#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oh3 s THR 4 N 0.00 3.18 0.28 -0.72 -4.23 -1.26 -4.67 115.64 108.22 2oh3 s THR 4 Ca 0.00 0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2oh3 s THR 4 Cb 0.00 -2.88 0.14 0.00 1.34 0.00 0.00 72.50 71.10 2oh3 s THR 4 CO 0.00 -0.50 1.80 0.25 -0.54 0.00 0.00 174.62 175.63 2oh3 h LEU 5 N -1.22 0.73 -0.33 4.79 5.85 -1.98 0.15 115.31 123.30 2oh3 h LEU 5 Ca -0.45 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 2oh3 h LEU 5 Cb 1.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2oh3 h LEU 5 CO 0.52 0.76 0.19 0.00 -0.34 0.00 0.00 178.44 179.58 2oh3 h ALA 6 N 1.33 0.42 -0.50 1.25 0.00 -1.92 -0.21 119.26 119.62 2oh3 h ALA 6 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2oh3 h ALA 6 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2oh3 h ALA 6 CO 0.01 -0.08 0.25 0.93 0.00 0.00 0.00 179.25 180.36 2oh3 h GLU 7 N 0.42 0.71 -0.11 0.00 5.08 -1.84 -1.07 114.58 117.77 2oh3 h GLU 7 Ca 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2oh3 h GLU 7 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2oh3 h GLU 7 CO -0.02 0.59 0.06 0.35 -1.00 0.00 0.00 179.01 178.98 2oh3 h PHE 8 N 0.66 0.15 -0.50 4.33 3.57 -0.48 -1.38 116.94 123.28 2oh3 h PHE 8 Ca 0.17 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2oh3 h PHE 8 Cb 0.10 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2oh3 h PHE 8 CO -0.01 0.18 0.15 -0.07 -2.23 0.00 0.00 178.31 176.33 2oh3 h LEU 9 N 0.08 0.68 -0.68 0.59 3.38 -0.97 0.11 115.31 118.50 2oh3 h LEU 9 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2oh3 h LEU 9 Cb 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2oh3 h LEU 9 CO -0.01 0.66 0.33 0.00 0.09 0.00 0.00 178.44 179.51 2oh3 h ALA 10 N 1.44 0.87 0.14 1.53 0.00 -0.99 -0.46 119.26 121.80 2oh3 h ALA 10 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2oh3 h ALA 10 Cb 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2oh3 h ALA 10 CO -0.01 0.43 -0.07 0.45 0.00 0.00 0.00 179.25 180.06 2oh3 h HIS 11 N 0.94 -0.18 -0.64 0.00 3.86 -0.48 -2.13 115.15 116.51 2oh3 h HIS 11 Ca 0.23 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.50 2oh3 h HIS 11 Cb 0.12 0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 2oh3 h HIS 11 CO 0.00 0.03 0.34 0.00 0.86 0.00 0.00 177.93 179.16 2oh3 h ALA 12 N 0.47 0.85 -0.54 2.45 0.00 -0.59 0.10 119.26 122.00 2oh3 h ALA 12 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2oh3 h ALA 12 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2oh3 h ALA 12 CO 0.03 -0.00 0.23 0.82 0.00 0.00 0.00 179.25 180.33 2oh3 h ILE 13 N 0.63 1.22 -0.52 0.00 2.04 -1.07 -2.05 117.51 117.75 2oh3 h ILE 13 Ca 0.29 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 2oh3 h ILE 13 Cb 0.21 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2oh3 h ILE 13 CO -0.19 0.25 -0.14 0.00 0.00 0.00 0.00 178.15 178.07 2oh3 h ALA 14 N 1.07 0.72 -0.85 1.87 0.00 -0.72 0.50 119.26 121.84 2oh3 h ALA 14 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2oh3 h ALA 14 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2oh3 h ALA 14 CO -0.02 0.65 0.47 -0.07 0.00 0.00 0.00 179.25 180.28 2oh3 h LEU 15 N 0.88 1.06 -0.00 0.00 3.38 -0.66 -1.07 115.31 118.89 2oh3 h LEU 15 Ca 0.13 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2oh3 h LEU 15 Cb 0.71 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.21 2oh3 h LEU 15 CO 0.05 0.85 -0.75 -0.33 0.09 0.00 0.00 178.44 178.35 2oh3 h GLU 16 N 1.19 0.52 -0.53 1.13 4.39 -1.11 -0.54 114.58 119.63 2oh3 h GLU 16 Ca 0.30 -0.55 0.06 0.00 0.34 0.00 0.00 59.36 59.51 2oh3 h GLU 16 Cb 0.02 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 2oh3 h GLU 16 CO -0.05 1.18 0.23 1.15 -1.16 0.00 0.00 179.01 180.36 2oh3 h THR 17 N 0.08 0.88 0.13 1.13 2.02 -0.85 -1.14 112.91 115.16 2oh3 h THR 17 Ca -0.09 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2oh3 h THR 17 Cb 1.44 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2oh3 h THR 17 CO 0.15 0.08 -0.06 -0.08 0.37 0.00 0.00 175.52 175.98 2oh3 h GLU 18 N 0.44 -0.17 -0.50 6.66 4.57 -1.19 -2.65 114.58 121.74 2oh3 h GLU 18 Ca 0.25 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2oh3 h GLU 18 Cb 0.23 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 2oh3 h GLU 18 CO -0.22 -0.06 0.21 0.00 -1.18 0.00 0.00 179.01 177.77 2oh3 h ALA 19 N 0.63 0.63 -0.45 2.92 0.00 -0.84 -1.36 119.26 120.79 2oh3 h ALA 19 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2oh3 h ALA 19 Cb 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2oh3 h ALA 19 CO 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.23 2oh3 h ALA 20 N 1.30 0.50 -0.58 0.00 0.00 -1.14 -0.59 119.26 118.76 2oh3 h ALA 20 Ca 0.23 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2oh3 h ALA 20 Cb 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2oh3 h ALA 20 CO -0.20 -0.29 0.22 0.93 0.00 0.00 0.00 179.25 179.90 2oh3 h GLU 21 N 0.25 0.87 -0.25 0.00 5.08 -1.08 -2.26 114.58 117.19 2oh3 h GLU 21 Ca 0.22 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 2oh3 h GLU 21 Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2oh3 h GLU 21 CO -0.27 0.76 -0.38 0.00 -1.00 0.00 0.00 179.01 178.12 2oh3 h ARG 22 N 0.80 0.70 -0.75 2.33 2.47 -0.91 -2.62 114.38 116.40 2oh3 h ARG 22 Ca 0.19 -0.42 -0.05 0.00 -1.26 0.00 0.00 59.98 58.44 2oh3 h ARG 22 Cb 0.22 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2oh3 h ARG 22 CO -0.01 1.04 0.26 1.88 0.56 0.00 0.00 179.97 183.69 2oh3 h TYR 23 N 0.42 1.17 -0.59 3.04 0.05 -1.18 -1.09 116.97 118.79 2oh3 h TYR 23 Ca 0.02 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.73 2oh3 h TYR 23 Cb 0.97 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 2oh3 h TYR 23 CO 0.08 0.91 0.35 0.28 -1.05 0.00 0.00 178.16 178.74 2oh3 h VAL 24 N 1.09 1.04 -0.23 -2.88 2.07 -1.40 0.10 116.25 116.05 2oh3 h VAL 24 Ca 0.24 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2oh3 h VAL 24 Cb 0.27 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2oh3 h VAL 24 CO -0.01 0.13 0.13 -0.08 0.02 0.00 0.00 177.57 177.75 2oh3 h GLU 25 N 0.69 0.26 -0.61 1.57 4.81 -1.38 0.10 114.58 120.02 2oh3 h GLU 25 Ca 0.24 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2oh3 h GLU 25 Cb 0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2oh3 h GLU 25 CO -0.12 0.17 0.03 -0.07 -0.73 0.00 0.00 179.01 178.29 2oh3 h LEU 26 N 0.27 1.02 -0.36 1.64 3.38 -0.99 -2.88 115.31 117.39 2oh3 h LEU 26 Ca 0.09 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2oh3 h LEU 26 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 2oh3 h LEU 26 CO -0.05 1.05 0.13 0.00 0.09 0.00 0.00 178.44 179.67 2oh3 h ALA 27 N 1.05 0.42 0.00 1.53 0.00 -0.41 -3.42 119.26 118.43 2oh3 h ALA 27 Ca 0.18 0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.62 2oh3 h ALA 27 Cb 0.52 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.45 2oh3 h ALA 27 CO 0.02 -0.26 1.29 -0.25 0.00 0.00 0.00 179.25 180.05 2oh3 n ASP 28 N -5.01 0.81 0.00 0.00 8.00 -0.01 -4.57 116.55 115.76 2oh3 n ASP 28 Ca 0.01 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.17 2oh3 n ASP 28 Cb 0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 2oh3 n ASP 28 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2oh3 n GLU 31 N 7.48 0.00 0.27 -1.24 4.07 -1.26 -4.70 120.64 125.25 2oh3 n GLU 31 Ca 0.40 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.62 2oh3 n GLU 31 Cb 0.37 -0.04 0.75 0.00 -0.06 0.00 0.00 31.44 32.46 2oh3 n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2oh3 h ALA 32 N 0.00 1.42 -0.39 4.31 0.00 -1.95 0.48 119.26 123.12 2oh3 h ALA 32 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2oh3 h ALA 32 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2oh3 h ALA 32 CO 0.00 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.09 2oh3 n HIS 33 N -3.80 1.40 -2.98 0.00 8.25 -1.26 -4.97 115.22 111.85 2oh3 n HIS 33 Ca -0.02 -0.82 -0.21 0.00 -0.26 0.00 0.00 57.72 56.40 2oh3 n HIS 33 Cb 0.19 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 30.93 2oh3 n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2oh3 n ASN 34 N -0.06 -5.25 -4.06 0.41 5.15 0.16 -4.91 115.26 106.70 2oh3 n ASN 34 Ca 0.24 -0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2oh3 n ASN 34 Cb 1.02 -4.29 0.01 0.00 -0.53 0.00 0.00 39.78 35.98 2oh3 n ASN 34 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2oh3 n ASN 35 N -2.33 5.62 0.15 1.20 5.03 -1.26 -4.85 115.26 118.82 2oh3 n ASN 35 Ca -0.11 -3.19 0.00 0.00 0.87 0.00 0.00 54.58 52.16 2oh3 n ASN 35 Cb 0.61 -1.41 0.23 0.00 -1.02 0.00 0.00 39.78 38.19 2oh3 n ASN 35 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2oh3 h LEU 36 N 7.16 0.00 -0.02 3.41 3.38 -1.91 -0.84 115.31 126.49 2oh3 h LEU 36 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2oh3 h LEU 36 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2oh3 h LEU 36 CO 1.40 0.53 -0.01 -2.24 0.09 0.00 0.00 178.44 178.21 2oh3 h ASP 37 N 0.00 0.05 -0.72 -0.43 2.03 -2.00 -2.32 116.42 113.03 2oh3 h ASP 37 Ca -0.01 -0.42 -0.05 0.00 -0.73 0.00 0.00 57.03 55.82 2oh3 h ASP 37 Cb 0.95 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.40 2oh3 h ASP 37 CO 0.07 0.46 0.24 0.74 -1.03 0.00 0.00 179.24 179.72 2oh3 h THR 38 N -0.36 1.26 -0.63 1.15 2.02 -1.95 -1.97 112.91 112.43 2oh3 h THR 38 Ca 0.00 -0.86 0.09 0.00 0.77 0.00 0.00 66.41 66.41 2oh3 h THR 38 Cb 0.44 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 2oh3 h THR 38 CO 0.00 0.34 0.27 0.00 0.37 0.00 0.00 175.52 176.50 2oh3 h ALA 39 N 1.12 0.83 -0.48 6.16 0.00 -1.14 -2.19 119.26 123.55 2oh3 h ALA 39 Ca 0.23 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2oh3 h ALA 39 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2oh3 h ALA 39 CO -0.01 -0.14 0.03 1.15 0.00 0.00 0.00 179.25 180.27 2oh3 h THR 40 N 0.47 1.24 -0.59 0.00 2.02 -0.93 -0.06 112.91 115.05 2oh3 h THR 40 Ca 0.31 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.61 2oh3 h THR 40 Cb 0.35 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2oh3 h THR 40 CO -0.28 0.34 0.29 0.58 0.37 0.00 0.00 175.52 176.82 2oh3 h VAL 41 N 0.73 0.91 -0.00 3.16 2.07 -0.83 -1.29 116.25 121.00 2oh3 h VAL 41 Ca 0.15 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 2oh3 h VAL 41 Cb 0.41 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2oh3 h VAL 41 CO 0.01 0.10 -0.62 -0.26 0.02 0.00 0.00 177.57 176.83 2oh3 h PHE 42 N 0.54 0.02 -0.56 1.57 0.04 -0.96 -2.91 116.94 114.67 2oh3 h PHE 42 Ca 0.27 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.95 2oh3 h PHE 42 Cb 0.22 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2oh3 h PHE 42 CO -0.11 0.63 0.03 0.00 -0.60 0.00 0.00 178.31 178.25 2oh3 h ARG 43 N 0.01 0.95 -0.14 1.51 2.47 -0.61 -1.45 114.38 117.13 2oh3 h ARG 43 Ca -0.01 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2oh3 h ARG 43 Cb 1.09 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2oh3 h ARG 43 CO 0.08 0.92 0.00 -3.47 0.56 0.00 0.00 179.97 178.06 2oh3 n ASP 44 N -4.20 0.14 0.00 7.04 2.03 -0.52 -1.20 116.55 119.83 2oh3 n ASP 44 Ca 0.03 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2oh3 n ASP 44 Cb 0.31 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2oh3 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oh3 n ALA 46 N 0.41 0.00 -0.09 -1.67 0.00 -0.55 -1.01 120.51 117.60 2oh3 n ALA 46 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2oh3 n ALA 46 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 2oh3 n ALA 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2oh3 h ARG 47 N 0.00 0.89 -0.67 0.00 9.65 -1.41 -2.62 114.38 120.22 2oh3 h ARG 47 Ca 0.00 -0.54 0.04 0.00 -1.10 0.00 0.00 59.98 58.38 2oh3 h ARG 47 Cb 0.00 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 2oh3 h ARG 47 CO 0.00 1.18 0.41 0.35 2.80 0.00 0.00 179.97 184.71 2oh3 h PHE 48 N 0.70 0.76 -0.27 2.20 3.04 -1.34 -2.24 116.94 119.79 2oh3 h PHE 48 Ca 0.03 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.07 2oh3 h PHE 48 Cb 1.10 -0.25 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 2oh3 h PHE 48 CO 0.07 0.42 -0.23 0.77 -2.02 0.00 0.00 178.31 177.32 2oh3 h SER 49 N 0.79 -0.74 -0.29 0.41 0.02 -1.78 0.87 113.55 112.83 2oh3 h SER 49 Ca 0.28 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 2oh3 h SER 49 Cb 0.06 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2oh3 h SER 49 CO -0.12 -0.26 0.12 0.74 -1.14 0.00 0.00 176.83 176.16 2oh3 h THR 50 N -0.22 0.95 -0.14 -2.27 2.02 -1.25 0.38 112.91 112.38 2oh3 h THR 50 Ca 0.15 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2oh3 h THR 50 Cb 0.45 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2oh3 h THR 50 CO -0.40 0.05 0.05 -0.07 0.37 0.00 0.00 175.52 175.52 2oh3 h LEU 51 N 0.26 0.19 -0.16 2.58 3.38 -1.02 -1.14 115.31 119.40 2oh3 h LEU 51 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2oh3 h LEU 51 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2oh3 h LEU 51 CO -0.12 0.32 -0.01 -0.74 0.09 0.00 0.00 178.44 177.99 2oh3 h HIS 52 N 0.05 0.31 -0.97 1.13 2.76 -0.77 -2.53 115.15 115.14 2oh3 h HIS 52 Ca 0.04 -0.06 0.17 0.00 -2.20 0.00 0.00 60.37 58.32 2oh3 h HIS 52 Cb 0.19 -0.08 -0.10 0.00 1.55 0.00 0.00 27.41 28.97 2oh3 h HIS 52 CO -0.01 0.52 0.58 0.78 -1.30 0.00 0.00 177.93 178.50 2oh3 h GLY 53 N 0.02 1.68 1.08 5.26 0.00 -0.25 -0.96 103.07 109.90 2oh3 h GLY 53 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2oh3 h GLY 53 CO 0.01 -0.02 0.10 -0.55 0.00 0.00 0.00 176.54 176.09 2oh3 h ASP 54 N 0.78 1.07 -0.18 0.19 3.32 -0.98 0.17 116.42 120.80 2oh3 h ASP 54 Ca 0.54 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.35 2oh3 h ASP 54 Cb 0.77 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2oh3 h ASP 54 CO -0.36 1.06 0.05 -0.08 -1.72 0.00 0.00 179.24 178.20 2oh3 h GLU 55 N 1.04 0.12 -0.54 3.56 4.81 -0.92 -1.49 114.58 121.17 2oh3 h GLU 55 Ca 0.20 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2oh3 h GLU 55 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2oh3 h GLU 55 CO 0.01 0.08 0.09 0.82 -0.73 0.00 0.00 179.01 179.28 2oh3 h ILE 56 N 0.13 1.24 -0.70 2.32 2.04 -0.93 -2.37 117.51 119.23 2oh3 h ILE 56 Ca 0.08 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2oh3 h ILE 56 Cb 0.06 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2oh3 h ILE 56 CO -0.09 0.33 0.21 0.11 0.00 0.00 0.00 178.15 178.71 2oh3 h LYS 57 N 0.81 1.08 -0.17 2.37 1.57 -0.63 -1.45 116.57 120.15 2oh3 h LYS 57 Ca 0.17 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2oh3 h LYS 57 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2oh3 h LYS 57 CO 0.01 0.92 0.07 0.37 -0.57 0.00 0.00 179.45 180.26 2oh3 h GLN 58 N 1.04 0.16 -0.88 3.15 4.15 -0.97 -2.65 115.11 119.11 2oh3 h GLN 58 Ca 0.23 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.70 2oh3 h GLN 58 Cb 0.30 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 2oh3 h GLN 58 CO -0.01 0.11 0.57 0.00 -1.93 0.00 0.00 178.83 177.57 2oh3 h ARG 59 N 0.16 0.96 0.00 1.69 3.08 -0.99 -3.02 114.38 116.26 2oh3 h ARG 59 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2oh3 h ARG 59 Cb 0.02 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2oh3 h ARG 59 CO -0.05 0.64 0.00 0.43 -1.07 0.00 0.00 179.97 179.91 2oh3 n SER 60 N -4.49 0.53 0.27 7.04 7.64 -0.58 -2.91 113.62 121.12 2oh3 n SER 60 Ca 0.13 0.55 0.15 0.00 1.01 0.00 0.00 58.87 60.72 2oh3 n SER 60 Cb 0.20 -0.69 0.88 0.00 -1.01 0.00 0.00 64.21 63.59 2oh3 n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2oh3 h ARG 61 N 0.00 0.00 0.00 1.43 3.08 -1.37 -1.30 114.38 116.23 2oh3 h ARG 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2oh3 h ARG 61 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2oh3 h ARG 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2oh3 n ALA 62 N -2.34 1.97 -2.73 0.04 0.00 -1.15 -4.88 120.51 111.42 2oh3 n ALA 62 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2oh3 n ALA 62 Cb 0.14 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 2oh3 n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oh3 s LEU 63 N -3.93 2.27 -0.32 0.00 1.43 -0.49 -5.10 118.68 112.54 2oh3 s LEU 63 Ca 0.08 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 2oh3 s LEU 63 Cb 0.12 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.91 2oh3 s LEU 63 CO 0.45 -0.10 1.12 -0.70 0.23 0.00 0.00 176.35 177.35 2oh3 s GLU 64 N -1.70 4.03 0.06 1.70 2.12 -1.26 -4.97 118.70 118.68 2oh3 s GLU 64 Ca -0.04 1.09 -0.13 0.00 0.36 0.00 0.00 54.97 56.26 2oh3 s GLU 64 Cb -0.10 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.46 2oh3 s GLU 64 CO 0.02 -0.95 0.44 -0.51 -0.54 0.00 0.00 175.26 173.71 2oh3 s LEU 65 N 3.80 4.40 0.41 2.70 1.43 -1.26 -4.91 118.68 125.25 2oh3 s LEU 65 Ca 0.47 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.27 2oh3 s LEU 65 Cb -0.13 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 2oh3 s LEU 65 CO 0.17 0.22 1.03 -2.16 0.23 0.00 0.00 176.35 175.84 2oh3 s PRO 66 N -1.59 4.16 -0.04 1.29 0.04 -1.26 -5.01 135.00 132.58 2oh3 s PRO 66 Ca 0.30 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2oh3 s PRO 66 Cb -0.15 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2oh3 s PRO 66 CO 0.17 -0.13 1.16 0.21 0.04 0.00 0.00 177.00 178.45 2oh3 s LYS 67 N -2.63 4.38 0.00 4.56 2.20 -1.26 -4.88 119.74 122.11 2oh3 s LYS 67 Ca 0.59 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2oh3 s LYS 67 Cb -0.20 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2oh3 s LYS 67 CO 0.25 -0.39 0.00 1.28 -0.36 0.00 0.00 175.35 176.13 2oh3 n LEU 68 N 4.95 0.00 -0.06 5.43 4.77 -1.26 -5.19 117.00 125.64 2oh3 n LEU 68 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 2oh3 n LEU 68 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 2oh3 n LEU 68 CO 0.55 0.00 -1.04 -1.54 -1.33 0.00 0.00 177.39 174.03 2oh3 n SER 70 N 0.00 2.06 0.19 -1.43 3.41 -1.26 -4.99 113.62 111.59 2oh3 n SER 70 Ca 0.00 0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.83 2oh3 n SER 70 Cb 0.00 -0.68 0.57 0.00 -0.26 0.00 0.00 64.21 63.84 2oh3 n SER 70 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2oh3 h TRP 71 N -0.02 0.00 0.00 7.33 0.09 -2.01 -0.83 115.95 120.51 2oh3 h TRP 71 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.49 2oh3 h TRP 71 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.18 2oh3 h TRP 71 CO 0.05 0.00 0.00 1.04 0.09 0.00 0.00 178.44 179.62 2oh3 n GLN 72 N -2.55 0.16 0.00 0.12 6.02 -1.26 -4.41 117.38 115.46 2oh3 n GLN 72 Ca 0.01 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2oh3 n GLN 72 Cb 0.25 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2oh3 n GLN 72 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 2oh3 n TYR 73 N -2.07 0.00 -1.82 1.08 0.18 -0.95 -4.99 117.16 108.59 2oh3 n TYR 73 Ca 0.03 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.41 2oh3 n TYR 73 Cb 0.27 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.24 2oh3 n TYR 73 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2oh3 s ARG 74 N -0.31 3.79 0.52 -3.48 0.52 -0.36 -4.71 118.95 114.93 2oh3 s ARG 74 Ca 0.00 2.43 -0.22 0.00 -0.52 0.00 0.00 55.73 57.43 2oh3 s ARG 74 Cb 0.00 -2.72 -0.07 0.00 0.52 0.00 0.00 34.95 32.68 2oh3 s ARG 74 CO 0.00 -0.74 1.09 0.91 0.02 0.00 0.00 175.30 176.58 2oh3 n TRP 75 N -0.04 1.37 -1.93 -0.53 7.02 -1.26 -4.95 117.44 117.11 2oh3 n TRP 75 Ca 0.04 0.47 -0.38 0.00 -1.02 0.00 0.00 57.50 56.62 2oh3 n TRP 75 Cb 0.41 -2.24 0.03 0.00 -2.42 0.00 0.00 31.31 27.09 2oh3 n TRP 75 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2oh3 s LYS 76 N -2.51 3.28 0.37 -0.99 2.20 -1.26 -4.96 119.74 115.86 2oh3 s LYS 76 Ca 0.70 2.08 -0.26 0.00 -0.36 0.00 0.00 55.97 58.12 2oh3 s LYS 76 Cb -0.46 -2.27 -0.09 0.00 -1.51 0.00 0.00 37.83 33.50 2oh3 s LYS 76 CO 0.52 -1.03 1.15 0.95 -0.36 0.00 0.00 175.35 176.58 2oh3 s THR 77 N -1.39 3.24 1.03 3.43 -4.23 -1.26 -5.02 115.64 111.45 2oh3 s THR 77 Ca 0.70 1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 62.14 2oh3 s THR 77 Cb -0.36 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.05 2oh3 s THR 77 CO 0.43 0.14 1.19 -2.16 -0.54 0.00 0.00 174.62 173.68 2oh3 s PRO 78 N -2.11 0.14 0.23 3.99 0.04 -1.26 -4.96 135.00 131.08 2oh3 s PRO 78 Ca 0.54 -0.07 -0.32 0.00 0.04 0.00 0.00 61.00 61.19 2oh3 s PRO 78 Cb -0.31 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2oh3 s PRO 78 CO 0.39 -2.80 1.36 -2.30 0.04 0.00 0.00 177.00 173.69 2oh3 n PRO 79 N -4.11 1.86 -3.20 0.56 -0.02 -1.26 -4.88 135.00 123.94 2oh3 n PRO 79 Ca 0.12 0.66 -0.44 0.00 -2.02 0.00 0.00 63.50 61.82 2oh3 n PRO 79 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2oh3 n PRO 79 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2oh3 n GLU 80 N 1.98 3.92 -3.81 -0.52 -0.58 -1.26 -4.95 120.64 115.42 2oh3 n GLU 80 Ca 0.12 -4.50 -0.13 0.00 -0.42 0.00 0.00 57.16 52.23 2oh3 n GLU 80 Cb 0.30 -2.53 -0.12 0.00 -0.57 0.00 0.00 31.44 28.52 2oh3 n GLU 80 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2oh3 s VAL 81 N -1.94 -0.00 -0.13 2.62 0.11 -1.26 -3.74 120.40 116.05 2oh3 s VAL 81 Ca 0.31 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2oh3 s VAL 81 Cb -0.04 -0.25 0.12 0.00 -1.53 0.00 0.00 36.38 34.69 2oh3 s VAL 81 CO -0.00 0.01 1.72 0.61 -3.33 0.00 0.00 175.10 174.10 2oh3 n GLY 82 N 3.09 3.00 0.99 6.54 0.00 -1.26 -3.90 105.19 113.65 2oh3 n GLY 82 Ca -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2oh3 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oh3 n ASP 83 N 0.66 0.00 0.00 1.61 9.92 -1.25 -5.28 116.55 122.21 2oh3 n ASP 83 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2oh3 n ASP 83 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 2oh3 n ASP 83 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2oh3 n GLU 84 N -2.00 0.00 -3.47 -1.24 4.07 -1.25 -5.12 120.64 111.63 2oh3 n GLU 84 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 2oh3 n GLU 84 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 2oh3 n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2oh3 s HIS 88 N -0.97 -0.54 0.14 4.31 5.04 -1.26 -5.01 115.29 117.00 2oh3 s HIS 88 Ca 0.00 0.52 -0.19 0.00 -1.54 0.00 0.00 55.06 53.85 2oh3 s HIS 88 Cb 0.00 0.48 0.00 0.00 0.04 0.00 0.00 32.58 33.10 2oh3 s HIS 88 CO 0.00 -0.76 1.70 -0.92 -2.34 0.00 0.00 174.74 172.42 2oh3 h TYR 89 N 2.36 -0.13 0.00 3.88 3.20 -1.98 -3.35 116.97 120.95 2oh3 h TYR 89 Ca -0.32 0.02 -0.50 0.00 3.14 0.00 0.00 58.73 61.07 2oh3 h TYR 89 Cb 1.25 0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.64 2oh3 h TYR 89 CO 0.29 -0.10 3.03 1.28 -1.64 0.00 0.00 178.16 181.01 2oh3 n LEU 90 N -5.22 6.24 0.00 2.82 4.77 -1.26 -4.64 117.00 119.70 2oh3 n LEU 90 Ca -0.01 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.53 2oh3 n LEU 90 Cb 0.15 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2oh3 n LEU 90 CO 0.22 1.06 0.00 0.35 -1.33 0.00 0.00 177.39 177.69 2oh3 n THR 92 N 4.15 0.00 -0.34 -5.08 -2.24 -1.26 -4.16 114.28 105.35 2oh3 n THR 92 Ca 0.56 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.43 2oh3 n THR 92 Cb 0.19 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.67 2oh3 n THR 92 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2oh3 h PRO 93 N 0.00 0.82 -0.61 -0.78 0.11 -1.93 -1.96 132.00 127.65 2oh3 h PRO 93 Ca 0.00 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.11 2oh3 h PRO 93 Cb 0.00 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 30.88 2oh3 h PRO 93 CO 0.00 0.54 0.33 -0.92 -0.21 0.00 0.00 178.00 177.74 2oh3 h TYR 94 N 0.84 0.61 -0.03 0.65 3.20 -1.93 -1.62 116.97 118.70 2oh3 h TYR 94 Ca 0.50 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 62.20 2oh3 h TYR 94 Cb 0.61 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2oh3 h TYR 94 CO -0.03 0.30 -0.83 0.45 -1.64 0.00 0.00 178.16 176.42 2oh3 h HIS 95 N 0.63 0.45 -0.32 -3.82 3.86 -1.64 -2.49 115.15 111.82 2oh3 h HIS 95 Ca 0.27 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 2oh3 h HIS 95 Cb 0.15 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2oh3 h HIS 95 CO -0.08 1.01 -0.19 0.00 0.86 0.00 0.00 177.93 179.53 2oh3 h ALA 96 N 0.92 0.46 -0.53 2.45 0.00 -1.23 -1.88 119.26 119.44 2oh3 h ALA 96 Ca -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2oh3 h ALA 96 Cb 1.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2oh3 h ALA 96 CO 0.14 0.39 0.19 -0.07 0.00 0.00 0.00 179.25 179.89 2oh3 h LEU 97 N 0.46 0.75 -0.79 0.00 3.38 -1.32 0.85 115.31 118.63 2oh3 h LEU 97 Ca 0.07 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2oh3 h LEU 97 Cb 0.73 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2oh3 h LEU 97 CO 0.05 0.74 0.05 0.03 0.09 0.00 0.00 178.44 179.40 2oh3 h ARG 98 N 0.72 0.96 -0.31 1.13 3.08 -1.44 0.30 114.38 118.82 2oh3 h ARG 98 Ca 0.17 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2oh3 h ARG 98 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2oh3 h ARG 98 CO -0.01 0.92 0.14 -0.92 -1.07 0.00 0.00 179.97 179.03 2oh3 h TYR 99 N 0.89 0.46 -0.29 3.04 3.20 -1.03 -1.35 116.97 121.88 2oh3 h TYR 99 Ca 0.17 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2oh3 h TYR 99 Cb 0.46 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2oh3 h TYR 99 CO 0.03 0.42 0.12 0.00 -1.64 0.00 0.00 178.16 177.09 2oh3 h ALA 100 N 0.99 0.38 -0.34 1.82 0.00 -0.68 -2.77 119.26 118.66 2oh3 h ALA 100 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2oh3 h ALA 100 Cb 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2oh3 h ALA 100 CO -0.01 -0.02 0.05 -0.09 0.00 0.00 0.00 179.25 179.17 2oh3 h ARG 101 N 0.33 0.15 -0.78 0.00 2.43 -0.84 -0.73 114.38 114.93 2oh3 h ARG 101 Ca 0.10 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.44 2oh3 h ARG 101 Cb 0.18 -0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.57 2oh3 h ARG 101 CO -0.01 0.10 0.11 -0.44 -1.51 0.00 0.00 179.97 178.22 2oh3 h ASP 102 N 0.16 -0.17 0.99 -3.80 3.32 -1.09 -1.38 116.42 114.45 2oh3 h ASP 102 Ca 0.16 0.18 -0.19 0.00 0.02 0.00 0.00 57.03 57.21 2oh3 h ASP 102 Cb 0.19 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2oh3 h ASP 102 CO -0.23 -0.14 -0.89 0.78 -1.72 0.00 0.00 179.24 177.05 2oh3 h ASN 103 N 0.17 0.00 -0.46 6.45 2.35 -1.17 -2.02 115.58 120.90 2oh3 h ASN 103 Ca 0.45 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.23 2oh3 h ASN 103 Cb 0.82 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2oh3 h ASN 103 CO -0.62 0.89 0.26 -0.33 -1.65 0.00 0.00 177.43 175.97 2oh3 h GLU 104 N 0.00 0.50 -0.59 0.81 4.39 -0.85 -1.88 114.58 116.95 2oh3 h GLU 104 Ca -0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2oh3 h GLU 104 Cb 1.62 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 2oh3 h GLU 104 CO 0.12 0.33 0.33 0.82 -1.16 0.00 0.00 179.01 179.44 2oh3 h ILE 105 N 0.51 1.19 -0.79 3.13 2.04 -1.15 -2.80 117.51 119.64 2oh3 h ILE 105 Ca 0.19 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2oh3 h ILE 105 Cb 0.05 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2oh3 h ILE 105 CO -0.10 0.21 0.52 0.03 0.00 0.00 0.00 178.15 178.80 2oh3 h ARG 106 N 0.80 1.01 -1.18 2.37 3.08 -1.21 -0.05 114.38 119.20 2oh3 h ARG 106 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2oh3 h ARG 106 Cb 0.04 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2oh3 h ARG 106 CO -0.03 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 2oh3 n GLY 107 N -1.32 0.41 0.85 0.04 0.00 -0.72 -1.71 105.19 102.74 2oh3 n GLY 107 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2oh3 n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oh3 n GLU 109 N 0.69 0.00 -0.08 1.61 1.02 -0.03 -1.94 120.64 121.91 2oh3 n GLU 109 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2oh3 n GLU 109 Cb 0.09 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.51 2oh3 n GLU 109 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2oh3 h TYR 110 N 0.00 0.21 -0.45 -0.32 3.20 -1.59 -1.10 116.97 116.92 2oh3 h TYR 110 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2oh3 h TYR 110 Cb 0.00 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2oh3 h TYR 110 CO 0.00 0.10 0.27 1.88 -1.64 0.00 0.00 178.16 178.77 2oh3 h TYR 111 N 0.25 0.59 -0.89 -3.82 0.05 -1.68 -1.08 116.97 110.39 2oh3 h TYR 111 Ca 0.13 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2oh3 h TYR 111 Cb 0.09 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 2oh3 h TYR 111 CO -0.12 0.41 0.49 0.87 -1.05 0.00 0.00 178.16 178.76 2oh3 h LYS 112 N 0.59 1.24 -0.51 4.88 1.57 -1.72 -1.30 116.57 121.32 2oh3 h LYS 112 Ca 0.16 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2oh3 h LYS 112 Cb -0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2oh3 h LYS 112 CO -0.03 0.91 -0.13 1.49 -0.57 0.00 0.00 179.45 181.12 2oh3 h GLU 113 N 1.25 0.98 -0.14 3.15 4.57 -1.04 -2.18 114.58 121.18 2oh3 h GLU 113 Ca 0.31 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2oh3 h GLU 113 Cb 0.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2oh3 h GLU 113 CO -0.05 1.06 0.02 0.00 -1.18 0.00 0.00 179.01 178.86 2oh3 h ALA 114 N 0.90 0.18 -0.36 2.92 0.00 -1.00 -1.51 119.26 120.39 2oh3 h ALA 114 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2oh3 h ALA 114 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2oh3 h ALA 114 CO 0.05 -0.17 0.24 0.00 0.00 0.00 0.00 179.25 179.38 2oh3 h ALA 115 N 0.81 1.84 0.13 0.00 0.00 -1.19 -1.33 119.26 119.51 2oh3 h ALA 115 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2oh3 h ALA 115 Cb 0.29 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2oh3 h ALA 115 CO 0.00 0.12 -1.23 0.00 0.00 0.00 0.00 179.25 178.13 2oh3 h ALA 116 N 1.79 0.07 0.00 0.00 0.00 -1.26 -3.39 119.26 116.47 2oh3 h ALA 116 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2oh3 h ALA 116 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2oh3 h ALA 116 CO -0.03 0.82 -0.83 0.09 0.00 0.00 0.00 179.25 179.30 2oh3 n ASN 117 N -3.67 0.81 -4.84 0.00 5.03 -0.58 -4.96 115.26 107.05 2oh3 n ASN 117 Ca -0.11 -0.87 -0.36 0.00 0.87 0.00 0.00 54.58 54.11 2oh3 n ASN 117 Cb 1.00 1.02 -0.06 0.00 -1.02 0.00 0.00 39.78 40.72 2oh3 n ASN 117 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2oh3 s SER 118 N -2.64 6.89 0.29 6.41 0.01 -0.53 -4.98 113.70 119.15 2oh3 s SER 118 Ca 0.06 1.18 0.23 0.00 1.31 0.00 0.00 55.95 58.73 2oh3 s SER 118 Cb 0.13 -2.33 0.12 0.00 0.21 0.00 0.00 66.02 64.15 2oh3 s SER 118 CO 0.70 0.08 1.24 0.00 0.41 0.00 0.00 173.24 175.67 2oh3 h ALA 119 N 3.51 0.68 -2.18 1.44 0.00 -1.90 -3.45 119.26 117.37 2oh3 h ALA 119 Ca -0.48 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 2oh3 h ALA 119 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2oh3 h ALA 119 CO 0.66 0.01 0.94 0.34 0.00 0.00 0.00 179.25 181.20 2oh3 s ASP 120 N -5.67 6.89 0.45 0.00 -1.08 -1.26 -4.91 116.67 111.08 2oh3 s ASP 120 Ca 0.02 1.81 0.11 0.00 -0.52 0.00 0.00 52.55 53.97 2oh3 s ASP 120 Cb 0.08 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 40.02 2oh3 s ASP 120 CO 0.75 -0.79 2.08 -0.65 0.52 0.00 0.00 175.17 177.08 2oh3 h PRO 121 N 8.46 0.34 -0.33 4.34 0.11 -1.99 -1.69 132.00 141.24 2oh3 h PRO 121 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2oh3 h PRO 121 Cb 1.12 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2oh3 h PRO 121 CO 0.96 0.22 -0.03 1.49 -0.21 0.00 0.00 178.00 180.43 2oh3 h GLU 122 N 0.35 0.52 -0.21 1.05 4.57 -1.99 0.51 114.58 119.39 2oh3 h GLU 122 Ca 0.11 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2oh3 h GLU 122 Cb 0.03 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2oh3 h GLU 122 CO -0.02 0.58 -0.29 0.28 -1.18 0.00 0.00 179.01 178.38 2oh3 h VAL 123 N 0.50 1.33 -0.69 0.32 2.07 -1.69 0.37 116.25 118.45 2oh3 h VAL 123 Ca 0.10 -1.49 0.12 0.00 0.82 0.00 0.00 66.70 66.25 2oh3 h VAL 123 Cb 0.38 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 2oh3 h VAL 123 CO 0.02 0.46 0.28 0.11 0.02 0.00 0.00 177.57 178.45 2oh3 h LYS 124 N 0.24 0.44 0.11 1.57 1.57 -1.09 0.38 116.57 119.79 2oh3 h LYS 124 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2oh3 h LYS 124 Cb 0.86 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2oh3 h LYS 124 CO 0.07 0.29 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.10 2oh3 h ARG 125 N 0.46 -0.14 -0.36 3.15 2.43 -0.67 -2.33 114.38 116.92 2oh3 h ARG 125 Ca 0.36 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2oh3 h ARG 125 Cb 0.49 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2oh3 h ARG 125 CO -0.35 0.35 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.08 2oh3 h LEU 126 N -0.76 0.83 -0.62 3.80 3.38 -0.86 -1.59 115.31 119.48 2oh3 h LEU 126 Ca -0.01 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2oh3 h LEU 126 Cb 0.56 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2oh3 h LEU 126 CO 0.02 1.08 0.35 1.23 0.09 0.00 0.00 178.44 181.22 2oh3 h GLY 127 N 0.93 0.89 0.96 0.83 0.00 -0.30 0.46 103.07 106.84 2oh3 h GLY 127 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2oh3 h GLY 127 CO 0.08 0.18 -0.16 0.00 0.00 0.00 0.00 176.54 176.64 2oh3 h ALA 128 N 1.30 0.48 -0.09 3.60 0.00 -1.24 -0.65 119.26 122.66 2oh3 h ALA 128 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2oh3 h ALA 128 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2oh3 h ALA 128 CO -0.15 0.39 0.05 -0.44 0.00 0.00 0.00 179.25 179.11 2oh3 h ASP 129 N 0.49 0.11 -0.52 0.00 3.32 -1.02 -1.87 116.42 116.92 2oh3 h ASP 129 Ca 0.08 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2oh3 h ASP 129 Cb 0.69 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2oh3 h ASP 129 CO 0.05 0.16 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.40 2oh3 h PHE 130 N 0.04 1.08 -0.71 4.55 -1.00 -0.05 -2.58 116.94 118.27 2oh3 h PHE 130 Ca 0.03 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.60 2oh3 h PHE 130 Cb 0.08 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 2oh3 h PHE 130 CO -0.04 1.00 0.47 0.00 -1.61 0.00 0.00 178.31 178.13 2oh3 h ALA 131 N 0.92 0.90 -0.68 2.45 0.00 -1.07 -1.39 119.26 120.39 2oh3 h ALA 131 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2oh3 h ALA 131 Cb 0.62 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2oh3 h ALA 131 CO 0.04 0.32 0.41 0.00 0.00 0.00 0.00 179.25 180.02 2oh3 h ALA 132 N 1.26 0.86 -0.03 0.00 0.00 -1.14 -0.82 119.26 119.38 2oh3 h ALA 132 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2oh3 h ALA 132 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2oh3 h ALA 132 CO -0.06 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 180.42 2oh3 h GLU 133 N 0.92 -0.05 -0.33 0.00 5.08 -1.26 -2.41 114.58 116.53 2oh3 h GLU 133 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2oh3 h GLU 133 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2oh3 h GLU 133 CO -0.05 -0.04 0.04 0.93 -1.00 0.00 0.00 179.01 178.90 2oh3 h GLU 134 N -0.05 0.48 -0.52 2.33 4.39 -1.03 -1.85 114.58 118.33 2oh3 h GLU 134 Ca 0.03 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2oh3 h GLU 134 Cb 0.10 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2oh3 h GLU 134 CO -0.07 0.48 0.17 0.00 -1.16 0.00 0.00 179.01 178.44 2oh3 h ALA 135 N 1.58 1.32 -0.05 3.43 0.00 -0.96 -0.58 119.26 124.01 2oh3 h ALA 135 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2oh3 h ALA 135 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2oh3 h ALA 135 CO 0.00 0.49 -0.32 0.93 0.00 0.00 0.00 179.25 180.36 2oh3 h GLU 136 N 0.76 0.09 -0.35 0.00 5.08 -0.84 -1.93 114.58 117.38 2oh3 h GLU 136 Ca 0.18 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2oh3 h GLU 136 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2oh3 h GLU 136 CO -0.01 0.40 -0.39 0.45 -1.00 0.00 0.00 179.01 178.46 2oh3 h HIS 137 N 0.08 1.02 -0.12 4.33 3.86 -0.70 -1.90 115.15 121.72 2oh3 h HIS 137 Ca 0.01 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2oh3 h HIS 137 Cb 0.61 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2oh3 h HIS 137 CO 0.00 1.10 0.05 0.28 0.86 0.00 0.00 177.93 180.22 2oh3 h VAL 138 N 0.70 1.14 -0.63 2.45 2.07 -1.11 -0.84 116.25 120.03 2oh3 h VAL 138 Ca 0.06 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2oh3 h VAL 138 Cb 0.96 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2oh3 h VAL 138 CO 0.09 0.13 0.38 0.58 0.02 0.00 0.00 177.57 178.77 2oh3 h VAL 139 N 0.04 1.05 -0.47 2.57 2.07 -1.31 -0.11 116.25 120.08 2oh3 h VAL 139 Ca 0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2oh3 h VAL 139 Cb 0.16 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2oh3 h VAL 139 CO -0.00 0.13 0.31 0.00 0.02 0.00 0.00 177.57 178.03 2oh3 h ALA 140 N 1.29 0.60 -0.52 1.67 0.00 -1.09 -2.27 119.26 118.93 2oh3 h ALA 140 Ca 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2oh3 h ALA 140 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2oh3 h ALA 140 CO -0.12 0.05 0.12 -0.07 0.00 0.00 0.00 179.25 179.23 2oh3 h LEU 141 N 0.64 0.75 -0.82 0.00 3.38 -0.73 -2.34 115.31 116.19 2oh3 h LEU 141 Ca 0.17 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2oh3 h LEU 141 Cb -0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2oh3 h LEU 141 CO -0.04 0.74 0.50 0.44 0.09 0.00 0.00 178.44 180.17 2oh3 h ASP 142 N 0.77 0.78 -0.32 -0.43 3.32 -0.73 0.25 116.42 120.07 2oh3 h ASP 142 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2oh3 h ASP 142 Cb 0.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2oh3 h ASP 142 CO -0.00 0.51 -0.04 0.11 -1.72 0.00 0.00 179.24 178.09 2oh3 h LYS 143 N 0.92 0.71 -0.15 3.56 1.57 -1.07 -1.74 116.57 120.36 2oh3 h LYS 143 Ca 0.35 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2oh3 h LYS 143 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2oh3 h LYS 143 CO -0.17 0.75 -0.11 -1.49 -0.57 0.00 0.00 179.45 177.86 2oh3 h TRP 144 N 0.66 0.41 -0.60 -1.35 4.06 -0.94 -3.06 115.95 115.13 2oh3 h TRP 144 Ca 0.13 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 60.99 2oh3 h TRP 144 Cb 0.47 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 2oh3 h TRP 144 CO 0.02 0.70 0.36 0.82 -3.56 0.00 0.00 178.44 176.78 2oh3 h ILE 145 N -0.00 1.06 -0.76 1.49 2.04 -0.85 -1.45 117.51 119.04 2oh3 h ILE 145 Ca 0.03 -0.24 0.17 0.00 1.00 0.00 0.00 64.86 65.82 2oh3 h ILE 145 Cb 0.61 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 36.86 2oh3 h ILE 145 CO 0.03 0.13 0.15 -0.33 0.00 0.00 0.00 178.15 178.13 2oh3 h GLU 146 N 0.71 0.22 -0.01 2.37 5.08 -1.31 -2.28 114.58 119.36 2oh3 h GLU 146 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2oh3 h GLU 146 Cb 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2oh3 h GLU 146 CO -0.11 0.14 -0.24 1.63 -1.00 0.00 0.00 179.01 179.44 2oh3 n LYS 147 N -5.21 0.64 -3.21 2.33 4.76 -0.67 -4.86 118.16 111.94 2oh3 n LYS 147 Ca 0.15 -0.33 -0.40 0.00 -2.87 0.00 0.00 58.31 54.87 2oh3 n LYS 147 Cb 0.50 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 2oh3 n LYS 147 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2oh3 s THR 148 N -2.58 5.07 0.57 -0.18 2.01 -0.64 -5.04 115.64 114.85 2oh3 s THR 148 Ca 0.23 0.97 -0.19 0.00 0.31 0.00 0.00 61.69 63.01 2oh3 s THR 148 Cb 0.19 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2oh3 s THR 148 CO 0.53 0.12 1.16 -2.16 -0.69 0.00 0.00 174.62 173.58 2oh3 s PRO 149 N 2.03 3.18 -0.11 4.92 0.04 -1.26 -4.95 135.00 138.85 2oh3 s PRO 149 Ca 0.24 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 2oh3 s PRO 149 Cb -0.16 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2oh3 s PRO 149 CO 0.09 -1.01 0.72 1.03 0.04 0.00 0.00 177.00 177.87 2oh3 s ARG 150 N -3.33 4.37 0.68 4.56 1.81 -1.26 -4.62 118.95 121.16 2oh3 s ARG 150 Ca 0.75 0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 55.52 2oh3 s ARG 150 Cb -0.26 -3.50 -0.00 0.00 -0.45 0.00 0.00 34.95 30.74 2oh3 s ARG 150 CO 0.30 -0.08 1.06 -1.25 -0.68 0.00 0.00 175.30 174.65 2oh3 s PRO 151 N 1.29 3.06 -0.08 3.54 0.04 -1.26 -5.08 135.00 136.51 2oh3 s PRO 151 Ca 0.36 0.71 0.04 0.00 0.04 0.00 0.00 61.00 62.15 2oh3 s PRO 151 Cb -0.17 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2oh3 s PRO 151 CO 0.16 -0.95 -0.19 -1.12 0.04 0.00 0.00 177.00 174.94 2oh3 s SER 152 N -4.10 3.57 1.35 6.66 0.01 -1.26 -5.14 113.70 114.79 2oh3 s SER 152 Ca 0.57 -0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.23 2oh3 s SER 152 Cb -0.12 -1.10 0.32 0.00 0.21 0.00 0.00 66.02 65.33 2oh3 s SER 152 CO 0.54 0.24 0.93 -0.38 0.41 0.00 0.00 173.24 174.97 2oh3 n ILE 153 N 3.00 0.00 0.00 1.44 2.08 -1.26 -5.26 119.36 119.36 2oh3 n ILE 153 Ca -0.18 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 62.90 2oh3 n ILE 153 Cb 0.52 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 2oh3 n ILE 153 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46