#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 0.00 -4.04 3.04 0.00 -1.26 -5.09 120.51 113.16 1xm0 n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1xm0 n ALA 2 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1xm0 n ALA 2 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xm0 s TYR 3 N -1.89 3.23 -0.16 0.00 5.04 -1.26 -5.09 117.35 117.23 1xm0 s TYR 3 Ca 0.00 -2.39 0.01 0.00 -2.44 0.00 0.00 57.07 52.25 1xm0 s TYR 3 Cb 0.00 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1xm0 s TYR 3 CO 0.00 -0.88 -0.18 1.21 -1.34 0.00 0.00 175.55 174.36 1xm0 s ASN 4 N 1.11 3.39 0.20 4.32 3.84 -1.26 -5.01 114.94 121.53 1xm0 s ASN 4 Ca -0.04 -0.55 0.09 0.00 0.21 0.00 0.00 52.86 52.57 1xm0 s ASN 4 Cb -0.20 -1.52 0.52 0.00 -0.55 0.00 0.00 41.25 39.50 1xm0 s ASN 4 CO -0.06 0.05 1.18 0.29 -2.79 0.00 0.00 177.10 175.78 1xm0 n LYS 5 N 4.25 0.06 -0.10 0.43 4.01 -1.26 -2.76 118.16 122.80 1xm0 n LYS 5 Ca -0.20 0.50 -0.06 0.00 -0.51 0.00 0.00 58.31 58.03 1xm0 n LYS 5 Cb 0.51 -1.91 0.01 0.00 -0.51 0.00 0.00 35.03 33.13 1xm0 n LYS 5 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1xm0 h GLU 6 N 0.00 0.24 -0.12 1.97 4.81 -2.00 0.58 114.58 120.06 1xm0 h GLU 6 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1xm0 h GLU 6 Cb 0.41 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1xm0 h GLU 6 CO 0.00 0.16 0.10 0.93 -0.73 0.00 0.00 179.01 179.47 1xm0 h GLU 7 N 0.25 0.00 0.00 1.92 5.08 -1.92 0.34 114.58 120.25 1xm0 h GLU 7 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xm0 h GLU 7 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1xm0 h GLU 7 CO -0.17 0.00 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.42 1xm0 h LYS 8 N 0.00 0.00 0.00 2.33 3.64 -0.05 1.12 116.57 123.61 1xm0 h LYS 8 Ca 0.06 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1xm0 h LYS 8 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1xm0 h LYS 8 CO -0.00 0.20 -1.03 -0.84 -2.27 0.00 0.00 179.45 175.51 1xm0 h ILE 9 N 0.00 0.39 0.00 2.00 -0.00 0.11 -3.41 117.51 116.59 1xm0 h ILE 9 Ca -0.00 -1.69 0.00 0.00 -0.00 0.00 0.00 64.86 63.17 1xm0 h ILE 9 Cb 0.40 1.95 0.00 0.00 -0.00 0.00 0.00 36.82 39.18 1xm0 h ILE 9 CO 0.03 0.22 0.00 1.17 -0.00 0.00 0.00 178.15 179.57 1xm0 n LYS 10 N -2.91 0.00 0.00 0.16 4.81 -0.89 -2.98 118.16 116.35 1xm0 n LYS 10 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1xm0 n LYS 10 Cb 0.72 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.77 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1xm0 n SER 11 N -1.01 0.00 0.00 3.14 2.88 0.38 -4.38 113.62 114.63 1xm0 n SER 11 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xm0 n SER 11 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xm0 n LEU 12 N -2.98 0.00 -4.82 2.46 -0.00 -0.92 -4.95 117.00 105.79 1xm0 n LEU 12 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 1xm0 n LEU 12 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1xm0 n LEU 12 CO 0.00 0.00 0.68 0.54 -0.00 0.00 0.00 177.39 178.61 1xm0 s ASN 13 N -4.00 6.59 0.48 1.45 4.22 -1.26 -4.43 114.94 117.99 1xm0 s ASN 13 Ca 0.00 1.71 0.19 0.00 -2.14 0.00 0.00 52.86 52.62 1xm0 s ASN 13 Cb 0.00 -2.53 1.21 0.00 1.28 0.00 0.00 41.25 41.21 1xm0 s ASN 13 CO 0.00 -0.61 1.98 -0.09 -2.04 0.00 0.00 177.10 176.35 1xm0 h ARG 14 N 1.34 0.20 -0.02 3.55 1.12 -1.95 -0.59 114.38 118.03 1xm0 h ARG 14 Ca -0.48 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.36 1xm0 h ARG 14 Cb 1.19 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1xm0 h ARG 14 CO 0.60 0.13 -0.05 0.52 -3.11 0.00 0.00 179.97 178.06 1xm0 h MET 15 N 0.21 0.07 -0.67 0.20 0.00 -2.02 -3.25 114.93 109.46 1xm0 h MET 15 Ca 0.27 -0.05 0.17 0.00 0.00 0.00 0.00 59.70 60.09 1xm0 h MET 15 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 31.60 32.37 1xm0 h MET 15 CO -0.05 0.66 0.47 0.37 0.00 0.00 0.00 176.91 178.36 1xm0 h GLN 16 N -0.51 0.16 -0.61 1.72 4.15 -1.50 -1.18 115.11 117.35 1xm0 h GLN 16 Ca -0.00 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.53 1xm0 h GLN 16 Cb 0.67 -0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.20 1xm0 h GLN 16 CO 0.01 0.11 -0.19 -0.92 -1.93 0.00 0.00 178.83 175.91 1xm0 h TYR 17 N 0.17 -0.45 -0.09 3.99 5.03 -1.37 0.94 116.97 125.18 1xm0 h TYR 17 Ca 0.32 0.06 -0.12 0.00 2.58 0.00 0.00 58.73 61.57 1xm0 h TYR 17 Cb 1.04 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 1xm0 h TYR 17 CO -0.00 -0.29 -0.50 1.05 -1.32 0.00 0.00 178.16 177.10 1xm0 h GLU 18 N -0.04 0.23 -0.42 1.82 4.11 -1.40 -3.03 114.58 115.85 1xm0 h GLU 18 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 1xm0 h GLU 18 Cb 0.48 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1xm0 h GLU 18 CO -0.64 0.68 0.22 -0.39 0.07 0.00 0.00 179.01 178.94 1xm0 h VAL 19 N 0.18 1.13 -0.66 -1.06 -1.51 -0.58 0.91 116.25 114.66 1xm0 h VAL 19 Ca 0.01 -0.34 0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1xm0 h VAL 19 Cb 0.95 0.58 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 1xm0 h VAL 19 CO 0.08 0.15 0.42 0.74 -1.23 0.00 0.00 177.57 177.73 1xm0 h THR 20 N 0.57 1.12 0.00 7.19 2.02 -1.12 0.71 112.91 123.41 1xm0 h THR 20 Ca 0.15 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1xm0 h THR 20 Cb 0.02 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1xm0 h THR 20 CO -0.02 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1xm0 n GLN 21 N -4.66 0.76 -0.46 6.66 3.00 -0.07 -4.84 117.38 117.77 1xm0 n GLN 21 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1xm0 n GLN 21 Cb 0.05 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.79 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 -1.02 0.00 0.13 1.08 2.85 0.24 -4.91 115.26 113.64 1xm0 n ASN 22 Ca 0.19 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.80 1xm0 n ASN 22 Cb 0.09 0.00 0.67 0.00 1.24 0.00 0.00 39.78 41.78 1xm0 n ASN 22 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1xm0 h ASN 23 N 0.00 0.00 -5.05 1.20 -0.26 -1.09 -3.44 115.58 106.94 1xm0 h ASN 23 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1xm0 h ASN 23 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.10 1xm0 h ASN 23 CO 0.00 0.00 -0.12 -0.83 -1.06 0.00 0.00 177.43 175.42 1xm0 s GLY 24 N -4.04 -0.25 0.09 2.83 0.00 -1.24 -4.89 107.32 99.81 1xm0 s GLY 24 Ca -0.05 0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 1xm0 s GLY 24 CO 0.70 -0.05 1.10 -0.51 0.00 0.00 0.00 173.10 174.33 1xm0 s THR 25 N -2.74 4.20 0.27 0.90 -4.23 -1.26 -4.14 115.64 108.64 1xm0 s THR 25 Ca -0.04 1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 61.88 1xm0 s THR 25 Cb -0.00 -4.08 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 1xm0 s THR 25 CO -0.04 0.19 0.98 -0.70 -0.54 0.00 0.00 174.62 174.51 1xm0 s GLU 26 N 0.50 4.71 0.66 3.99 -6.30 -1.26 -5.01 118.70 115.99 1xm0 s GLU 26 Ca 0.53 1.54 -0.17 0.00 -2.50 0.00 0.00 54.97 54.37 1xm0 s GLU 26 Cb -0.27 -3.12 -0.06 0.00 0.00 0.00 0.00 34.13 30.68 1xm0 s GLU 26 CO 0.31 0.36 0.53 -0.35 0.02 0.00 0.00 175.26 176.13 1xm0 n PRO 27 N 1.15 0.40 0.00 4.30 -0.04 -1.26 -5.00 135.00 134.55 1xm0 n PRO 27 Ca -0.01 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1xm0 n PRO 27 Cb 0.47 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1xm0 n PRO 27 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1xm0 n PRO 28 N -0.42 -0.18 -3.12 0.54 -0.04 -1.26 -5.04 135.00 125.48 1xm0 n PRO 28 Ca 0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1xm0 n PRO 28 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1xm0 n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1xm0 n PHE 29 N -1.67 -0.42 0.24 0.54 1.16 -1.26 -4.85 117.46 111.20 1xm0 n PHE 29 Ca 0.00 -3.49 0.14 0.00 -1.87 0.00 0.00 57.45 52.23 1xm0 n PHE 29 Cb 0.00 -0.08 0.37 0.00 -1.61 0.00 0.00 39.48 38.16 1xm0 n PHE 29 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1xm0 h GLN 30 N 3.21 0.00 0.00 3.97 4.15 -2.01 -3.41 115.11 121.02 1xm0 h GLN 30 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1xm0 h GLN 30 Cb 0.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1xm0 h GLN 30 CO 0.44 0.01 0.00 0.27 -1.93 0.00 0.00 178.83 177.62 1xm0 n ASN 31 N -3.10 0.00 0.09 -0.69 6.94 -1.26 -5.01 115.26 112.23 1xm0 n ASN 31 Ca 0.03 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.71 1xm0 n ASN 31 Cb 0.44 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.32 1xm0 n ASN 31 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1xm0 n GLU 32 N 0.00 0.19 -0.16 -3.83 -0.58 -1.26 -2.38 120.64 112.62 1xm0 n GLU 32 Ca 0.00 0.22 0.08 0.00 -0.42 0.00 0.00 57.16 57.05 1xm0 n GLU 32 Cb 0.00 -1.75 0.17 0.00 -0.57 0.00 0.00 31.44 29.28 1xm0 n GLU 32 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1xm0 n TYR 33 N -2.09 0.42 -2.74 -0.32 4.11 -1.24 0.16 117.16 115.45 1xm0 n TYR 33 Ca 0.05 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.90 57.59 1xm0 n TYR 33 Cb 0.36 -0.01 0.04 0.00 -0.00 0.00 0.00 39.34 39.73 1xm0 n TYR 33 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.86 174.19 1xm0 n TRP 34 N 1.00 -3.15 -2.08 -3.48 4.27 -1.00 -4.93 117.44 108.06 1xm0 n TRP 34 Ca 0.14 -1.47 -0.18 0.00 -3.89 0.00 0.00 57.50 52.10 1xm0 n TRP 34 Cb 0.48 1.48 0.04 0.00 -1.36 0.00 0.00 31.31 31.94 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 1xm0 n ASP 35 N 2.14 4.23 0.00 -0.67 5.75 -1.09 -4.79 116.55 122.11 1xm0 n ASP 35 Ca 0.12 -3.55 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 1xm0 n ASP 35 Cb 0.61 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1xm0 n HIS 36 N -0.72 0.00 0.00 2.11 -0.00 -1.26 -5.13 115.22 110.22 1xm0 n HIS 36 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1xm0 n HIS 36 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.92 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1xm0 n LYS 37 N 0.00 0.00 0.00 1.57 3.00 -1.26 -5.19 118.16 116.28 1xm0 n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xm0 n LYS 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xm0 n LYS 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xm0 n GLU 38 N 0.00 0.00 -3.89 1.64 0.00 -1.26 -5.14 120.64 111.99 1xm0 n GLU 38 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 1xm0 n GLU 38 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1xm0 s GLU 39 N -0.12 3.45 0.00 3.44 8.01 -1.26 -4.90 118.70 127.33 1xm0 s GLU 39 Ca 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 54.97 54.37 1xm0 s GLU 39 Cb 0.00 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 1xm0 s GLU 39 CO 0.00 0.45 0.00 0.41 0.01 0.00 0.00 175.26 176.13 1xm0 n GLY 40 N -0.93 0.38 3.32 -1.39 0.00 -1.26 -2.18 105.19 103.13 1xm0 n GLY 40 Ca -0.07 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 1xm0 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 41 N 0.00 2.29 0.13 0.99 2.96 -0.88 0.54 118.68 124.72 1xm0 s LEU 41 Ca 0.00 -0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 53.03 1xm0 s LEU 41 Cb 0.00 -1.03 -0.07 0.00 0.50 0.00 0.00 46.19 45.59 1xm0 s LEU 41 CO 0.00 0.12 0.63 -0.31 -1.32 0.00 0.00 176.35 175.47 1xm0 s TYR 42 N -1.07 3.75 -0.15 5.38 1.51 0.48 0.32 117.35 127.57 1xm0 s TYR 42 Ca 0.09 1.31 -0.03 0.00 -1.01 0.00 0.00 57.07 57.43 1xm0 s TYR 42 Cb -0.10 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 1xm0 s TYR 42 CO 0.04 0.49 -0.06 0.08 -1.11 0.00 0.00 175.55 175.00 1xm0 s VAL 43 N -1.28 3.73 -0.36 0.71 1.01 0.92 -1.52 120.40 123.61 1xm0 s VAL 43 Ca 0.35 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1xm0 s VAL 43 Cb -0.18 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1xm0 s VAL 43 CO 0.20 0.50 0.91 1.51 0.00 0.00 0.00 175.10 178.23 1xm0 s ASP 44 N 0.35 6.67 0.00 3.32 -4.77 -0.78 -1.50 116.67 119.97 1xm0 s ASP 44 Ca -0.06 0.57 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1xm0 s ASP 44 Cb -0.15 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1xm0 s ASP 44 CO 0.04 -0.84 0.00 2.30 0.70 0.00 0.00 175.17 177.37 1xm0 n ILE 45 N 5.94 0.00 -1.68 2.11 -0.00 -1.02 -4.35 119.36 120.35 1xm0 n ILE 45 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 1xm0 n ILE 45 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1xm0 n VAL 46 N -0.02 0.00 0.00 7.28 0.31 -1.25 -3.73 118.33 120.92 1xm0 n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xm0 n VAL 46 Cb 0.00 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1xm0 n VAL 46 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xm0 n SER 47 N 0.00 0.00 -1.64 4.52 7.64 -1.16 -1.73 113.62 121.25 1xm0 n SER 47 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1xm0 n SER 47 Cb 0.63 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.18 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xm0 n GLY 48 N 0.00 2.68 2.67 0.23 0.00 -1.26 -4.80 105.19 104.72 1xm0 n GLY 48 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xm0 s LYS 49 N -2.30 0.13 0.00 1.61 2.20 -0.71 -4.58 119.74 116.10 1xm0 s LYS 49 Ca 0.47 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1xm0 s LYS 49 Cb 0.34 -1.14 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 1xm0 s LYS 49 CO 0.17 -0.46 0.00 -0.35 -0.36 0.00 0.00 175.35 174.35 1xm0 n PRO 50 N 5.25 3.31 0.00 4.03 -0.04 -1.26 -1.87 135.00 144.41 1xm0 n PRO 50 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1xm0 n PRO 50 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1xm0 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xm0 n LEU 51 N 0.00 0.00 -4.08 1.53 7.99 -0.58 -2.74 117.00 119.12 1xm0 n LEU 51 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 1xm0 n LEU 51 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1xm0 n LEU 51 CO 0.00 0.00 -0.39 -0.36 -1.51 0.00 0.00 177.39 175.13 1xm0 s PHE 52 N 0.00 0.68 0.49 -1.77 0.08 -1.04 -4.97 117.98 111.44 1xm0 s PHE 52 Ca 0.00 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.42 1xm0 s PHE 52 Cb 0.00 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1xm0 s PHE 52 CO 0.00 -0.13 0.01 0.99 -0.10 0.00 0.00 175.22 175.99 1xm0 s THR 53 N -2.16 1.18 0.61 0.64 2.01 -1.25 0.18 115.64 116.86 1xm0 s THR 53 Ca -0.04 -2.00 0.30 0.00 0.31 0.00 0.00 61.69 60.27 1xm0 s THR 53 Cb -0.05 -2.26 0.36 0.00 0.01 0.00 0.00 72.50 70.56 1xm0 s THR 53 CO -0.02 0.00 2.02 0.77 -0.69 0.00 0.00 174.62 176.70 1xm0 h SER 54 N 1.43 0.00 0.36 3.53 4.64 1.36 2.17 113.55 127.04 1xm0 h SER 54 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xm0 h SER 54 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1xm0 h SER 54 CO 0.73 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.98 1xm0 n LYS 55 N -3.50 0.07 0.00 4.77 4.01 -1.26 -3.40 118.16 118.85 1xm0 n LYS 55 Ca 0.02 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1xm0 n LYS 55 Cb 0.41 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1xm0 n LYS 55 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1xm0 n ASP 56 N -1.41 0.00 0.00 4.39 9.92 0.73 -4.26 116.55 125.91 1xm0 n ASP 56 Ca 0.04 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1xm0 n ASP 56 Cb 0.13 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.80 0.00 0.00 -1.24 3.00 -1.16 -3.87 118.16 113.09 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 0.00 0.00 -2.83 5.64 -0.00 -1.26 -2.50 117.46 116.51 1xm0 n PHE 58 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 1xm0 n PHE 58 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 1xm0 n PHE 58 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1xm0 n ASP 59 N 0.00 -2.36 -1.19 -2.13 2.03 -1.26 -4.85 116.55 106.79 1xm0 n ASP 59 Ca 0.00 -3.22 0.14 0.00 0.52 0.00 0.00 54.79 52.23 1xm0 n ASP 59 Cb 0.00 1.42 -0.05 0.00 -0.72 0.00 0.00 41.12 41.77 1xm0 n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xm0 n SER 60 N 1.56 -6.37 0.00 1.67 2.88 -1.26 -5.03 113.62 107.07 1xm0 n SER 60 Ca 0.11 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1xm0 n SER 60 Cb 0.62 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.26 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 -3.66 0.00 -3.63 -1.46 10.64 -1.26 -5.06 117.38 112.95 1xm0 n GLN 61 Ca -0.03 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.11 1xm0 n GLN 61 Cb 0.64 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.99 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xm0 n GLY 63 N 0.09 1.49 3.36 0.00 0.00 -1.26 -4.61 105.19 104.26 1xm0 n GLY 63 Ca 0.03 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 2.68 0.13 1.61 0.52 -1.26 -5.11 118.94 117.52 1xm0 s TRP 64 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 56.10 55.24 1xm0 s TRP 64 Cb 0.00 -1.73 -0.07 0.00 -1.15 0.00 0.00 33.47 30.53 1xm0 s TRP 64 CO 0.00 -0.13 1.14 -1.25 0.02 0.00 0.00 176.95 176.73 1xm0 s PRO 65 N -0.04 4.53 0.20 4.98 0.04 -1.26 -4.94 135.00 138.51 1xm0 s PRO 65 Ca -0.05 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1xm0 s PRO 65 Cb -0.14 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1xm0 s PRO 65 CO 0.04 -0.06 0.36 -1.54 0.04 0.00 0.00 177.00 175.84 1xm0 s SER 66 N 0.34 -0.02 -0.06 6.66 1.04 -1.26 -4.81 113.70 115.59 1xm0 s SER 66 Ca 0.53 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1xm0 s SER 66 Cb -0.29 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1xm0 s SER 66 CO 0.33 -0.98 -0.09 0.12 0.98 0.00 0.00 173.24 173.60 1xm0 s PHE 67 N -3.99 1.14 0.00 5.02 2.19 -0.92 -4.65 117.98 116.77 1xm0 s PHE 67 Ca 0.20 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 57.07 1xm0 s PHE 67 Cb 0.02 -0.88 0.00 0.00 -1.31 0.00 0.00 43.02 40.84 1xm0 s PHE 67 CO 0.04 -0.24 0.00 0.25 1.83 0.00 0.00 175.22 177.10 1xm0 n THR 68 N 3.91 0.00 0.00 0.12 -2.24 -1.04 -2.11 114.28 112.92 1xm0 n THR 68 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xm0 n THR 68 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xm0 n LYS 69 N 0.00 0.00 0.00 -0.78 5.02 0.69 -4.40 118.16 118.70 1xm0 n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xm0 n LYS 69 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xm0 n PRO 70 N 0.00 0.00 0.00 1.97 -0.04 -1.26 -2.41 135.00 133.26 1xm0 n PRO 70 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xm0 n PRO 70 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xm0 n PRO 70 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xm0 n ILE 71 N 0.00 0.00 -3.15 0.52 5.41 -1.26 -4.52 119.36 116.36 1xm0 n ILE 71 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 1xm0 n ILE 71 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1xm0 n ILE 71 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xm0 s GLU 72 N 0.00 0.04 0.00 0.38 2.12 -1.26 -4.78 118.70 115.21 1xm0 s GLU 72 Ca 0.00 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1xm0 s GLU 72 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1xm0 s GLU 72 CO 0.00 -0.06 0.00 0.39 -0.54 0.00 0.00 175.26 175.05 1xm0 n GLU 73 N 5.26 0.00 -0.73 4.30 -0.58 -1.26 -5.02 120.64 122.61 1xm0 n GLU 73 Ca 0.01 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.68 1xm0 n GLU 73 Cb 0.57 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.34 1xm0 n GLU 73 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1xm0 n GLU 74 N -0.99 1.46 -3.85 3.49 0.00 -1.26 -4.81 120.64 114.68 1xm0 n GLU 74 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 57.16 56.43 1xm0 n GLU 74 Cb 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 31.44 29.65 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1xm0 s VAL 75 N 0.90 0.03 0.18 3.84 1.01 -1.25 -0.20 120.40 124.90 1xm0 s VAL 75 Ca 0.39 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1xm0 s VAL 75 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.41 1xm0 s VAL 75 CO 0.00 0.08 0.26 -1.61 0.00 0.00 0.00 175.10 173.83 1xm0 s GLU 76 N 0.78 3.27 0.04 2.72 0.41 0.40 -4.87 118.70 121.46 1xm0 s GLU 76 Ca -0.07 -0.73 -0.06 0.00 -0.41 0.00 0.00 54.97 53.69 1xm0 s GLU 76 Cb -0.10 -2.84 -0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1xm0 s GLU 76 CO -0.02 0.48 0.30 -1.21 -0.49 0.00 0.00 175.26 174.33 1xm0 s GLU 77 N -3.40 3.61 0.11 1.61 8.01 -1.25 -1.33 118.70 126.05 1xm0 s GLU 77 Ca 0.33 -0.06 0.06 0.00 0.01 0.00 0.00 54.97 55.32 1xm0 s GLU 77 Cb -0.10 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.66 1xm0 s GLU 77 CO 0.27 0.60 -0.14 0.15 0.01 0.00 0.00 175.26 176.15 1xm0 s LYS 78 N -1.97 0.98 -0.07 1.61 -0.14 0.67 -4.85 119.74 115.97 1xm0 s LYS 78 Ca 0.31 -1.17 -0.16 0.00 -1.36 0.00 0.00 55.97 53.58 1xm0 s LYS 78 Cb -0.13 -0.89 -0.05 0.00 -1.68 0.00 0.00 37.83 35.08 1xm0 s LYS 78 CO 0.18 0.18 0.43 -1.17 -0.76 0.00 0.00 175.35 174.22 1xm0 s LEU 79 N -2.28 4.36 -0.32 3.17 2.96 -1.26 -1.93 118.68 123.37 1xm0 s LEU 79 Ca 0.06 0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 1xm0 s LEU 79 Cb -0.06 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1xm0 s LEU 79 CO 0.03 0.14 0.38 -0.62 -1.32 0.00 0.00 176.35 174.96 1xm0 s ASP 80 N -0.08 6.21 -1.11 3.68 2.15 -1.25 -4.94 116.67 121.32 1xm0 s ASP 80 Ca 0.24 -0.06 -0.23 0.00 0.43 0.00 0.00 52.55 52.93 1xm0 s ASP 80 Cb -0.16 -2.21 -0.12 0.00 -0.30 0.00 0.00 42.92 40.14 1xm0 s ASP 80 CO 0.11 -0.30 1.95 0.41 -0.17 0.00 0.00 175.17 177.16 1xm0 n THR 81 N 5.22 1.67 -2.12 1.71 -1.04 -1.26 -4.63 114.28 113.83 1xm0 n THR 81 Ca -0.09 -1.71 0.00 0.00 -2.04 0.00 0.00 64.05 60.22 1xm0 n THR 81 Cb 0.50 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 1xm0 n THR 81 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xm0 n SER 82 N 14.17 -2.81 -3.29 8.00 2.88 -1.26 -5.03 113.62 126.28 1xm0 n SER 82 Ca 0.45 0.85 -0.15 0.00 -1.33 0.00 0.00 58.87 58.69 1xm0 n SER 82 Cb 0.46 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.56 1xm0 n SER 82 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1xm0 s HIS 83 N 0.00 1.16 0.58 0.66 5.04 -1.26 -5.00 115.29 116.47 1xm0 s HIS 83 Ca 0.00 -1.34 0.37 0.00 -1.54 0.00 0.00 55.06 52.55 1xm0 s HIS 83 Cb 0.00 -0.19 1.41 0.00 0.04 0.00 0.00 32.58 33.84 1xm0 s HIS 83 CO 0.00 -1.08 1.57 0.78 -2.34 0.00 0.00 174.74 173.67 1xm0 h GLY 84 N 2.13 0.00 -5.83 1.59 0.00 -2.02 -3.36 103.07 95.58 1xm0 h GLY 84 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1xm0 h GLY 84 CO 0.39 0.00 -0.52 1.06 0.00 0.00 0.00 176.54 177.46 1xm0 s MET 85 N -4.71 0.18 -0.26 4.80 -1.94 -1.26 -5.13 119.30 110.97 1xm0 s MET 85 Ca -0.04 0.37 -0.14 0.00 -1.71 0.00 0.00 55.69 54.17 1xm0 s MET 85 Cb 0.21 -0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.96 1xm0 s MET 85 CO 0.70 -0.11 0.35 0.42 -0.01 0.00 0.00 175.02 176.37 1xm0 s ILE 86 N 0.75 5.20 0.18 2.53 1.01 -1.26 -4.97 121.20 124.64 1xm0 s ILE 86 Ca -0.05 0.53 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 1xm0 s ILE 86 Cb -0.07 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1xm0 s ILE 86 CO -0.04 0.18 0.40 -0.13 0.00 0.00 0.00 174.94 175.35 1xm0 s ARG 87 N 1.94 1.28 -0.25 2.79 0.52 -1.26 -5.08 118.95 118.89 1xm0 s ARG 87 Ca 0.14 -1.05 -0.23 0.00 -0.52 0.00 0.00 55.73 54.07 1xm0 s ARG 87 Cb -0.16 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.75 1xm0 s ARG 87 CO 0.10 -0.51 0.76 0.99 0.02 0.00 0.00 175.30 176.66 1xm0 s THR 88 N -3.93 4.88 0.18 0.02 2.01 -1.26 -3.86 115.64 113.67 1xm0 s THR 88 Ca 0.14 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 1xm0 s THR 88 Cb 0.01 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 1xm0 s THR 88 CO -0.01 -0.06 0.90 -1.61 -0.69 0.00 0.00 174.62 173.16 1xm0 s GLU 89 N 2.75 4.74 -0.23 4.92 2.02 -0.81 -2.29 118.70 129.79 1xm0 s GLU 89 Ca 0.32 1.38 -0.07 0.00 0.02 0.00 0.00 54.97 56.62 1xm0 s GLU 89 Cb -0.15 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1xm0 s GLU 89 CO 0.08 0.44 0.06 0.08 0.02 0.00 0.00 175.26 175.94 1xm0 s VAL 90 N -0.81 4.28 0.17 2.63 1.01 0.22 -0.24 120.40 127.66 1xm0 s VAL 90 Ca 0.41 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1xm0 s VAL 90 Cb -0.24 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1xm0 s VAL 90 CO 0.30 0.37 -0.14 -0.13 0.00 0.00 0.00 175.10 175.50 1xm0 s ARG 91 N 1.39 1.20 0.39 2.72 0.52 -0.44 0.17 118.95 124.90 1xm0 s ARG 91 Ca 0.05 -1.47 0.08 0.00 -0.52 0.00 0.00 55.73 53.86 1xm0 s ARG 91 Cb -0.15 -0.99 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 1xm0 s ARG 91 CO 0.03 0.17 0.39 -1.54 0.02 0.00 0.00 175.30 174.37 1xm0 s SER 92 N -3.05 5.29 0.00 0.23 1.04 -0.28 0.15 113.70 117.08 1xm0 s SER 92 Ca 0.18 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1xm0 s SER 92 Cb -0.01 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1xm0 s SER 92 CO 0.05 -0.57 0.00 -1.14 0.98 0.00 0.00 173.24 172.56 1xm0 n ARG 93 N -1.56 0.00 0.00 4.02 3.00 0.72 -0.07 116.66 122.78 1xm0 n ARG 93 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1xm0 n ARG 93 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1xm0 n ARG 93 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1xm0 n THR 94 N 0.00 0.00 0.00 5.15 5.66 -1.26 -4.66 114.28 119.17 1xm0 n THR 94 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xm0 n THR 94 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1xm0 n THR 94 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xm0 n ALA 95 N 0.00 0.00 -0.24 1.79 0.00 0.91 -4.87 120.51 118.10 1xm0 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xm0 n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xm0 n ASP 96 N 0.00 0.00 0.00 0.00 8.00 -1.26 -1.12 116.55 122.17 1xm0 n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xm0 n ASP 96 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xm0 n SER 97 N 0.52 0.00 -4.80 -2.24 7.64 -1.26 -4.69 113.62 108.79 1xm0 n SER 97 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1xm0 n SER 97 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xm0 n SER 97 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xm0 s HIS 98 N 0.00 3.05 -0.00 1.43 3.76 -1.25 -4.56 115.29 117.71 1xm0 s HIS 98 Ca 0.00 1.56 0.03 0.00 -0.15 0.00 0.00 55.06 56.50 1xm0 s HIS 98 Cb 0.00 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1xm0 s HIS 98 CO 0.00 -0.78 0.06 1.28 -0.85 0.00 0.00 174.74 174.45 1xm0 n LEU 99 N -1.15 0.00 0.00 0.89 7.99 0.45 -2.30 117.00 122.88 1xm0 n LEU 99 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1xm0 n LEU 99 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1xm0 n LEU 99 CO 0.41 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.90 1xm0 n GLY 100 N 2.35 0.00 2.94 -0.72 0.00 0.37 -0.61 105.19 109.52 1xm0 n GLY 100 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1xm0 n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xm0 s HIS 101 N 0.00 -0.24 -0.14 1.61 3.76 -0.84 -1.29 115.29 118.15 1xm0 s HIS 101 Ca 0.00 0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 55.52 1xm0 s HIS 101 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.57 1xm0 s HIS 101 CO 0.00 -0.23 -0.03 0.54 -0.85 0.00 0.00 174.74 174.17 1xm0 s VAL 102 N 1.60 3.94 0.23 -0.90 0.11 -0.97 0.12 120.40 124.53 1xm0 s VAL 102 Ca -0.05 -0.35 0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1xm0 s VAL 102 Cb -0.11 -2.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.98 1xm0 s VAL 102 CO -0.07 0.51 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.65 1xm0 s PHE 103 N 0.17 2.34 -0.33 1.54 0.08 0.39 -4.74 117.98 117.43 1xm0 s PHE 103 Ca -0.01 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 1xm0 s PHE 103 Cb -0.14 -1.09 -0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1xm0 s PHE 103 CO 0.03 0.60 0.61 -0.80 -0.10 0.00 0.00 175.22 175.56 1xm0 s ASN 104 N -3.10 6.44 -1.30 1.36 -0.87 -1.26 -1.51 114.94 114.70 1xm0 s ASN 104 Ca 0.26 0.24 -0.07 0.00 -1.57 0.00 0.00 52.86 51.72 1xm0 s ASN 104 Cb -0.07 -2.32 0.02 0.00 -0.02 0.00 0.00 41.25 38.87 1xm0 s ASN 104 CO 0.13 -0.52 2.69 -0.67 -2.57 0.00 0.00 177.10 176.16 1xm0 n ASP 105 N 5.91 8.05 -0.27 -1.22 -0.08 -1.09 -4.77 116.55 123.08 1xm0 n ASP 105 Ca -0.02 -2.90 -0.05 0.00 -1.51 0.00 0.00 54.79 50.31 1xm0 n ASP 105 Cb 0.49 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1xm0 n ASP 105 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1xm0 h GLY 106 N 5.93 -0.18 0.15 0.27 0.00 -1.93 0.54 103.07 107.86 1xm0 h GLY 106 Ca 0.72 0.52 0.00 0.00 0.00 0.00 0.00 47.33 48.56 1xm0 h GLY 106 CO 1.48 -0.18 0.00 -1.55 0.00 0.00 0.00 176.54 176.29 1xm0 n PRO 107 N -5.43 1.22 -1.19 4.80 -0.04 -1.26 -4.88 135.00 128.21 1xm0 n PRO 107 Ca 0.05 -0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 1xm0 n PRO 107 Cb 0.36 -1.32 0.12 0.00 -0.04 0.00 0.00 33.50 32.63 1xm0 n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm0 n GLY 108 N 0.89 -1.23 0.12 0.55 0.00 0.19 -5.01 105.19 100.69 1xm0 n GLY 108 Ca 0.14 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.18 0.00 1.61 0.13 -1.82 -3.40 132.00 128.34 1xm0 h PRO 109 Ca -0.26 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 1xm0 h PRO 109 Cb 0.72 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 1xm0 h PRO 109 CO 0.19 0.14 -1.68 -1.71 -0.23 0.00 0.00 178.00 174.70 1xm0 n ASN 110 N -5.03 1.81 0.00 1.44 5.15 -1.19 -5.06 115.26 112.38 1xm0 n ASN 110 Ca -0.09 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1xm0 n ASN 110 Cb 0.21 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 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 2.52 1.96 3.26 8.20 0.00 -1.08 -4.95 105.19 115.10 1xm0 n GLY 111 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 2.67 -0.23 0.99 0.20 -1.01 -2.67 118.68 118.63 1xm0 s LEU 112 Ca 0.00 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.36 1xm0 s LEU 112 Cb 0.00 -1.66 0.06 0.00 -0.43 0.00 0.00 46.19 44.16 1xm0 s LEU 112 CO 0.00 -0.00 -0.01 -0.13 -0.29 0.00 0.00 176.35 175.92 1xm0 s ARG 113 N 1.37 1.22 -0.21 1.98 0.52 -0.57 -0.22 118.95 123.04 1xm0 s ARG 113 Ca 0.05 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1xm0 s ARG 113 Cb -0.14 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 32.94 1xm0 s ARG 113 CO -0.05 -0.66 -0.11 0.71 0.02 0.00 0.00 175.30 175.21 1xm0 s TYR 114 N 1.55 2.90 -0.38 -0.53 2.02 -0.90 0.15 117.35 122.17 1xm0 s TYR 114 Ca -0.02 -1.34 -0.15 0.00 -0.37 0.00 0.00 57.07 55.19 1xm0 s TYR 114 Cb -0.18 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1xm0 s TYR 114 CO -0.08 -0.69 0.31 0.00 -1.57 0.00 0.00 175.55 173.52 1xm0 s ILE 116 N 1.83 2.77 -0.02 0.00 1.09 -1.26 -1.99 121.20 123.62 1xm0 s ILE 116 Ca 0.08 -1.84 -0.03 0.00 -1.10 0.00 0.00 60.65 57.75 1xm0 s ILE 116 Cb -0.18 -2.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.83 1xm0 s ILE 116 CO 0.11 -0.11 0.17 0.54 -0.10 0.00 0.00 174.94 175.55 1xm0 s ASN 117 N -2.75 6.31 0.37 3.58 4.22 -1.26 -3.71 114.94 121.70 1xm0 s ASN 117 Ca 0.23 0.34 0.07 0.00 -2.14 0.00 0.00 52.86 51.36 1xm0 s ASN 117 Cb -0.08 -1.98 0.71 0.00 1.28 0.00 0.00 41.25 41.18 1xm0 s ASN 117 CO 0.12 0.28 1.91 0.77 -2.04 0.00 0.00 177.10 178.14 1xm0 h SER 118 N 3.95 0.38 0.46 3.54 4.64 0.14 0.24 113.55 126.89 1xm0 h SER 118 Ca -0.49 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1xm0 h SER 118 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1xm0 h SER 118 CO 0.67 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 177.10 1xm0 n ALA 119 N -2.48 1.75 -0.23 5.18 0.00 -1.26 -1.87 120.51 121.59 1xm0 n ALA 119 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xm0 n ALA 119 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.44 1.83 -3.43 0.00 0.00 -0.31 -4.84 120.51 112.33 1xm0 n ALA 120 Ca 0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.68 1xm0 n ALA 120 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 1xm0 n ALA 120 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xm0 s LEU 121 N -0.44 -0.04 -0.12 0.00 0.20 0.69 -2.43 118.68 116.54 1xm0 s LEU 121 Ca 0.00 0.90 0.01 0.00 0.69 0.00 0.00 54.13 55.73 1xm0 s LEU 121 Cb 0.00 1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 47.63 1xm0 s LEU 121 CO 0.00 -0.29 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.02 1xm0 s ARG 122 N -0.16 3.25 0.01 1.98 3.52 -0.56 -4.26 118.95 122.73 1xm0 s ARG 122 Ca -0.04 -0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 54.71 1xm0 s ARG 122 Cb -0.03 -2.56 -0.06 0.00 -1.56 0.00 0.00 34.95 30.74 1xm0 s ARG 122 CO 0.03 0.25 0.40 -0.59 -0.81 0.00 0.00 175.30 174.58 1xm0 s PHE 123 N 0.24 3.71 -0.03 5.12 -0.12 -1.26 0.31 117.98 125.94 1xm0 s PHE 123 Ca -0.10 0.95 0.03 0.00 -0.05 0.00 0.00 56.93 57.76 1xm0 s PHE 123 Cb -0.16 -2.26 0.00 0.00 -0.63 0.00 0.00 43.02 39.98 1xm0 s PHE 123 CO 0.06 0.63 -0.10 0.08 -0.05 0.00 0.00 175.22 175.84 1xm0 s VAL 124 N -1.12 0.90 0.32 -2.49 1.01 0.15 -4.94 120.40 114.23 1xm0 s VAL 124 Ca 0.25 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1xm0 s VAL 124 Cb -0.16 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.29 1xm0 s VAL 124 CO 0.14 0.28 1.09 -0.81 0.00 0.00 0.00 175.10 175.80 1xm0 n PRO 125 N 3.33 1.59 0.25 2.72 -0.04 -1.26 -2.06 135.00 139.52 1xm0 n PRO 125 Ca -0.19 0.56 0.15 0.00 -0.04 0.00 0.00 63.50 63.98 1xm0 n PRO 125 Cb 0.54 -2.01 0.81 0.00 -0.04 0.00 0.00 33.50 32.80 1xm0 n PRO 125 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1xm0 h LYS 126 N 2.10 0.00 0.08 0.54 5.09 -1.79 1.67 116.57 124.26 1xm0 h LYS 126 Ca -0.42 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 59.97 1xm0 h LYS 126 Cb 1.32 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.62 1xm0 h LYS 126 CO 0.61 0.00 -1.96 1.58 -2.09 0.00 0.00 179.45 177.59 1xm0 n HIS 127 N -2.61 1.08 1.07 0.07 -0.00 -1.26 -4.16 115.22 109.41 1xm0 n HIS 127 Ca -0.02 0.27 0.12 0.00 0.46 0.00 0.00 57.72 58.55 1xm0 n HIS 127 Cb 0.14 -1.16 0.17 0.00 -0.12 0.00 0.00 29.99 29.02 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xm0 n LYS 128 N -3.32 0.45 -0.05 1.57 3.00 -0.48 -4.05 118.16 115.28 1xm0 n LYS 128 Ca -0.28 -0.31 0.17 0.00 -0.00 0.00 0.00 58.31 57.89 1xm0 n LYS 128 Cb 1.05 -1.49 0.61 0.00 0.00 0.00 0.00 35.03 35.20 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1xm0 h LEU 129 N 0.76 0.15 -0.79 3.14 8.10 0.23 1.41 115.31 128.31 1xm0 h LEU 129 Ca 0.00 0.01 0.06 0.00 0.11 0.00 0.00 57.88 58.06 1xm0 h LEU 129 Cb 0.54 -0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 40.68 1xm0 h LEU 129 CO 0.00 0.08 0.47 0.50 -4.11 0.00 0.00 178.44 175.39 1xm0 h LYS 130 N 0.17 0.84 0.00 0.17 3.64 -1.78 0.45 116.57 120.05 1xm0 h LYS 130 Ca 0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1xm0 h LYS 130 Cb 0.87 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1xm0 h LYS 130 CO -0.04 0.55 0.00 0.39 -2.27 0.00 0.00 179.45 178.08 1xm0 n GLU 131 N -4.68 0.05 -0.00 1.90 4.71 0.48 -1.69 120.64 121.40 1xm0 n GLU 131 Ca 0.11 0.27 0.06 0.00 -0.01 0.00 0.00 57.16 57.60 1xm0 n GLU 131 Cb 0.18 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.03 1xm0 n GLU 131 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xm0 n GLU 132 N -1.44 2.41 0.00 3.49 -0.58 0.08 -4.98 120.64 119.62 1xm0 n GLU 132 Ca 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xm0 n GLU 132 Cb 0.12 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm0 n GLY 133 N 1.34 0.71 1.07 0.62 0.00 -0.68 -4.21 105.19 104.05 1xm0 n GLY 133 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1xm0 n GLY 133 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xm0 n TYR 134 N 0.00 0.00 -0.10 1.61 9.36 -0.79 -4.58 117.16 122.66 1xm0 n TYR 134 Ca 0.00 -0.29 -0.09 0.00 3.32 0.00 0.00 57.90 60.84 1xm0 n TYR 134 Cb 0.00 -0.09 0.05 0.00 -0.63 0.00 0.00 39.34 38.67 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1xm0 h GLU 135 N 0.56 0.84 0.00 2.98 4.22 -1.76 -2.92 114.58 118.50 1xm0 h GLU 135 Ca -0.14 -0.36 -0.13 0.00 0.08 0.00 0.00 59.36 58.80 1xm0 h GLU 135 Cb 1.68 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1xm0 h GLU 135 CO 0.05 1.00 -0.64 1.03 -2.18 0.00 0.00 179.01 178.27 1xm0 h SER 136 N 0.72 0.00 0.09 1.04 0.87 -1.95 -3.13 113.55 111.19 1xm0 h SER 136 Ca 0.09 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1xm0 h SER 136 Cb 0.80 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1xm0 h SER 136 CO 0.07 0.64 -0.08 1.88 -0.53 0.00 0.00 176.83 178.80 1xm0 h TYR 137 N 0.00 0.00 -0.23 2.24 -1.99 -1.87 -2.33 116.97 112.79 1xm0 h TYR 137 Ca -0.01 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.79 1xm0 h TYR 137 Cb 1.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.15 1xm0 h TYR 137 CO 0.00 0.08 0.38 -0.07 -0.00 0.00 0.00 178.16 178.56 1xm0 h LEU 138 N 0.00 0.00 -1.61 3.88 -0.00 -1.47 0.86 115.31 116.97 1xm0 h LEU 138 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1xm0 h LEU 138 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1xm0 h LEU 138 CO 0.01 0.00 -0.21 -0.74 -0.00 0.00 0.00 178.44 177.50 1xm0 h HIS 139 N 0.00 0.00 -0.34 1.13 2.76 -1.64 0.86 115.15 117.92 1xm0 h HIS 139 Ca 0.11 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.38 1xm0 h HIS 139 Cb 0.87 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 1xm0 h HIS 139 CO 0.00 0.21 0.41 1.25 -1.30 0.00 0.00 177.93 178.50 1xm0 h LEU 140 N 0.00 0.00 0.00 0.26 5.85 0.55 -3.17 115.31 118.80 1xm0 h LEU 140 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xm0 h LEU 140 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xm0 h LEU 140 CO 0.03 0.00 -0.71 0.33 -0.34 0.00 0.00 178.44 177.74 1xm0 n PHE 141 N -3.61 0.00 -0.55 1.25 7.35 -0.85 -4.76 117.46 116.30 1xm0 n PHE 141 Ca 0.06 0.00 0.45 0.00 -0.76 0.00 0.00 57.45 57.20 1xm0 n PHE 141 Cb 0.57 0.00 0.78 0.00 0.35 0.00 0.00 39.48 41.17 1xm0 n PHE 141 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1xm0 h ASN 142 N 0.00 0.03 -1.61 -2.13 -0.26 0.75 -3.46 115.58 108.90 1xm0 h ASN 142 Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1xm0 h ASN 142 Cb 0.71 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1xm0 h ASN 142 CO 0.00 -0.02 0.00 1.17 -1.06 0.00 0.00 177.43 177.52 1xm0 n LYS 143 N -4.11 0.00 0.00 0.81 3.00 -1.20 -5.04 118.16 111.63 1xm0 n LYS 143 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1xm0 n LYS 143 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.71 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1xm0 n LEU 144 N 0.00 0.00 0.00 3.14 -0.00 -1.26 -4.97 117.00 113.91 1xm0 n LEU 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xm0 n LEU 144 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xm0 n LEU 144 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.55 1xm0 n GLU 145 N -0.09 0.00 0.00 1.96 -0.00 -1.26 -5.05 120.64 116.20 1xm0 n GLU 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1xm0 n GLU 145 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1xm0 n GLU 145 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1xm0 n HIS 146 N 0.00 0.00 -0.50 -1.84 -0.00 -1.26 -5.40 115.22 106.22 1xm0 n HIS 146 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xm0 n HIS 146 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92