#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 -3.17 -2.85 -5.12 0.00 -1.26 -4.63 120.51 103.48 1xm0 n ALA 2 Ca 0.00 0.74 -0.43 0.00 0.00 0.00 0.00 53.44 53.75 1xm0 n ALA 2 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1xm0 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xm0 s TYR 3 N -3.83 2.76 0.19 0.00 -0.85 -1.26 -5.02 117.35 109.33 1xm0 s TYR 3 Ca 0.00 -0.74 -0.30 0.00 -0.52 0.00 0.00 57.07 55.51 1xm0 s TYR 3 Cb 0.00 -4.32 -0.08 0.00 0.38 0.00 0.00 41.96 37.95 1xm0 s TYR 3 CO 0.00 -1.64 1.01 0.54 -1.52 0.00 0.00 175.55 173.95 1xm0 s ASN 4 N 3.73 7.45 0.56 -0.18 4.22 -1.26 -4.92 114.94 124.54 1xm0 s ASN 4 Ca 0.26 1.98 0.40 0.00 -2.14 0.00 0.00 52.86 53.36 1xm0 s ASN 4 Cb -0.13 -2.60 1.54 0.00 1.28 0.00 0.00 41.25 41.33 1xm0 s ASN 4 CO 0.05 -0.06 1.67 0.50 -2.04 0.00 0.00 177.10 177.22 1xm0 h LYS 5 N 4.82 0.00 -0.47 3.55 3.64 -2.00 2.11 116.57 128.23 1xm0 h LYS 5 Ca -0.44 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1xm0 h LYS 5 Cb 1.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1xm0 h LYS 5 CO 0.70 0.00 0.24 1.49 -2.27 0.00 0.00 179.45 179.61 1xm0 h GLU 6 N 0.00 0.46 -0.36 1.90 4.57 -1.99 0.04 114.58 119.20 1xm0 h GLU 6 Ca 0.66 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.84 1xm0 h GLU 6 Cb 2.80 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 31.27 1xm0 h GLU 6 CO -0.01 0.30 0.24 1.49 -1.18 0.00 0.00 179.01 179.86 1xm0 h GLU 7 N 0.47 0.36 -1.00 1.92 4.81 0.31 2.42 114.58 123.88 1xm0 h GLU 7 Ca 0.20 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1xm0 h GLU 7 Cb 0.11 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 1xm0 h GLU 7 CO -0.14 0.24 0.64 0.87 -0.73 0.00 0.00 179.01 179.89 1xm0 h LYS 8 N 0.37 1.07 0.00 1.92 6.56 -0.59 5.14 116.57 131.05 1xm0 h LYS 8 Ca 0.15 -0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.56 1xm0 h LYS 8 Cb 0.12 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 1xm0 h LYS 8 CO -0.03 0.71 -1.19 0.82 -2.06 0.00 0.00 179.45 177.69 1xm0 h ILE 9 N 1.10 0.36 -0.57 1.86 1.08 -0.28 -3.29 117.51 117.78 1xm0 h ILE 9 Ca 0.45 -1.69 -0.13 0.00 -0.39 0.00 0.00 64.86 63.10 1xm0 h ILE 9 Cb 0.28 1.90 -0.08 0.00 -3.07 0.00 0.00 36.82 35.85 1xm0 h ILE 9 CO -0.20 0.21 0.14 1.17 -0.69 0.00 0.00 178.15 178.77 1xm0 n LYS 10 N -2.85 3.57 -0.03 2.37 0.00 0.78 -3.38 118.16 118.62 1xm0 n LYS 10 Ca -0.06 -3.06 0.04 0.00 0.00 0.00 0.00 58.31 55.23 1xm0 n LYS 10 Cb 0.74 -2.11 -0.15 0.00 0.00 0.00 0.00 35.03 33.51 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xm0 n SER 11 N -0.21 0.10 0.00 3.14 2.88 1.66 -4.79 113.62 116.41 1xm0 n SER 11 Ca 0.34 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1xm0 n SER 11 Cb 1.22 1.50 0.00 0.00 -0.75 0.00 0.00 64.21 66.18 1xm0 n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xm0 n LEU 12 N -2.47 0.00 -4.26 2.46 4.32 -1.22 -3.31 117.00 112.52 1xm0 n LEU 12 Ca -0.13 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.54 1xm0 n LEU 12 Cb 0.76 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.40 1xm0 n LEU 12 CO 0.45 0.00 -0.53 0.54 -1.22 0.00 0.00 177.39 176.62 1xm0 s ASN 13 N -4.00 3.32 0.64 -1.43 4.22 -1.26 -4.95 114.94 111.48 1xm0 s ASN 13 Ca 0.00 -0.49 0.32 0.00 -2.14 0.00 0.00 52.86 50.54 1xm0 s ASN 13 Cb 0.00 -1.40 1.74 0.00 1.28 0.00 0.00 41.25 42.88 1xm0 s ASN 13 CO 0.00 0.17 2.02 0.08 -2.04 0.00 0.00 177.10 177.33 1xm0 h ARG 14 N 6.62 0.00 -0.11 3.55 0.11 -1.94 0.69 114.38 123.31 1xm0 h ARG 14 Ca -0.22 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.77 1xm0 h ARG 14 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1xm0 h ARG 14 CO 0.49 0.00 -0.27 1.98 0.10 0.00 0.00 179.97 182.27 1xm0 h MET 15 N 0.00 0.38 -0.62 0.08 4.05 -1.94 -3.19 114.93 113.69 1xm0 h MET 15 Ca 0.05 -0.26 0.15 0.00 -0.28 0.00 0.00 59.70 59.35 1xm0 h MET 15 Cb 0.60 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1xm0 h MET 15 CO -0.00 0.87 0.43 0.37 0.23 0.00 0.00 176.91 178.81 1xm0 h GLN 16 N -0.06 0.19 -0.55 0.39 4.15 0.18 -1.05 115.11 118.36 1xm0 h GLN 16 Ca -0.00 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1xm0 h GLN 16 Cb 0.88 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.45 1xm0 h GLN 16 CO 0.06 0.13 0.13 -0.92 -1.93 0.00 0.00 178.83 176.29 1xm0 h TYR 17 N 0.20 0.21 -0.17 3.99 3.20 -1.46 -1.31 116.97 121.63 1xm0 h TYR 17 Ca 0.30 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.06 1xm0 h TYR 17 Cb 0.90 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1xm0 h TYR 17 CO -0.00 0.00 -0.48 1.05 -1.64 0.00 0.00 178.16 177.09 1xm0 h GLU 18 N 0.27 0.45 -0.49 1.82 4.11 -1.35 -3.04 114.58 116.34 1xm0 h GLU 18 Ca 0.28 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 1xm0 h GLU 18 Cb 0.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1xm0 h GLU 18 CO -0.35 0.83 0.24 -0.24 0.07 0.00 0.00 179.01 179.56 1xm0 h VAL 19 N 0.36 1.16 -0.11 -1.06 3.04 -0.97 1.27 116.25 119.94 1xm0 h VAL 19 Ca 0.02 -0.46 0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1xm0 h VAL 19 Cb 0.97 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1xm0 h VAL 19 CO 0.09 0.19 0.06 0.74 -1.01 0.00 0.00 177.57 177.63 1xm0 h THR 20 N 0.69 1.01 -0.58 3.17 2.02 -1.23 0.93 112.91 118.91 1xm0 h THR 20 Ca 0.17 -0.04 -0.39 0.00 0.77 0.00 0.00 66.41 66.92 1xm0 h THR 20 Cb 0.07 0.87 -0.25 0.00 -1.74 0.00 0.00 68.15 67.09 1xm0 h THR 20 CO -0.02 0.02 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 1xm0 n GLN 21 N -5.03 2.61 0.00 6.66 0.00 -0.62 -4.71 117.38 116.28 1xm0 n GLN 21 Ca -0.05 -3.58 0.00 0.00 0.00 0.00 0.00 57.00 53.37 1xm0 n GLN 21 Cb 0.04 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.23 1xm0 n GLN 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1xm0 n ASN 22 N -0.94 0.00 0.00 2.61 5.15 0.43 -4.99 115.26 117.52 1xm0 n ASN 22 Ca 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1xm0 n ASN 22 Cb 0.93 0.21 0.00 0.00 -0.53 0.00 0.00 39.78 40.39 1xm0 n ASN 22 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1xm0 n ASN 23 N -1.99 0.00 0.00 1.20 2.85 -1.18 -4.98 115.26 111.16 1xm0 n ASN 23 Ca 0.00 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 1xm0 n ASN 23 Cb 0.00 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 40.70 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 0.61 0.50 3.58 8.20 0.00 0.31 -4.85 105.19 113.55 1xm0 n GLY 24 Ca 0.00 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.11 3.88 -0.13 2.61 -4.23 -1.26 -4.60 115.64 111.80 1xm0 s THR 25 Ca 0.00 0.80 -0.27 0.00 -1.18 0.00 0.00 61.69 61.05 1xm0 s THR 25 Cb 0.00 -4.44 -0.02 0.00 1.34 0.00 0.00 72.50 69.38 1xm0 s THR 25 CO 0.00 -1.09 0.88 -1.83 -0.54 0.00 0.00 174.62 172.03 1xm0 s GLU 26 N 5.22 4.37 0.53 3.99 1.03 -1.26 -5.05 118.70 127.53 1xm0 s GLU 26 Ca 0.53 1.13 -0.17 0.00 0.03 0.00 0.00 54.97 56.49 1xm0 s GLU 26 Cb -0.11 -3.54 -0.07 0.00 -0.80 0.00 0.00 34.13 29.62 1xm0 s GLU 26 CO 0.27 -0.26 1.01 -1.25 -1.33 0.00 0.00 175.26 173.70 1xm0 s PRO 27 N 1.88 3.75 0.66 -4.83 0.04 -1.26 -5.05 135.00 130.18 1xm0 s PRO 27 Ca 0.42 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 1xm0 s PRO 27 Cb -0.17 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1xm0 s PRO 27 CO 0.16 -0.44 1.05 -1.25 0.04 0.00 0.00 177.00 176.56 1xm0 s PRO 28 N -3.99 3.15 0.03 0.56 0.04 -1.26 -5.07 135.00 128.45 1xm0 s PRO 28 Ca 0.61 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 1xm0 s PRO 28 Cb -0.12 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1xm0 s PRO 28 CO 0.32 -0.93 1.22 -0.06 0.04 0.00 0.00 177.00 177.58 1xm0 s PHE 29 N -2.92 -0.03 0.00 0.56 0.08 -1.26 -5.04 117.98 109.37 1xm0 s PHE 29 Ca 0.59 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1xm0 s PHE 29 Cb -0.14 0.58 0.00 0.00 -0.57 0.00 0.00 43.02 42.89 1xm0 s PHE 29 CO 0.50 -0.41 0.00 1.04 -0.10 0.00 0.00 175.22 176.25 1xm0 n GLN 30 N -0.60 0.00 -2.73 0.44 1.13 -1.26 -3.63 117.38 110.73 1xm0 n GLN 30 Ca -0.05 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.99 1xm0 n GLN 30 Cb 0.61 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.98 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xm0 s ASN 31 N -3.09 -0.44 0.21 1.08 4.22 -1.26 -4.99 114.94 110.67 1xm0 s ASN 31 Ca 0.00 -0.42 -0.08 0.00 -2.14 0.00 0.00 52.86 50.22 1xm0 s ASN 31 Cb 0.00 0.57 0.16 0.00 1.28 0.00 0.00 41.25 43.26 1xm0 s ASN 31 CO 0.00 -0.03 1.79 -0.33 -2.04 0.00 0.00 177.10 176.49 1xm0 h GLU 32 N 4.76 1.17 0.00 3.55 3.07 -1.84 -2.32 114.58 122.97 1xm0 h GLU 32 Ca -0.01 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1xm0 h GLU 32 Cb 1.18 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1xm0 h GLU 32 CO -0.08 0.93 -0.31 0.66 -1.40 0.00 0.00 179.01 178.81 1xm0 n TYR 33 N -4.31 0.44 -1.06 4.33 4.01 -1.26 -0.80 117.16 118.50 1xm0 n TYR 33 Ca 0.07 0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.90 1xm0 n TYR 33 Cb 0.16 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.55 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1xm0 n TRP 34 N -1.91 -0.02 -2.20 -0.72 -0.00 -0.87 -2.90 117.44 108.81 1xm0 n TRP 34 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.50 1xm0 n TRP 34 Cb 0.40 -2.18 -0.01 0.00 -0.00 0.00 0.00 31.31 29.52 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1xm0 n ASP 35 N -0.80 -1.92 -0.24 5.87 5.68 -1.26 -4.79 116.55 119.08 1xm0 n ASP 35 Ca -0.04 0.33 -0.11 0.00 -0.50 0.00 0.00 54.79 54.47 1xm0 n ASP 35 Cb 0.50 -1.80 -0.07 0.00 -1.14 0.00 0.00 41.12 38.61 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1xm0 h HIS 36 N 0.00 -1.59 -5.36 2.11 2.07 -1.96 -3.47 115.15 106.94 1xm0 h HIS 36 Ca -0.11 0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1xm0 h HIS 36 Cb 0.92 0.78 -0.02 0.00 2.57 0.00 0.00 27.41 31.66 1xm0 h HIS 36 CO 0.68 -0.44 -1.06 1.63 -3.07 0.00 0.00 177.93 175.67 1xm0 n LYS 37 N -5.36 -3.09 0.00 5.12 5.02 -1.26 -5.06 118.16 113.53 1xm0 n LYS 37 Ca 0.00 2.53 0.00 0.00 -2.02 0.00 0.00 58.31 58.82 1xm0 n LYS 37 Cb 0.33 -4.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 1xm0 n LYS 37 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xm0 n GLU 38 N 1.05 0.00 -1.50 1.97 1.02 -1.26 -5.09 120.64 116.84 1xm0 n GLU 38 Ca -0.07 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.60 1xm0 n GLU 38 Cb 0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.55 1xm0 n GLU 38 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xm0 n GLU 39 N -0.97 1.22 0.00 3.49 1.02 -1.26 -4.65 120.64 119.49 1xm0 n GLU 39 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1xm0 n GLU 39 Cb 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1xm0 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm0 n GLY 40 N 6.31 1.03 3.43 0.62 0.00 -1.26 0.12 105.19 115.43 1xm0 n GLY 40 Ca 0.39 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1xm0 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xm0 s LEU 41 N 0.00 2.58 0.13 0.99 2.34 0.20 0.26 118.68 125.18 1xm0 s LEU 41 Ca 0.00 -1.07 -0.20 0.00 0.06 0.00 0.00 54.13 52.92 1xm0 s LEU 41 Cb 0.00 -0.88 -0.07 0.00 -0.56 0.00 0.00 46.19 44.68 1xm0 s LEU 41 CO 0.00 -0.12 0.64 -0.31 -1.06 0.00 0.00 176.35 175.51 1xm0 s TYR 42 N -2.75 3.77 -0.18 3.48 1.51 0.98 -0.49 117.35 123.68 1xm0 s TYR 42 Ca 0.28 1.35 -0.08 0.00 -1.01 0.00 0.00 57.07 57.61 1xm0 s TYR 42 Cb -0.01 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 1xm0 s TYR 42 CO 0.12 0.50 0.07 0.08 -1.11 0.00 0.00 175.55 175.21 1xm0 s VAL 43 N -1.25 4.84 -0.10 0.71 1.01 0.86 -1.14 120.40 125.34 1xm0 s VAL 43 Ca 0.34 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1xm0 s VAL 43 Cb -0.19 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1xm0 s VAL 43 CO 0.21 0.46 1.48 -0.62 0.00 0.00 0.00 175.10 176.63 1xm0 s ASP 44 N 0.33 6.79 0.00 3.32 2.15 1.46 -1.90 116.67 128.81 1xm0 s ASP 44 Ca 0.04 2.00 0.00 0.00 0.43 0.00 0.00 52.55 55.02 1xm0 s ASP 44 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1xm0 s ASP 44 CO -0.00 -0.85 0.00 -0.38 -0.17 0.00 0.00 175.17 173.77 1xm0 n ILE 45 N 5.39 0.00 0.00 4.11 2.08 -0.67 -3.69 119.36 126.58 1xm0 n ILE 45 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1xm0 n ILE 45 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1xm0 n VAL 46 N 0.00 0.00 -1.91 1.39 0.31 -1.26 -4.58 118.33 112.27 1xm0 n VAL 46 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1xm0 n VAL 46 Cb 0.00 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 1.99 -0.40 0.00 4.52 7.64 -1.24 -2.52 113.62 123.61 1xm0 n SER 47 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1xm0 n SER 47 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.31 2.58 3.51 0.23 0.00 -1.26 -5.07 105.19 104.88 1xm0 n GLY 48 Ca -0.02 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xm0 n LYS 49 N 0.00 0.28 0.00 1.61 4.81 -1.05 -4.56 118.16 119.26 1xm0 n LYS 49 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1xm0 n LYS 49 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1xm0 n LYS 49 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xm0 n PRO 50 N 8.49 0.52 0.00 1.64 -0.04 -1.26 0.43 135.00 144.78 1xm0 n PRO 50 Ca 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1xm0 n PRO 50 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -3.72 1.53 7.94 -0.29 -2.70 117.00 119.76 1xm0 n LEU 51 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1xm0 n LEU 51 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1xm0 n LEU 51 CO 0.00 0.00 0.11 -0.36 -1.11 0.00 0.00 177.39 176.03 1xm0 s PHE 52 N 0.00 -0.38 0.53 1.96 0.08 -1.06 -4.95 117.98 114.16 1xm0 s PHE 52 Ca 0.00 0.81 0.02 0.00 0.12 0.00 0.00 56.93 57.88 1xm0 s PHE 52 Cb 0.00 0.16 0.01 0.00 -0.57 0.00 0.00 43.02 42.62 1xm0 s PHE 52 CO 0.00 -0.33 0.15 0.99 -0.10 0.00 0.00 175.22 175.93 1xm0 s THR 53 N -0.51 1.26 0.57 0.64 2.01 -1.26 0.33 115.64 118.67 1xm0 s THR 53 Ca -0.06 -1.82 0.27 0.00 0.31 0.00 0.00 61.69 60.39 1xm0 s THR 53 Cb -0.04 -2.08 0.38 0.00 0.01 0.00 0.00 72.50 70.78 1xm0 s THR 53 CO 0.03 0.00 2.00 -1.28 -0.69 0.00 0.00 174.62 174.68 1xm0 h SER 54 N 1.10 0.00 0.05 3.53 0.87 0.33 3.16 113.55 122.59 1xm0 h SER 54 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1xm0 h SER 54 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1xm0 h SER 54 CO 0.68 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 179.27 1xm0 n LYS 55 N -4.00 0.06 0.00 2.24 2.85 -1.26 -3.23 118.16 114.82 1xm0 n LYS 55 Ca 0.07 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 1xm0 n LYS 55 Cb 0.53 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1xm0 n LYS 55 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1xm0 n ASP 56 N -1.22 0.00 -0.20 -5.58 9.92 1.05 -4.23 116.55 116.29 1xm0 n ASP 56 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1xm0 n ASP 56 Cb 0.02 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1xm0 n ASP 56 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xm0 n LYS 57 N -1.89 0.00 -2.27 -1.24 5.02 -1.15 -3.69 118.16 112.93 1xm0 n LYS 57 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1xm0 n LYS 57 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1xm0 n LYS 57 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1xm0 n PHE 58 N -0.40 2.47 -1.66 2.13 -1.74 -1.26 -2.61 117.46 114.39 1xm0 n PHE 58 Ca 0.00 -2.35 -0.42 0.00 -0.56 0.00 0.00 57.45 54.12 1xm0 n PHE 58 Cb 0.00 -0.29 -0.03 0.00 1.52 0.00 0.00 39.48 40.69 1xm0 n PHE 58 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 1xm0 s ASP 59 N -3.61 5.33 0.01 5.98 1.47 -1.26 -4.85 116.67 119.74 1xm0 s ASP 59 Ca 0.45 1.64 -0.01 0.00 1.18 0.00 0.00 52.55 55.81 1xm0 s ASP 59 Cb 0.39 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 40.46 1xm0 s ASP 59 CO -0.01 -2.10 0.03 -0.24 0.68 0.00 0.00 175.17 173.54 1xm0 n SER 60 N 12.26 -0.07 0.00 2.11 2.88 -1.26 -4.94 113.62 124.60 1xm0 n SER 60 Ca 0.30 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 1xm0 n SER 60 Cb 0.47 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1xm0 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xm0 n GLN 61 N -0.02 0.00 0.00 -1.46 3.00 -1.26 -5.08 117.38 112.56 1xm0 n GLN 61 Ca -0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1xm0 n GLN 61 Cb 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 30.24 29.77 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xm0 h GLY 63 N 0.00 0.00 -7.53 0.00 0.00 -2.05 -3.31 103.07 90.17 1xm0 h GLY 63 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1xm0 h GLY 63 CO 0.00 0.00 -0.36 -0.98 0.00 0.00 0.00 176.54 175.20 1xm0 s TRP 64 N -4.59 3.47 -0.01 5.60 0.51 -1.26 -5.07 118.94 117.60 1xm0 s TRP 64 Ca -0.04 -2.52 -0.30 0.00 -2.12 0.00 0.00 56.10 51.12 1xm0 s TRP 64 Cb 0.15 -3.29 -0.06 0.00 -0.81 0.00 0.00 33.47 29.46 1xm0 s TRP 64 CO 0.53 -0.89 1.54 -1.25 -0.51 0.00 0.00 176.95 176.37 1xm0 s PRO 65 N 0.30 4.23 -0.15 4.98 0.04 -1.25 -4.57 135.00 138.58 1xm0 s PRO 65 Ca 0.14 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.24 1xm0 s PRO 65 Cb -0.20 -3.72 0.07 0.00 0.04 0.00 0.00 34.50 30.69 1xm0 s PRO 65 CO -0.04 -0.71 0.32 -1.54 0.04 0.00 0.00 177.00 175.08 1xm0 s SER 66 N 2.48 0.03 0.03 6.66 1.04 -1.26 -4.83 113.70 117.85 1xm0 s SER 66 Ca 0.69 0.74 0.09 0.00 0.48 0.00 0.00 55.95 57.95 1xm0 s SER 66 Cb -0.34 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1xm0 s SER 66 CO 0.28 -0.23 -0.26 0.12 0.98 0.00 0.00 173.24 174.14 1xm0 s PHE 67 N 2.31 2.33 0.00 5.02 2.19 -0.60 -4.39 117.98 124.85 1xm0 s PHE 67 Ca -0.01 -0.42 0.00 0.00 0.33 0.00 0.00 56.93 56.83 1xm0 s PHE 67 Cb -0.12 -1.42 0.00 0.00 -1.31 0.00 0.00 43.02 40.17 1xm0 s PHE 67 CO -0.10 0.09 0.00 2.41 1.83 0.00 0.00 175.22 179.45 1xm0 n THR 68 N 1.94 0.00 0.00 0.12 -1.04 -1.07 0.50 114.28 114.72 1xm0 n THR 68 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1xm0 n THR 68 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xm0 n LYS 69 N 0.00 0.00 0.00 -2.82 5.02 0.92 -4.47 118.16 116.80 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 -1.05 1.97 -0.04 -1.26 -2.44 135.00 132.19 1xm0 n PRO 70 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1xm0 n PRO 70 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1xm0 n PRO 70 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xm0 n ILE 71 N 0.00 0.00 -3.65 0.52 -5.35 -1.26 -4.73 119.36 104.89 1xm0 n ILE 71 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 1xm0 n ILE 71 Cb 0.00 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 37.61 1xm0 n ILE 71 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1xm0 s GLU 72 N 1.44 0.61 0.00 6.28 4.04 -1.26 -5.00 118.70 124.80 1xm0 s GLU 72 Ca 0.63 1.36 0.00 0.00 0.04 0.00 0.00 54.97 57.00 1xm0 s GLU 72 Cb -0.90 0.62 0.00 0.00 0.02 0.00 0.00 34.13 33.88 1xm0 s GLU 72 CO 0.47 -0.19 0.00 -1.91 -1.84 0.00 0.00 175.26 171.80 1xm0 n GLU 73 N 5.09 0.00 -0.20 -4.83 4.07 -1.26 -5.00 120.64 118.51 1xm0 n GLU 73 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1xm0 n GLU 73 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 1xm0 n GLU 73 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1xm0 n GLU 74 N 0.00 0.46 -3.92 5.31 2.13 -1.26 -4.73 120.64 118.63 1xm0 n GLU 74 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1xm0 n GLU 74 Cb 0.00 -1.27 -0.14 0.00 0.27 0.00 0.00 31.44 30.30 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1xm0 s VAL 75 N 1.02 0.07 0.21 6.31 1.01 -1.26 -2.46 120.40 125.30 1xm0 s VAL 75 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1xm0 s VAL 75 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1xm0 s VAL 75 CO 0.00 0.03 0.11 -1.61 0.00 0.00 0.00 175.10 173.62 1xm0 s GLU 76 N 0.07 2.71 0.06 2.72 0.41 0.29 -4.90 118.70 120.06 1xm0 s GLU 76 Ca -0.00 -1.07 -0.09 0.00 -0.41 0.00 0.00 54.97 53.40 1xm0 s GLU 76 Cb -0.01 -2.48 -0.05 0.00 -1.78 0.00 0.00 34.13 29.80 1xm0 s GLU 76 CO -0.00 0.43 0.37 -1.83 -0.49 0.00 0.00 175.26 173.73 1xm0 s GLU 77 N -3.41 3.71 0.13 1.61 -1.05 -1.26 -0.95 118.70 117.48 1xm0 s GLU 77 Ca 0.31 0.10 0.11 0.00 -0.15 0.00 0.00 54.97 55.34 1xm0 s GLU 77 Cb -0.09 -3.01 -0.04 0.00 -0.44 0.00 0.00 34.13 30.55 1xm0 s GLU 77 CO 0.22 0.58 -0.27 0.15 0.95 0.00 0.00 175.26 176.89 1xm0 s LYS 78 N -1.90 1.42 -0.18 -4.83 -0.14 0.86 -4.88 119.74 110.09 1xm0 s LYS 78 Ca 0.32 -1.34 -0.17 0.00 -1.36 0.00 0.00 55.97 53.42 1xm0 s LYS 78 Cb -0.14 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1xm0 s LYS 78 CO 0.18 0.45 0.43 -1.17 -0.76 0.00 0.00 175.35 174.49 1xm0 s LEU 79 N -2.04 4.18 -0.22 3.17 0.20 -1.26 -2.85 118.68 119.87 1xm0 s LEU 79 Ca 0.14 0.61 -0.13 0.00 0.69 0.00 0.00 54.13 55.44 1xm0 s LEU 79 Cb -0.10 -2.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1xm0 s LEU 79 CO 0.06 -0.07 0.27 1.51 -0.29 0.00 0.00 176.35 177.83 1xm0 s ASP 80 N 0.94 6.28 0.69 3.68 -4.77 -1.26 -4.98 116.67 117.26 1xm0 s ASP 80 Ca 0.21 0.32 0.00 0.00 -3.30 0.00 0.00 52.55 49.79 1xm0 s ASP 80 Cb -0.15 -2.17 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1xm0 s ASP 80 CO 0.08 0.01 0.00 0.35 0.70 0.00 0.00 175.17 176.31 1xm0 n THR 81 N 4.23 0.00 -0.07 2.11 -2.24 -1.26 -4.85 114.28 112.19 1xm0 n THR 81 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1xm0 n THR 81 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xm0 n SER 82 N -2.08 -0.19 0.00 3.42 7.64 -1.26 -4.84 113.62 116.31 1xm0 n SER 82 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1xm0 n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1xm0 n HIS 83 N -0.89 0.00 0.00 1.43 -0.00 -1.26 -4.82 115.22 109.68 1xm0 n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xm0 n HIS 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xm0 n GLY 84 N 0.00 0.27 3.07 1.57 0.00 -1.26 -5.15 105.19 103.69 1xm0 n GLY 84 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1xm0 n GLY 84 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xm0 s MET 85 N 0.00 0.59 -0.18 1.61 0.00 -1.26 -5.14 119.30 114.91 1xm0 s MET 85 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 55.69 55.00 1xm0 s MET 85 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 34.83 34.40 1xm0 s MET 85 CO 0.00 0.09 -0.17 -1.50 0.00 0.00 0.00 175.02 173.45 1xm0 s ILE 86 N -1.12 2.35 0.15 3.16 -1.16 -1.26 -4.87 121.20 118.45 1xm0 s ILE 86 Ca -0.06 -0.85 -0.04 0.00 -0.51 0.00 0.00 60.65 59.19 1xm0 s ILE 86 Cb -0.09 -2.00 -0.03 0.00 0.61 0.00 0.00 42.46 40.95 1xm0 s ILE 86 CO 0.01 0.52 0.15 -0.13 -2.81 0.00 0.00 174.94 172.67 1xm0 s ARG 87 N 1.26 1.03 -0.46 3.50 1.81 -1.26 -5.09 118.95 119.74 1xm0 s ARG 87 Ca 0.04 -1.34 -0.26 0.00 -1.72 0.00 0.00 55.73 52.45 1xm0 s ARG 87 Cb -0.14 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 1xm0 s ARG 87 CO -0.09 -0.33 0.97 0.95 -0.68 0.00 0.00 175.30 176.12 1xm0 s THR 88 N -4.02 4.42 0.19 0.02 -4.23 -1.26 -4.19 115.64 106.57 1xm0 s THR 88 Ca 0.22 0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 61.32 1xm0 s THR 88 Cb 0.06 -4.47 -0.08 0.00 1.34 0.00 0.00 72.50 69.34 1xm0 s THR 88 CO 0.01 -0.86 0.87 -1.61 -0.54 0.00 0.00 174.62 172.49 1xm0 s GLU 89 N 3.90 4.72 -0.25 3.99 2.02 -1.13 -2.51 118.70 129.44 1xm0 s GLU 89 Ca 0.40 1.34 -0.08 0.00 0.02 0.00 0.00 54.97 56.65 1xm0 s GLU 89 Cb -0.09 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1xm0 s GLU 89 CO 0.27 0.51 0.08 0.08 0.02 0.00 0.00 175.26 176.23 1xm0 s VAL 90 N -1.05 4.45 -0.05 2.63 1.01 0.93 -0.10 120.40 128.22 1xm0 s VAL 90 Ca 0.39 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1xm0 s VAL 90 Cb -0.24 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1xm0 s VAL 90 CO 0.29 0.34 -0.13 0.00 0.00 0.00 0.00 175.10 175.60 1xm0 s ARG 91 N 1.52 2.53 0.28 2.72 1.70 -0.12 0.29 118.95 127.87 1xm0 s ARG 91 Ca 0.06 -0.68 0.01 0.00 -0.47 0.00 0.00 55.73 54.65 1xm0 s ARG 91 Cb -0.15 -2.41 -0.04 0.00 -0.57 0.00 0.00 34.95 31.78 1xm0 s ARG 91 CO 0.04 0.63 0.47 0.45 -1.08 0.00 0.00 175.30 175.81 1xm0 s SER 92 N -0.81 6.33 0.00 -2.89 0.15 0.09 0.11 113.70 116.68 1xm0 s SER 92 Ca 0.12 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1xm0 s SER 92 Cb -0.11 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1xm0 s SER 92 CO 0.01 -0.18 0.00 -1.14 1.20 0.00 0.00 173.24 173.14 1xm0 n ARG 93 N -1.38 0.00 0.00 5.44 0.63 -1.03 -0.14 116.66 120.19 1xm0 n ARG 93 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1xm0 n ARG 93 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1xm0 n ARG 93 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1xm0 n THR 94 N 0.00 0.00 0.00 5.15 -2.24 -1.26 -4.83 114.28 111.10 1xm0 n THR 94 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xm0 n THR 94 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xm0 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xm0 n ALA 95 N 0.00 0.00 -2.51 6.98 0.00 0.80 -5.00 120.51 120.79 1xm0 n ALA 95 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1xm0 n ALA 95 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.61 0.00 0.00 2.03 -1.26 -0.73 116.55 113.99 1xm0 n ASP 96 Ca 0.00 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1xm0 n ASP 96 Cb 0.00 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xm0 n SER 97 N 0.77 0.00 -3.86 1.67 3.41 -1.26 -4.81 113.62 109.54 1xm0 n SER 97 Ca -0.02 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 58.05 1xm0 n SER 97 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1xm0 n SER 97 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xm0 n HIS 98 N 0.00 1.05 -0.40 7.33 8.25 -1.26 -4.63 115.22 125.56 1xm0 n HIS 98 Ca 0.00 0.70 0.04 0.00 -0.26 0.00 0.00 57.72 58.20 1xm0 n HIS 98 Cb 0.00 -2.08 0.09 0.00 1.12 0.00 0.00 29.99 29.12 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 6.82 2.43 -2.29 2.41 7.99 0.15 -1.38 117.00 133.12 1xm0 n LEU 99 Ca 0.50 -2.37 -0.21 0.00 -0.01 0.00 0.00 56.01 53.92 1xm0 n LEU 99 Cb -0.04 -0.20 0.02 0.00 -0.11 0.00 0.00 43.42 43.09 1xm0 n LEU 99 CO 0.80 0.61 -0.87 0.61 -1.51 0.00 0.00 177.39 177.03 1xm0 n GLY 100 N -0.56 -2.46 3.36 -0.72 0.00 -0.40 -2.74 105.19 101.66 1xm0 n GLY 100 Ca 0.08 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.14 2.89 0.04 1.61 0.09 -1.08 0.31 115.29 118.01 1xm0 s HIS 101 Ca 0.22 -0.72 0.09 0.00 -0.00 0.00 0.00 55.06 54.65 1xm0 s HIS 101 Cb -0.07 -1.95 -0.03 0.00 -0.00 0.00 0.00 32.58 30.54 1xm0 s HIS 101 CO 0.45 -0.32 -0.24 0.54 -0.00 0.00 0.00 174.74 175.17 1xm0 s VAL 102 N 0.75 2.30 -0.13 -0.90 0.11 -1.04 0.17 120.40 121.65 1xm0 s VAL 102 Ca -0.04 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 57.72 1xm0 s VAL 102 Cb -0.15 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 1xm0 s VAL 102 CO 0.02 0.37 -0.21 0.12 -3.33 0.00 0.00 175.10 172.07 1xm0 s PHE 103 N -0.82 2.66 0.26 1.54 5.36 0.32 -4.64 117.98 122.66 1xm0 s PHE 103 Ca 0.12 -1.18 -0.08 0.00 -0.96 0.00 0.00 56.93 54.84 1xm0 s PHE 103 Cb -0.10 -1.80 -0.06 0.00 -0.34 0.00 0.00 43.02 40.72 1xm0 s PHE 103 CO 0.03 -0.51 0.56 -0.80 -1.46 0.00 0.00 175.22 173.03 1xm0 s ASN 104 N 0.65 6.55 -1.93 6.13 -0.87 -1.26 -2.54 114.94 121.66 1xm0 s ASN 104 Ca -0.11 0.85 0.00 0.00 -1.57 0.00 0.00 52.86 52.03 1xm0 s ASN 104 Cb -0.16 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 38.87 1xm0 s ASN 104 CO 0.02 -0.14 0.00 -0.67 -2.57 0.00 0.00 177.10 173.75 1xm0 n ASP 105 N -0.50 -5.51 -4.83 -1.22 -0.08 -1.24 -4.97 116.55 98.20 1xm0 n ASP 105 Ca -0.00 0.25 -0.25 0.00 -1.51 0.00 0.00 54.79 53.28 1xm0 n ASP 105 Cb 0.53 -4.74 0.08 0.00 2.34 0.00 0.00 41.12 39.33 1xm0 n ASP 105 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1xm0 s GLY 106 N -2.38 1.72 0.04 0.27 0.00 -1.25 -5.01 107.32 100.72 1xm0 s GLY 106 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 1xm0 s GLY 106 CO 0.00 -0.66 1.59 2.56 0.00 0.00 0.00 173.10 176.58 1xm0 s PRO 107 N -5.23 4.22 0.00 2.90 0.04 -1.26 -4.48 135.00 131.19 1xm0 s PRO 107 Ca 0.62 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1xm0 s PRO 107 Cb -0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1xm0 s PRO 107 CO 0.45 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.19 1xm0 n GLY 108 N 3.92 2.50 0.61 0.56 0.00 -1.26 -4.82 105.19 106.71 1xm0 n GLY 108 Ca 0.15 -0.15 0.43 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.00 1.61 0.13 -1.93 -1.49 132.00 130.32 1xm0 h PRO 109 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1xm0 h PRO 109 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1xm0 h PRO 109 CO 0.00 0.00 -1.46 -1.71 -0.23 0.00 0.00 178.00 174.60 1xm0 n ASN 110 N -3.93 3.38 0.00 1.44 5.15 -1.13 -5.00 115.26 115.16 1xm0 n ASN 110 Ca 0.33 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1xm0 n ASN 110 Cb 1.62 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 40.98 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 2.95 1.54 3.26 8.20 0.00 -0.56 -5.03 105.19 115.55 1xm0 n GLY 111 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1xm0 n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xm0 s LEU 112 N 0.00 2.66 -0.30 0.99 2.34 -1.02 -3.69 118.68 119.66 1xm0 s LEU 112 Ca 0.00 -0.46 -0.01 0.00 0.06 0.00 0.00 54.13 53.71 1xm0 s LEU 112 Cb 0.00 -1.66 0.06 0.00 -0.56 0.00 0.00 46.19 44.03 1xm0 s LEU 112 CO 0.00 -0.01 0.01 -0.60 -1.06 0.00 0.00 176.35 174.69 1xm0 s ARG 113 N 1.38 2.37 -0.15 1.48 3.52 -1.05 -0.06 118.95 126.43 1xm0 s ARG 113 Ca 0.05 -1.32 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 1xm0 s ARG 113 Cb -0.14 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1xm0 s ARG 113 CO -0.06 -0.65 -0.14 0.71 -0.81 0.00 0.00 175.30 174.35 1xm0 s TYR 114 N 1.23 2.79 -0.38 5.12 1.51 0.18 0.12 117.35 127.92 1xm0 s TYR 114 Ca -0.04 -0.91 -0.16 0.00 -1.01 0.00 0.00 57.07 54.95 1xm0 s TYR 114 Cb -0.20 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 1xm0 s TYR 114 CO -0.02 -0.39 0.41 0.00 -1.11 0.00 0.00 175.55 174.44 1xm0 s ILE 116 N 2.10 2.92 -0.07 0.00 -1.09 -1.26 -2.64 121.20 121.16 1xm0 s ILE 116 Ca 0.12 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 1xm0 s ILE 116 Cb -0.17 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1xm0 s ILE 116 CO 0.13 -0.11 -0.05 0.20 -1.23 0.00 0.00 174.94 173.87 1xm0 s ASN 117 N -2.78 4.79 0.40 3.58 -0.87 -1.26 -4.40 114.94 114.40 1xm0 s ASN 117 Ca 0.24 0.02 0.10 0.00 -1.57 0.00 0.00 52.86 51.64 1xm0 s ASN 117 Cb -0.08 -1.26 0.83 0.00 -0.02 0.00 0.00 41.25 40.72 1xm0 s ASN 117 CO 0.13 0.36 1.94 0.77 -2.57 0.00 0.00 177.10 177.73 1xm0 h SER 118 N 5.26 0.20 0.66 -1.22 4.64 -1.18 -1.12 113.55 120.78 1xm0 h SER 118 Ca -0.49 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1xm0 h SER 118 Cb 1.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xm0 h SER 118 CO 0.53 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 1xm0 n ALA 119 N -2.49 1.61 0.52 5.18 0.00 -1.26 -1.97 120.51 122.10 1xm0 n ALA 119 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1xm0 n ALA 119 Cb 0.25 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.76 3.42 -2.83 0.00 0.00 -0.60 -4.62 120.51 114.12 1xm0 n ALA 120 Ca 0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1xm0 n ALA 120 Cb 0.21 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 1xm0 n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xm0 s LEU 121 N -2.48 2.08 -0.15 0.00 1.02 -0.53 -1.67 118.68 116.95 1xm0 s LEU 121 Ca 0.05 -0.20 -0.06 0.00 0.02 0.00 0.00 54.13 53.94 1xm0 s LEU 121 Cb 0.08 -0.14 -0.04 0.00 0.02 0.00 0.00 46.19 46.12 1xm0 s LEU 121 CO 0.45 -0.04 0.04 -0.13 0.02 0.00 0.00 176.35 176.69 1xm0 s ARG 122 N -0.51 3.70 0.02 1.70 1.81 -0.80 -4.52 118.95 120.35 1xm0 s ARG 122 Ca -0.03 -0.36 -0.17 0.00 -1.72 0.00 0.00 55.73 53.45 1xm0 s ARG 122 Cb -0.04 -3.09 -0.06 0.00 -0.45 0.00 0.00 34.95 31.32 1xm0 s ARG 122 CO -0.00 0.40 0.47 -0.59 -0.68 0.00 0.00 175.30 174.89 1xm0 s PHE 123 N 0.00 3.75 -0.03 -0.53 -0.12 -1.25 0.30 117.98 120.11 1xm0 s PHE 123 Ca 0.05 1.10 -0.01 0.00 -0.05 0.00 0.00 56.93 58.02 1xm0 s PHE 123 Cb -0.12 -2.38 0.03 0.00 -0.63 0.00 0.00 43.02 39.92 1xm0 s PHE 123 CO 0.01 0.61 0.03 0.08 -0.05 0.00 0.00 175.22 175.91 1xm0 s VAL 124 N -1.04 -0.05 0.44 -2.49 1.01 0.36 -4.95 120.40 113.69 1xm0 s VAL 124 Ca 0.26 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 1xm0 s VAL 124 Cb -0.18 -0.12 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1xm0 s VAL 124 CO 0.15 0.12 1.25 -2.16 0.00 0.00 0.00 175.10 174.47 1xm0 s PRO 125 N 1.38 3.81 0.56 2.72 0.04 -1.26 0.59 135.00 142.83 1xm0 s PRO 125 Ca -0.05 2.01 0.35 0.00 0.04 0.00 0.00 61.00 63.35 1xm0 s PRO 125 Cb -0.13 -2.58 1.88 0.00 0.04 0.00 0.00 34.50 33.71 1xm0 s PRO 125 CO -0.03 -0.58 2.05 1.57 0.04 0.00 0.00 177.00 180.05 1xm0 h LYS 126 N 2.33 0.00 0.00 4.56 2.10 0.61 0.95 116.57 127.12 1xm0 h LYS 126 Ca -0.50 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.03 1xm0 h LYS 126 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1xm0 h LYS 126 CO 0.61 0.00 -1.30 1.58 -2.00 0.00 0.00 179.45 178.34 1xm0 n HIS 127 N -2.77 1.00 0.05 0.07 -0.00 -1.26 -4.08 115.22 108.22 1xm0 n HIS 127 Ca -0.02 0.32 0.07 0.00 0.46 0.00 0.00 57.72 58.55 1xm0 n HIS 127 Cb 0.13 -1.06 -0.11 0.00 -0.12 0.00 0.00 29.99 28.82 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 -2.84 0.61 0.00 1.57 4.81 -0.33 -4.46 118.16 117.52 1xm0 n LYS 128 Ca -0.07 -0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.12 1xm0 n LYS 128 Cb 0.77 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.38 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1xm0 h LEU 129 N 0.00 -0.03 -1.99 3.14 8.10 0.70 -2.39 115.31 122.83 1xm0 h LEU 129 Ca 0.00 -0.47 0.08 0.00 0.11 0.00 0.00 57.88 57.60 1xm0 h LEU 129 Cb 0.65 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 1xm0 h LEU 129 CO 0.00 0.46 0.20 0.50 -4.11 0.00 0.00 178.44 175.49 1xm0 h LYS 130 N -0.53 0.01 0.00 0.17 3.11 -1.72 3.38 116.57 120.99 1xm0 h LYS 130 Ca -0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1xm0 h LYS 130 Cb 0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1xm0 h LYS 130 CO 0.01 0.01 -0.02 1.05 -2.81 0.00 0.00 179.45 177.68 1xm0 h GLU 131 N 0.01 0.00 0.00 1.90 4.11 -1.77 -3.27 114.58 115.57 1xm0 h GLU 131 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1xm0 h GLU 131 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xm0 h GLU 131 CO -0.00 0.00 -0.90 0.39 0.07 0.00 0.00 179.01 178.56 1xm0 n GLU 132 N -2.77 2.13 0.00 1.06 -0.58 0.26 -5.08 120.64 115.66 1xm0 n GLU 132 Ca 0.05 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1xm0 n GLU 132 Cb 0.49 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 1.45 4.29 0.00 0.62 0.00 1.06 -5.04 105.19 107.57 1xm0 n GLY 133 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.47 0.00 -0.23 1.61 9.36 -1.26 -4.14 117.16 122.03 1xm0 n TYR 134 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 1xm0 n TYR 134 Cb 0.00 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.08 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 0.77 0.69 -0.26 2.98 4.22 -1.82 -1.22 114.58 119.94 1xm0 h GLU 135 Ca 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 1xm0 h GLU 135 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1xm0 h GLU 135 CO 0.00 0.46 -0.10 1.03 -2.18 0.00 0.00 179.01 178.22 1xm0 h SER 136 N 0.71 0.41 0.37 1.04 0.87 -1.94 -2.68 113.55 112.33 1xm0 h SER 136 Ca 0.39 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1xm0 h SER 136 Cb 0.54 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1xm0 h SER 136 CO -0.16 0.55 -0.44 1.88 -0.53 0.00 0.00 176.83 178.13 1xm0 h TYR 137 N 0.40 0.11 -0.19 2.24 -1.99 -1.64 -2.75 116.97 113.15 1xm0 h TYR 137 Ca 0.08 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.84 1xm0 h TYR 137 Cb 0.42 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1xm0 h TYR 137 CO 0.01 0.52 0.30 -0.07 -0.00 0.00 0.00 178.16 178.93 1xm0 h LEU 138 N 0.08 0.00 -0.34 3.88 -0.00 -1.40 0.61 115.31 118.14 1xm0 h LEU 138 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.71 1xm0 h LEU 138 Cb 0.81 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1xm0 h LEU 138 CO 0.06 0.00 -0.83 -0.74 -0.00 0.00 0.00 178.44 176.93 1xm0 h HIS 139 N 0.00 0.06 -0.97 1.13 2.76 -1.62 -3.22 115.15 113.29 1xm0 h HIS 139 Ca 0.09 -0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.45 1xm0 h HIS 139 Cb 0.70 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.57 1xm0 h HIS 139 CO 0.00 0.85 0.63 1.37 -1.30 0.00 0.00 177.93 179.48 1xm0 h LEU 140 N 0.02 0.46 -8.94 0.26 8.10 0.13 -3.37 115.31 111.98 1xm0 h LEU 140 Ca -0.02 0.06 -0.60 0.00 0.11 0.00 0.00 57.88 57.44 1xm0 h LEU 140 Cb 1.47 -0.02 -0.09 0.00 -0.44 0.00 0.00 40.66 41.57 1xm0 h LEU 140 CO 0.11 0.15 0.49 0.12 -4.11 0.00 0.00 178.44 175.20 1xm0 s PHE 141 N -5.49 3.21 -0.19 0.17 5.36 -1.22 -4.83 117.98 114.99 1xm0 s PHE 141 Ca -0.09 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 56.88 1xm0 s PHE 141 Cb 0.24 -3.28 0.23 0.00 -0.34 0.00 0.00 43.02 39.87 1xm0 s PHE 141 CO 0.79 -0.58 1.24 0.27 -1.46 0.00 0.00 175.22 175.48 1xm0 n ASN 142 N 6.29 -1.17 0.00 6.13 0.23 -1.26 -4.95 115.26 120.54 1xm0 n ASN 142 Ca 0.05 -1.99 0.14 0.00 -0.53 0.00 0.00 54.58 52.26 1xm0 n ASN 142 Cb 0.48 0.49 0.84 0.00 -2.08 0.00 0.00 39.78 39.51 1xm0 n ASN 142 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1xm0 n LYS 143 N -0.87 0.96 -3.55 -3.83 4.81 -1.26 -4.73 118.16 109.69 1xm0 n LYS 143 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.23 1xm0 n LYS 143 Cb 0.77 -1.46 -0.05 0.00 0.02 0.00 0.00 35.03 34.31 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1xm0 s LEU 144 N -1.92 -0.69 -0.09 3.14 0.05 -1.26 -5.04 118.68 112.87 1xm0 s LEU 144 Ca 0.43 1.01 0.19 0.00 0.05 0.00 0.00 54.13 55.81 1xm0 s LEU 144 Cb 0.19 1.88 0.41 0.00 -2.05 0.00 0.00 46.19 46.63 1xm0 s LEU 144 CO 0.33 -0.15 1.19 1.21 -0.55 0.00 0.00 176.35 178.37 1xm0 n GLU 145 N 4.55 0.68 -3.81 1.48 2.13 -1.26 -5.02 120.64 119.38 1xm0 n GLU 145 Ca -0.14 -2.53 -0.26 0.00 0.66 0.00 0.00 57.16 54.90 1xm0 n GLU 145 Cb 0.54 -0.71 -0.17 0.00 0.27 0.00 0.00 31.44 31.38 1xm0 n GLU 145 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1xm0 s HIS 146 N -1.39 1.10 -1.99 4.31 2.46 -1.26 -5.28 115.29 113.25 1xm0 s HIS 146 Ca 0.35 -0.59 0.16 0.00 0.47 0.00 0.00 55.06 55.44 1xm0 s HIS 146 Cb 0.37 -1.03 0.13 0.00 -0.13 0.00 0.00 32.58 31.91 1xm0 s HIS 146 CO -0.12 -0.48 1.00 0.72 -2.47 0.00 0.00 174.74 173.40