#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpj s LYS 2 N 0.00 0.06 -0.02 2.12 -2.85 -1.26 -5.11 119.74 112.68 1xpj s LYS 2 Ca 0.00 0.06 0.03 0.00 -1.00 0.00 0.00 55.97 55.06 1xpj s LYS 2 Cb 0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1xpj s LYS 2 CO 0.00 -0.07 -0.12 0.15 0.10 0.00 0.00 175.35 175.42 1xpj s LYS 3 N 0.48 1.06 -0.20 1.78 1.02 -1.26 -1.39 119.74 121.22 1xpj s LYS 3 Ca -0.04 -0.41 -0.13 0.00 0.02 0.00 0.00 55.97 55.41 1xpj s LYS 3 Cb -0.06 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.21 1xpj s LYS 3 CO -0.01 0.21 0.26 -0.51 -0.92 0.00 0.00 175.35 174.38 1xpj s LEU 4 N -0.10 4.17 -0.36 3.17 1.43 -0.05 -4.94 118.68 122.00 1xpj s LEU 4 Ca 0.01 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1xpj s LEU 4 Cb -0.07 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1xpj s LEU 4 CO 0.00 0.04 0.23 -0.63 0.23 0.00 0.00 176.35 176.23 1xpj s ILE 5 N 0.90 5.00 -0.16 -0.59 -1.09 -1.26 -1.05 121.20 122.95 1xpj s ILE 5 Ca 0.13 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1xpj s ILE 5 Cb -0.13 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1xpj s ILE 5 CO 0.05 -0.11 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.77 1xpj s VAL 6 N 1.66 2.31 0.81 2.92 1.01 0.71 -4.94 120.40 124.87 1xpj s VAL 6 Ca 0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1xpj s VAL 6 Cb -0.18 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1xpj s VAL 6 CO 0.09 0.53 1.09 -0.62 0.00 0.00 0.00 175.10 176.19 1xpj s ASP 7 N 1.03 4.20 -0.05 3.32 2.15 -1.25 -0.53 116.67 125.53 1xpj s ASP 7 Ca -0.01 1.72 -0.06 0.00 0.43 0.00 0.00 52.55 54.63 1xpj s ASP 7 Cb -0.14 -2.42 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1xpj s ASP 7 CO -0.05 -2.21 -0.11 -0.11 -0.17 0.00 0.00 175.17 172.51 1xpj n LEU 8 N -3.63 0.69 -4.72 -1.34 7.94 -1.25 -4.04 117.00 110.65 1xpj n LEU 8 Ca 0.08 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 1xpj n LEU 8 Cb 0.54 -0.54 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1xpj n LEU 8 CO 0.54 -0.44 1.00 -1.81 -1.11 0.00 0.00 177.39 175.57 1xpj s ASP 9 N -4.79 6.92 0.00 1.96 1.01 -1.26 -0.41 116.67 120.10 1xpj s ASP 9 Ca -0.10 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.38 1xpj s ASP 9 Cb 0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1xpj s ASP 9 CO 0.14 -0.58 0.00 0.61 0.21 0.00 0.00 175.17 175.55 1xpj n GLY 10 N 3.36 2.45 0.57 0.21 0.00 -1.12 -4.75 105.19 105.91 1xpj n GLY 10 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1xpj n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xpj n THR 11 N -2.00 0.97 0.03 2.61 -1.04 -1.08 -4.74 114.28 109.03 1xpj n THR 11 Ca 0.00 -0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.06 1xpj n THR 11 Cb 0.00 -1.79 -0.10 0.00 -1.82 0.00 0.00 70.33 66.62 1xpj n THR 11 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xpj n LEU 12 N -3.75 0.40 -4.69 -4.42 4.77 0.45 -4.77 117.00 104.99 1xpj n LEU 12 Ca -0.21 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 1xpj n LEU 12 Cb 0.55 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1xpj n LEU 12 CO 0.05 -0.03 -0.25 0.42 -1.33 0.00 0.00 177.39 176.25 1xpj s THR 13 N -3.34 3.03 -1.97 -5.08 -4.23 -0.96 -0.68 115.64 102.41 1xpj s THR 13 Ca -0.05 -1.81 0.28 0.00 -1.18 0.00 0.00 61.69 58.92 1xpj s THR 13 Cb 0.11 -2.90 0.43 0.00 1.34 0.00 0.00 72.50 71.48 1xpj s THR 13 CO 0.85 -0.23 1.73 0.00 -0.54 0.00 0.00 174.62 176.43 1xpj n GLN 14 N -1.04 1.06 -3.32 3.99 6.02 -0.18 -2.79 117.38 121.11 1xpj n GLN 14 Ca -0.04 -0.54 -0.24 0.00 -0.01 0.00 0.00 57.00 56.16 1xpj n GLN 14 Cb 0.61 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.40 1xpj n GLN 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xpj n ALA 15 N -0.50 -1.08 0.42 -1.58 0.00 -1.26 -4.84 120.51 111.67 1xpj n ALA 15 Ca 0.15 0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1xpj n ALA 15 Cb 0.32 -3.67 0.19 0.00 0.00 0.00 0.00 19.45 16.29 1xpj n ALA 15 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1xpj h ASN 16 N -1.42 0.00 -4.83 0.00 -1.07 -1.92 -3.47 115.58 102.87 1xpj h ASN 16 Ca -0.50 -0.08 -0.11 0.00 0.07 0.00 0.00 56.30 55.68 1xpj h ASN 16 Cb 1.34 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.38 1xpj h ASN 16 CO 0.57 0.04 -0.19 0.28 0.07 0.00 0.00 177.43 178.20 1xpj s THR 17 N -3.20 0.04 -1.08 6.14 -1.32 -1.26 -5.03 115.64 109.93 1xpj s THR 17 Ca 0.06 -0.33 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1xpj s THR 17 Cb 0.11 -0.68 0.23 0.00 -1.51 0.00 0.00 72.50 70.65 1xpj s THR 17 CO 0.70 -0.18 1.74 -1.54 -2.21 0.00 0.00 174.62 173.13 1xpj n SER 18 N 1.43 0.00 -4.55 8.08 3.41 -1.26 -4.46 113.62 116.28 1xpj n SER 18 Ca -0.20 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.39 1xpj n SER 18 Cb 0.56 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1xpj n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xpj s ASP 19 N -2.92 6.59 0.52 4.04 2.15 -1.26 -4.89 116.67 120.90 1xpj s ASP 19 Ca 0.13 -1.73 0.18 0.00 0.43 0.00 0.00 52.55 51.57 1xpj s ASP 19 Cb 0.15 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.51 1xpj s ASP 19 CO 0.41 -1.38 2.10 1.88 -0.17 0.00 0.00 175.17 178.01 1xpj h TYR 20 N 9.25 0.03 -0.99 -5.34 0.05 -1.99 -1.76 116.97 116.22 1xpj h TYR 20 Ca 0.24 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.07 1xpj h TYR 20 Cb 0.99 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.65 1xpj h TYR 20 CO 1.28 0.02 0.65 -0.09 -1.05 0.00 0.00 178.16 178.97 1xpj h ARG 21 N 0.03 1.18 -0.31 4.88 2.43 -1.90 -3.17 114.38 117.52 1xpj h ARG 21 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xpj h ARG 21 Cb 0.32 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1xpj h ARG 21 CO -0.00 0.78 0.00 0.09 -1.51 0.00 0.00 179.97 179.33 1xpj n ASN 22 N -4.48 3.26 -4.76 -3.80 3.02 -0.70 -4.90 115.26 102.90 1xpj n ASN 22 Ca 0.14 -2.36 -0.41 0.00 -0.03 0.00 0.00 54.58 51.92 1xpj n ASN 22 Cb 0.13 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1xpj n ASN 22 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xpj s VAL 23 N -1.65 3.00 0.31 2.41 0.11 -1.00 -4.97 120.40 118.62 1xpj s VAL 23 Ca 0.30 0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 60.00 1xpj s VAL 23 Cb 0.20 -3.60 -0.10 0.00 -1.53 0.00 0.00 36.38 31.34 1xpj s VAL 23 CO 0.13 0.20 1.38 -0.76 -3.33 0.00 0.00 175.10 172.72 1xpj s LEU 24 N -1.19 4.39 0.33 2.54 1.43 -1.26 -4.89 118.68 120.04 1xpj s LEU 24 Ca 0.51 2.75 -0.26 0.00 -1.03 0.00 0.00 54.13 56.09 1xpj s LEU 24 Cb -0.37 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 1xpj s LEU 24 CO 0.46 -0.65 1.01 -2.16 0.23 0.00 0.00 176.35 175.24 1xpj s PRO 25 N -1.42 4.47 -0.90 1.29 0.04 -1.26 -1.01 135.00 136.21 1xpj s PRO 25 Ca 0.53 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 1xpj s PRO 25 Cb -0.42 -2.82 0.11 0.00 0.04 0.00 0.00 34.50 31.41 1xpj s PRO 25 CO 0.52 0.14 1.14 1.03 0.04 0.00 0.00 177.00 179.88 1xpj s ARG 26 N -2.02 3.51 0.23 4.56 0.52 0.14 -4.70 118.95 121.20 1xpj s ARG 26 Ca 0.51 -1.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1xpj s ARG 26 Cb -0.23 -4.86 0.25 0.00 0.52 0.00 0.00 34.95 30.63 1xpj s ARG 26 CO 0.29 -1.84 1.71 -0.07 0.02 0.00 0.00 175.30 175.41 1xpj h LEU 27 N 10.91 0.84 -0.32 2.53 3.38 -1.94 -2.01 115.31 128.69 1xpj h LEU 27 Ca 0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xpj h LEU 27 Cb 1.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xpj h LEU 27 CO 1.16 0.92 0.13 -2.24 0.09 0.00 0.00 178.44 178.50 1xpj h ASP 28 N 0.80 0.45 -0.42 -0.43 2.03 -1.99 -1.43 116.42 115.43 1xpj h ASP 28 Ca 0.15 -0.17 -0.02 0.00 -0.73 0.00 0.00 57.03 56.26 1xpj h ASP 28 Cb 0.51 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 1xpj h ASP 28 CO 0.03 0.49 0.18 0.58 -1.03 0.00 0.00 179.24 179.49 1xpj h VAL 29 N 0.37 1.19 -0.65 4.15 2.07 -1.85 -1.58 116.25 119.96 1xpj h VAL 29 Ca 0.11 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1xpj h VAL 29 Cb 0.18 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1xpj h VAL 29 CO -0.01 0.21 0.41 0.40 0.02 0.00 0.00 177.57 178.60 1xpj h ILE 30 N 0.53 1.11 -0.56 4.57 2.04 -1.27 -1.94 117.51 121.99 1xpj h ILE 30 Ca 0.14 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1xpj h ILE 30 Cb 0.16 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1xpj h ILE 30 CO -0.01 0.15 0.06 -0.08 0.00 0.00 0.00 178.15 178.26 1xpj h GLU 31 N 0.81 0.92 -0.60 2.37 4.57 -1.00 -2.03 114.58 119.63 1xpj h GLU 31 Ca 0.25 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1xpj h GLU 31 Cb -0.01 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1xpj h GLU 31 CO -0.09 0.88 0.28 0.37 -1.18 0.00 0.00 179.01 179.27 1xpj h GLN 32 N 0.87 0.85 -0.73 1.92 5.75 -0.97 -1.47 115.11 121.33 1xpj h GLN 32 Ca 0.17 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1xpj h GLN 32 Cb 0.43 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1xpj h GLN 32 CO 0.01 0.66 0.48 1.25 -2.65 0.00 0.00 178.83 178.59 1xpj h LEU 33 N 0.85 0.81 -0.52 -2.39 5.85 -0.70 -1.67 115.31 117.53 1xpj h LEU 33 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1xpj h LEU 33 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1xpj h LEU 33 CO -0.03 0.58 0.24 0.03 -0.34 0.00 0.00 178.44 178.92 1xpj h ARG 34 N 0.96 0.75 -0.05 1.25 3.08 -0.61 -1.30 114.38 118.46 1xpj h ARG 34 Ca 0.27 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xpj h ARG 34 Cb -0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1xpj h ARG 34 CO -0.07 0.64 0.03 0.93 -1.07 0.00 0.00 179.97 180.43 1xpj h GLU 35 N 0.69 0.07 -0.67 0.04 4.39 -1.00 -2.27 114.58 115.83 1xpj h GLU 35 Ca 0.18 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1xpj h GLU 35 Cb 0.14 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1xpj h GLU 35 CO -0.02 0.07 0.40 1.88 -1.16 0.00 0.00 179.01 180.17 1xpj h TYR 36 N 0.04 0.89 -0.93 4.33 -1.99 -1.23 -1.37 116.97 116.72 1xpj h TYR 36 Ca 0.02 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.76 1xpj h TYR 36 Cb 0.02 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.41 1xpj h TYR 36 CO -0.07 0.60 0.61 1.25 -0.00 0.00 0.00 178.16 180.56 1xpj h HIS 37 N 0.93 1.15 -0.08 4.88 2.76 -1.03 -1.70 115.15 122.06 1xpj h HIS 37 Ca 0.24 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 1xpj h HIS 37 Cb -0.02 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 1xpj h HIS 37 CO 0.00 0.71 -0.36 1.96 -1.30 0.00 0.00 177.93 178.95 1xpj h GLN 38 N 1.23 0.16 0.00 5.26 4.20 -0.68 -2.62 115.11 122.66 1xpj h GLN 38 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1xpj h GLN 38 Cb -0.10 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xpj h GLN 38 CO -0.09 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.85 1xpj n LEU 39 N -4.08 0.00 0.00 1.46 4.77 -0.79 -4.88 117.00 113.47 1xpj n LEU 39 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xpj n LEU 39 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1xpj n LEU 39 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1xpj n GLY 40 N 0.85 0.98 3.68 -0.72 0.00 -0.99 -5.07 105.19 103.92 1xpj n GLY 40 Ca 0.22 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1xpj n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xpj s PHE 41 N -2.00 3.48 0.32 1.61 0.08 -0.69 -4.67 117.98 116.12 1xpj s PHE 41 Ca 0.00 1.45 -0.29 0.00 0.12 0.00 0.00 56.93 58.21 1xpj s PHE 41 Cb 0.00 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.25 1xpj s PHE 41 CO 0.00 -0.21 1.24 -1.21 -0.10 0.00 0.00 175.22 174.94 1xpj s GLU 42 N 1.98 4.43 -0.26 0.44 2.02 -0.49 -4.24 118.70 122.59 1xpj s GLU 42 Ca 0.44 2.09 -0.05 0.00 0.02 0.00 0.00 54.97 57.47 1xpj s GLU 42 Cb -0.18 -3.09 -0.00 0.00 0.10 0.00 0.00 34.13 30.96 1xpj s GLU 42 CO 0.16 -0.08 0.02 0.42 0.02 0.00 0.00 175.26 175.80 1xpj s ILE 43 N -1.15 3.67 -0.29 -1.63 -1.09 -1.26 -0.87 121.20 118.57 1xpj s ILE 43 Ca 0.48 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1xpj s ILE 43 Cb -0.37 -2.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.77 1xpj s ILE 43 CO 0.49 0.25 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.75 1xpj s VAL 44 N 1.49 2.92 -0.28 2.92 1.01 -0.21 -0.38 120.40 127.86 1xpj s VAL 44 Ca 0.04 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 1xpj s VAL 44 Cb -0.16 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1xpj s VAL 44 CO -0.00 -0.08 1.05 -0.63 0.00 0.00 0.00 175.10 175.44 1xpj s ILE 45 N 1.25 4.60 -0.13 2.22 -1.09 -0.29 -0.21 121.20 127.56 1xpj s ILE 45 Ca -0.05 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.24 1xpj s ILE 45 Cb -0.20 -4.35 -0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1xpj s ILE 45 CO -0.02 -0.33 -0.20 -0.55 -1.23 0.00 0.00 174.94 172.61 1xpj s SER 46 N 1.44 3.36 -0.02 3.58 0.15 0.31 -0.24 113.70 122.28 1xpj s SER 46 Ca 0.44 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 56.44 1xpj s SER 46 Cb -0.14 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1xpj s SER 46 CO 0.11 0.13 0.28 0.28 1.20 0.00 0.00 173.24 175.24 1xpj s THR 47 N 0.56 0.06 -2.12 6.45 -1.32 -0.52 -3.88 115.64 114.87 1xpj s THR 47 Ca -0.12 -0.46 0.23 0.00 -1.21 0.00 0.00 61.69 60.13 1xpj s THR 47 Cb -0.16 -0.57 0.60 0.00 -1.51 0.00 0.00 72.50 70.86 1xpj s THR 47 CO 0.04 -0.25 1.52 0.00 -2.21 0.00 0.00 174.62 173.71 1xpj n ALA 48 N 1.47 2.39 -1.61 11.08 0.00 -1.26 -2.51 120.51 130.07 1xpj n ALA 48 Ca -0.21 -1.24 -0.50 0.00 0.00 0.00 0.00 53.44 51.49 1xpj n ALA 48 Cb 0.56 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1xpj n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xpj n ARG 49 N 1.65 1.43 -0.97 0.00 0.63 -1.26 -0.96 116.66 117.18 1xpj n ARG 49 Ca 0.24 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1xpj n ARG 49 Cb 0.63 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1xpj n ARG 49 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1xpj n ASN 50 N 2.77 -4.99 -0.15 6.15 3.02 -1.26 -4.84 115.26 115.96 1xpj n ASN 50 Ca 0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.71 1xpj n ASN 50 Cb 0.22 -2.81 0.21 0.00 -0.61 0.00 0.00 39.78 36.78 1xpj n ASN 50 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1xpj h MET 51 N 0.24 0.86 0.67 3.52 2.86 -1.41 -1.86 114.93 119.82 1xpj h MET 51 Ca 0.00 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1xpj h MET 51 Cb 0.74 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1xpj h MET 51 CO 0.00 0.72 -0.32 -0.09 1.06 0.00 0.00 176.91 178.28 1xpj h ARG 52 N 0.85 -0.87 -0.61 1.72 2.43 -1.89 -0.27 114.38 115.73 1xpj h ARG 52 Ca 0.20 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.54 1xpj h ARG 52 Cb 0.20 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 1xpj h ARG 52 CO -0.01 -0.58 -0.25 1.15 -1.51 0.00 0.00 179.97 178.77 1xpj h THR 53 N -1.17 0.26 -0.32 0.20 2.02 -1.95 -1.98 112.91 109.98 1xpj h THR 53 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1xpj h THR 53 Cb 0.69 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xpj h THR 53 CO 0.15 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 1xpj n TYR 54 N -5.44 0.41 -3.67 3.16 4.01 -0.70 -4.95 117.16 109.98 1xpj n TYR 54 Ca 0.06 -0.21 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 1xpj n TYR 54 Cb 0.35 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.41 1xpj n TYR 54 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1xpj n GLU 55 N 0.69 -4.86 -0.98 -0.72 1.02 -0.57 -2.27 120.64 112.96 1xpj n GLU 55 Ca 0.16 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1xpj n GLU 55 Cb 0.39 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1xpj n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xpj n GLY 56 N -1.54 0.70 3.52 0.62 0.00 -0.22 -4.98 105.19 103.29 1xpj n GLY 56 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1xpj n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpj s ASN 57 N -2.48 6.48 0.58 1.61 3.84 -0.96 -4.85 114.94 119.16 1xpj s ASN 57 Ca 0.00 -1.50 0.34 0.00 0.21 0.00 0.00 52.86 51.91 1xpj s ASN 57 Cb 0.00 -2.51 1.79 0.00 -0.55 0.00 0.00 41.25 39.98 1xpj s ASN 57 CO 0.00 -1.41 2.18 -0.37 -2.79 0.00 0.00 177.10 174.71 1xpj h VAL 58 N 6.40 0.30 -0.80 -5.21 -1.51 -1.93 -2.18 116.25 111.31 1xpj h VAL 58 Ca 0.11 -0.29 0.10 0.00 -1.23 0.00 0.00 66.70 65.39 1xpj h VAL 58 Cb 1.02 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 31.34 1xpj h VAL 58 CO 1.31 0.05 0.52 1.23 -1.23 0.00 0.00 177.57 179.45 1xpj h GLY 59 N 0.65 1.06 1.15 5.19 0.00 -1.99 0.13 103.07 109.26 1xpj h GLY 59 Ca -0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 47.33 46.71 1xpj h GLY 59 CO 0.01 0.18 -1.60 0.50 0.00 0.00 0.00 176.54 175.63 1xpj h LYS 60 N 0.74 0.23 -0.81 4.80 1.57 -1.82 -3.33 116.57 117.97 1xpj h LYS 60 Ca 0.37 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xpj h LYS 60 Cb 0.44 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1xpj h LYS 60 CO -0.14 1.08 0.50 0.82 -0.57 0.00 0.00 179.45 181.13 1xpj h ILE 61 N 0.06 1.22 -0.37 1.86 2.04 -0.97 -0.91 117.51 120.44 1xpj h ILE 61 Ca -0.27 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.24 1xpj h ILE 61 Cb 2.02 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1xpj h ILE 61 CO 0.15 0.23 0.31 0.78 0.00 0.00 0.00 178.15 179.61 1xpj h ASN 62 N 1.10 0.00 0.01 1.72 2.35 -0.89 0.05 115.58 119.92 1xpj h ASN 62 Ca 0.29 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.78 1xpj h ASN 62 Cb -0.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1xpj h ASN 62 CO -0.06 0.00 -1.43 -0.38 -1.65 0.00 0.00 177.43 173.91 1xpj n ILE 63 N -4.16 1.56 0.28 2.81 5.41 -0.57 -4.40 119.36 120.29 1xpj n ILE 63 Ca 0.06 -0.12 0.10 0.00 1.00 0.00 0.00 62.75 63.79 1xpj n ILE 63 Cb 0.48 -2.00 -0.14 0.00 -0.71 0.00 0.00 39.64 37.28 1xpj n ILE 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1xpj n HIS 64 N -4.31 0.00 -0.08 1.39 8.25 -0.45 -4.63 115.22 115.38 1xpj n HIS 64 Ca -0.34 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 56.99 1xpj n HIS 64 Cb 0.74 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.46 1xpj n HIS 64 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1xpj n THR 65 N -1.97 0.94 -0.02 1.59 -1.04 -0.04 -4.69 114.28 109.04 1xpj n THR 65 Ca -0.01 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.05 61.56 1xpj n THR 65 Cb 0.46 -1.26 -0.05 0.00 -1.82 0.00 0.00 70.33 67.65 1xpj n THR 65 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xpj h LEU 66 N -0.18 0.16 -0.67 -4.42 3.38 -1.64 -2.58 115.31 109.37 1xpj h LEU 66 Ca -0.39 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.58 1xpj h LEU 66 Cb 1.51 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 1xpj h LEU 66 CO -0.12 0.24 0.24 -0.65 0.09 0.00 0.00 178.44 178.25 1xpj h PRO 67 N 0.08 0.39 -0.36 1.13 0.11 -1.83 -1.47 132.00 130.05 1xpj h PRO 67 Ca 0.04 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 1xpj h PRO 67 Cb 0.12 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1xpj h PRO 67 CO -0.01 0.26 -0.18 0.82 -0.21 0.00 0.00 178.00 178.68 1xpj h ILE 68 N 0.40 1.26 -0.08 4.15 2.04 -1.81 -1.15 117.51 122.33 1xpj h ILE 68 Ca 0.35 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1xpj h ILE 68 Cb 0.50 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1xpj h ILE 68 CO -0.36 0.41 -0.03 0.40 0.00 0.00 0.00 178.15 178.56 1xpj h ILE 69 N 0.60 0.89 -0.18 -0.67 2.04 -0.93 -2.05 117.51 117.20 1xpj h ILE 69 Ca 0.09 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1xpj h ILE 69 Cb 0.64 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1xpj h ILE 69 CO 0.05 0.00 -0.49 0.71 0.00 0.00 0.00 178.15 178.41 1xpj h THR 70 N -0.02 1.32 -0.51 -0.27 1.35 -1.01 -1.17 112.91 112.60 1xpj h THR 70 Ca 0.04 -1.74 0.09 0.00 -0.55 0.00 0.00 66.41 64.26 1xpj h THR 70 Cb 0.09 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 68.36 1xpj h THR 70 CO -0.09 0.54 0.05 -0.08 -0.25 0.00 0.00 175.52 175.68 1xpj h GLU 71 N 0.34 0.17 -0.33 4.72 4.81 -1.25 0.15 114.58 123.19 1xpj h GLU 71 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xpj h GLU 71 Cb 1.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1xpj h GLU 71 CO 0.11 0.11 0.19 2.35 -0.73 0.00 0.00 179.01 181.03 1xpj h TRP 72 N 0.17 0.44 -0.62 0.92 7.01 -1.20 -1.64 115.95 121.02 1xpj h TRP 72 Ca 0.26 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 1xpj h TRP 72 Cb 0.38 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1xpj h TRP 72 CO -0.28 0.34 0.30 -0.07 -2.79 0.00 0.00 178.44 175.94 1xpj h LEU 73 N 0.41 0.81 -0.54 0.65 3.38 -0.47 -2.54 115.31 117.02 1xpj h LEU 73 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xpj h LEU 73 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xpj h LEU 73 CO -0.02 0.72 0.27 0.44 0.09 0.00 0.00 178.44 179.94 1xpj h ASP 74 N 0.85 0.69 0.61 -0.43 5.19 -0.61 -0.68 116.42 122.05 1xpj h ASP 74 Ca 0.21 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 1xpj h ASP 74 Cb 0.12 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1xpj h ASP 74 CO -0.03 0.61 -0.53 0.07 -3.12 0.00 0.00 179.24 176.24 1xpj h LYS 75 N 0.72 0.00 -0.55 3.56 2.10 -1.03 -2.47 116.57 118.90 1xpj h LYS 75 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1xpj h LYS 75 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1xpj h LYS 75 CO -0.03 0.53 0.00 0.72 -2.00 0.00 0.00 179.45 178.68 1xpj n HIS 76 N -3.81 0.77 -3.83 0.07 8.25 -0.98 -4.96 115.22 110.73 1xpj n HIS 76 Ca -0.01 -0.37 -0.27 0.00 -0.26 0.00 0.00 57.72 56.81 1xpj n HIS 76 Cb 0.56 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.66 1xpj n HIS 76 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1xpj n GLN 77 N 1.08 -2.89 -3.09 -0.41 6.02 -0.80 -4.95 117.38 112.34 1xpj n GLN 77 Ca 0.18 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 57.23 1xpj n GLN 77 Cb 0.48 -4.49 -0.05 0.00 1.02 0.00 0.00 30.24 27.20 1xpj n GLN 77 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpj s VAL 78 N -3.76 5.06 0.24 5.09 1.01 -0.33 -5.04 120.40 122.67 1xpj s VAL 78 Ca 0.15 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1xpj s VAL 78 Cb -0.05 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1xpj s VAL 78 CO 0.87 0.23 1.25 -2.16 0.00 0.00 0.00 175.10 175.28 1xpj s PRO 79 N 1.02 4.45 -0.16 2.72 0.04 -1.26 -4.77 135.00 137.04 1xpj s PRO 79 Ca 0.34 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1xpj s PRO 79 Cb -0.17 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.26 1xpj s PRO 79 CO 0.15 -0.11 0.66 1.52 0.04 0.00 0.00 177.00 179.26 1xpj s TYR 80 N -0.44 -0.68 -0.02 0.56 -0.85 -1.26 -4.88 117.35 109.78 1xpj s TYR 80 Ca 0.52 1.46 0.12 0.00 -0.52 0.00 0.00 57.07 58.65 1xpj s TYR 80 Cb -0.36 0.31 -0.19 0.00 0.38 0.00 0.00 41.96 42.10 1xpj s TYR 80 CO 0.42 -0.46 0.27 -0.25 -1.52 0.00 0.00 175.55 174.01 1xpj n ASP 81 N 1.92 2.17 -3.82 -0.18 8.00 0.48 -4.93 116.55 120.20 1xpj n ASP 81 Ca -0.16 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 1xpj n ASP 81 Cb 0.56 1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 43.10 1xpj n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xpj s GLU 82 N -2.85 0.27 -0.07 -1.24 2.02 -1.03 -5.03 118.70 110.78 1xpj s GLU 82 Ca -0.05 0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.11 1xpj s GLU 82 Cb 0.08 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.42 1xpj s GLU 82 CO 0.51 -0.05 -0.21 0.42 0.02 0.00 0.00 175.26 175.96 1xpj s ILE 83 N -0.22 2.42 -0.14 -1.63 1.01 -1.26 -1.13 121.20 120.24 1xpj s ILE 83 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1xpj s ILE 83 Cb -0.03 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1xpj s ILE 83 CO 0.01 0.57 -0.16 -0.76 0.00 0.00 0.00 174.94 174.60 1xpj s LEU 84 N -0.21 1.77 0.56 2.97 1.43 0.67 -4.98 118.68 120.89 1xpj s LEU 84 Ca -0.01 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1xpj s LEU 84 Cb -0.13 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.94 1xpj s LEU 84 CO 0.03 -0.02 0.57 0.68 0.23 0.00 0.00 176.35 177.84 1xpj s VAL 85 N 1.30 1.81 0.00 -1.59 -7.23 -1.26 -1.44 120.40 111.99 1xpj s VAL 85 Ca 0.01 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1xpj s VAL 85 Cb -0.13 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1xpj s VAL 85 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1xpj n GLY 86 N -1.98 0.55 3.73 2.32 0.00 -1.10 -4.85 105.19 103.86 1xpj n GLY 86 Ca 0.06 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1xpj n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xpj n LYS 87 N -2.81 2.04 -1.71 1.61 4.81 -1.04 -4.93 118.16 116.11 1xpj n LYS 87 Ca 0.00 0.73 -0.43 0.00 -0.87 0.00 0.00 58.31 57.74 1xpj n LYS 87 Cb 0.00 -2.50 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 1xpj n LYS 87 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xpj n PRO 88 N -0.15 2.55 -2.95 1.64 -0.04 -1.26 -4.37 135.00 130.43 1xpj n PRO 88 Ca 0.06 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 64.02 1xpj n PRO 88 Cb 0.41 -2.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.12 1xpj n PRO 88 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1xpj s TRP 89 N 0.52 3.33 -0.68 0.54 -0.00 -1.26 -4.84 118.94 116.54 1xpj s TRP 89 Ca 0.71 1.09 0.25 0.00 -0.00 0.00 0.00 56.10 58.14 1xpj s TRP 89 Cb -0.55 -2.99 0.89 0.00 -0.00 0.00 0.00 33.47 30.83 1xpj s TRP 89 CO 0.42 -0.34 1.76 0.00 -0.00 0.00 0.00 176.95 178.78 1xpj n GLY 91 N 0.85 -2.68 0.34 0.00 0.00 -1.26 -3.18 105.19 99.26 1xpj n GLY 91 Ca 0.04 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1xpj n GLY 91 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xpj h HIS 92 N 0.00 -0.75 -0.00 1.61 2.76 -2.06 -3.24 115.15 113.47 1xpj h HIS 92 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1xpj h HIS 92 Cb 0.00 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1xpj h HIS 92 CO 0.00 -0.42 -0.13 -0.25 -1.30 0.00 0.00 177.93 175.83 1xpj n ASP 93 N -5.38 0.56 -4.81 3.26 8.00 -1.26 -4.94 116.55 111.98 1xpj n ASP 93 Ca -0.12 -0.63 -0.30 0.00 0.71 0.00 0.00 54.79 54.45 1xpj n ASP 93 Cb 0.35 -0.04 0.10 0.00 -0.02 0.00 0.00 41.12 41.50 1xpj n ASP 93 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xpj s GLY 94 N -2.47 1.61 0.38 0.44 0.00 -1.19 -5.08 107.32 101.01 1xpj s GLY 94 Ca 0.28 -0.30 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 1xpj s GLY 94 CO 0.48 0.15 0.72 1.97 0.00 0.00 0.00 173.10 176.42 1xpj n PHE 95 N -3.45 -2.17 -4.92 1.90 1.16 -1.26 -4.82 117.46 103.90 1xpj n PHE 95 Ca 0.07 -1.96 -0.33 0.00 -1.87 0.00 0.00 57.45 53.36 1xpj n PHE 95 Cb 0.57 0.84 -0.14 0.00 -1.61 0.00 0.00 39.48 39.15 1xpj n PHE 95 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 1xpj s TYR 96 N -2.37 2.68 -0.15 2.97 5.04 -1.26 -5.01 117.35 119.26 1xpj s TYR 96 Ca 0.19 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1xpj s TYR 96 Cb -0.04 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.63 1xpj s TYR 96 CO 0.14 0.07 -0.14 0.42 -1.34 0.00 0.00 175.55 174.70 1xpj s ILE 97 N -0.49 1.54 -0.21 3.14 1.01 -1.26 -5.11 121.20 119.83 1xpj s ILE 97 Ca 0.06 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 1xpj s ILE 97 Cb -0.12 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 40.97 1xpj s ILE 97 CO 0.02 0.45 0.53 -0.62 0.00 0.00 0.00 174.94 175.32 1xpj s ASP 98 N 1.48 -0.66 0.21 3.58 -1.08 -1.26 -5.04 116.67 113.89 1xpj s ASP 98 Ca 0.05 1.13 0.21 0.00 -0.52 0.00 0.00 52.55 53.42 1xpj s ASP 98 Cb -0.13 1.03 0.91 0.00 -1.46 0.00 0.00 42.92 43.27 1xpj s ASP 98 CO -0.10 -0.21 1.65 -0.90 0.52 0.00 0.00 175.17 176.13 1xpj n ASP 99 N 3.99 0.53 -1.67 -0.34 5.75 -1.26 -2.67 116.55 120.88 1xpj n ASP 99 Ca -0.20 0.64 -0.17 0.00 -0.01 0.00 0.00 54.79 55.05 1xpj n ASP 99 Cb 0.57 -0.75 0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1xpj n ASP 99 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xpj n ARG 100 N -2.09 2.83 -4.47 0.11 5.12 -1.26 -4.82 116.66 112.07 1xpj n ARG 100 Ca 0.02 -3.73 -0.34 0.00 -1.93 0.00 0.00 57.85 51.88 1xpj n ARG 100 Cb 0.20 -2.09 -0.12 0.00 -1.16 0.00 0.00 32.46 29.29 1xpj n ARG 100 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xpj s ALA 101 N -3.51 2.98 0.07 7.54 0.00 -1.09 -5.11 121.76 122.64 1xpj s ALA 101 Ca 0.50 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.72 1xpj s ALA 101 Cb 0.42 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1xpj s ALA 101 CO 0.01 0.29 -0.25 0.14 0.00 0.00 0.00 175.76 175.94 1xpj s VAL 102 N 0.14 2.05 0.30 0.00 -7.23 -1.26 -5.01 120.40 109.39 1xpj s VAL 102 Ca -0.02 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1xpj s VAL 102 Cb -0.14 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1xpj s VAL 102 CO 0.03 0.24 0.74 -0.13 -0.31 0.00 0.00 175.10 175.67 1xpj s ARG 103 N -1.46 4.06 0.34 4.82 0.52 -1.26 -4.91 118.95 121.06 1xpj s ARG 103 Ca 0.11 0.72 0.12 0.00 -0.52 0.00 0.00 55.73 56.16 1xpj s ARG 103 Cb -0.10 -2.52 0.94 0.00 0.52 0.00 0.00 34.95 33.80 1xpj s ARG 103 CO 0.03 0.20 1.73 -1.35 0.02 0.00 0.00 175.30 175.94 1xpj h PRO 104 N 2.49 0.52 0.00 3.54 0.11 -1.93 0.14 132.00 136.87 1xpj h PRO 104 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1xpj h PRO 104 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xpj h PRO 104 CO 0.65 0.34 -0.42 0.66 -0.21 0.00 0.00 178.00 179.02 1xpj h SER 105 N 0.53 0.00 -0.21 -2.05 4.64 -1.96 -0.68 113.55 113.82 1xpj h SER 105 Ca 0.64 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.85 1xpj h SER 105 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1xpj h SER 105 CO -0.44 0.42 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.33 1xpj h GLU 106 N 0.00 0.56 -0.62 4.77 5.08 -1.13 -2.66 114.58 120.59 1xpj h GLU 106 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1xpj h GLU 106 Cb 0.76 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1xpj h GLU 106 CO 0.06 0.92 0.35 0.35 -1.00 0.00 0.00 179.01 179.69 1xpj h PHE 107 N 0.25 0.83 -0.23 4.33 3.57 -1.25 -1.16 116.94 123.28 1xpj h PHE 107 Ca 0.03 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1xpj h PHE 107 Cb 0.85 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1xpj h PHE 107 CO 0.08 0.59 -0.16 0.00 -2.23 0.00 0.00 178.31 176.59 1xpj h ALA 108 N 1.17 1.31 0.00 2.41 0.00 -1.13 -3.32 119.26 119.70 1xpj h ALA 108 Ca 0.22 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1xpj h ALA 108 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xpj h ALA 108 CO -0.04 0.46 -2.10 -1.13 0.00 0.00 0.00 179.25 176.45 1xpj n SER 109 N -4.20 0.24 -4.97 0.00 3.41 -1.00 -4.98 113.62 102.11 1xpj n SER 109 Ca -0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1xpj n SER 109 Cb 0.32 1.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.83 1xpj n SER 109 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xpj s MET 110 N -3.06 3.21 0.41 4.33 -1.94 -0.46 -5.09 119.30 116.71 1xpj s MET 110 Ca -0.08 -0.93 0.07 0.00 -1.71 0.00 0.00 55.69 53.03 1xpj s MET 110 Cb 0.10 -2.82 0.07 0.00 2.01 0.00 0.00 34.83 34.19 1xpj s MET 110 CO 0.84 0.21 0.56 0.27 -0.01 0.00 0.00 175.02 176.89 1xpj n ASN 111 N -1.52 1.55 0.02 3.03 0.23 -1.26 -4.88 115.26 112.42 1xpj n ASN 111 Ca -0.04 -2.11 -0.12 0.00 -0.53 0.00 0.00 54.58 51.78 1xpj n ASN 111 Cb 0.58 -0.29 -0.07 0.00 -2.08 0.00 0.00 39.78 37.92 1xpj n ASN 111 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1xpj h LEU 112 N 0.00 0.05 -0.46 -4.53 5.85 -1.99 -1.76 115.31 112.48 1xpj h LEU 112 Ca -0.20 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.56 1xpj h LEU 112 Cb 0.89 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.82 1xpj h LEU 112 CO 0.28 0.09 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.29 1xpj h GLU 113 N 0.01 0.01 -0.57 1.25 4.81 -1.99 -0.42 114.58 117.69 1xpj h GLU 113 Ca 0.02 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1xpj h GLU 113 Cb 0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1xpj h GLU 113 CO -0.00 0.01 0.36 0.93 -0.73 0.00 0.00 179.01 179.57 1xpj h GLU 114 N 0.01 0.70 -0.45 1.92 5.08 -1.90 0.61 114.58 120.56 1xpj h GLU 114 Ca 0.22 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1xpj h GLU 114 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xpj h GLU 114 CO -0.46 0.47 0.11 0.82 -1.00 0.00 0.00 179.01 178.94 1xpj h ILE 115 N 0.72 1.23 -0.81 3.13 2.04 -0.83 -0.69 117.51 122.31 1xpj h ILE 115 Ca 0.22 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1xpj h ILE 115 Cb -0.03 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1xpj h ILE 115 CO -0.08 0.29 0.52 0.45 0.00 0.00 0.00 178.15 179.34 1xpj h HIS 116 N 0.59 0.98 -0.64 1.37 3.86 -0.69 -2.16 115.15 118.47 1xpj h HIS 116 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1xpj h HIS 116 Cb 0.32 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1xpj h HIS 116 CO 0.02 0.58 0.30 1.96 0.86 0.00 0.00 177.93 181.65 1xpj h GLN 117 N 1.03 0.91 -0.59 2.45 4.20 -0.56 0.13 115.11 122.68 1xpj h GLN 117 Ca 0.32 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.93 1xpj h GLN 117 Cb -0.02 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1xpj h GLN 117 CO -0.10 0.71 0.39 -0.07 -0.67 0.00 0.00 178.83 179.09 1xpj h LEU 118 N 0.91 0.62 0.12 1.46 3.38 -0.50 -2.27 115.31 119.04 1xpj h LEU 118 Ca 0.22 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.85 1xpj h LEU 118 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xpj h LEU 118 CO -0.03 0.43 -1.71 -0.26 0.09 0.00 0.00 178.44 176.96 1xpj h PHE 119 N 0.73 0.48 -0.33 1.13 0.04 -0.95 -3.35 116.94 114.69 1xpj h PHE 119 Ca 0.23 -0.35 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1xpj h PHE 119 Cb 0.03 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1xpj h PHE 119 CO -0.00 1.51 0.12 1.49 -0.60 0.00 0.00 178.31 180.83 1xpj h GLU 120 N 0.07 0.47 -0.06 1.51 4.57 -0.66 -0.59 114.58 119.88 1xpj h GLU 120 Ca -0.31 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1xpj h GLU 120 Cb 2.04 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1xpj h GLU 120 CO 0.14 0.40 0.05 0.87 -1.18 0.00 0.00 179.01 179.29 1xpj h LYS 121 N 0.47 0.00 0.00 1.92 1.57 -1.54 -2.88 116.57 116.11 1xpj h LYS 121 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xpj h LYS 121 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1xpj h LYS 121 CO -0.01 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.36 1xpj h GLU 122 N 0.00 0.00 0.00 3.15 4.57 -1.24 -3.52 114.58 117.54 1xpj h GLU 122 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1xpj h GLU 122 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1xpj h GLU 122 CO -0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46