#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 0.05 -0.01 2.12 -2.85 -1.26 -5.11 119.74 112.68 1xpj s LYS 2 Ca 0.00 0.21 0.04 0.00 -1.00 0.00 0.00 55.97 55.22 1xpj s LYS 2 Cb 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 1xpj s LYS 2 CO 0.00 -0.10 -0.13 0.15 0.10 0.00 0.00 175.35 175.37 1xpj s LYS 3 N 0.66 1.08 -0.25 1.78 1.02 -1.26 -1.27 119.74 121.48 1xpj s LYS 3 Ca -0.05 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 1xpj s LYS 3 Cb -0.07 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1xpj s LYS 3 CO -0.03 0.28 0.22 -0.51 -0.92 0.00 0.00 175.35 174.40 1xpj s LEU 4 N -0.38 4.08 -0.42 3.17 1.43 0.15 -4.94 118.68 121.77 1xpj s LEU 4 Ca 0.05 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 1xpj s LEU 4 Cb -0.05 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1xpj s LEU 4 CO -0.00 -0.01 0.36 -0.63 0.23 0.00 0.00 176.35 176.29 1xpj s ILE 5 N 1.43 5.19 -0.15 -0.59 -1.09 -1.26 -0.59 121.20 124.14 1xpj s ILE 5 Ca 0.09 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1xpj s ILE 5 Cb -0.15 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1xpj s ILE 5 CO 0.08 -0.37 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.60 1xpj s VAL 6 N 1.86 2.93 0.71 2.92 1.01 0.74 -4.95 120.40 125.62 1xpj s VAL 6 Ca 0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1xpj s VAL 6 Cb -0.18 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1xpj s VAL 6 CO 0.11 0.51 1.07 -0.62 0.00 0.00 0.00 175.10 176.17 1xpj s ASP 7 N 0.63 5.24 0.00 3.32 2.15 -1.26 -0.45 116.67 126.31 1xpj s ASP 7 Ca -0.07 1.65 0.00 0.00 0.43 0.00 0.00 52.55 54.56 1xpj s ASP 7 Cb -0.16 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1xpj s ASP 7 CO 0.03 -1.54 0.00 -0.11 -0.17 0.00 0.00 175.17 173.37 1xpj n LEU 8 N -3.20 0.02 -4.74 -1.34 7.94 -1.25 -3.97 117.00 110.47 1xpj n LEU 8 Ca 0.08 0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.60 1xpj n LEU 8 Cb 0.53 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 1xpj n LEU 8 CO 0.55 -0.45 1.01 -1.81 -1.11 0.00 0.00 177.39 175.58 1xpj s ASP 9 N -3.64 6.84 0.00 1.96 1.01 -1.26 -0.35 116.67 121.23 1xpj s ASP 9 Ca 0.00 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.74 1xpj s ASP 9 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1xpj s ASP 9 CO 0.00 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.44 1xpj n GLY 10 N 2.17 2.31 0.60 0.21 0.00 -1.03 -4.73 105.19 104.72 1xpj n GLY 10 Ca 0.06 0.00 -0.07 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 -1.99 1.18 0.11 2.61 -1.04 -1.06 -4.73 114.28 109.37 1xpj n THR 11 Ca 0.00 0.15 0.11 0.00 -2.04 0.00 0.00 64.05 62.28 1xpj n THR 11 Cb 0.00 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 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 -3.85 0.68 -4.59 -4.42 4.77 0.53 -4.76 117.00 105.36 1xpj n LEU 12 Ca -0.12 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1xpj n LEU 12 Cb 0.37 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1xpj n LEU 12 CO 0.07 -0.14 -0.38 0.42 -1.33 0.00 0.00 177.39 176.03 1xpj s THR 13 N -3.39 3.17 -1.59 -5.08 -4.23 -1.04 -0.92 115.64 102.57 1xpj s THR 13 Ca -0.02 -1.96 0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1xpj s THR 13 Cb 0.11 -2.66 0.59 0.00 1.34 0.00 0.00 72.50 71.87 1xpj s THR 13 CO 0.81 -0.32 2.05 0.00 -0.54 0.00 0.00 174.62 176.63 1xpj n GLN 14 N -0.61 0.60 -4.04 3.99 6.02 0.06 -2.48 117.38 120.93 1xpj n GLN 14 Ca -0.07 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 1xpj n GLN 14 Cb 0.58 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.16 -1.37 0.54 -1.58 0.00 -1.26 -4.84 120.51 110.84 1xpj n ALA 15 Ca 0.16 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1xpj n ALA 15 Cb 0.22 -3.70 0.15 0.00 0.00 0.00 0.00 19.45 16.12 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 -1.81 0.00 -4.97 0.00 -1.07 -1.91 -3.47 115.58 102.34 1xpj h ASN 16 Ca -0.59 -0.22 -0.11 0.00 0.07 0.00 0.00 56.30 55.45 1xpj h ASN 16 Cb 1.38 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.43 1xpj h ASN 16 CO 0.71 0.11 -0.22 0.28 0.07 0.00 0.00 177.43 178.38 1xpj s THR 17 N -3.18 0.05 -1.14 6.14 -1.32 -1.26 -5.03 115.64 109.90 1xpj s THR 17 Ca 0.06 -0.41 0.29 0.00 -1.21 0.00 0.00 61.69 60.42 1xpj s THR 17 Cb 0.13 -0.66 0.33 0.00 -1.51 0.00 0.00 72.50 70.79 1xpj s THR 17 CO 0.73 -0.23 1.96 -1.54 -2.21 0.00 0.00 174.62 173.34 1xpj n SER 18 N 1.26 0.01 -4.57 8.08 3.41 -1.26 -4.49 113.62 116.07 1xpj n SER 18 Ca -0.21 0.27 -0.37 0.00 -0.26 0.00 0.00 58.87 58.30 1xpj n SER 18 Cb 0.56 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.86 6.15 0.51 4.04 2.15 -1.26 -4.87 116.67 120.53 1xpj s ASP 19 Ca 0.19 -1.50 0.21 0.00 0.43 0.00 0.00 52.55 51.88 1xpj s ASP 19 Cb 0.19 -2.57 1.29 0.00 -0.30 0.00 0.00 42.92 41.53 1xpj s ASP 19 CO 0.51 -1.84 2.03 1.88 -0.17 0.00 0.00 175.17 177.58 1xpj h TYR 20 N 9.68 0.09 -0.31 -5.34 0.05 -1.98 -1.50 116.97 117.66 1xpj h TYR 20 Ca 0.23 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.97 1xpj h TYR 20 Cb 0.98 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1xpj h TYR 20 CO 1.29 0.04 0.02 -0.09 -1.05 0.00 0.00 178.16 178.38 1xpj h ARG 21 N 0.09 0.46 -0.16 4.88 2.43 -1.89 -3.19 114.38 116.99 1xpj h ARG 21 Ca 0.20 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1xpj h ARG 21 Cb 0.66 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xpj h ARG 21 CO -0.02 0.48 0.00 0.09 -1.51 0.00 0.00 179.97 179.01 1xpj n ASN 22 N -4.32 2.95 -4.76 -3.80 3.02 -0.61 -4.93 115.26 102.81 1xpj n ASN 22 Ca 0.01 -2.67 -0.41 0.00 -0.03 0.00 0.00 54.58 51.48 1xpj n ASN 22 Cb 0.21 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 -2.18 2.86 0.32 2.41 0.11 -0.95 -4.98 120.40 117.99 1xpj s VAL 23 Ca 0.29 0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 59.89 1xpj s VAL 23 Cb 0.22 -3.53 -0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1xpj s VAL 23 CO 0.07 0.19 1.22 -0.76 -3.33 0.00 0.00 175.10 172.49 1xpj s LEU 24 N -1.48 4.44 0.42 2.54 1.43 -1.26 -4.90 118.68 119.87 1xpj s LEU 24 Ca 0.50 2.51 -0.22 0.00 -1.03 0.00 0.00 54.13 55.89 1xpj s LEU 24 Cb -0.39 -3.68 -0.10 0.00 0.03 0.00 0.00 46.19 42.05 1xpj s LEU 24 CO 0.49 -0.42 0.97 -2.16 0.23 0.00 0.00 176.35 175.46 1xpj s PRO 25 N -1.73 4.20 -0.78 1.29 0.04 -1.26 -0.76 135.00 136.00 1xpj s PRO 25 Ca 0.48 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1xpj s PRO 25 Cb -0.36 -2.27 0.12 0.00 0.04 0.00 0.00 34.50 32.03 1xpj s PRO 25 CO 0.47 -0.06 0.97 1.03 0.04 0.00 0.00 177.00 179.45 1xpj s ARG 26 N -3.00 3.36 0.25 4.56 0.52 -0.10 -4.64 118.95 119.91 1xpj s ARG 26 Ca 0.61 -1.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1xpj s ARG 26 Cb -0.12 -4.57 0.30 0.00 0.52 0.00 0.00 34.95 31.07 1xpj s ARG 26 CO 0.16 -1.69 1.80 -0.07 0.02 0.00 0.00 175.30 175.52 1xpj h LEU 27 N 10.31 0.91 -0.48 2.53 3.38 -1.95 -1.91 115.31 128.10 1xpj h LEU 27 Ca -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1xpj h LEU 27 Cb 1.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1xpj h LEU 27 CO 1.09 0.86 0.13 -2.24 0.09 0.00 0.00 178.44 178.37 1xpj h ASP 28 N 0.94 0.72 -0.20 -0.43 2.03 -1.99 -1.25 116.42 116.25 1xpj h ASP 28 Ca 0.21 -0.22 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 1xpj h ASP 28 Cb 0.28 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1xpj h ASP 28 CO -0.01 0.76 0.04 0.58 -1.03 0.00 0.00 179.24 179.58 1xpj h VAL 29 N 0.66 1.21 -0.63 4.15 2.07 -1.80 -1.92 116.25 119.98 1xpj h VAL 29 Ca 0.15 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1xpj h VAL 29 Cb 0.30 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1xpj h VAL 29 CO -0.00 0.21 0.39 0.40 0.02 0.00 0.00 177.57 178.59 1xpj h ILE 30 N 0.13 1.08 -0.65 4.57 2.04 -1.30 -1.65 117.51 121.73 1xpj h ILE 30 Ca 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1xpj h ILE 30 Cb 0.28 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1xpj h ILE 30 CO 0.00 0.14 0.28 -0.08 0.00 0.00 0.00 178.15 178.49 1xpj h GLU 31 N 0.78 0.93 -0.67 2.37 4.57 -1.08 -1.80 114.58 119.68 1xpj h GLU 31 Ca 0.25 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1xpj h GLU 31 Cb 0.01 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1xpj h GLU 31 CO -0.10 0.75 0.13 0.37 -1.18 0.00 0.00 179.01 178.98 1xpj h GLN 32 N 0.92 1.08 -0.95 1.92 5.75 -0.88 -2.51 115.11 120.44 1xpj h GLN 32 Ca 0.22 -0.27 0.12 0.00 -0.15 0.00 0.00 58.65 58.57 1xpj h GLN 32 Cb 0.15 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 1xpj h GLN 32 CO -0.02 0.98 0.57 -0.07 -2.65 0.00 0.00 178.83 177.63 1xpj h LEU 33 N 1.02 0.82 -0.56 -2.39 3.38 -0.49 -1.55 115.31 115.55 1xpj h LEU 33 Ca 0.21 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xpj h LEU 33 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1xpj h LEU 33 CO 0.01 0.42 0.33 0.03 0.09 0.00 0.00 178.44 179.32 1xpj h ARG 34 N 0.89 0.76 -0.56 1.13 3.08 -0.99 0.26 114.38 118.96 1xpj h ARG 34 Ca 0.48 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.41 1xpj h ARG 34 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1xpj h ARG 34 CO -0.28 0.56 0.16 0.93 -1.07 0.00 0.00 179.97 180.27 1xpj h GLU 35 N 0.75 0.88 -0.61 0.04 4.39 -1.11 -1.43 114.58 117.49 1xpj h GLU 35 Ca 0.20 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1xpj h GLU 35 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1xpj h GLU 35 CO -0.04 0.81 0.08 1.88 -1.16 0.00 0.00 179.01 180.58 1xpj h TYR 36 N 0.79 1.07 -0.86 4.33 -1.99 -1.10 -1.87 116.97 117.34 1xpj h TYR 36 Ca 0.18 -0.15 0.08 0.00 2.00 0.00 0.00 58.73 60.84 1xpj h TYR 36 Cb 0.31 -0.29 -0.06 0.00 2.00 0.00 0.00 36.73 38.68 1xpj h TYR 36 CO 0.02 0.91 0.56 1.25 -0.00 0.00 0.00 178.16 180.90 1xpj h HIS 37 N 0.94 0.94 -0.00 4.88 2.76 -0.65 -1.95 115.15 122.07 1xpj h HIS 37 Ca 0.19 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1xpj h HIS 37 Cb 0.44 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1xpj h HIS 37 CO 0.03 0.47 -0.37 1.96 -1.30 0.00 0.00 177.93 178.72 1xpj h GLN 38 N 0.90 0.01 -0.02 5.26 4.20 -0.45 -2.88 115.11 122.14 1xpj h GLN 38 Ca 0.38 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1xpj h GLN 38 Cb 0.31 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1xpj h GLN 38 CO -0.15 0.38 0.00 1.28 -0.67 0.00 0.00 178.83 179.67 1xpj n LEU 39 N -4.10 0.38 0.00 1.46 4.77 -0.78 -4.90 117.00 113.83 1xpj n LEU 39 Ca -0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1xpj n LEU 39 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xpj n LEU 39 CO 0.39 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1xpj n GLY 40 N 0.99 0.83 3.67 -0.72 0.00 -1.09 -5.06 105.19 103.81 1xpj n GLY 40 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.07 2.90 0.48 1.61 0.08 -0.90 -4.67 117.98 115.41 1xpj s PHE 41 Ca 0.00 1.03 -0.23 0.00 0.12 0.00 0.00 56.93 57.85 1xpj s PHE 41 Cb 0.00 -3.50 -0.07 0.00 -0.57 0.00 0.00 43.02 38.88 1xpj s PHE 41 CO 0.00 -1.68 1.25 -1.21 -0.10 0.00 0.00 175.22 173.48 1xpj s GLU 42 N 3.25 3.59 -0.21 0.44 2.02 -0.40 -4.22 118.70 123.16 1xpj s GLU 42 Ca 0.55 1.99 -0.01 0.00 0.02 0.00 0.00 54.97 57.53 1xpj s GLU 42 Cb -0.23 -2.42 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1xpj s GLU 42 CO 0.16 -0.76 -0.12 0.42 0.02 0.00 0.00 175.26 174.98 1xpj s ILE 43 N -1.41 2.60 -0.29 -1.63 -1.09 -1.26 -0.68 121.20 117.44 1xpj s ILE 43 Ca 0.65 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1xpj s ILE 43 Cb -0.34 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1xpj s ILE 43 CO 0.41 0.42 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.85 1xpj s VAL 44 N 1.34 3.03 -0.17 2.92 1.01 0.24 -0.54 120.40 128.23 1xpj s VAL 44 Ca 0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1xpj s VAL 44 Cb -0.14 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1xpj s VAL 44 CO -0.08 -0.04 1.05 -0.63 0.00 0.00 0.00 175.10 175.40 1xpj s ILE 45 N 1.28 4.68 -0.09 2.22 -1.09 -0.13 -0.19 121.20 127.89 1xpj s ILE 45 Ca -0.04 1.99 0.03 0.00 -2.23 0.00 0.00 60.65 60.40 1xpj s ILE 45 Cb -0.19 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1xpj s ILE 45 CO -0.02 -0.09 -0.18 -0.55 -1.23 0.00 0.00 174.94 172.87 1xpj s SER 46 N 1.22 2.47 -0.08 3.58 0.15 0.41 -0.09 113.70 121.35 1xpj s SER 46 Ca 0.47 -0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.55 1xpj s SER 46 Cb -0.17 -1.13 0.03 0.00 -1.71 0.00 0.00 66.02 63.03 1xpj s SER 46 CO 0.12 0.09 0.33 0.28 1.20 0.00 0.00 173.24 175.26 1xpj s THR 47 N 0.53 0.02 -2.04 6.45 -1.32 -0.64 -3.78 115.64 114.86 1xpj s THR 47 Ca -0.16 -0.19 0.14 0.00 -1.21 0.00 0.00 61.69 60.27 1xpj s THR 47 Cb -0.17 -0.53 0.37 0.00 -1.51 0.00 0.00 72.50 70.66 1xpj s THR 47 CO 0.06 -0.10 1.33 0.00 -2.21 0.00 0.00 174.62 173.69 1xpj n ALA 48 N 2.26 2.44 -1.62 11.08 0.00 -1.26 -2.83 120.51 130.59 1xpj n ALA 48 Ca -0.16 -0.69 -0.50 0.00 0.00 0.00 0.00 53.44 52.08 1xpj n ALA 48 Cb 0.57 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 0.66 1.48 -0.99 0.00 0.63 -1.26 -1.13 116.66 116.04 1xpj n ARG 49 Ca 0.14 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 1xpj n ARG 49 Cb 0.34 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.04 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 2.84 -4.84 0.04 6.15 3.02 -1.26 -4.82 115.26 116.38 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 -2.46 0.24 0.00 -0.61 0.00 0.00 39.78 37.16 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 0.36 0.42 0.37 3.52 2.86 -1.49 -2.05 114.93 118.92 1xpj h MET 51 Ca 0.00 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1xpj h MET 51 Cb 0.64 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1xpj h MET 51 CO 0.00 0.63 -0.18 -0.09 1.06 0.00 0.00 176.91 178.34 1xpj h ARG 52 N 0.38 -0.47 -0.55 1.72 2.43 -1.90 -0.74 114.38 115.25 1xpj h ARG 52 Ca 0.06 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 1xpj h ARG 52 Cb 0.62 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 1xpj h ARG 52 CO 0.04 -0.16 -0.12 1.15 -1.51 0.00 0.00 179.97 179.38 1xpj h THR 53 N -0.90 0.46 -0.39 0.20 2.02 -1.95 -2.29 112.91 110.06 1xpj h THR 53 Ca -0.05 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xpj h THR 53 Cb 0.54 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1xpj h THR 53 CO 0.08 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 1xpj n TYR 54 N -5.37 0.51 -3.67 3.16 4.01 -0.77 -4.94 117.16 110.09 1xpj n TYR 54 Ca 0.06 -0.25 -0.22 0.00 -0.16 0.00 0.00 57.90 57.33 1xpj n TYR 54 Cb 0.29 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.01 -5.46 -1.00 -0.72 1.02 -0.73 -2.23 120.64 112.54 1xpj n GLU 55 Ca 0.18 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1xpj n GLU 55 Cb 0.47 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 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 -1.52 0.92 3.55 0.62 0.00 -0.36 -4.98 105.19 103.42 1xpj n GLY 56 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.84 6.34 0.45 1.61 3.84 -0.95 -4.87 114.94 118.52 1xpj s ASN 57 Ca 0.00 -0.98 0.11 0.00 0.21 0.00 0.00 52.86 52.19 1xpj s ASN 57 Cb 0.00 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 39.15 1xpj s ASN 57 CO 0.00 -1.65 2.08 0.58 -2.79 0.00 0.00 177.10 175.32 1xpj h VAL 58 N 6.40 1.06 -0.77 -5.21 2.07 -1.93 -2.38 116.25 115.49 1xpj h VAL 58 Ca -0.04 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.50 1xpj h VAL 58 Cb 1.03 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1xpj h VAL 58 CO 1.35 0.07 0.51 1.23 0.02 0.00 0.00 177.57 180.74 1xpj h GLY 59 N 0.36 0.77 0.98 2.17 0.00 -1.99 -0.24 103.07 105.12 1xpj h GLY 59 Ca 0.11 -0.20 -0.30 0.00 0.00 0.00 0.00 47.33 46.94 1xpj h GLY 59 CO -0.02 0.07 -1.39 0.50 0.00 0.00 0.00 176.54 175.69 1xpj h LYS 60 N 0.46 0.43 -0.82 4.80 1.79 -1.84 -3.32 116.57 118.05 1xpj h LYS 60 Ca 0.38 -0.73 0.04 0.00 -2.18 0.00 0.00 60.65 58.16 1xpj h LYS 60 Cb 0.82 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 1xpj h LYS 60 CO -0.13 1.35 0.52 0.82 -1.08 0.00 0.00 179.45 180.93 1xpj h ILE 61 N -0.02 1.09 -0.33 1.86 2.04 -1.09 -0.09 117.51 120.97 1xpj h ILE 61 Ca -0.26 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.36 1xpj h ILE 61 Cb 2.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1xpj h ILE 61 CO 0.21 0.18 0.24 0.78 0.00 0.00 0.00 178.15 179.55 1xpj h ASN 62 N 0.98 0.02 0.00 1.72 2.35 -1.20 -0.35 115.58 119.11 1xpj h ASN 62 Ca 0.34 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.98 1xpj h ASN 62 Cb 0.08 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1xpj h ASN 62 CO -0.14 0.01 -0.76 0.40 -1.65 0.00 0.00 177.43 175.30 1xpj h ILE 63 N 0.03 0.74 0.00 2.81 2.04 -1.24 -3.39 117.51 118.50 1xpj h ILE 63 Ca 0.16 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1xpj h ILE 63 Cb 0.60 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1xpj h ILE 63 CO -0.01 0.25 -1.29 1.41 0.00 0.00 0.00 178.15 178.52 1xpj n HIS 64 N -4.54 0.12 -0.07 1.37 8.25 -0.20 -4.62 115.22 115.53 1xpj n HIS 64 Ca -0.19 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1xpj n HIS 64 Cb 0.48 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.92 0.84 -0.04 1.59 -1.04 -0.18 -4.68 114.28 108.84 1xpj n THR 65 Ca 0.01 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 1xpj n THR 65 Cb 0.44 -1.31 -0.04 0.00 -1.82 0.00 0.00 70.33 67.60 1xpj n THR 65 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xpj h LEU 66 N -0.24 0.23 -0.94 -4.42 7.12 -1.64 -2.69 115.31 112.74 1xpj h LEU 66 Ca -0.35 -0.10 0.14 0.00 0.13 0.00 0.00 57.88 57.70 1xpj h LEU 66 Cb 1.43 -0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 41.41 1xpj h LEU 66 CO -0.13 0.27 0.55 -0.65 -0.13 0.00 0.00 178.44 178.35 1xpj h PRO 67 N 0.18 0.77 -0.15 5.25 0.11 -1.82 -1.23 132.00 135.12 1xpj h PRO 67 Ca 0.06 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 1xpj h PRO 67 Cb 0.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1xpj h PRO 67 CO -0.01 0.51 -0.61 0.82 -0.21 0.00 0.00 178.00 178.50 1xpj h ILE 68 N 0.80 1.34 -0.24 4.15 2.04 -1.78 -1.35 117.51 122.46 1xpj h ILE 68 Ca 0.50 -1.91 0.01 0.00 1.00 0.00 0.00 64.86 64.46 1xpj h ILE 68 Cb 0.64 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1xpj h ILE 68 CO -0.33 0.59 0.14 0.40 0.00 0.00 0.00 178.15 178.96 1xpj h ILE 69 N 0.38 1.04 -0.05 -0.67 2.04 -1.06 -2.43 117.51 116.76 1xpj h ILE 69 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1xpj h ILE 69 Cb 1.17 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1xpj h ILE 69 CO 0.11 0.05 0.01 0.74 0.00 0.00 0.00 178.15 179.06 1xpj h THR 70 N 0.30 1.21 -0.90 -0.27 2.02 -1.14 -0.51 112.91 113.63 1xpj h THR 70 Ca 0.09 -0.64 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1xpj h THR 70 Cb -0.02 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1xpj h THR 70 CO -0.04 0.18 0.57 -0.08 0.37 0.00 0.00 175.52 176.52 1xpj h GLU 71 N -0.17 1.04 -0.30 6.66 4.81 -1.26 -0.84 114.58 124.52 1xpj h GLU 71 Ca 0.01 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1xpj h GLU 71 Cb 0.27 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1xpj h GLU 71 CO 0.00 0.69 -0.25 2.35 -0.73 0.00 0.00 179.01 181.06 1xpj h TRP 72 N 1.07 0.83 -0.41 0.92 7.01 -1.26 -0.54 115.95 123.57 1xpj h TRP 72 Ca 0.38 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1xpj h TRP 72 Cb 0.10 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1xpj h TRP 72 CO -0.02 0.98 0.22 -0.07 -2.79 0.00 0.00 178.44 176.76 1xpj h LEU 73 N 0.45 0.52 -0.58 0.65 3.38 -0.67 -2.22 115.31 116.84 1xpj h LEU 73 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xpj h LEU 73 Cb 0.82 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1xpj h LEU 73 CO 0.07 0.47 0.34 0.44 0.09 0.00 0.00 178.44 179.84 1xpj h ASP 74 N 0.53 0.71 -0.76 -0.43 5.19 -1.14 -1.01 116.42 119.50 1xpj h ASP 74 Ca 0.14 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1xpj h ASP 74 Cb 0.07 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 1xpj h ASP 74 CO -0.02 0.58 0.33 0.50 -3.12 0.00 0.00 179.24 177.50 1xpj h LYS 75 N 0.78 1.14 -0.62 3.56 3.64 -0.77 -2.42 116.57 121.88 1xpj h LYS 75 Ca 0.21 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xpj h LYS 75 Cb 0.01 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1xpj h LYS 75 CO -0.04 0.91 0.00 0.72 -2.27 0.00 0.00 179.45 178.77 1xpj n HIS 76 N -4.29 1.13 -3.70 1.91 8.25 -0.87 -4.94 115.22 112.72 1xpj n HIS 76 Ca 0.07 -0.45 -0.23 0.00 -0.26 0.00 0.00 57.72 56.86 1xpj n HIS 76 Cb 0.17 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 0.79 -4.08 -3.32 -0.41 6.02 -0.91 -4.96 117.38 110.51 1xpj n GLN 77 Ca 0.19 0.59 -0.39 0.00 -0.01 0.00 0.00 57.00 57.38 1xpj n GLN 77 Cb 0.70 -5.00 -0.07 0.00 1.02 0.00 0.00 30.24 26.89 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 -3.66 5.15 0.19 5.09 1.01 -0.42 -5.05 120.40 122.72 1xpj s VAL 78 Ca 0.09 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1xpj s VAL 78 Cb -0.03 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1xpj s VAL 78 CO 0.82 0.20 1.34 -2.16 0.00 0.00 0.00 175.10 175.30 1xpj s PRO 79 N 1.59 4.36 -0.05 2.72 0.04 -1.26 -4.75 135.00 137.65 1xpj s PRO 79 Ca 0.21 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 1xpj s PRO 79 Cb -0.15 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1xpj s PRO 79 CO 0.09 -0.30 0.43 1.52 0.04 0.00 0.00 177.00 178.78 1xpj s TYR 80 N 0.26 -0.36 -0.14 0.56 -0.85 -1.26 -4.89 117.35 110.67 1xpj s TYR 80 Ca 0.58 0.66 0.10 0.00 -0.52 0.00 0.00 57.07 57.89 1xpj s TYR 80 Cb -0.37 0.19 -0.14 0.00 0.38 0.00 0.00 41.96 42.03 1xpj s TYR 80 CO 0.37 -0.42 0.27 -0.25 -1.52 0.00 0.00 175.55 174.00 1xpj n ASP 81 N 1.44 2.07 -3.74 -0.18 8.00 0.30 -4.93 116.55 119.51 1xpj n ASP 81 Ca -0.19 -0.22 -0.13 0.00 0.71 0.00 0.00 54.79 54.96 1xpj n ASP 81 Cb 0.56 1.31 -0.11 0.00 -0.02 0.00 0.00 41.12 42.87 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 -2.44 0.42 -0.11 -1.24 2.02 -1.03 -5.02 118.70 111.30 1xpj s GLU 82 Ca -0.01 0.53 0.02 0.00 0.02 0.00 0.00 54.97 55.52 1xpj s GLU 82 Cb 0.06 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1xpj s GLU 82 CO 0.40 -0.06 -0.17 0.42 0.02 0.00 0.00 175.26 175.87 1xpj s ILE 83 N 0.30 2.73 -0.13 -1.63 1.01 -1.26 -0.96 121.20 121.26 1xpj s ILE 83 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1xpj s ILE 83 Cb -0.03 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 1xpj s ILE 83 CO -0.01 0.55 -0.18 -0.76 0.00 0.00 0.00 174.94 174.54 1xpj s LEU 84 N 0.15 2.34 0.00 2.97 1.43 0.87 -4.98 118.68 121.46 1xpj s LEU 84 Ca -0.09 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1xpj s LEU 84 Cb -0.15 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1xpj s LEU 84 CO 0.06 0.11 0.38 1.33 0.23 0.00 0.00 176.35 178.46 1xpj n VAL 85 N 3.85 0.00 -1.02 -1.59 0.24 -1.26 -1.61 118.33 116.93 1xpj n VAL 85 Ca -0.19 -2.18 -0.01 0.00 -2.04 0.00 0.00 64.34 59.92 1xpj n VAL 85 Cb 0.52 0.01 -0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1xpj n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xpj n GLY 86 N -1.54 0.48 3.77 7.63 0.00 -1.16 -4.86 105.19 109.51 1xpj n GLY 86 Ca -0.03 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1xpj n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xpj s LYS 87 N -1.12 4.05 0.22 1.61 2.20 -1.13 -4.93 119.74 120.65 1xpj s LYS 87 Ca 0.00 2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 57.68 1xpj s LYS 87 Cb 0.00 -2.89 -0.12 0.00 -1.51 0.00 0.00 37.83 33.31 1xpj s LYS 87 CO 0.00 -0.51 1.68 -1.25 -0.36 0.00 0.00 175.35 174.91 1xpj s PRO 88 N -2.13 4.13 -0.30 4.03 0.04 -1.26 -4.23 135.00 135.29 1xpj s PRO 88 Ca 0.54 2.58 -0.23 0.00 0.04 0.00 0.00 61.00 63.93 1xpj s PRO 88 Cb -0.43 -3.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1xpj s PRO 88 CO 0.57 -0.71 0.74 -0.46 0.04 0.00 0.00 177.00 177.18 1xpj s TRP 89 N 0.90 3.22 -0.26 0.56 -0.00 -1.26 -4.85 118.94 117.25 1xpj s TRP 89 Ca 0.72 0.79 0.28 0.00 -0.00 0.00 0.00 56.10 57.88 1xpj s TRP 89 Cb -0.49 -3.12 1.11 0.00 -0.00 0.00 0.00 33.47 30.97 1xpj s TRP 89 CO 0.36 -0.51 1.82 0.00 -0.00 0.00 0.00 176.95 178.62 1xpj n GLY 91 N 0.12 -2.36 0.32 0.00 0.00 -1.26 -3.18 105.19 98.83 1xpj n GLY 91 Ca 0.02 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.70 -0.01 1.61 2.76 -2.06 -3.27 115.15 113.48 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 0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1xpj h HIS 92 CO 0.00 -0.37 -0.25 -0.25 -1.30 0.00 0.00 177.93 175.76 1xpj n ASP 93 N -5.35 1.12 -4.75 3.26 8.00 -1.26 -4.97 116.55 112.60 1xpj n ASP 93 Ca -0.12 -0.97 -0.30 0.00 0.71 0.00 0.00 54.79 54.11 1xpj n ASP 93 Cb 0.33 0.14 0.11 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.46 1.63 0.37 0.44 0.00 -1.19 -5.08 107.32 101.02 1xpj s GLY 94 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.77 1xpj s GLY 94 CO 0.51 0.38 0.70 -0.11 0.00 0.00 0.00 173.10 174.58 1xpj s PHE 95 N -3.01 0.34 -0.12 1.90 -0.12 -1.26 -4.80 117.98 110.91 1xpj s PHE 95 Ca 0.62 -0.89 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1xpj s PHE 95 Cb -0.17 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1xpj s PHE 95 CO 0.56 -1.44 -0.06 -0.47 -0.05 0.00 0.00 175.22 173.76 1xpj s TYR 96 N -2.62 2.96 -0.18 3.49 5.04 -1.26 -5.00 117.35 119.79 1xpj s TYR 96 Ca 0.19 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1xpj s TYR 96 Cb -0.04 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.44 1xpj s TYR 96 CO 0.13 0.08 -0.19 0.42 -1.34 0.00 0.00 175.55 174.66 1xpj s ILE 97 N -0.09 2.19 -0.17 3.14 1.01 -1.26 -5.11 121.20 120.91 1xpj s ILE 97 Ca 0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1xpj s ILE 97 Cb -0.13 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1xpj s ILE 97 CO 0.03 0.53 0.49 -0.62 0.00 0.00 0.00 174.94 175.37 1xpj s ASP 98 N 1.27 -0.50 0.07 3.58 -1.08 -1.26 -5.05 116.67 113.70 1xpj s ASP 98 Ca 0.04 0.93 0.27 0.00 -0.52 0.00 0.00 52.55 53.28 1xpj s ASP 98 Cb -0.13 0.95 1.08 0.00 -1.46 0.00 0.00 42.92 43.36 1xpj s ASP 98 CO -0.11 -0.20 1.86 -0.90 0.52 0.00 0.00 175.17 176.34 1xpj n ASP 99 N 2.67 0.25 -1.67 -0.34 5.75 -1.26 -3.30 116.55 118.65 1xpj n ASP 99 Ca -0.14 0.53 -0.17 0.00 -0.01 0.00 0.00 54.79 55.00 1xpj n ASP 99 Cb 0.57 -0.59 0.09 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.74 2.86 -4.37 0.11 5.12 -1.26 -4.87 116.66 112.51 1xpj n ARG 100 Ca 0.06 -3.75 -0.34 0.00 -1.93 0.00 0.00 57.85 51.89 1xpj n ARG 100 Cb 0.36 -2.09 -0.11 0.00 -1.16 0.00 0.00 32.46 29.46 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 3.14 0.08 7.54 0.00 -1.21 -5.11 121.76 122.71 1xpj s ALA 101 Ca 0.49 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1xpj s ALA 101 Cb 0.42 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1xpj s ALA 101 CO 0.01 0.37 -0.20 0.14 0.00 0.00 0.00 175.76 176.08 1xpj s VAL 102 N -0.17 1.60 0.53 0.00 -7.23 -1.26 -5.03 120.40 108.84 1xpj s VAL 102 Ca 0.04 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 1xpj s VAL 102 Cb -0.13 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1xpj s VAL 102 CO 0.02 -0.03 0.90 -0.13 -0.31 0.00 0.00 175.10 175.55 1xpj s ARG 103 N -1.72 3.62 0.08 4.82 0.52 -1.26 -4.90 118.95 120.10 1xpj s ARG 103 Ca 0.05 0.50 0.18 0.00 -0.52 0.00 0.00 55.73 55.94 1xpj s ARG 103 Cb -0.10 -2.24 0.75 0.00 0.52 0.00 0.00 34.95 33.88 1xpj s ARG 103 CO 0.03 -0.34 1.56 -0.35 0.02 0.00 0.00 175.30 176.23 1xpj n PRO 104 N -2.30 0.06 0.00 3.54 -0.04 -1.26 -2.00 135.00 133.00 1xpj n PRO 104 Ca 0.03 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1xpj n PRO 104 Cb 0.54 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1xpj n PRO 104 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xpj n SER 105 N -1.72 0.78 0.04 3.54 3.41 -1.26 -2.50 113.62 115.91 1xpj n SER 105 Ca 0.03 -0.89 -0.19 0.00 -0.26 0.00 0.00 58.87 57.56 1xpj n SER 105 Cb 0.20 0.99 -0.13 0.00 -0.26 0.00 0.00 64.21 65.01 1xpj n SER 105 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xpj h GLU 106 N 0.05 0.39 -0.88 4.33 5.08 -1.85 -3.10 114.58 118.60 1xpj h GLU 106 Ca 0.00 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1xpj h GLU 106 Cb 0.38 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1xpj h GLU 106 CO 0.00 1.21 0.58 0.35 -1.00 0.00 0.00 179.01 180.15 1xpj h PHE 107 N -0.17 1.11 -0.06 4.33 3.57 -1.50 -1.61 116.94 122.60 1xpj h PHE 107 Ca -0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 1xpj h PHE 107 Cb 1.55 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1xpj h PHE 107 CO 0.17 0.69 -0.50 0.00 -2.23 0.00 0.00 178.31 176.43 1xpj h ALA 108 N 1.33 1.04 0.00 2.41 0.00 -1.59 -3.32 119.26 119.12 1xpj h ALA 108 Ca 0.33 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1xpj h ALA 108 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xpj h ALA 108 CO -0.08 0.65 -1.98 -1.13 0.00 0.00 0.00 179.25 176.72 1xpj n SER 109 N -3.95 0.34 -4.95 0.00 3.41 -1.11 -4.98 113.62 102.39 1xpj n SER 109 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.36 1xpj n SER 109 Cb 0.54 1.82 -0.03 0.00 -0.26 0.00 0.00 64.21 66.28 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 -3.30 3.39 0.69 4.33 -1.94 -0.62 -5.09 119.30 116.76 1xpj s MET 110 Ca -0.08 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1xpj s MET 110 Cb 0.12 -2.89 0.13 0.00 2.01 0.00 0.00 34.83 34.19 1xpj s MET 110 CO 0.84 0.47 0.95 0.54 -0.01 0.00 0.00 175.02 177.81 1xpj s ASN 111 N -3.65 4.50 0.16 3.03 2.20 -1.26 -4.88 114.94 115.04 1xpj s ASN 111 Ca 0.34 -0.62 -0.16 0.00 -0.94 0.00 0.00 52.86 51.49 1xpj s ASN 111 Cb -0.10 0.25 0.04 0.00 -2.00 0.00 0.00 41.25 39.44 1xpj s ASN 111 CO 0.28 -1.77 1.79 0.25 -2.94 0.00 0.00 177.10 174.72 1xpj h LEU 112 N -0.34 0.36 -0.26 3.54 5.85 -1.99 -2.40 115.31 120.08 1xpj h LEU 112 Ca -0.33 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1xpj h LEU 112 Cb 1.27 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 1xpj h LEU 112 CO 0.39 0.26 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.41 1xpj h GLU 113 N 0.46 -0.25 0.00 1.25 4.81 -1.99 -0.46 114.58 118.40 1xpj h GLU 113 Ca 0.16 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1xpj h GLU 113 Cb 0.02 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1xpj h GLU 113 CO -0.08 -0.17 -0.32 1.05 -0.73 0.00 0.00 179.01 178.77 1xpj h GLU 114 N -0.26 0.00 -0.38 1.92 4.11 -1.94 -0.80 114.58 117.24 1xpj h GLU 114 Ca 0.14 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.41 1xpj h GLU 114 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xpj h GLU 114 CO -0.40 0.32 -0.38 0.82 0.07 0.00 0.00 179.01 179.43 1xpj h ILE 115 N 0.00 1.27 -0.65 -1.06 2.04 -0.90 0.82 117.51 119.03 1xpj h ILE 115 Ca -0.00 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 1xpj h ILE 115 Cb 0.94 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1xpj h ILE 115 CO 0.04 0.52 0.28 0.45 0.00 0.00 0.00 178.15 179.44 1xpj h HIS 116 N 0.74 0.98 -0.61 1.37 3.86 -0.68 -2.30 115.15 118.51 1xpj h HIS 116 Ca 0.06 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1xpj h HIS 116 Cb 0.98 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.10 1xpj h HIS 116 CO 0.06 0.76 0.33 1.96 0.86 0.00 0.00 177.93 181.91 1xpj h GLN 117 N 0.92 0.61 -0.45 2.45 4.20 -1.00 -0.05 115.11 121.79 1xpj h GLN 117 Ca 0.22 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.98 1xpj h GLN 117 Cb 0.18 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1xpj h GLN 117 CO -0.02 0.41 0.31 1.25 -0.67 0.00 0.00 178.83 180.10 1xpj h LEU 118 N 0.63 0.21 0.16 1.46 6.46 -0.43 -2.51 115.31 121.29 1xpj h LEU 118 Ca 0.27 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.69 1xpj h LEU 118 Cb 0.14 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1xpj h LEU 118 CO -0.16 0.13 -1.70 -0.26 -0.62 0.00 0.00 178.44 175.83 1xpj h PHE 119 N 0.23 0.60 0.00 1.25 0.05 -0.80 -3.35 116.94 114.93 1xpj h PHE 119 Ca 0.21 -0.44 -0.01 0.00 3.82 0.00 0.00 57.97 61.54 1xpj h PHE 119 Cb 0.51 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.44 1xpj h PHE 119 CO -0.00 1.57 -0.06 0.93 -0.18 0.00 0.00 178.31 180.56 1xpj h GLU 120 N 0.09 0.00 -0.00 1.51 4.39 -0.81 -0.42 114.58 119.34 1xpj h GLU 120 Ca -0.32 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 1xpj h GLU 120 Cb 2.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 1xpj h GLU 120 CO 0.17 0.06 -0.38 0.87 -1.16 0.00 0.00 179.01 178.57 1xpj h LYS 121 N 0.00 0.00 0.00 2.33 1.57 -1.58 -3.09 116.57 115.80 1xpj h LYS 121 Ca -0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1xpj h LYS 121 Cb 0.32 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1xpj h LYS 121 CO 0.01 0.39 -0.26 0.93 -0.57 0.00 0.00 179.45 179.95 1xpj h GLU 122 N 0.00 0.00 -0.00 3.15 4.39 -1.22 -3.52 114.58 117.37 1xpj h GLU 122 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpj h GLU 122 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1xpj h GLU 122 CO 0.05 0.26 0.00 1.17 -1.16 0.00 0.00 179.01 179.33