.21 0.16 -0.36 0.00 0.00 175.35 177.56 1ixm s ASP 102 N 1.06 4.49 -0.14 1.43 1.47 -1.26 -4.77 116.67 118.95 1ixm s ASP 102 Ca -0.09 0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.67 1ixm s ASP 102 Cb -0.13 -2.54 0.15 0.00 -0.34 0.00 0.00 42.92 40.06 1ixm s ASP 102 CO -0.02 -3.23 1.55 0.18 0.68 0.00 0.00 175.17 174.33 1ixm n LEU 103 N 16.22 4.79 -0.31 2.11 4.77 -0.92 -4.62 117.00 139.04 1ixm n LEU 103 Ca 0.40 -2.40 0.09 0.00 -0.03 0.00 0.00 56.01 54.07 1ixm n LEU 103 Cb 0.47 -0.79 0.26 0.00 -2.33 0.00 0.00 43.42 41.03 1ixm n LEU 103 CO 0.60 0.84 1.12 -1.28 -1.33 0.00 0.00 177.39 177.34 1ixm h SER 104 N 0.67 0.57 0.41 -1.43 0.87 -1.75 -2.21 113.55 110.68 1ixm h SER 104 Ca 0.17 0.10 -0.26 0.00 -1.23 0.00 0.00 61.79 60.57 1ixm h SER 104 Cb 1.28 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1ixm h SER 104 CO 0.35 0.21 -1.13 0.00 -0.53 0.00 0.00 176.83 175.73 1ixm h ALA 105 N 1.60 0.18 0.00 6.23 0.00 -1.89 -3.27 119.26 122.12 1ixm h ALA 105 Ca 0.51 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ixm h ALA 105 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ixm h ALA 105 CO -0.39 0.85 0.00 1.88 0.00 0.00 0.00 179.25 181.59 1ixm h TYR 106 N 0.17 0.00 -0.43 0.00 0.05 -1.79 -3.38 116.97 111.60 1ixm h TYR 106 Ca -0.13 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1ixm h TYR 106 Cb 1.81 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.46 1ixm h TYR 106 CO 0.07 0.00 -0.49 0.22 -1.05 0.00 0.00 178.16 176.91 1ixm h ASP 107 N 0.00 -1.64 0.90 3.88 -0.00 -1.47 0.71 116.42 118.80 1ixm h ASP 107 Ca 0.00 0.23 -0.06 0.00 -0.00 0.00 0.00 57.03 57.20 1ixm h ASP 107 Cb 0.55 0.70 -0.01 0.00 -0.00 0.00 0.00 39.33 40.57 1ixm h ASP 107 CO 0.00 -0.38 -0.29 1.56 -0.00 0.00 0.00 179.24 180.13 1ixm h GLN 108 N -0.35 0.00 0.19 0.28 1.08 -1.84 -0.63 115.11 113.83 1ixm h GLN 108 Ca 0.11 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.99 1ixm h GLN 108 Cb 0.59 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.04 1ixm h GLN 108 CO -0.60 0.29 -1.54 0.87 -0.95 0.00 0.00 178.83 176.90 1ixm h LYS 109 N 0.00 0.39 0.20 1.46 1.79 -1.48 -2.68 116.57 116.26 1ixm h LYS 109 Ca -0.00 -0.67 -0.01 0.00 -2.18 0.00 0.00 60.65 57.78 1ixm h LYS 109 Cb 0.81 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1ixm h LYS 109 CO 0.04 1.32 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.56 1ixm h LEU 110 N -0.01 -0.23 -1.07 2.94 3.38 -0.90 -2.06 115.31 117.36 1ixm h LEU 110 Ca -0.30 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1ixm h LEU 110 Cb 2.01 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.76 1ixm h LEU 110 CO 0.18 -0.12 0.62 0.00 0.09 0.00 0.00 178.44 179.21 1ixm h ALA 111 N 0.47 1.43 -0.14 1.53 0.00 -1.24 0.67 119.26 121.98 1ixm h ALA 111 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ixm h ALA 111 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ixm h ALA 111 CO 0.05 0.44 0.07 1.57 0.00 0.00 0.00 179.25 181.38 1ixm h LYS 112 N 1.14 0.20 -0.32 0.00 -0.00 -1.38 -1.54 116.57 114.68 1ixm h LYS 112 Ca 0.40 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.65 60.99 1ixm h LYS 112 Cb 0.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 32.30 1ixm h LYS 112 CO -0.15 0.24 0.06 1.25 -0.00 0.00 0.00 179.45 180.85 1ixm h LEU 113 N 0.12 0.51 -1.79 7.07 5.85 -0.80 -1.62 115.31 124.64 1ixm h LEU 113 Ca 0.05 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1ixm h LEU 113 Cb 0.10 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1ixm h LEU 113 CO -0.01 0.63 -0.13 0.24 -0.34 0.00 0.00 178.44 178.84 1ixm h MET 114 N 0.36 0.00 0.00 1.25 2.86 -0.83 0.58 114.93 119.15 1ixm h MET 114 Ca 0.10 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.50 1ixm h MET 114 Cb 0.34 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ixm h MET 114 CO 0.01 0.13 -0.99 0.00 1.06 0.00 0.00 176.91 177.12 1ixm h ARG 115 N 0.00 0.52 -0.52 1.72 3.08 -0.80 0.25 114.38 118.63 1ixm h ARG 115 Ca -0.00 -0.56 -0.12 0.00 0.07 0.00 0.00 59.98 59.36 1ixm h ARG 115 Cb 0.24 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1ixm h ARG 115 CO 0.02 1.19 -0.16 0.87 -1.07 0.00 0.00 179.97 180.82 1ixm h LYS 116 N 0.29 1.02 -0.38 0.04 1.57 -0.31 -2.02 116.57 116.78 1ixm h LYS 116 Ca -0.10 -0.41 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 1ixm h LYS 116 Cb 1.63 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 1ixm h LYS 116 CO 0.18 1.09 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.75 1ixm h LEU 117 N 0.90 0.91 -1.35 2.94 3.38 -0.97 -2.22 115.31 118.89 1ixm h LEU 117 Ca 0.13 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1ixm h LEU 117 Cb 0.74 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ixm h LEU 117 CO 0.06 1.16 -0.10 -0.26 0.09 0.00 0.00 178.44 179.38 1ixm h PHE 118 N 0.72 0.33 -0.16 1.13 0.04 -0.67 0.44 116.94 118.78 1ixm h PHE 118 Ca 0.07 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 1ixm h PHE 118 Cb 0.90 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1ixm h PHE 118 CO 0.05 0.42 -0.49 0.45 -0.60 0.00 0.00 178.31 178.14 1ixm h HIS 119 N 0.30 0.79 -0.25 -0.55 3.86 -1.36 -0.25 115.15 117.69 1ixm h HIS 119 Ca 0.06 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 58.99 1ixm h HIS 119 Cb 0.37 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 1ixm h HIS 119 CO 0.01 1.10 0.02 -0.07 0.86 0.00 0.00 177.93 179.84 1ixm h LEU 120 N 0.26 -0.06 -0.51 2.43 4.07 -1.25 -1.62 115.31 118.64 1ixm h LEU 120 Ca -0.02 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1ixm h LEU 120 Cb 1.11 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 1ixm h LEU 120 CO 0.10 0.00 0.32 -0.26 -1.08 0.00 0.00 178.44 177.52 1ixm h PHE 121 N 0.10 0.59 0.00 1.13 0.04 -0.80 -1.59 116.94 116.41 1ixm h PHE 121 Ca 0.12 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1ixm h PHE 121 Cb 0.14 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1ixm h PHE 121 CO -0.18 0.35 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.37 1ixm h ASP 122 N 0.63 0.00 1.29 2.17 3.32 -0.53 -0.08 116.42 123.23 1ixm h ASP 122 Ca 0.20 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1ixm h ASP 122 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1ixm h ASP 122 CO -0.08 0.07 -0.73 1.56 -1.72 0.00 0.00 179.24 178.34 1ixm h GLN 123 N 0.00 0.00 0.02 3.56 1.08 -0.67 -3.40 115.11 115.71 1ixm h GLN 123 Ca -0.00 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.81 1ixm h GLN 123 Cb 0.28 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.65 1ixm h GLN 123 CO 0.01 0.16 -2.36 0.00 -0.95 0.00 0.00 178.83 175.69 1ixm n ALA 124 N -2.21 1.28 -1.75 3.87 0.00 -0.56 -4.23 120.51 116.91 1ixm n ALA 124 Ca -0.01 -0.99 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 1ixm n ALA 124 Cb 0.64 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.95 1ixm n ALA 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ixm s VAL 125 N -2.52 2.44 -0.23 0.00 -7.23 -0.15 -0.42 120.40 112.29 1ixm s VAL 125 Ca -0.33 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.85 1ixm s VAL 125 Cb 0.09 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1ixm s VAL 125 CO 0.61 -0.03 1.70 -0.94 -0.31 0.00 0.00 175.10 176.13 1ixm s SER 126 N -1.32 6.24 0.60 4.85 1.04 -0.18 -4.38 113.70 120.55 1ixm s SER 126 Ca 0.74 1.63 0.29 0.00 0.48 0.00 0.00 55.95 59.09 1ixm s SER 126 Cb -0.34 -2.53 1.65 0.00 0.10 0.00 0.00 66.02 64.89 1ixm s SER 126 CO 0.39 -1.37 2.06 0.03 0.98 0.00 0.00 173.24 175.32 1ixm h ARG 127 N 11.35 0.00 -0.87 4.02 2.47 -1.91 -1.89 114.38 127.55 1ixm h ARG 127 Ca -0.35 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.07 1ixm h ARG 127 Cb 1.16 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.31 1ixm h ARG 127 CO 1.00 0.00 0.38 -0.85 0.56 0.00 0.00 179.97 181.06 1ixm n GLU 128 N -3.69 2.92 -4.19 0.04 0.00 -1.26 -4.94 120.64 109.51 1ixm n GLU 128 Ca 0.02 -2.69 -0.17 0.00 0.00 0.00 0.00 57.16 54.33 1ixm n GLU 128 Cb 0.39 -2.09 -0.13 0.00 0.00 0.00 0.00 31.44 29.62 1ixm n GLU 128 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1ixm s SER 129 N -0.90 1.21 -1.21 -1.84 0.01 -0.71 -5.09 113.70 105.17 1ixm s SER 129 Ca 0.49 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 57.15 1ixm s SER 129 Cb 0.40 -0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.73 1ixm s SER 129 CO 0.11 -0.06 1.50 -1.61 0.41 0.00 0.00 173.24 173.59 1ixm s GLU 130 N -1.21 4.01 0.36 12.44 2.02 -1.26 -4.90 118.70 130.16 1ixm s GLU 130 Ca -0.03 -2.31 -0.26 0.00 0.02 0.00 0.00 54.97 52.39 1ixm s GLU 130 Cb -0.08 -5.19 -0.09 0.00 0.10 0.00 0.00 34.13 28.87 1ixm s GLU 130 CO 0.01 -1.92 1.10 -0.80 0.02 0.00 0.00 175.26 173.67 1ixm s ASN 131 N 3.35 6.87 -0.05 -0.19 0.01 -1.26 -4.68 114.94 118.99 1ixm s ASN 131 Ca 0.45 2.22 -0.08 0.00 -0.71 0.00 0.00 52.86 54.74 1ixm s ASN 131 Cb -0.01 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.06 1ixm s ASN 131 CO 0.01 -0.42 0.20 -2.28 -1.51 0.00 0.00 177.10 173.10 1ixm s HIS 132 N -1.41 -0.16 -0.02 2.20 2.46 0.56 -1.62 115.29 117.30 1ixm s HIS 132 Ca 0.53 0.38 0.01 0.00 0.47 0.00 0.00 55.06 56.45 1ixm s HIS 132 Cb -0.28 0.05 0.01 0.00 -0.13 0.00 0.00 32.58 32.23 1ixm s HIS 132 CO 0.36 -0.17 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.24 1ixm s LEU 133 N -0.34 1.68 -0.05 8.88 1.98 -0.58 -1.07 118.68 129.18 1ixm s LEU 133 Ca -0.04 -0.11 0.06 0.00 -2.89 0.00 0.00 54.13 51.15 1ixm s LEU 133 Cb -0.03 -0.35 -0.01 0.00 0.66 0.00 0.00 46.19 46.46 1ixm s LEU 133 CO 0.01 0.01 -0.24 -0.89 -1.89 0.00 0.00 176.35 173.35 1ixm s THR 134 N 0.36 1.95 -0.10 3.68 2.01 -0.89 -0.48 115.64 122.16 1ixm s THR 134 Ca -0.04 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1ixm s THR 134 Cb -0.08 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1ixm s THR 134 CO -0.00 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 1ixm s VAL 135 N -0.19 1.16 -0.25 3.82 1.01 -0.83 -1.36 120.40 123.74 1ixm s VAL 135 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1ixm s VAL 135 Cb -0.13 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1ixm s VAL 135 CO 0.03 0.38 -0.09 -0.44 0.00 0.00 0.00 175.10 174.98 1ixm s SER 136 N 1.31 4.32 -0.37 3.32 0.01 -0.69 -0.77 113.70 120.83 1ixm s SER 136 Ca -0.02 -1.14 -0.24 0.00 1.31 0.00 0.00 55.95 55.86 1ixm s SER 136 Cb -0.14 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1ixm s SER 136 CO -0.04 -0.16 0.83 -0.76 0.41 0.00 0.00 173.24 173.51 1ixm s LEU 137 N 1.21 4.09 -0.60 2.44 1.02 -0.37 -1.51 118.68 124.97 1ixm s LEU 137 Ca -0.04 0.41 -0.17 0.00 0.02 0.00 0.00 54.13 54.35 1ixm s LEU 137 Cb -0.18 -3.10 0.12 0.00 0.02 0.00 0.00 46.19 43.06 1ixm s LEU 137 CO -0.05 -0.78 0.63 0.00 0.02 0.00 0.00 176.35 176.17 1ixm s GLN 138 N 3.23 3.08 -0.52 1.70 -2.07 -0.26 -0.26 119.66 124.55 1ixm s GLN 138 Ca 0.33 -1.58 -0.03 0.00 -1.82 0.00 0.00 55.36 52.26 1ixm s GLN 138 Cb -0.13 -4.31 0.16 0.00 -1.09 0.00 0.00 33.01 27.65 1ixm s GLN 138 CO 0.18 -1.44 2.47 0.25 -1.32 0.00 0.00 175.29 175.43 1ixm n THR 139 N 5.30 3.31 -1.41 3.63 -2.24 0.08 -1.37 114.28 121.57 1ixm n THR 139 Ca -0.09 -3.01 0.00 0.00 -2.27 0.00 0.00 64.05 58.68 1ixm n THR 139 Cb 0.42 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1ixm n THR 139 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ixm n ASP 140 N 0.41 0.00 -4.76 3.42 8.00 -1.26 -4.01 116.55 118.35 1ixm n ASP 140 Ca 0.48 -0.61 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1ixm n ASP 140 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1ixm n ASP 140 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1ixm s HIS 141 N 0.00 3.23 0.16 1.24 5.65 -1.26 -4.91 115.29 119.40 1ixm s HIS 141 Ca 0.00 1.47 -0.13 0.00 0.25 0.00 0.00 55.06 56.65 1ixm s HIS 141 Cb 0.00 -3.55 0.04 0.00 -1.18 0.00 0.00 32.58 27.89 1ixm s HIS 141 CO 0.00 -1.48 1.69 -1.00 -0.65 0.00 0.00 174.74 173.31 1ixm h PRO 142 N 3.80 0.81 0.00 2.88 0.14 -1.99 -3.38 132.00 134.25 1ixm h PRO 142 Ca -0.48 -0.16 0.00 0.00 0.14 0.00 0.00 66.00 65.50 1ixm h PRO 142 Cb 1.22 -0.12 0.00 0.00 0.14 0.00 0.00 31.00 32.24 1ixm h PRO 142 CO 0.68 0.73 0.00 -0.40 0.14 0.00 0.00 178.00 179.15 1ixm n ASP 143 N -4.49 0.00 -4.61 1.44 5.68 -1.26 -4.82 116.55 108.48 1ixm n ASP 143 Ca 0.02 0.48 -0.34 0.00 -0.50 0.00 0.00 54.79 54.45 1ixm n ASP 143 Cb 0.18 -0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 39.77 1ixm n ASP 143 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ixm s ARG 144 N -1.19 2.82 0.00 0.11 1.70 -1.26 -5.03 118.95 116.10 1ixm s ARG 144 Ca 0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1ixm s ARG 144 Cb 0.00 -2.65 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 1ixm s ARG 144 CO 0.00 0.67 0.57 0.00 -1.08 0.00 0.00 175.30 175.46 1ixm n GLN 145 N 2.21 0.00 -3.46 3.89 10.64 -1.22 -4.13 117.38 125.32 1ixm n GLN 145 Ca -0.18 0.11 0.01 0.00 -1.83 0.00 0.00 57.00 55.10 1ixm n GLN 145 Cb 0.53 -1.51 -0.04 0.00 -0.86 0.00 0.00 30.24 28.35 1ixm n GLN 145 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1ixm s LEU 146 N -2.13 -0.67 -0.14 2.61 0.20 -1.23 -4.50 118.68 112.82 1ixm s LEU 146 Ca 0.00 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1ixm s LEU 146 Cb 0.00 1.78 0.02 0.00 -0.43 0.00 0.00 46.19 47.56 1ixm s LEU 146 CO 0.00 -0.13 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.18 1ixm s ILE 147 N 2.44 1.41 -0.25 6.68 1.09 -0.47 -1.22 121.20 130.89 1ixm s ILE 147 Ca -0.04 -0.54 -0.24 0.00 -1.10 0.00 0.00 60.65 58.73 1ixm s ILE 147 Cb -0.07 -1.35 -0.00 0.00 -1.06 0.00 0.00 42.46 39.97 1ixm s ILE 147 CO -0.18 0.42 0.83 -0.76 -0.10 0.00 0.00 174.94 175.16 1ixm s LEU 148 N 1.55 4.08 -0.22 2.97 1.02 0.76 -1.11 118.68 127.74 1ixm s LEU 148 Ca 0.05 1.02 -0.06 0.00 0.02 0.00 0.00 54.13 55.16 1ixm s LEU 148 Cb -0.13 -3.18 -0.03 0.00 0.02 0.00 0.00 46.19 42.87 1ixm s LEU 148 CO -0.10 -0.52 0.03 -0.31 0.02 0.00 0.00 176.35 175.47 1ixm s TYR 149 N 2.85 3.07 -0.32 0.29 2.02 -0.57 -1.10 117.35 123.59 1ixm s TYR 149 Ca 0.35 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1ixm s TYR 149 Cb -0.15 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1ixm s TYR 149 CO 0.08 -0.28 0.08 -0.51 -1.57 0.00 0.00 175.55 173.35 1ixm s LEU 150 N 1.23 4.11 -0.40 -1.29 1.02 -0.33 -1.70 118.68 121.31 1ixm s LEU 150 Ca 0.04 -1.03 -0.06 0.00 0.02 0.00 0.00 54.13 53.10 1ixm s LEU 150 Cb -0.15 -1.85 0.09 0.00 0.02 0.00 0.00 46.19 44.30 1ixm s LEU 150 CO 0.02 -0.28 0.21 -1.81 0.02 0.00 0.00 176.35 174.52 1ixm s ASP 151 N 1.41 5.42 -0.09 2.29 1.11 -0.47 -2.60 116.67 123.75 1ixm s ASP 151 Ca -0.01 -1.65 -0.10 0.00 0.18 0.00 0.00 52.55 50.98 1ixm s ASP 151 Cb -0.19 -1.90 -0.05 0.00 1.07 0.00 0.00 42.92 41.85 1ixm s ASP 151 CO 0.02 -0.51 0.22 0.12 1.18 0.00 0.00 175.17 176.20 1ixm s PHE 152 N 1.31 3.63 -0.04 4.23 5.36 -0.60 -2.09 117.98 129.78 1ixm s PHE 152 Ca 0.04 0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 56.65 1ixm s PHE 152 Cb -0.23 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1ixm s PHE 152 CO -0.00 0.68 0.08 -1.01 -1.46 0.00 0.00 175.22 173.51 1ixm s HIS 153 N -0.95 -0.05 -0.05 10.12 3.76 -0.23 -2.46 115.29 125.43 1ixm s HIS 153 Ca 0.17 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1ixm s HIS 153 Cb -0.13 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.33 1ixm s HIS 153 CO 0.07 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 1ixm n GLY 154 N 4.46 -0.75 3.17 -2.22 0.00 -1.19 -0.32 105.19 108.33 1ixm n GLY 154 Ca -0.22 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1ixm n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixm s ALA 155 N -1.00 0.37 0.29 4.61 0.00 -1.26 -4.21 121.76 120.57 1ixm s ALA 155 Ca 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 50.96 1ixm s ALA 155 Cb 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1ixm s ALA 155 CO 0.00 -0.47 -0.07 -0.06 0.00 0.00 0.00 175.76 175.16 1ixm s PHE 156 N -3.95 2.51 0.00 0.00 0.08 -1.26 -1.01 117.98 114.35 1ixm s PHE 156 Ca 0.13 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1ixm s PHE 156 Cb 0.06 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 1ixm s PHE 156 CO -0.05 0.62 0.00 0.00 -0.10 0.00 0.00 175.22 175.68 1ixm n ALA 157 N -0.81 1.34 -3.28 5.36 0.00 0.43 -4.36 120.51 119.19 1ixm n ALA 157 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.93 1ixm n ALA 157 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1ixm n ALA 157 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ixm s ASP 158 N 0.90 6.92 0.58 0.00 3.84 -1.23 -4.84 116.67 122.84 1ixm s ASP 158 Ca 0.00 -2.89 0.28 0.00 -0.00 0.00 0.00 52.55 49.94 1ixm s ASP 158 Cb 0.00 -2.24 1.61 0.00 -1.38 0.00 0.00 42.92 40.92 1ixm s ASP 158 CO 0.00 -0.55 2.09 -0.65 -0.00 0.00 0.00 175.17 176.06 1ixm h PRO 159 N 7.55 0.00 -0.56 2.11 0.10 -1.91 -2.68 132.00 136.61 1ixm h PRO 159 Ca 0.14 0.00 0.16 0.00 0.10 0.00 0.00 66.00 66.40 1ixm h PRO 159 Cb 0.99 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.06 1ixm h PRO 159 CO 0.88 0.00 0.49 0.66 0.10 0.00 0.00 178.00 180.12 1ixm h SER 160 N 0.00 0.00 0.00 -2.05 4.64 -1.96 -3.09 113.55 111.09 1ixm h SER 160 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ixm h SER 160 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1ixm h SER 160 CO -0.00 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.11 1ixm n ALA 161 N -2.50 0.73 -2.82 5.18 0.00 -1.01 -5.19 120.51 114.91 1ixm n ALA 161 Ca 0.11 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 1ixm n ALA 161 Cb 0.71 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1ixm n ALA 161 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ixm s PHE 162 N -2.89 3.48 0.21 0.00 0.08 -1.17 -4.99 117.98 112.69 1ixm s PHE 162 Ca -0.00 0.22 -0.32 0.00 0.12 0.00 0.00 56.93 56.95 1ixm s PHE 162 Cb 0.01 -1.77 -0.12 0.00 -0.57 0.00 0.00 43.02 40.57 1ixm s PHE 162 CO 0.04 0.35 1.68 -3.47 -0.10 0.00 0.00 175.22 173.72 1ixm n ASP 174 N -1.09 3.83 -4.58 1.36 2.03 0.11 -5.15 116.55 113.05 1ixm n ASP 174 Ca -0.06 1.07 -0.42 0.00 0.52 0.00 0.00 54.79 55.91 1ixm n ASP 174 Cb 0.55 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 1ixm n ASP 174 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ixm s ILE 175 N 0.99 3.67 -2.15 5.18 1.10 -1.26 -1.72 121.20 127.00 1ixm s ILE 175 Ca 0.74 0.61 0.20 0.00 -0.51 0.00 0.00 60.65 61.70 1ixm s ILE 175 Cb -0.53 -4.09 0.50 0.00 0.15 0.00 0.00 42.46 38.49 1ixm s ILE 175 CO 0.35 -0.82 1.45 0.23 -2.11 0.00 0.00 174.94 174.04 1ixm n MET 176 N 8.53 2.34 -3.64 3.50 2.81 -0.10 -4.86 117.12 125.70 1ixm n MET 176 Ca 0.18 -2.07 -0.02 0.00 -1.81 0.00 0.00 57.70 53.98 1ixm n MET 176 Cb 0.49 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1ixm n MET 176 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1ixm s ARG 177 N -1.34 0.07 -0.30 0.03 3.00 -1.24 -4.81 118.95 114.37 1ixm s ARG 177 Ca 0.39 0.01 -0.13 0.00 -1.00 0.00 0.00 55.73 55.00 1ixm s ARG 177 Cb 0.21 0.03 0.14 0.00 0.00 0.00 0.00 34.95 35.34 1ixm s ARG 177 CO 0.28 -0.02 0.83 0.12 0.00 0.00 0.00 175.30 176.51 1ixm s PHE 178 N -1.10 -0.96 -0.38 5.12 2.19 -1.22 -2.35 117.98 119.28 1ixm s PHE 178 Ca 0.09 1.71 0.05 0.00 0.33 0.00 0.00 56.93 59.10 1ixm s PHE 178 Cb -0.01 0.57 0.16 0.00 -1.31 0.00 0.00 43.02 42.44 1ixm s PHE 178 CO -0.07 -0.48 0.46 -2.00 1.83 0.00 0.00 175.22 174.96 1ixm s GLU 179 N 2.41 0.70 -0.24 10.12 2.12 0.22 -4.97 118.70 129.07 1ixm s GLU 179 Ca -0.05 -0.66 -0.15 0.00 0.36 0.00 0.00 54.97 54.47 1ixm s GLU 179 Cb -0.08 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 1ixm s GLU 179 CO -0.18 -1.19 0.39 -1.50 -0.54 0.00 0.00 175.26 172.23 1ixm s ILE 180 N 1.58 5.18 0.00 -3.70 2.07 -1.26 -1.64 121.20 123.43 1ixm s ILE 180 Ca 0.17 0.64 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 1ixm s ILE 180 Cb -0.12 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.76 1ixm s ILE 180 CO -0.05 0.20 0.00 0.35 -1.91 0.00 0.00 174.94 173.53 1ixm n THR 181 N 4.75 0.00 0.07 4.00 -2.24 0.87 -4.97 114.28 116.76 1ixm n THR 181 Ca -0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 1ixm n THR 181 Cb 0.51 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 1ixm n THR 181 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ixm h SER 182 N 0.00 0.08 0.00 3.42 0.87 -1.97 -3.37 113.55 112.58 1ixm h SER 182 Ca 0.00 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1ixm h SER 182 Cb 0.00 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 61.83 1ixm h SER 182 CO 0.00 1.06 -0.55 1.41 -0.53 0.00 0.00 176.83 178.22 1ixm n HIS 183 N -3.39 0.00 -3.67 2.24 8.25 -1.26 -4.14 115.22 113.25 1ixm n HIS 183 Ca -0.02 -0.45 -0.14 0.00 -0.26 0.00 0.00 57.72 56.85 1ixm n HIS 183 Cb 0.95 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.88 1ixm n HIS 183 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1ixm s GLU 184 N -0.82 0.84 -0.25 -0.41 2.12 -1.25 -3.19 118.70 115.74 1ixm s GLU 184 Ca 0.18 -0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 1ixm s GLU 184 Cb 0.19 0.38 0.12 0.00 0.26 0.00 0.00 34.13 35.08 1ixm s GLU 184 CO -0.05 -0.26 0.50 0.00 -0.54 0.00 0.00 175.26 174.91 1ixm s LEU 186 N 2.71 2.81 -0.04 0.00 1.43 -0.65 -1.55 118.68 123.39 1ixm s LEU 186 Ca 0.03 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ixm s LEU 186 Cb -0.13 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1ixm s LEU 186 CO -0.16 0.12 -0.06 -0.63 0.23 0.00 0.00 176.35 175.85 1ixm s ILE 187 N 0.65 0.62 -0.05 -0.59 1.01 -1.07 -0.61 121.20 121.16 1ixm s ILE 187 Ca -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1ixm s ILE 187 Cb -0.15 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1ixm s ILE 187 CO 0.03 0.23 -0.21 -1.61 0.00 0.00 0.00 174.94 173.38 1ixm s GLU 188 N 0.71 2.49 -0.04 2.79 2.02 -0.99 -1.19 118.70 124.49 1ixm s GLU 188 Ca -0.10 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1ixm s GLU 188 Cb -0.13 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1ixm s GLU 188 CO 0.01 0.48 -0.04 0.42 0.02 0.00 0.00 175.26 176.15 1ixm s ILE 189 N -0.40 0.48 0.16 -1.63 1.01 -0.26 -0.92 121.20 119.64 1ixm s ILE 189 Ca 0.04 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.71 1ixm s ILE 189 Cb -0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1ixm s ILE 189 CO 0.02 0.22 -0.21 -0.83 0.00 0.00 0.00 174.94 174.14 1ixm s GLY 190 N 1.01 1.68 0.00 6.18 0.00 -0.70 -0.17 107.32 115.31 1ixm s GLY 190 Ca -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1ixm s GLY 190 CO -0.01 -1.50 0.16 1.04 0.00 0.00 0.00 173.10 172.79