#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhe s THR 3 N 0.00 3.38 0.40 5.09 2.01 -1.26 -4.92 115.64 120.33 1xhe s THR 3 Ca 0.00 0.42 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 1xhe s THR 3 Cb 0.00 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 1xhe s THR 3 CO 0.00 -0.19 1.40 -2.16 -0.69 0.00 0.00 174.62 172.97 1xhe s PRO 4 N 5.21 4.00 -0.15 4.92 0.04 -1.26 -4.81 135.00 142.95 1xhe s PRO 4 Ca 0.83 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 64.24 1xhe s PRO 4 Cb -0.29 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1xhe s PRO 4 CO 0.33 -0.54 -0.13 -1.01 0.04 0.00 0.00 177.00 175.69 1xhe s HIS 5 N -1.18 2.81 0.00 0.56 3.76 -1.26 -1.59 115.29 118.40 1xhe s HIS 5 Ca 0.55 -0.89 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 1xhe s HIS 5 Cb -0.43 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 1xhe s HIS 5 CO 0.56 -0.39 -0.26 -1.50 -0.85 0.00 0.00 174.74 172.30 1xhe s ILE 6 N 0.73 2.06 -0.18 0.60 2.07 -0.39 -0.31 121.20 125.77 1xhe s ILE 6 Ca -0.06 -1.19 -0.01 0.00 -1.41 0.00 0.00 60.65 57.98 1xhe s ILE 6 Cb -0.15 -1.72 -0.00 0.00 0.13 0.00 0.00 42.46 40.71 1xhe s ILE 6 CO 0.01 0.50 -0.12 -0.22 -1.91 0.00 0.00 174.94 173.20 1xhe s LEU 7 N -0.81 2.57 -0.28 8.50 2.96 0.41 -0.00 118.68 132.03 1xhe s LEU 7 Ca 0.10 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1xhe s LEU 7 Cb -0.10 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1xhe s LEU 7 CO -0.00 0.04 0.15 -0.63 -1.32 0.00 0.00 176.35 174.59 1xhe s ILE 8 N 1.07 4.84 -0.48 6.68 1.01 -0.13 -1.01 121.20 133.17 1xhe s ILE 8 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1xhe s ILE 8 Cb -0.15 -3.34 0.12 0.00 0.01 0.00 0.00 42.46 39.10 1xhe s ILE 8 CO -0.03 0.22 0.38 -0.69 0.00 0.00 0.00 174.94 174.82 1xhe s VAL 9 N 1.68 4.51 -0.22 2.92 1.01 0.01 -1.33 120.40 128.98 1xhe s VAL 9 Ca 0.06 -1.65 -0.09 0.00 0.00 0.00 0.00 61.98 60.30 1xhe s VAL 9 Cb -0.16 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1xhe s VAL 9 CO 0.08 -0.77 0.50 -0.70 0.00 0.00 0.00 175.10 174.21 1xhe s GLU 10 N 1.44 0.44 0.11 2.72 2.56 -0.24 -1.87 118.70 123.86 1xhe s GLU 10 Ca 0.05 1.10 0.08 0.00 0.00 0.00 0.00 54.97 56.20 1xhe s GLU 10 Cb -0.27 0.36 -0.20 0.00 2.00 0.00 0.00 34.13 36.02 1xhe s GLU 10 CO 0.01 -0.21 1.23 0.38 -0.56 0.00 0.00 175.26 176.10 1xhe h ASP 11 N 7.79 0.00 -2.90 -1.70 2.03 -1.78 -3.40 116.42 116.46 1xhe h ASP 11 Ca -0.22 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.51 1xhe h ASP 11 Cb 1.14 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.60 1xhe h ASP 11 CO 0.16 0.98 0.96 -1.61 -1.03 0.00 0.00 179.24 178.70 1xhe s GLU 12 N -2.71 4.13 0.25 4.15 2.02 -1.26 -4.90 118.70 120.37 1xhe s GLU 12 Ca 0.01 1.66 -0.04 0.00 0.02 0.00 0.00 54.97 56.61 1xhe s GLU 12 Cb 0.10 -3.84 0.36 0.00 0.10 0.00 0.00 34.13 30.84 1xhe s GLU 12 CO 0.82 -0.86 1.86 1.25 0.02 0.00 0.00 175.26 178.35 1xhe h LEU 13 N 10.20 0.91 0.64 1.80 5.85 -1.99 -1.40 115.31 131.32 1xhe h LEU 13 Ca -0.29 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1xhe h LEU 13 Cb 1.12 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1xhe h LEU 13 CO 0.98 0.58 -0.31 0.58 -0.34 0.00 0.00 178.44 179.94 1xhe h VAL 14 N 1.05 0.00 -0.87 1.05 2.07 -1.98 -1.00 116.25 116.57 1xhe h VAL 14 Ca 0.40 -0.13 0.23 0.00 0.82 0.00 0.00 66.70 68.01 1xhe h VAL 14 Cb 0.17 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.79 1xhe h VAL 14 CO -0.17 0.00 0.15 0.74 0.02 0.00 0.00 177.57 178.30 1xhe h THR 15 N -0.99 0.27 -0.38 2.57 2.02 -1.97 -1.47 112.91 112.96 1xhe h THR 15 Ca -0.09 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 1xhe h THR 15 Cb 0.66 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1xhe h THR 15 CO 0.14 0.03 -0.24 -0.09 0.37 0.00 0.00 175.52 175.73 1xhe h ARG 16 N 0.14 0.76 -0.56 6.66 2.43 -1.13 -2.29 114.38 120.39 1xhe h ARG 16 Ca 0.53 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1xhe h ARG 16 Cb 1.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1xhe h ARG 16 CO -0.71 0.93 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.72 1xhe h ASN 17 N 0.66 0.99 0.28 -3.80 -0.26 -0.24 -0.92 115.58 112.30 1xhe h ASN 17 Ca 0.09 -0.30 -0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1xhe h ASN 17 Cb 0.75 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 1xhe h ASN 17 CO 0.06 1.07 -0.41 0.74 -1.06 0.00 0.00 177.43 177.84 1xhe h THR 18 N 0.91 0.00 -0.61 2.81 2.02 -1.12 -0.52 112.91 116.41 1xhe h THR 18 Ca 0.15 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.46 1xhe h THR 18 Cb 0.60 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.91 1xhe h THR 18 CO 0.04 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.86 1xhe h LEU 19 N -0.72 -0.26 -0.50 2.58 4.07 -1.42 0.12 115.31 119.18 1xhe h LEU 19 Ca -0.03 0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1xhe h LEU 19 Cb 0.66 0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 1xhe h LEU 19 CO -0.12 -0.11 0.29 0.50 -1.08 0.00 0.00 178.44 177.93 1xhe h LYS 20 N 0.12 0.68 -0.25 1.13 3.64 -1.04 -1.50 116.57 119.35 1xhe h LYS 20 Ca 0.32 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 1xhe h LYS 20 Cb 0.52 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1xhe h LYS 20 CO -0.52 0.51 -0.53 0.66 -2.27 0.00 0.00 179.45 177.30 1xhe h SER 21 N 0.67 0.82 -0.68 4.20 4.64 -0.11 0.02 113.55 123.10 1xhe h SER 21 Ca 0.18 -0.43 0.15 0.00 -0.47 0.00 0.00 61.79 61.22 1xhe h SER 21 Cb 0.00 -0.23 -0.11 0.00 -0.31 0.00 0.00 62.40 61.75 1xhe h SER 21 CO -0.03 1.19 0.08 0.40 -0.87 0.00 0.00 176.83 177.60 1xhe h ILE 22 N 0.57 0.49 0.00 0.95 2.04 -0.48 -1.09 117.51 119.98 1xhe h ILE 22 Ca 0.02 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1xhe h ILE 22 Cb 1.10 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xhe h ILE 22 CO 0.11 0.03 -0.73 -0.26 0.00 0.00 0.00 178.15 177.31 1xhe h PHE 23 N 0.19 0.00 -0.33 1.37 0.04 -1.05 -3.09 116.94 114.07 1xhe h PHE 23 Ca 0.37 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.03 1xhe h PHE 23 Cb 0.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1xhe h PHE 23 CO -0.32 0.43 -0.25 0.93 -0.60 0.00 0.00 178.31 178.50 1xhe h GLU 24 N 0.00 0.65 0.00 1.51 5.08 -0.61 -1.32 114.58 119.90 1xhe h GLU 24 Ca -0.04 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1xhe h GLU 24 Cb 1.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1xhe h GLU 24 CO 0.05 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.90 1xhe n ALA 25 N -2.49 1.19 1.31 3.43 0.00 -0.45 0.46 120.51 123.96 1xhe n ALA 25 Ca -0.00 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1xhe n ALA 25 Cb 0.43 -1.24 0.37 0.00 0.00 0.00 0.00 19.45 19.00 1xhe n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xhe n GLU 26 N -2.01 1.91 -1.12 0.00 -0.58 -0.56 -4.95 120.64 113.33 1xhe n GLU 26 Ca -0.00 -1.32 0.00 0.00 -0.42 0.00 0.00 57.16 55.42 1xhe n GLU 26 Cb 0.07 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1xhe n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xhe n GLY 27 N 1.24 0.41 3.86 0.62 0.00 0.17 -5.05 105.19 106.45 1xhe n GLY 27 Ca 0.17 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1xhe n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhe s TYR 28 N -2.00 3.44 -0.05 1.61 1.51 -0.83 -4.68 117.35 116.36 1xhe s TYR 28 Ca 0.00 1.00 -0.23 0.00 -1.01 0.00 0.00 57.07 56.83 1xhe s TYR 28 Cb 0.00 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1xhe s TYR 28 CO 0.00 0.25 0.69 -0.51 -1.11 0.00 0.00 175.55 174.86 1xhe s ASP 29 N -2.23 7.00 -0.18 2.29 1.01 -0.62 -4.39 116.67 119.54 1xhe s ASP 29 Ca 0.48 1.20 -0.06 0.00 0.71 0.00 0.00 52.55 54.87 1xhe s ASP 29 Cb -0.12 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1xhe s ASP 29 CO 0.20 -0.07 0.02 -0.69 0.21 0.00 0.00 175.17 174.84 1xhe s VAL 30 N 0.60 4.31 0.13 -1.27 1.01 -1.26 -1.27 120.40 122.65 1xhe s VAL 30 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1xhe s VAL 30 Cb -0.18 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1xhe s VAL 30 CO 0.18 0.45 0.02 -0.36 0.00 0.00 0.00 175.10 175.39 1xhe s PHE 31 N 0.61 2.96 0.07 5.22 0.40 0.10 -4.97 117.98 122.37 1xhe s PHE 31 Ca 0.01 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1xhe s PHE 31 Cb -0.14 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1xhe s PHE 31 CO 0.02 0.50 -0.17 -1.21 0.70 0.00 0.00 175.22 175.05 1xhe s GLU 32 N -2.65 1.06 -0.15 0.44 2.02 -1.26 -0.96 118.70 117.20 1xhe s GLU 32 Ca 0.27 -0.96 -0.13 0.00 0.02 0.00 0.00 54.97 54.17 1xhe s GLU 32 Cb -0.11 -1.17 0.04 0.00 0.10 0.00 0.00 34.13 33.00 1xhe s GLU 32 CO 0.19 0.28 0.40 0.00 0.02 0.00 0.00 175.26 176.15 1xhe s ALA 33 N -1.02 -0.99 -0.07 5.21 0.00 -0.44 -4.91 121.76 119.54 1xhe s ALA 33 Ca 0.03 1.16 0.21 0.00 0.00 0.00 0.00 51.96 53.37 1xhe s ALA 33 Cb -0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 23.12 22.05 1xhe s ALA 33 CO 0.02 -0.20 0.47 2.41 0.00 0.00 0.00 175.76 178.47 1xhe n THR 34 N 3.01 0.25 -3.34 0.00 -1.04 -1.26 -1.08 114.28 110.82 1xhe n THR 34 Ca -0.14 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.05 61.28 1xhe n THR 34 Cb 0.57 -0.10 0.01 0.00 -1.82 0.00 0.00 70.33 68.99 1xhe n THR 34 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xhe n ASP 35 N -2.36 -0.87 0.14 8.00 5.68 -1.26 -4.09 116.55 121.80 1xhe n ASP 35 Ca -0.08 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1xhe n ASP 35 Cb 0.65 1.44 0.18 0.00 -1.14 0.00 0.00 41.12 42.26 1xhe n ASP 35 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xhe h GLY 36 N 0.77 0.00 0.68 6.12 0.00 -1.88 -0.95 103.07 107.81 1xhe h GLY 36 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1xhe h GLY 36 CO 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.63 1xhe h ALA 37 N 1.43 0.15 -0.78 3.60 0.00 -1.99 -1.97 119.26 119.69 1xhe h ALA 37 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xhe h ALA 37 Cb 1.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1xhe h ALA 37 CO 0.07 -0.05 0.36 0.93 0.00 0.00 0.00 179.25 180.56 1xhe h GLU 38 N -0.15 1.13 -0.09 0.00 5.08 -1.94 -0.21 114.58 118.41 1xhe h GLU 38 Ca 0.02 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1xhe h GLU 38 Cb 0.56 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1xhe h GLU 38 CO 0.02 0.88 -0.05 1.98 -1.00 0.00 0.00 179.01 180.84 1xhe h MET 39 N 1.12 -0.05 -0.16 2.33 4.05 -1.10 -0.62 114.93 120.49 1xhe h MET 39 Ca 0.27 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.58 1xhe h MET 39 Cb 0.14 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1xhe h MET 39 CO -0.03 -0.03 -0.37 0.45 0.23 0.00 0.00 176.91 177.16 1xhe h HIS 40 N -0.05 0.40 0.06 1.39 3.86 -1.08 -0.61 115.15 119.12 1xhe h HIS 40 Ca 0.05 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1xhe h HIS 40 Cb 0.13 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1xhe h HIS 40 CO -0.17 0.67 -0.07 0.37 0.86 0.00 0.00 177.93 179.59 1xhe h GLN 41 N 0.29 -0.14 -0.65 2.45 -0.00 -0.70 -1.44 115.11 114.92 1xhe h GLN 41 Ca 0.03 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 1xhe h GLN 41 Cb 0.78 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.27 1xhe h GLN 41 CO 0.06 -0.10 0.18 0.82 0.00 0.00 0.00 178.83 179.79 1xhe h ILE 42 N -0.15 1.25 0.00 2.39 2.04 -0.88 -2.37 117.51 119.79 1xhe h ILE 42 Ca 0.01 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1xhe h ILE 42 Cb 0.15 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1xhe h ILE 42 CO -0.03 0.34 -0.20 -0.07 0.00 0.00 0.00 178.15 178.20 1xhe h LEU 43 N 0.95 0.00 -0.12 1.44 3.38 -0.95 -1.88 115.31 118.12 1xhe h LEU 43 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 1xhe h LEU 43 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xhe h LEU 43 CO -0.00 0.20 -0.86 0.28 0.09 0.00 0.00 178.44 178.15 1xhe h SER 44 N 0.00 0.93 0.23 -0.43 0.02 -0.92 -3.39 113.55 109.99 1xhe h SER 44 Ca -0.00 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1xhe h SER 44 Cb 0.39 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1xhe h SER 44 CO 0.03 1.45 -1.45 -0.62 -1.14 0.00 0.00 176.83 175.09 1xhe n GLU 45 N -3.91 0.44 -4.10 3.45 -0.58 -0.92 -5.00 120.64 110.02 1xhe n GLU 45 Ca -0.08 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.47 1xhe n GLU 45 Cb 0.79 -1.57 -0.11 0.00 -0.57 0.00 0.00 31.44 29.98 1xhe n GLU 45 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1xhe s TYR 46 N -3.33 0.69 0.15 -0.32 2.02 -0.74 -5.10 117.35 110.73 1xhe s TYR 46 Ca -0.01 -0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 55.62 1xhe s TYR 46 Cb 0.14 -0.42 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1xhe s TYR 46 CO 0.86 -0.17 1.26 -0.51 -1.57 0.00 0.00 175.55 175.42 1xhe s ASP 47 N -2.37 6.99 -0.09 2.29 1.11 -1.26 -4.68 116.67 118.66 1xhe s ASP 47 Ca 0.01 2.24 -0.01 0.00 0.18 0.00 0.00 52.55 54.97 1xhe s ASP 47 Cb -0.01 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.41 1xhe s ASP 47 CO -0.03 -0.49 -0.03 -0.63 1.18 0.00 0.00 175.17 175.17 1xhe s ILE 48 N 0.46 0.62 -0.20 0.77 -1.09 -1.26 -4.76 121.20 115.74 1xhe s ILE 48 Ca 0.57 -0.05 0.22 0.00 -2.23 0.00 0.00 60.65 59.17 1xhe s ILE 48 Cb -0.34 -0.74 -0.12 0.00 -1.58 0.00 0.00 42.46 39.68 1xhe s ILE 48 CO 0.34 0.29 0.85 0.59 -1.23 0.00 0.00 174.94 175.78 1xhe n ASN 49 N 5.07 0.54 -3.70 3.58 4.13 0.57 -4.93 115.26 120.52 1xhe n ASN 49 Ca -0.09 0.17 -0.12 0.00 1.68 0.00 0.00 54.58 56.22 1xhe n ASN 49 Cb 0.50 1.00 -0.10 0.00 -1.54 0.00 0.00 39.78 39.64 1xhe n ASN 49 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xhe s LEU 50 N -4.95 0.05 -0.13 3.41 2.96 -1.04 -3.68 118.68 115.30 1xhe s LEU 50 Ca -0.03 0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1xhe s LEU 50 Cb 0.11 1.48 -0.02 0.00 0.50 0.00 0.00 46.19 48.27 1xhe s LEU 50 CO 0.83 -0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.88 1xhe s VAL 51 N 0.87 3.23 -0.21 1.68 1.01 -0.40 -0.44 120.40 126.14 1xhe s VAL 51 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1xhe s VAL 51 Cb -0.06 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1xhe s VAL 51 CO -0.07 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 1xhe s ILE 52 N 0.28 3.43 0.03 2.22 1.01 -0.18 -0.76 121.20 127.22 1xhe s ILE 52 Ca -0.08 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1xhe s ILE 52 Cb -0.15 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1xhe s ILE 52 CO 0.05 0.43 -0.24 -0.32 0.00 0.00 0.00 174.94 174.86 1xhe s MET 53 N 1.32 1.70 0.11 2.79 1.75 -0.27 -0.81 119.30 125.90 1xhe s MET 53 Ca 0.04 -0.98 -0.28 0.00 -1.25 0.00 0.00 55.69 53.21 1xhe s MET 53 Cb -0.14 -1.79 -0.06 0.00 2.84 0.00 0.00 34.83 35.67 1xhe s MET 53 CO -0.02 0.47 0.90 0.34 -0.65 0.00 0.00 175.02 176.06 1xhe s ASP 54 N -1.03 7.44 0.31 1.11 -1.08 -0.78 0.71 116.67 123.35 1xhe s ASP 54 Ca 0.10 1.72 0.09 0.00 -0.52 0.00 0.00 52.55 53.93 1xhe s ASP 54 Cb -0.09 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.33 1xhe s ASP 54 CO 0.01 -0.01 1.72 0.40 0.52 0.00 0.00 175.17 177.82 1xhe h ILE 55 N 3.93 1.32 -3.73 4.11 2.04 -1.73 -3.36 117.51 120.08 1xhe h ILE 55 Ca -0.44 -1.54 -0.65 0.00 1.00 0.00 0.00 64.86 63.23 1xhe h ILE 55 Cb 1.21 1.76 -0.21 0.00 -0.74 0.00 0.00 36.82 38.84 1xhe h ILE 55 CO 0.71 0.45 -0.58 0.20 0.00 0.00 0.00 178.15 178.93 1xhe s ASN 56 N -6.89 5.52 -0.29 1.72 0.01 -1.26 -1.81 114.94 111.93 1xhe s ASN 56 Ca -0.04 -0.20 -0.15 0.00 -0.71 0.00 0.00 52.86 51.77 1xhe s ASN 56 Cb 0.14 -2.01 0.13 0.00 0.41 0.00 0.00 41.25 39.92 1xhe s ASN 56 CO 0.76 -0.07 0.86 -0.22 -1.51 0.00 0.00 177.10 176.92 1xhe s LEU 57 N 1.67 -0.72 0.66 0.60 2.96 -1.26 -4.90 118.68 117.69 1xhe s LEU 57 Ca 0.06 1.08 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 1xhe s LEU 57 Cb -0.16 1.96 -0.00 0.00 0.50 0.00 0.00 46.19 48.49 1xhe s LEU 57 CO 0.07 -0.16 1.26 -2.16 -1.32 0.00 0.00 176.35 174.03 1xhe s PRO 58 N 1.84 2.52 2.94 0.98 0.04 -1.26 -4.29 135.00 137.76 1xhe s PRO 58 Ca -0.08 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1xhe s PRO 58 Cb -0.06 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1xhe s PRO 58 CO -0.17 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1xhe n GLY 59 N 0.70 -0.27 3.61 0.56 0.00 -1.26 -4.82 105.19 103.71 1xhe n GLY 59 Ca 0.15 -1.04 -0.59 0.00 0.00 0.00 0.00 46.02 44.54 1xhe n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xhe n LYS 60 N 0.00 0.50 -1.82 1.61 4.81 -1.26 -4.90 118.16 117.09 1xhe n LYS 60 Ca 0.00 0.18 -0.34 0.00 -0.87 0.00 0.00 58.31 57.28 1xhe n LYS 60 Cb 0.00 -1.75 0.05 0.00 0.02 0.00 0.00 35.03 33.35 1xhe n LYS 60 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xhe s ASN 61 N 1.33 5.02 0.56 3.14 2.20 -1.26 -4.80 114.94 121.13 1xhe s ASN 61 Ca 0.93 2.19 0.25 0.00 -0.94 0.00 0.00 52.86 55.30 1xhe s ASN 61 Cb -1.20 -2.58 1.53 0.00 -2.00 0.00 0.00 41.25 37.01 1xhe s ASN 61 CO 0.61 -1.70 2.12 1.23 -2.94 0.00 0.00 177.10 176.42 1xhe h GLY 62 N 0.34 0.00 1.33 0.45 0.00 -1.51 -0.72 103.07 102.96 1xhe h GLY 62 Ca -0.48 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1xhe h GLY 62 CO 0.54 0.00 -0.25 1.41 0.00 0.00 0.00 176.54 178.24 1xhe h LEU 63 N 0.00 0.78 -0.06 3.11 3.38 -1.86 -0.33 115.31 120.33 1xhe h LEU 63 Ca 0.08 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1xhe h LEU 63 Cb 0.39 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1xhe h LEU 63 CO -0.00 1.00 -0.45 0.25 0.09 0.00 0.00 178.44 179.33 1xhe h LEU 64 N 0.66 0.50 -0.78 1.67 5.85 -1.55 -1.11 115.31 120.56 1xhe h LEU 64 Ca 0.09 -0.68 0.09 0.00 0.84 0.00 0.00 57.88 58.22 1xhe h LEU 64 Cb 0.76 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1xhe h LEU 64 CO 0.06 1.10 0.43 -0.07 -0.34 0.00 0.00 178.44 179.63 1xhe h LEU 65 N -0.06 0.60 -1.07 2.25 -0.00 -1.23 -0.67 115.31 115.13 1xhe h LEU 65 Ca -0.04 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 1xhe h LEU 65 Cb 1.12 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1xhe h LEU 65 CO 0.09 0.34 -0.26 0.00 -0.00 0.00 0.00 178.44 178.61 1xhe h ALA 66 N 1.44 1.22 -0.40 1.53 0.00 -0.86 0.90 119.26 123.09 1xhe h ALA 66 Ca 0.38 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1xhe h ALA 66 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xhe h ALA 66 CO -0.25 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 1xhe h ARG 67 N 0.30 0.70 0.10 0.00 3.08 -0.28 -1.15 114.38 117.12 1xhe h ARG 67 Ca 0.05 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1xhe h ARG 67 Cb 0.63 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1xhe h ARG 67 CO 0.04 0.80 -0.05 0.93 -1.07 0.00 0.00 179.97 180.62 1xhe h GLU 68 N 0.53 -0.13 -0.78 0.04 5.08 -0.91 -1.82 114.58 116.59 1xhe h GLU 68 Ca 0.11 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 1xhe h GLU 68 Cb 0.48 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.64 1xhe h GLU 68 CO 0.02 0.10 0.14 1.25 -1.00 0.00 0.00 179.01 179.52 1xhe h LEU 69 N -0.34 -0.10 -0.80 1.33 6.46 -0.74 -1.30 115.31 119.81 1xhe h LEU 69 Ca -0.01 0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1xhe h LEU 69 Cb 0.28 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1xhe h LEU 69 CO 0.02 -0.11 -0.18 0.03 -0.62 0.00 0.00 178.44 177.58 1xhe h ARG 70 N 0.20 0.00 -0.04 1.25 2.47 -0.73 0.27 114.38 117.81 1xhe h ARG 70 Ca 0.45 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 59.05 1xhe h ARG 70 Cb 0.82 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1xhe h ARG 70 CO -0.60 0.18 -0.55 0.93 0.56 0.00 0.00 179.97 180.50 1xhe h GLU 71 N 0.00 0.11 0.02 0.04 5.08 -0.41 -3.34 114.58 116.08 1xhe h GLU 71 Ca -0.00 -0.07 -0.36 0.00 -1.00 0.00 0.00 59.36 57.93 1xhe h GLU 71 Cb 0.85 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1xhe h GLU 71 CO 0.02 0.63 -2.27 0.94 -1.00 0.00 0.00 179.01 177.34 1xhe n GLN 72 N -3.90 0.68 -3.88 2.33 7.27 -0.91 -5.05 117.38 113.91 1xhe n GLN 72 Ca -0.02 0.12 -0.11 0.00 0.07 0.00 0.00 57.00 57.07 1xhe n GLN 72 Cb 0.56 -1.59 -0.10 0.00 2.41 0.00 0.00 30.24 31.53 1xhe n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xhe s ALA 73 N -2.52 -0.26 -0.52 1.69 0.00 0.91 -5.06 121.76 116.00 1xhe s ALA 73 Ca -0.19 -0.26 0.16 0.00 0.00 0.00 0.00 51.96 51.67 1xhe s ALA 73 Cb 0.07 0.17 0.66 0.00 0.00 0.00 0.00 23.12 24.02 1xhe s ALA 73 CO 0.75 -0.25 1.58 0.27 0.00 0.00 0.00 175.76 178.10 1xhe n ASN 74 N 1.19 4.67 -4.47 0.00 6.94 -1.26 -4.10 115.26 118.23 1xhe n ASN 74 Ca -0.21 -2.75 -0.43 0.00 -0.02 0.00 0.00 54.58 51.16 1xhe n ASN 74 Cb 0.57 -0.57 -0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1xhe n ASN 74 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1xhe n VAL 75 N 0.39 1.82 -1.70 3.53 3.14 -1.26 -4.88 118.33 119.37 1xhe n VAL 75 Ca 0.24 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.69 1xhe n VAL 75 Cb 0.96 -0.55 -0.02 0.00 -1.06 0.00 0.00 33.84 33.17 1xhe n VAL 75 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xhe n ALA 76 N -0.53 1.57 -3.71 1.55 0.00 -1.24 -4.90 120.51 113.25 1xhe n ALA 76 Ca 0.12 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 1xhe n ALA 76 Cb 0.36 -2.32 -0.16 0.00 0.00 0.00 0.00 19.45 17.32 1xhe n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xhe s LEU 77 N -0.39 0.46 -0.03 0.00 2.96 -1.26 -1.27 118.68 119.14 1xhe s LEU 77 Ca 0.64 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 1xhe s LEU 77 Cb -0.58 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1xhe s LEU 77 CO 0.53 -0.20 -0.24 -0.04 -1.32 0.00 0.00 176.35 175.08 1xhe s MET 78 N 1.72 2.13 0.25 1.98 -1.94 0.06 -0.16 119.30 123.35 1xhe s MET 78 Ca -0.02 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 53.00 1xhe s MET 78 Cb -0.12 -1.94 -0.08 0.00 2.01 0.00 0.00 34.83 34.70 1xhe s MET 78 CO -0.04 0.44 0.61 -0.06 -0.01 0.00 0.00 175.02 175.96 1xhe s PHE 79 N -0.36 3.42 0.07 -0.03 0.08 -0.30 -1.11 117.98 119.75 1xhe s PHE 79 Ca 0.03 1.00 0.06 0.00 0.12 0.00 0.00 56.93 58.15 1xhe s PHE 79 Cb -0.11 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1xhe s PHE 79 CO 0.01 0.22 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.73 1xhe s LEU 80 N -2.81 2.95 -0.14 -0.37 1.02 0.22 -0.50 118.68 119.05 1xhe s LEU 80 Ca 0.49 -0.36 -0.10 0.00 0.02 0.00 0.00 54.13 54.18 1xhe s LEU 80 Cb -0.11 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.39 1xhe s LEU 80 CO 0.20 0.21 0.35 0.28 0.02 0.00 0.00 176.35 177.41 1xhe s THR 81 N -1.11 -0.01 -2.02 5.49 -1.32 -0.32 -1.94 115.64 114.41 1xhe s THR 81 Ca 0.19 0.04 0.10 0.00 -1.21 0.00 0.00 61.69 60.81 1xhe s THR 81 Cb -0.11 -0.50 0.29 0.00 -1.51 0.00 0.00 72.50 70.67 1xhe s THR 81 CO 0.11 0.02 1.26 0.61 -2.21 0.00 0.00 174.62 174.40 1xhe n GLY 82 N 3.38 0.38 2.99 6.08 0.00 -1.26 0.00 105.19 116.77 1xhe n GLY 82 Ca -0.17 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1xhe n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xhe s ARG 83 N -1.62 1.86 -0.07 1.61 3.03 -1.26 -4.78 118.95 117.71 1xhe s ARG 83 Ca 0.21 -1.19 -0.30 0.00 2.03 0.00 0.00 55.73 56.49 1xhe s ARG 83 Cb 0.11 -2.74 -0.05 0.00 -1.03 0.00 0.00 34.95 31.25 1xhe s ARG 83 CO 0.15 -0.61 1.53 0.34 -1.13 0.00 0.00 175.30 175.58 1xhe s ASP 84 N 1.25 6.75 -0.30 -2.89 2.15 -1.26 -4.94 116.67 117.43 1xhe s ASP 84 Ca -0.06 2.10 -0.07 0.00 0.43 0.00 0.00 52.55 54.95 1xhe s ASP 84 Cb -0.19 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.07 1xhe s ASP 84 CO -0.06 -0.86 0.80 0.21 -0.17 0.00 0.00 175.17 175.09 1xhe s ASN 85 N 2.80 -0.98 0.23 -0.34 3.84 -1.26 -5.09 114.94 114.15 1xhe s ASN 85 Ca 0.68 0.69 -0.08 0.00 0.21 0.00 0.00 52.86 54.35 1xhe s ASN 85 Cb -0.30 1.85 0.21 0.00 -0.55 0.00 0.00 41.25 42.45 1xhe s ASN 85 CO 0.26 -0.18 1.90 -0.33 -2.79 0.00 0.00 177.10 175.95 1xhe h GLU 86 N 7.97 1.17 -0.25 0.43 4.39 -1.99 -2.25 114.58 124.04 1xhe h GLU 86 Ca -0.19 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1xhe h GLU 86 Cb 1.16 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1xhe h GLU 86 CO 0.11 0.78 -0.00 0.28 -1.16 0.00 0.00 179.01 179.02 1xhe h VAL 87 N 1.20 1.26 -0.71 3.13 2.07 -1.99 -0.53 116.25 120.67 1xhe h VAL 87 Ca 0.32 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1xhe h VAL 87 Cb -0.12 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1xhe h VAL 87 CO -0.07 0.29 0.38 0.44 0.02 0.00 0.00 177.57 178.63 1xhe h ASP 88 N 0.22 0.89 0.28 0.57 5.19 -1.95 0.36 116.42 121.98 1xhe h ASP 88 Ca 0.07 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1xhe h ASP 88 Cb 0.42 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1xhe h ASP 88 CO 0.01 0.73 -0.14 0.50 -3.12 0.00 0.00 179.24 177.22 1xhe h LYS 89 N 1.00 -0.37 -0.39 3.56 3.64 -1.04 -1.59 116.57 121.38 1xhe h LYS 89 Ca 0.25 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1xhe h LYS 89 Cb 0.04 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1xhe h LYS 89 CO -0.04 -0.19 -0.07 0.82 -2.27 0.00 0.00 179.45 177.70 1xhe h ILE 90 N -0.46 1.27 -0.17 2.00 5.03 -0.92 -1.90 117.51 122.36 1xhe h ILE 90 Ca -0.04 -1.14 0.05 0.00 -0.12 0.00 0.00 64.86 63.61 1xhe h ILE 90 Cb 0.35 1.22 -0.05 0.00 -3.03 0.00 0.00 36.82 35.30 1xhe h ILE 90 CO 0.06 0.38 -0.18 -0.07 -0.68 0.00 0.00 178.15 177.67 1xhe h LEU 91 N 0.54 -0.56 -0.86 1.44 3.38 -0.95 0.35 115.31 118.65 1xhe h LEU 91 Ca 0.10 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xhe h LEU 91 Cb 0.58 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1xhe h LEU 91 CO 0.03 -0.22 0.47 1.23 0.09 0.00 0.00 178.44 180.04 1xhe h GLY 92 N -0.20 1.29 0.84 0.83 0.00 -1.22 0.20 103.07 104.80 1xhe h GLY 92 Ca 0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1xhe h GLY 92 CO -0.29 0.56 0.03 1.41 0.00 0.00 0.00 176.54 178.25 1xhe h LEU 93 N 1.20 0.33 -0.91 3.11 3.38 -1.09 -1.47 115.31 119.86 1xhe h LEU 93 Ca 0.30 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1xhe h LEU 93 Cb 0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1xhe h LEU 93 CO -0.05 0.51 0.55 -0.08 0.09 0.00 0.00 178.44 179.46 1xhe h GLU 94 N 0.13 0.87 0.00 1.13 4.57 0.44 0.12 114.58 121.84 1xhe h GLU 94 Ca 0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xhe h GLU 94 Cb 0.32 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1xhe h GLU 94 CO 0.00 0.58 0.00 0.44 -1.18 0.00 0.00 179.01 178.85 1xhe n ILE 95 N -4.68 0.02 0.00 2.32 -6.64 0.62 -4.85 119.36 106.16 1xhe n ILE 95 Ca 0.16 0.01 0.00 0.00 -1.77 0.00 0.00 62.75 61.15 1xhe n ILE 95 Cb 0.30 -0.54 0.00 0.00 -1.44 0.00 0.00 39.64 37.96 1xhe n ILE 95 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1xhe n GLY 96 N 0.93 1.51 3.75 3.28 0.00 0.40 -4.87 105.19 110.19 1xhe n GLY 96 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1xhe n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhe s ALA 97 N -2.00 3.56 -0.00 4.61 0.00 -0.56 -4.83 121.76 122.54 1xhe s ALA 97 Ca 0.00 1.25 0.21 0.00 0.00 0.00 0.00 51.96 53.41 1xhe s ALA 97 Cb 0.00 -3.51 0.59 0.00 0.00 0.00 0.00 23.12 20.19 1xhe s ALA 97 CO 0.00 -0.65 1.68 -0.44 0.00 0.00 0.00 175.76 176.35 1xhe h ASP 98 N 4.68 0.00 -5.12 0.00 3.32 -0.88 -3.41 116.42 115.02 1xhe h ASP 98 Ca -0.46 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1xhe h ASP 98 Cb 1.22 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.68 1xhe h ASP 98 CO 0.74 0.31 0.02 -0.62 -1.72 0.00 0.00 179.24 177.96 1xhe s ASP 99 N -6.29 -0.21 -0.09 6.45 -1.08 -1.14 -5.02 116.67 109.30 1xhe s ASP 99 Ca 0.02 -0.63 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1xhe s ASP 99 Cb 0.09 0.60 0.04 0.00 -1.46 0.00 0.00 42.92 42.20 1xhe s ASP 99 CO 0.68 -1.13 0.09 -0.47 0.52 0.00 0.00 175.17 174.86 1xhe s TYR 100 N -3.92 0.05 -0.07 -5.34 6.14 -1.26 -1.15 117.35 111.80 1xhe s TYR 100 Ca 0.13 0.15 0.04 0.00 0.64 0.00 0.00 57.07 58.03 1xhe s TYR 100 Cb -0.02 -0.50 0.00 0.00 0.42 0.00 0.00 41.96 41.86 1xhe s TYR 100 CO 0.02 -0.31 -0.19 0.42 0.64 0.00 0.00 175.55 176.13 1xhe s ILE 101 N 2.19 1.63 0.02 3.14 1.01 0.34 -4.96 121.20 124.57 1xhe s ILE 101 Ca 0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 1xhe s ILE 101 Cb -0.13 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1xhe s ILE 101 CO -0.05 0.46 0.12 0.42 0.00 0.00 0.00 174.94 175.89 1xhe s THR 102 N 0.24 4.94 0.48 2.92 -4.23 -1.26 -1.17 115.64 117.56 1xhe s THR 102 Ca -0.11 -0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1xhe s THR 102 Cb -0.15 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.31 1xhe s THR 102 CO 0.05 0.27 1.19 -0.54 -0.54 0.00 0.00 174.62 175.04 1xhe s LYS 103 N -2.04 3.61 0.27 3.99 3.01 0.10 -3.48 119.74 125.20 1xhe s LYS 103 Ca 0.27 1.81 -0.16 0.00 -1.01 0.00 0.00 55.97 56.88 1xhe s LYS 103 Cb -0.12 -2.32 -0.08 0.00 -1.01 0.00 0.00 37.83 34.29 1xhe s LYS 103 CO 0.19 -0.69 0.70 -1.25 0.51 0.00 0.00 175.35 174.81 1xhe s PRO 104 N -2.81 4.06 0.22 -1.68 0.04 -1.26 -4.82 135.00 128.75 1xhe s PRO 104 Ca 0.66 0.68 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1xhe s PRO 104 Cb -0.29 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1xhe s PRO 104 CO 0.35 0.27 -0.12 -0.59 0.04 0.00 0.00 177.00 176.95 1xhe s PHE 105 N -1.78 2.53 -0.13 0.56 -0.71 -1.23 -5.09 117.98 112.13 1xhe s PHE 105 Ca 0.49 -0.26 -0.29 0.00 -1.04 0.00 0.00 56.93 55.82 1xhe s PHE 105 Cb -0.13 -1.19 -0.01 0.00 -1.21 0.00 0.00 43.02 40.48 1xhe s PHE 105 CO 0.19 0.56 1.02 1.21 -1.34 0.00 0.00 175.22 176.87 1xhe s ASN 106 N -3.07 7.21 0.37 1.98 3.84 -1.26 -4.93 114.94 119.08 1xhe s ASN 106 Ca 0.26 1.50 0.13 0.00 0.21 0.00 0.00 52.86 54.97 1xhe s ASN 106 Cb -0.08 -2.55 0.95 0.00 -0.55 0.00 0.00 41.25 39.02 1xhe s ASN 106 CO 0.15 -0.50 1.82 -0.65 -2.79 0.00 0.00 177.10 175.13 1xhe h PRO 107 N 7.19 0.54 -0.54 0.43 0.11 -2.00 -1.35 132.00 136.38 1xhe h PRO 107 Ca -0.28 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 1xhe h PRO 107 Cb 1.13 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1xhe h PRO 107 CO 0.89 0.36 -0.02 0.00 -0.21 0.00 0.00 178.00 179.01 1xhe h ARG 108 N 0.55 0.94 -0.75 1.05 2.47 -1.99 -1.19 114.38 115.46 1xhe h ARG 108 Ca 0.51 -0.28 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1xhe h ARG 108 Cb 1.07 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 1xhe h ARG 108 CO -0.25 0.94 0.34 1.49 0.56 0.00 0.00 179.97 183.04 1xhe h GLU 109 N 0.86 1.09 0.05 0.04 4.81 -1.66 -0.83 114.58 118.93 1xhe h GLU 109 Ca 0.16 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xhe h GLU 109 Cb 0.53 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xhe h GLU 109 CO 0.03 0.87 -0.02 1.25 -0.73 0.00 0.00 179.01 180.40 1xhe h LEU 110 N 1.06 -0.06 -0.35 1.64 5.85 -1.09 -0.05 115.31 122.31 1xhe h LEU 110 Ca 0.25 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1xhe h LEU 110 Cb 0.15 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1xhe h LEU 110 CO -0.03 0.02 -0.83 0.71 -0.34 0.00 0.00 178.44 177.97 1xhe h THR 111 N -0.13 1.55 -0.44 1.05 1.35 -1.14 -0.61 112.91 114.55 1xhe h THR 111 Ca -0.01 -2.72 -0.11 0.00 -0.55 0.00 0.00 66.41 63.03 1xhe h THR 111 Cb 0.11 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1xhe h THR 111 CO 0.01 0.78 -0.14 0.40 -0.25 0.00 0.00 175.52 176.32 1xhe h ILE 112 N 0.04 1.27 -0.77 6.82 2.04 -1.12 -0.48 117.51 125.31 1xhe h ILE 112 Ca -0.02 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 1xhe h ILE 112 Cb 1.45 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 1xhe h ILE 112 CO 0.11 0.43 0.30 0.03 0.00 0.00 0.00 178.15 179.03 1xhe h ARG 113 N 0.70 1.15 -0.44 2.37 3.08 -0.85 -0.31 114.38 120.09 1xhe h ARG 113 Ca 0.11 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1xhe h ARG 113 Cb 0.70 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1xhe h ARG 113 CO 0.05 0.93 0.19 0.00 -1.07 0.00 0.00 179.97 180.08 1xhe h ALA 114 N 1.20 0.57 -0.42 0.04 0.00 -1.06 -1.58 119.26 118.02 1xhe h ALA 114 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xhe h ALA 114 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xhe h ALA 114 CO -0.02 0.15 0.25 -0.09 0.00 0.00 0.00 179.25 179.54 1xhe h ARG 115 N 0.57 0.57 -0.64 0.00 2.43 -0.65 0.11 114.38 116.77 1xhe h ARG 115 Ca 0.15 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1xhe h ARG 115 Cb 0.15 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1xhe h ARG 115 CO -0.02 0.43 0.08 -0.91 -1.51 0.00 0.00 179.97 178.05 1xhe h ASN 116 N 0.55 1.03 -0.21 -3.80 2.35 -0.86 -1.14 115.58 113.50 1xhe h ASN 116 Ca 0.15 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1xhe h ASN 116 Cb 0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1xhe h ASN 116 CO -0.03 1.04 0.04 0.25 -1.65 0.00 0.00 177.43 177.08 1xhe h LEU 117 N 0.98 0.33 -1.94 1.61 5.85 -1.08 -2.62 115.31 118.43 1xhe h LEU 117 Ca 0.19 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1xhe h LEU 117 Cb 0.46 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xhe h LEU 117 CO 0.02 0.50 0.06 -0.07 -0.34 0.00 0.00 178.44 178.61 1xhe h LEU 118 N 0.14 0.06 -1.05 2.25 4.07 -0.60 -1.24 115.31 118.95 1xhe h LEU 118 Ca 0.06 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 1xhe h LEU 118 Cb 0.31 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1xhe h LEU 118 CO 0.00 0.05 -0.26 0.28 -1.08 0.00 0.00 178.44 177.43 1xhe h SER 119 N 0.07 0.36 0.74 -0.43 0.02 -0.84 -0.77 113.55 112.71 1xhe h SER 119 Ca 0.04 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 1xhe h SER 119 Cb 0.06 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xhe h SER 119 CO -0.01 0.62 -1.09 0.03 -1.14 0.00 0.00 176.83 175.25 1xhe h ARG 120 N 0.33 0.17 0.00 3.45 3.08 -1.15 -3.40 114.38 116.86 1xhe h ARG 120 Ca 0.05 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.67 1xhe h ARG 120 Cb 0.63 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1xhe h ARG 120 CO 0.05 1.09 -2.16 0.25 -1.07 0.00 0.00 179.97 178.13 1xhe n THR 121 N -3.50 0.63 -2.91 2.04 -2.24 -0.56 -4.76 114.28 102.98 1xhe n THR 121 Ca -0.05 -0.66 -0.44 0.00 -2.27 0.00 0.00 64.05 60.64 1xhe n THR 121 Cb 0.95 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1xhe n THR 121 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1xhe s MET 122 N -3.03 3.26 0.00 -0.78 -1.94 -0.31 -5.07 119.30 111.43 1xhe s MET 122 Ca -0.09 -1.20 0.09 0.00 -1.71 0.00 0.00 55.69 52.78 1xhe s MET 122 Cb 0.10 -4.46 0.07 0.00 2.01 0.00 0.00 34.83 32.55 1xhe s MET 122 CO 0.86 -1.77 0.79 1.04 -0.01 0.00 0.00 175.02 175.93