#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe3 s MET 1 N 0.00 1.17 0.84 1.57 1.00 -1.26 -4.19 119.30 118.43 1xe3 s MET 1 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 55.69 54.45 1xe3 s MET 1 Cb 0.00 -1.39 0.20 0.00 0.00 0.00 0.00 34.83 33.64 1xe3 s MET 1 CO 0.00 0.33 0.89 -1.13 0.00 0.00 0.00 175.02 175.12 1xe3 n SER 2 N 1.28 -1.03 0.07 3.03 3.41 -1.03 -4.98 113.62 114.38 1xe3 n SER 2 Ca -0.19 -1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 57.21 1xe3 n SER 2 Cb 0.54 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 1xe3 n SER 2 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1xe3 h VAL 3 N -2.07 1.61 -0.22 -3.33 3.04 -1.99 -3.33 116.25 109.97 1xe3 h VAL 3 Ca -0.31 -3.20 0.00 0.00 -1.01 0.00 0.00 66.70 62.18 1xe3 h VAL 3 Cb 0.92 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 1xe3 h VAL 3 CO 0.21 0.90 0.00 1.41 -1.01 0.00 0.00 177.57 179.08 1xe3 n HIS 4 N -3.38 0.28 -4.07 3.17 8.25 -1.26 -4.93 115.22 113.29 1xe3 n HIS 4 Ca 0.00 -0.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.96 1xe3 n HIS 4 Cb 0.89 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.82 1xe3 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xe3 s ILE 5 N -0.98 0.56 -1.55 1.59 1.01 -1.25 -4.72 121.20 115.86 1xe3 s ILE 5 Ca 0.20 -0.09 0.20 0.00 0.00 0.00 0.00 60.65 60.95 1xe3 s ILE 5 Cb 0.11 -0.61 0.67 0.00 0.01 0.00 0.00 42.46 42.64 1xe3 s ILE 5 CO 0.16 0.25 1.57 -1.84 0.00 0.00 0.00 174.94 175.07 1xe3 n GLU 6 N 4.37 3.20 -2.04 2.79 0.28 -1.26 -2.45 120.64 125.52 1xe3 n GLU 6 Ca -0.20 -2.69 -0.38 0.00 -0.16 0.00 0.00 57.16 53.74 1xe3 n GLU 6 Cb 0.51 -1.73 0.01 0.00 1.43 0.00 0.00 31.44 31.65 1xe3 n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xe3 s ALA 7 N -1.48 2.95 0.47 -1.84 0.00 -1.21 -4.94 121.76 115.70 1xe3 s ALA 7 Ca 0.49 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 1xe3 s ALA 7 Cb 0.29 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1xe3 s ALA 7 CO 0.28 -0.97 1.07 0.21 0.00 0.00 0.00 175.76 176.35 1xe3 s LYS 8 N -2.73 3.83 0.19 0.00 2.20 -1.26 -4.45 119.74 117.52 1xe3 s LYS 8 Ca 0.66 1.47 -0.33 0.00 -0.36 0.00 0.00 55.97 57.41 1xe3 s LYS 8 Cb -0.34 -2.22 -0.14 0.00 -1.51 0.00 0.00 37.83 33.61 1xe3 s LYS 8 CO 0.42 -0.42 1.44 1.04 -0.36 0.00 0.00 175.35 177.46 1xe3 n GLN 9 N -0.74 1.88 -0.10 4.03 1.13 -1.26 -2.48 117.38 119.84 1xe3 n GLN 9 Ca 0.08 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 1xe3 n GLN 9 Cb 0.51 -2.35 0.00 0.00 0.11 0.00 0.00 30.24 28.51 1xe3 n GLN 9 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xe3 n GLY 10 N 2.63 1.32 0.20 1.08 0.00 -1.26 -4.92 105.19 104.25 1xe3 n GLY 10 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1xe3 n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xe3 h GLU 11 N 3.23 0.00 -5.12 1.61 5.08 -1.88 -3.44 114.58 114.06 1xe3 h GLU 11 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1xe3 h GLU 11 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 1xe3 h GLU 11 CO 0.00 0.12 -0.61 0.42 -1.00 0.00 0.00 179.01 177.94 1xe3 s ILE 12 N -3.19 4.37 0.84 3.13 1.01 -1.26 -4.65 121.20 121.45 1xe3 s ILE 12 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 1xe3 s ILE 12 Cb 0.06 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.63 1xe3 s ILE 12 CO 0.68 0.41 1.09 0.00 0.00 0.00 0.00 174.94 177.12 1xe3 s ALA 13 N 0.98 1.84 0.14 9.38 0.00 -1.26 -4.91 121.76 127.93 1xe3 s ALA 13 Ca 0.03 0.15 0.30 0.00 0.00 0.00 0.00 51.96 52.45 1xe3 s ALA 13 Cb -0.14 -3.25 1.25 0.00 0.00 0.00 0.00 23.12 20.97 1xe3 s ALA 13 CO 0.03 -2.13 1.95 0.93 0.00 0.00 0.00 175.76 176.53 1xe3 h GLU 14 N -1.39 0.00 -5.73 0.00 5.08 -1.86 -3.42 114.58 107.25 1xe3 h GLU 14 Ca -0.46 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.23 1xe3 h GLU 14 Cb 1.26 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.30 1xe3 h GLU 14 CO 0.52 0.08 -0.69 -1.12 -1.00 0.00 0.00 179.01 176.80 1xe3 s SER 15 N -5.88 4.66 -0.09 1.42 0.01 -1.26 -0.10 113.70 112.46 1xe3 s SER 15 Ca 0.01 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 1xe3 s SER 15 Cb 0.10 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.89 1xe3 s SER 15 CO 0.57 0.27 0.26 -0.51 0.41 0.00 0.00 173.24 174.24 1xe3 s ILE 16 N -0.25 0.01 -0.11 1.44 2.07 -0.70 -0.91 121.20 122.74 1xe3 s ILE 16 Ca 0.04 -0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.13 1xe3 s ILE 16 Cb -0.13 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 1xe3 s ILE 16 CO 0.02 -0.03 0.17 -0.76 -1.91 0.00 0.00 174.94 172.43 1xe3 s LEU 17 N -0.02 4.39 -0.67 8.50 1.43 -0.28 -1.19 118.68 130.83 1xe3 s LEU 17 Ca -0.02 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1xe3 s LEU 17 Cb -0.02 -2.13 0.23 0.00 0.03 0.00 0.00 46.19 44.29 1xe3 s LEU 17 CO 0.01 0.38 0.69 0.18 0.23 0.00 0.00 176.35 177.84 1xe3 n LEU 18 N 2.07 3.63 -4.79 1.79 4.77 0.16 -0.83 117.00 123.79 1xe3 n LEU 18 Ca -0.19 -5.38 -0.34 0.00 -0.03 0.00 0.00 56.01 50.07 1xe3 n LEU 18 Cb 0.54 -0.71 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1xe3 n LEU 18 CO 0.32 1.96 0.74 -2.16 -1.33 0.00 0.00 177.39 176.92 1xe3 s PRO 19 N -2.20 3.43 0.22 3.23 0.04 -1.18 -3.17 135.00 135.37 1xe3 s PRO 19 Ca 0.36 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1xe3 s PRO 19 Cb 0.09 -2.04 0.22 0.00 0.04 0.00 0.00 34.50 32.82 1xe3 s PRO 19 CO -0.05 -0.74 1.63 0.78 0.04 0.00 0.00 177.00 178.65 1xe3 h GLY 20 N 0.96 0.73 -7.02 0.56 0.00 -1.81 -1.08 103.07 95.40 1xe3 h GLY 20 Ca -0.49 -0.65 -0.62 0.00 0.00 0.00 0.00 47.33 45.57 1xe3 h GLY 20 CO 0.57 0.59 -0.21 -0.35 0.00 0.00 0.00 176.54 177.15 1xe3 s ASP 21 N -6.80 6.31 0.49 0.19 -1.08 -1.26 -1.82 116.67 112.71 1xe3 s ASP 21 Ca -0.08 0.36 0.32 0.00 -0.52 0.00 0.00 52.55 52.63 1xe3 s ASP 21 Cb 0.13 -2.22 1.44 0.00 -1.46 0.00 0.00 42.92 40.81 1xe3 s ASP 21 CO 0.83 -0.17 1.97 1.55 0.52 0.00 0.00 175.17 179.87 1xe3 h PRO 22 N 7.95 0.00 0.00 4.34 0.13 -1.87 -1.35 132.00 141.20 1xe3 h PRO 22 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1xe3 h PRO 22 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xe3 h PRO 22 CO 0.67 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.23 1xe3 h LEU 23 N 0.00 0.00 -0.06 1.56 3.38 -1.93 -2.42 115.31 115.84 1xe3 h LEU 23 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1xe3 h LEU 23 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xe3 h LEU 23 CO 0.00 0.14 -1.06 0.03 0.09 0.00 0.00 178.44 177.64 1xe3 h ARG 24 N 0.00 0.28 -0.32 1.13 2.47 -1.68 -1.85 114.38 114.41 1xe3 h ARG 24 Ca -0.00 -0.37 0.06 0.00 -1.26 0.00 0.00 59.98 58.40 1xe3 h ARG 24 Cb 1.06 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 29.45 1xe3 h ARG 24 CO 0.02 1.11 -0.01 0.00 0.56 0.00 0.00 179.97 181.65 1xe3 h ALA 25 N 0.74 0.27 -0.65 0.04 0.00 -1.34 0.06 119.26 118.39 1xe3 h ALA 25 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xe3 h ALA 25 Cb 1.74 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1xe3 h ALA 25 CO 0.17 -0.41 0.38 -0.22 0.00 0.00 0.00 179.25 179.17 1xe3 h LYS 26 N 0.08 0.88 -0.19 0.00 3.64 -1.43 -1.15 116.57 118.41 1xe3 h LYS 26 Ca 0.15 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1xe3 h LYS 26 Cb 0.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1xe3 h LYS 26 CO -0.27 0.64 0.08 -0.92 -2.27 0.00 0.00 179.45 176.71 1xe3 h TYR 27 N 0.88 0.28 -0.14 1.91 3.20 -1.07 -1.29 116.97 120.75 1xe3 h TYR 27 Ca 0.23 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1xe3 h TYR 27 Cb -0.01 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1xe3 h TYR 27 CO -0.01 0.33 -0.11 0.82 -1.64 0.00 0.00 178.16 177.55 1xe3 h ILE 28 N 0.15 0.68 -0.24 1.81 2.04 -0.88 0.11 117.51 121.18 1xe3 h ILE 28 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1xe3 h ILE 28 Cb 0.17 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1xe3 h ILE 28 CO -0.01 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.19 1xe3 h ALA 29 N 0.97 0.24 0.00 1.87 0.00 -1.09 0.98 119.26 122.24 1xe3 h ALA 29 Ca 0.09 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xe3 h ALA 29 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xe3 h ALA 29 CO -0.22 -0.37 -0.49 0.93 0.00 0.00 0.00 179.25 179.11 1xe3 h GLU 30 N 0.14 0.00 0.14 0.00 5.08 -1.10 -1.78 114.58 117.06 1xe3 h GLU 30 Ca 0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.13 1xe3 h GLU 30 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xe3 h GLU 30 CO -0.14 0.49 -1.72 1.15 -1.00 0.00 0.00 179.01 177.78 1xe3 h THR 31 N 0.00 0.94 0.00 1.13 2.02 -0.52 -3.41 112.91 113.07 1xe3 h THR 31 Ca -0.00 -2.59 -0.05 0.00 0.77 0.00 0.00 66.41 64.54 1xe3 h THR 31 Cb 0.96 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1xe3 h THR 31 CO 0.06 0.83 -1.59 0.49 0.37 0.00 0.00 175.52 175.68 1xe3 n PHE 32 N -3.49 0.00 -4.41 3.16 3.72 0.32 -5.05 117.46 111.71 1xe3 n PHE 32 Ca -0.23 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.85 1xe3 n PHE 32 Cb 1.06 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 39.16 1xe3 n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xe3 s LEU 33 N -4.07 3.20 0.18 4.37 1.02 -0.67 -4.78 118.68 117.94 1xe3 s LEU 33 Ca -0.05 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 53.99 1xe3 s LEU 33 Cb 0.06 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1xe3 s LEU 33 CO 0.48 0.27 0.22 -1.61 0.02 0.00 0.00 176.35 175.72 1xe3 s GLU 34 N -1.55 3.14 -1.21 1.70 0.41 -0.28 -4.71 118.70 116.20 1xe3 s GLU 34 Ca 0.18 -0.80 -0.11 0.00 -0.41 0.00 0.00 54.97 53.84 1xe3 s GLU 34 Cb -0.11 -2.77 -0.01 0.00 -1.78 0.00 0.00 34.13 29.46 1xe3 s GLU 34 CO 0.09 0.48 0.73 -0.25 -0.49 0.00 0.00 175.26 175.81 1xe3 n ASP 35 N -0.66 -3.61 -4.84 -0.19 8.00 -1.26 -0.57 116.55 113.42 1xe3 n ASP 35 Ca -0.08 -0.93 -0.36 0.00 0.71 0.00 0.00 54.79 54.13 1xe3 n ASP 35 Cb 0.55 -3.71 -0.06 0.00 -0.02 0.00 0.00 41.12 37.88 1xe3 n ASP 35 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xe3 s VAL 36 N -3.59 4.84 -0.04 2.53 -7.23 -1.26 -4.46 120.40 111.19 1xe3 s VAL 36 Ca 0.28 0.89 0.04 0.00 -1.81 0.00 0.00 61.98 61.38 1xe3 s VAL 36 Cb -0.09 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.09 1xe3 s VAL 36 CO 0.84 0.29 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.86 1xe3 s THR 37 N -1.42 1.37 -0.45 5.32 2.01 -0.05 -5.00 115.64 117.42 1xe3 s THR 37 Ca 0.37 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1xe3 s THR 37 Cb -0.16 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1xe3 s THR 37 CO 0.19 0.39 0.61 0.00 -0.69 0.00 0.00 174.62 175.13 1xe3 n TYR 39 N 6.17 0.00 -3.73 0.00 0.18 0.25 -4.90 117.16 115.13 1xe3 n TYR 39 Ca -0.03 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.63 1xe3 n TYR 39 Cb 0.47 -0.18 -0.12 0.00 -0.38 0.00 0.00 39.34 39.14 1xe3 n TYR 39 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1xe3 s ASN 40 N -2.84 -0.36 0.00 9.48 2.47 -1.17 -3.34 114.94 119.18 1xe3 s ASN 40 Ca 0.15 0.66 0.00 0.00 0.42 0.00 0.00 52.86 54.09 1xe3 s ASN 40 Cb 0.18 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1xe3 s ASN 40 CO 0.66 -0.15 0.47 0.59 -3.72 0.00 0.00 177.10 174.95 1xe3 n ASN 41 N 3.79 0.80 -4.71 -4.21 4.13 -1.26 -2.94 115.26 110.86 1xe3 n ASN 41 Ca -0.21 -1.20 -0.42 0.00 1.68 0.00 0.00 54.58 54.43 1xe3 n ASN 41 Cb 0.55 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.76 1xe3 n ASN 41 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1xe3 s VAL 42 N -0.20 3.20 -0.50 2.41 0.11 -1.26 -1.32 120.40 122.84 1xe3 s VAL 42 Ca 0.00 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 1xe3 s VAL 42 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1xe3 s VAL 42 CO 0.00 0.04 0.00 0.54 -3.33 0.00 0.00 175.10 172.35 1xe3 n ARG 43 N 4.44 -1.04 -1.24 1.54 1.74 -1.26 -2.09 116.66 118.76 1xe3 n ARG 43 Ca 0.13 0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 57.66 1xe3 n ARG 43 Cb 0.41 -4.46 -0.04 0.00 -1.02 0.00 0.00 32.46 27.35 1xe3 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xe3 n GLY 44 N -0.99 0.90 3.43 -0.13 0.00 -0.43 -4.92 105.19 103.05 1xe3 n GLY 44 Ca -0.05 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 1xe3 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xe3 n MET 45 N -1.46 3.41 -1.83 1.61 0.00 -0.89 -4.81 117.12 113.15 1xe3 n MET 45 Ca -0.08 -3.95 -0.41 0.00 0.00 0.00 0.00 57.70 53.26 1xe3 n MET 45 Cb 0.43 -2.95 -0.01 0.00 0.00 0.00 0.00 33.22 30.68 1xe3 n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1xe3 s LEU 46 N 1.03 4.35 0.00 -0.89 1.43 -1.26 -4.60 118.68 118.74 1xe3 s LEU 46 Ca 0.41 2.91 0.01 0.00 -1.03 0.00 0.00 54.13 56.42 1xe3 s LEU 46 Cb -0.04 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1xe3 s LEU 46 CO -0.01 -0.86 -0.03 -0.83 0.23 0.00 0.00 176.35 174.85 1xe3 s GLY 47 N 0.34 0.18 0.04 -3.19 0.00 -1.15 -2.20 107.32 101.33 1xe3 s GLY 47 Ca 0.60 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1xe3 s GLY 47 CO 0.50 -0.20 -0.05 -1.36 0.00 0.00 0.00 173.10 171.99 1xe3 s PHE 48 N -0.26 0.49 -0.02 1.90 0.40 -0.29 -0.58 117.98 119.62 1xe3 s PHE 48 Ca -0.01 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1xe3 s PHE 48 Cb -0.02 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 1xe3 s PHE 48 CO -0.00 -0.19 -0.17 0.99 0.70 0.00 0.00 175.22 176.56 1xe3 s THR 49 N -2.07 1.32 0.07 0.64 2.01 -0.07 -0.76 115.64 116.79 1xe3 s THR 49 Ca -0.08 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 1xe3 s THR 49 Cb -0.05 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1xe3 s THR 49 CO -0.02 0.38 0.12 0.61 -0.69 0.00 0.00 174.62 175.01 1xe3 n GLY 50 N 2.78 2.54 3.14 4.40 0.00 -0.75 -0.87 105.19 116.42 1xe3 n GLY 50 Ca -0.15 -1.30 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 1xe3 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xe3 s THR 51 N -2.62 1.45 -0.11 2.61 -1.32 0.26 -1.70 115.64 114.22 1xe3 s THR 51 Ca 0.05 -0.73 -0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1xe3 s THR 51 Cb -0.00 -1.25 0.02 0.00 -1.51 0.00 0.00 72.50 69.76 1xe3 s THR 51 CO 0.03 0.42 -0.07 -0.47 -2.21 0.00 0.00 174.62 172.32 1xe3 s TYR 52 N 0.06 1.41 -1.41 9.09 5.04 0.68 -1.12 117.35 131.10 1xe3 s TYR 52 Ca -0.04 -0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 53.89 1xe3 s TYR 52 Cb -0.12 -1.18 0.02 0.00 0.35 0.00 0.00 41.96 41.03 1xe3 s TYR 52 CO 0.02 -0.48 0.56 1.63 -1.34 0.00 0.00 175.55 175.94 1xe3 n LYS 53 N 4.87 -3.89 -0.92 4.97 5.02 -1.26 -1.05 118.16 125.89 1xe3 n LYS 53 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1xe3 n LYS 53 Cb 0.50 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1xe3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xe3 n GLY 54 N -1.81 0.31 3.42 0.72 0.00 -1.26 -5.00 105.19 101.57 1xe3 n GLY 54 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1xe3 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe3 s LYS 55 N -0.89 2.45 0.12 1.61 -0.14 -0.21 -5.10 119.74 117.57 1xe3 s LYS 55 Ca 0.00 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 1xe3 s LYS 55 Cb 0.00 -2.30 -0.06 0.00 -1.68 0.00 0.00 37.83 33.79 1xe3 s LYS 55 CO 0.00 0.58 1.08 1.03 -0.76 0.00 0.00 175.35 177.28 1xe3 s ARG 56 N -0.63 4.57 0.01 1.68 1.81 -1.26 -0.23 118.95 124.90 1xe3 s ARG 56 Ca 0.09 1.64 -0.08 0.00 -1.72 0.00 0.00 55.73 55.66 1xe3 s ARG 56 Cb -0.11 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 1xe3 s ARG 56 CO 0.00 0.01 0.15 0.54 -0.68 0.00 0.00 175.30 175.33 1xe3 s VAL 57 N 0.26 0.09 0.34 3.52 0.11 -0.69 -4.75 120.40 119.29 1xe3 s VAL 57 Ca 0.51 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1xe3 s VAL 57 Cb -0.27 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1xe3 s VAL 57 CO 0.32 -0.39 0.11 -0.44 -3.33 0.00 0.00 175.10 171.36 1xe3 s SER 58 N -1.48 4.51 -0.09 3.54 0.01 -0.09 -1.81 113.70 118.30 1xe3 s SER 58 Ca -0.14 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.23 1xe3 s SER 58 Cb -0.07 -0.65 0.05 0.00 0.21 0.00 0.00 66.02 65.56 1xe3 s SER 58 CO 0.01 -0.30 0.17 -0.69 0.41 0.00 0.00 173.24 172.84 1xe3 s VAL 59 N -2.47 -0.24 -0.09 3.43 1.01 0.06 -1.13 120.40 120.97 1xe3 s VAL 59 Ca 0.37 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 1xe3 s VAL 59 Cb -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1xe3 s VAL 59 CO 0.22 0.14 -0.05 -1.58 0.00 0.00 0.00 175.10 173.82 1xe3 s GLN 60 N 2.14 1.23 0.36 2.72 2.00 -0.01 -1.13 119.66 126.97 1xe3 s GLN 60 Ca 0.01 -0.15 -0.28 0.00 -2.00 0.00 0.00 55.36 52.94 1xe3 s GLN 60 Cb -0.12 -1.35 -0.11 0.00 0.80 0.00 0.00 33.01 32.23 1xe3 s GLN 60 CO -0.06 -0.25 1.44 0.20 -0.50 0.00 0.00 175.29 176.12 1xe3 s GLY 61 N 1.66 2.94 -0.00 2.59 0.00 -0.94 -3.12 107.32 110.46 1xe3 s GLY 61 Ca 0.03 1.48 0.06 0.00 0.00 0.00 0.00 44.72 46.29 1xe3 s GLY 61 CO -0.06 2.17 0.24 -1.30 0.00 0.00 0.00 173.10 174.14 1xe3 n THR 62 N 0.59 0.00 -3.60 0.90 -2.24 -0.41 -4.84 114.28 104.68 1xe3 n THR 62 Ca 0.01 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 1xe3 n THR 62 Cb 0.40 0.91 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1xe3 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xe3 n GLY 63 N 1.29 -1.88 3.56 3.38 0.00 -0.75 -3.16 105.19 107.63 1xe3 n GLY 63 Ca 0.01 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1xe3 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xe3 s MET 64 N -0.22 3.42 0.00 1.61 -1.94 -1.26 -4.58 119.30 116.33 1xe3 s MET 64 Ca 0.00 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1xe3 s MET 64 Cb 0.00 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.98 1xe3 s MET 64 CO 0.00 0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.83 1xe3 n GLY 65 N 3.04 1.71 0.24 -0.03 0.00 -1.25 -4.43 105.19 104.47 1xe3 n GLY 65 Ca -0.18 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 43.91 1xe3 n GLY 65 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xe3 h VAL 66 N 0.00 0.47 -0.48 1.61 2.07 -1.81 -2.00 116.25 116.11 1xe3 h VAL 66 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xe3 h VAL 66 Cb 0.00 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1xe3 h VAL 66 CO 0.00 0.00 0.27 -0.65 0.02 0.00 0.00 177.57 177.21 1xe3 h PRO 67 N -0.16 0.65 0.09 1.57 0.11 -1.92 -0.91 132.00 131.44 1xe3 h PRO 67 Ca 0.16 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xe3 h PRO 67 Cb 0.40 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1xe3 h PRO 67 CO -0.40 0.48 -0.04 1.03 -0.21 0.00 0.00 178.00 178.86 1xe3 h SER 68 N 0.66 -0.10 -0.08 -2.05 0.87 -1.67 -3.09 113.55 108.09 1xe3 h SER 68 Ca 0.17 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1xe3 h SER 68 Cb 0.01 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1xe3 h SER 68 CO -0.03 0.51 -0.01 -0.29 -0.53 0.00 0.00 176.83 176.48 1xe3 h ILE 69 N -0.78 1.12 -0.10 2.23 2.10 -1.33 -2.72 117.51 118.03 1xe3 h ILE 69 Ca -0.01 -0.48 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 1xe3 h ILE 69 Cb 0.59 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1xe3 h ILE 69 CO 0.02 0.16 -0.23 0.28 -1.08 0.00 0.00 178.15 177.30 1xe3 h SER 70 N 0.25 0.17 0.26 2.19 0.02 -1.21 0.34 113.55 115.58 1xe3 h SER 70 Ca 0.06 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1xe3 h SER 70 Cb 0.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1xe3 h SER 70 CO 0.00 0.41 -0.13 0.40 -1.14 0.00 0.00 176.83 176.37 1xe3 h ILE 71 N 0.16 0.77 -0.34 3.27 2.04 -1.40 -2.03 117.51 119.99 1xe3 h ILE 71 Ca 0.03 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1xe3 h ILE 71 Cb 0.49 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1xe3 h ILE 71 CO 0.03 0.13 0.16 1.88 0.00 0.00 0.00 178.15 180.35 1xe3 h TYR 72 N -0.71 0.49 -0.51 1.37 -1.99 -1.45 -1.95 116.97 112.23 1xe3 h TYR 72 Ca -0.04 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1xe3 h TYR 72 Cb 0.48 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1xe3 h TYR 72 CO 0.03 0.43 0.30 0.28 -0.00 0.00 0.00 178.16 179.20 1xe3 h VAL 73 N 0.40 1.16 -0.48 -2.88 2.07 -1.00 0.50 116.25 116.03 1xe3 h VAL 73 Ca 0.11 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1xe3 h VAL 73 Cb 0.13 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1xe3 h VAL 73 CO -0.01 0.16 0.16 0.78 0.02 0.00 0.00 177.57 178.68 1xe3 h ASN 74 N 0.68 0.15 -0.02 0.57 4.21 -1.19 -2.00 115.58 117.98 1xe3 h ASN 74 Ca 0.18 0.06 -0.21 0.00 1.21 0.00 0.00 56.30 57.54 1xe3 h ASN 74 Cb 0.00 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1xe3 h ASN 74 CO -0.03 0.12 -0.74 -0.33 -1.29 0.00 0.00 177.43 175.15 1xe3 h GLU 75 N 0.33 0.66 -0.86 0.81 5.08 -0.83 0.22 114.58 120.00 1xe3 h GLU 75 Ca 0.23 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xe3 h GLU 75 Cb 0.25 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1xe3 h GLU 75 CO -0.24 1.15 0.52 -0.07 -1.00 0.00 0.00 179.01 179.36 1xe3 h LEU 76 N 0.46 1.03 0.00 1.33 3.38 -0.80 0.08 115.31 120.79 1xe3 h LEU 76 Ca -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xe3 h LEU 76 Cb 1.35 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xe3 h LEU 76 CO 0.15 0.79 -0.00 0.40 0.09 0.00 0.00 178.44 179.87 1xe3 h ILE 77 N 1.18 1.65 0.10 1.22 2.04 -1.33 -1.93 117.51 120.44 1xe3 h ILE 77 Ca 0.31 -1.92 -0.29 0.00 1.00 0.00 0.00 64.86 63.95 1xe3 h ILE 77 Cb -0.05 2.96 0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1xe3 h ILE 77 CO -0.06 0.50 -1.20 1.56 0.00 0.00 0.00 178.15 178.95 1xe3 h GLN 78 N -0.82 0.64 0.00 2.37 1.08 -0.95 -2.94 115.11 114.49 1xe3 h GLN 78 Ca -0.00 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.38 1xe3 h GLN 78 Cb 0.82 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1xe3 h GLN 78 CO 0.00 1.37 -1.70 0.43 -0.95 0.00 0.00 178.83 177.98 1xe3 n SER 79 N -3.82 0.25 0.00 1.46 7.64 0.01 -4.60 113.62 114.56 1xe3 n SER 79 Ca -0.13 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1xe3 n SER 79 Cb 0.96 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.72 1xe3 n SER 79 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xe3 n TYR 80 N -2.33 0.00 -2.24 1.43 4.01 -1.09 -4.96 117.16 111.98 1xe3 n TYR 80 Ca -0.03 -0.02 -0.20 0.00 -0.16 0.00 0.00 57.90 57.49 1xe3 n TYR 80 Cb 0.55 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 1xe3 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xe3 n GLY 81 N -0.02 -0.04 3.77 2.72 0.00 -1.00 -4.89 105.19 105.72 1xe3 n GLY 81 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1xe3 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe3 s VAL 82 N -2.95 2.67 -0.03 1.61 1.01 -0.76 -4.77 120.40 117.19 1xe3 s VAL 82 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1xe3 s VAL 82 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1xe3 s VAL 82 CO 0.00 0.15 -0.01 0.29 0.00 0.00 0.00 175.10 175.52 1xe3 n LYS 83 N 1.07 1.45 -4.04 2.72 5.02 0.86 -4.61 118.16 120.63 1xe3 n LYS 83 Ca 0.01 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1xe3 n LYS 83 Cb 0.41 -1.07 -0.16 0.00 -0.02 0.00 0.00 35.03 34.19 1xe3 n LYS 83 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xe3 s ASN 84 N -3.93 2.88 -0.20 4.39 0.01 -0.42 -1.39 114.94 116.29 1xe3 s ASN 84 Ca -0.03 -0.57 0.01 0.00 -0.71 0.00 0.00 52.86 51.55 1xe3 s ASN 84 Cb 0.01 -1.27 0.04 0.00 0.41 0.00 0.00 41.25 40.45 1xe3 s ASN 84 CO 0.09 -0.05 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.77 1xe3 s LEU 85 N 1.42 2.23 -0.27 0.60 1.02 0.41 -1.72 118.68 122.38 1xe3 s LEU 85 Ca 0.04 -0.86 -0.00 0.00 0.02 0.00 0.00 54.13 53.33 1xe3 s LEU 85 Cb -0.13 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 44.90 1xe3 s LEU 85 CO -0.11 -0.14 -0.06 -0.63 0.02 0.00 0.00 176.35 175.42 1xe3 s ILE 86 N 1.41 2.67 0.00 -0.59 1.01 -0.33 -2.08 121.20 123.28 1xe3 s ILE 86 Ca -0.01 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 1xe3 s ILE 86 Cb -0.16 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1xe3 s ILE 86 CO -0.08 0.05 1.24 -0.60 0.00 0.00 0.00 174.94 175.55 1xe3 s ARG 87 N 1.24 4.37 0.15 2.79 6.06 -0.38 0.36 118.95 133.53 1xe3 s ARG 87 Ca -0.04 1.77 0.11 0.00 -2.50 0.00 0.00 55.73 55.07 1xe3 s ARG 87 Cb -0.18 -3.48 -0.04 0.00 0.06 0.00 0.00 34.95 31.31 1xe3 s ARG 87 CO -0.04 -0.40 -0.26 0.14 -2.50 0.00 0.00 175.30 172.24 1xe3 s VAL 88 N 1.81 2.28 -5.00 7.11 -7.23 -1.19 -1.33 120.40 116.84 1xe3 s VAL 88 Ca 0.59 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1xe3 s VAL 88 Cb -0.28 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1xe3 s VAL 88 CO 0.26 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1xe3 n GLY 89 N 0.75 -0.47 3.72 2.32 0.00 -1.22 -4.15 105.19 106.14 1xe3 n GLY 89 Ca -0.17 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1xe3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xe3 s THR 90 N -3.00 2.37 0.11 2.61 -4.23 -1.26 -0.91 115.64 111.33 1xe3 s THR 90 Ca 0.00 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1xe3 s THR 90 Cb 0.00 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1xe3 s THR 90 CO 0.00 -0.03 0.27 0.00 -0.54 0.00 0.00 174.62 174.31 1xe3 s GLY 92 N -2.86 1.87 0.24 0.00 0.00 -0.86 -1.01 107.32 104.70 1xe3 s GLY 92 Ca 0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 1xe3 s GLY 92 CO -0.10 0.44 1.22 0.00 0.00 0.00 0.00 173.10 174.65 1xe3 s ALA 93 N 1.29 3.46 0.00 3.20 0.00 0.09 0.20 121.76 130.00 1xe3 s ALA 93 Ca 0.06 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1xe3 s ALA 93 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1xe3 s ALA 93 CO 0.05 -0.40 0.00 0.44 0.00 0.00 0.00 175.76 175.85 1xe3 n ILE 94 N 1.92 0.00 -2.75 0.00 -5.35 -0.41 -1.24 119.36 111.52 1xe3 n ILE 94 Ca 0.03 -0.10 -0.39 0.00 -0.27 0.00 0.00 62.75 62.01 1xe3 n ILE 94 Cb 0.44 0.54 -0.06 0.00 -1.74 0.00 0.00 39.64 38.82 1xe3 n ILE 94 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1xe3 s GLN 95 N -1.23 4.79 0.47 6.28 -0.44 -1.10 -4.53 119.66 123.90 1xe3 s GLN 95 Ca 0.00 1.46 0.22 0.00 -2.50 0.00 0.00 55.36 54.54 1xe3 s GLN 95 Cb 0.00 -3.17 1.18 0.00 -1.64 0.00 0.00 33.01 29.38 1xe3 s GLN 95 CO 0.00 0.46 1.99 1.57 0.50 0.00 0.00 175.29 179.80 1xe3 h LYS 96 N 3.91 0.00 -0.01 1.67 2.10 -1.92 -2.45 116.57 119.87 1xe3 h LYS 96 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1xe3 h LYS 96 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1xe3 h LYS 96 CO 0.67 0.19 -0.26 -0.25 -2.00 0.00 0.00 179.45 177.81 1xe3 n ASP 97 N -3.82 1.72 -4.78 7.07 10.43 -1.26 -4.96 116.55 120.93 1xe3 n ASP 97 Ca -0.02 -1.35 -0.37 0.00 2.57 0.00 0.00 54.79 55.62 1xe3 n ASP 97 Cb 0.29 0.21 -0.06 0.00 1.84 0.00 0.00 41.12 43.40 1xe3 n ASP 97 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xe3 s VAL 98 N -2.35 4.17 0.16 2.53 1.01 -0.92 -5.06 120.40 119.94 1xe3 s VAL 98 Ca 0.25 1.74 0.10 0.00 0.00 0.00 0.00 61.98 64.07 1xe3 s VAL 98 Cb 0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xe3 s VAL 98 CO 0.48 0.09 -0.23 -0.54 0.00 0.00 0.00 175.10 174.90 1xe3 s LYS 99 N -2.20 1.36 0.43 2.72 -0.14 -1.26 -4.95 119.74 115.70 1xe3 s LYS 99 Ca 0.52 -1.40 -0.24 0.00 -1.36 0.00 0.00 55.97 53.49 1xe3 s LYS 99 Cb -0.18 -1.64 -0.11 0.00 -1.68 0.00 0.00 37.83 34.22 1xe3 s LYS 99 CO 0.23 0.36 0.96 1.33 -0.76 0.00 0.00 175.35 177.47 1xe3 n VAL 100 N 0.54 2.43 0.00 3.17 0.24 -1.26 -2.18 118.33 121.26 1xe3 n VAL 100 Ca -0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 1xe3 n VAL 100 Cb 0.55 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 1xe3 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xe3 n ARG 101 N 0.15 0.00 -1.90 7.34 1.74 -0.44 -4.96 116.66 118.58 1xe3 n ARG 101 Ca 0.10 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 1xe3 n ARG 101 Cb 0.39 -1.35 0.04 0.00 -1.02 0.00 0.00 32.46 30.52 1xe3 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xe3 s ASP 102 N -3.52 5.06 -0.16 0.55 1.11 -0.93 -4.70 116.67 114.09 1xe3 s ASP 102 Ca 0.00 2.30 -0.02 0.00 0.18 0.00 0.00 52.55 55.01 1xe3 s ASP 102 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 1xe3 s ASP 102 CO 0.00 -1.67 -0.09 0.68 1.18 0.00 0.00 175.17 175.27 1xe3 s VAL 103 N -1.80 3.29 -0.22 -1.27 -7.23 -0.69 -0.47 120.40 112.02 1xe3 s VAL 103 Ca 0.75 -0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 60.27 1xe3 s VAL 103 Cb -0.28 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1xe3 s VAL 103 CO 0.36 0.50 0.11 -0.63 -0.31 0.00 0.00 175.10 175.12 1xe3 s ILE 104 N 0.61 5.02 -0.30 -0.62 -1.09 0.56 -0.53 121.20 124.85 1xe3 s ILE 104 Ca -0.06 0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 1xe3 s ILE 104 Cb -0.15 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1xe3 s ILE 104 CO 0.03 0.40 0.05 -0.63 -1.23 0.00 0.00 174.94 173.56 1xe3 s ILE 105 N 0.79 3.63 -0.31 2.92 1.01 0.42 -0.68 121.20 128.99 1xe3 s ILE 105 Ca 0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 1xe3 s ILE 105 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1xe3 s ILE 105 CO 0.02 0.02 1.34 0.00 0.00 0.00 0.00 174.94 176.32 1xe3 s ALA 106 N 1.42 3.31 0.03 9.38 0.00 -0.99 -2.90 121.76 132.02 1xe3 s ALA 106 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1xe3 s ALA 106 Cb -0.18 -3.80 -0.16 0.00 0.00 0.00 0.00 23.12 18.98 1xe3 s ALA 106 CO 0.01 -1.87 1.28 1.98 0.00 0.00 0.00 175.76 177.16 1xe3 h MET 107 N 9.60 0.36 -4.65 0.00 4.05 -0.93 -3.41 114.93 119.96 1xe3 h MET 107 Ca -0.27 -0.23 -0.40 0.00 -0.28 0.00 0.00 59.70 58.52 1xe3 h MET 107 Cb 1.10 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 31.81 1xe3 h MET 107 CO 1.04 0.82 -0.40 0.99 0.23 0.00 0.00 176.91 179.59 1xe3 s THR 108 N -4.04 0.00 -0.02 -0.77 2.01 -1.25 -1.52 115.64 110.05 1xe3 s THR 108 Ca -0.14 -1.87 0.02 0.00 0.31 0.00 0.00 61.69 60.01 1xe3 s THR 108 Cb 0.05 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1xe3 s THR 108 CO 0.77 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 174.63 1xe3 s ALA 109 N -3.32 0.65 0.58 7.40 0.00 -1.25 -2.55 121.76 123.26 1xe3 s ALA 109 Ca 0.38 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 1xe3 s ALA 109 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1xe3 s ALA 109 CO 0.25 0.10 0.93 0.00 0.00 0.00 0.00 175.76 177.04 1xe3 s THR 111 N -3.02 0.01 -1.80 0.00 -1.32 -1.26 -0.18 115.64 108.07 1xe3 s THR 111 Ca 0.53 -0.09 0.21 0.00 -1.21 0.00 0.00 61.69 61.13 1xe3 s THR 111 Cb -0.11 -0.96 0.66 0.00 -1.51 0.00 0.00 72.50 70.59 1xe3 s THR 111 CO 0.49 -0.05 1.56 -0.90 -2.21 0.00 0.00 174.62 173.50 1xe3 n ASP 112 N 0.72 4.08 -4.79 8.08 5.75 -1.23 -4.97 116.55 124.19 1xe3 n ASP 112 Ca -0.19 -2.10 -0.36 0.00 -0.01 0.00 0.00 54.79 52.13 1xe3 n ASP 112 Cb 0.58 -0.51 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1xe3 n ASP 112 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xe3 s SER 113 N -0.97 6.90 0.00 -1.12 0.15 -1.26 -4.81 113.70 112.58 1xe3 s SER 113 Ca 0.49 1.90 0.31 0.00 0.70 0.00 0.00 55.95 59.35 1xe3 s SER 113 Cb 0.27 -2.57 1.73 0.00 -1.71 0.00 0.00 66.02 63.74 1xe3 s SER 113 CO 0.31 -0.39 2.14 -3.20 1.20 0.00 0.00 173.24 173.30 1xe3 n ASN 114 N -0.14 0.20 -0.36 5.45 5.15 -1.26 -4.55 115.26 119.75 1xe3 n ASN 114 Ca 0.05 -0.95 0.03 0.00 -0.60 0.00 0.00 54.58 53.11 1xe3 n ASN 114 Cb 0.51 -0.03 0.18 0.00 -0.53 0.00 0.00 39.78 39.91 1xe3 n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xe3 h MET 115 N 0.31 1.08 0.00 1.20 -0.00 -1.99 -1.79 114.93 113.74 1xe3 h MET 115 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1xe3 h MET 115 Cb 0.11 -0.24 0.00 0.00 -0.00 0.00 0.00 31.60 31.46 1xe3 h MET 115 CO 0.00 0.71 -0.48 0.09 -0.00 0.00 0.00 176.91 177.24 1xe3 n ASN 116 N -4.54 0.52 0.05 -0.10 5.03 -1.26 -3.87 115.26 111.09 1xe3 n ASN 116 Ca 0.15 -0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.45 1xe3 n ASN 116 Cb 0.21 0.10 -0.06 0.00 -1.02 0.00 0.00 39.78 39.01 1xe3 n ASN 116 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1xe3 h ARG 117 N 0.00 0.53 -0.55 3.52 3.08 -1.60 0.53 114.38 119.89 1xe3 h ARG 117 Ca 0.00 -0.55 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 1xe3 h ARG 117 Cb 0.60 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1xe3 h ARG 117 CO 0.00 1.18 0.19 -0.07 -1.07 0.00 0.00 179.97 180.20 1xe3 h LEU 118 N 0.31 0.75 0.03 3.04 -0.00 -1.69 -2.92 115.31 114.83 1xe3 h LEU 118 Ca -0.09 -0.11 -0.28 0.00 -0.00 0.00 0.00 57.88 57.41 1xe3 h LEU 118 Cb 1.58 -0.19 0.02 0.00 -0.00 0.00 0.00 40.66 42.07 1xe3 h LEU 118 CO 0.17 0.70 -1.14 0.74 -0.00 0.00 0.00 178.44 178.91 1xe3 h THR 119 N 0.80 1.31 -2.33 0.22 2.02 -1.59 -3.38 112.91 109.97 1xe3 h THR 119 Ca 0.19 -2.43 -0.59 0.00 0.77 0.00 0.00 66.41 64.35 1xe3 h THR 119 Cb 0.21 2.57 -0.40 0.00 -1.74 0.00 0.00 68.15 68.79 1xe3 h THR 119 CO -0.01 0.74 -0.86 0.49 0.37 0.00 0.00 175.52 176.25 1xe3 n PHE 120 N -3.78 1.05 -1.78 3.16 3.01 0.15 -5.11 117.46 114.15 1xe3 n PHE 120 Ca -0.11 -3.76 -0.41 0.00 1.01 0.00 0.00 57.45 54.17 1xe3 n PHE 120 Cb 0.93 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 40.10 1xe3 n PHE 120 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1xe3 s PRO 121 N -1.21 4.12 0.00 -1.08 0.02 -1.10 -1.83 135.00 133.92 1xe3 s PRO 121 Ca 0.34 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1xe3 s PRO 121 Cb 0.09 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1xe3 s PRO 121 CO -0.12 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 1xe3 n GLY 122 N 2.25 1.79 3.63 0.52 0.00 -1.26 -5.04 105.19 107.07 1xe3 n GLY 122 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xe3 n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xe3 s PHE 123 N -2.95 2.85 -0.44 1.61 0.40 -0.76 -5.09 117.98 113.60 1xe3 s PHE 123 Ca 0.00 -0.10 -0.21 0.00 -0.60 0.00 0.00 56.93 56.03 1xe3 s PHE 123 Cb 0.00 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 42.07 1xe3 s PHE 123 CO 0.00 0.45 0.63 -0.51 0.70 0.00 0.00 175.22 176.50 1xe3 s ASP 124 N -2.25 6.32 -0.14 1.36 1.01 -1.26 -4.85 116.67 116.86 1xe3 s ASP 124 Ca 0.23 -0.34 -0.22 0.00 0.71 0.00 0.00 52.55 52.93 1xe3 s ASP 124 Cb -0.11 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 1xe3 s ASP 124 CO 0.16 -0.77 0.68 0.12 0.21 0.00 0.00 175.17 175.56 1xe3 s PHE 125 N 2.79 3.46 -0.44 4.23 5.36 -1.26 -5.04 117.98 127.08 1xe3 s PHE 125 Ca 0.22 1.09 -0.07 0.00 -0.96 0.00 0.00 56.93 57.21 1xe3 s PHE 125 Cb -0.14 -2.82 0.12 0.00 -0.34 0.00 0.00 43.02 39.83 1xe3 s PHE 125 CO 0.19 -0.07 0.29 0.00 -1.46 0.00 0.00 175.22 174.16 1xe3 s ALA 126 N 1.49 3.29 0.02 11.12 0.00 -1.26 -5.04 121.76 131.38 1xe3 s ALA 126 Ca 0.33 -2.53 -0.30 0.00 0.00 0.00 0.00 51.96 49.45 1xe3 s ALA 126 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1xe3 s ALA 126 CO 0.13 -1.86 1.06 -1.25 0.00 0.00 0.00 175.76 173.84 1xe3 s PRO 127 N 1.27 4.51 0.01 0.00 0.04 -1.26 -5.02 135.00 134.55 1xe3 s PRO 127 Ca 0.07 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 1xe3 s PRO 127 Cb -0.25 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1xe3 s PRO 127 CO -0.02 -0.13 0.11 0.00 0.04 0.00 0.00 177.00 177.00 1xe3 s ALA 128 N 1.03 3.68 0.70 8.56 0.00 -1.26 -3.85 121.76 130.62 1xe3 s ALA 128 Ca 0.54 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1xe3 s ALA 128 Cb -0.24 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1xe3 s ALA 128 CO 0.28 0.72 1.09 0.00 0.00 0.00 0.00 175.76 177.85 1xe3 s ALA 129 N -1.27 2.45 -0.02 0.00 0.00 -0.57 -4.89 121.76 117.46 1xe3 s ALA 129 Ca 0.26 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1xe3 s ALA 129 Cb -0.12 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1xe3 s ALA 129 CO 0.17 -1.40 1.57 1.21 0.00 0.00 0.00 175.76 177.32 1xe3 s ASN 130 N -3.10 6.71 0.19 0.00 2.47 -0.74 -4.92 114.94 115.54 1xe3 s ASN 130 Ca 0.63 2.23 -0.09 0.00 0.42 0.00 0.00 52.86 56.05 1xe3 s ASN 130 Cb -0.18 -2.55 0.09 0.00 -1.45 0.00 0.00 41.25 37.16 1xe3 s ASN 130 CO 0.48 -0.86 1.68 0.15 -3.72 0.00 0.00 177.10 174.84 1xe3 h PHE 131 N 8.80 1.14 -0.27 0.43 3.57 -1.94 -1.51 116.94 127.16 1xe3 h PHE 131 Ca -0.39 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 60.98 1xe3 h PHE 131 Cb 1.18 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1xe3 h PHE 131 CO 0.83 0.96 0.09 0.22 -2.23 0.00 0.00 178.31 178.18 1xe3 h ASP 132 N 0.99 0.11 -0.56 0.41 3.58 -1.98 0.62 116.42 119.60 1xe3 h ASP 132 Ca 0.20 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1xe3 h ASP 132 Cb 0.43 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1xe3 h ASP 132 CO 0.01 0.10 0.23 -0.07 -2.88 0.00 0.00 179.24 176.63 1xe3 h LEU 133 N 0.22 0.76 -0.40 2.28 3.38 -1.89 -1.91 115.31 117.74 1xe3 h LEU 133 Ca 0.12 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xe3 h LEU 133 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1xe3 h LEU 133 CO -0.12 0.71 0.22 0.25 0.09 0.00 0.00 178.44 179.59 1xe3 h LEU 134 N 0.76 0.33 -0.11 1.67 6.46 -0.81 -1.34 115.31 122.27 1xe3 h LEU 134 Ca 0.19 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1xe3 h LEU 134 Cb 0.18 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1xe3 h LEU 134 CO -0.02 0.24 0.05 0.50 -0.62 0.00 0.00 178.44 178.59 1xe3 h LYS 135 N 0.44 0.16 -0.66 1.25 3.64 -0.78 -0.71 116.57 119.92 1xe3 h LYS 135 Ca 0.16 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1xe3 h LYS 135 Cb 0.04 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 1xe3 h LYS 135 CO -0.09 0.26 0.28 0.87 -2.27 0.00 0.00 179.45 178.50 1xe3 h LYS 136 N 0.03 0.47 -0.20 1.90 1.57 -1.16 0.75 116.57 119.92 1xe3 h LYS 136 Ca 0.04 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1xe3 h LYS 136 Cb 0.16 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1xe3 h LYS 136 CO -0.00 0.31 -0.46 0.00 -0.57 0.00 0.00 179.45 178.72 1xe3 h ALA 137 N 1.43 0.33 -0.15 3.86 0.00 -1.18 -1.14 119.26 122.42 1xe3 h ALA 137 Ca 0.33 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xe3 h ALA 137 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xe3 h ALA 137 CO -0.30 0.48 0.01 -0.92 0.00 0.00 0.00 179.25 178.52 1xe3 h TYR 138 N 0.36 0.01 -0.41 0.00 3.20 -0.95 0.69 116.97 119.88 1xe3 h TYR 138 Ca -0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xe3 h TYR 138 Cb 1.07 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1xe3 h TYR 138 CO 0.09 -0.01 0.24 -0.44 -1.64 0.00 0.00 178.16 176.40 1xe3 h ASP 139 N 0.06 0.50 -0.10 -2.11 3.32 -0.82 -1.45 116.42 115.83 1xe3 h ASP 139 Ca 0.07 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1xe3 h ASP 139 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1xe3 h ASP 139 CO -0.10 0.42 -0.10 0.00 -1.72 0.00 0.00 179.24 177.74 1xe3 h ALA 140 N 1.10 1.37 -0.30 3.45 0.00 -1.10 -2.10 119.26 121.67 1xe3 h ALA 140 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xe3 h ALA 140 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xe3 h ALA 140 CO -0.03 0.43 -0.09 0.78 0.00 0.00 0.00 179.25 180.34 1xe3 h GLY 141 N 0.85 0.64 1.61 0.00 0.00 -0.50 -2.33 103.07 103.34 1xe3 h GLY 141 Ca 0.08 -0.54 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1xe3 h GLY 141 CO 0.02 0.49 -0.71 -0.91 0.00 0.00 0.00 176.54 175.43 1xe3 h THR 142 N 0.35 1.38 -0.53 4.70 1.35 -1.18 -1.71 112.91 117.27 1xe3 h THR 142 Ca 0.07 -2.13 -0.03 0.00 -0.55 0.00 0.00 66.41 63.78 1xe3 h THR 142 Cb 0.59 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1xe3 h THR 142 CO 0.03 0.64 0.21 -0.08 -0.25 0.00 0.00 175.52 176.07 1xe3 h GLU 143 N 0.27 0.76 0.00 4.72 4.57 -1.41 -2.43 114.58 121.06 1xe3 h GLU 143 Ca -0.03 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1xe3 h GLU 143 Cb 1.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1xe3 h GLU 143 CO 0.12 0.63 0.00 -0.22 -1.18 0.00 0.00 179.01 178.36 1xe3 h LYS 144 N 0.75 0.00 0.00 1.92 1.63 -1.16 -3.47 116.57 116.24 1xe3 h LYS 144 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1xe3 h LYS 144 Cb 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1xe3 h LYS 144 CO -0.02 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.39 1xe3 n GLY 145 N 0.71 0.63 3.77 5.01 0.00 -0.88 -5.08 105.19 109.36 1xe3 n GLY 145 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1xe3 n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xe3 s LEU 146 N 0.00 4.14 -1.06 0.99 1.43 -0.70 -4.94 118.68 118.54 1xe3 s LEU 146 Ca 0.00 2.45 -0.22 0.00 -1.03 0.00 0.00 54.13 55.33 1xe3 s LEU 146 Cb 0.00 -4.05 0.05 0.00 0.03 0.00 0.00 46.19 42.22 1xe3 s LEU 146 CO 0.00 -0.83 1.52 -1.00 0.23 0.00 0.00 176.35 176.26 1xe3 s HIS 147 N -1.39 2.54 -0.08 0.29 3.76 -1.26 -4.48 115.29 114.68 1xe3 s HIS 147 Ca 0.59 -0.91 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1xe3 s HIS 147 Cb -0.33 -4.68 -0.05 0.00 1.11 0.00 0.00 32.58 28.63 1xe3 s HIS 147 CO 0.41 -1.91 0.35 0.54 -0.85 0.00 0.00 174.74 173.28 1xe3 s VAL 148 N 5.07 5.19 -0.07 -0.90 0.11 -1.26 -1.70 120.40 126.84 1xe3 s VAL 148 Ca 0.48 0.69 0.03 0.00 -2.93 0.00 0.00 61.98 60.24 1xe3 s VAL 148 Cb 0.00 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1xe3 s VAL 148 CO -0.07 0.50 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.94 1xe3 s ARG 149 N -0.42 1.82 -0.18 1.54 0.52 0.31 -4.97 118.95 117.56 1xe3 s ARG 149 Ca 0.21 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.94 1xe3 s ARG 149 Cb -0.15 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 1xe3 s ARG 149 CO 0.09 0.05 -0.09 0.08 0.02 0.00 0.00 175.30 175.45 1xe3 s VAL 150 N 0.60 3.08 0.00 3.52 1.01 -1.26 -0.43 120.40 126.92 1xe3 s VAL 150 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1xe3 s VAL 150 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1xe3 s VAL 150 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1xe3 n GLY 151 N 4.35 0.54 3.91 4.51 0.00 -1.14 -4.95 105.19 112.41 1xe3 n GLY 151 Ca -0.19 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1xe3 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe3 s ASN 152 N 0.31 6.11 0.13 1.61 6.03 -1.26 -0.17 114.94 127.69 1xe3 s ASN 152 Ca 0.00 0.81 0.03 0.00 -1.03 0.00 0.00 52.86 52.67 1xe3 s ASN 152 Cb 0.00 -2.08 -0.04 0.00 -3.03 0.00 0.00 41.25 36.10 1xe3 s ASN 152 CO 0.00 -0.66 -0.08 0.68 -2.03 0.00 0.00 177.10 175.01 1xe3 s VAL 153 N -2.75 0.98 -0.24 3.54 -7.23 -1.06 -1.56 120.40 112.09 1xe3 s VAL 153 Ca 0.48 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 1xe3 s VAL 153 Cb -0.10 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1xe3 s VAL 153 CO 0.44 -0.76 0.41 -0.22 -0.31 0.00 0.00 175.10 174.65 1xe3 s LEU 154 N -3.13 4.09 -0.65 1.32 0.20 0.12 0.32 118.68 120.95 1xe3 s LEU 154 Ca 0.16 0.42 -0.20 0.00 0.69 0.00 0.00 54.13 55.20 1xe3 s LEU 154 Cb 0.04 -2.50 0.09 0.00 -0.43 0.00 0.00 46.19 43.39 1xe3 s LEU 154 CO -0.01 -0.15 0.84 -0.89 -0.29 0.00 0.00 176.35 175.85 1xe3 s THR 155 N 1.78 4.63 0.21 3.68 2.01 0.74 -0.91 115.64 127.79 1xe3 s THR 155 Ca 0.18 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 61.11 1xe3 s THR 155 Cb -0.15 -4.59 -0.08 0.00 0.01 0.00 0.00 72.50 67.68 1xe3 s THR 155 CO 0.09 -1.29 0.81 0.00 -0.69 0.00 0.00 174.62 173.54 1xe3 s ALA 156 N 3.19 3.39 -0.79 7.40 0.00 0.14 -3.47 121.76 131.62 1xe3 s ALA 156 Ca 0.17 0.38 0.24 0.00 0.00 0.00 0.00 51.96 52.76 1xe3 s ALA 156 Cb -0.20 -3.00 0.37 0.00 0.00 0.00 0.00 23.12 20.29 1xe3 s ALA 156 CO 0.06 0.27 1.31 -3.47 0.00 0.00 0.00 175.76 173.94 1xe3 n ASP 157 N 1.24 0.60 -3.79 0.00 2.03 -1.26 -4.39 116.55 110.98 1xe3 n ASP 157 Ca -0.03 -0.09 -0.23 0.00 0.52 0.00 0.00 54.79 54.96 1xe3 n ASP 157 Cb 0.49 0.30 -0.17 0.00 -0.72 0.00 0.00 41.12 41.02 1xe3 n ASP 157 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xe3 s VAL 158 N -3.10 0.41 -0.05 5.18 1.01 -1.26 -5.01 120.40 117.57 1xe3 s VAL 158 Ca 0.08 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 1xe3 s VAL 158 Cb 0.15 -0.55 -0.22 0.00 0.00 0.00 0.00 36.38 35.76 1xe3 s VAL 158 CO 0.72 0.26 1.10 0.15 0.00 0.00 0.00 175.10 177.34 1xe3 h PHE 159 N 8.21 0.07 -2.99 5.22 3.57 -1.99 -3.40 116.94 125.63 1xe3 h PHE 159 Ca -0.22 -0.03 -0.72 0.00 3.53 0.00 0.00 57.97 60.53 1xe3 h PHE 159 Cb 1.13 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 39.65 1xe3 h PHE 159 CO 0.48 0.72 0.14 0.71 -2.23 0.00 0.00 178.31 178.12 1xe3 s TYR 160 N -3.54 3.13 -0.18 0.41 1.51 -1.26 -5.03 117.35 112.40 1xe3 s TYR 160 Ca -0.17 -1.17 -0.09 0.00 -1.01 0.00 0.00 57.07 54.64 1xe3 s TYR 160 Cb 0.01 -3.99 -0.05 0.00 -0.11 0.00 0.00 41.96 37.82 1xe3 s TYR 160 CO 0.70 -1.24 0.12 0.50 -1.11 0.00 0.00 175.55 174.51 1xe3 s ARG 161 N 2.24 3.97 0.09 -0.62 3.52 -1.26 -5.01 118.95 121.89 1xe3 s ARG 161 Ca 0.13 -0.23 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 1xe3 s ARG 161 Cb -0.21 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 1xe3 s ARG 161 CO 0.02 0.40 1.56 1.49 -0.81 0.00 0.00 175.30 177.96 1xe3 h GLU 162 N 6.31 0.46 -5.77 5.12 4.57 -1.97 -3.42 114.58 119.88 1xe3 h GLU 162 Ca -0.43 -0.13 -0.68 0.00 -1.18 0.00 0.00 59.36 56.94 1xe3 h GLU 162 Cb 1.17 -0.05 -0.29 0.00 -0.16 0.00 0.00 28.75 29.42 1xe3 h GLU 162 CO 0.71 0.58 -0.83 0.45 -1.18 0.00 0.00 179.01 178.74 1xe3 s SER 163 N -5.90 3.52 0.00 1.04 0.15 -1.26 -5.01 113.70 106.23 1xe3 s SER 163 Ca -0.14 -0.41 0.17 0.00 0.70 0.00 0.00 55.95 56.27 1xe3 s SER 163 Cb 0.08 -1.15 0.48 0.00 -1.71 0.00 0.00 66.02 63.71 1xe3 s SER 163 CO 0.74 0.23 1.39 0.23 1.20 0.00 0.00 173.24 177.04 1xe3 n MET 164 N 3.09 2.18 -0.15 5.44 2.81 -1.26 -4.61 117.12 124.61 1xe3 n MET 164 Ca -0.18 -1.83 -0.04 0.00 -1.81 0.00 0.00 57.70 53.84 1xe3 n MET 164 Cb 0.52 -1.41 0.05 0.00 -0.71 0.00 0.00 33.22 31.67 1xe3 n MET 164 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1xe3 h ASP 165 N 3.05 0.29 -0.18 7.83 3.32 -1.99 -0.37 116.42 128.38 1xe3 h ASP 165 Ca 0.00 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 1xe3 h ASP 165 Cb 0.69 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1xe3 h ASP 165 CO 0.00 0.21 -0.58 0.24 -1.72 0.00 0.00 179.24 177.38 1xe3 h MET 166 N 0.43 0.78 -0.03 3.56 2.86 -1.99 -1.30 114.93 119.24 1xe3 h MET 166 Ca 0.22 -0.51 -0.12 0.00 -2.06 0.00 0.00 59.70 57.22 1xe3 h MET 166 Cb 0.16 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1xe3 h MET 166 CO -0.17 1.14 -0.52 -0.39 1.06 0.00 0.00 176.91 178.02 1xe3 h VAL 167 N 0.59 1.37 -0.23 -2.22 -1.51 -1.83 -0.35 116.25 112.07 1xe3 h VAL 167 Ca 0.00 -1.80 -0.01 0.00 -1.23 0.00 0.00 66.70 63.67 1xe3 h VAL 167 Cb 1.18 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1xe3 h VAL 167 CO 0.12 0.52 0.12 0.50 -1.23 0.00 0.00 177.57 177.60 1xe3 h LYS 168 N 0.06 0.32 -0.86 5.19 1.63 -0.96 -2.19 116.57 119.77 1xe3 h LYS 168 Ca -0.00 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1xe3 h LYS 168 Cb 0.95 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1xe3 h LYS 168 CO 0.07 0.30 0.52 -0.22 -3.45 0.00 0.00 179.45 176.68 1xe3 h LYS 169 N 0.25 1.17 -0.65 1.90 3.64 -0.88 -0.01 116.57 122.00 1xe3 h LYS 169 Ca 0.08 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xe3 h LYS 169 Cb 0.08 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1xe3 h LYS 169 CO -0.01 0.82 0.35 -0.07 -2.27 0.00 0.00 179.45 178.27 1xe3 h LEU 170 N 1.19 0.81 -0.95 5.20 3.38 -1.02 -0.41 115.31 123.51 1xe3 h LEU 170 Ca 0.31 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xe3 h LEU 170 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1xe3 h LEU 170 CO -0.06 0.67 0.35 1.23 0.09 0.00 0.00 178.44 180.73 1xe3 h GLY 171 N 0.88 1.19 1.42 0.83 0.00 -0.98 -0.69 103.07 105.72 1xe3 h GLY 171 Ca 0.23 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1xe3 h GLY 171 CO -0.04 0.56 0.36 -0.55 0.00 0.00 0.00 176.54 176.88 1xe3 h ASP 172 N 1.10 0.59 -0.29 0.19 3.32 -0.56 -1.21 116.42 119.55 1xe3 h ASP 172 Ca 0.26 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1xe3 h ASP 172 Cb 0.13 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1xe3 h ASP 172 CO -0.03 0.42 0.13 -1.22 -1.72 0.00 0.00 179.24 176.81 1xe3 n TYR 173 N -4.46 0.96 -0.99 4.55 4.02 -0.20 -4.91 117.16 116.13 1xe3 n TYR 173 Ca 0.06 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 1xe3 n TYR 173 Cb 0.09 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 1xe3 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xe3 n GLY 174 N 0.06 0.64 3.71 2.72 0.00 -0.46 -5.00 105.19 106.86 1xe3 n GLY 174 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xe3 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe3 s VAL 175 N -2.62 3.26 -0.08 1.61 1.01 -0.34 -4.66 120.40 118.58 1xe3 s VAL 175 Ca 0.00 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 62.66 1xe3 s VAL 175 Cb 0.00 -3.57 -0.29 0.00 0.00 0.00 0.00 36.38 32.51 1xe3 s VAL 175 CO 0.00 0.06 0.77 -0.07 0.00 0.00 0.00 175.10 175.86 1xe3 h LEU 176 N 6.92 0.39 -8.08 3.92 3.38 -1.61 -3.15 115.31 117.08 1xe3 h LEU 176 Ca -0.42 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 56.65 1xe3 h LEU 176 Cb 1.21 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1xe3 h LEU 176 CO 0.87 1.43 0.07 0.00 0.09 0.00 0.00 178.44 180.90 1xe3 s ALA 177 N -2.42 -0.80 -0.04 1.53 0.00 -1.26 -1.29 121.76 117.48 1xe3 s ALA 177 Ca -0.16 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1xe3 s ALA 177 Cb 0.02 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1xe3 s ALA 177 CO 0.79 -0.95 -0.20 0.54 0.00 0.00 0.00 175.76 175.94 1xe3 s VAL 178 N -3.96 2.55 0.00 0.00 0.11 0.13 -0.70 120.40 118.53 1xe3 s VAL 178 Ca 0.16 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1xe3 s VAL 178 Cb -0.04 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 1xe3 s VAL 178 CO 0.07 0.58 0.00 -1.84 -3.33 0.00 0.00 175.10 170.59 1xe3 n GLU 179 N 2.45 0.00 -0.23 1.54 -0.00 -0.08 -2.02 120.64 122.30 1xe3 n GLU 179 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.01 1xe3 n GLU 179 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.98 1xe3 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1xe3 n MET 180 N 0.00 0.58 0.00 3.44 2.81 -1.26 0.27 117.12 122.96 1xe3 n MET 180 Ca 0.00 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 1xe3 n MET 180 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1xe3 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1xe3 n GLU 181 N -0.32 1.06 0.16 0.03 4.71 -1.26 -2.49 120.64 122.52 1xe3 n GLU 181 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.19 1xe3 n GLU 181 Cb 0.58 -0.54 0.25 0.00 -1.01 0.00 0.00 31.44 30.72 1xe3 n GLU 181 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1xe3 h THR 182 N 0.00 1.32 -0.69 2.62 1.35 -1.94 -2.55 112.91 113.02 1xe3 h THR 182 Ca 0.00 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.04 1xe3 h THR 182 Cb 0.08 1.99 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 1xe3 h THR 182 CO 0.00 0.51 0.39 0.00 -0.25 0.00 0.00 175.52 176.17 1xe3 h THR 183 N 0.00 1.20 0.03 6.82 1.03 -1.91 -0.06 112.91 120.02 1xe3 h THR 183 Ca -0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1xe3 h THR 183 Cb 0.95 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.28 1xe3 h THR 183 CO 0.07 0.22 -0.04 0.00 -0.01 0.00 0.00 175.52 175.75 1xe3 h ALA 184 N 1.48 -0.07 -0.40 0.00 0.00 -1.81 -1.56 119.26 116.89 1xe3 h ALA 184 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xe3 h ALA 184 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xe3 h ALA 184 CO -0.04 -0.55 0.19 1.25 0.00 0.00 0.00 179.25 180.10 1xe3 h LEU 185 N -0.09 0.53 -0.55 0.00 5.85 -1.36 -1.96 115.31 117.73 1xe3 h LEU 185 Ca 0.01 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 1xe3 h LEU 185 Cb 0.10 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xe3 h LEU 185 CO -0.02 0.51 -0.32 1.88 -0.34 0.00 0.00 178.44 180.15 1xe3 h TYR 186 N 0.51 0.96 -0.09 1.25 -1.99 -1.02 -1.60 116.97 114.99 1xe3 h TYR 186 Ca 0.14 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.58 1xe3 h TYR 186 Cb 0.12 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 1xe3 h TYR 186 CO -0.01 1.03 -0.07 1.15 -0.00 0.00 0.00 178.16 180.25 1xe3 h THR 187 N 0.69 1.36 -0.41 -2.88 2.02 -1.20 -2.11 112.91 110.37 1xe3 h THR 187 Ca 0.07 -1.20 -0.14 0.00 0.77 0.00 0.00 66.41 65.91 1xe3 h THR 187 Cb 0.87 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1xe3 h THR 187 CO 0.08 0.34 -0.29 -0.07 0.37 0.00 0.00 175.52 175.94 1xe3 h LEU 188 N -0.21 0.94 -0.34 2.58 3.38 -1.39 0.11 115.31 120.38 1xe3 h LEU 188 Ca 0.01 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1xe3 h LEU 188 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1xe3 h LEU 188 CO 0.02 1.16 0.11 0.00 0.09 0.00 0.00 178.44 179.82 1xe3 h ALA 189 N 0.89 0.39 -0.21 1.53 0.00 -1.35 -1.33 119.26 119.18 1xe3 h ALA 189 Ca 0.08 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xe3 h ALA 189 Cb 0.86 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1xe3 h ALA 189 CO 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.04 1xe3 h ALA 190 N 1.23 0.19 -0.91 0.00 0.00 -1.19 0.87 119.26 119.46 1xe3 h ALA 190 Ca 0.16 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.27 1xe3 h ALA 190 Cb 0.14 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1xe3 h ALA 190 CO -0.17 -0.42 0.50 -0.22 0.00 0.00 0.00 179.25 178.94 1xe3 h LYS 191 N 0.08 0.69 -0.07 0.00 3.64 -0.45 -2.91 116.57 117.54 1xe3 h LYS 191 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xe3 h LYS 191 Cb 0.12 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xe3 h LYS 191 CO -0.16 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1xe3 n TYR 192 N -4.81 0.06 -2.64 1.91 4.01 -0.53 -4.98 117.16 110.18 1xe3 n TYR 192 Ca 0.19 -0.03 -0.11 0.00 -0.16 0.00 0.00 57.90 57.79 1xe3 n TYR 192 Cb 0.45 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.50 1xe3 n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xe3 n GLY 193 N 1.32 0.11 3.75 2.72 0.00 0.05 -5.05 105.19 108.09 1xe3 n GLY 193 Ca 0.14 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1xe3 n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xe3 s VAL 194 N -2.85 1.45 -0.17 1.61 -7.23 0.08 -5.02 120.40 108.27 1xe3 s VAL 194 Ca 0.15 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1xe3 s VAL 194 Cb -0.07 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1xe3 s VAL 194 CO 0.19 0.00 -0.01 0.20 -0.31 0.00 0.00 175.10 175.17 1xe3 s ASN 195 N -3.90 4.95 0.12 4.85 0.02 -0.48 -4.32 114.94 116.18 1xe3 s ASN 195 Ca 0.17 -0.11 0.05 0.00 -1.02 0.00 0.00 52.86 51.95 1xe3 s ASN 195 Cb 0.03 -1.82 -0.04 0.00 0.02 0.00 0.00 41.25 39.44 1xe3 s ASN 195 CO 0.09 0.15 -0.12 0.00 0.02 0.00 0.00 177.10 177.24 1xe3 s ALA 196 N 0.49 1.39 -0.15 0.60 0.00 -1.26 -0.44 121.76 122.39 1xe3 s ALA 196 Ca -0.02 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.36 1xe3 s ALA 196 Cb -0.14 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.03 1xe3 s ALA 196 CO 0.02 0.03 0.73 -1.17 0.00 0.00 0.00 175.76 175.37 1xe3 s LEU 197 N -2.58 -0.67 -0.13 0.00 2.96 -0.89 -1.80 118.68 115.57 1xe3 s LEU 197 Ca 0.09 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1xe3 s LEU 197 Cb -0.03 2.45 -0.01 0.00 0.50 0.00 0.00 46.19 49.09 1xe3 s LEU 197 CO 0.02 -0.43 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.03 1xe3 s SER 198 N -0.50 3.88 -0.09 3.68 0.01 -1.26 -1.25 113.70 118.16 1xe3 s SER 198 Ca -0.06 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1xe3 s SER 198 Cb -0.02 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.64 1xe3 s SER 198 CO 0.05 0.15 -0.06 0.54 0.41 0.00 0.00 173.24 174.33 1xe3 s VAL 199 N 0.44 0.87 -0.02 3.43 0.11 -0.44 -2.33 120.40 122.45 1xe3 s VAL 199 Ca -0.11 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1xe3 s VAL 199 Cb -0.16 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1xe3 s VAL 199 CO 0.05 0.33 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.23 1xe3 s LEU 200 N 1.52 1.99 -0.10 2.54 1.02 0.15 -3.44 118.68 122.35 1xe3 s LEU 200 Ca 0.00 -0.29 -0.17 0.00 0.02 0.00 0.00 54.13 53.68 1xe3 s LEU 200 Cb -0.13 -0.83 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 1xe3 s LEU 200 CO -0.05 0.18 0.46 -0.89 0.02 0.00 0.00 176.35 176.07 1xe3 s THR 201 N -0.26 5.17 -0.14 5.49 2.01 -0.08 -0.32 115.64 127.50 1xe3 s THR 201 Ca 0.04 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 1xe3 s THR 201 Cb -0.07 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1xe3 s THR 201 CO -0.00 0.37 1.46 -0.69 -0.69 0.00 0.00 174.62 175.07 1xe3 s VAL 202 N 0.37 3.92 -0.04 3.82 1.01 0.38 -0.89 120.40 128.97 1xe3 s VAL 202 Ca 0.25 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 1xe3 s VAL 202 Cb -0.15 -3.76 -0.26 0.00 0.00 0.00 0.00 36.38 32.20 1xe3 s VAL 202 CO 0.10 -0.16 0.69 0.77 0.00 0.00 0.00 175.10 176.51 1xe3 h SER 203 N 9.16 0.32 -5.00 3.32 4.64 -1.42 -1.17 113.55 123.40 1xe3 h SER 203 Ca -0.32 -0.54 0.02 0.00 -0.47 0.00 0.00 61.79 60.48 1xe3 h SER 203 Cb 1.14 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 1xe3 h SER 203 CO 0.97 1.47 0.23 1.51 -0.87 0.00 0.00 176.83 180.14 1xe3 s ASP 204 N -6.82 -0.44 -0.24 4.97 -4.77 -1.25 -0.97 116.67 107.15 1xe3 s ASP 204 Ca -0.12 -0.23 -0.06 0.00 -3.30 0.00 0.00 52.55 48.85 1xe3 s ASP 204 Cb 0.07 0.64 -0.02 0.00 -1.09 0.00 0.00 42.92 42.52 1xe3 s ASP 204 CO 0.83 -1.10 0.04 -2.28 0.70 0.00 0.00 175.17 173.36 1xe3 s HIS 205 N -3.78 3.05 0.33 2.11 2.46 0.29 -0.73 115.29 119.01 1xe3 s HIS 205 Ca 0.05 -0.60 0.03 0.00 0.47 0.00 0.00 55.06 55.01 1xe3 s HIS 205 Cb -0.03 -2.20 0.58 0.00 -0.13 0.00 0.00 32.58 30.80 1xe3 s HIS 205 CO -0.05 -0.42 1.89 0.82 -2.47 0.00 0.00 174.74 174.50 1xe3 h ILE 206 N 5.61 1.19 0.00 0.89 2.04 -1.45 -1.45 117.51 124.34 1xe3 h ILE 206 Ca -0.39 -0.70 -0.37 0.00 1.00 0.00 0.00 64.86 64.40 1xe3 h ILE 206 Cb 1.17 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 1xe3 h ILE 206 CO 0.59 0.25 -2.34 0.49 0.00 0.00 0.00 178.15 177.14 1xe3 n PHE 207 N -4.31 0.10 0.46 1.37 3.72 -1.26 -4.32 117.46 113.21 1xe3 n PHE 207 Ca 0.03 0.03 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1xe3 n PHE 207 Cb 0.21 -1.02 0.21 0.00 -0.94 0.00 0.00 39.48 37.94 1xe3 n PHE 207 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1xe3 h THR 208 N 0.00 0.00 0.00 4.37 1.35 -1.91 -3.47 112.91 113.24 1xe3 h THR 208 Ca -0.53 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1xe3 h THR 208 Cb 2.19 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1xe3 h THR 208 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1xe3 n GLY 209 N 1.27 1.91 3.69 5.82 0.00 -0.55 -5.02 105.19 112.31 1xe3 n GLY 209 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1xe3 n GLY 209 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xe3 n GLU 210 N -2.00 2.46 -4.18 1.61 -0.58 -1.24 -4.79 120.64 111.93 1xe3 n GLU 210 Ca 0.00 0.89 -0.15 0.00 -0.42 0.00 0.00 57.16 57.48 1xe3 n GLU 210 Cb 0.00 -2.71 -0.11 0.00 -0.57 0.00 0.00 31.44 28.06 1xe3 n GLU 210 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1xe3 s GLU 211 N 1.30 0.87 0.03 3.49 0.41 -1.26 0.11 118.70 123.64 1xe3 s GLU 211 Ca 0.78 -1.15 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 1xe3 s GLU 211 Cb -0.59 -0.61 -0.02 0.00 -1.78 0.00 0.00 34.13 31.13 1xe3 s GLU 211 CO 0.36 0.10 -0.08 -0.08 -0.49 0.00 0.00 175.26 175.07 1xe3 s THR 212 N -2.29 0.57 0.47 3.63 -1.32 -0.14 -4.95 115.64 111.60 1xe3 s THR 212 Ca 0.05 -0.81 -0.14 0.00 -1.21 0.00 0.00 61.69 59.58 1xe3 s THR 212 Cb -0.04 -0.58 -0.07 0.00 -1.51 0.00 0.00 72.50 70.30 1xe3 s THR 212 CO 0.01 -0.19 0.89 -0.89 -2.21 0.00 0.00 174.62 172.23 1xe3 s THR 213 N -0.94 4.64 0.29 5.08 2.01 -1.26 -4.84 115.64 120.63 1xe3 s THR 213 Ca -0.05 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 1xe3 s THR 213 Cb -0.07 -3.72 0.27 0.00 0.01 0.00 0.00 72.50 68.98 1xe3 s THR 213 CO 0.00 -0.61 1.93 0.77 -0.69 0.00 0.00 174.62 176.02 1xe3 h SER 214 N 1.08 0.96 -0.47 3.53 4.64 -1.97 -1.78 113.55 119.55 1xe3 h SER 214 Ca -0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1xe3 h SER 214 Cb 1.19 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1xe3 h SER 214 CO 0.63 0.65 0.25 -0.08 -0.87 0.00 0.00 176.83 177.41 1xe3 h GLU 215 N 1.11 0.65 -0.15 4.77 4.81 -2.00 -2.22 114.58 121.56 1xe3 h GLU 215 Ca 0.37 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1xe3 h GLU 215 Cb 0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xe3 h GLU 215 CO -0.12 0.52 0.13 0.93 -0.73 0.00 0.00 179.01 179.74 1xe3 h GLU 216 N 0.61 0.00 -0.20 1.92 5.08 -1.73 -2.93 114.58 117.34 1xe3 h GLU 216 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xe3 h GLU 216 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xe3 h GLU 216 CO -0.03 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.87 1xe3 n ARG 217 N -4.09 2.63 -0.14 2.33 1.85 -0.89 -4.75 116.66 113.59 1xe3 n ARG 217 Ca 0.01 -2.35 0.01 0.00 -1.00 0.00 0.00 57.85 54.52 1xe3 n ARG 217 Cb 0.25 -1.48 0.30 0.00 -1.05 0.00 0.00 32.46 30.48 1xe3 n ARG 217 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1xe3 h GLN 218 N 1.26 0.83 -0.11 2.89 5.75 -1.20 -1.05 115.11 123.48 1xe3 h GLN 218 Ca 0.00 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1xe3 h GLN 218 Cb 1.01 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1xe3 h GLN 218 CO 0.08 0.57 -0.27 1.15 -2.65 0.00 0.00 178.83 177.72 1xe3 h THR 219 N 0.85 1.39 -0.19 2.39 2.02 -1.85 0.77 112.91 118.28 1xe3 h THR 219 Ca 0.22 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.86 1xe3 h THR 219 Cb -0.05 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1xe3 h THR 219 CO -0.04 0.46 -0.03 0.74 0.37 0.00 0.00 175.52 177.02 1xe3 h THR 220 N -0.06 0.83 -0.67 3.16 2.02 -1.88 -1.90 112.91 114.41 1xe3 h THR 220 Ca -0.00 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1xe3 h THR 220 Cb 0.87 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1xe3 h THR 220 CO 0.06 0.00 0.35 0.15 0.37 0.00 0.00 175.52 176.46 1xe3 h PHE 221 N 0.02 0.64 -0.58 3.16 3.57 -1.11 0.42 116.94 123.07 1xe3 h PHE 221 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1xe3 h PHE 221 Cb 0.13 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1xe3 h PHE 221 CO -0.20 0.28 0.14 -0.91 -2.23 0.00 0.00 178.31 175.39 1xe3 h ASN 222 N 0.63 0.84 -0.05 0.41 2.35 -0.58 -1.21 115.58 117.97 1xe3 h ASN 222 Ca 0.31 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1xe3 h ASN 222 Cb 0.26 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1xe3 h ASN 222 CO -0.22 0.82 -0.44 -0.33 -1.65 0.00 0.00 177.43 175.62 1xe3 h GLU 223 N 0.86 0.59 -0.55 0.81 5.08 -0.93 -1.91 114.58 118.53 1xe3 h GLU 223 Ca 0.19 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1xe3 h GLU 223 Cb 0.31 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1xe3 h GLU 223 CO -0.00 0.91 0.32 1.98 -1.00 0.00 0.00 179.01 181.23 1xe3 h MET 224 N 0.48 0.62 -0.71 2.33 4.05 -0.54 -2.32 114.93 118.83 1xe3 h MET 224 Ca 0.03 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1xe3 h MET 224 Cb 0.95 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.56 1xe3 h MET 224 CO 0.09 0.41 0.43 0.82 0.23 0.00 0.00 176.91 178.89 1xe3 h ILE 225 N 0.64 1.05 -0.24 1.77 1.08 -1.01 -0.09 117.51 120.71 1xe3 h ILE 225 Ca 0.23 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1xe3 h ILE 225 Cb 0.05 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 1xe3 h ILE 225 CO -0.11 0.15 0.13 -0.33 -0.69 0.00 0.00 178.15 177.30 1xe3 h GLU 226 N 0.83 0.33 -0.26 2.37 5.08 -1.01 0.48 114.58 122.40 1xe3 h GLU 226 Ca 0.30 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1xe3 h GLU 226 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xe3 h GLU 226 CO -0.14 0.29 -0.25 -0.84 -1.00 0.00 0.00 179.01 177.08 1xe3 h ILE 227 N 0.28 1.26 -0.61 3.13 3.07 -1.10 0.12 117.51 123.67 1xe3 h ILE 227 Ca 0.08 -1.26 -0.04 0.00 1.55 0.00 0.00 64.86 65.19 1xe3 h ILE 227 Cb 0.06 1.34 -0.03 0.00 -0.27 0.00 0.00 36.82 37.92 1xe3 h ILE 227 CO -0.01 0.40 0.21 0.00 -1.05 0.00 0.00 178.15 177.70 1xe3 h ALA 228 N 1.30 0.79 -0.56 0.16 0.00 -0.71 -0.28 119.26 119.96 1xe3 h ALA 228 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xe3 h ALA 228 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xe3 h ALA 228 CO 0.05 0.44 0.18 -0.07 0.00 0.00 0.00 179.25 179.85 1xe3 h LEU 229 N 0.85 0.82 -0.16 0.00 3.38 -0.53 -1.22 115.31 118.45 1xe3 h LEU 229 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xe3 h LEU 229 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xe3 h LEU 229 CO -0.01 0.80 0.05 0.44 0.09 0.00 0.00 178.44 179.81 1xe3 h ASP 230 N 0.78 0.23 -0.79 -0.43 3.32 -0.65 -2.56 116.42 116.32 1xe3 h ASP 230 Ca 0.18 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1xe3 h ASP 230 Cb 0.28 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1xe3 h ASP 230 CO -0.01 0.37 0.48 0.00 -1.72 0.00 0.00 179.24 178.36 1xe3 h ALA 231 N 0.87 1.06 -0.54 3.45 0.00 -1.00 -3.20 119.26 119.91 1xe3 h ALA 231 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1xe3 h ALA 231 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xe3 h ALA 231 CO -0.00 0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.37 1xe3 h ALA 232 N 1.37 0.80 -0.02 0.00 0.00 -1.04 -3.48 119.26 116.90 1xe3 h ALA 232 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xe3 h ALA 232 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xe3 h ALA 232 CO -0.16 0.67 0.00 0.44 0.00 0.00 0.00 179.25 180.20