#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe3 s SER 2 N 0.00 4.04 0.30 3.17 1.04 -1.18 -5.01 113.70 116.07 1xe3 s SER 2 Ca 0.00 0.18 0.14 0.00 0.48 0.00 0.00 55.95 56.74 1xe3 s SER 2 Cb 0.00 -0.52 0.43 0.00 0.10 0.00 0.00 66.02 66.03 1xe3 s SER 2 CO 0.00 -2.11 1.63 1.62 0.98 0.00 0.00 173.24 175.36 1xe3 h VAL 3 N -0.99 1.20 -0.05 5.02 3.04 -1.98 -3.32 116.25 119.17 1xe3 h VAL 3 Ca -0.42 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.29 1xe3 h VAL 3 Cb 1.27 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 1xe3 h VAL 3 CO 0.47 0.53 0.00 1.41 -1.01 0.00 0.00 177.57 178.97 1xe3 n HIS 4 N -3.62 0.06 -4.09 3.17 -0.00 -1.26 -4.96 115.22 104.52 1xe3 n HIS 4 Ca -0.00 -0.12 -0.23 0.00 -0.00 0.00 0.00 57.72 57.36 1xe3 n HIS 4 Cb 0.60 -0.01 -0.17 0.00 -0.00 0.00 0.00 29.99 30.42 1xe3 n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1xe3 s ILE 5 N -0.63 0.72 -2.01 1.59 1.01 -1.25 -4.74 121.20 115.89 1xe3 s ILE 5 Ca 0.08 -0.17 0.12 0.00 0.00 0.00 0.00 60.65 60.69 1xe3 s ILE 5 Cb 0.05 -0.75 0.34 0.00 0.01 0.00 0.00 42.46 42.12 1xe3 s ILE 5 CO 0.08 0.29 1.29 -1.84 0.00 0.00 0.00 174.94 174.76 1xe3 n GLU 6 N 4.46 1.89 -1.72 2.79 0.28 -1.26 -3.12 120.64 123.96 1xe3 n GLU 6 Ca -0.18 -1.38 -0.36 0.00 -0.16 0.00 0.00 57.16 55.09 1xe3 n GLU 6 Cb 0.51 -1.30 0.07 0.00 1.43 0.00 0.00 31.44 32.14 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 -1.50 2.34 0.66 -1.84 0.00 -1.21 -4.94 121.76 115.28 1xe3 s ALA 7 Ca 0.26 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 53.25 1xe3 s ALA 7 Cb 0.14 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1xe3 s ALA 7 CO 0.18 -1.57 0.94 0.15 0.00 0.00 0.00 175.76 175.45 1xe3 s LYS 8 N -3.53 2.13 0.12 0.00 -0.14 -1.26 -4.52 119.74 112.54 1xe3 s LYS 8 Ca 0.79 -0.64 -0.31 0.00 -1.36 0.00 0.00 55.97 54.44 1xe3 s LYS 8 Cb -0.33 -2.30 -0.08 0.00 -1.68 0.00 0.00 37.83 33.43 1xe3 s LYS 8 CO 0.40 -1.15 1.48 -0.65 -0.76 0.00 0.00 175.35 174.67 1xe3 s GLN 9 N -5.08 4.27 0.00 1.68 -1.52 -1.26 -2.60 119.66 115.14 1xe3 s GLN 9 Ca 0.61 2.19 0.00 0.00 -1.95 0.00 0.00 55.36 56.21 1xe3 s GLN 9 Cb -0.09 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.41 1xe3 s GLN 9 CO 0.43 -0.54 0.00 0.41 -0.25 0.00 0.00 175.29 175.34 1xe3 n GLY 10 N 3.65 0.99 0.16 3.09 0.00 -1.26 -4.92 105.19 106.90 1xe3 n GLY 10 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 3.68 0.00 -5.31 1.61 5.08 -1.90 -3.43 114.58 114.30 1xe3 h GLU 11 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1xe3 h GLU 11 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 1xe3 h GLU 11 CO 0.00 0.00 -0.80 0.42 -1.00 0.00 0.00 179.01 177.63 1xe3 s ILE 12 N -3.22 2.71 0.83 3.13 1.01 -1.26 -4.68 121.20 119.73 1xe3 s ILE 12 Ca 0.08 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1xe3 s ILE 12 Cb 0.09 -2.11 0.09 0.00 0.01 0.00 0.00 42.46 40.54 1xe3 s ILE 12 CO 0.59 0.53 1.10 0.00 0.00 0.00 0.00 174.94 177.16 1xe3 s ALA 13 N 0.39 1.90 0.28 9.38 0.00 -1.26 -4.93 121.76 127.52 1xe3 s ALA 13 Ca -0.13 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1xe3 s ALA 13 Cb -0.16 -3.31 0.42 0.00 0.00 0.00 0.00 23.12 20.07 1xe3 s ALA 13 CO 0.06 -2.16 1.75 0.93 0.00 0.00 0.00 175.76 176.34 1xe3 h GLU 14 N -1.42 0.53 -5.86 0.00 5.08 -1.86 -3.43 114.58 107.63 1xe3 h GLU 14 Ca -0.44 -0.18 -0.67 0.00 -1.00 0.00 0.00 59.36 57.06 1xe3 h GLU 14 Cb 1.25 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1xe3 h GLU 14 CO 0.49 0.69 -0.57 -1.12 -1.00 0.00 0.00 179.01 177.51 1xe3 s SER 15 N -6.78 5.69 -0.15 1.42 0.01 -1.26 -0.57 113.70 112.05 1xe3 s SER 15 Ca -0.07 0.26 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 1xe3 s SER 15 Cb 0.14 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.71 1xe3 s SER 15 CO 0.79 0.38 0.41 -0.51 0.41 0.00 0.00 173.24 174.72 1xe3 s ILE 16 N -0.96 -0.00 -0.08 1.44 2.07 -0.67 -1.74 121.20 121.26 1xe3 s ILE 16 Ca 0.15 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.28 1xe3 s ILE 16 Cb -0.12 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.86 1xe3 s ILE 16 CO 0.04 0.00 0.26 -0.76 -1.91 0.00 0.00 174.94 172.57 1xe3 s LEU 17 N 0.25 4.41 -0.64 8.50 1.43 -0.59 -1.17 118.68 130.87 1xe3 s LEU 17 Ca -0.00 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1xe3 s LEU 17 Cb -0.03 -2.29 0.18 0.00 0.03 0.00 0.00 46.19 44.07 1xe3 s LEU 17 CO 0.00 0.35 0.49 0.18 0.23 0.00 0.00 176.35 177.60 1xe3 n LEU 18 N 2.08 2.35 -4.84 1.79 4.77 0.55 -1.48 117.00 122.22 1xe3 n LEU 18 Ca -0.17 -5.06 -0.31 0.00 -0.03 0.00 0.00 56.01 50.44 1xe3 n LEU 18 Cb 0.54 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1xe3 n LEU 18 CO 0.34 1.81 0.71 -2.16 -1.33 0.00 0.00 177.39 176.77 1xe3 s PRO 19 N -1.26 3.25 0.03 3.23 0.04 -1.22 -2.99 135.00 136.08 1xe3 s PRO 19 Ca 0.28 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1xe3 s PRO 19 Cb -0.00 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.25 1xe3 s PRO 19 CO -0.16 -0.85 1.11 0.78 0.04 0.00 0.00 177.00 177.92 1xe3 h GLY 20 N -0.44 0.60 -5.86 0.56 0.00 -1.83 -1.00 103.07 95.10 1xe3 h GLY 20 Ca -0.44 -1.12 -0.59 0.00 0.00 0.00 0.00 47.33 45.18 1xe3 h GLY 20 CO 0.59 0.99 0.29 -0.35 0.00 0.00 0.00 176.54 178.05 1xe3 s ASP 21 N -7.07 6.77 0.53 0.19 -1.08 -1.26 -0.82 116.67 113.93 1xe3 s ASP 21 Ca -0.11 0.95 0.30 0.00 -0.52 0.00 0.00 52.55 53.16 1xe3 s ASP 21 Cb 0.05 -2.40 1.45 0.00 -1.46 0.00 0.00 42.92 40.56 1xe3 s ASP 21 CO 0.88 -0.39 2.05 1.55 0.52 0.00 0.00 175.17 179.78 1xe3 h PRO 22 N 7.57 0.00 0.00 4.34 0.13 -1.87 -1.59 132.00 140.57 1xe3 h PRO 22 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1xe3 h PRO 22 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1xe3 h PRO 22 CO 0.82 0.11 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.21 1xe3 h LEU 23 N 0.00 0.00 -0.45 1.56 3.38 -1.92 -2.35 115.31 115.52 1xe3 h LEU 23 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1xe3 h LEU 23 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xe3 h LEU 23 CO 0.01 0.41 -0.77 0.03 0.09 0.00 0.00 178.44 178.21 1xe3 h ARG 24 N 0.00 0.06 -0.63 1.13 2.47 -1.72 -1.80 114.38 113.89 1xe3 h ARG 24 Ca -0.00 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 1xe3 h ARG 24 Cb 1.14 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.45 1xe3 h ARG 24 CO 0.05 0.80 0.21 0.00 0.56 0.00 0.00 179.97 181.60 1xe3 h ALA 25 N 1.18 0.82 -0.01 0.04 0.00 -1.19 -0.78 119.26 119.33 1xe3 h ALA 25 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xe3 h ALA 25 Cb 1.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xe3 h ALA 25 CO 0.11 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 179.62 1xe3 h LYS 26 N 0.90 0.01 -0.35 0.00 3.64 -1.44 -1.06 116.57 118.27 1xe3 h LYS 26 Ca 0.20 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1xe3 h LYS 26 Cb 0.27 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1xe3 h LYS 26 CO -0.01 0.07 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.32 1xe3 h TYR 27 N -0.06 -0.03 -0.40 1.91 3.20 -1.17 -0.17 116.97 120.25 1xe3 h TYR 27 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1xe3 h TYR 27 Cb 0.07 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1xe3 h TYR 27 CO -0.06 -0.07 0.12 0.82 -1.64 0.00 0.00 178.16 177.34 1xe3 h ILE 28 N 0.09 1.22 -0.14 1.81 2.04 -1.09 0.16 117.51 121.60 1xe3 h ILE 28 Ca 0.17 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1xe3 h ILE 28 Cb 0.23 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1xe3 h ILE 28 CO -0.29 0.25 0.05 0.00 0.00 0.00 0.00 178.15 178.17 1xe3 h ALA 29 N 0.97 0.18 -0.25 1.87 0.00 -0.83 0.10 119.26 121.30 1xe3 h ALA 29 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1xe3 h ALA 29 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xe3 h ALA 29 CO -0.00 -0.22 -0.16 0.93 0.00 0.00 0.00 179.25 179.79 1xe3 h GLU 30 N 0.07 0.44 0.11 0.00 5.08 -0.95 -1.39 114.58 117.93 1xe3 h GLU 30 Ca 0.05 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1xe3 h GLU 30 Cb 0.18 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xe3 h GLU 30 CO -0.00 0.59 -0.69 1.15 -1.00 0.00 0.00 179.01 179.06 1xe3 h THR 31 N 0.40 1.54 0.00 1.13 2.02 -0.46 -3.39 112.91 114.15 1xe3 h THR 31 Ca 0.07 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1xe3 h THR 31 Cb 0.52 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1xe3 h THR 31 CO 0.03 0.69 -1.68 0.49 0.37 0.00 0.00 175.52 175.42 1xe3 n PHE 32 N -4.20 0.00 -4.23 3.16 3.72 0.00 -5.02 117.46 110.90 1xe3 n PHE 32 Ca -0.13 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.97 1xe3 n PHE 32 Cb 0.76 -0.35 -0.10 0.00 -0.94 0.00 0.00 39.48 38.85 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 -4.05 3.04 0.20 4.37 1.02 -0.53 -4.74 118.68 118.00 1xe3 s LEU 33 Ca -0.05 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 53.78 1xe3 s LEU 33 Cb 0.12 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1xe3 s LEU 33 CO 0.76 0.18 0.11 -1.61 0.02 0.00 0.00 176.35 175.81 1xe3 s GLU 34 N -2.21 2.74 -1.30 1.70 0.41 -0.46 -4.70 118.70 114.87 1xe3 s GLU 34 Ca 0.21 -1.03 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 1xe3 s GLU 34 Cb -0.11 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1xe3 s GLU 34 CO 0.14 0.44 0.55 -0.25 -0.49 0.00 0.00 175.26 175.65 1xe3 n ASP 35 N -0.60 -2.32 -4.77 -0.19 8.00 -1.26 -0.86 116.55 114.54 1xe3 n ASP 35 Ca -0.08 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 53.97 1xe3 n ASP 35 Cb 0.56 -2.96 -0.06 0.00 -0.02 0.00 0.00 41.12 38.65 1xe3 n ASP 35 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xe3 s VAL 36 N -3.77 4.69 0.02 2.53 0.11 -1.26 -4.49 120.40 118.23 1xe3 s VAL 36 Ca 0.21 1.46 0.05 0.00 -2.93 0.00 0.00 61.98 60.76 1xe3 s VAL 36 Cb -0.09 -4.02 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1xe3 s VAL 36 CO 0.89 0.46 -0.11 -0.89 -3.33 0.00 0.00 175.10 172.12 1xe3 s THR 37 N -0.59 3.34 -0.42 5.04 2.01 0.07 -4.97 115.64 120.12 1xe3 s THR 37 Ca 0.34 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1xe3 s THR 37 Cb -0.20 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1xe3 s THR 37 CO 0.21 0.37 0.29 0.00 -0.69 0.00 0.00 174.62 174.81 1xe3 n TYR 39 N 5.10 0.00 -3.73 0.00 0.18 -0.32 -4.89 117.16 113.49 1xe3 n TYR 39 Ca -0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.54 1xe3 n TYR 39 Cb 0.45 -0.16 -0.14 0.00 -0.38 0.00 0.00 39.34 39.12 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 -2.99 -0.17 -0.06 9.48 2.47 -1.21 -3.31 114.94 119.16 1xe3 s ASN 40 Ca 0.10 0.43 0.09 0.00 0.42 0.00 0.00 52.86 53.90 1xe3 s ASN 40 Cb 0.17 0.31 0.16 0.00 -1.45 0.00 0.00 41.25 40.44 1xe3 s ASN 40 CO 0.76 -0.16 1.08 -3.20 -3.72 0.00 0.00 177.10 171.85 1xe3 n ASN 41 N 4.26 0.98 -4.71 -4.21 5.15 -1.26 -2.83 115.26 112.65 1xe3 n ASN 41 Ca -0.25 -2.48 -0.42 0.00 -0.60 0.00 0.00 54.58 50.83 1xe3 n ASN 41 Cb 0.52 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 1xe3 n ASN 41 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xe3 s VAL 42 N -1.17 3.68 -1.36 3.44 0.11 -1.26 -2.16 120.40 121.68 1xe3 s VAL 42 Ca 0.16 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1xe3 s VAL 42 Cb 0.15 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1xe3 s VAL 42 CO -0.01 0.09 0.00 0.54 -3.33 0.00 0.00 175.10 172.39 1xe3 n ARG 43 N 4.04 -1.53 -1.16 1.54 1.74 -1.26 -1.53 116.66 118.50 1xe3 n ARG 43 Ca 0.10 0.94 -0.06 0.00 -0.77 0.00 0.00 57.85 58.07 1xe3 n ARG 43 Cb 0.44 -5.29 -0.02 0.00 -1.02 0.00 0.00 32.46 26.57 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 -0.14 0.68 3.31 -0.13 0.00 -0.92 -4.92 105.19 103.07 1xe3 n GLY 44 Ca -0.13 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.15 3.45 -1.80 1.61 0.00 -0.58 -4.82 117.12 113.83 1xe3 n MET 45 Ca -0.06 -3.81 -0.41 0.00 0.00 0.00 0.00 57.70 53.43 1xe3 n MET 45 Cb 0.40 -2.99 -0.01 0.00 0.00 0.00 0.00 33.22 30.62 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 0.99 4.33 0.00 -0.89 1.43 -1.26 -4.60 118.68 118.68 1xe3 s LEU 46 Ca 0.41 3.02 -0.00 0.00 -1.03 0.00 0.00 54.13 56.53 1xe3 s LEU 46 Cb 0.00 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 1xe3 s LEU 46 CO 0.00 -0.88 0.00 -0.83 0.23 0.00 0.00 176.35 174.88 1xe3 s GLY 47 N 0.00 0.04 0.06 -3.19 0.00 -1.13 -1.67 107.32 101.43 1xe3 s GLY 47 Ca 0.55 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1xe3 s GLY 47 CO 0.59 -0.10 -0.09 -1.36 0.00 0.00 0.00 173.10 172.14 1xe3 s PHE 48 N -0.25 0.83 -0.04 1.90 0.40 0.27 -1.18 117.98 119.91 1xe3 s PHE 48 Ca -0.03 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1xe3 s PHE 48 Cb -0.02 -0.48 -0.00 0.00 0.51 0.00 0.00 43.02 43.03 1xe3 s PHE 48 CO -0.00 -0.06 -0.16 0.99 0.70 0.00 0.00 175.22 176.69 1xe3 s THR 49 N -1.77 1.36 0.00 0.64 2.01 -0.25 -0.74 115.64 116.90 1xe3 s THR 49 Ca -0.04 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1xe3 s THR 49 Cb -0.07 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1xe3 s THR 49 CO 0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1xe3 n GLY 50 N 3.11 3.70 3.40 4.40 0.00 -0.37 -0.75 105.19 118.69 1xe3 n GLY 50 Ca -0.18 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1xe3 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xe3 s THR 51 N -2.24 2.54 -0.13 2.61 -4.23 -0.04 -1.18 115.64 112.98 1xe3 s THR 51 Ca 0.00 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1xe3 s THR 51 Cb 0.00 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1xe3 s THR 51 CO 0.00 0.48 -0.17 -0.47 -0.54 0.00 0.00 174.62 173.92 1xe3 s TYR 52 N -0.76 2.26 -1.43 3.99 5.04 0.13 -1.36 117.35 125.21 1xe3 s TYR 52 Ca 0.12 -1.13 -0.02 0.00 -2.44 0.00 0.00 57.07 53.60 1xe3 s TYR 52 Cb -0.10 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.63 1xe3 s TYR 52 CO 0.02 -0.56 0.47 1.63 -1.34 0.00 0.00 175.55 175.77 1xe3 n LYS 53 N 4.24 -3.38 -0.04 4.97 5.02 -1.26 -0.46 118.16 127.25 1xe3 n LYS 53 Ca -0.19 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1xe3 n LYS 53 Cb 0.51 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 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 -1.92 2.15 3.67 0.72 0.00 -1.26 -4.99 105.19 103.57 1xe3 n GLY 54 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.01 3.06 0.12 1.61 -0.14 0.39 -5.00 119.74 119.76 1xe3 s LYS 55 Ca 0.00 -0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 53.90 1xe3 s LYS 55 Cb 0.00 -2.82 -0.07 0.00 -1.68 0.00 0.00 37.83 33.27 1xe3 s LYS 55 CO 0.00 0.66 1.18 0.50 -0.76 0.00 0.00 175.35 176.93 1xe3 s ARG 56 N -0.77 4.48 0.01 1.68 3.52 -1.26 0.19 118.95 126.79 1xe3 s ARG 56 Ca 0.12 1.79 -0.17 0.00 -0.13 0.00 0.00 55.73 57.34 1xe3 s ARG 56 Cb -0.12 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1xe3 s ARG 56 CO 0.02 -0.15 0.37 0.54 -0.81 0.00 0.00 175.30 175.27 1xe3 s VAL 57 N 0.52 0.06 0.40 7.11 0.11 -0.32 -4.71 120.40 123.56 1xe3 s VAL 57 Ca 0.55 -0.46 0.07 0.00 -2.93 0.00 0.00 61.98 59.21 1xe3 s VAL 57 Cb -0.30 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 1xe3 s VAL 57 CO 0.32 -0.26 0.03 -0.44 -3.33 0.00 0.00 175.10 171.43 1xe3 s SER 58 N -1.63 3.97 -0.14 3.54 0.01 -0.71 -1.23 113.70 117.51 1xe3 s SER 58 Ca -0.10 -1.29 -0.06 0.00 1.31 0.00 0.00 55.95 55.81 1xe3 s SER 58 Cb -0.03 -0.41 0.06 0.00 0.21 0.00 0.00 66.02 65.85 1xe3 s SER 58 CO 0.02 -0.44 0.31 -0.69 0.41 0.00 0.00 173.24 172.85 1xe3 s VAL 59 N -2.68 -0.29 -0.07 3.43 1.01 0.09 -1.54 120.40 120.34 1xe3 s VAL 59 Ca 0.36 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1xe3 s VAL 59 Cb 0.08 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1xe3 s VAL 59 CO 0.19 0.08 -0.05 -1.58 0.00 0.00 0.00 175.10 173.74 1xe3 s GLN 60 N 1.98 1.02 0.36 2.72 2.00 -0.55 -0.57 119.66 126.63 1xe3 s GLN 60 Ca -0.04 -0.10 -0.27 0.00 -2.00 0.00 0.00 55.36 52.94 1xe3 s GLN 60 Cb -0.11 -1.13 -0.12 0.00 0.80 0.00 0.00 33.01 32.46 1xe3 s GLN 60 CO -0.10 -0.19 1.31 0.41 -0.50 0.00 0.00 175.29 176.22 1xe3 n GLY 61 N 4.60 0.64 0.00 2.59 0.00 -0.67 -3.38 105.19 108.98 1xe3 n GLY 61 Ca -0.16 0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1xe3 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xe3 n THR 62 N 0.23 0.00 -4.11 2.61 -2.24 -0.38 -4.86 114.28 105.54 1xe3 n THR 62 Ca 0.05 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1xe3 n THR 62 Cb 0.37 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.73 -1.62 3.61 3.38 0.00 0.00 -3.35 105.19 108.95 1xe3 n GLY 63 Ca -0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.15 3.18 0.00 1.61 -1.94 -1.26 -4.65 119.30 116.10 1xe3 s MET 64 Ca 0.00 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1xe3 s MET 64 Cb 0.00 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 34.03 1xe3 s MET 64 CO 0.00 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 175.97 1xe3 n GLY 65 N 2.61 0.64 0.16 -0.03 0.00 -1.25 -4.41 105.19 102.91 1xe3 n GLY 65 Ca -0.18 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 0.71 -0.75 1.61 2.07 -1.73 -2.74 116.25 115.43 1xe3 h VAL 66 Ca 0.00 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1xe3 h VAL 66 Cb 0.00 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1xe3 h VAL 66 CO 0.00 0.02 0.37 -0.65 0.02 0.00 0.00 177.57 177.33 1xe3 h PRO 67 N 0.09 1.05 0.22 1.57 0.11 -1.91 -0.83 132.00 132.31 1xe3 h PRO 67 Ca 0.18 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1xe3 h PRO 67 Cb 0.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1xe3 h PRO 67 CO -0.31 0.80 -0.10 1.03 -0.21 0.00 0.00 178.00 179.20 1xe3 h SER 68 N 1.05 -0.25 -0.61 -2.05 0.87 -1.74 -2.96 113.55 107.87 1xe3 h SER 68 Ca 0.26 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1xe3 h SER 68 Cb 0.08 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1xe3 h SER 68 CO -0.04 0.21 0.40 -0.29 -0.53 0.00 0.00 176.83 176.59 1xe3 h ILE 69 N -0.78 1.06 -0.53 2.23 2.10 -1.48 -2.70 117.51 117.41 1xe3 h ILE 69 Ca -0.03 -0.24 0.03 0.00 1.08 0.00 0.00 64.86 65.71 1xe3 h ILE 69 Cb 0.51 0.31 -0.04 0.00 -1.09 0.00 0.00 36.82 36.51 1xe3 h ILE 69 CO 0.05 0.13 0.30 0.28 -1.08 0.00 0.00 178.15 177.82 1xe3 h SER 70 N 0.69 0.46 -0.22 2.19 0.02 -1.15 -0.24 113.55 115.30 1xe3 h SER 70 Ca 0.25 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1xe3 h SER 70 Cb 0.12 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1xe3 h SER 70 CO -0.07 0.32 -0.10 0.40 -1.14 0.00 0.00 176.83 176.24 1xe3 h ILE 71 N 0.59 0.68 -0.38 3.27 2.04 -1.31 -1.01 117.51 121.40 1xe3 h ILE 71 Ca 0.22 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.00 1xe3 h ILE 71 Cb 0.08 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1xe3 h ILE 71 CO -0.12 0.00 -0.11 1.88 0.00 0.00 0.00 178.15 179.80 1xe3 h TYR 72 N -0.07 0.84 -0.44 1.37 -1.99 -1.37 -2.12 116.97 113.19 1xe3 h TYR 72 Ca 0.12 -0.18 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1xe3 h TYR 72 Cb 0.24 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1xe3 h TYR 72 CO -0.27 0.89 0.15 0.28 -0.00 0.00 0.00 178.16 179.21 1xe3 h VAL 73 N 0.54 1.22 -0.23 -2.88 2.07 -1.00 0.11 116.25 116.07 1xe3 h VAL 73 Ca 0.09 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1xe3 h VAL 73 Cb 0.63 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1xe3 h VAL 73 CO 0.04 0.25 -0.03 0.78 0.02 0.00 0.00 177.57 178.64 1xe3 h ASN 74 N 0.57 -0.15 -0.35 0.57 4.21 -1.14 -1.33 115.58 117.97 1xe3 h ASN 74 Ca 0.14 0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.59 1xe3 h ASN 74 Cb 0.24 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1xe3 h ASN 74 CO -0.01 -0.05 -0.27 -0.33 -1.29 0.00 0.00 177.43 175.49 1xe3 h GLU 75 N 0.04 0.79 -0.21 0.81 5.08 -1.29 0.64 114.58 120.44 1xe3 h GLU 75 Ca 0.11 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1xe3 h GLU 75 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xe3 h GLU 75 CO -0.21 1.02 0.10 -0.07 -1.00 0.00 0.00 179.01 178.85 1xe3 h LEU 76 N 0.58 0.14 0.26 1.33 3.38 -0.67 -1.03 115.31 119.30 1xe3 h LEU 76 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xe3 h LEU 76 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xe3 h LEU 76 CO 0.07 0.11 -0.13 0.40 0.09 0.00 0.00 178.44 178.99 1xe3 h ILE 77 N 0.22 0.79 0.00 1.22 2.04 -1.25 -2.55 117.51 117.98 1xe3 h ILE 77 Ca 0.09 -0.52 -0.24 0.00 1.00 0.00 0.00 64.86 65.18 1xe3 h ILE 77 Cb 0.03 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xe3 h ILE 77 CO -0.07 0.11 -0.98 1.56 0.00 0.00 0.00 178.15 178.77 1xe3 h GLN 78 N -0.63 0.51 0.00 2.37 1.08 -0.90 -3.22 115.11 114.32 1xe3 h GLN 78 Ca -0.04 -0.55 -0.13 0.00 -1.45 0.00 0.00 58.65 56.48 1xe3 h GLN 78 Cb 0.45 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1xe3 h GLN 78 CO 0.06 1.18 -2.01 0.43 -0.95 0.00 0.00 178.83 177.54 1xe3 n SER 79 N -3.78 0.13 0.00 1.46 7.64 -0.39 -4.62 113.62 114.05 1xe3 n SER 79 Ca -0.08 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1xe3 n SER 79 Cb 0.85 1.43 0.00 0.00 -1.01 0.00 0.00 64.21 65.49 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 -2.49 0.00 -1.83 1.43 4.01 -0.99 -4.99 117.16 112.31 1xe3 n TYR 80 Ca -0.13 -0.30 -0.18 0.00 -0.16 0.00 0.00 57.90 57.12 1xe3 n TYR 80 Cb 0.78 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.30 0.96 3.74 2.72 0.00 -1.16 -4.88 105.19 106.26 1xe3 n GLY 81 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.75 3.34 -0.02 1.61 1.01 -1.06 -4.75 120.40 117.78 1xe3 s VAL 82 Ca 0.00 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.13 1xe3 s VAL 82 Cb 0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xe3 s VAL 82 CO 0.00 0.17 0.04 0.29 0.00 0.00 0.00 175.10 175.60 1xe3 n LYS 83 N 2.61 2.21 -4.18 2.72 4.76 0.26 -4.51 118.16 122.03 1xe3 n LYS 83 Ca 0.06 -0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.21 1xe3 n LYS 83 Cb 0.43 -1.09 -0.17 0.00 -1.84 0.00 0.00 35.03 32.36 1xe3 n LYS 83 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xe3 s ASN 84 N -3.09 2.18 -0.15 4.39 0.01 -0.81 -0.92 114.94 116.54 1xe3 s ASN 84 Ca -0.02 -0.34 -0.01 0.00 -0.71 0.00 0.00 52.86 51.78 1xe3 s ASN 84 Cb 0.02 -0.92 0.04 0.00 0.41 0.00 0.00 41.25 40.80 1xe3 s ASN 84 CO 0.15 -0.05 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.91 1xe3 s LEU 85 N 1.29 1.35 -0.24 0.60 1.02 0.07 -1.66 118.68 121.11 1xe3 s LEU 85 Ca -0.02 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 53.57 1xe3 s LEU 85 Cb -0.14 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.35 1xe3 s LEU 85 CO -0.04 -0.21 -0.13 -0.63 0.02 0.00 0.00 176.35 175.36 1xe3 s ILE 86 N 1.73 2.15 0.20 -0.59 1.01 -0.32 -1.87 121.20 123.51 1xe3 s ILE 86 Ca 0.01 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 58.92 1xe3 s ILE 86 Cb -0.15 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.07 1xe3 s ILE 86 CO -0.07 0.13 1.14 -0.60 0.00 0.00 0.00 174.94 175.54 1xe3 s ARG 87 N 1.15 4.55 0.09 2.79 3.52 0.03 -0.33 118.95 130.76 1xe3 s ARG 87 Ca -0.05 1.81 0.04 0.00 -0.13 0.00 0.00 55.73 57.40 1xe3 s ARG 87 Cb -0.18 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1xe3 s ARG 87 CO -0.07 0.03 -0.11 0.14 -0.81 0.00 0.00 175.30 174.47 1xe3 s VAL 88 N -0.36 0.99 -5.00 7.11 -7.23 -1.16 -1.11 120.40 113.64 1xe3 s VAL 88 Ca 0.50 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1xe3 s VAL 88 Cb -0.31 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1xe3 s VAL 88 CO 0.37 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1xe3 n GLY 89 N 0.85 -0.16 3.66 2.32 0.00 -1.20 -4.12 105.19 106.54 1xe3 n GLY 89 Ca -0.18 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.75 2.19 0.18 2.61 -4.23 -1.26 -0.57 115.64 110.81 1xe3 s THR 90 Ca 0.00 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1xe3 s THR 90 Cb 0.00 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1xe3 s THR 90 CO 0.00 -0.03 0.35 0.00 -0.54 0.00 0.00 174.62 174.40 1xe3 s GLY 92 N -2.96 1.79 0.32 0.00 0.00 -0.99 -1.94 107.32 103.53 1xe3 s GLY 92 Ca 0.17 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 1xe3 s GLY 92 CO 0.01 0.50 1.20 0.00 0.00 0.00 0.00 173.10 174.82 1xe3 s ALA 93 N 1.53 3.42 0.00 3.20 0.00 0.83 -0.75 121.76 129.98 1xe3 s ALA 93 Ca 0.06 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1xe3 s ALA 93 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1xe3 s ALA 93 CO 0.04 -0.42 0.00 0.44 0.00 0.00 0.00 175.76 175.83 1xe3 n ILE 94 N 0.88 0.00 -3.28 0.00 -5.35 -0.66 -0.82 119.36 110.13 1xe3 n ILE 94 Ca -0.00 -0.30 -0.35 0.00 -0.27 0.00 0.00 62.75 61.83 1xe3 n ILE 94 Cb 0.44 0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 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 -0.70 4.03 0.46 6.28 -0.44 -1.16 -4.53 119.66 123.59 1xe3 s GLN 95 Ca 0.00 0.57 0.18 0.00 -2.50 0.00 0.00 55.36 53.61 1xe3 s GLN 95 Cb 0.00 -2.83 1.09 0.00 -1.64 0.00 0.00 33.01 29.63 1xe3 s GLN 95 CO 0.00 0.40 2.00 1.57 0.50 0.00 0.00 175.29 179.76 1xe3 h LYS 96 N 3.26 0.00 -0.08 1.67 2.10 -1.92 -2.60 116.57 119.00 1xe3 h LYS 96 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1xe3 h LYS 96 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xe3 h LYS 96 CO 0.66 0.19 0.00 -0.25 -2.00 0.00 0.00 179.45 178.05 1xe3 n ASP 97 N -4.12 2.69 -4.80 7.07 8.00 -1.26 -4.94 116.55 119.19 1xe3 n ASP 97 Ca -0.02 -1.82 -0.38 0.00 0.71 0.00 0.00 54.79 53.28 1xe3 n ASP 97 Cb 0.26 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1xe3 n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xe3 s VAL 98 N -1.54 4.56 0.14 2.53 1.01 -0.98 -5.07 120.40 121.05 1xe3 s VAL 98 Ca 0.24 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.68 1xe3 s VAL 98 Cb 0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1xe3 s VAL 98 CO 0.24 0.39 -0.18 -0.54 0.00 0.00 0.00 175.10 175.02 1xe3 s LYS 99 N -1.50 1.17 0.47 2.72 -0.14 -1.26 -4.89 119.74 116.30 1xe3 s LYS 99 Ca 0.37 -1.29 -0.23 0.00 -1.36 0.00 0.00 55.97 53.46 1xe3 s LYS 99 Cb -0.19 -1.24 -0.09 0.00 -1.68 0.00 0.00 37.83 34.63 1xe3 s LYS 99 CO 0.22 0.26 1.13 1.33 -0.76 0.00 0.00 175.35 177.54 1xe3 n VAL 100 N 0.59 2.88 0.00 3.17 0.24 -1.26 -1.93 118.33 122.02 1xe3 n VAL 100 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1xe3 n VAL 100 Cb 0.56 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 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 -0.24 0.00 -1.95 7.34 1.74 0.97 -4.96 116.66 119.55 1xe3 n ARG 101 Ca 0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 1xe3 n ARG 101 Cb 0.41 -1.23 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 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 -3.28 5.80 -0.20 0.55 1.01 -0.81 -4.70 116.67 115.04 1xe3 s ASP 102 Ca 0.00 2.66 -0.05 0.00 0.71 0.00 0.00 52.55 55.87 1xe3 s ASP 102 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1xe3 s ASP 102 CO 0.00 -1.20 0.01 0.68 0.21 0.00 0.00 175.17 174.86 1xe3 s VAL 103 N -1.33 4.06 -0.19 -1.27 -7.23 -0.62 -0.84 120.40 112.98 1xe3 s VAL 103 Ca 0.65 -0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 60.39 1xe3 s VAL 103 Cb -0.38 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1xe3 s VAL 103 CO 0.47 0.43 0.35 -0.63 -0.31 0.00 0.00 175.10 175.41 1xe3 s ILE 104 N 0.90 5.24 -0.32 -0.62 -1.09 0.10 -0.77 121.20 124.63 1xe3 s ILE 104 Ca 0.01 0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 59.00 1xe3 s ILE 104 Cb -0.14 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1xe3 s ILE 104 CO 0.02 0.30 0.09 -0.63 -1.23 0.00 0.00 174.94 173.49 1xe3 s ILE 105 N 1.04 3.76 -0.26 2.92 1.01 -0.47 -0.94 121.20 128.27 1xe3 s ILE 105 Ca 0.18 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 1xe3 s ILE 105 Cb -0.14 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 1xe3 s ILE 105 CO 0.07 -0.10 1.33 0.00 0.00 0.00 0.00 174.94 176.24 1xe3 s ALA 106 N 1.42 3.43 0.14 9.38 0.00 -1.01 -2.67 121.76 132.45 1xe3 s ALA 106 Ca -0.01 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1xe3 s ALA 106 Cb -0.19 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1xe3 s ALA 106 CO 0.02 -1.65 1.48 1.98 0.00 0.00 0.00 175.76 177.60 1xe3 h MET 107 N 9.18 0.92 -3.87 0.00 4.05 -0.92 -3.41 114.93 120.88 1xe3 h MET 107 Ca -0.27 -0.47 -0.21 0.00 -0.28 0.00 0.00 59.70 58.47 1xe3 h MET 107 Cb 1.10 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.85 1xe3 h MET 107 CO 1.01 1.13 -0.10 0.99 0.23 0.00 0.00 176.91 180.17 1xe3 s THR 108 N -4.44 0.00 -0.01 -0.77 2.01 -1.25 -1.51 115.64 109.67 1xe3 s THR 108 Ca -0.11 -1.47 0.02 0.00 0.31 0.00 0.00 61.69 60.44 1xe3 s THR 108 Cb 0.11 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 1xe3 s THR 108 CO 0.87 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 174.73 1xe3 s ALA 109 N -3.02 0.63 0.52 7.40 0.00 -1.26 -2.55 121.76 123.49 1xe3 s ALA 109 Ca 0.27 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 1xe3 s ALA 109 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1xe3 s ALA 109 CO 0.17 0.15 0.83 0.00 0.00 0.00 0.00 175.76 176.92 1xe3 s THR 111 N -2.84 0.01 -2.21 0.00 -1.32 -1.26 -0.50 115.64 107.52 1xe3 s THR 111 Ca 0.50 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 61.17 1xe3 s THR 111 Cb -0.10 -0.94 0.33 0.00 -1.51 0.00 0.00 72.50 70.27 1xe3 s THR 111 CO 0.45 -0.04 1.54 -0.90 -2.21 0.00 0.00 174.62 173.46 1xe3 n ASP 112 N 1.03 1.56 -4.74 8.08 5.75 -1.24 -4.96 116.55 122.03 1xe3 n ASP 112 Ca -0.19 -1.32 -0.38 0.00 -0.01 0.00 0.00 54.79 52.89 1xe3 n ASP 112 Cb 0.57 0.11 0.06 0.00 -1.03 0.00 0.00 41.12 40.83 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 -2.26 4.91 0.00 -1.12 0.15 -1.26 -4.85 113.70 109.28 1xe3 s SER 113 Ca 0.29 2.70 0.25 0.00 0.70 0.00 0.00 55.95 59.89 1xe3 s SER 113 Cb 0.20 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.44 1xe3 s SER 113 CO 0.43 -1.80 1.47 -3.20 1.20 0.00 0.00 173.24 171.34 1xe3 n ASN 114 N -1.49 2.42 -0.31 5.45 5.15 -1.26 -4.62 115.26 120.60 1xe3 n ASN 114 Ca 0.13 -1.80 0.03 0.00 -0.60 0.00 0.00 54.58 52.34 1xe3 n ASN 114 Cb 0.47 -0.04 0.17 0.00 -0.53 0.00 0.00 39.78 39.85 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 3.66 0.85 0.02 1.20 -0.00 -2.00 -2.21 114.93 116.45 1xe3 h MET 115 Ca 0.00 -0.05 -0.28 0.00 -0.00 0.00 0.00 59.70 59.37 1xe3 h MET 115 Cb 0.78 -0.19 -0.04 0.00 -0.00 0.00 0.00 31.60 32.15 1xe3 h MET 115 CO 0.00 0.56 -1.55 -0.91 -0.00 0.00 0.00 176.91 175.02 1xe3 h ASN 116 N 0.88 0.07 -0.18 -0.10 -0.26 -1.98 -3.14 115.58 110.86 1xe3 h ASN 116 Ca 0.40 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 1xe3 h ASN 116 Cb 0.32 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1xe3 h ASN 116 CO -0.23 1.10 0.09 0.03 -1.06 0.00 0.00 177.43 177.36 1xe3 h ARG 117 N 0.01 0.31 -0.35 0.81 2.47 -1.79 0.14 114.38 115.99 1xe3 h ARG 117 Ca -0.23 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.30 1xe3 h ARG 117 Cb 1.96 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 30.21 1xe3 h ARG 117 CO 0.10 0.27 -0.42 1.25 0.56 0.00 0.00 179.97 181.73 1xe3 h LEU 118 N 0.32 0.94 -0.13 3.04 7.12 -1.49 -2.99 115.31 122.10 1xe3 h LEU 118 Ca 0.08 -0.44 -0.24 0.00 0.13 0.00 0.00 57.88 57.41 1xe3 h LEU 118 Cb 0.07 -0.27 0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1xe3 h LEU 118 CO -0.01 1.23 -0.93 0.74 -0.13 0.00 0.00 178.44 179.34 1xe3 h THR 119 N 0.71 1.33 -2.50 1.05 2.02 -1.33 -3.38 112.91 110.81 1xe3 h THR 119 Ca 0.05 -2.25 -0.60 0.00 0.77 0.00 0.00 66.41 64.38 1xe3 h THR 119 Cb 1.00 2.29 -0.41 0.00 -1.74 0.00 0.00 68.15 69.29 1xe3 h THR 119 CO 0.10 0.69 -0.74 0.49 0.37 0.00 0.00 175.52 176.43 1xe3 n PHE 120 N -3.83 2.04 -1.72 3.16 3.01 0.44 -5.10 117.46 115.47 1xe3 n PHE 120 Ca -0.08 -3.96 -0.43 0.00 1.01 0.00 0.00 57.45 53.99 1xe3 n PHE 120 Cb 0.82 -0.40 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 1xe3 n PHE 120 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1xe3 n PRO 121 N 1.67 2.64 -0.16 -1.08 -0.02 -1.13 -1.58 135.00 135.34 1xe3 n PRO 121 Ca 0.25 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1xe3 n PRO 121 Cb 0.42 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1xe3 n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xe3 n GLY 122 N 3.27 1.75 3.68 -1.23 0.00 -1.26 -5.03 105.19 106.36 1xe3 n GLY 122 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 2.99 -0.37 1.61 0.40 -0.62 -5.10 117.98 114.06 1xe3 s PHE 123 Ca 0.00 -0.01 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 1xe3 s PHE 123 Cb 0.00 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1xe3 s PHE 123 CO 0.00 0.47 0.57 -0.51 0.70 0.00 0.00 175.22 176.45 1xe3 s ASP 124 N -2.10 6.35 -0.26 1.36 1.11 -1.26 -4.72 116.67 117.15 1xe3 s ASP 124 Ca 0.24 -0.03 -0.21 0.00 0.18 0.00 0.00 52.55 52.73 1xe3 s ASP 124 Cb -0.12 -2.30 -0.02 0.00 1.07 0.00 0.00 42.92 41.56 1xe3 s ASP 124 CO 0.16 -0.57 0.65 0.12 1.18 0.00 0.00 175.17 176.71 1xe3 s PHE 125 N 2.56 3.28 -0.51 4.23 5.36 -1.26 -5.03 117.98 126.61 1xe3 s PHE 125 Ca 0.21 0.84 -0.14 0.00 -0.96 0.00 0.00 56.93 56.88 1xe3 s PHE 125 Cb -0.15 -2.87 0.12 0.00 -0.34 0.00 0.00 43.02 39.78 1xe3 s PHE 125 CO 0.15 -0.34 0.44 0.00 -1.46 0.00 0.00 175.22 174.01 1xe3 s ALA 126 N 2.54 3.57 0.36 11.12 0.00 -1.26 -5.01 121.76 133.08 1xe3 s ALA 126 Ca 0.27 -2.46 -0.25 0.00 0.00 0.00 0.00 51.96 49.52 1xe3 s ALA 126 Cb -0.15 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1xe3 s ALA 126 CO 0.08 -1.94 0.97 -1.25 0.00 0.00 0.00 175.76 173.63 1xe3 s PRO 127 N 1.55 4.42 -0.02 0.00 0.04 -1.26 -5.02 135.00 134.70 1xe3 s PRO 127 Ca 0.04 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.49 1xe3 s PRO 127 Cb -0.28 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1xe3 s PRO 127 CO 0.03 0.12 -0.26 0.00 0.04 0.00 0.00 177.00 176.93 1xe3 s ALA 128 N -1.73 2.14 0.55 8.56 0.00 -1.26 -3.98 121.76 126.05 1xe3 s ALA 128 Ca 0.54 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1xe3 s ALA 128 Cb -0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1xe3 s ALA 128 CO 0.23 0.52 1.25 0.00 0.00 0.00 0.00 175.76 177.76 1xe3 s ALA 129 N -0.59 2.71 0.03 0.00 0.00 -0.57 -4.89 121.76 118.44 1xe3 s ALA 129 Ca 0.10 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 1xe3 s ALA 129 Cb -0.10 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 1xe3 s ALA 129 CO -0.01 -1.14 1.94 -1.71 0.00 0.00 0.00 175.76 174.84 1xe3 n ASN 130 N -1.20 4.01 -0.19 0.00 5.15 -0.43 -4.91 115.26 117.69 1xe3 n ASN 130 Ca 0.11 0.93 -0.09 0.00 -0.60 0.00 0.00 54.58 54.94 1xe3 n ASN 130 Cb 0.48 -1.50 0.05 0.00 -0.53 0.00 0.00 39.78 38.28 1xe3 n ASN 130 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1xe3 h PHE 131 N 10.03 1.12 -0.31 1.20 3.57 -1.93 -1.40 116.94 129.23 1xe3 h PHE 131 Ca -0.49 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 60.81 1xe3 h PHE 131 Cb 1.24 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1xe3 h PHE 131 CO 0.92 1.00 0.19 0.22 -2.23 0.00 0.00 178.31 178.41 1xe3 h ASP 132 N 0.92 0.37 -0.57 0.41 1.82 -1.98 0.19 116.42 117.58 1xe3 h ASP 132 Ca 0.16 -0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1xe3 h ASP 132 Cb 0.59 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 1xe3 h ASP 132 CO 0.04 0.30 0.35 -0.07 -1.61 0.00 0.00 179.24 178.24 1xe3 h LEU 133 N 0.40 0.58 -0.43 2.28 3.38 -1.90 -2.18 115.31 117.44 1xe3 h LEU 133 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xe3 h LEU 133 Cb -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xe3 h LEU 133 CO -0.02 0.41 0.13 0.25 0.09 0.00 0.00 178.44 179.30 1xe3 h LEU 134 N 0.70 0.63 -0.68 1.67 6.46 -0.65 -1.79 115.31 121.65 1xe3 h LEU 134 Ca 0.23 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1xe3 h LEU 134 Cb 0.00 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1xe3 h LEU 134 CO -0.09 0.67 0.18 0.50 -0.62 0.00 0.00 178.44 179.08 1xe3 h LYS 135 N 0.56 1.08 -0.26 1.25 3.64 -0.59 -0.23 116.57 122.02 1xe3 h LYS 135 Ca 0.14 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xe3 h LYS 135 Cb 0.27 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1xe3 h LYS 135 CO -0.00 0.95 0.04 0.87 -2.27 0.00 0.00 179.45 179.03 1xe3 h LYS 136 N 1.01 0.12 -0.11 1.90 1.57 -1.13 -0.42 116.57 119.51 1xe3 h LYS 136 Ca 0.21 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1xe3 h LYS 136 Cb 0.35 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1xe3 h LYS 136 CO -0.00 0.08 0.03 0.00 -0.57 0.00 0.00 179.45 178.99 1xe3 h ALA 137 N 1.20 0.15 -0.11 3.86 0.00 -1.22 -0.68 119.26 122.46 1xe3 h ALA 137 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xe3 h ALA 137 Cb 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1xe3 h ALA 137 CO -0.17 -0.22 -0.25 -0.92 0.00 0.00 0.00 179.25 177.69 1xe3 h TYR 138 N -0.02 -0.66 -0.93 0.00 3.20 -0.91 0.12 116.97 117.77 1xe3 h TYR 138 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1xe3 h TYR 138 Cb 0.25 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1xe3 h TYR 138 CO 0.01 -0.33 0.55 -0.44 -1.64 0.00 0.00 178.16 176.30 1xe3 h ASP 139 N -0.33 1.12 -0.38 -2.11 3.32 -1.05 0.11 116.42 117.11 1xe3 h ASP 139 Ca 0.09 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1xe3 h ASP 139 Cb 0.46 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1xe3 h ASP 139 CO -0.30 0.87 -0.03 0.00 -1.72 0.00 0.00 179.24 178.06 1xe3 h ALA 140 N 1.30 0.51 -0.55 3.45 0.00 -0.70 -1.84 119.26 121.44 1xe3 h ALA 140 Ca 0.33 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xe3 h ALA 140 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xe3 h ALA 140 CO -0.06 0.32 -0.07 0.78 0.00 0.00 0.00 179.25 180.21 1xe3 h GLY 141 N 0.50 1.10 1.14 0.00 0.00 -0.40 -2.38 103.07 103.04 1xe3 h GLY 141 Ca 0.10 -0.85 -0.17 0.00 0.00 0.00 0.00 47.33 46.41 1xe3 h GLY 141 CO 0.03 0.78 -0.43 -0.91 0.00 0.00 0.00 176.54 176.01 1xe3 h THR 142 N 0.91 1.27 -0.62 4.70 1.35 -0.76 -1.44 112.91 118.32 1xe3 h THR 142 Ca 0.15 -1.61 0.05 0.00 -0.55 0.00 0.00 66.41 64.45 1xe3 h THR 142 Cb 0.63 1.45 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 1xe3 h THR 142 CO 0.04 0.54 0.41 -0.08 -0.25 0.00 0.00 175.52 176.18 1xe3 h GLU 143 N 0.74 0.63 0.00 4.72 4.57 -1.29 -1.92 114.58 122.03 1xe3 h GLU 143 Ca 0.05 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1xe3 h GLU 143 Cb 1.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1xe3 h GLU 143 CO 0.10 0.42 -0.43 0.87 -1.18 0.00 0.00 179.01 178.79 1xe3 h LYS 144 N 0.65 0.00 0.00 1.92 1.79 -1.15 -3.48 116.57 116.30 1xe3 h LYS 144 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1xe3 h LYS 144 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1xe3 h LYS 144 CO -0.08 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.14 1xe3 n GLY 145 N 0.51 0.87 3.76 3.86 0.00 -0.61 -5.07 105.19 108.51 1xe3 n GLY 145 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.87 -1.13 0.99 1.43 -0.81 -4.93 118.68 118.10 1xe3 s LEU 146 Ca 0.00 2.43 -0.18 0.00 -1.03 0.00 0.00 54.13 55.35 1xe3 s LEU 146 Cb 0.00 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 41.97 1xe3 s LEU 146 CO 0.00 -1.27 1.44 -1.00 0.23 0.00 0.00 176.35 175.75 1xe3 s HIS 147 N -1.52 3.06 -0.18 0.29 3.76 -1.26 -4.63 115.29 114.81 1xe3 s HIS 147 Ca 0.70 -1.60 -0.20 0.00 -0.15 0.00 0.00 55.06 53.81 1xe3 s HIS 147 Cb -0.31 -4.48 -0.03 0.00 1.11 0.00 0.00 32.58 28.86 1xe3 s HIS 147 CO 0.37 -1.62 0.59 0.54 -0.85 0.00 0.00 174.74 173.77 1xe3 s VAL 148 N 3.11 5.06 -0.20 -0.90 0.11 -1.26 -1.59 120.40 124.72 1xe3 s VAL 148 Ca 0.44 1.13 -0.03 0.00 -2.93 0.00 0.00 61.98 60.59 1xe3 s VAL 148 Cb -0.01 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.92 1xe3 s VAL 148 CO -0.02 0.16 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.70 1xe3 s ARG 149 N 1.59 3.31 -0.24 1.54 1.81 0.05 -4.97 118.95 122.04 1xe3 s ARG 149 Ca 0.28 -0.67 -0.10 0.00 -1.72 0.00 0.00 55.73 53.53 1xe3 s ARG 149 Cb -0.16 -2.89 -0.05 0.00 -0.45 0.00 0.00 34.95 31.40 1xe3 s ARG 149 CO 0.11 -0.16 0.14 0.08 -0.68 0.00 0.00 175.30 174.79 1xe3 s VAL 150 N 1.33 5.12 -0.42 3.52 1.01 -1.26 -1.36 120.40 128.33 1xe3 s VAL 150 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1xe3 s VAL 150 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1xe3 s VAL 150 CO -0.04 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1xe3 n GLY 151 N 4.49 -0.92 3.93 4.51 0.00 -1.09 -4.93 105.19 111.18 1xe3 n GLY 151 Ca -0.15 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.00 6.34 0.26 1.61 6.03 -1.26 -0.17 114.94 123.75 1xe3 s ASN 152 Ca 0.00 0.52 0.06 0.00 -1.03 0.00 0.00 52.86 52.41 1xe3 s ASN 152 Cb 0.00 -2.06 -0.05 0.00 -3.03 0.00 0.00 41.25 36.10 1xe3 s ASN 152 CO 0.00 -0.25 -0.05 0.68 -2.03 0.00 0.00 177.10 175.45 1xe3 s VAL 153 N -2.22 1.47 -0.32 3.54 -7.23 -1.06 -1.41 120.40 113.17 1xe3 s VAL 153 Ca 0.41 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 1xe3 s VAL 153 Cb -0.10 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1xe3 s VAL 153 CO 0.34 -0.34 0.23 -0.22 -0.31 0.00 0.00 175.10 174.80 1xe3 s LEU 154 N -3.39 4.35 -0.71 1.32 1.98 0.18 -0.31 118.68 122.10 1xe3 s LEU 154 Ca 0.28 -0.28 -0.27 0.00 -2.89 0.00 0.00 54.13 50.97 1xe3 s LEU 154 Cb 0.04 -2.14 0.03 0.00 0.66 0.00 0.00 46.19 44.78 1xe3 s LEU 154 CO 0.10 -0.17 1.28 -0.89 -1.89 0.00 0.00 176.35 174.78 1xe3 s THR 155 N 1.74 3.76 0.28 3.68 2.01 0.35 -0.65 115.64 126.81 1xe3 s THR 155 Ca 0.06 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1xe3 s THR 155 Cb -0.17 -4.87 -0.09 0.00 0.01 0.00 0.00 72.50 67.38 1xe3 s THR 155 CO 0.11 -1.75 0.99 0.00 -0.69 0.00 0.00 174.62 173.27 1xe3 s ALA 156 N 5.68 3.31 -1.92 7.40 0.00 0.18 -3.69 121.76 132.72 1xe3 s ALA 156 Ca 0.37 0.67 0.25 0.00 0.00 0.00 0.00 51.96 53.25 1xe3 s ALA 156 Cb -0.08 -3.24 0.40 0.00 0.00 0.00 0.00 23.12 20.20 1xe3 s ALA 156 CO 0.17 0.09 1.35 -3.47 0.00 0.00 0.00 175.76 173.89 1xe3 n ASP 157 N 1.14 1.53 -3.92 0.00 2.03 -1.26 -4.46 116.55 111.60 1xe3 n ASP 157 Ca -0.01 -1.21 -0.19 0.00 0.52 0.00 0.00 54.79 53.90 1xe3 n ASP 157 Cb 0.47 0.29 -0.16 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.47 0.53 -0.09 5.18 1.01 -1.26 -5.02 120.40 118.28 1xe3 s VAL 158 Ca 0.22 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1xe3 s VAL 158 Cb 0.19 -0.52 -0.28 0.00 0.00 0.00 0.00 36.38 35.77 1xe3 s VAL 158 CO 0.54 0.20 0.60 0.15 0.00 0.00 0.00 175.10 176.59 1xe3 h PHE 159 N 6.77 0.51 -3.58 5.22 3.57 -1.99 -3.41 116.94 124.02 1xe3 h PHE 159 Ca -0.36 -0.37 -0.74 0.00 3.53 0.00 0.00 57.97 60.03 1xe3 h PHE 159 Cb 1.16 -0.02 -0.30 0.00 2.79 0.00 0.00 35.95 39.58 1xe3 h PHE 159 CO 0.47 1.56 -0.19 0.71 -2.23 0.00 0.00 178.31 178.63 1xe3 s TYR 160 N -2.49 3.54 0.03 0.41 1.51 -1.26 -5.05 117.35 114.04 1xe3 s TYR 160 Ca -0.19 -2.22 -0.13 0.00 -1.01 0.00 0.00 57.07 53.53 1xe3 s TYR 160 Cb 0.04 -3.52 -0.06 0.00 -0.11 0.00 0.00 41.96 38.32 1xe3 s TYR 160 CO 0.79 -0.94 0.41 0.50 -1.11 0.00 0.00 175.55 175.20 1xe3 s ARG 161 N 0.38 3.86 0.17 -0.62 3.52 -1.26 -5.01 118.95 119.98 1xe3 s ARG 161 Ca 0.14 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.01 1xe3 s ARG 161 Cb -0.18 -3.13 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1xe3 s ARG 161 CO -0.05 0.64 1.48 0.93 -0.81 0.00 0.00 175.30 177.49 1xe3 h GLU 162 N 4.31 0.70 -5.79 5.12 4.39 -1.98 -3.44 114.58 117.89 1xe3 h GLU 162 Ca -0.51 -0.43 -0.49 0.00 0.34 0.00 0.00 59.36 58.28 1xe3 h GLU 162 Cb 1.21 0.04 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 1xe3 h GLU 162 CO 0.63 1.05 -0.80 0.45 -1.16 0.00 0.00 179.01 179.17 1xe3 s SER 163 N -6.91 2.16 0.00 1.42 0.15 -1.26 -5.05 113.70 104.21 1xe3 s SER 163 Ca -0.09 -0.66 0.21 0.00 0.70 0.00 0.00 55.95 56.10 1xe3 s SER 163 Cb 0.11 -0.10 0.56 0.00 -1.71 0.00 0.00 66.02 64.88 1xe3 s SER 163 CO 0.86 -0.01 1.47 0.23 1.20 0.00 0.00 173.24 176.99 1xe3 n MET 164 N 1.14 2.70 -0.21 5.44 2.81 -1.26 -4.60 117.12 123.14 1xe3 n MET 164 Ca -0.20 -2.50 -0.06 0.00 -1.81 0.00 0.00 57.70 53.13 1xe3 n MET 164 Cb 0.54 -1.51 0.09 0.00 -0.71 0.00 0.00 33.22 31.63 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 3.90 0.99 0.16 7.83 5.19 -1.98 -0.28 116.42 132.23 1xe3 h ASP 165 Ca 0.00 -0.21 -0.26 0.00 -0.62 0.00 0.00 57.03 55.94 1xe3 h ASP 165 Cb 0.94 -0.26 0.02 0.00 0.18 0.00 0.00 39.33 40.21 1xe3 h ASP 165 CO 0.00 0.96 -1.07 0.24 -3.12 0.00 0.00 179.24 176.25 1xe3 h MET 166 N 0.99 0.58 -0.18 3.56 2.86 -2.00 -0.90 114.93 119.85 1xe3 h MET 166 Ca 0.21 -0.67 -0.10 0.00 -2.06 0.00 0.00 59.70 57.08 1xe3 h MET 166 Cb 0.37 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1xe3 h MET 166 CO 0.00 1.27 -0.32 -0.39 1.06 0.00 0.00 176.91 178.53 1xe3 h VAL 167 N 0.31 1.28 -0.39 -2.22 -1.51 -1.84 -0.99 116.25 110.89 1xe3 h VAL 167 Ca -0.13 -1.36 -0.04 0.00 -1.23 0.00 0.00 66.70 63.94 1xe3 h VAL 167 Cb 1.72 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 32.37 1xe3 h VAL 167 CO 0.20 0.42 0.08 0.50 -1.23 0.00 0.00 177.57 177.54 1xe3 h LYS 168 N 0.31 0.63 -0.36 5.19 1.63 -0.95 -1.92 116.57 121.10 1xe3 h LYS 168 Ca 0.04 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1xe3 h LYS 168 Cb 0.73 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1xe3 h LYS 168 CO 0.06 0.67 0.18 -0.22 -3.45 0.00 0.00 179.45 176.69 1xe3 h LYS 169 N 0.48 0.51 -0.78 1.90 3.64 -0.93 -0.47 116.57 120.92 1xe3 h LYS 169 Ca 0.12 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 1xe3 h LYS 169 Cb 0.34 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1xe3 h LYS 169 CO 0.00 0.44 0.38 -0.07 -2.27 0.00 0.00 179.45 177.93 1xe3 h LEU 170 N 0.45 0.45 -1.12 5.20 3.38 -1.12 -0.51 115.31 122.03 1xe3 h LEU 170 Ca 0.12 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1xe3 h LEU 170 Cb 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xe3 h LEU 170 CO -0.02 0.21 -0.21 1.23 0.09 0.00 0.00 178.44 179.74 1xe3 h GLY 171 N 0.58 0.39 1.95 0.83 0.00 -0.93 -1.53 103.07 104.36 1xe3 h GLY 171 Ca 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1xe3 h GLY 171 CO -0.34 0.26 -0.11 -0.55 0.00 0.00 0.00 176.54 175.81 1xe3 h ASP 172 N 0.33 0.06 -0.51 0.19 3.32 0.38 -2.46 116.42 117.72 1xe3 h ASP 172 Ca 0.05 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1xe3 h ASP 172 Cb 0.56 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 1xe3 h ASP 172 CO 0.04 0.18 0.21 -1.22 -1.72 0.00 0.00 179.24 176.72 1xe3 n TYR 173 N -4.37 1.70 -0.39 4.55 4.02 -0.35 -4.92 117.16 117.39 1xe3 n TYR 173 Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 1xe3 n TYR 173 Cb 0.20 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 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 1.40 3.70 2.72 0.00 -0.92 -5.02 105.19 107.01 1xe3 n GLY 174 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.09 2.43 0.02 1.61 1.01 -0.74 -4.76 120.40 116.88 1xe3 s VAL 175 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1xe3 s VAL 175 Cb 0.00 -3.07 -0.35 0.00 0.00 0.00 0.00 36.38 32.96 1xe3 s VAL 175 CO 0.00 0.00 0.95 -0.07 0.00 0.00 0.00 175.10 175.98 1xe3 h LEU 176 N 7.91 0.82 -7.47 3.92 3.38 -1.57 -3.23 115.31 119.06 1xe3 h LEU 176 Ca -0.44 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 56.68 1xe3 h LEU 176 Cb 1.21 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1xe3 h LEU 176 CO 0.95 1.73 0.33 0.00 0.09 0.00 0.00 178.44 181.54 1xe3 s ALA 177 N -2.60 -1.53 0.03 1.53 0.00 -1.26 -1.66 121.76 116.28 1xe3 s ALA 177 Ca -0.10 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1xe3 s ALA 177 Cb 0.04 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1xe3 s ALA 177 CO 0.93 -0.91 -0.22 0.54 0.00 0.00 0.00 175.76 176.11 1xe3 s VAL 178 N -3.58 2.48 0.00 0.00 0.11 0.07 -0.65 120.40 118.82 1xe3 s VAL 178 Ca 0.08 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 1xe3 s VAL 178 Cb -0.03 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 1xe3 s VAL 178 CO -0.02 0.39 0.00 -1.84 -3.33 0.00 0.00 175.10 170.30 1xe3 n GLU 179 N 1.79 0.00 -0.20 1.54 -0.00 0.18 -2.35 120.64 121.59 1xe3 n GLU 179 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1xe3 n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.11 0.00 3.44 2.81 -1.26 0.48 117.12 122.70 1xe3 n MET 180 Ca 0.00 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.12 1xe3 n MET 180 Cb 0.00 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.04 1.45 0.20 0.03 4.71 -1.26 -2.06 120.64 123.68 1xe3 n GLU 181 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.22 1xe3 n GLU 181 Cb 0.58 -0.61 0.43 0.00 -1.01 0.00 0.00 31.44 30.83 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 0.92 -0.14 2.62 1.35 -1.95 -2.08 112.91 113.63 1xe3 h THR 182 Ca 0.00 -1.23 -0.09 0.00 -0.55 0.00 0.00 66.41 64.54 1xe3 h THR 182 Cb 0.18 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1xe3 h THR 182 CO 0.00 0.31 -0.31 0.71 -0.25 0.00 0.00 175.52 175.98 1xe3 h THR 183 N 0.00 1.27 0.04 6.82 1.35 -1.92 -0.87 112.91 119.60 1xe3 h THR 183 Ca -0.00 -1.29 -0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1xe3 h THR 183 Cb 0.70 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1xe3 h THR 183 CO 0.04 0.39 -0.02 0.00 -0.25 0.00 0.00 175.52 175.68 1xe3 h ALA 184 N 1.44 -0.05 -0.08 6.62 0.00 -1.73 -1.04 119.26 124.42 1xe3 h ALA 184 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xe3 h ALA 184 Cb 0.68 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xe3 h ALA 184 CO 0.05 -0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.06 1xe3 h LEU 185 N -0.15 -0.05 -0.74 0.00 5.85 -1.44 -1.56 115.31 117.22 1xe3 h LEU 185 Ca -0.01 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1xe3 h LEU 185 Cb 0.13 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1xe3 h LEU 185 CO 0.01 -0.01 -0.01 1.88 -0.34 0.00 0.00 178.44 179.97 1xe3 h TYR 186 N 0.02 1.03 -0.11 1.25 -1.99 -1.16 -0.16 116.97 115.85 1xe3 h TYR 186 Ca 0.04 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 1xe3 h TYR 186 Cb 0.05 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.50 1xe3 h TYR 186 CO -0.13 0.93 -0.14 1.15 -0.00 0.00 0.00 178.16 179.98 1xe3 h THR 187 N 0.88 1.37 -0.44 -2.88 2.02 -1.05 -1.96 112.91 110.85 1xe3 h THR 187 Ca 0.16 -1.34 -0.14 0.00 0.77 0.00 0.00 66.41 65.86 1xe3 h THR 187 Cb 0.53 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1xe3 h THR 187 CO 0.03 0.38 -0.26 -0.07 0.37 0.00 0.00 175.52 175.98 1xe3 h LEU 188 N -0.14 0.97 -0.48 2.58 3.38 -1.24 -0.57 115.31 119.80 1xe3 h LEU 188 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xe3 h LEU 188 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xe3 h LEU 188 CO 0.03 1.16 0.31 0.00 0.09 0.00 0.00 178.44 180.04 1xe3 h ALA 189 N 0.90 0.61 -0.09 1.53 0.00 -1.05 -1.16 119.26 120.00 1xe3 h ALA 189 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xe3 h ALA 189 Cb 0.83 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xe3 h ALA 189 CO 0.07 0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.45 1xe3 h ALA 190 N 1.17 0.12 -1.00 0.00 0.00 -1.23 -0.49 119.26 117.82 1xe3 h ALA 190 Ca 0.18 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.23 1xe3 h ALA 190 Cb -0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1xe3 h ALA 190 CO -0.04 -0.39 0.62 -0.22 0.00 0.00 0.00 179.25 179.23 1xe3 h LYS 191 N 0.12 0.83 -0.00 0.00 3.64 -0.77 -2.56 116.57 117.82 1xe3 h LYS 191 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xe3 h LYS 191 Cb -0.01 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1xe3 h LYS 191 CO -0.01 0.55 -0.52 0.66 -2.27 0.00 0.00 179.45 177.86 1xe3 n TYR 192 N -4.69 0.00 -1.90 1.91 4.01 -0.47 -4.97 117.16 111.06 1xe3 n TYR 192 Ca 0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.93 1xe3 n TYR 192 Cb 0.48 -0.14 -0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.45 0.32 3.80 2.72 0.00 -0.30 -5.06 105.19 108.12 1xe3 n GLY 193 Ca 0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.10 1.48 -0.14 1.61 -7.23 -0.58 -5.03 120.40 108.41 1xe3 s VAL 194 Ca 0.00 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1xe3 s VAL 194 Cb 0.00 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1xe3 s VAL 194 CO 0.00 0.00 -0.06 0.20 -0.31 0.00 0.00 175.10 174.93 1xe3 s ASN 195 N -4.02 4.60 0.02 4.85 0.02 -0.10 -4.34 114.94 115.97 1xe3 s ASN 195 Ca 0.20 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.88 1xe3 s ASN 195 Cb 0.01 -1.67 -0.02 0.00 0.02 0.00 0.00 41.25 39.59 1xe3 s ASN 195 CO 0.12 0.19 -0.04 0.00 0.02 0.00 0.00 177.10 177.39 1xe3 s ALA 196 N 0.20 0.20 0.06 0.60 0.00 -1.26 -0.75 121.76 120.82 1xe3 s ALA 196 Ca -0.04 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 1xe3 s ALA 196 Cb -0.14 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1xe3 s ALA 196 CO 0.03 -0.14 0.55 -1.17 0.00 0.00 0.00 175.76 175.03 1xe3 s LEU 197 N -1.50 -0.21 -0.09 0.00 2.96 -0.78 -1.32 118.68 117.74 1xe3 s LEU 197 Ca -0.15 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1xe3 s LEU 197 Cb -0.10 2.25 0.02 0.00 0.50 0.00 0.00 46.19 48.86 1xe3 s LEU 197 CO -0.01 -0.76 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.71 1xe3 s SER 198 N -2.07 1.98 -0.11 3.68 0.01 -1.26 -0.79 113.70 115.14 1xe3 s SER 198 Ca -0.04 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1xe3 s SER 198 Cb -0.00 -0.85 0.02 0.00 0.21 0.00 0.00 66.02 65.39 1xe3 s SER 198 CO -0.03 -0.03 -0.10 -0.69 0.41 0.00 0.00 173.24 172.80 1xe3 s VAL 199 N 1.10 1.18 -0.01 3.43 1.01 -0.27 -2.41 120.40 124.43 1xe3 s VAL 199 Ca -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1xe3 s VAL 199 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1xe3 s VAL 199 CO -0.02 0.39 -0.06 -0.76 0.00 0.00 0.00 175.10 174.65 1xe3 s LEU 200 N 1.40 1.85 -0.05 3.92 1.02 -0.12 -3.23 118.68 123.49 1xe3 s LEU 200 Ca 0.00 -0.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 1xe3 s LEU 200 Cb -0.13 -0.38 -0.05 0.00 0.02 0.00 0.00 46.19 45.64 1xe3 s LEU 200 CO -0.06 0.05 0.41 -0.89 0.02 0.00 0.00 176.35 175.89 1xe3 s THR 201 N 0.09 5.09 -0.29 5.49 2.01 0.26 0.01 115.64 128.30 1xe3 s THR 201 Ca -0.01 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 1xe3 s THR 201 Cb -0.05 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1xe3 s THR 201 CO -0.00 0.50 1.31 -0.69 -0.69 0.00 0.00 174.62 175.05 1xe3 s VAL 202 N -0.49 4.13 -0.08 3.82 1.01 -0.02 -1.02 120.40 127.75 1xe3 s VAL 202 Ca 0.24 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1xe3 s VAL 202 Cb -0.16 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.84 1xe3 s VAL 202 CO 0.12 -0.44 0.52 -1.54 0.00 0.00 0.00 175.10 173.75 1xe3 n SER 203 N 7.59 1.56 -3.77 3.32 3.41 -0.82 -0.02 113.62 124.88 1xe3 n SER 203 Ca 0.15 0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.98 1xe3 n SER 203 Cb 0.46 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1xe3 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xe3 s ASP 204 N -6.61 -0.13 -0.25 4.04 -4.77 -1.24 -1.91 116.67 105.79 1xe3 s ASP 204 Ca -0.14 -0.54 -0.08 0.00 -3.30 0.00 0.00 52.55 48.49 1xe3 s ASP 204 Cb 0.07 0.48 -0.04 0.00 -1.09 0.00 0.00 42.92 42.35 1xe3 s ASP 204 CO 0.80 -0.91 0.10 -2.28 0.70 0.00 0.00 175.17 173.58 1xe3 s HIS 205 N -3.87 3.14 0.41 2.11 2.46 0.72 -0.12 115.29 120.14 1xe3 s HIS 205 Ca 0.08 -0.21 0.14 0.00 0.47 0.00 0.00 55.06 55.54 1xe3 s HIS 205 Cb 0.02 -2.25 0.88 0.00 -0.13 0.00 0.00 32.58 31.10 1xe3 s HIS 205 CO -0.06 -0.24 1.91 0.82 -2.47 0.00 0.00 174.74 174.70 1xe3 h ILE 206 N 5.41 1.17 0.00 0.89 2.04 -1.28 -0.82 117.51 124.92 1xe3 h ILE 206 Ca -0.37 -0.95 -0.31 0.00 1.00 0.00 0.00 64.86 64.23 1xe3 h ILE 206 Cb 1.18 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1xe3 h ILE 206 CO 0.59 0.27 -2.16 0.49 0.00 0.00 0.00 178.15 177.33 1xe3 n PHE 207 N -4.17 0.00 0.06 1.37 3.72 -1.26 -4.48 117.46 112.70 1xe3 n PHE 207 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 1xe3 n PHE 207 Cb 0.33 -0.82 -0.11 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 1.66 0.00 4.37 1.35 -1.92 -3.48 112.91 114.89 1xe3 h THR 208 Ca -0.46 -3.35 0.00 0.00 -0.55 0.00 0.00 66.41 62.05 1xe3 h THR 208 Cb 1.91 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 71.15 1xe3 h THR 208 CO -0.01 0.94 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1xe3 n GLY 209 N 1.35 0.78 3.66 5.82 0.00 -0.31 -5.02 105.19 111.46 1xe3 n GLY 209 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.14 1.96 -4.18 1.61 -0.58 -1.25 -4.81 120.64 111.25 1xe3 n GLU 210 Ca 0.00 0.71 -0.11 0.00 -0.42 0.00 0.00 57.16 57.34 1xe3 n GLU 210 Cb 0.00 -2.46 -0.10 0.00 -0.57 0.00 0.00 31.44 28.31 1xe3 n GLU 210 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xe3 s GLU 211 N 1.15 0.95 -0.06 3.49 -1.05 -1.26 -0.20 118.70 121.72 1xe3 s GLU 211 Ca 0.81 -1.44 -0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1xe3 s GLU 211 Cb -0.74 -0.05 0.02 0.00 -0.44 0.00 0.00 34.13 32.92 1xe3 s GLU 211 CO 0.41 -0.15 0.18 -0.08 0.95 0.00 0.00 175.26 176.57 1xe3 s THR 212 N -3.79 0.01 0.49 1.83 -1.32 -0.81 -4.98 115.64 107.07 1xe3 s THR 212 Ca 0.20 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1xe3 s THR 212 Cb 0.07 -0.29 -0.08 0.00 -1.51 0.00 0.00 72.50 70.69 1xe3 s THR 212 CO 0.00 -0.05 0.95 -0.89 -2.21 0.00 0.00 174.62 172.42 1xe3 s THR 213 N -0.10 4.55 0.43 5.08 2.01 -1.26 -4.84 115.64 121.51 1xe3 s THR 213 Ca -0.02 1.16 0.10 0.00 0.31 0.00 0.00 61.69 63.25 1xe3 s THR 213 Cb -0.02 -3.71 0.22 0.00 0.01 0.00 0.00 72.50 69.01 1xe3 s THR 213 CO 0.00 -0.62 2.03 0.77 -0.69 0.00 0.00 174.62 176.11 1xe3 h SER 214 N 1.09 0.25 0.01 3.53 4.64 -1.97 -2.16 113.55 118.94 1xe3 h SER 214 Ca -0.47 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1xe3 h SER 214 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xe3 h SER 214 CO 0.62 0.26 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.76 1xe3 h GLU 215 N 0.27 -0.02 -0.75 4.77 4.81 -2.00 -2.57 114.58 119.10 1xe3 h GLU 215 Ca 0.07 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 1xe3 h GLU 215 Cb 0.12 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1xe3 h GLU 215 CO -0.00 0.05 0.51 0.93 -0.73 0.00 0.00 179.01 179.77 1xe3 h GLU 216 N -0.07 0.22 -0.28 1.92 5.08 -1.80 -2.73 114.58 116.93 1xe3 h GLU 216 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xe3 h GLU 216 Cb 0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xe3 h GLU 216 CO 0.00 0.14 0.00 2.89 -1.00 0.00 0.00 179.01 181.05 1xe3 n ARG 217 N -4.42 2.87 -0.33 2.33 1.85 -0.87 -4.75 116.66 113.34 1xe3 n ARG 217 Ca 0.15 -2.54 -0.02 0.00 -1.00 0.00 0.00 57.85 54.43 1xe3 n ARG 217 Cb 0.66 -1.63 0.11 0.00 -1.05 0.00 0.00 32.46 30.55 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 1.79 1.11 0.00 2.89 4.15 -1.13 -0.87 115.11 123.06 1xe3 h GLN 218 Ca 0.00 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.17 1xe3 h GLN 218 Cb 1.18 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 1xe3 h GLN 218 CO 0.14 0.73 -0.83 1.79 -1.93 0.00 0.00 178.83 178.73 1xe3 h THR 219 N 1.14 1.56 0.10 2.39 1.35 -1.85 0.13 112.91 117.74 1xe3 h THR 219 Ca 0.34 -2.76 -0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1xe3 h THR 219 Cb -0.05 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1xe3 h THR 219 CO -0.10 0.79 -0.05 0.74 -0.25 0.00 0.00 175.52 176.65 1xe3 h THR 220 N 0.03 0.95 -0.62 6.82 2.02 -1.87 -1.57 112.91 118.67 1xe3 h THR 220 Ca -0.02 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.07 1xe3 h THR 220 Cb 1.46 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 1xe3 h THR 220 CO 0.11 0.05 0.22 0.15 0.37 0.00 0.00 175.52 176.42 1xe3 h PHE 221 N -0.22 0.37 -0.66 3.16 3.57 -1.04 0.10 116.94 122.23 1xe3 h PHE 221 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xe3 h PHE 221 Cb 0.18 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1xe3 h PHE 221 CO -0.04 0.07 0.34 -0.91 -2.23 0.00 0.00 178.31 175.55 1xe3 h ASN 222 N 0.39 0.82 0.39 0.41 2.35 -0.75 -2.13 115.58 117.06 1xe3 h ASN 222 Ca 0.32 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.83 1xe3 h ASN 222 Cb 0.42 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xe3 h ASN 222 CO -0.33 0.67 -0.72 -0.33 -1.65 0.00 0.00 177.43 175.07 1xe3 h GLU 223 N 0.92 0.28 -0.52 0.81 5.08 -0.47 -1.69 114.58 118.98 1xe3 h GLU 223 Ca 0.23 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xe3 h GLU 223 Cb 0.05 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1xe3 h GLU 223 CO -0.04 0.89 0.28 1.98 -1.00 0.00 0.00 179.01 181.12 1xe3 h MET 224 N 0.19 0.53 -0.40 2.33 4.05 -0.69 -1.43 114.93 119.51 1xe3 h MET 224 Ca -0.03 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1xe3 h MET 224 Cb 1.29 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1xe3 h MET 224 CO 0.12 0.35 0.16 0.82 0.23 0.00 0.00 176.91 178.58 1xe3 h ILE 225 N 0.54 1.20 -0.20 1.77 1.08 -1.25 -1.53 117.51 119.12 1xe3 h ILE 225 Ca 0.23 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1xe3 h ILE 225 Cb 0.11 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 1xe3 h ILE 225 CO -0.15 0.22 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.09 1xe3 h GLU 226 N 0.49 -0.38 -0.16 2.37 4.81 -1.14 0.23 114.58 120.80 1xe3 h GLU 226 Ca 0.13 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1xe3 h GLU 226 Cb 0.19 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1xe3 h GLU 226 CO -0.01 -0.25 -0.33 -0.84 -0.73 0.00 0.00 179.01 176.84 1xe3 h ILE 227 N -0.40 1.28 -0.32 2.32 3.07 -1.15 0.24 117.51 122.55 1xe3 h ILE 227 Ca 0.11 -1.37 -0.15 0.00 1.55 0.00 0.00 64.86 64.99 1xe3 h ILE 227 Cb 0.57 1.53 -0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1xe3 h ILE 227 CO -0.42 0.42 -0.38 0.00 -1.05 0.00 0.00 178.15 176.72 1xe3 h ALA 228 N 1.37 0.48 -0.03 0.16 0.00 -0.95 -0.23 119.26 120.06 1xe3 h ALA 228 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xe3 h ALA 228 Cb 0.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xe3 h ALA 228 CO 0.06 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.83 1xe3 h LEU 229 N 0.61 0.04 -0.51 0.00 3.38 -0.29 -2.23 115.31 116.30 1xe3 h LEU 229 Ca 0.04 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1xe3 h LEU 229 Cb 0.97 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1xe3 h LEU 229 CO 0.09 0.10 0.07 0.44 0.09 0.00 0.00 178.44 179.24 1xe3 h ASP 230 N -0.03 -0.06 -0.53 -0.43 3.32 -0.82 -1.04 116.42 116.82 1xe3 h ASP 230 Ca 0.01 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1xe3 h ASP 230 Cb 0.08 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1xe3 h ASP 230 CO -0.00 -0.01 0.12 0.00 -1.72 0.00 0.00 179.24 177.63 1xe3 h ALA 231 N 1.42 1.12 -0.01 3.45 0.00 -0.97 -3.22 119.26 121.05 1xe3 h ALA 231 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xe3 h ALA 231 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xe3 h ALA 231 CO -0.37 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.43 1xe3 h ALA 232 N 1.26 0.01 0.00 0.00 0.00 -0.95 -3.47 119.26 116.11 1xe3 h ALA 232 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xe3 h ALA 232 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xe3 h ALA 232 CO 0.00 -0.11 0.00 -0.89 0.00 0.00 0.00 179.25 178.25