#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 n ALA 2 N 0.00 1.57 -3.91 3.04 0.00 -1.26 -5.03 120.51 114.92 1xm0 n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xm0 n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1xm0 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xm0 s TYR 3 N 0.00 3.15 -0.17 0.00 -0.85 -1.26 -4.54 117.35 113.68 1xm0 s TYR 3 Ca 0.00 -3.15 0.01 0.00 -0.52 0.00 0.00 57.07 53.41 1xm0 s TYR 3 Cb 0.00 -2.70 0.01 0.00 0.38 0.00 0.00 41.96 39.65 1xm0 s TYR 3 CO 0.00 -0.70 -0.19 0.54 -1.52 0.00 0.00 175.55 173.68 1xm0 s ASN 4 N -0.51 3.29 -0.01 -0.18 6.03 -1.26 -5.03 114.94 117.28 1xm0 s ASN 4 Ca 0.19 -0.59 -0.21 0.00 -1.03 0.00 0.00 52.86 51.22 1xm0 s ASN 4 Cb -0.21 -1.50 -0.22 0.00 -3.03 0.00 0.00 41.25 36.29 1xm0 s ASN 4 CO -0.04 0.03 1.12 0.50 -2.03 0.00 0.00 177.10 176.68 1xm0 h LYS 5 N 7.69 0.34 -0.27 3.55 3.64 -1.97 -2.77 116.57 126.79 1xm0 h LYS 5 Ca -0.40 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 58.63 1xm0 h LYS 5 Cb 1.16 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1xm0 h LYS 5 CO 0.60 1.00 0.04 1.49 -2.27 0.00 0.00 179.45 180.31 1xm0 h GLU 6 N -0.20 0.39 -0.33 1.90 4.81 -1.96 -0.14 114.58 119.05 1xm0 h GLU 6 Ca -0.04 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1xm0 h GLU 6 Cb 1.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1xm0 h GLU 6 CO 0.08 0.39 0.22 1.49 -0.73 0.00 0.00 179.01 180.46 1xm0 h GLU 7 N 0.39 0.34 -0.63 1.92 4.81 -1.86 0.92 114.58 120.46 1xm0 h GLU 7 Ca 0.09 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1xm0 h GLU 7 Cb 0.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1xm0 h GLU 7 CO 0.00 0.22 0.17 0.87 -0.73 0.00 0.00 179.01 179.54 1xm0 h LYS 8 N 0.35 1.01 0.00 1.92 1.57 -0.74 0.57 116.57 121.25 1xm0 h LYS 8 Ca 0.13 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xm0 h LYS 8 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xm0 h LYS 8 CO -0.03 0.91 0.00 0.82 -0.57 0.00 0.00 179.45 180.58 1xm0 h ILE 9 N 0.93 0.00 -0.39 1.86 5.03 -0.62 0.26 117.51 124.58 1xm0 h ILE 9 Ca 0.20 -0.17 -0.29 0.00 -0.12 0.00 0.00 64.86 64.47 1xm0 h ILE 9 Cb 0.34 0.86 -0.27 0.00 -3.03 0.00 0.00 36.82 34.73 1xm0 h ILE 9 CO 0.00 0.00 -0.75 1.17 -0.68 0.00 0.00 178.15 177.89 1xm0 n LYS 10 N -2.36 2.44 0.00 2.37 3.00 0.15 -4.78 118.16 118.98 1xm0 n LYS 10 Ca 0.01 -3.64 0.00 0.00 -0.00 0.00 0.00 58.31 54.68 1xm0 n LYS 10 Cb 0.17 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1xm0 n SER 11 N -0.76 0.00 0.00 3.14 7.64 0.18 -4.93 113.62 118.89 1xm0 n SER 11 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1xm0 n SER 11 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xm0 n LEU 12 N 0.00 0.00 -4.68 -3.43 -0.00 0.45 -4.86 117.00 104.48 1xm0 n LEU 12 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1xm0 n LEU 12 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1xm0 n LEU 12 CO 0.00 0.00 0.41 0.21 -0.00 0.00 0.00 177.39 178.01 1xm0 s ASN 13 N -4.00 6.83 0.59 1.45 2.47 -1.26 -2.85 114.94 118.17 1xm0 s ASN 13 Ca 0.00 1.01 0.29 0.00 0.42 0.00 0.00 52.86 54.58 1xm0 s ASN 13 Cb 0.00 -2.38 1.59 0.00 -1.45 0.00 0.00 41.25 39.01 1xm0 s ASN 13 CO 0.00 -0.23 2.02 -0.09 -3.72 0.00 0.00 177.10 175.08 1xm0 h ARG 14 N 7.17 0.00 -0.19 0.43 1.12 -1.89 1.00 114.38 122.02 1xm0 h ARG 14 Ca -0.35 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.34 1xm0 h ARG 14 Cb 1.16 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.12 1xm0 h ARG 14 CO 0.78 0.00 -0.62 0.52 -3.11 0.00 0.00 179.97 177.54 1xm0 h MET 15 N 0.00 0.65 -0.89 0.20 2.86 -1.91 -3.12 114.93 112.72 1xm0 h MET 15 Ca 0.13 -0.45 0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1xm0 h MET 15 Cb 0.74 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.40 1xm0 h MET 15 CO -0.00 1.07 0.57 0.37 1.06 0.00 0.00 176.91 179.99 1xm0 h GLN 16 N 0.48 0.76 -0.95 1.72 5.75 0.66 0.17 115.11 123.70 1xm0 h GLN 16 Ca -0.01 -0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.64 1xm0 h GLN 16 Cb 1.20 -0.17 -0.11 0.00 1.07 0.00 0.00 27.48 29.47 1xm0 h GLN 16 CO 0.12 0.50 0.53 1.88 -2.65 0.00 0.00 178.83 179.21 1xm0 h TYR 17 N 0.78 0.92 -0.10 3.99 0.05 -1.40 0.49 116.97 121.69 1xm0 h TYR 17 Ca 0.44 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 59.13 1xm0 h TYR 17 Cb 0.58 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1xm0 h TYR 17 CO -0.00 0.15 -0.50 0.93 -1.05 0.00 0.00 178.16 177.69 1xm0 h GLU 18 N 0.64 0.25 -0.48 4.88 5.08 -0.82 0.39 114.58 124.52 1xm0 h GLU 18 Ca 0.56 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1xm0 h GLU 18 Cb 0.91 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1xm0 h GLU 18 CO -0.42 0.69 0.24 -0.39 -1.00 0.00 0.00 179.01 178.14 1xm0 h VAL 19 N 0.20 1.16 0.12 3.13 -1.51 0.48 2.20 116.25 122.03 1xm0 h VAL 19 Ca 0.01 -0.43 -0.27 0.00 -1.23 0.00 0.00 66.70 64.77 1xm0 h VAL 19 Cb 0.95 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1xm0 h VAL 19 CO 0.08 0.18 -1.26 0.74 -1.23 0.00 0.00 177.57 176.08 1xm0 h THR 20 N 0.67 1.48 -0.84 7.19 2.02 -1.13 -1.95 112.91 120.35 1xm0 h THR 20 Ca 0.17 -3.06 -0.40 0.00 0.77 0.00 0.00 66.41 63.89 1xm0 h THR 20 Cb 0.06 2.93 -0.24 0.00 -1.74 0.00 0.00 68.15 69.15 1xm0 h THR 20 CO -0.02 0.89 0.46 0.00 0.37 0.00 0.00 175.52 177.21 1xm0 n GLN 21 N -3.52 2.46 0.13 6.66 3.00 0.11 -4.71 117.38 121.51 1xm0 n GLN 21 Ca -0.09 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 1xm0 n GLN 21 Cb 1.02 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1xm0 n GLN 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1xm0 n ASN 22 N -0.96 -2.39 0.00 1.08 4.05 0.73 -4.85 115.26 112.92 1xm0 n ASN 22 Ca 0.52 0.55 0.00 0.00 0.45 0.00 0.00 54.58 56.10 1xm0 n ASN 22 Cb 1.51 2.41 0.00 0.00 1.23 0.00 0.00 39.78 44.93 1xm0 n ASN 22 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1xm0 n ASN 23 N -3.02 0.00 -4.93 1.20 4.05 -0.73 -5.00 115.26 106.83 1xm0 n ASN 23 Ca 0.00 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.82 1xm0 n ASN 23 Cb 0.00 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.06 1xm0 n ASN 23 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1xm0 s GLY 24 N -0.01 1.81 -0.08 8.20 0.00 -1.25 -5.01 107.32 110.98 1xm0 s GLY 24 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.36 1xm0 s GLY 24 CO 0.00 -1.06 -0.20 -0.51 0.00 0.00 0.00 173.10 171.32 1xm0 s THR 25 N -2.83 1.74 -0.18 0.90 -4.23 -1.26 -4.88 115.64 104.89 1xm0 s THR 25 Ca 0.59 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1xm0 s THR 25 Cb -0.09 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 1xm0 s THR 25 CO 0.39 0.49 1.65 -1.61 -0.54 0.00 0.00 174.62 175.00 1xm0 s GLU 26 N 0.33 3.85 0.20 3.99 2.02 -1.26 -4.92 118.70 122.91 1xm0 s GLU 26 Ca -0.14 1.79 -0.16 0.00 0.02 0.00 0.00 54.97 56.48 1xm0 s GLU 26 Cb -0.16 -4.04 0.20 0.00 0.10 0.00 0.00 34.13 30.23 1xm0 s GLU 26 CO 0.06 -1.23 1.60 -1.35 0.02 0.00 0.00 175.26 174.36 1xm0 h PRO 27 N 10.66 -0.07 -6.08 0.39 0.11 -2.03 -3.41 132.00 131.58 1xm0 h PRO 27 Ca -0.35 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.08 1xm0 h PRO 27 Cb 1.16 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xm0 h PRO 27 CO 0.99 -0.05 1.22 -0.35 -0.21 0.00 0.00 178.00 179.60 1xm0 n PRO 28 N -5.45 1.22 -2.69 1.05 -0.04 -1.26 -4.82 135.00 123.01 1xm0 n PRO 28 Ca 0.07 0.39 -0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1xm0 n PRO 28 Cb 0.35 -2.35 0.10 0.00 -0.04 0.00 0.00 33.50 31.56 1xm0 n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xm0 n PHE 29 N 8.01 -1.40 -0.45 0.54 3.72 -1.26 -4.90 117.46 121.71 1xm0 n PHE 29 Ca 0.35 -2.13 0.00 0.00 -0.05 0.00 0.00 57.45 55.62 1xm0 n PHE 29 Cb 0.20 1.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.78 1xm0 n PHE 29 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1xm0 n GLN 30 N -0.55 -0.17 -2.70 -1.08 7.27 -1.26 -4.92 117.38 113.97 1xm0 n GLN 30 Ca -0.01 -0.23 -0.04 0.00 0.07 0.00 0.00 57.00 56.78 1xm0 n GLN 30 Cb 0.84 -0.71 0.04 0.00 2.41 0.00 0.00 30.24 32.82 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1xm0 n ASN 31 N -0.04 -2.01 -0.24 1.69 0.23 -1.26 -5.00 115.26 108.63 1xm0 n ASN 31 Ca 0.00 -1.92 -0.08 0.00 -0.53 0.00 0.00 54.58 52.05 1xm0 n ASN 31 Cb 0.11 1.09 0.04 0.00 -2.08 0.00 0.00 39.78 38.94 1xm0 n ASN 31 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xm0 h GLU 32 N 4.01 1.11 -0.00 -3.83 3.07 -1.91 -2.46 114.58 114.56 1xm0 h GLU 32 Ca -0.08 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1xm0 h GLU 32 Cb 1.15 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1xm0 h GLU 32 CO -0.04 1.02 -0.21 2.48 -1.40 0.00 0.00 179.01 180.85 1xm0 n TYR 33 N -4.22 0.00 -0.89 4.33 4.11 -1.26 -0.87 117.16 118.35 1xm0 n TYR 33 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1xm0 n TYR 33 Cb 0.29 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.34 39.35 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.86 178.73 1xm0 n TRP 34 N -1.24 -0.00 -1.80 -3.48 -0.00 -0.93 -3.10 117.44 106.90 1xm0 n TRP 34 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.54 1xm0 n TRP 34 Cb 0.32 -1.85 -0.01 0.00 -0.00 0.00 0.00 31.31 29.76 1xm0 n TRP 34 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1xm0 n ASP 35 N -0.53 -1.79 -0.16 5.87 -0.08 -1.26 -4.79 116.55 113.81 1xm0 n ASP 35 Ca -0.00 0.25 -0.14 0.00 -1.51 0.00 0.00 54.79 53.39 1xm0 n ASP 35 Cb 0.44 -1.78 -0.10 0.00 2.34 0.00 0.00 41.12 42.03 1xm0 n ASP 35 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1xm0 h HIS 36 N 0.00 -1.72 -3.41 -0.67 2.76 -1.98 -3.48 115.15 106.65 1xm0 h HIS 36 Ca -0.12 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1xm0 h HIS 36 Cb 0.71 0.81 0.00 0.00 1.55 0.00 0.00 27.41 30.48 1xm0 h HIS 36 CO 0.47 -0.48 -0.83 1.17 -1.30 0.00 0.00 177.93 176.96 1xm0 n LYS 37 N -5.37 -4.22 0.00 5.26 0.00 -1.26 -5.08 118.16 107.49 1xm0 n LYS 37 Ca -0.03 3.13 0.00 0.00 0.00 0.00 0.00 58.31 61.41 1xm0 n LYS 37 Cb 0.34 -3.51 0.00 0.00 0.00 0.00 0.00 35.03 31.85 1xm0 n LYS 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1xm0 n GLU 38 N -0.76 0.00 -1.48 1.64 1.02 -1.26 -4.97 120.64 114.83 1xm0 n GLU 38 Ca 0.00 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.67 1xm0 n GLU 38 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1xm0 n GLU 38 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xm0 n GLU 39 N 0.29 1.09 0.00 3.49 4.71 -1.26 -4.52 120.64 124.44 1xm0 n GLU 39 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1xm0 n GLU 39 Cb 0.00 -2.61 0.00 0.00 -1.01 0.00 0.00 31.44 27.82 1xm0 n GLU 39 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xm0 n GLY 40 N 6.38 1.46 3.41 0.62 0.00 -1.26 0.10 105.19 115.90 1xm0 n GLY 40 Ca 0.41 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1xm0 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xm0 s LEU 41 N 0.00 2.57 0.13 0.99 2.34 -0.50 0.27 118.68 124.48 1xm0 s LEU 41 Ca 0.00 -1.04 -0.20 0.00 0.06 0.00 0.00 54.13 52.95 1xm0 s LEU 41 Cb 0.00 -0.85 -0.07 0.00 -0.56 0.00 0.00 46.19 44.70 1xm0 s LEU 41 CO 0.00 -0.10 0.64 -0.31 -1.06 0.00 0.00 176.35 175.52 1xm0 s TYR 42 N -2.78 3.77 -0.16 3.48 2.02 1.02 -1.07 117.35 123.64 1xm0 s TYR 42 Ca 0.26 1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 58.23 1xm0 s TYR 42 Cb -0.02 -2.56 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1xm0 s TYR 42 CO 0.11 0.51 0.09 0.14 -1.57 0.00 0.00 175.55 174.83 1xm0 s VAL 43 N -1.24 5.08 -0.24 0.71 -7.23 0.92 -1.55 120.40 116.86 1xm0 s VAL 43 Ca 0.34 0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 1xm0 s VAL 43 Cb -0.19 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1xm0 s VAL 43 CO 0.21 0.51 1.56 1.51 -0.31 0.00 0.00 175.10 178.58 1xm0 s ASP 44 N -0.14 6.42 0.00 4.85 1.47 2.11 -2.21 116.67 129.18 1xm0 s ASP 44 Ca 0.09 1.53 0.00 0.00 1.18 0.00 0.00 52.55 55.34 1xm0 s ASP 44 Cb -0.12 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.93 1xm0 s ASP 44 CO 0.01 -1.24 0.00 -0.38 0.68 0.00 0.00 175.17 174.24 1xm0 n ILE 45 N 6.40 0.00 0.09 2.11 2.08 -0.65 -3.89 119.36 125.49 1xm0 n ILE 45 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1xm0 n ILE 45 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1xm0 n VAL 46 N 0.00 0.17 0.00 1.39 0.31 -1.26 -4.77 118.33 114.17 1xm0 n VAL 46 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1xm0 n VAL 46 Cb 0.00 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1xm0 n VAL 46 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xm0 n SER 47 N 1.18 0.00 -0.10 4.52 2.88 -1.25 -2.65 113.62 118.19 1xm0 n SER 47 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1xm0 n SER 47 Cb 0.07 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.41 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xm0 n GLY 48 N 0.00 -0.62 3.53 0.46 0.00 -1.26 -4.75 105.19 102.55 1xm0 n GLY 48 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xm0 n LYS 49 N -4.11 0.87 0.00 1.61 4.81 -1.08 -4.72 118.16 115.53 1xm0 n LYS 49 Ca -0.41 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.11 1xm0 n LYS 49 Cb 0.84 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1xm0 n LYS 49 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xm0 n PRO 50 N 8.75 1.85 0.00 1.64 -0.05 -1.26 0.54 135.00 146.47 1xm0 n PRO 50 Ca 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.89 1xm0 n PRO 50 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.82 1xm0 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 1xm0 n LEU 51 N 0.00 0.00 -3.80 1.53 7.94 -0.59 -2.69 117.00 119.39 1xm0 n LEU 51 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1xm0 n LEU 51 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1xm0 n LEU 51 CO 0.00 0.00 -0.13 -0.36 -1.11 0.00 0.00 177.39 175.79 1xm0 s PHE 52 N 0.00 -0.23 0.53 1.96 0.08 -1.10 -4.79 117.98 114.43 1xm0 s PHE 52 Ca 0.00 0.57 0.03 0.00 0.12 0.00 0.00 56.93 57.65 1xm0 s PHE 52 Cb 0.00 0.08 0.02 0.00 -0.57 0.00 0.00 43.02 42.54 1xm0 s PHE 52 CO 0.00 -0.11 0.20 0.99 -0.10 0.00 0.00 175.22 176.20 1xm0 s THR 53 N 0.16 1.37 0.57 0.64 2.01 -1.26 0.33 115.64 119.46 1xm0 s THR 53 Ca -0.00 -1.75 0.28 0.00 0.31 0.00 0.00 61.69 60.52 1xm0 s THR 53 Cb -0.02 -2.12 0.38 0.00 0.01 0.00 0.00 72.50 70.75 1xm0 s THR 53 CO -0.00 0.00 2.01 -1.28 -0.69 0.00 0.00 174.62 174.66 1xm0 h SER 54 N 1.04 0.00 0.11 3.53 0.87 0.37 3.50 113.55 122.96 1xm0 h SER 54 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1xm0 h SER 54 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1xm0 h SER 54 CO 0.66 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 177.25 1xm0 n LYS 55 N -3.95 0.07 0.00 2.24 4.76 -1.26 -3.11 118.16 116.91 1xm0 n LYS 55 Ca 0.06 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1xm0 n LYS 55 Cb 0.50 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1xm0 n LYS 55 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xm0 n ASP 56 N -1.30 0.00 0.00 4.39 9.92 1.16 -4.40 116.55 126.32 1xm0 n ASP 56 Ca 0.02 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1xm0 n ASP 56 Cb 0.04 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1xm0 n ASP 56 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1xm0 n LYS 57 N -1.50 0.00 0.00 -1.24 0.00 -1.12 -4.01 118.16 110.29 1xm0 n LYS 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1xm0 n LYS 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xm0 n LYS 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1xm0 n PHE 58 N 14.00 0.00 -3.24 5.64 -0.00 -1.26 -2.68 117.46 129.92 1xm0 n PHE 58 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1xm0 n PHE 58 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 1xm0 n PHE 58 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1xm0 s ASP 59 N 0.00 -0.48 0.53 -2.13 1.01 -1.26 -4.92 116.67 109.42 1xm0 s ASP 59 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.18 1xm0 s ASP 59 Cb 0.00 1.51 0.00 0.00 1.01 0.00 0.00 42.92 45.44 1xm0 s ASP 59 CO 0.00 -0.33 0.00 -0.24 0.21 0.00 0.00 175.17 174.81 1xm0 n SER 60 N 5.38 -0.20 -3.45 0.27 2.88 -1.26 -5.02 113.62 112.22 1xm0 n SER 60 Ca 0.02 -0.43 -0.27 0.00 -1.33 0.00 0.00 58.87 56.86 1xm0 n SER 60 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1xm0 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xm0 n GLN 61 N -0.63 2.35 0.00 -1.46 6.02 -1.26 -5.02 117.38 117.38 1xm0 n GLN 61 Ca 0.00 -4.57 0.00 0.00 -0.01 0.00 0.00 57.00 52.42 1xm0 n GLN 61 Cb 0.00 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.07 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xm0 n GLY 63 N 0.00 0.75 2.68 0.00 0.00 -1.26 -4.13 105.19 103.23 1xm0 n GLY 63 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1xm0 n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xm0 s TRP 64 N 0.00 -0.08 -0.06 1.61 0.52 -1.26 -5.12 118.94 114.55 1xm0 s TRP 64 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 56.10 54.97 1xm0 s TRP 64 Cb 0.00 -0.55 -0.06 0.00 -1.15 0.00 0.00 33.47 31.70 1xm0 s TRP 64 CO 0.00 -0.92 1.78 -1.25 0.02 0.00 0.00 176.95 176.58 1xm0 s PRO 65 N 1.60 4.06 -0.07 4.98 0.04 -1.26 -4.83 135.00 139.52 1xm0 s PRO 65 Ca 0.15 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.46 1xm0 s PRO 65 Cb -0.17 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1xm0 s PRO 65 CO -0.11 -1.01 -0.09 -1.12 0.04 0.00 0.00 177.00 174.71 1xm0 s SER 66 N 4.09 4.45 0.31 6.66 0.01 -1.26 -4.70 113.70 123.27 1xm0 s SER 66 Ca 0.80 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 58.00 1xm0 s SER 66 Cb -0.35 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 1xm0 s SER 66 CO 0.34 0.35 0.10 -0.36 0.41 0.00 0.00 173.24 174.07 1xm0 s PHE 67 N -0.71 1.71 0.00 2.43 0.08 -0.91 -4.37 117.98 116.22 1xm0 s PHE 67 Ca 0.11 -1.17 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1xm0 s PHE 67 Cb -0.11 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 1xm0 s PHE 67 CO 0.01 -0.27 0.00 2.41 -0.10 0.00 0.00 175.22 177.27 1xm0 n THR 68 N -0.62 0.00 0.00 0.64 -1.04 -1.09 -0.17 114.28 111.99 1xm0 n THR 68 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xm0 n THR 68 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xm0 n LYS 69 N 0.00 0.00 0.00 -2.82 4.76 0.38 -4.57 118.16 115.91 1xm0 n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xm0 n LYS 69 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xm0 n PRO 70 N 0.00 0.00 -1.45 1.97 -0.04 -1.26 -1.48 135.00 132.73 1xm0 n PRO 70 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1xm0 n PRO 70 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1xm0 n PRO 70 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xm0 n ILE 71 N 0.00 1.87 0.00 0.52 -5.35 -1.26 -4.78 119.36 110.35 1xm0 n ILE 71 Ca 0.00 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1xm0 n ILE 71 Cb 0.00 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1xm0 n ILE 71 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1xm0 n GLU 72 N 0.89 0.00 0.00 6.28 2.13 -1.26 -4.98 120.64 123.70 1xm0 n GLU 72 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1xm0 n GLU 72 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 1xm0 n GLU 72 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1xm0 n GLU 73 N 0.00 0.00 0.00 5.31 2.13 -1.26 -4.79 120.64 122.03 1xm0 n GLU 73 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xm0 n GLU 73 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xm0 n GLU 74 N 0.00 0.00 -3.93 5.31 1.02 -1.26 -4.64 120.64 117.14 1xm0 n GLU 74 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1xm0 n GLU 74 Cb 0.00 -1.08 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xm0 s VAL 75 N -0.57 0.08 0.19 2.62 -7.23 -1.26 -3.67 120.40 110.56 1xm0 s VAL 75 Ca 0.00 -0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.18 1xm0 s VAL 75 Cb 0.00 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.82 1xm0 s VAL 75 CO 0.00 0.03 0.19 -0.70 -0.31 0.00 0.00 175.10 174.30 1xm0 s GLU 76 N 0.01 3.01 0.06 4.82 2.56 0.68 -4.88 118.70 124.97 1xm0 s GLU 76 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 54.97 54.00 1xm0 s GLU 76 Cb -0.01 -2.68 -0.06 0.00 2.00 0.00 0.00 34.13 33.39 1xm0 s GLU 76 CO -0.00 0.46 0.37 -1.83 -0.56 0.00 0.00 175.26 173.70 1xm0 s GLU 77 N -3.39 3.72 0.17 4.30 -1.05 -1.26 -0.87 118.70 120.32 1xm0 s GLU 77 Ca 0.32 0.11 0.09 0.00 -0.15 0.00 0.00 54.97 55.35 1xm0 s GLU 77 Cb -0.09 -3.01 -0.04 0.00 -0.44 0.00 0.00 34.13 30.54 1xm0 s GLU 77 CO 0.25 0.58 -0.14 0.15 0.95 0.00 0.00 175.26 177.05 1xm0 s LYS 78 N -1.89 1.90 -0.12 -4.83 -0.14 0.18 -4.88 119.74 109.96 1xm0 s LYS 78 Ca 0.32 -1.31 -0.17 0.00 -1.36 0.00 0.00 55.97 53.45 1xm0 s LYS 78 Cb -0.14 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 1xm0 s LYS 78 CO 0.18 0.43 0.42 -1.17 -0.76 0.00 0.00 175.35 174.45 1xm0 s LEU 79 N -2.69 4.29 -0.19 3.17 2.96 -1.26 -3.20 118.68 121.75 1xm0 s LEU 79 Ca 0.23 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.80 1xm0 s LEU 79 Cb -0.09 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1xm0 s LEU 79 CO 0.13 0.06 0.10 -1.81 -1.32 0.00 0.00 176.35 173.51 1xm0 s ASP 80 N 0.42 5.99 0.99 3.68 1.11 -1.25 -4.93 116.67 122.67 1xm0 s ASP 80 Ca 0.23 0.17 -0.12 0.00 0.18 0.00 0.00 52.55 53.01 1xm0 s ASP 80 Cb -0.15 -2.04 0.19 0.00 1.07 0.00 0.00 42.92 41.99 1xm0 s ASP 80 CO 0.09 0.18 0.42 0.41 1.18 0.00 0.00 175.17 177.45 1xm0 n THR 81 N 3.54 0.00 -0.01 -1.27 -1.04 -1.26 -4.75 114.28 109.49 1xm0 n THR 81 Ca -0.16 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.81 1xm0 n THR 81 Cb 0.52 -0.48 0.02 0.00 -1.82 0.00 0.00 70.33 68.57 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xm0 n SER 82 N -1.92 4.47 -2.66 8.00 3.41 -1.26 -4.63 113.62 119.05 1xm0 n SER 82 Ca 0.07 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1xm0 n SER 82 Cb 0.29 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xm0 n HIS 83 N 0.73 -2.69 0.10 7.33 -0.00 -1.26 -4.85 115.22 114.58 1xm0 n HIS 83 Ca 0.09 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 57.99 1xm0 n HIS 83 Cb 0.59 0.00 0.74 0.00 -0.00 0.00 0.00 29.99 31.32 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1xm0 h GLY 84 N -0.60 0.00 -5.78 1.57 0.00 -2.02 -3.40 103.07 92.83 1xm0 h GLY 84 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1xm0 h GLY 84 CO 0.00 0.00 -0.52 1.06 0.00 0.00 0.00 176.54 177.08 1xm0 s MET 85 N -4.82 0.18 -0.26 4.80 1.00 -1.26 -5.14 119.30 113.81 1xm0 s MET 85 Ca -0.05 0.35 -0.09 0.00 0.00 0.00 0.00 55.69 55.91 1xm0 s MET 85 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 1xm0 s MET 85 CO 0.63 -0.10 0.12 0.42 0.00 0.00 0.00 175.02 176.09 1xm0 s ILE 86 N 0.67 4.76 0.16 2.53 1.01 -1.26 -4.85 121.20 124.22 1xm0 s ILE 86 Ca -0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 1xm0 s ILE 86 Cb -0.06 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1xm0 s ILE 86 CO -0.04 0.31 0.20 -0.13 0.00 0.00 0.00 174.94 175.29 1xm0 s ARG 87 N 1.57 1.10 -0.43 2.79 0.52 -1.26 -5.04 118.95 118.19 1xm0 s ARG 87 Ca 0.06 -1.31 -0.26 0.00 -0.52 0.00 0.00 55.73 53.70 1xm0 s ARG 87 Cb -0.15 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.67 1xm0 s ARG 87 CO 0.06 -0.37 0.97 0.99 0.02 0.00 0.00 175.30 176.97 1xm0 s THR 88 N -4.01 4.45 0.14 0.02 2.01 -1.26 -3.89 115.64 113.10 1xm0 s THR 88 Ca 0.22 1.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 1xm0 s THR 88 Cb 0.05 -4.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 1xm0 s THR 88 CO 0.02 -0.78 0.78 -1.61 -0.69 0.00 0.00 174.62 172.34 1xm0 s GLU 89 N 3.82 4.56 -0.24 4.92 2.02 -1.19 -2.51 118.70 130.07 1xm0 s GLU 89 Ca 0.40 1.15 -0.07 0.00 0.02 0.00 0.00 54.97 56.47 1xm0 s GLU 89 Cb -0.10 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1xm0 s GLU 89 CO 0.25 0.50 0.06 0.08 0.02 0.00 0.00 175.26 176.17 1xm0 s VAL 90 N -0.89 4.27 0.03 2.63 1.01 1.18 0.47 120.40 129.11 1xm0 s VAL 90 Ca 0.37 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.24 1xm0 s VAL 90 Cb -0.23 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1xm0 s VAL 90 CO 0.26 0.36 -0.25 0.00 0.00 0.00 0.00 175.10 175.47 1xm0 s ARG 91 N 1.47 1.90 0.43 2.72 1.70 -0.05 0.61 118.95 127.72 1xm0 s ARG 91 Ca 0.06 -1.06 0.06 0.00 -0.47 0.00 0.00 55.73 54.31 1xm0 s ARG 91 Cb -0.15 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.21 1xm0 s ARG 91 CO 0.03 0.53 0.59 0.45 -1.08 0.00 0.00 175.30 175.82 1xm0 s SER 92 N -1.19 5.68 0.07 -2.89 0.15 -0.15 0.25 113.70 115.62 1xm0 s SER 92 Ca 0.12 -0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.30 1xm0 s SER 92 Cb -0.10 -0.94 -0.16 0.00 -1.71 0.00 0.00 66.02 63.11 1xm0 s SER 92 CO 0.02 -0.74 1.65 0.03 1.20 0.00 0.00 173.24 175.40 1xm0 h ARG 93 N 0.57 -0.23 -1.01 5.44 -0.00 -1.95 -2.52 114.38 114.67 1xm0 h ARG 93 Ca -0.43 0.02 0.25 0.00 -0.50 0.00 0.00 59.98 59.32 1xm0 h ARG 93 Cb 1.27 0.05 -0.09 0.00 0.00 0.00 0.00 29.97 31.20 1xm0 h ARG 93 CO 0.50 -0.11 0.65 1.15 0.00 0.00 0.00 179.97 182.15 1xm0 h THR 94 N -0.30 0.57 0.00 2.04 2.02 -1.96 -3.46 112.91 111.83 1xm0 h THR 94 Ca -0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1xm0 h THR 94 Cb 0.23 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1xm0 h THR 94 CO 0.04 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1xm0 n ALA 95 N -2.45 0.00 0.37 6.16 0.00 -0.95 -5.00 120.51 118.65 1xm0 n ALA 95 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1xm0 n ALA 95 Cb 0.80 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.58 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xm0 h ASP 96 N 0.00 0.00 -0.11 0.00 5.19 -1.89 -0.38 116.42 119.23 1xm0 h ASP 96 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1xm0 h ASP 96 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1xm0 h ASP 96 CO 0.00 0.00 -0.06 -1.20 -3.12 0.00 0.00 179.24 174.86 1xm0 n SER 97 N -2.76 -0.12 -4.36 6.45 7.64 -1.26 -3.44 113.62 115.76 1xm0 n SER 97 Ca 0.04 0.53 -0.54 0.00 1.01 0.00 0.00 58.87 59.91 1xm0 n SER 97 Cb 0.45 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 1xm0 n SER 97 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xm0 n HIS 98 N -2.96 1.35 -0.48 1.43 8.25 -1.26 -4.65 115.22 116.90 1xm0 n HIS 98 Ca 0.00 0.49 0.05 0.00 -0.26 0.00 0.00 57.72 58.00 1xm0 n HIS 98 Cb 0.03 -2.42 0.10 0.00 1.12 0.00 0.00 29.99 28.82 1xm0 n HIS 98 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xm0 n LEU 99 N 9.01 2.48 -2.49 2.41 7.99 0.20 -1.59 117.00 135.01 1xm0 n LEU 99 Ca 0.48 -2.46 -0.22 0.00 -0.01 0.00 0.00 56.01 53.80 1xm0 n LEU 99 Cb 0.11 -0.23 0.02 0.00 -0.11 0.00 0.00 43.42 43.21 1xm0 n LEU 99 CO 0.82 0.62 -0.76 0.61 -1.51 0.00 0.00 177.39 177.17 1xm0 n GLY 100 N -0.63 -2.75 3.36 -0.72 0.00 -0.40 -2.81 105.19 101.24 1xm0 n GLY 100 Ca 0.09 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1xm0 n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xm0 s HIS 101 N -1.23 2.89 -0.18 1.61 2.46 -1.05 0.37 115.29 120.17 1xm0 s HIS 101 Ca 0.26 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1xm0 s HIS 101 Cb -0.14 -1.95 0.01 0.00 -0.13 0.00 0.00 32.58 30.37 1xm0 s HIS 101 CO 0.50 -0.32 -0.17 0.54 -2.47 0.00 0.00 174.74 172.82 1xm0 s VAL 102 N 0.76 2.37 0.16 0.89 0.11 -1.04 0.29 120.40 123.95 1xm0 s VAL 102 Ca -0.04 -0.85 0.11 0.00 -2.93 0.00 0.00 61.98 58.28 1xm0 s VAL 102 Cb -0.15 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 1xm0 s VAL 102 CO 0.02 0.52 -0.24 0.12 -3.33 0.00 0.00 175.10 172.18 1xm0 s PHE 103 N 1.17 2.33 -0.33 1.54 5.36 0.14 -4.65 117.98 123.54 1xm0 s PHE 103 Ca 0.02 -0.36 -0.20 0.00 -0.96 0.00 0.00 56.93 55.43 1xm0 s PHE 103 Cb -0.14 -1.20 -0.00 0.00 -0.34 0.00 0.00 43.02 41.33 1xm0 s PHE 103 CO -0.08 0.43 0.60 1.21 -1.46 0.00 0.00 175.22 175.93 1xm0 s ASN 104 N -2.40 6.43 -0.22 6.13 3.84 -1.26 -1.69 114.94 125.77 1xm0 s ASN 104 Ca 0.18 0.23 0.05 0.00 0.21 0.00 0.00 52.86 53.53 1xm0 s ASN 104 Cb -0.09 -2.31 0.43 0.00 -0.55 0.00 0.00 41.25 38.73 1xm0 s ASN 104 CO 0.09 -0.51 1.42 -0.67 -2.79 0.00 0.00 177.10 174.64 1xm0 n ASP 105 N 5.89 3.60 0.00 -4.21 2.03 -1.25 -5.00 116.55 117.61 1xm0 n ASP 105 Ca -0.02 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1xm0 n ASP 105 Cb 0.49 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xm0 n GLY 106 N -0.14 3.26 3.74 0.27 0.00 -1.26 -4.69 105.19 106.37 1xm0 n GLY 106 Ca 0.28 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1xm0 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xm0 s PRO 107 N 0.00 0.24 0.00 1.61 0.04 -1.26 -4.36 135.00 131.26 1xm0 s PRO 107 Ca 0.00 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1xm0 s PRO 107 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1xm0 s PRO 107 CO 0.00 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1xm0 n GLY 108 N -1.99 0.45 0.04 0.56 0.00 -1.26 -4.75 105.19 98.24 1xm0 n GLY 108 Ca 0.10 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 1xm0 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xm0 h PRO 109 N 0.00 -0.08 0.00 1.61 0.13 -1.93 -3.43 132.00 128.31 1xm0 h PRO 109 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1xm0 h PRO 109 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1xm0 h PRO 109 CO 0.00 -0.05 -0.59 -1.71 -0.23 0.00 0.00 178.00 175.42 1xm0 n ASN 110 N -2.52 2.42 0.00 1.44 5.15 -1.23 -5.01 115.26 115.51 1xm0 n ASN 110 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1xm0 n ASN 110 Cb 0.04 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1xm0 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xm0 n GLY 111 N 2.62 1.78 3.25 8.20 0.00 -1.04 -4.98 105.19 115.02 1xm0 n GLY 111 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xm0 n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 112 N 0.00 2.65 -0.29 0.99 2.96 -0.55 -3.96 118.68 120.48 1xm0 s LEU 112 Ca 0.00 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1xm0 s LEU 112 Cb 0.00 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.10 1xm0 s LEU 112 CO 0.00 -0.01 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.40 1xm0 s ARG 113 N 1.38 2.28 -0.18 1.98 3.52 -0.68 0.14 118.95 127.39 1xm0 s ARG 113 Ca 0.05 -1.36 -0.01 0.00 -0.13 0.00 0.00 55.73 54.28 1xm0 s ARG 113 Cb -0.14 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1xm0 s ARG 113 CO -0.06 -0.65 -0.14 -0.47 -0.81 0.00 0.00 175.30 173.18 1xm0 s TYR 114 N 1.17 2.83 -0.33 5.12 6.14 0.76 0.29 117.35 133.32 1xm0 s TYR 114 Ca -0.05 -1.15 -0.08 0.00 0.64 0.00 0.00 57.07 56.43 1xm0 s TYR 114 Cb -0.20 -1.95 0.02 0.00 0.42 0.00 0.00 41.96 40.25 1xm0 s TYR 114 CO -0.03 -0.56 0.14 0.00 0.64 0.00 0.00 175.55 175.73 1xm0 s ILE 116 N 1.52 2.80 -0.12 0.00 1.10 -1.26 -2.51 121.20 122.72 1xm0 s ILE 116 Ca 0.02 -1.86 -0.10 0.00 -0.51 0.00 0.00 60.65 58.20 1xm0 s ILE 116 Cb -0.18 -2.38 -0.05 0.00 0.15 0.00 0.00 42.46 40.00 1xm0 s ILE 116 CO 0.04 -0.13 0.21 0.54 -2.11 0.00 0.00 174.94 173.49 1xm0 s ASN 117 N -2.82 6.43 0.56 4.50 4.22 -1.26 -4.54 114.94 122.03 1xm0 s ASN 117 Ca 0.24 0.51 0.32 0.00 -2.14 0.00 0.00 52.86 51.78 1xm0 s ASN 117 Cb -0.08 -2.12 1.68 0.00 1.28 0.00 0.00 41.25 42.01 1xm0 s ASN 117 CO 0.13 0.30 2.15 -1.28 -2.04 0.00 0.00 177.10 176.36 1xm0 h SER 118 N 5.56 0.00 0.71 3.54 0.87 -1.24 0.28 113.55 123.26 1xm0 h SER 118 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xm0 h SER 118 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xm0 h SER 118 CO 0.65 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 177.02 1xm0 n ALA 119 N -2.23 2.00 -0.12 6.23 0.00 -1.26 -2.20 120.51 122.94 1xm0 n ALA 119 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xm0 n ALA 119 Cb 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xm0 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm0 n ALA 120 N -1.48 2.05 -2.29 0.00 0.00 -0.08 -5.02 120.51 113.68 1xm0 n ALA 120 Ca 0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1xm0 n ALA 120 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 1xm0 n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xm0 s LEU 121 N -0.33 2.48 -0.05 0.00 2.01 0.78 -1.63 118.68 121.94 1xm0 s LEU 121 Ca 0.00 -1.05 0.00 0.00 0.01 0.00 0.00 54.13 53.09 1xm0 s LEU 121 Cb 0.00 -0.43 0.02 0.00 0.01 0.00 0.00 46.19 45.79 1xm0 s LEU 121 CO 0.00 -0.32 -0.02 -0.13 1.01 0.00 0.00 176.35 176.89 1xm0 s ARG 122 N -3.74 0.66 -0.05 1.70 1.81 -0.94 -4.57 118.95 113.82 1xm0 s ARG 122 Ca 0.21 -0.01 -0.11 0.00 -1.72 0.00 0.00 55.73 54.10 1xm0 s ARG 122 Cb 0.02 -0.80 -0.05 0.00 -0.45 0.00 0.00 34.95 33.67 1xm0 s ARG 122 CO 0.04 -0.15 0.29 0.12 -0.68 0.00 0.00 175.30 174.91 1xm0 s PHE 123 N 1.23 3.67 -0.06 -0.53 2.19 -1.26 0.31 117.98 123.53 1xm0 s PHE 123 Ca -0.06 0.78 -0.03 0.00 0.33 0.00 0.00 56.93 57.94 1xm0 s PHE 123 Cb -0.14 -2.13 0.03 0.00 -1.31 0.00 0.00 43.02 39.48 1xm0 s PHE 123 CO -0.02 0.68 0.14 0.54 1.83 0.00 0.00 175.22 178.40 1xm0 s VAL 124 N -1.07 -0.03 0.48 3.12 0.11 -0.23 -4.97 120.40 117.81 1xm0 s VAL 124 Ca 0.20 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.14 1xm0 s VAL 124 Cb -0.14 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 1xm0 s VAL 124 CO 0.09 0.05 1.27 -2.16 -3.33 0.00 0.00 175.10 171.02 1xm0 s PRO 125 N 0.80 3.56 0.58 1.54 0.04 -1.26 -1.41 135.00 138.85 1xm0 s PRO 125 Ca -0.06 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.28 1xm0 s PRO 125 Cb -0.08 -2.42 1.69 0.00 0.04 0.00 0.00 34.50 33.73 1xm0 s PRO 125 CO -0.04 -0.79 2.20 1.57 0.04 0.00 0.00 177.00 179.98 1xm0 h LYS 126 N 1.94 0.00 0.00 4.56 2.10 0.32 3.35 116.57 128.83 1xm0 h LYS 126 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1xm0 h LYS 126 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1xm0 h LYS 126 CO 0.59 0.00 -0.76 0.72 -2.00 0.00 0.00 179.45 178.00 1xm0 n HIS 127 N -3.95 0.39 -0.01 0.07 8.25 -1.26 -4.07 115.22 114.63 1xm0 n HIS 127 Ca -0.02 0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1xm0 n HIS 127 Cb 0.15 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.69 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xm0 n LYS 128 N -1.99 1.03 0.27 -0.41 4.81 -0.77 -4.56 118.16 116.54 1xm0 n LYS 128 Ca 0.03 -0.03 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1xm0 n LYS 128 Cb 0.43 -1.12 0.79 0.00 0.02 0.00 0.00 35.03 35.14 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1xm0 h LEU 129 N 0.00 0.00 -0.85 3.14 8.10 0.60 -0.96 115.31 125.34 1xm0 h LEU 129 Ca -0.04 0.00 0.11 0.00 0.11 0.00 0.00 57.88 58.06 1xm0 h LEU 129 Cb 0.54 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.68 1xm0 h LEU 129 CO 0.00 0.08 0.48 0.07 -4.11 0.00 0.00 178.44 174.96 1xm0 h LYS 130 N 0.00 0.76 0.00 0.17 2.10 -1.77 2.15 116.57 119.98 1xm0 h LYS 130 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1xm0 h LYS 130 Cb 0.20 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1xm0 h LYS 130 CO 0.01 0.50 0.00 0.39 -2.00 0.00 0.00 179.45 178.35 1xm0 n GLU 131 N -4.75 0.00 -0.00 0.07 1.02 -0.37 0.52 120.64 117.13 1xm0 n GLU 131 Ca 0.15 0.35 0.09 0.00 -0.02 0.00 0.00 57.16 57.73 1xm0 n GLU 131 Cb 0.32 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 1xm0 n GLU 131 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xm0 n GLU 132 N -1.35 0.68 0.00 3.49 4.07 0.72 -4.99 120.64 123.26 1xm0 n GLU 132 Ca 0.00 -0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1xm0 n GLU 132 Cb 0.00 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xm0 n GLY 133 N 1.43 0.79 1.32 8.31 0.00 0.18 -4.84 105.19 112.38 1xm0 n GLY 133 Ca 0.01 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1xm0 n GLY 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xm0 n TYR 134 N 0.00 1.25 0.28 1.61 4.11 -1.19 -4.32 117.16 118.90 1xm0 n TYR 134 Ca 0.00 -0.65 0.17 0.00 -0.00 0.00 0.00 57.90 57.42 1xm0 n TYR 134 Cb 0.00 -0.24 0.83 0.00 -0.00 0.00 0.00 39.34 39.93 1xm0 n TYR 134 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1xm0 h GLU 135 N 3.32 0.00 0.00 -3.48 5.08 -1.93 -2.41 114.58 115.17 1xm0 h GLU 135 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xm0 h GLU 135 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1xm0 h GLU 135 CO 0.21 0.00 -0.89 0.43 -1.00 0.00 0.00 179.01 177.76 1xm0 n SER 136 N -3.11 4.44 0.09 1.42 7.64 -1.26 -4.74 113.62 118.10 1xm0 n SER 136 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1xm0 n SER 136 Cb 0.40 0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 64.03 1xm0 n SER 136 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1xm0 h TYR 137 N 0.00 -0.15 0.00 1.43 0.05 -1.63 -2.58 116.97 114.09 1xm0 h TYR 137 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1xm0 h TYR 137 Cb 0.79 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 1xm0 h TYR 137 CO 0.00 -0.06 -0.06 -0.07 -1.05 0.00 0.00 178.16 176.92 1xm0 h LEU 138 N -0.19 0.00 -1.56 3.88 4.07 -1.82 -2.09 115.31 117.59 1xm0 h LEU 138 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1xm0 h LEU 138 Cb 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1xm0 h LEU 138 CO 0.03 0.06 -0.13 -0.74 -1.08 0.00 0.00 178.44 176.57 1xm0 h HIS 139 N 0.00 0.12 -0.49 1.13 2.76 -1.67 -2.39 115.15 114.60 1xm0 h HIS 139 Ca -0.00 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1xm0 h HIS 139 Cb 0.22 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 1xm0 h HIS 139 CO 0.00 0.25 0.62 1.25 -1.30 0.00 0.00 177.93 178.76 1xm0 h LEU 140 N 0.11 0.00 -5.22 0.26 6.46 -1.40 -1.20 115.31 114.32 1xm0 h LEU 140 Ca 0.02 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.19 1xm0 h LEU 140 Cb 0.30 0.00 -0.42 0.00 -0.73 0.00 0.00 40.66 39.82 1xm0 h LEU 140 CO 0.02 0.00 -0.64 0.33 -0.62 0.00 0.00 178.44 177.53 1xm0 n PHE 141 N -3.47 4.00 -3.94 1.25 7.35 -0.90 -5.06 117.46 116.68 1xm0 n PHE 141 Ca 0.10 -3.91 -0.30 0.00 -0.76 0.00 0.00 57.45 52.58 1xm0 n PHE 141 Cb 0.81 -0.46 -0.04 0.00 0.35 0.00 0.00 39.48 40.14 1xm0 n PHE 141 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1xm0 s ASN 142 N -3.47 6.24 0.36 -2.13 2.47 -0.45 -5.08 114.94 112.87 1xm0 s ASN 142 Ca 0.49 0.20 0.08 0.00 0.42 0.00 0.00 52.86 54.06 1xm0 s ASN 142 Cb 0.29 -1.88 -0.05 0.00 -1.45 0.00 0.00 41.25 38.16 1xm0 s ASN 142 CO -0.14 0.14 0.06 -0.75 -3.72 0.00 0.00 177.10 172.69 1xm0 s LYS 143 N -2.68 2.14 0.26 0.43 2.47 -1.26 -5.14 119.74 115.95 1xm0 s LYS 143 Ca 0.34 -1.76 -0.22 0.00 -1.56 0.00 0.00 55.97 52.78 1xm0 s LYS 143 Cb -0.12 -1.96 0.03 0.00 -1.46 0.00 0.00 37.83 34.32 1xm0 s LYS 143 CO 0.27 0.08 0.79 -0.51 0.16 0.00 0.00 175.35 176.14 1xm0 s LEU 144 N -3.77 -0.21 0.03 5.43 1.43 -1.26 -5.12 118.68 115.21 1xm0 s LEU 144 Ca 0.36 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1xm0 s LEU 144 Cb 0.01 2.59 0.00 0.00 0.03 0.00 0.00 46.19 48.82 1xm0 s LEU 144 CO 0.20 -1.27 0.00 1.21 0.23 0.00 0.00 176.35 176.73 1xm0 n GLU 145 N -0.47 -2.84 -0.00 1.70 2.13 -1.26 -5.02 120.64 114.87 1xm0 n GLU 145 Ca -0.05 2.28 -0.00 0.00 0.66 0.00 0.00 57.16 60.05 1xm0 n GLU 145 Cb 0.59 -2.70 -0.00 0.00 0.27 0.00 0.00 31.44 29.60 1xm0 n GLU 145 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1xm0 h HIS 146 N 2.30 0.00 0.00 4.31 2.76 -2.09 -3.57 115.15 118.86 1xm0 h HIS 146 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xm0 h HIS 146 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1xm0 h HIS 146 CO 0.00 0.00 0.00 0.72 -1.30 0.00 0.00 177.93 177.35