#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 -2.87 3.04 0.00 -1.26 -5.04 120.51 114.38 1xm0 n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1xm0 n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1xm0 n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xm0 s TYR 3 N 1.22 3.09 -0.44 0.00 2.02 -1.26 -4.61 117.35 117.38 1xm0 s TYR 3 Ca 0.00 -1.46 -0.18 0.00 -0.37 0.00 0.00 57.07 55.06 1xm0 s TYR 3 Cb 0.00 -4.36 0.03 0.00 -0.40 0.00 0.00 41.96 37.23 1xm0 s TYR 3 CO 0.00 -1.55 0.49 -0.80 -1.57 0.00 0.00 175.55 172.12 1xm0 s ASN 4 N 3.70 6.21 0.57 2.29 0.01 -1.26 -4.94 114.94 121.52 1xm0 s ASN 4 Ca 0.37 -0.73 0.37 0.00 -0.71 0.00 0.00 52.86 52.17 1xm0 s ASN 4 Cb -0.03 -2.24 1.44 0.00 0.41 0.00 0.00 41.25 40.83 1xm0 s ASN 4 CO -0.07 -0.66 1.62 0.11 -1.51 0.00 0.00 177.10 176.59 1xm0 h LYS 5 N 8.79 0.00 -0.23 -0.60 1.57 -1.94 2.93 116.57 127.10 1xm0 h LYS 5 Ca -0.27 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.33 1xm0 h LYS 5 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1xm0 h LYS 5 CO 0.84 0.00 -0.59 1.49 -0.57 0.00 0.00 179.45 180.62 1xm0 h GLU 6 N 0.00 0.81 -0.05 3.15 4.22 -1.92 -2.07 114.58 118.72 1xm0 h GLU 6 Ca 0.61 -0.56 0.01 0.00 0.08 0.00 0.00 59.36 59.51 1xm0 h GLU 6 Cb 2.76 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 32.09 1xm0 h GLU 6 CO -0.01 1.18 0.04 1.05 -2.18 0.00 0.00 179.01 179.09 1xm0 h GLU 7 N 0.56 0.00 -0.14 1.92 4.11 0.49 0.13 114.58 121.65 1xm0 h GLU 7 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1xm0 h GLU 7 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1xm0 h GLU 7 CO 0.13 0.00 -0.50 -0.22 0.07 0.00 0.00 179.01 178.49 1xm0 h LYS 8 N 0.00 0.39 0.00 1.06 3.64 0.88 0.31 116.57 122.85 1xm0 h LYS 8 Ca 0.02 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1xm0 h LYS 8 Cb 0.09 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1xm0 h LYS 8 CO -0.00 0.80 0.00 0.82 -2.27 0.00 0.00 179.45 178.80 1xm0 h ILE 9 N 0.31 0.00 -0.36 2.00 1.08 -0.12 -1.25 117.51 119.17 1xm0 h ILE 9 Ca 0.01 -0.32 -0.27 0.00 -0.39 0.00 0.00 64.86 63.89 1xm0 h ILE 9 Cb 0.99 1.14 -0.27 0.00 -3.07 0.00 0.00 36.82 35.61 1xm0 h ILE 9 CO 0.09 0.00 -0.77 0.29 -0.69 0.00 0.00 178.15 177.07 1xm0 n LYS 10 N -2.34 2.26 0.00 2.37 4.01 -0.70 -4.81 118.16 118.95 1xm0 n LYS 10 Ca 0.03 -3.54 0.00 0.00 -0.51 0.00 0.00 58.31 54.29 1xm0 n LYS 10 Cb 0.28 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1xm0 n SER 11 N -0.71 0.00 0.00 4.39 7.64 0.10 -4.94 113.62 120.10 1xm0 n SER 11 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1xm0 n SER 11 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 -3.91 -3.43 -0.00 -0.92 -4.77 117.00 103.97 1xm0 n LEU 12 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1xm0 n LEU 12 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1xm0 n LEU 12 CO 0.00 0.00 -0.39 0.54 -0.00 0.00 0.00 177.39 177.54 1xm0 s ASN 13 N -4.00 0.57 0.62 1.45 4.22 -1.26 -0.70 114.94 115.85 1xm0 s ASN 13 Ca 0.00 -0.08 0.31 0.00 -2.14 0.00 0.00 52.86 50.95 1xm0 s ASN 13 Cb 0.00 -0.16 1.68 0.00 1.28 0.00 0.00 41.25 44.05 1xm0 s ASN 13 CO 0.00 0.00 2.01 -0.09 -2.04 0.00 0.00 177.10 176.99 1xm0 h ARG 14 N 6.51 0.00 -0.05 3.55 2.43 -1.97 0.44 114.38 125.30 1xm0 h ARG 14 Ca -0.33 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1xm0 h ARG 14 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1xm0 h ARG 14 CO 0.49 0.00 -0.13 1.98 -1.51 0.00 0.00 179.97 180.80 1xm0 h MET 15 N 0.00 0.18 -0.85 0.20 4.05 -1.95 -3.24 114.93 113.32 1xm0 h MET 15 Ca 0.08 -0.12 0.09 0.00 -0.28 0.00 0.00 59.70 59.46 1xm0 h MET 15 Cb 0.67 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.42 1xm0 h MET 15 CO -0.00 0.73 0.50 0.37 0.23 0.00 0.00 176.91 178.74 1xm0 h GLN 16 N -0.34 0.82 -0.90 0.39 4.15 -0.55 -0.81 115.11 117.87 1xm0 h GLN 16 Ca -0.00 -0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.61 1xm0 h GLN 16 Cb 0.74 -0.19 -0.14 0.00 0.21 0.00 0.00 27.48 28.10 1xm0 h GLN 16 CO 0.03 0.54 0.30 1.88 -1.93 0.00 0.00 178.83 179.65 1xm0 h TYR 17 N 0.85 0.46 -0.09 3.99 0.05 -1.28 0.99 116.97 121.94 1xm0 h TYR 17 Ca 0.40 0.05 -0.12 0.00 0.05 0.00 0.00 58.73 59.11 1xm0 h TYR 17 Cb 0.34 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1xm0 h TYR 17 CO -0.05 -0.19 -0.48 0.93 -1.05 0.00 0.00 178.16 177.32 1xm0 h GLU 18 N 0.24 0.22 -0.45 4.88 5.08 -1.26 -2.85 114.58 120.45 1xm0 h GLU 18 Ca 0.58 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1xm0 h GLU 18 Cb 1.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1xm0 h GLU 18 CO -0.64 0.66 0.23 -0.39 -1.00 0.00 0.00 179.01 177.88 1xm0 h VAL 19 N 0.18 1.15 -0.30 3.13 -1.51 0.15 1.01 116.25 120.07 1xm0 h VAL 19 Ca 0.01 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1xm0 h VAL 19 Cb 0.92 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1xm0 h VAL 19 CO 0.07 0.17 0.19 0.74 -1.23 0.00 0.00 177.57 177.51 1xm0 h THR 20 N 0.62 1.09 -0.01 7.19 2.02 -1.07 1.46 112.91 124.20 1xm0 h THR 20 Ca 0.16 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xm0 h THR 20 Cb 0.04 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xm0 h THR 20 CO -0.02 0.08 -0.04 0.00 0.37 0.00 0.00 175.52 175.91 1xm0 n GLN 21 N -4.87 1.38 0.08 6.66 3.00 -0.28 -4.55 117.38 118.80 1xm0 n GLN 21 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 1xm0 n GLN 21 Cb 0.03 -1.49 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 0.09 0.00 0.00 0.00 177.06 177.15 1xm0 n ASN 22 N -0.20 0.41 0.00 1.08 4.13 0.33 -5.07 115.26 115.95 1xm0 n ASN 22 Ca 0.18 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.71 1xm0 n ASN 22 Cb 0.31 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1xm0 n ASN 22 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1xm0 n ASN 23 N -3.38 0.00 -4.10 6.41 2.85 0.49 -5.00 115.26 112.54 1xm0 n ASN 23 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1xm0 n ASN 23 Cb 0.04 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.07 1xm0 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xm0 n GLY 24 N 0.00 4.74 2.95 8.20 0.00 -1.25 -4.93 105.19 114.91 1xm0 n GLY 24 Ca 0.00 -2.50 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 1xm0 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm0 s THR 25 N -1.58 1.74 -0.04 2.61 -4.23 -1.26 -4.82 115.64 108.06 1xm0 s THR 25 Ca 0.33 -1.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 1xm0 s THR 25 Cb 0.02 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1xm0 s THR 25 CO 0.04 -0.29 0.59 -1.83 -0.54 0.00 0.00 174.62 172.58 1xm0 s GLU 26 N 1.25 4.33 0.18 3.99 1.03 -1.26 -4.99 118.70 123.23 1xm0 s GLU 26 Ca -0.00 0.70 -0.21 0.00 0.03 0.00 0.00 54.97 55.49 1xm0 s GLU 26 Cb -0.19 -3.38 0.12 0.00 -0.80 0.00 0.00 34.13 29.88 1xm0 s GLU 26 CO -0.09 0.28 1.59 -1.00 -1.33 0.00 0.00 175.26 174.71 1xm0 h PRO 27 N 6.01 -0.16 -6.37 -4.83 0.13 -2.03 -3.42 132.00 121.33 1xm0 h PRO 27 Ca -0.44 0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 1xm0 h PRO 27 Cb 1.20 0.04 0.08 0.00 0.13 0.00 0.00 31.00 32.45 1xm0 h PRO 27 CO 0.72 -0.11 0.30 -0.35 -0.23 0.00 0.00 178.00 178.33 1xm0 n PRO 28 N -5.43 1.29 0.00 1.56 -0.04 -1.26 -4.90 135.00 126.22 1xm0 n PRO 28 Ca 0.04 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1xm0 n PRO 28 Cb 0.35 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.47 0.00 -3.49 0.54 1.16 -1.26 -5.04 117.46 110.84 1xm0 n PHE 29 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.52 1xm0 n PHE 29 Cb 0.26 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.21 1xm0 n PHE 29 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1xm0 n GLN 30 N -1.55 -7.17 0.00 3.97 1.13 -1.26 -4.69 117.38 107.82 1xm0 n GLN 30 Ca 0.00 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 55.89 1xm0 n GLN 30 Cb 0.10 -5.82 0.00 0.00 0.11 0.00 0.00 30.24 24.62 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xm0 n ASN 31 N -3.02 0.00 0.01 1.08 4.13 -1.26 -4.95 115.26 111.24 1xm0 n ASN 31 Ca -0.14 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.04 1xm0 n ASN 31 Cb 0.62 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.95 1xm0 n ASN 31 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1xm0 h GLU 32 N 0.00 0.53 -0.23 3.52 9.09 -1.95 -2.64 114.58 122.90 1xm0 h GLU 32 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 59.36 59.12 1xm0 h GLU 32 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1xm0 h GLU 32 CO 0.00 0.88 0.00 0.66 0.05 0.00 0.00 179.01 180.60 1xm0 n TYR 33 N -4.00 0.29 0.00 2.06 4.02 -1.26 -0.11 117.16 118.15 1xm0 n TYR 33 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1xm0 n TYR 33 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1xm0 n TRP 34 N 1.04 0.00 -2.57 -0.72 -0.00 -0.99 -3.43 117.44 110.77 1xm0 n TRP 34 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.66 1xm0 n TRP 34 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.82 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 3.52 -0.51 -1.81 5.87 2.03 -1.26 -4.84 116.55 119.55 1xm0 n ASP 35 Ca 0.00 -1.31 0.00 0.00 0.52 0.00 0.00 54.79 54.00 1xm0 n ASP 35 Cb 0.00 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xm0 n HIS 36 N -0.29 -4.32 -1.41 -0.67 8.25 -1.22 -5.09 115.22 110.46 1xm0 n HIS 36 Ca -0.12 2.52 0.00 0.00 -0.26 0.00 0.00 57.72 59.86 1xm0 n HIS 36 Cb 0.58 -3.47 0.00 0.00 1.12 0.00 0.00 29.99 28.22 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xm0 n LYS 37 N 1.34 3.15 0.00 -0.41 4.76 -1.26 -5.18 118.16 120.56 1xm0 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xm0 n LYS 37 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1xm0 n LYS 37 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xm0 n GLU 38 N 0.00 1.51 -4.10 1.97 2.13 -1.26 -5.09 120.64 115.80 1xm0 n GLU 38 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1xm0 n GLU 38 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1xm0 s GLU 39 N 2.09 2.85 0.00 5.31 1.03 -1.26 -3.25 118.70 125.47 1xm0 s GLU 39 Ca 0.00 -0.92 0.00 0.00 0.03 0.00 0.00 54.97 54.08 1xm0 s GLU 39 Cb 0.00 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.73 1xm0 s GLU 39 CO 0.00 0.47 0.00 0.41 -1.33 0.00 0.00 175.26 174.81 1xm0 n GLY 40 N -0.43 0.34 3.34 -3.83 0.00 -1.26 -2.63 105.19 100.72 1xm0 n GLY 40 Ca -0.08 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 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 2.30 -0.03 0.99 2.96 -0.94 -0.78 118.68 123.19 1xm0 s LEU 41 Ca 0.00 -0.71 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1xm0 s LEU 41 Cb 0.00 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 1xm0 s LEU 41 CO 0.00 0.13 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.75 1xm0 s TYR 42 N -1.09 2.81 -0.01 5.38 2.02 0.73 -0.92 117.35 126.27 1xm0 s TYR 42 Ca 0.11 -0.08 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 1xm0 s TYR 42 Cb -0.10 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1xm0 s TYR 42 CO 0.05 0.30 -0.18 0.14 -1.57 0.00 0.00 175.55 174.29 1xm0 s VAL 43 N -0.87 2.77 -0.37 0.71 -7.23 1.08 -0.46 120.40 116.02 1xm0 s VAL 43 Ca 0.14 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 1xm0 s VAL 43 Cb -0.11 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1xm0 s VAL 43 CO 0.04 0.50 1.11 -0.62 -0.31 0.00 0.00 175.10 175.82 1xm0 s ASP 44 N -0.95 6.81 0.00 4.85 2.15 0.81 -1.37 116.67 128.97 1xm0 s ASP 44 Ca 0.12 0.85 0.00 0.00 0.43 0.00 0.00 52.55 53.96 1xm0 s ASP 44 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xm0 s ASP 44 CO 0.02 -1.02 0.00 -0.38 -0.17 0.00 0.00 175.17 173.62 1xm0 n ILE 45 N 6.23 0.00 -1.64 4.11 5.41 -0.92 -4.31 119.36 128.24 1xm0 n ILE 45 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1xm0 n ILE 45 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 -0.19 0.00 0.00 1.39 0.31 -1.26 -4.75 118.33 113.83 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 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.01 4.52 7.64 -1.26 -2.79 113.62 121.71 1xm0 n SER 47 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1xm0 n SER 47 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.77 3.59 0.23 0.00 -1.26 -4.82 105.19 102.16 1xm0 n GLY 48 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.58 3.20 0.00 1.61 2.20 -1.12 -4.91 119.74 118.15 1xm0 s LYS 49 Ca -0.14 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1xm0 s LYS 49 Cb 0.07 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1xm0 s LYS 49 CO 0.79 -2.01 0.00 -0.35 -0.36 0.00 0.00 175.35 173.42 1xm0 n PRO 50 N 8.55 -0.63 0.00 4.03 -0.04 -1.26 0.28 135.00 145.93 1xm0 n PRO 50 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1xm0 n PRO 50 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1xm0 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xm0 n LEU 51 N 0.00 0.00 -3.67 1.53 7.94 0.39 -2.64 117.00 120.56 1xm0 n LEU 51 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1xm0 n LEU 51 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1xm0 n LEU 51 CO 0.00 0.00 0.13 -0.36 -1.11 0.00 0.00 177.39 176.05 1xm0 s PHE 52 N 0.00 -0.19 -0.14 1.96 0.08 -1.07 -4.62 117.98 113.99 1xm0 s PHE 52 Ca 0.00 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 1xm0 s PHE 52 Cb 0.00 0.21 -0.05 0.00 -0.57 0.00 0.00 43.02 42.62 1xm0 s PHE 52 CO 0.00 -0.63 0.35 -0.08 -0.10 0.00 0.00 175.22 174.76 1xm0 s THR 53 N -3.27 5.27 0.64 0.64 -1.32 -1.26 0.26 115.64 116.60 1xm0 s THR 53 Ca -0.00 0.67 0.33 0.00 -1.21 0.00 0.00 61.69 61.48 1xm0 s THR 53 Cb 0.01 -3.69 0.36 0.00 -1.51 0.00 0.00 72.50 67.67 1xm0 s THR 53 CO -0.08 0.38 2.07 0.28 -2.21 0.00 0.00 174.62 175.05 1xm0 h SER 54 N 6.64 0.00 -0.75 8.08 0.02 -1.16 0.29 113.55 126.67 1xm0 h SER 54 Ca -0.41 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.70 1xm0 h SER 54 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 1xm0 h SER 54 CO 0.75 0.00 0.51 0.11 -1.14 0.00 0.00 176.83 177.06 1xm0 h LYS 55 N 0.00 0.29 0.00 3.45 1.57 -1.76 -3.37 116.57 116.76 1xm0 h LYS 55 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xm0 h LYS 55 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xm0 h LYS 55 CO -0.00 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 178.82 1xm0 n ASP 56 N -4.45 0.00 -0.26 0.86 9.92 -0.22 -4.89 116.55 117.51 1xm0 n ASP 56 Ca 0.15 0.00 0.22 0.00 -0.53 0.00 0.00 54.79 54.63 1xm0 n ASP 56 Cb 0.61 0.00 0.36 0.00 -0.64 0.00 0.00 41.12 41.45 1xm0 n ASP 56 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1xm0 n LYS 57 N 0.00 -0.02 -0.13 -1.24 0.00 0.85 0.81 118.16 118.43 1xm0 n LYS 57 Ca 0.00 0.63 -0.21 0.00 -0.00 0.00 0.00 58.31 58.74 1xm0 n LYS 57 Cb 0.00 -1.28 -0.11 0.00 -0.00 0.00 0.00 35.03 33.64 1xm0 n LYS 57 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1xm0 n PHE 58 N -3.58 0.00 0.00 5.58 -1.74 -1.26 -2.28 117.46 114.18 1xm0 n PHE 58 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 1xm0 n PHE 58 Cb 0.85 -0.99 0.00 0.00 1.52 0.00 0.00 39.48 40.86 1xm0 n PHE 58 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1xm0 n ASP 59 N -3.49 0.00 -4.72 5.98 -0.08 0.24 -4.69 116.55 109.79 1xm0 n ASP 59 Ca -0.47 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.45 1xm0 n ASP 59 Cb 0.96 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.51 1xm0 n ASP 59 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1xm0 s SER 60 N -4.00 4.26 0.24 1.67 0.01 -1.26 -5.03 113.70 109.59 1xm0 s SER 60 Ca 0.00 2.45 0.06 0.00 1.31 0.00 0.00 55.95 59.78 1xm0 s SER 60 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1xm0 s SER 60 CO 0.00 -2.23 0.23 -1.10 0.41 0.00 0.00 173.24 170.56 1xm0 s GLN 61 N -3.75 3.06 0.18 12.44 -0.21 -1.26 -5.02 119.66 125.10 1xm0 s GLN 61 Ca 0.77 -0.96 -0.05 0.00 0.02 0.00 0.00 55.36 55.14 1xm0 s GLN 61 Cb -0.32 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1xm0 s GLN 61 CO 0.44 0.42 0.32 0.00 -2.12 0.00 0.00 175.29 174.35 1xm0 h GLY 63 N 0.92 0.82 -4.80 0.00 0.00 -2.03 -3.44 103.07 94.54 1xm0 h GLY 63 Ca -0.15 -1.05 -0.67 0.00 0.00 0.00 0.00 47.33 45.47 1xm0 h GLY 63 CO 0.19 0.94 -0.67 -0.98 0.00 0.00 0.00 176.54 176.01 1xm0 s TRP 64 N -3.92 2.98 -0.04 5.60 0.51 -1.26 -5.08 118.94 117.73 1xm0 s TRP 64 Ca -0.09 0.02 -0.30 0.00 -2.12 0.00 0.00 56.10 53.60 1xm0 s TRP 64 Cb 0.10 -1.63 -0.06 0.00 -0.81 0.00 0.00 33.47 31.07 1xm0 s TRP 64 CO 0.88 0.42 1.70 -1.25 -0.51 0.00 0.00 176.95 178.20 1xm0 s PRO 65 N -1.56 4.17 -0.16 4.98 0.04 -1.26 -4.98 135.00 136.22 1xm0 s PRO 65 Ca 0.19 2.25 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 1xm0 s PRO 65 Cb -0.11 -4.01 0.08 0.00 0.04 0.00 0.00 34.50 30.49 1xm0 s PRO 65 CO 0.10 -0.87 0.32 -1.54 0.04 0.00 0.00 177.00 175.05 1xm0 s SER 66 N 3.51 0.15 -0.02 6.66 1.04 -1.26 -4.11 113.70 119.66 1xm0 s SER 66 Ca 0.76 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1xm0 s SER 66 Cb -0.35 0.95 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1xm0 s SER 66 CO 0.31 -0.24 0.02 -0.36 0.98 0.00 0.00 173.24 173.95 1xm0 s PHE 67 N 2.50 0.15 0.00 5.02 0.40 -0.73 -4.54 117.98 120.78 1xm0 s PHE 67 Ca 0.01 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1xm0 s PHE 67 Cb -0.12 -0.32 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1xm0 s PHE 67 CO -0.10 -0.11 0.00 2.41 0.70 0.00 0.00 175.22 178.11 1xm0 n THR 68 N 4.21 0.00 0.00 0.64 -1.04 -0.97 0.11 114.28 117.24 1xm0 n THR 68 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1xm0 n THR 68 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.16 -2.82 4.76 0.33 -4.09 118.16 115.19 1xm0 n LYS 69 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1xm0 n LYS 69 Cb 0.00 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.31 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 2.29 -3.10 1.97 -0.04 -1.26 -1.96 135.00 132.90 1xm0 n PRO 70 Ca 0.00 -2.78 -0.20 0.00 -0.04 0.00 0.00 63.50 60.49 1xm0 n PRO 70 Cb 0.00 -2.09 0.01 0.00 -0.04 0.00 0.00 33.50 31.38 1xm0 n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xm0 s ILE 71 N -3.55 3.52 0.00 0.52 1.01 -1.26 -5.02 121.20 116.41 1xm0 s ILE 71 Ca 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1xm0 s ILE 71 Cb 0.44 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1xm0 s ILE 71 CO 0.05 -0.12 0.00 -1.84 0.00 0.00 0.00 174.94 173.03 1xm0 n GLU 72 N -1.91 0.00 -0.23 2.79 0.28 -1.26 -4.88 120.64 115.43 1xm0 n GLU 72 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1xm0 n GLU 72 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 1xm0 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xm0 n GLU 73 N 0.00 0.00 0.00 3.44 -0.58 -1.26 -5.00 120.64 117.24 1xm0 n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xm0 n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xm0 n GLU 74 N 0.00 0.00 -3.81 3.49 1.02 -1.26 -5.00 120.64 115.08 1xm0 n GLU 74 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1xm0 n GLU 74 Cb 0.49 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.74 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xm0 s VAL 75 N 0.00 0.02 0.19 2.62 1.01 -1.26 -1.75 120.40 121.23 1xm0 s VAL 75 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1xm0 s VAL 75 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1xm0 s VAL 75 CO 0.00 0.13 0.26 -0.70 0.00 0.00 0.00 175.10 174.78 1xm0 s GLU 76 N 1.24 3.26 0.05 2.72 2.56 0.43 -4.87 118.70 124.09 1xm0 s GLU 76 Ca -0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 54.97 54.08 1xm0 s GLU 76 Cb -0.13 -2.83 -0.05 0.00 2.00 0.00 0.00 34.13 33.12 1xm0 s GLU 76 CO -0.03 0.48 0.32 -1.83 -0.56 0.00 0.00 175.26 173.65 1xm0 s GLU 77 N -3.45 3.64 0.16 4.30 -1.05 -1.25 -1.38 118.70 119.66 1xm0 s GLU 77 Ca 0.33 -0.01 0.06 0.00 -0.15 0.00 0.00 54.97 55.20 1xm0 s GLU 77 Cb -0.10 -3.02 -0.04 0.00 -0.44 0.00 0.00 34.13 30.53 1xm0 s GLU 77 CO 0.27 0.59 -0.12 0.21 0.95 0.00 0.00 175.26 177.16 1xm0 s LYS 78 N -1.97 1.13 -0.12 -4.83 2.20 0.17 -4.87 119.74 111.45 1xm0 s LYS 78 Ca 0.32 -1.45 -0.18 0.00 -0.36 0.00 0.00 55.97 54.30 1xm0 s LYS 78 Cb -0.13 -0.84 -0.04 0.00 -1.51 0.00 0.00 37.83 35.31 1xm0 s LYS 78 CO 0.18 0.13 0.46 -1.17 -0.36 0.00 0.00 175.35 174.60 1xm0 s LEU 79 N -3.06 4.28 -0.19 5.43 0.20 -1.26 -2.27 118.68 121.81 1xm0 s LEU 79 Ca 0.17 0.80 -0.06 0.00 0.69 0.00 0.00 54.13 55.72 1xm0 s LEU 79 Cb -0.00 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.06 1xm0 s LEU 79 CO 0.03 0.02 0.03 -0.62 -0.29 0.00 0.00 176.35 175.51 1xm0 s ASP 80 N 0.56 5.14 0.99 3.68 2.15 -1.24 -4.92 116.67 123.03 1xm0 s ASP 80 Ca 0.25 -0.10 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1xm0 s ASP 80 Cb -0.15 -1.88 0.19 0.00 -0.30 0.00 0.00 42.92 40.78 1xm0 s ASP 80 CO 0.10 0.10 0.43 0.41 -0.17 0.00 0.00 175.17 176.04 1xm0 n THR 81 N 3.99 0.00 0.37 1.71 -1.04 -1.26 -4.68 114.28 113.37 1xm0 n THR 81 Ca -0.17 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.83 1xm0 n THR 81 Cb 0.52 -0.49 0.01 0.00 -1.82 0.00 0.00 70.33 68.55 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 -1.83 3.91 -3.07 8.00 2.88 -1.26 -4.60 113.62 117.65 1xm0 n SER 82 Ca 0.07 -2.23 -0.15 0.00 -1.33 0.00 0.00 58.87 55.22 1xm0 n SER 82 Cb 0.30 -0.73 0.14 0.00 -0.75 0.00 0.00 64.21 63.16 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1xm0 n HIS 83 N 0.75 -3.16 -0.01 0.66 -0.00 -1.26 -4.80 115.22 107.39 1xm0 n HIS 83 Ca 0.03 -0.45 0.23 0.00 -0.00 0.00 0.00 57.72 57.53 1xm0 n HIS 83 Cb 0.55 -0.60 0.63 0.00 -0.00 0.00 0.00 29.99 30.57 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 -1.99 0.00 -5.80 1.57 0.00 -2.02 -3.38 103.07 91.45 1xm0 h GLY 84 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1xm0 h GLY 84 CO 0.13 0.00 -0.52 -0.29 0.00 0.00 0.00 176.54 175.85 1xm0 s MET 85 N -4.52 0.18 -0.25 4.80 -2.45 -1.26 -5.14 119.30 110.66 1xm0 s MET 85 Ca -0.04 0.36 -0.08 0.00 -1.25 0.00 0.00 55.69 54.68 1xm0 s MET 85 Cb 0.15 -0.03 -0.03 0.00 1.25 0.00 0.00 34.83 36.16 1xm0 s MET 85 CO 0.50 -0.10 0.09 0.42 1.05 0.00 0.00 175.02 176.98 1xm0 s ILE 86 N 0.70 4.52 0.19 10.11 -1.09 -1.26 -4.84 121.20 129.52 1xm0 s ILE 86 Ca -0.05 -0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 1xm0 s ILE 86 Cb -0.06 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1xm0 s ILE 86 CO -0.04 0.33 0.40 -0.13 -1.23 0.00 0.00 174.94 174.27 1xm0 s ARG 87 N 1.55 1.29 -0.38 2.79 0.52 -1.26 -5.06 118.95 118.39 1xm0 s ARG 87 Ca 0.06 -1.06 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 1xm0 s ARG 87 Cb -0.15 0.44 0.02 0.00 0.52 0.00 0.00 34.95 35.78 1xm0 s ARG 87 CO 0.05 -0.51 0.90 0.95 0.02 0.00 0.00 175.30 176.71 1xm0 s THR 88 N -3.94 4.60 0.19 0.02 -4.23 -1.26 -3.59 115.64 107.42 1xm0 s THR 88 Ca 0.15 1.06 -0.30 0.00 -1.18 0.00 0.00 61.69 61.42 1xm0 s THR 88 Cb 0.01 -4.32 -0.08 0.00 1.34 0.00 0.00 72.50 69.45 1xm0 s THR 88 CO -0.00 -0.56 0.95 -1.61 -0.54 0.00 0.00 174.62 172.86 1xm0 s GLU 89 N 3.44 4.79 -0.22 3.99 2.02 -0.96 -2.31 118.70 129.46 1xm0 s GLU 89 Ca 0.37 1.48 -0.04 0.00 0.02 0.00 0.00 54.97 56.79 1xm0 s GLU 89 Cb -0.12 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 1xm0 s GLU 89 CO 0.19 0.39 -0.02 0.08 0.02 0.00 0.00 175.26 175.92 1xm0 s VAL 90 N -0.70 3.60 0.16 2.63 1.01 0.49 0.45 120.40 128.04 1xm0 s VAL 90 Ca 0.43 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1xm0 s VAL 90 Cb -0.25 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1xm0 s VAL 90 CO 0.31 0.41 -0.14 -0.13 0.00 0.00 0.00 175.10 175.56 1xm0 s ARG 91 N 1.38 1.18 0.57 2.72 0.52 -0.48 0.13 118.95 124.97 1xm0 s ARG 91 Ca 0.05 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1xm0 s ARG 91 Cb -0.14 -0.97 0.03 0.00 0.52 0.00 0.00 34.95 34.38 1xm0 s ARG 91 CO -0.01 0.17 0.83 -1.54 0.02 0.00 0.00 175.30 174.76 1xm0 s SER 92 N -2.97 5.32 0.02 0.23 1.04 -0.02 0.16 113.70 117.50 1xm0 s SER 92 Ca 0.17 0.26 -0.26 0.00 0.48 0.00 0.00 55.95 56.60 1xm0 s SER 92 Cb -0.02 -1.18 -0.17 0.00 0.10 0.00 0.00 66.02 64.75 1xm0 s SER 92 CO 0.04 -1.15 1.37 -0.09 0.98 0.00 0.00 173.24 174.40 1xm0 h ARG 93 N -0.06 -0.32 -1.06 4.02 2.43 -1.72 -2.75 114.38 114.92 1xm0 h ARG 93 Ca -0.44 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.05 1xm0 h ARG 93 Cb 1.29 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.85 1xm0 h ARG 93 CO 0.56 -0.03 0.74 1.79 -1.51 0.00 0.00 179.97 181.52 1xm0 h THR 94 N -0.60 0.49 0.00 0.20 1.35 -1.96 -3.46 112.91 108.94 1xm0 h THR 94 Ca -0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1xm0 h THR 94 Cb 0.43 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1xm0 h THR 94 CO 0.06 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.35 1xm0 n ALA 95 N -2.67 0.00 1.48 6.62 0.00 -1.04 -4.97 120.51 119.94 1xm0 n ALA 95 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1xm0 n ALA 95 Cb 1.05 0.00 0.52 0.00 0.00 0.00 0.00 19.45 21.02 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xm0 n ASP 96 N 0.83 0.00 -0.01 0.00 5.68 -1.26 -0.84 116.55 120.96 1xm0 n ASP 96 Ca 0.00 -0.93 -0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1xm0 n ASP 96 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xm0 n SER 97 N -0.87 -0.03 -4.75 -1.12 7.64 -1.26 -3.75 113.62 109.48 1xm0 n SER 97 Ca 0.13 0.40 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 1xm0 n SER 97 Cb 0.06 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1xm0 n SER 97 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xm0 s HIS 98 N -3.15 2.86 -0.02 1.43 2.46 -1.26 -4.87 115.29 112.74 1xm0 s HIS 98 Ca -0.00 1.00 0.04 0.00 0.47 0.00 0.00 55.06 56.57 1xm0 s HIS 98 Cb 0.00 -3.92 -0.07 0.00 -0.13 0.00 0.00 32.58 28.47 1xm0 s HIS 98 CO 0.02 -2.95 0.10 1.28 -2.47 0.00 0.00 174.74 170.72 1xm0 n LEU 99 N 1.84 0.01 0.00 8.88 7.99 0.36 -2.70 117.00 133.37 1xm0 n LEU 99 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1xm0 n LEU 99 Cb 0.39 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1xm0 n LEU 99 CO 0.62 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.11 1xm0 n GLY 100 N 2.19 0.00 2.99 -0.72 0.00 0.31 -0.49 105.19 109.47 1xm0 n GLY 100 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.49 0.01 1.61 2.46 -1.06 0.18 115.29 119.98 1xm0 s HIS 101 Ca 0.00 -0.62 0.08 0.00 0.47 0.00 0.00 55.06 54.99 1xm0 s HIS 101 Cb 0.00 -1.14 -0.03 0.00 -0.13 0.00 0.00 32.58 31.29 1xm0 s HIS 101 CO 0.00 -0.37 -0.25 0.54 -2.47 0.00 0.00 174.74 172.20 1xm0 s VAL 102 N 1.02 2.24 -0.15 0.89 0.11 -0.98 0.30 120.40 123.83 1xm0 s VAL 102 Ca -0.08 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 1xm0 s VAL 102 Cb -0.15 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1xm0 s VAL 102 CO -0.01 0.47 -0.20 0.12 -3.33 0.00 0.00 175.10 172.16 1xm0 s PHE 103 N -0.73 2.72 0.26 1.54 5.36 0.26 -4.65 117.98 122.74 1xm0 s PHE 103 Ca 0.11 -1.32 -0.08 0.00 -0.96 0.00 0.00 56.93 54.69 1xm0 s PHE 103 Cb -0.10 -1.85 -0.06 0.00 -0.34 0.00 0.00 43.02 40.66 1xm0 s PHE 103 CO 0.01 -0.61 0.56 -0.80 -1.46 0.00 0.00 175.22 172.92 1xm0 s ASN 104 N 0.90 6.54 0.00 6.13 0.01 -1.26 -2.57 114.94 124.69 1xm0 s ASN 104 Ca -0.05 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 1xm0 s ASN 104 Cb -0.15 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1xm0 s ASN 104 CO -0.03 -0.14 0.00 0.47 -1.51 0.00 0.00 177.10 175.89 1xm0 n ASP 105 N -0.53 0.00 -1.18 -1.22 8.00 -1.11 -4.95 116.55 115.57 1xm0 n ASP 105 Ca -0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1xm0 n ASP 105 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xm0 n GLY 106 N 0.00 -2.07 1.10 0.44 0.00 -1.26 -3.96 105.19 99.44 1xm0 n GLY 106 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.32 1xm0 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 107 N -3.78 2.76 -1.26 1.61 -0.04 -1.26 -4.80 135.00 128.24 1xm0 n PRO 107 Ca -0.04 -1.56 -0.19 0.00 -0.04 0.00 0.00 63.50 61.66 1xm0 n PRO 107 Cb 0.57 -1.76 0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.49 -1.30 0.04 0.55 0.00 -1.26 -5.01 105.19 98.71 1xm0 n GLY 108 Ca 0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.39 132.00 128.35 1xm0 h PRO 109 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xm0 h PRO 109 Cb 0.77 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1xm0 h PRO 109 CO 0.20 -0.05 -0.28 -2.95 -0.23 0.00 0.00 178.00 174.69 1xm0 h ASN 110 N -0.08 0.00 0.00 1.44 -1.07 -1.92 -3.50 115.58 110.45 1xm0 h ASN 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1xm0 h ASN 110 Cb 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 1xm0 h ASN 110 CO -0.01 0.56 0.00 0.61 0.07 0.00 0.00 177.43 178.65 1xm0 n GLY 111 N 1.70 0.72 3.62 9.14 0.00 -1.25 -4.91 105.19 114.20 1xm0 n GLY 111 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1xm0 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm0 s LEU 112 N 0.00 4.05 -0.22 0.99 1.43 -0.83 -2.74 118.68 121.36 1xm0 s LEU 112 Ca 0.00 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1xm0 s LEU 112 Cb 0.00 -2.61 0.11 0.00 0.03 0.00 0.00 46.19 43.72 1xm0 s LEU 112 CO 0.00 -0.26 0.27 0.00 0.23 0.00 0.00 176.35 176.59 1xm0 s ARG 113 N 2.23 0.25 -0.08 1.70 1.70 -1.06 0.12 118.95 123.81 1xm0 s ARG 113 Ca 0.20 0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.76 1xm0 s ARG 113 Cb -0.16 -0.96 -0.02 0.00 -0.57 0.00 0.00 34.95 33.25 1xm0 s ARG 113 CO 0.09 -0.68 -0.17 0.71 -1.08 0.00 0.00 175.30 174.18 1xm0 s TYR 114 N 2.39 2.67 -0.39 5.89 2.02 0.30 0.93 117.35 131.16 1xm0 s TYR 114 Ca 0.09 -0.48 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 1xm0 s TYR 114 Cb -0.16 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1xm0 s TYR 114 CO -0.15 -0.06 0.96 0.00 -1.57 0.00 0.00 175.55 174.73 1xm0 s ILE 116 N 3.64 2.76 0.26 0.00 -1.09 -1.26 -2.55 121.20 122.95 1xm0 s ILE 116 Ca 0.39 -1.86 -0.00 0.00 -2.23 0.00 0.00 60.65 56.95 1xm0 s ILE 116 Cb -0.11 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1xm0 s ILE 116 CO 0.21 -0.12 0.46 0.20 -1.23 0.00 0.00 174.94 174.46 1xm0 s ASN 117 N -2.76 6.36 0.28 3.58 0.02 -1.26 -4.95 114.94 116.20 1xm0 s ASN 117 Ca 0.23 0.41 -0.02 0.00 -1.02 0.00 0.00 52.86 52.47 1xm0 s ASN 117 Cb -0.08 -2.01 0.39 0.00 0.02 0.00 0.00 41.25 39.56 1xm0 s ASN 117 CO 0.12 -0.14 1.83 0.28 0.02 0.00 0.00 177.10 179.21 1xm0 h SER 118 N 1.48 0.80 0.00 -1.22 0.02 -0.66 -0.14 113.55 113.83 1xm0 h SER 118 Ca -0.49 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1xm0 h SER 118 Cb 1.20 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1xm0 h SER 118 CO 0.65 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 177.11 1xm0 n ALA 119 N -2.46 2.50 -0.05 3.77 0.00 -1.26 -2.30 120.51 120.71 1xm0 n ALA 119 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xm0 n ALA 119 Cb 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.88 2.31 -2.26 0.00 0.00 -0.23 -5.03 120.51 114.42 1xm0 n ALA 120 Ca 0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1xm0 n ALA 120 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1xm0 n ALA 120 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xm0 s LEU 121 N -0.19 2.00 -0.03 0.00 2.34 -0.25 -2.16 118.68 120.40 1xm0 s LEU 121 Ca 0.00 -0.93 0.01 0.00 0.06 0.00 0.00 54.13 53.27 1xm0 s LEU 121 Cb 0.00 0.50 0.01 0.00 -0.56 0.00 0.00 46.19 46.14 1xm0 s LEU 121 CO 0.00 -0.67 -0.04 -0.13 -1.06 0.00 0.00 176.35 174.44 1xm0 s ARG 122 N -3.93 0.65 -0.07 1.48 1.81 -0.47 -4.72 118.95 113.70 1xm0 s ARG 122 Ca 0.10 -0.12 -0.02 0.00 -1.72 0.00 0.00 55.73 53.97 1xm0 s ARG 122 Cb 0.07 -0.67 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 1xm0 s ARG 122 CO -0.08 -0.02 0.03 0.12 -0.68 0.00 0.00 175.30 174.68 1xm0 s PHE 123 N 0.58 3.24 -0.03 -0.53 2.19 -1.26 0.35 117.98 122.52 1xm0 s PHE 123 Ca -0.07 0.24 -0.00 0.00 0.33 0.00 0.00 56.93 57.42 1xm0 s PHE 123 Cb -0.11 -1.79 0.03 0.00 -1.31 0.00 0.00 43.02 39.84 1xm0 s PHE 123 CO -0.00 0.52 0.05 0.54 1.83 0.00 0.00 175.22 178.16 1xm0 s VAL 124 N -0.98 -0.06 0.49 3.12 0.11 -0.10 -4.99 120.40 118.01 1xm0 s VAL 124 Ca 0.16 0.21 -0.22 0.00 -2.93 0.00 0.00 61.98 59.20 1xm0 s VAL 124 Cb -0.12 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.54 1xm0 s VAL 124 CO 0.05 0.09 0.89 -0.81 -3.33 0.00 0.00 175.10 171.99 1xm0 n PRO 125 N 4.18 1.05 0.08 1.54 -0.04 -1.26 -2.22 135.00 138.32 1xm0 n PRO 125 Ca -0.28 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1xm0 n PRO 125 Cb 0.50 -1.99 0.53 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.01 0.28 0.00 0.54 5.09 -1.84 1.10 116.57 122.75 1xm0 h LYS 126 Ca -0.45 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.25 1xm0 h LYS 126 Cb 1.36 -0.06 -0.00 0.00 0.10 0.00 0.00 32.23 33.62 1xm0 h LYS 126 CO 0.53 0.19 -1.04 1.25 -2.09 0.00 0.00 179.45 178.29 1xm0 h HIS 127 N 0.29 0.00 0.00 0.07 2.76 -1.90 -3.21 115.15 113.16 1xm0 h HIS 127 Ca 0.13 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.02 1xm0 h HIS 127 Cb 0.15 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 1xm0 h HIS 127 CO -0.00 0.07 -2.29 1.63 -1.30 0.00 0.00 177.93 176.04 1xm0 n LYS 128 N -2.71 0.68 -0.05 5.26 5.02 -1.02 -4.32 118.16 121.03 1xm0 n LYS 128 Ca -0.01 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1xm0 n LYS 128 Cb 0.58 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 1xm0 h LEU 129 N 0.00 0.31 -1.87 -0.35 8.10 0.11 -3.15 115.31 118.47 1xm0 h LEU 129 Ca -0.41 -0.48 0.08 0.00 0.11 0.00 0.00 57.88 57.18 1xm0 h LEU 129 Cb 1.93 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 42.04 1xm0 h LEU 129 CO 0.02 0.73 0.26 0.07 -4.11 0.00 0.00 178.44 175.41 1xm0 h LYS 130 N -0.09 0.16 0.00 0.17 5.09 -1.73 3.49 116.57 123.65 1xm0 h LYS 130 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1xm0 h LYS 130 Cb 0.64 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.94 1xm0 h LYS 130 CO 0.03 0.10 0.00 -1.91 -2.09 0.00 0.00 179.45 175.58 1xm0 n GLU 131 N -4.46 0.31 0.00 0.07 2.13 -1.24 -2.81 120.64 114.64 1xm0 n GLU 131 Ca 0.05 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.93 1xm0 n GLU 131 Cb 0.33 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.48 1xm0 n GLU 131 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xm0 n GLU 132 N -1.34 2.80 0.02 5.31 1.02 1.08 -5.02 120.64 124.51 1xm0 n GLU 132 Ca 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1xm0 n GLU 132 Cb 0.27 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm0 n GLY 133 N 1.27 -1.57 0.58 0.62 0.00 0.30 -5.02 105.19 101.37 1xm0 n GLY 133 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.84 0.00 0.16 1.61 4.11 -1.25 -4.03 117.16 114.93 1xm0 n TYR 134 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 58.08 1xm0 n TYR 134 Cb 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 39.34 40.14 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.86 177.91 1xm0 h GLU 135 N 0.31 0.00 0.00 -3.48 4.11 -1.93 -3.19 114.58 110.40 1xm0 h GLU 135 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1xm0 h GLU 135 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xm0 h GLU 135 CO 0.00 0.00 -1.05 0.43 0.07 0.00 0.00 179.01 178.46 1xm0 n SER 136 N -3.73 3.82 0.11 3.06 7.64 -1.26 -4.78 113.62 118.48 1xm0 n SER 136 Ca 0.04 -0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1xm0 n SER 136 Cb 0.45 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.18 0.00 1.43 -1.99 -1.85 -2.81 116.97 111.57 1xm0 h TYR 137 Ca -0.02 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1xm0 h TYR 137 Cb 1.03 0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.81 1xm0 h TYR 137 CO 0.00 -0.10 -0.08 -0.07 -0.00 0.00 0.00 178.16 177.92 1xm0 h LEU 138 N -0.21 0.00 -0.34 3.88 4.07 -1.89 -2.27 115.31 118.55 1xm0 h LEU 138 Ca -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1xm0 h LEU 138 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1xm0 h LEU 138 CO 0.03 0.08 0.12 0.45 -1.08 0.00 0.00 178.44 178.04 1xm0 h HIS 139 N 0.00 0.54 0.00 1.13 3.86 -1.72 -2.16 115.15 116.80 1xm0 h HIS 139 Ca -0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1xm0 h HIS 139 Cb 0.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1xm0 h HIS 139 CO 0.00 0.52 0.12 1.25 0.86 0.00 0.00 177.93 180.68 1xm0 h LEU 140 N 0.40 0.00 -1.63 2.43 6.46 -1.34 -3.47 115.31 118.16 1xm0 h LEU 140 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1xm0 h LEU 140 Cb 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1xm0 h LEU 140 CO -0.01 0.00 -0.54 0.49 -0.62 0.00 0.00 178.44 177.76 1xm0 n PHE 141 N -2.95 -2.73 -0.04 1.25 3.01 -0.81 -4.89 117.46 110.30 1xm0 n PHE 141 Ca -0.03 1.63 -0.10 0.00 1.01 0.00 0.00 57.45 59.96 1xm0 n PHE 141 Cb 0.18 -3.00 -0.04 0.00 -0.01 0.00 0.00 39.48 36.61 1xm0 n PHE 141 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1xm0 h ASN 142 N 2.39 0.22 0.00 4.37 -1.07 -1.83 -3.43 115.58 116.22 1xm0 h ASN 142 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1xm0 h ASN 142 Cb 0.00 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.19 1xm0 h ASN 142 CO 0.00 0.19 0.00 2.29 0.07 0.00 0.00 177.43 179.98 1xm0 n LYS 143 N -4.94 0.00 0.00 4.14 2.85 -1.26 -4.70 118.16 114.26 1xm0 n LYS 143 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1xm0 n LYS 143 Cb 0.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1xm0 n LEU 144 N 0.00 0.00 -4.78 -5.58 -0.00 -1.26 -5.15 117.00 100.23 1xm0 n LEU 144 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 1xm0 n LEU 144 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1xm0 n LEU 144 CO 0.00 0.00 0.53 -1.83 -0.00 0.00 0.00 177.39 176.09 1xm0 s GLU 145 N -1.69 4.59 -0.05 1.96 1.03 -1.26 -4.68 118.70 118.60 1xm0 s GLU 145 Ca 0.00 1.21 -0.04 0.00 0.03 0.00 0.00 54.97 56.17 1xm0 s GLU 145 Cb 0.00 -3.15 0.02 0.00 -0.80 0.00 0.00 34.13 30.19 1xm0 s GLU 145 CO 0.00 0.50 0.08 1.58 -1.33 0.00 0.00 175.26 176.10 1xm0 n HIS 146 N 1.32 -4.61 -0.57 4.83 -0.00 -1.26 -5.20 115.22 109.73 1xm0 n HIS 146 Ca -0.03 2.72 0.00 0.00 -0.00 0.00 0.00 57.72 60.41 1xm0 n HIS 146 Cb 0.49 -3.79 0.00 0.00 -0.00 0.00 0.00 29.99 26.68 1xm0 n HIS 146 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06