#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xio n ASN 2 N 0.00 0.23 -0.15 6.12 0.23 -1.26 -4.87 115.26 115.56 1xio n ASN 2 Ca 0.00 -1.36 -0.11 0.00 -0.53 0.00 0.00 54.58 52.58 1xio n ASN 2 Cb 0.00 -0.51 -0.01 0.00 -2.08 0.00 0.00 39.78 37.18 1xio n ASN 2 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1xio h LEU 3 N 0.00 0.83 -0.42 -4.53 5.85 -2.03 -2.36 115.31 112.64 1xio h LEU 3 Ca -0.22 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1xio h LEU 3 Cb 0.66 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1xio h LEU 3 CO 0.18 1.00 0.27 -0.33 -0.34 0.00 0.00 178.44 179.21 1xio h GLU 4 N 0.65 0.57 -0.48 1.25 5.08 -1.95 0.70 114.58 120.39 1xio h GLU 4 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xio h GLU 4 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xio h GLU 4 CO 0.04 0.40 0.31 1.03 -1.00 0.00 0.00 179.01 179.79 1xio h SER 5 N 0.57 0.56 -0.26 1.42 0.87 -1.85 -0.78 113.55 114.08 1xio h SER 5 Ca 0.15 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1xio h SER 5 Cb -0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1xio h SER 5 CO -0.03 0.42 0.16 0.25 -0.53 0.00 0.00 176.83 177.10 1xio h LEU 6 N 0.65 0.26 -0.70 2.23 5.85 -0.98 -0.24 115.31 122.39 1xio h LEU 6 Ca 0.18 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1xio h LEU 6 Cb -0.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1xio h LEU 6 CO -0.04 0.19 0.44 -0.07 -0.34 0.00 0.00 178.44 178.62 1xio h LEU 7 N 0.32 0.72 -0.87 2.25 3.38 -0.54 -1.14 115.31 119.43 1xio h LEU 7 Ca 0.10 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xio h LEU 7 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1xio h LEU 7 CO -0.04 0.50 0.07 0.45 0.09 0.00 0.00 178.44 179.51 1xio h HIS 8 N 0.86 0.95 -0.42 1.13 3.86 -0.69 -0.94 115.15 119.91 1xio h HIS 8 Ca 0.28 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1xio h HIS 8 Cb 0.02 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1xio h HIS 8 CO -0.04 0.83 -0.14 -1.49 0.86 0.00 0.00 177.93 177.95 1xio h TRP 9 N 0.85 0.85 -0.40 2.45 -0.00 -0.48 -0.03 115.95 119.18 1xio h TRP 9 Ca 0.17 -0.16 -0.12 0.00 -0.00 0.00 0.00 58.89 58.78 1xio h TRP 9 Cb 0.41 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1xio h TRP 9 CO 0.02 0.86 -0.24 0.82 -0.00 0.00 0.00 178.44 179.91 1xio h ILE 10 N 0.69 1.27 -0.53 1.49 2.04 -0.93 -1.13 117.51 120.42 1xio h ILE 10 Ca 0.11 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1xio h ILE 10 Cb 0.63 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1xio h ILE 10 CO 0.04 0.46 0.20 0.22 0.00 0.00 0.00 178.15 179.07 1xio h TYR 11 N 0.71 0.81 -0.72 1.37 3.20 -0.77 -0.48 116.97 121.09 1xio h TYR 11 Ca 0.09 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1xio h TYR 11 Cb 0.77 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1xio h TYR 11 CO 0.04 0.67 0.46 0.28 -1.64 0.00 0.00 178.16 177.97 1xio h VAL 12 N 0.71 1.19 -0.36 1.81 2.07 -0.69 -0.17 116.25 120.82 1xio h VAL 12 Ca 0.17 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1xio h VAL 12 Cb 0.21 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xio h VAL 12 CO -0.01 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.84 1xio h ALA 13 N 1.52 0.48 -0.28 1.67 0.00 -0.61 -1.34 119.26 120.70 1xio h ALA 13 Ca 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xio h ALA 13 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xio h ALA 13 CO -0.05 0.18 0.13 0.78 0.00 0.00 0.00 179.25 180.29 1xio h GLY 14 N 0.44 0.37 0.91 0.00 0.00 -0.30 -1.26 103.07 103.23 1xio h GLY 14 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1xio h GLY 14 CO 0.01 0.07 0.43 -0.33 0.00 0.00 0.00 176.54 176.71 1xio h MET 15 N 0.28 0.83 -0.33 4.80 2.86 -0.90 -1.02 114.93 121.44 1xio h MET 15 Ca 0.12 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1xio h MET 15 Cb 0.05 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1xio h MET 15 CO -0.09 0.55 0.22 1.15 1.06 0.00 0.00 176.91 179.80 1xio h THR 16 N 0.85 1.08 -0.48 2.22 2.02 -0.81 0.17 112.91 117.97 1xio h THR 16 Ca 0.26 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1xio h THR 16 Cb -0.02 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1xio h THR 16 CO -0.09 0.08 0.19 0.40 0.37 0.00 0.00 175.52 176.47 1xio h ILE 17 N 0.45 1.21 -0.11 3.11 2.04 -1.03 -0.80 117.51 122.38 1xio h ILE 17 Ca 0.12 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1xio h ILE 17 Cb -0.05 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1xio h ILE 17 CO -0.03 0.25 0.04 1.23 0.00 0.00 0.00 178.15 179.64 1xio h GLY 18 N 0.64 0.14 0.87 5.37 0.00 -0.75 -0.98 103.07 108.35 1xio h GLY 18 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1xio h GLY 18 CO -0.01 0.02 0.23 0.00 0.00 0.00 0.00 176.54 176.79 1xio h ALA 19 N 1.07 0.53 -0.87 3.60 0.00 -0.46 -1.52 119.26 121.60 1xio h ALA 19 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xio h ALA 19 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1xio h ALA 19 CO -0.04 -0.10 0.57 -0.07 0.00 0.00 0.00 179.25 179.61 1xio h LEU 20 N 0.47 0.99 -0.21 0.00 3.38 -0.91 -0.94 115.31 118.09 1xio h LEU 20 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1xio h LEU 20 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xio h LEU 20 CO -0.09 0.71 0.02 -0.74 0.09 0.00 0.00 178.44 178.43 1xio h HIS 21 N 1.16 0.39 -0.27 1.13 2.76 -0.55 -0.93 115.15 118.84 1xio h HIS 21 Ca 0.32 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1xio h HIS 21 Cb -0.12 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 1xio h HIS 21 CO -0.00 0.53 -0.09 0.74 -1.30 0.00 0.00 177.93 177.81 1xio h PHE 22 N 0.14 0.47 -0.51 5.26 0.04 -0.98 -0.48 116.94 120.88 1xio h PHE 22 Ca 0.06 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1xio h PHE 22 Cb 0.36 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1xio h PHE 22 CO 0.03 0.53 0.09 2.35 -0.60 0.00 0.00 178.31 180.70 1xio h TRP 23 N 0.42 0.90 -0.64 -0.55 7.01 -0.99 -1.24 115.95 120.86 1xio h TRP 23 Ca 0.08 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 1xio h TRP 23 Cb 0.42 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1xio h TRP 23 CO 0.01 0.81 0.14 1.03 -2.79 0.00 0.00 178.44 177.65 1xio h SER 24 N 0.73 0.98 -0.41 2.65 0.87 -0.48 -2.63 113.55 115.25 1xio h SER 24 Ca 0.16 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1xio h SER 24 Cb 0.40 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1xio h SER 24 CO 0.01 0.96 0.12 -0.07 -0.53 0.00 0.00 176.83 177.32 1xio h LEU 25 N 0.95 0.67 -2.04 2.23 3.38 -0.85 -2.35 115.31 117.29 1xio h LEU 25 Ca 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xio h LEU 25 Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xio h LEU 25 CO 0.00 0.66 -0.09 0.77 0.09 0.00 0.00 178.44 179.88 1xio h SER 26 N 0.70 0.00 0.84 -0.43 4.64 -0.85 -1.47 113.55 116.98 1xio h SER 26 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1xio h SER 26 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xio h SER 26 CO -0.00 0.09 -0.09 0.03 -0.87 0.00 0.00 176.83 175.98 1xio h ARG 27 N 0.00 0.00 -2.06 4.77 2.47 -1.33 -3.21 114.38 115.03 1xio h ARG 27 Ca -0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 1xio h ARG 27 Cb 0.21 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.13 1xio h ARG 27 CO 0.01 0.09 -0.95 -1.71 0.56 0.00 0.00 179.97 177.97 1xio n ASN 28 N -3.27 1.39 -0.38 7.04 5.15 -0.57 -5.01 115.26 119.61 1xio n ASN 28 Ca -0.00 -2.96 0.31 0.00 -0.60 0.00 0.00 54.58 51.33 1xio n ASN 28 Cb 0.32 -0.64 0.58 0.00 -0.53 0.00 0.00 39.78 39.51 1xio n ASN 28 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xio h PRO 29 N 3.93 0.15 -6.29 1.20 0.13 -1.51 -3.47 132.00 126.14 1xio h PRO 29 Ca 0.11 -0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.76 1xio h PRO 29 Cb 0.81 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1xio h PRO 29 CO 0.58 0.10 -0.79 0.54 -0.23 0.00 0.00 178.00 178.21 1xio n ARG 30 N -4.90 -5.12 -0.47 0.86 1.74 -1.26 -2.25 116.66 105.26 1xio n ARG 30 Ca 0.35 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1xio n ARG 30 Cb 1.24 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1xio n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xio n GLY 31 N -1.67 0.74 3.67 -0.13 0.00 -1.26 -4.70 105.19 101.84 1xio n GLY 31 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1xio n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xio s VAL 32 N -2.90 5.01 0.54 1.61 1.01 -0.96 -5.05 120.40 119.67 1xio s VAL 32 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1xio s VAL 32 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1xio s VAL 32 CO 0.00 0.45 1.24 -2.16 0.00 0.00 0.00 175.10 174.63 1xio s PRO 33 N 0.40 3.22 0.41 2.72 0.04 -1.26 -4.81 135.00 135.72 1xio s PRO 33 Ca 0.05 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.11 1xio s PRO 33 Cb -0.12 -2.15 0.89 0.00 0.04 0.00 0.00 34.50 33.16 1xio s PRO 33 CO -0.00 -1.03 2.01 1.96 0.04 0.00 0.00 177.00 179.97 1xio h GLN 34 N 1.35 0.54 -0.28 4.56 1.08 -1.98 -2.53 115.11 117.85 1xio h GLN 34 Ca -0.50 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1xio h GLN 34 Cb 1.29 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1xio h GLN 34 CO 0.57 0.35 0.16 0.10 -0.95 0.00 0.00 178.83 179.06 1xio h TYR 35 N 0.55 0.36 -0.34 2.96 -0.00 -1.99 0.16 116.97 118.67 1xio h TYR 35 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.82 1xio h TYR 35 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.82 1xio h TYR 35 CO -0.00 0.25 -0.37 0.93 -0.00 0.00 0.00 178.16 178.96 1xio h GLU 36 N 0.38 0.79 -0.47 0.10 5.08 -1.83 -2.38 114.58 116.25 1xio h GLU 36 Ca 0.10 -0.40 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 1xio h GLU 36 Cb -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xio h GLU 36 CO -0.02 1.03 -0.19 1.88 -1.00 0.00 0.00 179.01 180.72 1xio h TYR 37 N 0.66 1.09 -0.77 4.33 0.05 -1.21 -2.20 116.97 118.91 1xio h TYR 37 Ca 0.06 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.54 1xio h TYR 37 Cb 0.93 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1xio h TYR 37 CO 0.05 1.06 0.32 -0.07 -1.05 0.00 0.00 178.16 178.47 1xio h LEU 38 N 0.79 1.05 -0.39 3.88 3.38 -0.63 -0.53 115.31 122.86 1xio h LEU 38 Ca 0.11 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1xio h LEU 38 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xio h LEU 38 CO 0.06 0.92 -0.36 0.58 0.09 0.00 0.00 178.44 179.74 1xio h VAL 39 N 1.10 1.27 -0.37 1.22 2.07 -1.42 -0.21 116.25 119.92 1xio h VAL 39 Ca 0.26 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1xio h VAL 39 Cb 0.19 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1xio h VAL 39 CO -0.02 0.51 0.25 0.00 0.02 0.00 0.00 177.57 178.32 1xio h ALA 40 N 0.78 1.75 0.06 1.67 0.00 -0.96 -2.11 119.26 120.45 1xio h ALA 40 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1xio h ALA 40 Cb 0.95 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.61 1xio h ALA 40 CO 0.09 0.22 -0.79 0.52 0.00 0.00 0.00 179.25 179.30 1xio h MET 41 N 0.48 0.43 -0.94 0.00 2.07 -0.78 -3.36 114.93 112.84 1xio h MET 41 Ca 0.14 -0.54 0.00 0.00 -2.07 0.00 0.00 59.70 57.23 1xio h MET 41 Cb -0.03 0.17 -0.05 0.00 -1.87 0.00 0.00 31.60 29.82 1xio h MET 41 CO -0.03 1.20 0.59 0.35 1.07 0.00 0.00 176.91 180.09 1xio h PHE 42 N -0.10 1.21 0.24 -0.22 3.57 -0.67 -3.02 116.94 117.95 1xio h PHE 42 Ca -0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1xio h PHE 42 Cb 1.52 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1xio h PHE 42 CO 0.15 0.78 -0.43 0.82 -2.23 0.00 0.00 178.31 177.40 1xio h ILE 43 N 1.28 0.14 0.00 1.41 2.04 -1.53 0.34 117.51 121.18 1xio h ILE 43 Ca 0.34 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.15 1xio h ILE 43 Cb -0.10 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1xio h ILE 43 CO -0.07 0.00 -0.23 1.55 0.00 0.00 0.00 178.15 179.40 1xio h PRO 44 N -0.75 0.00 -0.10 2.37 0.13 -1.72 -1.19 132.00 130.74 1xio h PRO 44 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1xio h PRO 44 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xio h PRO 44 CO -0.18 0.23 -0.09 0.82 -0.23 0.00 0.00 178.00 178.55 1xio h ILE 45 N 0.00 1.35 -0.49 -3.56 2.04 -1.33 0.23 117.51 115.75 1xio h ILE 45 Ca -0.00 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 1xio h ILE 45 Cb 0.51 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1xio h ILE 45 CO 0.03 0.35 0.21 -0.25 0.00 0.00 0.00 178.15 178.49 1xio h TRP 46 N -0.16 0.74 -0.47 1.37 2.91 -0.74 -0.89 115.95 118.71 1xio h TRP 46 Ca 0.02 -0.05 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 1xio h TRP 46 Cb 0.60 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 1xio h TRP 46 CO 0.08 0.61 -0.03 1.03 -1.03 0.00 0.00 178.44 179.11 1xio h SER 47 N 0.65 0.84 -0.70 2.65 0.87 -1.20 -1.89 113.55 114.77 1xio h SER 47 Ca 0.17 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1xio h SER 47 Cb 0.17 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1xio h SER 47 CO -0.02 0.96 0.32 1.23 -0.53 0.00 0.00 176.83 178.79 1xio h GLY 48 N 0.70 1.12 1.00 5.77 0.00 -0.33 -0.60 103.07 110.72 1xio h GLY 48 Ca 0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1xio h GLY 48 CO 0.03 0.53 0.00 1.41 0.00 0.00 0.00 176.54 178.52 1xio h LEU 49 N 1.03 0.84 -0.40 3.11 3.38 -0.98 0.78 115.31 123.07 1xio h LEU 49 Ca 0.25 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xio h LEU 49 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xio h LEU 49 CO -0.03 0.94 0.22 0.00 0.09 0.00 0.00 178.44 179.66 1xio h ALA 50 N 0.93 0.51 0.00 1.53 0.00 -0.95 -1.62 119.26 119.66 1xio h ALA 50 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1xio h ALA 50 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xio h ALA 50 CO 0.02 0.04 -0.50 1.88 0.00 0.00 0.00 179.25 180.70 1xio h TYR 51 N 0.51 0.00 -0.42 0.00 -1.99 -0.97 -2.60 116.97 111.51 1xio h TYR 51 Ca 0.14 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 1xio h TYR 51 Cb 0.06 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1xio h TYR 51 CO -0.02 0.50 -0.11 1.98 -0.00 0.00 0.00 178.16 180.51 1xio h MET 52 N 0.00 0.74 -0.75 4.88 4.05 -0.48 0.14 114.93 123.52 1xio h MET 52 Ca -0.00 -0.24 -0.06 0.00 -0.28 0.00 0.00 59.70 59.11 1xio h MET 52 Cb 0.91 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1xio h MET 52 CO 0.06 0.83 0.23 0.00 0.23 0.00 0.00 176.91 178.26 1xio h ALA 53 N 1.20 0.98 -0.17 0.39 0.00 -0.94 -1.47 119.26 119.25 1xio h ALA 53 Ca 0.12 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1xio h ALA 53 Cb 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xio h ALA 53 CO 0.04 0.66 -0.68 0.52 0.00 0.00 0.00 179.25 179.79 1xio h MET 54 N 1.11 0.68 -0.53 0.00 2.07 -1.11 -2.27 114.93 114.89 1xio h MET 54 Ca 0.24 -0.51 -0.00 0.00 -2.07 0.00 0.00 59.70 57.36 1xio h MET 54 Cb 0.31 0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.10 1xio h MET 54 CO -0.01 1.13 0.33 0.00 1.07 0.00 0.00 176.91 179.43 1xio h ALA 55 N 0.74 0.67 0.49 6.32 0.00 -0.51 -3.12 119.26 123.86 1xio h ALA 55 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xio h ALA 55 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xio h ALA 55 CO 0.13 0.14 -0.23 0.82 0.00 0.00 0.00 179.25 180.11 1xio h ILE 56 N 0.71 0.44 0.00 0.00 2.04 -1.28 -3.44 117.51 115.99 1xio h ILE 56 Ca 0.19 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xio h ILE 56 Cb -0.04 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1xio h ILE 56 CO -0.04 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.50 1xio n ASP 57 N -5.29 0.00 0.00 1.72 2.03 -0.86 -5.12 116.55 109.04 1xio n ASP 57 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1xio n ASP 57 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1xio n ASP 57 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1xio n ILE 67 N 0.00 0.00 -3.03 5.18 -5.35 -1.26 -4.93 119.36 109.98 1xio n ILE 67 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.16 1xio n ILE 67 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 1xio n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xio s ALA 68 N 0.00 3.32 -1.45 -1.28 0.00 -1.26 -4.17 121.76 116.92 1xio s ALA 68 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1xio s ALA 68 Cb 0.00 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1xio s ALA 68 CO 0.00 0.20 0.78 0.72 0.00 0.00 0.00 175.76 177.46 1xio n HIS 69 N -0.71 -2.01 -0.19 0.00 8.25 -1.26 -4.88 115.22 114.41 1xio n HIS 69 Ca 0.03 0.85 -0.04 0.00 -0.26 0.00 0.00 57.72 58.30 1xio n HIS 69 Cb 0.53 -3.99 0.06 0.00 1.12 0.00 0.00 29.99 27.72 1xio n HIS 69 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1xio h TYR 70 N -1.92 0.60 -0.12 4.41 3.20 -2.02 -2.23 116.97 118.89 1xio h TYR 70 Ca -0.60 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.33 1xio h TYR 70 Cb 1.37 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1xio h TYR 70 CO 0.53 0.32 0.25 0.00 -1.64 0.00 0.00 178.16 177.61 1xio h ALA 71 N 1.28 1.55 -0.36 1.82 0.00 -1.91 -0.56 119.26 121.09 1xio h ALA 71 Ca 0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1xio h ALA 71 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xio h ALA 71 CO -0.14 -0.31 0.03 -0.09 0.00 0.00 0.00 179.25 178.74 1xio h ARG 72 N 0.00 0.54 -0.04 0.00 2.43 -1.73 -0.54 114.38 115.04 1xio h ARG 72 Ca 0.06 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 1xio h ARG 72 Cb 0.55 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1xio h ARG 72 CO -0.00 0.55 -0.70 1.88 -1.51 0.00 0.00 179.97 180.19 1xio h TYR 73 N 0.52 0.28 0.00 2.20 0.05 -1.24 -2.29 116.97 116.50 1xio h TYR 73 Ca 0.12 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1xio h TYR 73 Cb 0.30 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1xio h TYR 73 CO 0.01 0.84 -0.43 0.82 -1.05 0.00 0.00 178.16 178.35 1xio h ILE 74 N 0.14 1.24 0.57 -2.88 1.08 -1.34 -0.79 117.51 115.53 1xio h ILE 74 Ca -0.02 -1.51 -0.03 0.00 -0.39 0.00 0.00 64.86 62.91 1xio h ILE 74 Cb 1.25 1.83 0.01 0.00 -3.07 0.00 0.00 36.82 36.83 1xio h ILE 74 CO 0.11 0.42 -0.27 -0.78 -0.69 0.00 0.00 178.15 176.94 1xio h ASP 75 N 0.00 -0.65 -0.74 1.72 3.58 -0.93 -3.26 116.42 116.14 1xio h ASP 75 Ca -0.00 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.55 1xio h ASP 75 Cb 0.80 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.96 1xio h ASP 75 CO 0.06 -0.26 0.49 -0.50 -2.88 0.00 0.00 179.24 176.15 1xio h TRP 76 N -1.13 0.58 -0.94 0.28 6.55 -1.26 -0.33 115.95 119.70 1xio h TRP 76 Ca -0.08 0.02 0.17 0.00 0.95 0.00 0.00 58.89 59.95 1xio h TRP 76 Cb 0.63 -0.18 -0.08 0.00 -0.86 0.00 0.00 29.16 28.66 1xio h TRP 76 CO 0.01 0.24 0.60 0.52 -1.05 0.00 0.00 178.44 178.76 1xio h MET 77 N 0.52 0.64 0.01 0.49 2.86 -1.18 -2.27 114.93 115.99 1xio h MET 77 Ca 0.36 -0.04 -0.42 0.00 -2.06 0.00 0.00 59.70 57.54 1xio h MET 77 Cb 0.68 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 1xio h MET 77 CO -0.12 0.42 -2.40 0.28 1.06 0.00 0.00 176.91 176.15 1xio n VAL 78 N -4.61 1.53 -0.07 -2.22 0.31 -0.66 -4.52 118.33 108.09 1xio n VAL 78 Ca 0.20 -0.44 -0.07 0.00 -0.01 0.00 0.00 64.34 64.02 1xio n VAL 78 Cb 0.55 -1.73 0.11 0.00 -0.91 0.00 0.00 33.84 31.86 1xio n VAL 78 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1xio h THR 79 N -0.60 1.27 -0.36 2.52 1.35 -1.10 -2.77 112.91 113.22 1xio h THR 79 Ca -0.62 -1.30 -0.05 0.00 -0.55 0.00 0.00 66.41 63.88 1xio h THR 79 Cb 1.71 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1xio h THR 79 CO -0.27 0.43 0.02 0.71 -0.25 0.00 0.00 175.52 176.17 1xio h THR 80 N 0.64 1.25 -0.10 6.82 1.35 -1.64 0.50 112.91 121.74 1xio h THR 80 Ca 0.09 -0.94 -0.09 0.00 -0.55 0.00 0.00 66.41 64.93 1xio h THR 80 Cb 0.71 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1xio h THR 80 CO 0.05 0.31 -0.34 1.55 -0.25 0.00 0.00 175.52 176.84 1xio h PRO 81 N 0.45 0.19 -0.31 4.72 0.13 -1.75 -2.15 132.00 133.28 1xio h PRO 81 Ca 0.11 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 65.05 1xio h PRO 81 Cb 0.43 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1xio h PRO 81 CO 0.01 0.51 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.96 1xio h LEU 82 N 0.16 0.64 -1.00 1.56 3.38 -1.18 -0.23 115.31 118.64 1xio h LEU 82 Ca 0.02 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1xio h LEU 82 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xio h LEU 82 CO 0.05 0.89 -0.17 -0.07 0.09 0.00 0.00 178.44 179.24 1xio h LEU 83 N 0.55 0.52 -0.58 1.67 3.38 -0.54 0.14 115.31 120.46 1xio h LEU 83 Ca 0.07 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1xio h LEU 83 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1xio h LEU 83 CO 0.06 0.71 -0.57 -0.07 0.09 0.00 0.00 178.44 178.66 1xio h LEU 84 N 0.48 0.48 -0.23 1.67 3.38 -0.99 -0.15 115.31 119.96 1xio h LEU 84 Ca 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xio h LEU 84 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xio h LEU 84 CO 0.04 0.95 0.11 0.25 0.09 0.00 0.00 178.44 179.87 1xio h LEU 85 N 0.32 0.30 -0.39 1.67 5.85 -0.34 0.16 115.31 122.87 1xio h LEU 85 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xio h LEU 85 Cb 1.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1xio h LEU 85 CO 0.10 0.34 0.25 -1.28 -0.34 0.00 0.00 178.44 177.51 1xio h SER 86 N 0.23 0.46 -0.80 1.25 0.87 -0.82 -0.91 113.55 113.83 1xio h SER 86 Ca 0.08 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1xio h SER 86 Cb 0.12 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1xio h SER 86 CO -0.01 0.35 0.39 0.25 -0.53 0.00 0.00 176.83 177.28 1xio h LEU 87 N 0.53 1.05 -0.54 2.23 5.85 -0.77 -2.53 115.31 121.12 1xio h LEU 87 Ca 0.14 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1xio h LEU 87 Cb -0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1xio h LEU 87 CO -0.03 0.88 0.06 0.28 -0.34 0.00 0.00 178.44 179.29 1xio h SER 88 N 1.14 0.89 -0.86 1.25 0.02 -0.26 -2.13 113.55 113.60 1xio h SER 88 Ca 0.28 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1xio h SER 88 Cb 0.11 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1xio h SER 88 CO -0.04 0.94 0.46 -0.50 -1.14 0.00 0.00 176.83 176.56 1xio h TRP 89 N 0.80 1.19 -0.27 3.45 6.55 -0.95 -1.82 115.95 124.90 1xio h TRP 89 Ca 0.16 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 1xio h TRP 89 Cb 0.45 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 1xio h TRP 89 CO 0.03 0.83 0.08 1.15 -1.05 0.00 0.00 178.44 179.48 1xio h THR 90 N 1.21 1.20 -0.18 1.49 2.02 -1.28 0.16 112.91 117.53 1xio h THR 90 Ca 0.30 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.86 1xio h THR 90 Cb 0.04 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1xio h THR 90 CO -0.05 0.22 0.13 0.00 0.37 0.00 0.00 175.52 176.19 1xio h ALA 91 N 0.91 2.10 -0.28 6.16 0.00 -0.96 -1.70 119.26 125.49 1xio h ALA 91 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1xio h ALA 91 Cb 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1xio h ALA 91 CO -0.00 -0.14 -0.17 -1.33 0.00 0.00 0.00 179.25 177.61 1xio n MET 92 N -4.49 1.80 -0.27 0.00 2.00 -0.72 -3.72 117.12 111.71 1xio n MET 92 Ca 0.01 -3.21 0.07 0.00 0.00 0.00 0.00 57.70 54.57 1xio n MET 92 Cb 0.22 -1.78 0.19 0.00 0.00 0.00 0.00 33.22 31.85 1xio n MET 92 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1xio h GLN 93 N 1.01 0.11 -0.44 0.03 5.75 0.28 -2.35 115.11 119.50 1xio h GLN 93 Ca 0.17 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1xio h GLN 93 Cb 1.52 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.04 1xio h GLN 93 CO 0.31 0.07 0.00 1.19 -2.65 0.00 0.00 178.83 177.75 1xio n PHE 94 N -5.34 1.30 -4.38 3.99 3.72 -1.26 -5.00 117.46 110.49 1xio n PHE 94 Ca 0.15 -0.73 -0.21 0.00 -0.05 0.00 0.00 57.45 56.61 1xio n PHE 94 Cb 0.52 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1xio n PHE 94 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1xio n ILE 95 N 0.27 0.00 -2.19 4.37 -5.35 -0.88 -5.12 119.36 110.46 1xio n ILE 95 Ca 0.23 -2.18 -0.41 0.00 -0.27 0.00 0.00 62.75 60.12 1xio n ILE 95 Cb 0.91 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.69 1xio n ILE 95 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1xio s LYS 96 N -3.34 4.40 -0.09 6.28 2.20 -1.26 -4.96 119.74 122.97 1xio s LYS 96 Ca 0.25 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 1xio s LYS 96 Cb 0.01 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 1xio s LYS 96 CO 0.18 -0.18 1.26 0.15 -0.36 0.00 0.00 175.35 176.40 1xio s LYS 97 N -1.04 4.29 -1.02 4.03 3.01 -1.26 -4.95 119.74 122.80 1xio s LYS 97 Ca 0.52 1.72 -0.20 0.00 -1.01 0.00 0.00 55.97 57.00 1xio s LYS 97 Cb -0.38 -3.65 0.09 0.00 -1.01 0.00 0.00 37.83 32.89 1xio s LYS 97 CO 0.45 -0.57 1.34 0.34 0.51 0.00 0.00 175.35 177.42 1xio s ASP 98 N 1.77 6.62 0.50 2.83 -1.08 -1.26 -4.85 116.67 121.20 1xio s ASP 98 Ca 0.57 -1.88 0.26 0.00 -0.52 0.00 0.00 52.55 50.98 1xio s ASP 98 Cb -0.25 -2.49 1.35 0.00 -1.46 0.00 0.00 42.92 40.07 1xio s ASP 98 CO 0.20 -1.25 2.03 -0.50 0.52 0.00 0.00 175.17 176.18 1xio h TRP 99 N 9.05 0.00 -0.36 -5.34 4.06 -1.99 -2.34 115.95 119.03 1xio h TRP 99 Ca 0.21 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.00 1xio h TRP 99 Cb 1.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 1xio h TRP 99 CO 1.23 0.14 -0.41 1.79 -3.56 0.00 0.00 178.44 177.63 1xio h THR 100 N 0.00 1.27 -0.51 1.49 1.35 -1.99 -0.51 112.91 114.01 1xio h THR 100 Ca -0.00 -1.59 -0.09 0.00 -0.55 0.00 0.00 66.41 64.18 1xio h THR 100 Cb 0.39 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 1xio h THR 100 CO 0.02 0.53 -0.05 0.25 -0.25 0.00 0.00 175.52 176.02 1xio h LEU 101 N 0.72 0.93 -0.56 3.87 5.85 -1.91 -1.34 115.31 122.87 1xio h LEU 101 Ca 0.05 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1xio h LEU 101 Cb 1.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1xio h LEU 101 CO 0.10 1.04 0.25 0.40 -0.34 0.00 0.00 178.44 179.89 1xio h ILE 102 N 0.80 1.21 -0.62 4.05 2.04 -1.29 -1.75 117.51 121.96 1xio h ILE 102 Ca 0.14 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1xio h ILE 102 Cb 0.59 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1xio h ILE 102 CO 0.04 0.25 0.18 1.23 0.00 0.00 0.00 178.15 179.85 1xio h GLY 103 N 0.77 1.05 0.75 5.37 0.00 -0.92 -0.64 103.07 109.45 1xio h GLY 103 Ca 0.19 -0.63 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1xio h GLY 103 CO -0.02 0.59 -0.12 -2.75 0.00 0.00 0.00 176.54 174.24 1xio h PHE 104 N 0.90 -0.30 -0.38 5.60 3.57 -0.96 0.29 116.94 125.65 1xio h PHE 104 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xio h PHE 104 Cb 0.31 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1xio h PHE 104 CO 0.02 -0.18 0.23 -0.07 -2.23 0.00 0.00 178.31 176.09 1xio h LEU 105 N -0.22 0.46 -0.26 0.59 3.38 -1.14 -0.55 115.31 117.56 1xio h LEU 105 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xio h LEU 105 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xio h LEU 105 CO -0.09 0.38 0.12 0.24 0.09 0.00 0.00 178.44 179.17 1xio h MET 106 N 0.50 0.38 -0.48 1.13 2.86 -0.86 -1.03 114.93 117.45 1xio h MET 106 Ca 0.14 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1xio h MET 106 Cb -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1xio h MET 106 CO -0.03 0.38 -0.08 0.77 1.06 0.00 0.00 176.91 179.02 1xio h SER 107 N 0.29 0.90 -0.86 1.22 0.02 -0.87 -2.10 113.55 112.15 1xio h SER 107 Ca 0.09 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1xio h SER 107 Cb 0.13 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1xio h SER 107 CO -0.01 1.03 0.48 0.74 -1.14 0.00 0.00 176.83 177.94 1xio h THR 108 N 0.75 1.25 -0.23 -2.27 2.02 -0.99 -1.92 112.91 111.51 1xio h THR 108 Ca 0.13 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 1xio h THR 108 Cb 0.62 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1xio h THR 108 CO 0.04 0.27 -0.20 -0.61 0.37 0.00 0.00 175.52 175.40 1xio h GLN 109 N 1.20 0.42 -0.27 6.66 -0.00 -0.94 -2.10 115.11 120.08 1xio h GLN 109 Ca 0.30 -0.13 -0.06 0.00 -0.00 0.00 0.00 58.65 58.76 1xio h GLN 109 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 1xio h GLN 109 CO -0.05 0.60 -0.10 0.82 0.00 0.00 0.00 178.83 180.10 1xio h ILE 110 N 0.38 1.21 -0.46 2.39 2.04 -0.68 -1.24 117.51 121.15 1xio h ILE 110 Ca 0.06 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1xio h ILE 110 Cb 0.56 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1xio h ILE 110 CO 0.04 0.30 0.08 0.58 0.00 0.00 0.00 178.15 179.15 1xio h VAL 111 N 0.41 1.21 0.21 1.67 2.07 -0.72 0.06 116.25 121.17 1xio h VAL 111 Ca 0.08 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xio h VAL 111 Cb 0.43 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xio h VAL 111 CO 0.02 0.29 -0.10 0.58 0.02 0.00 0.00 177.57 178.38 1xio h VAL 112 N 0.68 0.79 -0.15 2.57 2.07 -0.86 -0.39 116.25 120.97 1xio h VAL 112 Ca 0.15 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xio h VAL 112 Cb 0.30 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1xio h VAL 112 CO 0.00 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.07 1xio h ILE 113 N -0.29 1.12 -0.53 4.57 1.08 -1.07 -1.34 117.51 121.05 1xio h ILE 113 Ca -0.03 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1xio h ILE 113 Cb 0.23 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1xio h ILE 113 CO 0.05 0.11 0.24 0.71 -0.69 0.00 0.00 178.15 178.57 1xio h THR 114 N 0.12 1.18 -0.52 -0.27 1.35 -0.94 -0.45 112.91 113.38 1xio h THR 114 Ca 0.05 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 65.30 1xio h THR 114 Cb 0.11 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 1xio h THR 114 CO -0.01 0.21 -0.01 0.28 -0.25 0.00 0.00 175.52 175.75 1xio h SER 115 N 0.74 0.85 -0.39 5.36 0.02 -0.83 -1.34 113.55 117.97 1xio h SER 115 Ca 0.18 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1xio h SER 115 Cb 0.10 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1xio h SER 115 CO -0.02 0.92 0.09 1.23 -1.14 0.00 0.00 176.83 177.91 1xio h GLY 116 N 0.99 0.67 0.91 -3.77 0.00 -0.07 -1.57 103.07 100.24 1xio h GLY 116 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1xio h GLY 116 CO 0.02 0.40 0.11 -2.00 0.00 0.00 0.00 176.54 175.07 1xio h LEU 117 N 0.49 0.46 -0.80 3.11 5.85 -0.93 -1.47 115.31 122.02 1xio h LEU 117 Ca 0.12 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1xio h LEU 117 Cb 0.31 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1xio h LEU 117 CO 0.00 0.53 0.52 0.40 -0.34 0.00 0.00 178.44 179.55 1xio h ILE 118 N 0.37 1.18 -0.56 4.05 2.04 -1.19 0.11 117.51 123.51 1xio h ILE 118 Ca 0.10 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1xio h ILE 118 Cb 0.22 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1xio h ILE 118 CO -0.01 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.69 1xio h ALA 119 N 1.31 0.72 0.00 1.87 0.00 -1.03 0.11 119.26 122.24 1xio h ALA 119 Ca 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1xio h ALA 119 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xio h ALA 119 CO -0.08 0.10 -0.31 0.22 0.00 0.00 0.00 179.25 179.19 1xio h ASP 120 N 0.71 0.00 0.51 0.00 3.58 -0.50 -2.29 116.42 118.43 1xio h ASP 120 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1xio h ASP 120 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1xio h ASP 120 CO -0.07 0.31 -0.26 0.18 -2.88 0.00 0.00 179.24 176.52 1xio n LEU 121 N -3.76 0.49 -4.75 2.28 4.77 0.31 -4.91 117.00 111.44 1xio n LEU 121 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1xio n LEU 121 Cb 0.40 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1xio n LEU 121 CO 0.36 0.10 0.81 -0.44 -1.33 0.00 0.00 177.39 176.89 1xio s SER 122 N -2.76 7.24 -0.00 -1.43 0.01 -0.07 -4.96 113.70 111.72 1xio s SER 122 Ca 0.19 2.21 0.07 0.00 1.31 0.00 0.00 55.95 59.72 1xio s SER 122 Cb 0.19 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.56 1xio s SER 122 CO 0.57 -0.20 0.81 -0.08 0.41 0.00 0.00 173.24 174.75 1xio h GLU 123 N 4.46 0.07 -5.57 12.44 4.81 -1.91 -3.46 114.58 125.42 1xio h GLU 123 Ca -0.46 -0.12 -0.59 0.00 -0.13 0.00 0.00 59.36 58.07 1xio h GLU 123 Cb 1.21 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.54 1xio h GLU 123 CO 0.70 0.78 -0.21 1.03 -0.73 0.00 0.00 179.01 180.58 1xio s ARG 124 N -2.62 4.27 0.23 1.92 0.52 -1.26 -5.00 118.95 117.01 1xio s ARG 124 Ca -0.06 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.36 1xio s ARG 124 Cb 0.08 -3.46 0.33 0.00 0.52 0.00 0.00 34.95 32.42 1xio s ARG 124 CO 0.82 0.13 1.80 -0.44 0.02 0.00 0.00 175.30 177.63 1xio h ASP 125 N 6.88 0.57 0.11 0.23 5.19 -1.99 0.93 116.42 128.34 1xio h ASP 125 Ca -0.40 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 55.99 1xio h ASP 125 Cb 1.17 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1xio h ASP 125 CO 0.75 0.34 -0.24 4.11 -3.12 0.00 0.00 179.24 181.08 1xio h TRP 126 N 0.70 0.25 -0.11 4.55 5.08 -1.99 -0.84 115.95 123.60 1xio h TRP 126 Ca 0.35 -0.04 -0.09 0.00 1.08 0.00 0.00 58.89 60.19 1xio h TRP 126 Cb 0.30 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1xio h TRP 126 CO -0.08 0.46 -0.29 0.28 -1.28 0.00 0.00 178.44 177.53 1xio h VAL 127 N 0.21 1.39 -0.33 0.12 2.07 -1.79 -2.13 116.25 115.79 1xio h VAL 127 Ca 0.03 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 66.01 1xio h VAL 127 Cb 0.55 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1xio h VAL 127 CO 0.04 0.47 0.00 -0.09 0.02 0.00 0.00 177.57 178.01 1xio h ARG 128 N -0.04 0.10 0.00 1.57 2.43 -0.51 -1.96 114.38 115.97 1xio h ARG 128 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1xio h ARG 128 Cb 0.90 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1xio h ARG 128 CO 0.06 0.06 -0.46 1.88 -1.51 0.00 0.00 179.97 180.01 1xio h TYR 129 N 0.10 0.00 -0.40 2.20 0.05 -1.19 -1.79 116.97 115.94 1xio h TYR 129 Ca 0.16 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 1xio h TYR 129 Cb 0.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1xio h TYR 129 CO -0.23 0.46 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.20 1xio h LEU 130 N 0.00 0.75 -1.07 3.88 3.38 -0.85 -0.14 115.31 121.27 1xio h LEU 130 Ca -0.00 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1xio h LEU 130 Cb 0.94 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1xio h LEU 130 CO 0.06 0.92 -0.11 -0.50 0.09 0.00 0.00 178.44 178.90 1xio h TRP 131 N 0.57 0.57 -0.12 1.13 4.06 -1.20 0.59 115.95 121.55 1xio h TRP 131 Ca 0.10 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1xio h TRP 131 Cb 0.58 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1xio h TRP 131 CO 0.05 0.63 0.08 -0.92 -3.56 0.00 0.00 178.44 174.71 1xio h TYR 132 N 0.49 0.16 -0.98 0.49 3.20 -0.96 -0.33 116.97 119.04 1xio h TYR 132 Ca 0.09 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1xio h TYR 132 Cb 0.49 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1xio h TYR 132 CO 0.02 0.13 0.64 0.82 -1.64 0.00 0.00 178.16 178.13 1xio h ILE 133 N 0.14 1.17 -0.52 1.81 1.08 -0.44 -0.57 117.51 120.18 1xio h ILE 133 Ca 0.04 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1xio h ILE 133 Cb 0.02 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 33.56 1xio h ILE 133 CO -0.01 0.23 0.32 0.00 -0.69 0.00 0.00 178.15 178.00 1xio h GLY 135 N 0.70 0.69 1.01 0.00 0.00 -0.01 -1.69 103.07 103.77 1xio h GLY 135 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1xio h GLY 135 CO -0.04 0.27 0.63 -2.08 0.00 0.00 0.00 176.54 175.32 1xio h VAL 136 N 0.64 1.25 -0.54 4.60 2.07 -0.73 0.12 116.25 123.66 1xio h VAL 136 Ca 0.17 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1xio h VAL 136 Cb -0.03 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.56 1xio h VAL 136 CO -0.03 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.03 1xio h ALA 138 N 1.08 1.19 -0.56 0.00 0.00 -0.63 -1.94 119.26 118.40 1xio h ALA 138 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1xio h ALA 138 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xio h ALA 138 CO -0.02 0.52 -0.02 0.35 0.00 0.00 0.00 179.25 180.08 1xio h PHE 139 N 0.53 1.07 -0.31 0.00 3.57 -0.13 -1.74 116.94 119.93 1xio h PHE 139 Ca 0.10 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.35 1xio h PHE 139 Cb 0.51 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1xio h PHE 139 CO 0.02 0.97 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.94 1xio h LEU 140 N 0.90 0.48 -0.74 0.59 3.38 -0.10 -0.20 115.31 119.61 1xio h LEU 140 Ca 0.16 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1xio h LEU 140 Cb 0.56 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1xio h LEU 140 CO 0.03 0.59 0.01 0.40 0.09 0.00 0.00 178.44 179.56 1xio h ILE 141 N 0.47 1.26 -0.11 1.22 2.04 -0.87 0.01 117.51 121.53 1xio h ILE 141 Ca 0.10 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1xio h ILE 141 Cb 0.40 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1xio h ILE 141 CO 0.02 0.39 0.06 0.40 0.00 0.00 0.00 178.15 179.02 1xio h ILE 142 N 0.90 1.10 -0.87 -0.67 1.08 -0.40 -0.14 117.51 118.51 1xio h ILE 142 Ca 0.17 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1xio h ILE 142 Cb 0.51 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 1xio h ILE 142 CO 0.02 0.09 0.56 -0.07 -0.69 0.00 0.00 178.15 178.07 1xio h LEU 143 N 0.08 1.01 -0.47 1.44 3.38 -0.77 -1.38 115.31 118.59 1xio h LEU 143 Ca 0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xio h LEU 143 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xio h LEU 143 CO -0.01 0.74 0.30 -0.25 0.09 0.00 0.00 178.44 179.32 1xio h TRP 144 N 1.18 0.57 -0.16 1.13 7.01 -0.72 -2.24 115.95 122.73 1xio h TRP 144 Ca 0.32 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.35 1xio h TRP 144 Cb -0.11 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 1xio h TRP 144 CO -0.01 0.35 0.06 0.78 -2.79 0.00 0.00 178.44 176.83 1xio h GLY 145 N 0.62 0.19 2.00 2.65 0.00 -0.13 -1.03 103.07 107.37 1xio h GLY 145 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1xio h GLY 145 CO -0.05 0.02 0.00 0.16 0.00 0.00 0.00 176.54 176.67 1xio h ILE 146 N 0.13 0.00 0.00 2.60 3.07 -1.20 -1.68 117.51 120.44 1xio h ILE 146 Ca 0.07 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1xio h ILE 146 Cb 0.04 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1xio h ILE 146 CO -0.07 0.00 -1.06 0.79 -1.05 0.00 0.00 178.15 176.76 1xio n TRP 147 N -2.65 0.02 0.00 0.16 7.02 -0.85 -3.40 117.44 117.74 1xio n TRP 147 Ca 0.02 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1xio n TRP 147 Cb 0.33 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 1xio n TRP 147 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xio n ASN 148 N -1.62 0.00 -0.35 -0.99 3.02 -0.42 -4.56 115.26 110.34 1xio n ASN 148 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1xio n ASN 148 Cb 0.36 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.67 1xio n ASN 148 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xio h PRO 149 N 0.00 1.27 -0.16 3.52 0.13 -1.73 0.25 132.00 135.29 1xio h PRO 149 Ca 0.00 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 1xio h PRO 149 Cb 0.00 -0.29 0.00 0.00 0.13 0.00 0.00 31.00 30.85 1xio h PRO 149 CO 0.00 0.85 -0.34 1.25 -0.23 0.00 0.00 178.00 179.53 1xio h LEU 150 N 1.31 0.57 -1.10 1.56 5.85 -1.55 -3.06 115.31 118.89 1xio h LEU 150 Ca 0.35 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1xio h LEU 150 Cb -0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1xio h LEU 150 CO -0.08 1.02 0.09 -0.09 -0.34 0.00 0.00 178.44 179.04 1xio h ARG 151 N 0.13 0.73 -0.22 1.25 2.43 -1.50 -2.45 114.38 114.74 1xio h ARG 151 Ca 0.00 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1xio h ARG 151 Cb 0.94 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1xio h ARG 151 CO 0.07 0.68 0.05 0.00 -1.51 0.00 0.00 179.97 179.27 1xio h ALA 152 N 1.40 1.68 -0.97 2.80 0.00 -0.47 -2.25 119.26 121.45 1xio h ALA 152 Ca 0.15 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1xio h ALA 152 Cb 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1xio h ALA 152 CO 0.00 0.25 0.62 0.87 0.00 0.00 0.00 179.25 180.99 1xio h LYS 153 N 0.31 1.05 -0.06 0.00 1.79 -1.34 -1.89 116.57 116.44 1xio h LYS 153 Ca 0.08 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1xio h LYS 153 Cb 0.13 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1xio h LYS 153 CO -0.00 0.70 -0.31 1.79 -1.08 0.00 0.00 179.45 180.54 1xio h THR 154 N 1.08 1.25 0.00 -0.16 1.35 -1.48 -2.48 112.91 112.46 1xio h THR 154 Ca 0.44 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1xio h THR 154 Cb 0.25 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1xio h THR 154 CO -0.20 0.34 0.00 0.54 -0.25 0.00 0.00 175.52 175.95 1xio n ARG 155 N -4.14 0.04 -0.14 4.72 3.00 -0.71 -0.62 116.66 118.81 1xio n ARG 155 Ca -0.02 0.36 0.11 0.00 -0.01 0.00 0.00 57.85 58.29 1xio n ARG 155 Cb 0.38 -1.59 0.28 0.00 0.00 0.00 0.00 32.46 31.53 1xio n ARG 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xio n THR 156 N -1.67 0.37 -4.10 0.55 -2.24 -0.93 -4.92 114.28 101.33 1xio n THR 156 Ca 0.02 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1xio n THR 156 Cb 0.13 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1xio n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xio n GLN 157 N 0.97 1.41 -1.24 -0.78 6.02 0.21 -5.12 117.38 118.84 1xio n GLN 157 Ca 0.18 -0.55 -0.35 0.00 -0.01 0.00 0.00 57.00 56.26 1xio n GLN 157 Cb 0.48 0.21 0.10 0.00 1.02 0.00 0.00 30.24 32.06 1xio n GLN 157 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xio n SER 158 N -1.45 0.56 0.23 1.08 3.41 -1.26 -4.85 113.62 111.34 1xio n SER 158 Ca -0.02 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1xio n SER 158 Cb 0.10 -1.44 0.48 0.00 -0.26 0.00 0.00 64.21 63.09 1xio n SER 158 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xio h SER 159 N -0.55 0.00 -0.12 4.04 4.64 -1.97 -2.36 113.55 117.23 1xio h SER 159 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1xio h SER 159 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1xio h SER 159 CO 0.46 0.21 0.05 -0.33 -0.87 0.00 0.00 176.83 176.35 1xio h GLU 160 N 0.00 0.17 -0.28 4.77 3.07 -1.97 0.02 114.58 120.37 1xio h GLU 160 Ca -0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1xio h GLU 160 Cb 0.73 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1xio h GLU 160 CO 0.03 0.25 0.11 1.25 -1.40 0.00 0.00 179.01 179.25 1xio h LEU 161 N 0.06 0.38 -0.81 1.33 5.85 -1.87 -1.98 115.31 118.26 1xio h LEU 161 Ca 0.04 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1xio h LEU 161 Cb 0.14 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1xio h LEU 161 CO -0.00 0.44 0.47 0.00 -0.34 0.00 0.00 178.44 179.01 1xio h ALA 162 N 0.96 1.15 -0.32 1.25 0.00 -1.26 0.12 119.26 121.15 1xio h ALA 162 Ca 0.09 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1xio h ALA 162 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xio h ALA 162 CO -0.01 0.12 -0.35 -0.91 0.00 0.00 0.00 179.25 178.10 1xio h ASN 163 N 0.81 0.77 -0.23 0.00 2.35 -0.79 -2.02 115.58 116.46 1xio h ASN 163 Ca 0.38 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1xio h ASN 163 Cb 0.32 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1xio h ASN 163 CO -0.23 1.05 0.00 0.25 -1.65 0.00 0.00 177.43 176.85 1xio h LEU 164 N 0.61 0.39 -0.60 1.61 5.85 -0.58 -2.93 115.31 119.67 1xio h LEU 164 Ca 0.06 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1xio h LEU 164 Cb 0.88 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1xio h LEU 164 CO 0.08 0.60 0.35 0.22 -0.34 0.00 0.00 178.44 179.35 1xio h TYR 165 N 0.18 0.64 -0.90 1.25 3.20 -0.72 -1.79 116.97 118.83 1xio h TYR 165 Ca 0.07 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.03 1xio h TYR 165 Cb 0.40 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1xio h TYR 165 CO 0.03 0.34 0.58 -0.44 -1.64 0.00 0.00 178.16 177.04 1xio h ASP 166 N 0.67 0.86 -0.23 -2.11 3.32 -1.27 0.24 116.42 117.91 1xio h ASP 166 Ca 0.25 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.11 1xio h ASP 166 Cb 0.08 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1xio h ASP 166 CO -0.13 0.53 -0.65 0.11 -1.72 0.00 0.00 179.24 177.38 1xio h LYS 167 N 0.97 0.84 -0.20 3.56 1.57 -1.28 -2.52 116.57 119.51 1xio h LYS 167 Ca 0.40 -0.60 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1xio h LYS 167 Cb 0.29 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xio h LYS 167 CO -0.16 1.22 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.74 1xio h LEU 168 N 0.61 0.46 -1.55 2.94 3.38 -0.55 -2.08 115.31 118.51 1xio h LEU 168 Ca -0.02 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1xio h LEU 168 Cb 1.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1xio h LEU 168 CO 0.14 0.80 -0.23 1.62 0.09 0.00 0.00 178.44 180.85 1xio h VAL 169 N 0.12 1.05 -0.13 1.22 3.04 -0.62 0.31 116.25 121.25 1xio h VAL 169 Ca 0.04 -0.84 -0.06 0.00 -1.01 0.00 0.00 66.70 64.83 1xio h VAL 169 Cb 0.64 1.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1xio h VAL 169 CO 0.04 0.23 -0.15 0.74 -1.01 0.00 0.00 177.57 177.42 1xio h THR 170 N 0.00 1.35 -0.59 3.17 2.02 -1.33 0.37 112.91 117.90 1xio h THR 170 Ca -0.00 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1xio h THR 170 Cb 0.45 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1xio h THR 170 CO 0.03 0.39 0.28 0.22 0.37 0.00 0.00 175.52 176.81 1xio h TYR 171 N -0.05 0.86 0.20 3.16 3.20 -0.93 -1.78 116.97 121.62 1xio h TYR 171 Ca 0.02 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1xio h TYR 171 Cb 0.69 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1xio h TYR 171 CO 0.09 0.66 -0.19 0.35 -1.64 0.00 0.00 178.16 177.42 1xio h PHE 172 N 0.81 -0.51 -0.39 -3.82 3.57 -0.28 -2.83 116.94 113.49 1xio h PHE 172 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1xio h PHE 172 Cb 0.13 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1xio h PHE 172 CO 0.00 -0.29 0.26 1.15 -2.23 0.00 0.00 178.31 177.20 1xio h THR 173 N -0.42 1.10 0.08 4.41 2.02 -0.76 -2.10 112.91 117.25 1xio h THR 173 Ca 0.00 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1xio h THR 173 Cb 0.40 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1xio h THR 173 CO -0.05 0.10 -0.18 0.58 0.37 0.00 0.00 175.52 176.34 1xio h VAL 174 N 0.53 0.59 -0.49 3.16 2.07 -1.29 -1.85 116.25 118.98 1xio h VAL 174 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1xio h VAL 174 Cb -0.06 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1xio h VAL 174 CO -0.03 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.73 1xio h LEU 175 N -0.33 0.64 -1.43 2.57 3.38 -1.45 -2.88 115.31 115.80 1xio h LEU 175 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xio h LEU 175 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xio h LEU 175 CO -0.11 0.58 0.25 -0.50 0.09 0.00 0.00 178.44 178.75 1xio h TRP 176 N 0.65 0.62 0.00 1.13 4.06 -1.25 -1.50 115.95 119.65 1xio h TRP 176 Ca 0.17 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.07 1xio h TRP 176 Cb 0.11 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1xio h TRP 176 CO -0.01 0.44 -0.21 0.82 -3.56 0.00 0.00 178.44 175.92 1xio h ILE 177 N 0.65 1.06 0.00 1.49 2.04 -1.12 -2.70 117.51 118.92 1xio h ILE 177 Ca 0.17 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1xio h ILE 177 Cb 0.03 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1xio h ILE 177 CO -0.03 0.20 -0.26 1.23 0.00 0.00 0.00 178.15 179.29 1xio h GLY 178 N 0.70 0.00 1.00 5.37 0.00 -1.20 -3.25 103.07 105.70 1xio h GLY 178 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xio h GLY 178 CO 0.03 0.00 -0.19 -0.97 0.00 0.00 0.00 176.54 175.41 1xio h TYR 179 N 0.00 -0.48 0.00 5.60 0.05 -1.53 -0.53 116.97 120.07 1xio h TYR 179 Ca -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1xio h TYR 179 Cb 0.48 0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 1xio h TYR 179 CO 0.00 -0.30 -0.07 -1.00 -1.05 0.00 0.00 178.16 175.74 1xio h PRO 180 N -0.53 0.00 0.02 4.88 0.13 -1.73 -1.55 132.00 133.23 1xio h PRO 180 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1xio h PRO 180 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1xio h PRO 180 CO 0.09 0.07 -0.01 0.82 -0.23 0.00 0.00 178.00 178.74 1xio h ILE 181 N 0.00 1.42 -0.74 -3.56 2.04 -1.47 -2.40 117.51 112.80 1xio h ILE 181 Ca -0.00 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 1xio h ILE 181 Cb 0.27 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1xio h ILE 181 CO 0.01 0.35 0.32 0.58 0.00 0.00 0.00 178.15 179.41 1xio h VAL 182 N -0.64 1.24 -0.04 1.67 2.07 -0.88 -2.03 116.25 117.65 1xio h VAL 182 Ca -0.00 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xio h VAL 182 Cb 0.60 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1xio h VAL 182 CO 0.00 0.30 -0.00 -0.25 0.02 0.00 0.00 177.57 177.64 1xio h TRP 183 N 1.05 -0.01 0.00 1.57 7.01 -1.33 -1.29 115.95 122.96 1xio h TRP 183 Ca 0.25 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.16 1xio h TRP 183 Cb 0.16 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1xio h TRP 183 CO 0.01 -0.01 -0.46 0.97 -2.79 0.00 0.00 178.44 176.17 1xio h ILE 184 N 0.01 1.17 0.00 2.65 6.09 -1.22 -3.00 117.51 123.21 1xio h ILE 184 Ca 0.02 -1.68 0.00 0.00 -1.37 0.00 0.00 64.86 61.83 1xio h ILE 184 Cb 0.02 1.95 0.00 0.00 0.47 0.00 0.00 36.82 39.26 1xio h ILE 184 CO -0.03 0.45 -0.66 0.16 -3.07 0.00 0.00 178.15 175.01 1xio h ILE 185 N 0.00 0.00 -2.35 2.19 3.07 -1.27 0.27 117.51 119.41 1xio h ILE 185 Ca -0.00 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1xio h ILE 185 Cb 0.91 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1xio h ILE 185 CO 0.06 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.77 1xio n GLY 186 N 1.25 -0.25 0.34 0.16 0.00 -0.50 0.75 105.19 106.94 1xio n GLY 186 Ca 0.02 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.43 1xio n GLY 186 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xio h PRO 187 N 0.00 0.00 0.00 1.61 0.11 -1.81 0.19 132.00 132.10 1xio h PRO 187 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xio h PRO 187 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xio h PRO 187 CO 0.00 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.56 1xio h SER 188 N 0.00 0.00 0.00 -2.05 0.02 -1.92 -3.43 113.55 106.17 1xio h SER 188 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1xio h SER 188 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1xio h SER 188 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1xio n GLY 189 N 0.67 1.67 0.17 -3.77 0.00 -0.09 -4.94 105.19 98.91 1xio n GLY 189 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1xio n GLY 189 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xio h PHE 190 N 0.00 0.00 -2.26 1.61 0.04 -0.45 -3.48 116.94 112.41 1xio h PHE 190 Ca 0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1xio h PHE 190 Cb 0.00 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1xio h PHE 190 CO 0.00 0.00 -0.29 0.41 -0.60 0.00 0.00 178.31 177.83 1xio n GLY 191 N 0.25 0.06 0.24 -1.45 0.00 0.47 -4.92 105.19 99.85 1xio n GLY 191 Ca 0.02 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1xio n GLY 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xio h TRP 192 N -0.56 0.00 -4.01 1.61 6.55 0.12 -3.44 115.95 116.23 1xio h TRP 192 Ca -0.26 0.00 -0.53 0.00 0.95 0.00 0.00 58.89 59.05 1xio h TRP 192 Cb 1.18 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 29.25 1xio h TRP 192 CO 0.26 0.09 -0.82 0.96 -1.05 0.00 0.00 178.44 177.88 1xio s ILE 193 N -3.53 1.54 0.97 1.49 -4.36 -0.96 -5.03 121.20 111.32 1xio s ILE 193 Ca 0.02 -1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 58.93 1xio s ILE 193 Cb 0.08 -1.39 0.17 0.00 1.25 0.00 0.00 42.46 42.58 1xio s ILE 193 CO 0.61 0.00 1.15 0.54 0.24 0.00 0.00 174.94 177.48 1xio s ASN 194 N -1.58 2.99 0.27 4.36 2.20 -1.26 -3.76 114.94 118.16 1xio s ASN 194 Ca 0.05 0.84 -0.04 0.00 -0.94 0.00 0.00 52.86 52.78 1xio s ASN 194 Cb -0.09 -1.31 0.35 0.00 -2.00 0.00 0.00 41.25 38.20 1xio s ASN 194 CO 0.03 -2.86 1.92 -0.61 -2.94 0.00 0.00 177.10 172.63 1xio h GLN 195 N -1.72 1.21 -0.25 3.55 5.75 -1.99 -1.10 115.11 120.57 1xio h GLN 195 Ca -0.49 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1xio h GLN 195 Cb 1.31 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1xio h GLN 195 CO 0.55 0.80 0.12 1.15 -2.65 0.00 0.00 178.83 178.79 1xio h THR 196 N 1.25 1.15 -0.61 2.39 2.02 -1.99 0.30 112.91 117.42 1xio h THR 196 Ca 0.38 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1xio h THR 196 Cb -0.03 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1xio h THR 196 CO -0.11 0.15 0.05 0.40 0.37 0.00 0.00 175.52 176.38 1xio h ILE 197 N 0.27 1.26 -0.15 3.11 2.04 -1.88 -0.53 117.51 121.64 1xio h ILE 197 Ca 0.09 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.89 1xio h ILE 197 Cb 0.13 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1xio h ILE 197 CO -0.01 0.39 0.01 -0.78 0.00 0.00 0.00 178.15 177.76 1xio h ASP 198 N 0.96 -0.04 -0.41 1.72 3.58 -0.81 -1.31 116.42 120.11 1xio h ASP 198 Ca 0.18 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1xio h ASP 198 Cb 0.49 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1xio h ASP 198 CO 0.02 0.00 0.22 0.74 -2.88 0.00 0.00 179.24 177.34 1xio h THR 199 N 0.06 1.01 -0.60 2.25 2.02 -0.02 -0.73 112.91 116.90 1xio h THR 199 Ca 0.07 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1xio h THR 199 Cb 0.08 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1xio h THR 199 CO -0.11 0.08 0.29 0.15 0.37 0.00 0.00 175.52 176.29 1xio h PHE 200 N 0.45 0.52 -0.24 3.16 3.57 -0.69 -1.61 116.94 122.10 1xio h PHE 200 Ca 0.17 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1xio h PHE 200 Cb 0.04 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1xio h PHE 200 CO -0.09 0.21 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.82 1xio h LEU 201 N 0.53 0.50 -1.02 0.59 3.38 -0.84 -2.43 115.31 116.02 1xio h LEU 201 Ca 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xio h LEU 201 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xio h LEU 201 CO -0.22 0.80 0.00 0.49 0.09 0.00 0.00 178.44 179.60 1xio n PHE 202 N -4.08 0.20 -0.04 1.13 3.72 -0.32 -2.09 117.46 115.98 1xio n PHE 202 Ca -0.01 -0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.24 1xio n PHE 202 Cb 0.45 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1xio n PHE 202 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xio h LEU 204 N -0.21 -0.16 0.10 0.00 4.07 -1.40 -2.23 115.31 115.48 1xio h LEU 204 Ca -0.20 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 57.57 1xio h LEU 204 Cb 1.20 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.96 1xio h LEU 204 CO -0.10 0.13 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.12 1xio h LEU 205 N -0.45 -0.56 -1.49 1.67 4.07 -1.71 -2.27 115.31 114.57 1xio h LEU 205 Ca -0.02 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.06 1xio h LEU 205 Cb 0.36 0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 1xio h LEU 205 CO 0.03 -0.28 0.41 -0.65 -1.08 0.00 0.00 178.44 176.87 1xio h PRO 206 N -0.38 0.61 -0.42 1.13 0.11 -1.79 0.41 132.00 131.68 1xio h PRO 206 Ca 0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1xio h PRO 206 Cb 0.40 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1xio h PRO 206 CO -0.11 0.40 0.14 0.35 -0.21 0.00 0.00 178.00 178.57 1xio h PHE 207 N 0.63 0.66 0.00 0.65 3.57 -0.93 0.15 116.94 121.68 1xio h PHE 207 Ca 0.26 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1xio h PHE 207 Cb 0.24 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1xio h PHE 207 CO -0.00 0.61 -0.59 0.74 -2.23 0.00 0.00 178.31 176.83 1xio h PHE 208 N 0.53 0.00 0.02 0.41 0.04 -0.85 -1.32 116.94 115.76 1xio h PHE 208 Ca 0.13 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.65 1xio h PHE 208 Cb 0.25 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1xio h PHE 208 CO 0.01 0.59 -1.03 0.77 -0.60 0.00 0.00 178.31 178.05 1xio h SER 209 N 0.00 0.74 0.00 2.17 0.02 -0.70 0.49 113.55 116.28 1xio h SER 209 Ca -0.01 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1xio h SER 209 Cb 1.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1xio h SER 209 CO 0.08 1.41 0.00 0.29 -1.14 0.00 0.00 176.83 177.47 1xio n LYS 210 N -3.79 0.00 -0.10 3.45 4.01 0.50 -3.88 118.16 118.34 1xio n LYS 210 Ca -0.09 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.61 1xio n LYS 210 Cb 0.88 -0.34 -0.02 0.00 -0.51 0.00 0.00 35.03 35.04 1xio n LYS 210 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xio h VAL 211 N 0.00 1.18 -0.06 -0.18 2.07 -1.59 -2.68 116.25 114.99 1xio h VAL 211 Ca 0.00 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1xio h VAL 211 Cb 0.00 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1xio h VAL 211 CO 0.00 0.19 -0.09 1.23 0.02 0.00 0.00 177.57 178.93 1xio h GLY 212 N 0.37 -0.05 0.97 2.17 0.00 -1.08 -0.82 103.07 104.64 1xio h GLY 212 Ca 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1xio h GLY 212 CO -0.01 -0.10 0.09 -2.75 0.00 0.00 0.00 176.54 173.77 1xio h PHE 213 N -0.12 0.19 -0.09 5.60 3.57 -0.91 -2.49 116.94 122.69 1xio h PHE 213 Ca 0.06 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1xio h PHE 213 Cb 0.20 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1xio h PHE 213 CO -0.18 0.16 -0.19 0.77 -2.23 0.00 0.00 178.31 176.64 1xio h SER 214 N 0.17 0.13 0.24 0.41 0.02 -1.38 0.86 113.55 113.99 1xio h SER 214 Ca 0.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1xio h SER 214 Cb 0.03 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xio h SER 214 CO -0.01 0.33 -0.11 0.15 -1.14 0.00 0.00 176.83 176.05 1xio h PHE 215 N 0.13 -0.29 -0.32 3.45 3.57 -0.92 0.12 116.94 122.68 1xio h PHE 215 Ca 0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1xio h PHE 215 Cb 0.41 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1xio h PHE 215 CO 0.00 -0.08 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.86 1xio h LEU 216 N -0.46 0.50 0.16 0.59 3.38 -1.10 -1.05 115.31 117.33 1xio h LEU 216 Ca -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xio h LEU 216 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xio h LEU 216 CO 0.05 0.62 -0.08 -0.78 0.09 0.00 0.00 178.44 178.35 1xio h ASP 217 N 0.49 -0.18 -0.10 -0.43 3.58 -0.67 -1.01 116.42 118.10 1xio h ASP 217 Ca 0.10 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1xio h ASP 217 Cb 0.43 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1xio h ASP 217 CO 0.02 0.29 0.01 -0.07 -2.88 0.00 0.00 179.24 176.62 1xio h LEU 218 N -0.72 0.16 -1.20 2.28 3.38 -0.74 -1.76 115.31 116.72 1xio h LEU 218 Ca -0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1xio h LEU 218 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1xio h LEU 218 CO 0.04 0.39 0.05 0.45 0.09 0.00 0.00 178.44 179.45 1xio h HIS 219 N -0.08 0.62 -0.56 1.13 3.86 -1.31 -1.02 115.15 117.80 1xio h HIS 219 Ca 0.03 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1xio h HIS 219 Cb 0.30 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1xio h HIS 219 CO 0.02 0.57 0.17 0.78 0.86 0.00 0.00 177.93 180.33 1xio h GLY 220 N 0.85 0.94 1.24 2.45 0.00 -1.01 -0.22 103.07 107.33 1xio h GLY 220 Ca 0.13 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1xio h GLY 220 CO 0.01 0.53 -0.31 1.41 0.00 0.00 0.00 176.54 178.18 1xio h LEU 221 N 0.78 0.89 -0.29 3.11 3.38 -0.99 -2.98 115.31 119.21 1xio h LEU 221 Ca 0.18 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1xio h LEU 221 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xio h LEU 221 CO -0.00 1.12 -0.03 0.03 0.09 0.00 0.00 178.44 179.65 1xio h ARG 222 N 0.72 0.53 0.00 1.13 3.08 -1.02 -3.15 114.38 115.67 1xio h ARG 222 Ca 0.08 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1xio h ARG 222 Cb 0.86 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1xio h ARG 222 CO 0.08 0.70 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.73 1xio h ASN 223 N 0.30 0.00 0.41 7.04 2.35 -1.00 -0.96 115.58 123.72 1xio h ASN 223 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1xio h ASN 223 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1xio h ASN 223 CO 0.02 0.03 0.00 -0.07 -1.65 0.00 0.00 177.43 175.76 1xio h LEU 224 N 0.00 0.00 -3.47 1.61 3.38 -1.47 -2.26 115.31 113.10 1xio h LEU 224 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xio h LEU 224 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xio h LEU 224 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1xio n ASN 225 N -2.67 5.31 0.00 -0.43 3.02 -0.37 -5.15 115.26 114.98 1xio n ASN 225 Ca -0.01 -2.89 0.03 0.00 -0.03 0.00 0.00 54.58 51.68 1xio n ASN 225 Cb 0.15 -0.65 0.18 0.00 -0.61 0.00 0.00 39.78 38.86 1xio n ASN 225 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11