#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 s ALA 2 N 0.00 4.14 -0.54 3.17 0.00 -1.26 -4.72 121.76 122.56 1xm0 s ALA 2 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 51.96 50.29 1xm0 s ALA 2 Cb 0.00 -0.63 0.10 0.00 0.00 0.00 0.00 23.12 22.59 1xm0 s ALA 2 CO 0.00 -0.31 0.55 0.71 0.00 0.00 0.00 175.76 176.71 1xm0 s TYR 3 N -2.69 3.15 -0.34 0.00 2.02 -1.26 -4.58 117.35 113.66 1xm0 s TYR 3 Ca 0.36 -1.03 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 1xm0 s TYR 3 Cb -0.01 -3.69 0.05 0.00 -0.40 0.00 0.00 41.96 37.91 1xm0 s TYR 3 CO 0.21 -1.05 0.09 -0.80 -1.57 0.00 0.00 175.55 172.44 1xm0 s ASN 4 N 3.28 5.24 0.57 2.29 0.01 -1.26 -4.97 114.94 120.09 1xm0 s ASN 4 Ca 0.07 -1.22 0.38 0.00 -0.71 0.00 0.00 52.86 51.38 1xm0 s ASN 4 Cb -0.26 -1.84 1.46 0.00 0.41 0.00 0.00 41.25 41.03 1xm0 s ASN 4 CO 0.06 -0.33 1.64 0.11 -1.51 0.00 0.00 177.10 177.06 1xm0 h LYS 5 N 8.17 0.00 -0.25 -0.60 1.57 -1.96 1.48 116.57 124.99 1xm0 h LYS 5 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1xm0 h LYS 5 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xm0 h LYS 5 CO 0.60 0.00 0.01 1.05 -0.57 0.00 0.00 179.45 180.54 1xm0 h GLU 6 N 0.00 0.43 -0.51 3.15 -0.00 -1.93 -1.70 114.58 114.02 1xm0 h GLU 6 Ca 0.62 -0.13 0.01 0.00 -0.00 0.00 0.00 59.36 59.85 1xm0 h GLU 6 Cb 2.73 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 31.42 1xm0 h GLU 6 CO -0.01 0.59 0.34 1.49 -0.00 0.00 0.00 179.01 181.43 1xm0 h GLU 7 N 0.22 0.66 0.00 1.06 4.81 0.18 0.29 114.58 121.80 1xm0 h GLU 7 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xm0 h GLU 7 Cb 0.39 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xm0 h GLU 7 CO 0.01 0.44 -0.09 0.87 -0.73 0.00 0.00 179.01 179.51 1xm0 h LYS 8 N 0.68 0.00 0.00 1.92 1.57 -0.27 2.60 116.57 123.07 1xm0 h LYS 8 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xm0 h LYS 8 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xm0 h LYS 8 CO -0.04 0.09 -0.04 0.82 -0.57 0.00 0.00 179.45 179.70 1xm0 h ILE 9 N 0.00 0.00 -0.31 1.86 1.08 0.42 -3.24 117.51 117.33 1xm0 h ILE 9 Ca -0.00 -0.51 -0.23 0.00 -0.39 0.00 0.00 64.86 63.72 1xm0 h ILE 9 Cb 0.16 1.48 -0.39 0.00 -3.07 0.00 0.00 36.82 35.01 1xm0 h ILE 9 CO 0.01 0.00 -1.06 0.29 -0.69 0.00 0.00 178.15 176.70 1xm0 n LYS 10 N -2.31 1.32 0.00 2.37 5.02 0.96 -4.91 118.16 120.62 1xm0 n LYS 10 Ca 0.05 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 1xm0 n LYS 10 Cb 0.44 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1xm0 n LYS 10 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xm0 n SER 11 N -0.29 0.00 0.00 4.39 3.41 0.84 -4.90 113.62 117.06 1xm0 n SER 11 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1xm0 n SER 11 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xm0 n LEU 12 N 0.00 0.00 -3.91 1.04 -0.00 -0.23 -4.29 117.00 109.61 1xm0 n LEU 12 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1xm0 n LEU 12 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1xm0 n LEU 12 CO 0.00 0.00 -0.27 0.54 -0.00 0.00 0.00 177.39 177.66 1xm0 s ASN 13 N 0.00 0.10 0.61 1.45 4.22 -1.26 -1.72 114.94 118.34 1xm0 s ASN 13 Ca 0.00 -0.27 0.30 0.00 -2.14 0.00 0.00 52.86 50.75 1xm0 s ASN 13 Cb 0.00 0.15 1.65 0.00 1.28 0.00 0.00 41.25 44.33 1xm0 s ASN 13 CO 0.00 -0.28 2.04 -0.09 -2.04 0.00 0.00 177.10 176.73 1xm0 h ARG 14 N 4.75 0.00 -0.12 3.55 9.65 -1.81 0.64 114.38 131.03 1xm0 h ARG 14 Ca -0.30 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.46 1xm0 h ARG 14 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1xm0 h ARG 14 CO 0.42 0.00 -0.39 1.98 2.80 0.00 0.00 179.97 184.78 1xm0 h MET 15 N 0.00 0.48 -0.62 0.20 4.05 -1.85 -3.17 114.93 114.02 1xm0 h MET 15 Ca 0.10 -0.35 0.15 0.00 -0.28 0.00 0.00 59.70 59.32 1xm0 h MET 15 Cb 0.67 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.49 1xm0 h MET 15 CO -0.00 0.98 0.43 0.37 0.23 0.00 0.00 176.91 178.92 1xm0 h GLN 16 N 0.08 0.16 0.09 0.39 4.15 -0.10 -2.35 115.11 117.53 1xm0 h GLN 16 Ca -0.01 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1xm0 h GLN 16 Cb 1.01 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 1xm0 h GLN 16 CO 0.08 0.11 -0.28 -0.92 -1.93 0.00 0.00 178.83 175.89 1xm0 h TYR 17 N 0.16 -0.76 -0.10 3.99 3.20 -1.36 -2.42 116.97 119.68 1xm0 h TYR 17 Ca 0.30 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 1xm0 h TYR 17 Cb 0.95 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1xm0 h TYR 17 CO -0.00 -0.38 -0.49 1.05 -1.64 0.00 0.00 178.16 176.70 1xm0 h GLU 18 N -0.48 0.24 -0.41 1.82 -0.00 -1.59 -2.95 114.58 111.22 1xm0 h GLU 18 Ca 0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.25 1xm0 h GLU 18 Cb 0.52 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.26 1xm0 h GLU 18 CO -0.18 0.68 0.21 -0.24 -0.00 0.00 0.00 179.01 179.48 1xm0 h VAL 19 N 0.20 1.13 -0.90 -1.06 3.04 -1.26 0.95 116.25 118.35 1xm0 h VAL 19 Ca 0.01 -0.36 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1xm0 h VAL 19 Cb 0.93 0.59 -0.05 0.00 -2.01 0.00 0.00 31.29 30.75 1xm0 h VAL 19 CO 0.08 0.15 0.58 0.74 -1.01 0.00 0.00 177.57 178.11 1xm0 h THR 20 N 0.57 1.16 -0.52 3.17 2.02 -1.25 0.69 112.91 118.75 1xm0 h THR 20 Ca 0.15 -0.39 -0.30 0.00 0.77 0.00 0.00 66.41 66.63 1xm0 h THR 20 Cb 0.03 -0.08 -0.18 0.00 -1.74 0.00 0.00 68.15 66.18 1xm0 h THR 20 CO -0.02 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 1xm0 n GLN 21 N -4.51 2.14 0.00 6.66 0.00 0.90 -4.65 117.38 117.93 1xm0 n GLN 21 Ca 0.11 -3.30 0.00 0.00 0.00 0.00 0.00 57.00 53.81 1xm0 n GLN 21 Cb 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.37 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 -1.07 0.00 0.25 2.61 4.13 0.29 -4.99 115.26 116.48 1xm0 n ASN 22 Ca 0.40 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.56 1xm0 n ASN 22 Cb 1.07 0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 39.32 1xm0 n ASN 22 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1xm0 h ASN 23 N 0.00 -0.57 0.00 6.41 2.35 -1.61 -3.49 115.58 118.67 1xm0 h ASN 23 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1xm0 h ASN 23 Cb 0.00 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1xm0 h ASN 23 CO 0.00 -0.27 0.00 0.61 -1.65 0.00 0.00 177.43 176.12 1xm0 n GLY 24 N -0.32 0.08 2.95 2.83 0.00 0.24 -4.96 105.19 106.01 1xm0 n GLY 24 Ca -0.08 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.57 1.73 -0.10 2.61 -4.23 -1.26 -4.53 115.64 109.29 1xm0 s THR 25 Ca 0.00 -1.59 -0.05 0.00 -1.18 0.00 0.00 61.69 58.87 1xm0 s THR 25 Cb 0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1xm0 s THR 25 CO 0.00 -0.29 0.12 -0.70 -0.54 0.00 0.00 174.62 173.21 1xm0 s GLU 26 N 1.25 3.35 0.89 3.99 2.12 -1.26 -5.11 118.70 123.94 1xm0 s GLU 26 Ca -0.00 -0.21 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 1xm0 s GLU 26 Cb -0.19 -3.10 0.13 0.00 0.26 0.00 0.00 34.13 31.23 1xm0 s GLU 26 CO -0.09 0.75 1.12 -1.25 -0.54 0.00 0.00 175.26 175.25 1xm0 s PRO 27 N -1.15 1.31 0.00 4.30 0.04 -1.26 -5.03 135.00 133.22 1xm0 s PRO 27 Ca 0.17 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1xm0 s PRO 27 Cb -0.12 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1xm0 s PRO 27 CO 0.06 -2.11 0.00 -0.35 0.04 0.00 0.00 177.00 174.64 1xm0 n PRO 28 N -3.74 0.33 -0.87 0.56 -0.04 -1.26 -4.82 135.00 125.16 1xm0 n PRO 28 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1xm0 n PRO 28 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 -1.19 1.50 -0.49 0.54 3.01 -1.26 -4.39 117.46 115.17 1xm0 n PHE 29 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 57.45 56.64 1xm0 n PHE 29 Cb 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 39.48 37.84 1xm0 n PHE 29 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1xm0 n GLN 30 N 5.40 -1.27 -4.05 -1.08 6.02 -1.26 -4.86 117.38 116.27 1xm0 n GLN 30 Ca 0.45 0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 57.31 1xm0 n GLN 30 Cb 0.24 -3.68 -0.15 0.00 1.02 0.00 0.00 30.24 27.66 1xm0 n GLN 30 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xm0 s ASN 31 N -1.21 4.56 0.48 1.08 0.01 -1.26 -4.96 114.94 113.64 1xm0 s ASN 31 Ca 0.00 -1.67 0.22 0.00 -0.71 0.00 0.00 52.86 50.70 1xm0 s ASN 31 Cb 0.00 -1.58 1.20 0.00 0.41 0.00 0.00 41.25 41.28 1xm0 s ASN 31 CO 0.00 -0.26 2.00 -0.33 -1.51 0.00 0.00 177.10 177.00 1xm0 h GLU 32 N 7.71 0.00 -0.64 -0.60 4.39 -1.89 -2.12 114.58 121.44 1xm0 h GLU 32 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1xm0 h GLU 32 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1xm0 h GLU 32 CO 0.48 0.18 0.00 2.48 -1.16 0.00 0.00 179.01 180.99 1xm0 n TYR 33 N -3.87 0.49 0.00 4.33 0.18 -1.26 0.27 117.16 117.31 1xm0 n TYR 33 Ca -0.02 -0.19 0.00 0.00 1.88 0.00 0.00 57.90 59.58 1xm0 n TYR 33 Cb 0.28 -0.14 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -2.08 0.00 0.00 176.86 176.65 1xm0 n TRP 34 N 0.16 0.00 -0.05 -3.48 -0.00 -0.80 -2.88 117.44 110.39 1xm0 n TRP 34 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.56 1xm0 n TRP 34 Cb 0.40 -0.24 -0.14 0.00 -0.00 0.00 0.00 31.31 31.34 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1xm0 n ASP 35 N 1.98 0.75 0.00 5.87 8.00 -1.26 -4.79 116.55 127.11 1xm0 n ASP 35 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xm0 n ASP 35 Cb 0.00 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1xm0 n HIS 36 N -2.44 0.00 0.00 1.24 8.25 -1.14 -4.99 115.22 116.15 1xm0 n HIS 36 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1xm0 n HIS 36 Cb 0.83 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xm0 n LYS 37 N 0.00 0.00 0.00 -0.41 3.00 -1.26 -5.19 118.16 114.30 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 -1.91 0.00 0.00 0.00 177.40 175.49 1xm0 n GLU 38 N -0.87 0.00 -4.00 1.64 4.07 -1.26 -5.08 120.64 115.13 1xm0 n GLU 38 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1xm0 n GLU 38 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1xm0 s GLU 39 N -4.94 3.21 0.00 5.31 8.01 -1.26 -4.04 118.70 124.99 1xm0 s GLU 39 Ca 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.26 1xm0 s GLU 39 Cb 0.00 -2.83 0.00 0.00 -4.31 0.00 0.00 34.13 26.99 1xm0 s GLU 39 CO 0.00 0.50 0.00 0.41 0.01 0.00 0.00 175.26 176.18 1xm0 n GLY 40 N -0.47 0.41 3.37 -1.39 0.00 -1.26 -2.39 105.19 103.45 1xm0 n GLY 40 Ca -0.08 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1xm0 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm0 s LEU 41 N 0.00 2.38 -0.07 0.99 1.43 -0.94 0.90 118.68 123.37 1xm0 s LEU 41 Ca 0.00 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1xm0 s LEU 41 Cb 0.00 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 1xm0 s LEU 41 CO 0.00 0.08 0.06 -0.31 0.23 0.00 0.00 176.35 176.41 1xm0 s TYR 42 N -1.54 3.31 -0.10 0.29 2.02 0.85 -0.87 117.35 121.30 1xm0 s TYR 42 Ca 0.15 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.11 1xm0 s TYR 42 Cb -0.08 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1xm0 s TYR 42 CO 0.07 0.56 -0.01 0.08 -1.57 0.00 0.00 175.55 174.68 1xm0 s VAL 43 N -1.01 4.15 -0.36 0.71 1.01 1.08 -1.36 120.40 124.62 1xm0 s VAL 43 Ca 0.16 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 1xm0 s VAL 43 Cb -0.12 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1xm0 s VAL 43 CO 0.06 0.57 0.84 -0.62 0.00 0.00 0.00 175.10 175.94 1xm0 s ASP 44 N -0.51 6.61 0.00 3.32 -1.08 0.50 -0.89 116.67 124.62 1xm0 s ASP 44 Ca 0.09 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1xm0 s ASP 44 Cb -0.12 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1xm0 s ASP 44 CO 0.02 -0.77 0.00 -0.38 0.52 0.00 0.00 175.17 174.56 1xm0 n ILE 45 N 5.83 0.00 -1.96 4.11 5.41 -1.08 -4.38 119.36 127.30 1xm0 n ILE 45 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 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 -0.27 0.00 0.00 1.39 0.31 -1.26 -4.89 118.33 113.61 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 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.05 4.52 7.64 -1.26 -2.70 113.62 121.77 1xm0 n SER 47 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1xm0 n SER 47 Cb 0.64 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.52 3.56 0.23 0.00 -1.26 -4.83 105.19 102.38 1xm0 n GLY 48 Ca 0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.55 2.47 0.00 1.61 2.36 -1.10 -4.80 119.74 117.74 1xm0 s LYS 49 Ca -0.26 1.46 0.00 0.00 -2.55 0.00 0.00 55.97 54.62 1xm0 s LYS 49 Cb 0.07 -4.49 0.00 0.00 -1.05 0.00 0.00 37.83 32.36 1xm0 s LYS 49 CO 0.71 -2.86 0.00 -0.35 1.55 0.00 0.00 175.35 174.40 1xm0 n PRO 50 N 8.94 1.16 0.00 4.03 -0.04 -1.26 0.19 135.00 148.02 1xm0 n PRO 50 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1xm0 n PRO 50 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.74 1.53 4.77 -0.46 -2.73 117.00 116.37 1xm0 n LEU 51 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1xm0 n LEU 51 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1xm0 n LEU 51 CO 0.00 0.00 0.05 -0.36 -1.33 0.00 0.00 177.39 175.75 1xm0 s PHE 52 N 0.00 -0.09 -0.10 -1.77 0.40 -1.07 -4.46 117.98 110.89 1xm0 s PHE 52 Ca 0.00 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 1xm0 s PHE 52 Cb 0.00 0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.61 1xm0 s PHE 52 CO 0.00 -0.57 0.56 0.99 0.70 0.00 0.00 175.22 176.90 1xm0 s THR 53 N -3.12 5.14 0.65 0.64 2.01 -1.26 0.29 115.64 119.99 1xm0 s THR 53 Ca -0.01 1.13 0.33 0.00 0.31 0.00 0.00 61.69 63.46 1xm0 s THR 53 Cb 0.01 -3.90 0.35 0.00 0.01 0.00 0.00 72.50 68.97 1xm0 s THR 53 CO -0.07 0.30 2.05 -1.28 -0.69 0.00 0.00 174.62 174.93 1xm0 h SER 54 N 6.73 0.00 -0.47 3.53 0.87 0.31 0.39 113.55 124.92 1xm0 h SER 54 Ca -0.41 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.29 1xm0 h SER 54 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1xm0 h SER 54 CO 0.75 0.00 0.40 0.50 -0.53 0.00 0.00 176.83 177.96 1xm0 h LYS 55 N 0.00 0.00 0.00 2.24 1.63 -1.74 -3.39 116.57 115.31 1xm0 h LYS 55 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1xm0 h LYS 55 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1xm0 h LYS 55 CO -0.00 0.00 0.00 -3.47 -3.45 0.00 0.00 179.45 172.53 1xm0 n ASP 56 N -4.03 0.00 -3.00 4.20 2.03 0.13 -4.89 116.55 110.99 1xm0 n ASP 56 Ca 0.08 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.34 1xm0 n ASP 56 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1xm0 n ASP 56 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xm0 n LYS 57 N 0.00 -0.44 -4.37 -0.67 0.00 -0.62 -4.74 118.16 107.32 1xm0 n LYS 57 Ca 0.00 -0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.04 1xm0 n LYS 57 Cb 0.00 -0.22 -0.10 0.00 -0.00 0.00 0.00 35.03 34.71 1xm0 n LYS 57 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1xm0 s PHE 58 N -2.82 2.45 -0.81 5.58 2.19 -1.26 -1.15 117.98 122.16 1xm0 s PHE 58 Ca 0.02 -0.29 0.00 0.00 0.33 0.00 0.00 56.93 56.99 1xm0 s PHE 58 Cb -0.01 -1.18 0.00 0.00 -1.31 0.00 0.00 43.02 40.52 1xm0 s PHE 58 CO 0.17 0.55 0.00 -3.47 1.83 0.00 0.00 175.22 174.29 1xm0 n ASP 59 N -0.04 0.00 -0.64 6.13 2.03 -1.26 -5.00 116.55 117.77 1xm0 n ASP 59 Ca -0.10 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.29 1xm0 n ASP 59 Cb 0.57 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.49 -3.79 -3.20 1.67 2.88 -1.26 -4.84 113.62 105.56 1xm0 n SER 60 Ca 0.00 0.66 -0.22 0.00 -1.33 0.00 0.00 58.87 57.99 1xm0 n SER 60 Cb 0.00 -1.87 -0.07 0.00 -0.75 0.00 0.00 64.21 61.53 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 -2.38 0.43 -1.50 -1.46 10.64 -1.26 -5.12 117.38 116.72 1xm0 n GLN 61 Ca 0.00 -2.94 0.00 0.00 -1.83 0.00 0.00 57.00 52.24 1xm0 n GLN 61 Cb 0.28 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 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 2.04 3.16 3.62 0.00 0.00 -1.26 -5.01 105.19 107.75 1xm0 n GLY 63 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.35 2.94 -0.18 1.61 0.23 -1.26 -5.09 118.94 115.83 1xm0 s TRP 64 Ca 0.18 -0.01 -0.29 0.00 -2.03 0.00 0.00 56.10 53.94 1xm0 s TRP 64 Cb 0.11 -1.61 0.00 0.00 0.03 0.00 0.00 33.47 32.01 1xm0 s TRP 64 CO 0.08 0.41 1.03 -1.25 0.96 0.00 0.00 176.95 178.18 1xm0 s PRO 65 N -1.56 4.32 0.01 4.98 0.04 -1.26 -5.03 135.00 136.50 1xm0 s PRO 65 Ca 0.19 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 1xm0 s PRO 65 Cb -0.11 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1xm0 s PRO 65 CO 0.09 -0.51 0.29 -1.12 0.04 0.00 0.00 177.00 175.79 1xm0 s SER 66 N 1.17 -0.15 -0.02 6.66 0.01 -1.26 -4.43 113.70 115.67 1xm0 s SER 66 Ca 0.46 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1xm0 s SER 66 Cb -0.16 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1xm0 s SER 66 CO 0.11 -0.49 0.02 -0.36 0.41 0.00 0.00 173.24 172.92 1xm0 s PHE 67 N -1.73 0.13 0.00 2.43 0.08 0.50 -4.82 117.98 114.56 1xm0 s PHE 67 Ca -0.11 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1xm0 s PHE 67 Cb -0.04 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 1xm0 s PHE 67 CO 0.02 -0.10 0.00 -2.37 -0.10 0.00 0.00 175.22 172.66 1xm0 n THR 68 N 4.17 0.00 0.00 0.64 5.66 -0.30 -1.91 114.28 122.54 1xm0 n THR 68 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1xm0 n THR 68 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1xm0 n THR 68 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1xm0 n LYS 69 N 0.00 0.00 0.04 1.09 4.81 0.33 -4.10 118.16 120.34 1xm0 n LYS 69 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1xm0 n LYS 69 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xm0 n PRO 70 N 0.00 0.62 -0.47 1.64 -0.04 -1.26 -2.04 135.00 133.45 1xm0 n PRO 70 Ca 0.00 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1xm0 n PRO 70 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.43 0.00 -0.45 0.52 -5.35 -1.26 -5.00 119.36 105.38 1xm0 n ILE 71 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1xm0 n ILE 71 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.00 0.00 -0.08 6.28 4.07 -1.26 -4.77 120.64 124.89 1xm0 n GLU 72 Ca 0.00 0.15 -0.16 0.00 -0.06 0.00 0.00 57.16 57.09 1xm0 n GLU 72 Cb 0.00 -0.45 -0.06 0.00 -0.06 0.00 0.00 31.44 30.88 1xm0 n GLU 72 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1xm0 n GLU 73 N -0.23 0.32 -0.30 5.31 2.13 -1.26 -4.80 120.64 121.81 1xm0 n GLU 73 Ca 0.00 0.13 -0.04 0.00 0.66 0.00 0.00 57.16 57.92 1xm0 n GLU 73 Cb 0.08 -1.06 -0.05 0.00 0.27 0.00 0.00 31.44 30.68 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 -3.60 0.60 -3.89 5.31 -0.58 -1.26 -4.77 120.64 112.45 1xm0 n GLU 74 Ca -0.29 -0.29 -0.12 0.00 -0.42 0.00 0.00 57.16 56.03 1xm0 n GLU 74 Cb 0.72 -1.64 -0.14 0.00 -0.57 0.00 0.00 31.44 29.81 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1xm0 s VAL 75 N 2.34 0.03 0.18 2.62 -7.23 -1.25 -3.38 120.40 113.70 1xm0 s VAL 75 Ca 0.20 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.38 1xm0 s VAL 75 Cb 0.09 -0.04 -0.03 0.00 0.56 0.00 0.00 36.38 36.96 1xm0 s VAL 75 CO 0.00 0.01 0.28 -0.70 -0.31 0.00 0.00 175.10 174.38 1xm0 s GLU 76 N -0.00 3.37 0.06 4.82 2.12 0.33 -4.81 118.70 124.58 1xm0 s GLU 76 Ca 0.00 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 54.57 1xm0 s GLU 76 Cb -0.00 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1xm0 s GLU 76 CO -0.00 0.49 0.34 -1.21 -0.54 0.00 0.00 175.26 174.34 1xm0 s GLU 77 N -3.41 3.67 0.13 4.30 2.02 -1.19 -0.98 118.70 123.23 1xm0 s GLU 77 Ca 0.34 0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.42 1xm0 s GLU 77 Cb -0.10 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1xm0 s GLU 77 CO 0.28 0.58 -0.14 0.21 0.02 0.00 0.00 175.26 176.22 1xm0 s LYS 78 N -1.96 1.05 -0.10 1.61 2.47 0.30 -4.77 119.74 118.35 1xm0 s LYS 78 Ca 0.32 -1.29 -0.17 0.00 -1.56 0.00 0.00 55.97 53.28 1xm0 s LYS 78 Cb -0.13 -0.89 -0.05 0.00 -1.46 0.00 0.00 37.83 35.30 1xm0 s LYS 78 CO 0.18 0.16 0.43 -1.17 0.16 0.00 0.00 175.35 175.12 1xm0 s LEU 79 N -2.59 4.32 0.29 5.43 1.98 -1.26 -2.09 118.68 124.76 1xm0 s LEU 79 Ca 0.11 0.80 -0.18 0.00 -2.89 0.00 0.00 54.13 51.96 1xm0 s LEU 79 Cb -0.04 -2.61 -0.09 0.00 0.66 0.00 0.00 46.19 44.11 1xm0 s LEU 79 CO 0.03 0.10 0.77 -0.62 -1.89 0.00 0.00 176.35 174.74 1xm0 s ASP 80 N 0.19 6.96 -1.17 3.68 -1.08 -1.26 -5.00 116.67 118.99 1xm0 s ASP 80 Ca 0.24 1.42 -0.04 0.00 -0.52 0.00 0.00 52.55 53.65 1xm0 s ASP 80 Cb -0.15 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.11 1xm0 s ASP 80 CO 0.10 -0.11 2.00 0.41 0.52 0.00 0.00 175.17 178.09 1xm0 n THR 81 N 0.14 5.53 0.00 1.71 -1.04 -1.26 -4.55 114.28 114.81 1xm0 n THR 81 Ca 0.01 -5.20 0.00 0.00 -2.04 0.00 0.00 64.05 56.82 1xm0 n THR 81 Cb 0.52 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xm0 n SER 82 N 1.15 0.00 0.00 8.00 7.64 -1.26 -5.05 113.62 124.10 1xm0 n SER 82 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1xm0 n SER 82 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1xm0 n SER 82 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xm0 n HIS 83 N -0.40 0.00 0.29 1.43 8.25 -1.26 -4.97 115.22 118.56 1xm0 n HIS 83 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1xm0 n HIS 83 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xm0 h GLY 84 N 0.00 -1.01 -5.52 -1.41 0.00 -1.97 -3.40 103.07 89.75 1xm0 h GLY 84 Ca 0.00 0.46 -0.66 0.00 0.00 0.00 0.00 47.33 47.13 1xm0 h GLY 84 CO 0.00 -0.34 -0.67 1.06 0.00 0.00 0.00 176.54 176.59 1xm0 s MET 85 N -5.97 3.27 -0.19 4.80 -1.94 -1.26 -5.10 119.30 112.91 1xm0 s MET 85 Ca -0.17 -0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1xm0 s MET 85 Cb 0.05 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1xm0 s MET 85 CO 0.62 0.45 -0.16 0.96 -0.01 0.00 0.00 175.02 176.88 1xm0 s ILE 86 N -0.22 2.38 0.17 2.53 -4.36 -1.26 -4.85 121.20 115.60 1xm0 s ILE 86 Ca 0.04 -0.83 -0.09 0.00 -0.26 0.00 0.00 60.65 59.51 1xm0 s ILE 86 Cb -0.13 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1xm0 s ILE 86 CO 0.02 0.51 0.29 0.00 0.24 0.00 0.00 174.94 176.00 1xm0 s ARG 87 N 1.30 1.19 -0.37 0.37 1.70 -1.26 -5.13 118.95 116.75 1xm0 s ARG 87 Ca 0.04 -1.22 -0.19 0.00 -0.47 0.00 0.00 55.73 53.89 1xm0 s ARG 87 Cb -0.13 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1xm0 s ARG 87 CO -0.10 -0.44 0.58 0.95 -1.08 0.00 0.00 175.30 175.21 1xm0 s THR 88 N -3.99 4.94 0.21 4.99 -4.23 -1.26 -4.50 115.64 111.79 1xm0 s THR 88 Ca 0.19 0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.75 1xm0 s THR 88 Cb 0.03 -4.06 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 1xm0 s THR 88 CO 0.02 -0.34 0.97 -1.61 -0.54 0.00 0.00 174.62 173.12 1xm0 s GLU 89 N 2.58 4.79 -0.24 3.99 2.02 -0.89 -1.86 118.70 129.10 1xm0 s GLU 89 Ca 0.21 1.52 -0.07 0.00 0.02 0.00 0.00 54.97 56.65 1xm0 s GLU 89 Cb -0.15 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1xm0 s GLU 89 CO 0.15 0.39 0.06 0.08 0.02 0.00 0.00 175.26 175.96 1xm0 s VAL 90 N -0.81 4.27 0.18 2.63 1.01 0.22 -0.54 120.40 127.35 1xm0 s VAL 90 Ca 0.43 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1xm0 s VAL 90 Cb -0.26 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1xm0 s VAL 90 CO 0.32 0.36 -0.13 -0.13 0.00 0.00 0.00 175.10 175.52 1xm0 s ARG 91 N 1.42 1.22 0.39 2.72 0.52 -0.16 0.26 118.95 125.31 1xm0 s ARG 91 Ca 0.05 -1.50 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1xm0 s ARG 91 Cb -0.15 -0.97 -0.01 0.00 0.52 0.00 0.00 34.95 34.34 1xm0 s ARG 91 CO 0.03 0.16 0.42 -1.12 0.02 0.00 0.00 175.30 174.80 1xm0 s SER 92 N -3.14 5.38 -1.23 0.23 0.01 0.29 0.12 113.70 115.37 1xm0 s SER 92 Ca 0.19 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1xm0 s SER 92 Cb -0.01 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1xm0 s SER 92 CO 0.05 -0.57 0.00 0.54 0.41 0.00 0.00 173.24 173.66 1xm0 n ARG 93 N -1.59 -1.61 -0.76 12.44 5.12 -1.22 0.14 116.66 129.18 1xm0 n ARG 93 Ca 0.03 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1xm0 n ARG 93 Cb 0.60 -5.05 0.00 0.00 -1.16 0.00 0.00 32.46 26.85 1xm0 n ARG 93 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1xm0 n THR 94 N -2.38 0.00 0.00 0.55 -1.04 -1.26 -4.85 114.28 105.30 1xm0 n THR 94 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1xm0 n THR 94 Cb 0.48 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1xm0 n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xm0 n ALA 95 N 0.29 0.00 0.00 2.41 0.00 0.37 -4.75 120.51 118.83 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 -3.47 0.00 0.00 0.00 177.50 174.03 1xm0 n ASP 96 N 0.00 0.00 -0.90 0.00 2.03 -1.24 -0.54 116.55 115.89 1xm0 n ASP 96 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xm0 n ASP 96 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xm0 n SER 97 N 0.00 1.38 -0.21 1.67 7.64 -1.25 -4.89 113.62 117.97 1xm0 n SER 97 Ca 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1xm0 n SER 97 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.14 0.00 0.01 1.43 8.25 -1.26 -2.60 115.22 120.91 1xm0 n HIS 98 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1xm0 n HIS 98 Cb 0.00 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.18 0.01 0.00 2.41 7.99 0.73 -1.86 117.00 126.10 1xm0 n LEU 99 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1xm0 n LEU 99 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1xm0 n LEU 99 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1xm0 n GLY 100 N 2.21 0.00 2.83 -0.72 0.00 0.16 -0.61 105.19 109.07 1xm0 n GLY 100 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.08 0.04 1.61 2.46 -1.08 -1.14 115.29 117.10 1xm0 s HIS 101 Ca 0.00 0.37 0.03 0.00 0.47 0.00 0.00 55.06 55.93 1xm0 s HIS 101 Cb 0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.21 1xm0 s HIS 101 CO 0.00 -0.17 -0.08 0.54 -2.47 0.00 0.00 174.74 172.56 1xm0 s VAL 102 N 1.50 0.61 -0.20 0.89 0.11 -0.77 0.30 120.40 122.83 1xm0 s VAL 102 Ca -0.05 -0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1xm0 s VAL 102 Cb -0.12 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1xm0 s VAL 102 CO -0.05 -0.25 -0.10 0.12 -3.33 0.00 0.00 175.10 171.49 1xm0 s PHE 103 N -1.12 2.89 0.25 1.54 5.36 0.84 -4.40 117.98 123.34 1xm0 s PHE 103 Ca -0.06 -1.16 -0.07 0.00 -0.96 0.00 0.00 56.93 54.67 1xm0 s PHE 103 Cb -0.08 -2.03 -0.06 0.00 -0.34 0.00 0.00 43.02 40.50 1xm0 s PHE 103 CO 0.01 -0.62 0.54 -0.80 -1.46 0.00 0.00 175.22 172.88 1xm0 s ASN 104 N 1.37 6.52 -0.84 6.13 -0.87 -1.26 -2.45 114.94 123.54 1xm0 s ASN 104 Ca 0.05 0.80 -0.23 0.00 -1.57 0.00 0.00 52.86 51.91 1xm0 s ASN 104 Cb -0.14 -2.18 -0.18 0.00 -0.02 0.00 0.00 41.25 38.73 1xm0 s ASN 104 CO -0.06 -0.13 2.26 -0.67 -2.57 0.00 0.00 177.10 175.94 1xm0 n ASP 105 N -0.52 1.07 0.00 -1.22 2.03 -1.26 -4.67 116.55 111.99 1xm0 n ASP 105 Ca -0.01 -1.53 0.00 0.00 0.52 0.00 0.00 54.79 53.77 1xm0 n ASP 105 Cb 0.53 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 6.40 0.12 0.31 0.27 0.00 -1.26 -4.76 105.19 106.27 1xm0 n GLY 106 Ca 0.47 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.68 1xm0 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xm0 h PRO 107 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.43 132.00 128.27 1xm0 h PRO 107 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xm0 h PRO 107 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xm0 h PRO 107 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1xm0 n GLY 108 N -1.15 1.25 3.73 1.56 0.00 -1.26 -5.14 105.19 104.18 1xm0 n GLY 108 Ca -0.02 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1xm0 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 109 N -0.02 2.62 0.00 1.61 -0.04 -1.26 -4.76 135.00 133.14 1xm0 n PRO 109 Ca 0.00 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1xm0 n PRO 109 Cb 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1xm0 n PRO 109 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xm0 n ASN 110 N 2.69 0.53 0.00 3.54 0.23 -1.26 -5.04 115.26 115.95 1xm0 n ASN 110 Ca 0.11 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1xm0 n ASN 110 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1xm0 n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xm0 n GLY 111 N -0.09 1.31 3.28 4.83 0.00 -1.26 -4.72 105.19 108.54 1xm0 n GLY 111 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 2.53 -0.25 0.99 1.43 -0.87 -4.47 118.68 118.05 1xm0 s LEU 112 Ca 0.00 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1xm0 s LEU 112 Cb 0.00 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.70 1xm0 s LEU 112 CO 0.00 0.08 -0.03 -0.13 0.23 0.00 0.00 176.35 176.50 1xm0 s ARG 113 N 0.84 1.56 -0.18 1.70 0.52 -1.03 0.12 118.95 122.48 1xm0 s ARG 113 Ca -0.04 -1.09 -0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1xm0 s ARG 113 Cb -0.15 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1xm0 s ARG 113 CO -0.00 -0.66 -0.16 -0.47 0.02 0.00 0.00 175.30 174.03 1xm0 s TYR 114 N 1.36 2.82 -0.38 -0.53 5.04 -0.80 0.29 117.35 125.14 1xm0 s TYR 114 Ca -0.03 -1.37 -0.19 0.00 -2.44 0.00 0.00 57.07 53.05 1xm0 s TYR 114 Cb -0.19 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.18 1xm0 s TYR 114 CO -0.08 -0.68 0.54 0.00 -1.34 0.00 0.00 175.55 173.99 1xm0 s ILE 116 N 2.48 2.79 0.20 0.00 1.10 -1.26 -2.64 121.20 123.86 1xm0 s ILE 116 Ca 0.19 -1.84 0.04 0.00 -0.51 0.00 0.00 60.65 58.54 1xm0 s ILE 116 Cb -0.15 -2.36 -0.03 0.00 0.15 0.00 0.00 42.46 40.06 1xm0 s ILE 116 CO 0.15 -0.11 0.28 0.20 -2.11 0.00 0.00 174.94 173.35 1xm0 s ASN 117 N -2.76 6.12 0.16 4.50 0.02 -1.26 -4.87 114.94 116.85 1xm0 s ASN 117 Ca 0.23 0.03 -0.13 0.00 -1.02 0.00 0.00 52.86 51.97 1xm0 s ASN 117 Cb -0.08 -1.76 0.05 0.00 0.02 0.00 0.00 41.25 39.47 1xm0 s ASN 117 CO 0.13 -0.01 1.70 -1.28 0.02 0.00 0.00 177.10 177.66 1xm0 h SER 118 N 1.69 0.75 0.00 -1.22 0.87 -0.40 -0.62 113.55 114.62 1xm0 h SER 118 Ca -0.50 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1xm0 h SER 118 Cb 1.22 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1xm0 h SER 118 CO 0.64 0.73 0.00 0.00 -0.53 0.00 0.00 176.83 177.66 1xm0 n ALA 119 N -2.35 2.41 -0.51 6.23 0.00 -1.26 -1.79 120.51 123.24 1xm0 n ALA 119 Ca 0.02 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1xm0 n ALA 119 Cb 0.17 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.89 2.32 -2.73 0.00 0.00 -0.29 -5.03 120.51 113.88 1xm0 n ALA 120 Ca 0.15 -1.70 -0.09 0.00 0.00 0.00 0.00 53.44 51.80 1xm0 n ALA 120 Cb 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.83 1.01 -0.11 0.00 0.05 -0.74 -2.62 118.68 114.44 1xm0 s LEU 121 Ca 0.22 -0.60 0.01 0.00 0.05 0.00 0.00 54.13 53.81 1xm0 s LEU 121 Cb 0.17 1.32 0.02 0.00 -2.05 0.00 0.00 46.19 45.65 1xm0 s LEU 121 CO 0.07 -0.81 -0.12 -0.60 -0.55 0.00 0.00 176.35 174.33 1xm0 s ARG 122 N -3.87 1.96 -0.10 1.48 3.00 -0.07 -4.80 118.95 116.56 1xm0 s ARG 122 Ca 0.07 -0.45 -0.06 0.00 -1.00 0.00 0.00 55.73 54.29 1xm0 s ARG 122 Cb 0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 34.95 33.17 1xm0 s ARG 122 CO -0.09 -0.14 0.13 -0.59 0.00 0.00 0.00 175.30 174.61 1xm0 s PHE 123 N 1.23 3.54 -0.01 5.12 -0.71 -1.26 0.35 117.98 126.25 1xm0 s PHE 123 Ca -0.02 0.47 0.01 0.00 -1.04 0.00 0.00 56.93 56.35 1xm0 s PHE 123 Cb -0.14 -1.91 0.00 0.00 -1.21 0.00 0.00 43.02 39.77 1xm0 s PHE 123 CO -0.04 0.70 -0.04 0.08 -1.34 0.00 0.00 175.22 174.57 1xm0 s VAL 124 N -1.06 0.35 0.43 -2.49 1.01 -0.05 -4.98 120.40 113.61 1xm0 s VAL 124 Ca 0.17 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1xm0 s VAL 124 Cb -0.12 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1xm0 s VAL 124 CO 0.06 0.12 1.36 -0.81 0.00 0.00 0.00 175.10 175.84 1xm0 n PRO 125 N 3.28 2.15 0.25 2.72 -0.04 -1.26 -2.22 135.00 139.88 1xm0 n PRO 125 Ca -0.17 0.76 0.15 0.00 -0.04 0.00 0.00 63.50 64.20 1xm0 n PRO 125 Cb 0.56 -2.51 0.83 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.28 0.00 0.00 0.54 2.10 -1.82 1.18 116.57 120.85 1xm0 h LYS 126 Ca -0.49 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 57.98 1xm0 h LYS 126 Cb 1.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.58 1xm0 h LYS 126 CO 0.61 0.00 -1.47 0.72 -2.00 0.00 0.00 179.45 177.31 1xm0 n HIS 127 N -3.98 0.95 -0.02 0.07 8.25 -1.26 -3.95 115.22 115.28 1xm0 n HIS 127 Ca -0.01 0.32 0.09 0.00 -0.26 0.00 0.00 57.72 57.86 1xm0 n HIS 127 Cb 0.18 -1.09 -0.17 0.00 1.12 0.00 0.00 29.99 30.03 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 -2.89 0.66 0.07 -0.41 3.00 -0.92 -4.31 118.16 113.37 1xm0 n LYS 128 Ca -0.11 -0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 57.90 1xm0 n LYS 128 Cb 0.86 -1.52 -0.08 0.00 0.00 0.00 0.00 35.03 34.28 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 0.00 -0.18 -1.89 3.14 8.10 0.13 -2.33 115.31 122.27 1xm0 h LEU 129 Ca -0.04 -0.33 0.04 0.00 0.11 0.00 0.00 57.88 57.66 1xm0 h LEU 129 Cb 1.10 0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.36 1xm0 h LEU 129 CO 0.00 0.28 0.17 0.07 -4.11 0.00 0.00 178.44 174.86 1xm0 h LYS 130 N -0.71 0.13 0.00 0.17 2.10 -1.59 4.90 116.57 121.58 1xm0 h LYS 130 Ca -0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1xm0 h LYS 130 Cb 0.50 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1xm0 h LYS 130 CO 0.04 0.09 -0.05 0.93 -2.00 0.00 0.00 179.45 178.45 1xm0 h GLU 131 N 0.14 0.00 0.00 0.07 4.39 -1.75 -3.21 114.58 114.22 1xm0 h GLU 131 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1xm0 h GLU 131 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1xm0 h GLU 131 CO -0.02 0.00 -0.86 0.39 -1.16 0.00 0.00 179.01 177.37 1xm0 n GLU 132 N -2.44 2.20 0.00 2.33 4.71 0.30 -5.08 120.64 122.67 1xm0 n GLU 132 Ca 0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1xm0 n GLU 132 Cb 0.45 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xm0 n GLY 133 N 1.42 2.89 2.36 0.62 0.00 1.53 -5.00 105.19 109.01 1xm0 n GLY 133 Ca 0.01 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1xm0 n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xm0 n TYR 134 N -1.10 -0.49 -0.19 1.61 4.01 -1.26 -2.37 117.16 117.36 1xm0 n TYR 134 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1xm0 n TYR 134 Cb 0.00 -3.09 0.26 0.00 -0.31 0.00 0.00 39.34 36.20 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1xm0 h GLU 135 N 0.00 0.93 0.00 -0.72 4.11 -1.84 -1.33 114.58 115.74 1xm0 h GLU 135 Ca -0.36 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 58.89 1xm0 h GLU 135 Cb 1.19 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1xm0 h GLU 135 CO 0.46 0.62 -0.56 1.03 0.07 0.00 0.00 179.01 180.63 1xm0 h SER 136 N 0.96 0.00 -0.10 3.06 0.87 -1.89 -3.03 113.55 113.43 1xm0 h SER 136 Ca 0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1xm0 h SER 136 Cb -0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1xm0 h SER 136 CO -0.05 0.56 0.06 1.88 -0.53 0.00 0.00 176.83 178.74 1xm0 h TYR 137 N 0.00 0.14 -0.20 2.24 -1.99 -1.62 -1.41 116.97 114.14 1xm0 h TYR 137 Ca -0.01 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.78 1xm0 h TYR 137 Cb 1.06 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1xm0 h TYR 137 CO 0.00 0.10 0.30 -0.07 -0.00 0.00 0.00 178.16 178.49 1xm0 h LEU 138 N 0.15 0.00 -0.83 3.88 4.07 -1.46 0.23 115.31 121.34 1xm0 h LEU 138 Ca 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1xm0 h LEU 138 Cb 0.01 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1xm0 h LEU 138 CO -0.01 0.00 0.19 0.45 -1.08 0.00 0.00 178.44 178.00 1xm0 h HIS 139 N 0.00 1.10 -0.34 1.13 3.86 -1.46 -2.01 115.15 117.43 1xm0 h HIS 139 Ca 0.09 -0.11 0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1xm0 h HIS 139 Cb 0.70 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1xm0 h HIS 139 CO 0.00 0.89 0.34 1.25 0.86 0.00 0.00 177.93 181.26 1xm0 h LEU 140 N 1.02 0.00 0.00 2.43 5.85 -0.71 -3.42 115.31 120.48 1xm0 h LEU 140 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1xm0 h LEU 140 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xm0 h LEU 140 CO -0.00 0.00 0.00 0.33 -0.34 0.00 0.00 178.44 178.43 1xm0 n PHE 141 N -3.86 0.00 0.00 1.25 7.35 -0.76 -4.87 117.46 116.58 1xm0 n PHE 141 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1xm0 n PHE 141 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1xm0 n PHE 141 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1xm0 n ASN 142 N 0.00 0.00 0.00 -2.13 2.85 -1.25 -4.46 115.26 110.27 1xm0 n ASN 142 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xm0 n ASN 142 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1xm0 n ASN 142 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1xm0 n LYS 143 N -0.00 0.00 -3.92 1.20 4.81 -1.26 -4.25 118.16 114.73 1xm0 n LYS 143 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1xm0 n LYS 143 Cb 0.00 -1.62 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1xm0 n LYS 143 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1xm0 n LEU 144 N 0.00 -0.59 -4.55 3.14 -0.00 -1.26 -4.89 117.00 108.85 1xm0 n LEU 144 Ca 0.00 -0.72 -0.34 0.00 -0.00 0.00 0.00 56.01 54.96 1xm0 n LEU 144 Cb 0.00 -1.43 -0.12 0.00 -0.00 0.00 0.00 43.42 41.88 1xm0 n LEU 144 CO 0.00 0.07 -0.40 -0.70 -0.00 0.00 0.00 177.39 176.36 1xm0 s GLU 145 N -6.56 2.76 0.00 1.47 -6.30 -1.26 -4.83 118.70 103.98 1xm0 s GLU 145 Ca 0.58 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 52.47 1xm0 s GLU 145 Cb -0.34 -2.56 0.00 0.00 0.00 0.00 0.00 34.13 31.23 1xm0 s GLU 145 CO 0.72 0.62 0.00 1.58 0.02 0.00 0.00 175.26 178.19 1xm0 n HIS 146 N 2.36 0.00 -0.36 5.30 -0.00 -1.26 -5.18 115.22 116.07 1xm0 n HIS 146 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1xm0 n HIS 146 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38