#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk7 s THR 2 N 0.00 3.48 0.45 0.00 -4.23 0.27 -4.97 115.64 110.63 1pk7 s THR 2 Ca 0.00 -0.94 0.27 0.00 -1.18 0.00 0.00 61.69 59.84 1pk7 s THR 2 Cb 0.00 -3.20 0.47 0.00 1.34 0.00 0.00 72.50 71.11 1pk7 s THR 2 CO 0.00 -0.09 1.74 -0.65 -0.54 0.00 0.00 174.62 175.08 1pk7 h PRO 3 N 0.68 0.20 0.00 3.99 0.11 -2.01 -2.34 132.00 132.62 1pk7 h PRO 3 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pk7 h PRO 3 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pk7 h PRO 3 CO 0.50 0.13 0.00 0.72 -0.21 0.00 0.00 178.00 179.13 1pk7 n HIS 4 N -4.49 0.00 -3.80 0.65 8.25 -1.26 -4.99 115.22 109.58 1pk7 n HIS 4 Ca 0.29 -0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 57.30 1pk7 n HIS 4 Cb 1.15 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 32.07 1pk7 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pk7 s ILE 5 N -0.41 0.55 -0.86 1.59 1.01 -0.88 -4.71 121.20 117.48 1pk7 s ILE 5 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 1pk7 s ILE 5 Cb 0.00 -0.69 0.21 0.00 0.01 0.00 0.00 42.46 42.00 1pk7 s ILE 5 CO 0.00 0.26 0.83 0.21 0.00 0.00 0.00 174.94 176.24 1pk7 s ASN 6 N 1.90 6.79 0.26 3.58 3.04 -1.26 -0.57 114.94 128.68 1pk7 s ASN 6 Ca 0.05 -2.69 -0.20 0.00 0.04 0.00 0.00 52.86 50.06 1pk7 s ASN 6 Cb -0.13 -2.23 0.02 0.00 -1.54 0.00 0.00 41.25 37.37 1pk7 s ASN 6 CO -0.06 -0.60 0.66 0.00 -3.04 0.00 0.00 177.10 174.06 1pk7 s ALA 7 N 0.33 -1.07 0.24 1.71 0.00 -1.26 -4.56 121.76 117.14 1pk7 s ALA 7 Ca 0.20 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.92 1pk7 s ALA 7 Cb -0.09 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1pk7 s ALA 7 CO -0.09 -0.98 -0.12 -2.00 0.00 0.00 0.00 175.76 172.57 1pk7 s GLU 8 N -3.92 1.95 -0.40 0.00 2.56 -1.26 -1.28 118.70 116.34 1pk7 s GLU 8 Ca 0.12 -1.49 -0.32 0.00 0.00 0.00 0.00 54.97 53.28 1pk7 s GLU 8 Cb -0.05 -2.00 -0.10 0.00 2.00 0.00 0.00 34.13 33.98 1pk7 s GLU 8 CO 0.06 0.38 2.28 -0.12 -0.56 0.00 0.00 175.26 177.29 1pk7 n MET 9 N -0.41 1.14 0.00 4.30 0.00 -1.26 -1.71 117.12 119.18 1pk7 n MET 9 Ca -0.08 0.26 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1pk7 n MET 9 Cb 0.58 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 31.10 1pk7 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pk7 n GLY 10 N 6.31 1.25 0.27 -5.12 0.00 -1.26 -4.99 105.19 101.64 1pk7 n GLY 10 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.47 1pk7 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk7 h ASP 11 N 1.44 0.21 -2.93 1.61 3.32 -1.70 -3.43 116.42 114.94 1pk7 h ASP 11 Ca 0.00 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.44 1pk7 h ASP 11 Cb 0.00 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1pk7 h ASP 11 CO 0.00 0.23 -0.43 -0.36 -1.72 0.00 0.00 179.24 176.96 1pk7 s PHE 12 N -5.08 3.50 0.86 4.55 0.40 -1.26 -4.77 117.98 116.19 1pk7 s PHE 12 Ca -0.06 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.46 1pk7 s PHE 12 Cb 0.17 -1.82 0.13 0.00 0.51 0.00 0.00 43.02 42.00 1pk7 s PHE 12 CO 0.71 0.52 1.22 0.00 0.70 0.00 0.00 175.22 178.37 1pk7 s ALA 13 N -1.61 2.55 -1.53 5.36 0.00 -1.26 -4.93 121.76 120.32 1pk7 s ALA 13 Ca 0.37 -0.94 0.28 0.00 0.00 0.00 0.00 51.96 51.66 1pk7 s ALA 13 Cb -0.12 -2.82 1.44 0.00 0.00 0.00 0.00 23.12 21.61 1pk7 s ALA 13 CO 0.27 -1.97 1.96 -0.40 0.00 0.00 0.00 175.76 175.62 1pk7 n ASP 14 N -3.46 0.00 -3.96 0.00 3.85 -1.26 -4.65 116.55 107.06 1pk7 n ASP 14 Ca 0.11 -0.25 -0.24 0.00 -0.71 0.00 0.00 54.79 53.71 1pk7 n ASP 14 Cb 0.60 -0.23 -0.17 0.00 -1.35 0.00 0.00 41.12 39.97 1pk7 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pk7 s VAL 15 N -2.47 0.94 -0.03 2.12 1.01 -1.26 -1.45 120.40 119.27 1pk7 s VAL 15 Ca 0.29 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1pk7 s VAL 15 Cb 0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1pk7 s VAL 15 CO 0.40 0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 174.96 1pk7 s VAL 16 N 0.95 1.40 -0.13 2.92 1.01 -0.93 -2.44 120.40 123.18 1pk7 s VAL 16 Ca -0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1pk7 s VAL 16 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1pk7 s VAL 16 CO 0.00 0.40 0.12 -0.76 0.00 0.00 0.00 175.10 174.86 1pk7 s LEU 17 N -0.23 4.23 -0.18 3.92 1.02 -0.51 -1.30 118.68 125.62 1pk7 s LEU 17 Ca 0.03 0.37 -0.03 0.00 0.02 0.00 0.00 54.13 54.51 1pk7 s LEU 17 Cb -0.09 -2.04 0.06 0.00 0.02 0.00 0.00 46.19 44.14 1pk7 s LEU 17 CO 0.00 0.35 0.04 -0.04 0.02 0.00 0.00 176.35 176.73 1pk7 s MET 18 N -0.70 0.59 0.29 1.70 -1.94 0.12 -2.52 119.30 116.83 1pk7 s MET 18 Ca 0.13 -0.35 0.01 0.00 -1.71 0.00 0.00 55.69 53.77 1pk7 s MET 18 Cb -0.12 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1pk7 s MET 18 CO 0.03 -0.62 0.47 -1.25 -0.01 0.00 0.00 175.02 173.64 1pk7 s PRO 19 N 1.90 3.49 0.20 2.03 0.04 -1.25 -1.06 135.00 140.35 1pk7 s PRO 19 Ca -0.00 -0.40 -0.04 0.00 0.04 0.00 0.00 61.00 60.59 1pk7 s PRO 19 Cb -0.17 -2.75 0.14 0.00 0.04 0.00 0.00 34.50 31.76 1pk7 s PRO 19 CO -0.08 0.27 1.55 0.78 0.04 0.00 0.00 177.00 179.56 1pk7 h GLY 20 N 1.19 0.72 -5.75 0.56 0.00 -1.84 -1.47 103.07 96.47 1pk7 h GLY 20 Ca -0.50 -0.74 -0.57 0.00 0.00 0.00 0.00 47.33 45.53 1pk7 h GLY 20 CO 0.63 0.67 0.96 -0.35 0.00 0.00 0.00 176.54 178.45 1pk7 s ASP 21 N -6.86 6.73 0.22 0.19 -1.08 -1.26 -1.81 116.67 112.80 1pk7 s ASP 21 Ca -0.08 1.34 -0.09 0.00 -0.52 0.00 0.00 52.55 53.20 1pk7 s ASP 21 Cb 0.12 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.25 1pk7 s ASP 21 CO 0.84 -1.01 1.86 -0.65 0.52 0.00 0.00 175.17 176.74 1pk7 h PRO 22 N 9.07 0.94 -0.02 4.34 0.11 -1.89 -1.18 132.00 143.35 1pk7 h PRO 22 Ca -0.26 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1pk7 h PRO 22 Cb 1.10 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1pk7 h PRO 22 CO 1.02 0.62 -0.13 -0.07 -0.21 0.00 0.00 178.00 179.22 1pk7 h LEU 23 N 0.96 0.03 -0.57 2.35 3.38 -1.91 -1.81 115.31 117.74 1pk7 h LEU 23 Ca 0.30 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 1pk7 h LEU 23 Cb -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pk7 h LEU 23 CO -0.10 0.17 -0.61 -0.09 0.09 0.00 0.00 178.44 177.89 1pk7 h ARG 24 N 0.04 0.36 -0.59 1.13 2.43 -1.63 -0.76 114.38 115.35 1pk7 h ARG 24 Ca 0.01 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1pk7 h ARG 24 Cb 0.26 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1pk7 h ARG 24 CO 0.02 0.86 0.37 0.00 -1.51 0.00 0.00 179.97 179.71 1pk7 h ALA 25 N 1.08 0.75 -0.60 2.80 0.00 -0.83 -0.07 119.26 122.39 1pk7 h ALA 25 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1pk7 h ALA 25 Cb 1.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1pk7 h ALA 25 CO 0.10 0.21 0.16 -0.22 0.00 0.00 0.00 179.25 179.50 1pk7 h LYS 26 N 0.80 0.96 -0.88 0.00 3.64 -1.19 -0.04 116.57 119.85 1pk7 h LYS 26 Ca 0.21 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pk7 h LYS 26 Cb -0.05 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1pk7 h LYS 26 CO -0.04 0.87 0.46 -0.92 -2.27 0.00 0.00 179.45 177.55 1pk7 h TYR 27 N 0.87 1.23 -0.32 1.91 5.03 -0.67 -0.69 116.97 124.33 1pk7 h TYR 27 Ca 0.19 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.41 1pk7 h TYR 27 Cb 0.33 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1pk7 h TYR 27 CO 0.02 0.86 0.01 0.82 -1.32 0.00 0.00 178.16 178.55 1pk7 h ILE 28 N 1.24 1.25 -0.91 1.81 2.04 -0.57 -1.58 117.51 120.80 1pk7 h ILE 28 Ca 0.31 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1pk7 h ILE 28 Cb 0.06 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1pk7 h ILE 28 CO -0.05 0.30 0.59 0.00 0.00 0.00 0.00 178.15 178.99 1pk7 h ALA 29 N 0.86 1.15 0.00 1.87 0.00 -0.62 0.95 119.26 123.47 1pk7 h ALA 29 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pk7 h ALA 29 Cb 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pk7 h ALA 29 CO 0.01 0.57 -0.32 0.93 0.00 0.00 0.00 179.25 180.44 1pk7 h GLU 30 N 1.24 0.00 0.00 0.00 5.08 -0.98 -2.95 114.58 116.96 1pk7 h GLU 30 Ca 0.33 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.32 1pk7 h GLU 30 Cb -0.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1pk7 h GLU 30 CO -0.07 0.32 -2.39 2.41 -1.00 0.00 0.00 179.01 178.27 1pk7 n THR 31 N -3.36 1.40 -0.02 1.13 -1.04 -0.61 -4.78 114.28 107.00 1pk7 n THR 31 Ca 0.01 -0.82 -0.01 0.00 -2.04 0.00 0.00 64.05 61.19 1pk7 n THR 31 Cb 0.53 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 1pk7 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1pk7 n PHE 32 N -2.81 0.00 -3.30 -1.42 3.01 0.30 -5.04 117.46 108.20 1pk7 n PHE 32 Ca -0.34 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 57.86 1pk7 n PHE 32 Cb 1.14 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 40.35 1pk7 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pk7 s LEU 33 N -4.07 3.99 -0.03 4.37 1.02 -1.11 -4.71 118.68 118.13 1pk7 s LEU 33 Ca -0.03 0.55 0.05 0.00 0.02 0.00 0.00 54.13 54.72 1pk7 s LEU 33 Cb 0.03 -3.41 -0.02 0.00 0.02 0.00 0.00 46.19 42.81 1pk7 s LEU 33 CO 0.26 -0.30 -0.18 -1.61 0.02 0.00 0.00 176.35 174.54 1pk7 s GLU 34 N -4.20 2.34 -1.35 1.70 2.02 0.23 -4.68 118.70 114.75 1pk7 s GLU 34 Ca 0.41 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 1pk7 s GLU 34 Cb -0.10 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1pk7 s GLU 34 CO 0.36 0.60 0.48 -0.25 0.02 0.00 0.00 175.26 176.46 1pk7 n ASP 35 N 2.25 -1.32 -4.80 -0.19 9.92 -1.26 -2.25 116.55 118.91 1pk7 n ASP 35 Ca -0.17 -1.03 -0.39 0.00 -0.53 0.00 0.00 54.79 52.67 1pk7 n ASP 35 Cb 0.52 -3.00 -0.06 0.00 -0.64 0.00 0.00 41.12 37.94 1pk7 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pk7 s ALA 36 N -3.87 3.55 0.08 2.24 0.00 -1.26 -4.60 121.76 117.90 1pk7 s ALA 36 Ca 0.11 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1pk7 s ALA 36 Cb -0.04 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1pk7 s ALA 36 CO 0.89 0.34 -0.18 -0.98 0.00 0.00 0.00 175.76 175.84 1pk7 s ARG 37 N -0.95 0.98 -0.12 0.00 1.04 -0.91 -4.94 118.95 114.06 1pk7 s ARG 37 Ca 0.31 -1.04 -0.30 0.00 -1.04 0.00 0.00 55.73 53.66 1pk7 s ARG 37 Cb -0.20 -1.11 -0.02 0.00 -2.04 0.00 0.00 34.95 31.58 1pk7 s ARG 37 CO 0.20 0.26 1.11 -2.00 -0.04 0.00 0.00 175.30 174.83 1pk7 s GLU 38 N -1.78 4.35 -0.01 3.89 2.12 -1.26 -2.20 118.70 123.81 1pk7 s GLU 38 Ca 0.02 1.52 0.14 0.00 0.36 0.00 0.00 54.97 57.01 1pk7 s GLU 38 Cb -0.10 -3.59 -0.17 0.00 0.26 0.00 0.00 34.13 30.53 1pk7 s GLU 38 CO 0.03 -0.46 0.52 1.33 -0.54 0.00 0.00 175.26 176.14 1pk7 n VAL 39 N 4.80 0.00 -3.74 3.70 0.24 -0.12 -4.99 118.33 118.22 1pk7 n VAL 39 Ca 0.11 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1pk7 n VAL 39 Cb 0.47 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 33.54 1pk7 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pk7 s ASN 40 N -2.65 -0.29 0.00 -1.34 2.47 -1.15 -4.38 114.94 107.60 1pk7 s ASN 40 Ca 0.03 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1pk7 s ASN 40 Cb 0.10 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.37 1pk7 s ASN 40 CO 0.58 -0.37 0.09 -0.46 -3.72 0.00 0.00 177.10 173.22 1pk7 n ASN 41 N 1.69 0.00 -4.71 -4.21 6.94 -1.26 -1.37 115.26 112.34 1pk7 n ASN 41 Ca -0.19 -1.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.94 1pk7 n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1pk7 n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1pk7 n VAL 42 N 0.00 0.57 -1.64 3.53 0.31 -1.26 -0.46 118.33 119.38 1pk7 n VAL 42 Ca 0.00 -0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1pk7 n VAL 42 Cb 0.43 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 1pk7 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pk7 n ARG 43 N 2.83 -1.47 -0.89 5.55 1.74 -1.26 -0.49 116.66 122.67 1pk7 n ARG 43 Ca 0.12 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1pk7 n ARG 43 Cb 0.34 -5.26 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 1pk7 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pk7 n GLY 44 N -0.40 0.39 2.72 -0.13 0.00 0.40 -4.89 105.19 103.28 1pk7 n GLY 44 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1pk7 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pk7 n MET 45 N -1.54 2.90 -1.64 1.61 0.00 0.35 -4.87 117.12 113.93 1pk7 n MET 45 Ca 0.00 -2.62 -0.53 0.00 0.00 0.00 0.00 57.70 54.55 1pk7 n MET 45 Cb 0.12 -3.26 -0.06 0.00 0.00 0.00 0.00 33.22 30.02 1pk7 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pk7 n LEU 46 N 5.95 2.08 -4.28 -0.89 4.77 -1.26 -4.35 117.00 119.04 1pk7 n LEU 46 Ca 0.52 1.10 -0.27 0.00 -0.03 0.00 0.00 56.01 57.32 1pk7 n LEU 46 Cb 0.38 -1.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 1pk7 n LEU 46 CO 0.90 -0.75 -0.54 -0.83 -1.33 0.00 0.00 177.39 174.84 1pk7 s GLY 47 N 1.56 1.19 0.07 -0.72 0.00 -0.47 -3.08 107.32 105.87 1pk7 s GLY 47 Ca 0.88 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1pk7 s GLY 47 CO 0.51 -0.99 -0.07 -1.36 0.00 0.00 0.00 173.10 171.19 1pk7 s PHE 48 N -0.74 0.80 -0.09 1.90 0.08 0.30 -0.95 117.98 119.28 1pk7 s PHE 48 Ca 0.09 -0.71 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 1pk7 s PHE 48 Cb -0.09 -0.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.94 1pk7 s PHE 48 CO 0.01 -0.11 0.19 0.99 -0.10 0.00 0.00 175.22 176.20 1pk7 s THR 49 N -2.53 -0.22 0.00 0.64 2.01 -0.93 0.05 115.64 114.65 1pk7 s THR 49 Ca 0.02 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1pk7 s THR 49 Cb -0.02 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1pk7 s THR 49 CO -0.02 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1pk7 n GLY 50 N 4.93 4.82 3.00 4.40 0.00 0.27 -2.14 105.19 120.49 1pk7 n GLY 50 Ca -0.13 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1pk7 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk7 s THR 51 N 0.77 0.26 -0.21 2.61 -4.23 -0.95 -1.18 115.64 112.70 1pk7 s THR 51 Ca 0.00 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1pk7 s THR 51 Cb 0.00 -0.37 0.06 0.00 1.34 0.00 0.00 72.50 73.53 1pk7 s THR 51 CO 0.00 -0.43 -0.00 -0.47 -0.54 0.00 0.00 174.62 173.18 1pk7 s TYR 52 N -1.36 1.56 -1.39 3.99 6.14 0.17 -0.60 117.35 125.86 1pk7 s TYR 52 Ca -0.13 -1.19 -0.04 0.00 0.64 0.00 0.00 57.07 56.35 1pk7 s TYR 52 Cb -0.10 -1.24 0.03 0.00 0.42 0.00 0.00 41.96 41.07 1pk7 s TYR 52 CO -0.00 -0.67 0.72 1.63 0.64 0.00 0.00 175.55 177.87 1pk7 n LYS 53 N 4.90 -4.74 0.00 4.97 5.02 -1.26 -1.87 118.16 125.18 1pk7 n LYS 53 Ca -0.10 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1pk7 n LYS 53 Cb 0.46 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1pk7 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk7 n GLY 54 N -1.67 2.52 3.76 0.72 0.00 -1.26 -5.03 105.19 104.23 1pk7 n GLY 54 Ca -0.21 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1pk7 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pk7 s ARG 55 N 0.00 4.62 -0.03 1.61 3.52 -0.78 -4.96 118.95 122.93 1pk7 s ARG 55 Ca 0.00 1.72 -0.27 0.00 -0.13 0.00 0.00 55.73 57.05 1pk7 s ARG 55 Cb 0.00 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1pk7 s ARG 55 CO 0.00 0.22 0.86 0.21 -0.81 0.00 0.00 175.30 175.78 1pk7 s LYS 56 N -1.54 4.51 0.05 5.12 2.20 -1.26 0.44 119.74 129.27 1pk7 s LYS 56 Ca 0.46 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1pk7 s LYS 56 Cb -0.30 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1pk7 s LYS 56 CO 0.38 -0.01 0.05 0.42 -0.36 0.00 0.00 175.35 175.84 1pk7 s ILE 57 N 0.94 0.17 0.18 5.43 -1.09 -0.32 -4.72 121.20 121.79 1pk7 s ILE 57 Ca 0.46 -1.44 0.07 0.00 -2.23 0.00 0.00 60.65 57.51 1pk7 s ILE 57 Cb -0.20 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 1pk7 s ILE 57 CO 0.24 -0.79 -0.14 -0.44 -1.23 0.00 0.00 174.94 172.57 1pk7 s SER 58 N -2.63 2.39 -0.10 3.58 0.01 -1.02 -0.56 113.70 115.36 1pk7 s SER 58 Ca 0.02 -0.98 -0.06 0.00 1.31 0.00 0.00 55.95 56.25 1pk7 s SER 58 Cb 0.04 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1pk7 s SER 58 CO -0.08 -0.18 0.25 0.54 0.41 0.00 0.00 173.24 174.17 1pk7 s VAL 59 N -2.84 -0.04 -0.24 3.43 0.11 0.11 -1.43 120.40 119.50 1pk7 s VAL 59 Ca 0.19 0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 59.19 1pk7 s VAL 59 Cb -0.01 -0.38 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 1pk7 s VAL 59 CO 0.05 0.05 0.62 -0.32 -3.33 0.00 0.00 175.10 172.18 1pk7 s MET 60 N 1.12 0.69 0.86 1.54 0.00 -1.05 0.11 119.30 122.57 1pk7 s MET 60 Ca -0.08 0.97 -0.11 0.00 0.00 0.00 0.00 55.69 56.47 1pk7 s MET 60 Cb -0.09 0.25 0.11 0.00 0.00 0.00 0.00 34.83 35.09 1pk7 s MET 60 CO -0.08 -0.11 1.09 0.20 0.00 0.00 0.00 175.02 176.12 1pk7 s GLY 61 N 0.85 1.63 0.00 2.11 0.00 -1.18 -3.95 107.32 106.79 1pk7 s GLY 61 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1pk7 s GLY 61 CO -0.07 0.46 0.44 -2.39 0.00 0.00 0.00 173.10 171.53 1pk7 n HIS 62 N -3.77 0.00 -0.42 1.90 1.44 -0.55 -4.88 115.22 108.94 1pk7 n HIS 62 Ca 0.07 -0.04 0.06 0.00 -2.01 0.00 0.00 57.72 55.80 1pk7 n HIS 62 Cb 0.55 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.64 1pk7 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pk7 n GLY 63 N -0.04 -1.90 3.82 -1.39 0.00 -0.75 -3.34 105.19 101.59 1pk7 n GLY 63 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1pk7 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk7 s MET 64 N -2.01 4.20 0.00 1.61 1.00 -1.26 -4.57 119.30 118.28 1pk7 s MET 64 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 55.69 56.45 1pk7 s MET 64 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 34.83 31.74 1pk7 s MET 64 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.02 175.97 1pk7 n GLY 65 N 1.26 1.74 0.09 -0.03 0.00 -1.25 -4.44 105.19 102.56 1pk7 n GLY 65 Ca -0.07 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1pk7 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pk7 h ILE 66 N 0.00 0.86 -0.31 -0.61 2.04 -1.76 -1.94 117.51 115.79 1pk7 h ILE 66 Ca 0.00 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1pk7 h ILE 66 Cb 0.00 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1pk7 h ILE 66 CO 0.00 0.01 0.21 1.55 0.00 0.00 0.00 178.15 179.91 1pk7 h PRO 67 N 0.03 0.27 0.45 2.37 0.13 -1.90 -0.33 132.00 133.01 1pk7 h PRO 67 Ca 0.08 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1pk7 h PRO 67 Cb 0.11 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1pk7 h PRO 67 CO -0.15 0.18 -0.22 1.03 -0.23 0.00 0.00 178.00 178.61 1pk7 h SER 68 N 0.27 -0.51 0.23 1.44 0.87 -1.63 -3.03 113.55 111.19 1pk7 h SER 68 Ca 0.13 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1pk7 h SER 68 Cb 0.17 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1pk7 h SER 68 CO -0.03 -0.18 -0.01 0.00 -0.53 0.00 0.00 176.83 176.08 1pk7 h SER 70 N 0.00 0.19 0.10 0.00 0.02 -1.07 -1.17 113.55 111.62 1pk7 h SER 70 Ca -0.00 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1pk7 h SER 70 Cb 0.13 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1pk7 h SER 70 CO 0.00 0.49 -0.36 0.40 -1.14 0.00 0.00 176.83 176.22 1pk7 h ILE 71 N -0.10 0.25 -0.26 3.27 2.04 -1.27 -1.63 117.51 119.82 1pk7 h ILE 71 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1pk7 h ILE 71 Cb 0.39 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1pk7 h ILE 71 CO 0.01 0.00 0.16 1.88 0.00 0.00 0.00 178.15 180.20 1pk7 h TYR 72 N -0.58 0.31 -0.07 1.37 0.05 -1.51 -1.65 116.97 114.89 1pk7 h TYR 72 Ca 0.03 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1pk7 h TYR 72 Cb 0.61 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1pk7 h TYR 72 CO -0.32 0.19 -0.25 1.79 -1.05 0.00 0.00 178.16 178.52 1pk7 h THR 73 N 0.33 1.21 -0.20 -2.88 1.35 -1.17 -2.37 112.91 109.19 1pk7 h THR 73 Ca 0.10 -0.98 -0.16 0.00 -0.55 0.00 0.00 66.41 64.82 1pk7 h THR 73 Cb -0.03 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1pk7 h THR 73 CO -0.03 0.29 -0.51 0.50 -0.25 0.00 0.00 175.52 175.52 1pk7 h LYS 74 N 0.10 0.70 -0.34 4.72 3.11 -0.98 -2.37 116.57 121.50 1pk7 h LYS 74 Ca 0.02 -0.48 -0.14 0.00 -2.81 0.00 0.00 60.65 57.23 1pk7 h LYS 74 Cb 0.50 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1pk7 h LYS 74 CO 0.04 1.11 -0.34 0.93 -2.81 0.00 0.00 179.45 178.37 1pk7 h GLU 75 N 0.40 0.77 -0.46 1.90 5.08 -1.14 -1.65 114.58 119.48 1pk7 h GLU 75 Ca -0.01 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1pk7 h GLU 75 Cb 1.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1pk7 h GLU 75 CO 0.11 1.00 0.03 -0.07 -1.00 0.00 0.00 179.01 179.08 1pk7 h LEU 76 N 0.65 0.77 -0.76 1.33 3.38 -1.47 0.86 115.31 120.07 1pk7 h LEU 76 Ca 0.07 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1pk7 h LEU 76 Cb 0.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pk7 h LEU 76 CO 0.08 0.87 -0.28 0.40 0.09 0.00 0.00 178.44 179.60 1pk7 h ILE 77 N 0.65 1.28 0.00 1.22 2.04 -1.33 -2.09 117.51 119.28 1pk7 h ILE 77 Ca 0.14 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1pk7 h ILE 77 Cb 0.45 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1pk7 h ILE 77 CO 0.02 0.44 -1.36 0.35 0.00 0.00 0.00 178.15 177.60 1pk7 n THR 78 N -4.09 0.01 -0.33 -0.27 -2.24 -0.63 -4.22 114.28 102.51 1pk7 n THR 78 Ca -0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1pk7 n THR 78 Cb 0.45 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1pk7 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pk7 n ASP 79 N -1.82 0.78 -0.03 3.42 9.92 0.29 -4.78 116.55 124.33 1pk7 n ASP 79 Ca 0.01 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 1pk7 n ASP 79 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1pk7 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pk7 n PHE 80 N -0.06 0.00 -2.77 1.24 3.01 -0.81 -4.55 117.46 113.52 1pk7 n PHE 80 Ca 0.00 -0.14 -0.20 0.00 1.01 0.00 0.00 57.45 58.12 1pk7 n PHE 80 Cb 0.12 -0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1pk7 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk7 n GLY 81 N -0.15 -0.41 3.73 1.37 0.00 -1.15 -4.68 105.19 103.89 1pk7 n GLY 81 Ca 0.00 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pk7 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk7 s VAL 82 N -3.07 4.69 -0.13 1.61 1.01 -1.07 -4.66 120.40 118.77 1pk7 s VAL 82 Ca 0.19 1.95 0.08 0.00 0.00 0.00 0.00 61.98 64.20 1pk7 s VAL 82 Cb -0.09 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.89 1pk7 s VAL 82 CO 0.24 0.28 -0.01 0.29 0.00 0.00 0.00 175.10 175.89 1pk7 n LYS 83 N 3.18 1.49 -4.87 2.72 4.76 -0.53 -4.54 118.16 120.37 1pk7 n LYS 83 Ca 0.02 0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 55.22 1pk7 n LYS 83 Cb 0.50 -1.31 -0.15 0.00 -1.84 0.00 0.00 35.03 32.23 1pk7 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pk7 s LYS 84 N -2.30 1.59 -0.04 1.97 1.02 -0.82 -1.80 119.74 119.36 1pk7 s LYS 84 Ca -0.11 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1pk7 s LYS 84 Cb 0.04 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 1pk7 s LYS 84 CO 0.46 0.43 -0.03 0.42 -0.92 0.00 0.00 175.35 175.71 1pk7 s ILE 85 N -0.64 0.37 -0.29 2.17 1.01 -0.67 -2.18 121.20 120.96 1pk7 s ILE 85 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1pk7 s ILE 85 Cb -0.09 -0.43 0.09 0.00 0.01 0.00 0.00 42.46 42.05 1pk7 s ILE 85 CO 0.00 0.19 0.05 -0.63 0.00 0.00 0.00 174.94 174.55 1pk7 s ILE 86 N 0.92 1.29 0.21 2.92 1.01 -0.42 -1.82 121.20 125.30 1pk7 s ILE 86 Ca -0.11 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 1pk7 s ILE 86 Cb -0.14 -1.85 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 1pk7 s ILE 86 CO -0.01 -0.49 1.12 -0.60 0.00 0.00 0.00 174.94 174.97 1pk7 s ARG 87 N 1.44 4.59 -0.38 2.79 3.52 -0.68 -0.70 118.95 129.52 1pk7 s ARG 87 Ca 0.06 1.77 0.02 0.00 -0.13 0.00 0.00 55.73 57.44 1pk7 s ARG 87 Cb -0.18 -3.25 0.12 0.00 -1.56 0.00 0.00 34.95 30.08 1pk7 s ARG 87 CO -0.16 0.08 0.16 0.14 -0.81 0.00 0.00 175.30 174.71 1pk7 s VAL 88 N -0.46 1.46 0.00 7.11 -7.23 -0.22 -1.54 120.40 119.52 1pk7 s VAL 88 Ca 0.49 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1pk7 s VAL 88 Cb -0.31 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1pk7 s VAL 88 CO 0.37 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1pk7 n GLY 89 N 4.08 5.46 3.61 2.32 0.00 -0.87 -4.04 105.19 115.75 1pk7 n GLY 89 Ca 0.04 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1pk7 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk7 s SER 90 N 0.16 4.28 0.28 1.61 1.04 -1.26 -1.26 113.70 118.54 1pk7 s SER 90 Ca 0.00 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 1pk7 s SER 90 Cb 0.00 -0.66 -0.00 0.00 0.10 0.00 0.00 66.02 65.45 1pk7 s SER 90 CO 0.00 -0.06 0.44 0.00 0.98 0.00 0.00 173.24 174.61 1pk7 s GLY 92 N -3.11 1.82 0.21 0.00 0.00 -0.30 -0.83 107.32 105.12 1pk7 s GLY 92 Ca 0.27 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 1pk7 s GLY 92 CO 0.13 -0.68 0.57 0.00 0.00 0.00 0.00 173.10 173.12 1pk7 s ALA 93 N -0.94 3.54 0.00 3.20 0.00 0.46 -0.01 121.76 128.01 1pk7 s ALA 93 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1pk7 s ALA 93 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1pk7 s ALA 93 CO 0.05 0.47 0.00 1.55 0.00 0.00 0.00 175.76 177.83 1pk7 n VAL 94 N 0.13 0.00 -3.16 0.00 3.14 -1.26 -1.73 118.33 115.44 1pk7 n VAL 94 Ca -0.01 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.02 1pk7 n VAL 94 Cb 0.52 -0.70 -0.06 0.00 -1.06 0.00 0.00 33.84 32.55 1pk7 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pk7 s LEU 95 N -3.38 4.27 0.09 6.55 1.43 -1.26 -4.89 118.68 121.49 1pk7 s LEU 95 Ca 0.00 1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 1pk7 s LEU 95 Cb 0.00 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 1pk7 s LEU 95 CO 0.00 -0.01 1.65 -0.65 0.23 0.00 0.00 176.35 177.57 1pk7 h PRO 96 N 3.15 0.20 -1.19 1.29 0.11 -2.00 -3.06 132.00 130.49 1pk7 h PRO 96 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pk7 h PRO 96 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pk7 h PRO 96 CO 0.65 0.26 0.00 -2.39 -0.21 0.00 0.00 178.00 176.31 1pk7 n HIS 97 N -4.91 0.00 -3.89 0.65 1.44 -1.26 -4.61 115.22 102.64 1pk7 n HIS 97 Ca -0.05 -0.53 -0.29 0.00 -2.01 0.00 0.00 57.72 54.84 1pk7 n HIS 97 Cb 0.10 -0.27 -0.16 0.00 0.12 0.00 0.00 29.99 29.78 1pk7 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pk7 s VAL 98 N 0.08 1.27 0.47 0.61 1.01 -1.16 -5.13 120.40 117.54 1pk7 s VAL 98 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1pk7 s VAL 98 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1pk7 s VAL 98 CO 0.00 -0.08 0.71 -0.54 0.00 0.00 0.00 175.10 175.19 1pk7 s LYS 99 N 1.52 3.15 0.58 2.72 3.01 -1.26 -4.88 119.74 124.58 1pk7 s LYS 99 Ca -0.04 -0.30 -0.19 0.00 -1.01 0.00 0.00 55.97 54.44 1pk7 s LYS 99 Cb -0.18 -2.50 -0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1pk7 s LYS 99 CO -0.07 -0.29 1.16 -1.17 0.51 0.00 0.00 175.35 175.49 1pk7 s LEU 100 N -4.63 3.66 0.00 3.17 2.96 -1.26 -2.44 118.68 120.14 1pk7 s LEU 100 Ca 0.48 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1pk7 s LEU 100 Cb -0.10 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.00 1pk7 s LEU 100 CO 0.40 -1.44 0.00 0.54 -1.32 0.00 0.00 176.35 174.53 1pk7 n ARG 101 N -1.58 0.00 -1.94 1.98 1.74 -0.13 -4.96 116.66 111.77 1pk7 n ARG 101 Ca 0.12 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 1pk7 n ARG 101 Cb 0.51 -2.56 0.04 0.00 -1.02 0.00 0.00 32.46 29.42 1pk7 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pk7 s ASP 102 N -3.12 5.13 -0.19 0.55 1.11 -1.02 -4.64 116.67 114.50 1pk7 s ASP 102 Ca 0.00 2.29 -0.06 0.00 0.18 0.00 0.00 52.55 54.97 1pk7 s ASP 102 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1pk7 s ASP 102 CO 0.00 -1.63 0.02 -0.69 1.18 0.00 0.00 175.17 174.05 1pk7 s VAL 103 N -1.78 4.23 0.01 -1.27 1.01 -1.26 -0.79 120.40 120.56 1pk7 s VAL 103 Ca 0.75 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1pk7 s VAL 103 Cb -0.28 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1pk7 s VAL 103 CO 0.35 0.45 -0.25 0.68 0.00 0.00 0.00 175.10 176.32 1pk7 s VAL 104 N 0.67 2.01 -0.30 2.92 -7.23 0.09 -1.29 120.40 117.27 1pk7 s VAL 104 Ca 0.01 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1pk7 s VAL 104 Cb -0.14 -1.70 0.05 0.00 0.56 0.00 0.00 36.38 35.15 1pk7 s VAL 104 CO 0.02 0.45 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.63 1pk7 s ILE 105 N -0.69 3.01 -0.58 -0.62 1.01 0.12 -0.95 121.20 122.51 1pk7 s ILE 105 Ca 0.10 -1.35 -0.28 0.00 0.00 0.00 0.00 60.65 59.12 1pk7 s ILE 105 Cb -0.10 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1pk7 s ILE 105 CO 0.00 -0.09 1.38 -0.83 0.00 0.00 0.00 174.94 175.40 1pk7 s GLY 106 N 1.26 0.91 0.20 6.18 0.00 -0.57 -0.94 107.32 114.37 1pk7 s GLY 106 Ca -0.05 -0.76 0.11 0.00 0.00 0.00 0.00 44.72 44.03 1pk7 s GLY 106 CO -0.01 2.75 1.36 1.98 0.00 0.00 0.00 173.10 179.18 1pk7 h MET 107 N 10.81 0.00 -4.08 2.90 4.05 -0.75 -3.39 114.93 124.47 1pk7 h MET 107 Ca -0.27 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.02 1pk7 h MET 107 Cb 1.08 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.75 1pk7 h MET 107 CO 1.19 0.75 -0.42 0.20 0.23 0.00 0.00 176.91 178.85 1pk7 s GLY 108 N -4.59 0.69 -0.11 1.39 0.00 -1.06 -0.58 107.32 103.07 1pk7 s GLY 108 Ca 0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1pk7 s GLY 108 CO 0.78 -1.01 0.21 0.00 0.00 0.00 0.00 173.10 173.08 1pk7 s ALA 109 N -4.01 -0.34 0.86 3.20 0.00 -0.64 -1.19 121.76 119.63 1pk7 s ALA 109 Ca 0.21 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1pk7 s ALA 109 Cb 0.05 -0.91 0.15 0.00 0.00 0.00 0.00 23.12 22.40 1pk7 s ALA 109 CO 0.02 -0.60 1.20 0.00 0.00 0.00 0.00 175.76 176.38 1pk7 s THR 111 N -3.62 0.00 -0.50 0.00 -1.32 -1.26 -0.91 115.64 108.03 1pk7 s THR 111 Ca 0.69 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.26 1pk7 s THR 111 Cb -0.06 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.18 1pk7 s THR 111 CO 0.50 0.00 1.20 -0.90 -2.21 0.00 0.00 174.62 173.21 1pk7 n ASP 112 N 0.02 2.78 -4.92 8.08 3.85 -1.17 -4.98 116.55 120.20 1pk7 n ASP 112 Ca -0.07 -2.23 -0.26 0.00 -0.71 0.00 0.00 54.79 51.51 1pk7 n ASP 112 Cb 0.60 -0.23 -0.00 0.00 -1.35 0.00 0.00 41.12 40.14 1pk7 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pk7 s SER 113 N -1.28 6.20 0.00 -1.12 0.15 -1.26 -4.86 113.70 111.54 1pk7 s SER 113 Ca 0.20 0.80 0.19 0.00 0.70 0.00 0.00 55.95 57.84 1pk7 s SER 113 Cb 0.13 -2.14 -0.09 0.00 -1.71 0.00 0.00 66.02 62.21 1pk7 s SER 113 CO 0.09 -0.56 0.90 0.29 1.20 0.00 0.00 173.24 175.16 1pk7 n LYS 114 N -2.19 1.21 -0.30 5.44 5.02 -1.26 -4.59 118.16 121.49 1pk7 n LYS 114 Ca -0.00 -0.52 0.11 0.00 -2.02 0.00 0.00 58.31 55.88 1pk7 n LYS 114 Cb 0.56 -1.38 0.28 0.00 -0.02 0.00 0.00 35.03 34.47 1pk7 n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1pk7 h VAL 115 N 1.23 0.56 -0.04 -0.18 -1.51 -2.00 -1.31 116.25 113.00 1pk7 h VAL 115 Ca 0.00 -0.16 -0.19 0.00 -1.23 0.00 0.00 66.70 65.12 1pk7 h VAL 115 Cb 0.56 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.76 1pk7 h VAL 115 CO 0.00 0.09 -0.78 0.78 -1.23 0.00 0.00 177.57 176.43 1pk7 h ASN 116 N 0.47 0.38 0.42 4.19 -0.26 -1.93 -2.92 115.58 115.92 1pk7 h ASN 116 Ca 0.53 -0.27 -0.08 0.00 -0.56 0.00 0.00 56.30 55.92 1pk7 h ASN 116 Cb 0.93 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 1pk7 h ASN 116 CO -0.47 1.01 -0.40 0.03 -1.06 0.00 0.00 177.43 176.54 1pk7 h ARG 117 N 0.20 0.00 0.00 0.81 3.08 -1.53 0.19 114.38 117.13 1pk7 h ARG 117 Ca -0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1pk7 h ARG 117 Cb 1.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 1pk7 h ARG 117 CO 0.13 0.40 -0.53 0.82 -1.07 0.00 0.00 179.97 179.71 1pk7 h ILE 118 N 0.00 1.35 0.13 2.04 2.04 -1.23 0.78 117.51 122.62 1pk7 h ILE 118 Ca -0.00 -1.85 -0.30 0.00 1.00 0.00 0.00 64.86 63.71 1pk7 h ILE 118 Cb 0.72 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1pk7 h ILE 118 CO 0.05 0.52 -1.43 0.03 0.00 0.00 0.00 178.15 177.33 1pk7 h ARG 119 N 0.00 0.26 -1.55 2.37 3.08 -1.13 -3.38 114.38 114.04 1pk7 h ARG 119 Ca -0.01 -0.45 -0.69 0.00 0.07 0.00 0.00 59.98 58.90 1pk7 h ARG 119 Cb 0.96 0.17 -0.32 0.00 0.08 0.00 0.00 29.97 30.86 1pk7 h ARG 119 CO 0.07 1.16 0.45 0.34 -1.07 0.00 0.00 179.97 180.92 1pk7 n PHE 120 N -3.49 3.11 -4.48 3.04 7.35 0.59 -4.91 117.46 118.67 1pk7 n PHE 120 Ca -0.14 -2.64 -0.40 0.00 -0.76 0.00 0.00 57.45 53.51 1pk7 n PHE 120 Cb 1.04 -0.93 -0.08 0.00 0.35 0.00 0.00 39.48 39.86 1pk7 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pk7 n LYS 121 N -0.63 -0.89 -1.91 -4.13 5.02 -1.19 0.42 118.16 114.85 1pk7 n LYS 121 Ca 0.52 0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 56.78 1pk7 n LYS 121 Cb 0.49 -4.49 -0.04 0.00 -0.02 0.00 0.00 35.03 30.98 1pk7 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pk7 n ASP 122 N -2.57 -4.97 -4.56 4.39 4.64 0.27 -5.00 116.55 108.75 1pk7 n ASP 122 Ca 0.02 0.19 -0.20 0.00 -1.38 0.00 0.00 54.79 53.42 1pk7 n ASP 122 Cb 0.51 -4.01 0.03 0.00 -1.04 0.00 0.00 41.12 36.61 1pk7 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pk7 n HIS 123 N -3.29 -1.49 -3.05 -0.67 8.25 0.17 -5.02 115.22 110.12 1pk7 n HIS 123 Ca -0.18 -1.98 -0.43 0.00 -0.26 0.00 0.00 57.72 54.87 1pk7 n HIS 123 Cb 0.60 -0.44 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1pk7 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pk7 s ASP 124 N -4.02 6.35 -0.27 0.41 -0.00 -1.26 -4.60 116.67 113.27 1pk7 s ASP 124 Ca 0.40 -0.30 -0.15 0.00 -0.00 0.00 0.00 52.55 52.50 1pk7 s ASP 124 Cb -0.03 -2.35 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 1pk7 s ASP 124 CO 0.26 -0.86 0.38 0.12 -0.00 0.00 0.00 175.17 175.07 1pk7 s PHE 125 N 3.03 3.25 -0.76 4.23 5.36 -1.26 -5.02 117.98 126.81 1pk7 s PHE 125 Ca 0.25 0.41 -0.26 0.00 -0.96 0.00 0.00 56.93 56.37 1pk7 s PHE 125 Cb -0.14 -2.59 0.02 0.00 -0.34 0.00 0.00 43.02 39.97 1pk7 s PHE 125 CO 0.20 -0.24 1.49 0.00 -1.46 0.00 0.00 175.22 175.21 1pk7 s ALA 126 N 2.09 2.53 -0.68 11.12 0.00 -1.26 -4.93 121.76 130.63 1pk7 s ALA 126 Ca 0.15 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.52 1pk7 s ALA 126 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1pk7 s ALA 126 CO 0.10 -3.58 1.57 0.00 0.00 0.00 0.00 175.76 173.85 1pk7 s ALA 127 N 6.73 2.45 0.22 0.00 0.00 -1.26 -4.97 121.76 124.94 1pk7 s ALA 127 Ca 0.47 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1pk7 s ALA 127 Cb -0.08 -4.28 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 1pk7 s ALA 127 CO 0.12 -3.60 -0.08 0.96 0.00 0.00 0.00 175.76 173.15 1pk7 s ILE 128 N 7.43 3.17 0.60 0.00 -4.36 -1.26 -1.63 121.20 125.15 1pk7 s ILE 128 Ca 0.51 -1.82 -0.06 0.00 -0.26 0.00 0.00 60.65 59.02 1pk7 s ILE 128 Cb -0.10 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1pk7 s ILE 128 CO 0.18 -0.22 0.91 0.00 0.24 0.00 0.00 174.94 176.05 1pk7 s ALA 129 N -1.97 3.29 0.05 2.27 0.00 0.25 -4.91 121.76 120.74 1pk7 s ALA 129 Ca 0.27 -0.69 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 1pk7 s ALA 129 Cb -0.08 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 1pk7 s ALA 129 CO 0.16 -0.82 1.42 0.34 0.00 0.00 0.00 175.76 176.86 1pk7 s ASP 130 N -4.31 6.82 0.14 0.00 -1.08 -0.72 -4.94 116.67 112.58 1pk7 s ASP 130 Ca 0.54 2.22 -0.18 0.00 -0.52 0.00 0.00 52.55 54.61 1pk7 s ASP 130 Cb -0.11 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1pk7 s ASP 130 CO 0.45 -0.71 1.71 0.15 0.52 0.00 0.00 175.17 177.30 1pk7 h PHE 131 N 7.51 -0.02 -0.96 -5.34 3.57 -1.95 -1.90 116.94 117.84 1pk7 h PHE 131 Ca -0.40 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.14 1pk7 h PHE 131 Cb 1.19 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 1pk7 h PHE 131 CO 0.72 -0.05 0.63 -0.44 -2.23 0.00 0.00 178.31 176.94 1pk7 h ASP 132 N 0.08 1.08 -0.35 0.41 3.32 -1.99 -0.99 116.42 117.98 1pk7 h ASP 132 Ca 0.13 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1pk7 h ASP 132 Cb 0.17 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1pk7 h ASP 132 CO -0.22 0.77 -0.05 0.24 -1.72 0.00 0.00 179.24 178.26 1pk7 h MET 133 N 1.27 0.75 -0.60 3.56 2.86 -1.88 0.43 114.93 121.32 1pk7 h MET 133 Ca 0.36 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1pk7 h MET 133 Cb -0.10 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1pk7 h MET 133 CO -0.09 0.79 0.15 0.28 1.06 0.00 0.00 176.91 179.11 1pk7 h VAL 134 N 0.69 1.24 -0.10 -2.22 2.07 -0.53 -1.97 116.25 115.44 1pk7 h VAL 134 Ca 0.13 -0.86 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 1pk7 h VAL 134 Cb 0.50 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1pk7 h VAL 134 CO 0.03 0.32 -0.56 -0.09 0.02 0.00 0.00 177.57 177.29 1pk7 h ARG 135 N 0.90 0.55 -0.77 1.57 2.43 -0.41 -2.38 114.38 116.25 1pk7 h ARG 135 Ca 0.19 -0.46 0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1pk7 h ARG 135 Cb 0.31 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1pk7 h ARG 135 CO -0.00 1.09 0.43 -0.91 -1.51 0.00 0.00 179.97 179.07 1pk7 h ASN 136 N 0.15 0.62 -0.37 -3.80 2.35 0.03 -1.64 115.58 112.92 1pk7 h ASN 136 Ca -0.04 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1pk7 h ASN 136 Cb 1.21 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1pk7 h ASN 136 CO 0.11 0.37 -0.12 0.00 -1.65 0.00 0.00 177.43 176.15 1pk7 h ALA 137 N 1.42 0.51 -0.36 -0.83 0.00 -1.38 0.04 119.26 118.65 1pk7 h ALA 137 Ca 0.36 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pk7 h ALA 137 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pk7 h ALA 137 CO -0.23 0.40 0.24 0.28 0.00 0.00 0.00 179.25 179.94 1pk7 h VAL 138 N 0.53 1.06 0.03 0.00 2.07 -0.87 -0.07 116.25 119.01 1pk7 h VAL 138 Ca 0.09 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1pk7 h VAL 138 Cb 0.64 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1pk7 h VAL 138 CO 0.04 0.08 -0.31 0.44 0.02 0.00 0.00 177.57 177.85 1pk7 h ASP 139 N 0.45 0.21 -0.82 0.57 3.45 -1.14 -2.68 116.42 116.46 1pk7 h ASP 139 Ca 0.14 -0.88 0.18 0.00 0.43 0.00 0.00 57.03 56.89 1pk7 h ASP 139 Cb 0.01 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 38.66 1pk7 h ASP 139 CO -0.03 1.08 0.55 0.00 -1.57 0.00 0.00 179.24 179.26 1pk7 h ALA 140 N 0.14 2.20 -0.15 3.45 0.00 -0.59 0.21 119.26 124.53 1pk7 h ALA 140 Ca -0.05 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1pk7 h ALA 140 Cb 1.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1pk7 h ALA 140 CO 0.06 -0.44 -0.66 0.00 0.00 0.00 0.00 179.25 178.21 1pk7 h ALA 141 N 1.63 0.28 -0.35 0.00 0.00 -1.03 -2.22 119.26 117.56 1pk7 h ALA 141 Ca 0.41 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1pk7 h ALA 141 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pk7 h ALA 141 CO -0.13 0.57 -0.12 -0.22 0.00 0.00 0.00 179.25 179.35 1pk7 h LYS 142 N 0.40 0.61 -0.24 0.00 3.64 -0.68 0.21 116.57 120.51 1pk7 h LYS 142 Ca -0.04 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.00 1pk7 h LYS 142 Cb 1.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1pk7 h LYS 142 CO 0.14 0.71 -0.47 0.00 -2.27 0.00 0.00 179.45 177.56 1pk7 h ALA 143 N 1.32 0.72 -0.00 5.00 0.00 -1.06 -2.21 119.26 123.02 1pk7 h ALA 143 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pk7 h ALA 143 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pk7 h ALA 143 CO 0.03 0.67 -0.00 1.28 0.00 0.00 0.00 179.25 181.23 1pk7 n LEU 144 N -4.00 0.05 -1.75 0.00 4.77 -0.84 -4.86 117.00 110.37 1pk7 n LEU 144 Ca -0.03 0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1pk7 n LEU 144 Cb 0.57 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1pk7 n LEU 144 CO 0.47 0.01 -0.20 0.61 -1.33 0.00 0.00 177.39 176.94 1pk7 n GLY 145 N 1.03 0.30 3.86 -0.72 0.00 -0.52 -4.99 105.19 104.15 1pk7 n GLY 145 Ca 0.23 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1pk7 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk7 s ILE 146 N -2.79 5.00 0.33 -0.61 1.01 0.64 -5.01 121.20 119.77 1pk7 s ILE 146 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 1pk7 s ILE 146 Cb 0.00 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 1pk7 s ILE 146 CO 0.00 0.10 0.67 -1.81 0.00 0.00 0.00 174.94 173.90 1pk7 s ASP 147 N -2.57 6.59 -0.30 3.58 1.01 -1.26 -4.25 116.67 119.47 1pk7 s ASP 147 Ca 0.33 1.04 -0.07 0.00 0.71 0.00 0.00 52.55 54.56 1pk7 s ASP 147 Cb -0.12 -2.28 0.18 0.00 1.01 0.00 0.00 42.92 41.71 1pk7 s ASP 147 CO 0.25 -0.25 0.83 0.00 0.21 0.00 0.00 175.17 176.22 1pk7 s ALA 148 N -2.11 -2.89 0.17 5.23 0.00 -1.26 -4.33 121.76 116.57 1pk7 s ALA 148 Ca 0.50 1.61 -0.30 0.00 0.00 0.00 0.00 51.96 53.77 1pk7 s ALA 148 Cb -0.11 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1pk7 s ALA 148 CO 0.26 -1.42 1.04 1.03 0.00 0.00 0.00 175.76 176.66 1pk7 s ARG 149 N 2.91 4.66 -0.20 0.00 0.52 -0.41 -4.83 118.95 121.60 1pk7 s ARG 149 Ca 0.10 1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 56.86 1pk7 s ARG 149 Cb -0.12 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1pk7 s ARG 149 CO -0.16 0.17 0.01 0.08 0.02 0.00 0.00 175.30 175.42 1pk7 s VAL 150 N -0.29 4.14 0.00 3.52 1.01 -1.26 0.16 120.40 127.68 1pk7 s VAL 150 Ca 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1pk7 s VAL 150 Cb -0.27 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1pk7 s VAL 150 CO 0.33 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1pk7 n GLY 151 N 4.10 1.15 3.81 4.51 0.00 -0.11 -4.92 105.19 113.72 1pk7 n GLY 151 Ca -0.17 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1pk7 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk7 s ASN 152 N 2.00 6.90 0.43 1.61 0.01 -1.26 -0.01 114.94 124.62 1pk7 s ASN 152 Ca 0.00 1.07 0.07 0.00 -0.71 0.00 0.00 52.86 53.29 1pk7 s ASN 152 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1pk7 s ASN 152 CO 0.00 0.25 0.26 -0.76 -1.51 0.00 0.00 177.10 175.34 1pk7 s LEU 153 N -0.83 3.15 -0.17 0.60 1.43 -0.33 -1.39 118.68 121.13 1pk7 s LEU 153 Ca 0.26 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1pk7 s LEU 153 Cb -0.18 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1pk7 s LEU 153 CO 0.15 -0.63 -0.04 0.12 0.23 0.00 0.00 176.35 176.19 1pk7 s PHE 154 N -2.58 1.61 -0.55 0.29 5.36 -0.56 -0.01 117.98 121.54 1pk7 s PHE 154 Ca 0.42 -1.06 -0.23 0.00 -0.96 0.00 0.00 56.93 55.11 1pk7 s PHE 154 Cb 0.01 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.47 1pk7 s PHE 154 CO 0.24 -0.61 0.86 -1.12 -1.46 0.00 0.00 175.22 173.13 1pk7 s SER 155 N 1.66 6.30 0.13 6.13 0.01 -0.08 -1.80 113.70 126.05 1pk7 s SER 155 Ca 0.00 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 1pk7 s SER 155 Cb -0.16 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1pk7 s SER 155 CO -0.07 -1.16 0.47 0.00 0.41 0.00 0.00 173.24 172.89 1pk7 s ALA 156 N 3.61 3.66 -0.04 1.44 0.00 -0.61 -3.07 121.76 126.75 1pk7 s ALA 156 Ca 0.26 -0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.03 1pk7 s ALA 156 Cb -0.15 -2.37 -0.23 0.00 0.00 0.00 0.00 23.12 20.38 1pk7 s ALA 156 CO 0.17 0.53 0.69 -0.44 0.00 0.00 0.00 175.76 176.71 1pk7 h ASP 157 N 3.40 0.03 -3.61 0.00 3.32 -1.89 -3.42 116.42 114.25 1pk7 h ASP 157 Ca -0.48 -0.06 -0.69 0.00 0.02 0.00 0.00 57.03 55.82 1pk7 h ASP 157 Cb 1.19 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 1pk7 h ASP 157 CO 0.67 1.06 -0.62 -0.76 -1.72 0.00 0.00 179.24 177.87 1pk7 s LEU 158 N -6.20 4.76 0.26 1.55 1.43 -1.26 -4.95 118.68 114.26 1pk7 s LEU 158 Ca -0.05 -1.82 -0.02 0.00 -1.03 0.00 0.00 54.13 51.21 1pk7 s LEU 158 Cb 0.08 -1.76 0.47 0.00 0.03 0.00 0.00 46.19 45.01 1pk7 s LEU 158 CO 0.82 -0.43 1.81 0.15 0.23 0.00 0.00 176.35 178.93 1pk7 h PHE 159 N 7.96 0.92 -3.29 0.29 3.04 -1.98 -2.62 116.94 121.26 1pk7 h PHE 159 Ca -0.14 0.03 -0.80 0.00 3.98 0.00 0.00 57.97 61.04 1pk7 h PHE 159 Cb 1.05 -0.28 -0.27 0.00 2.56 0.00 0.00 35.95 39.01 1pk7 h PHE 159 CO 0.56 0.34 0.61 0.66 -2.02 0.00 0.00 178.31 178.46 1pk7 n TYR 160 N -4.74 4.46 -1.87 0.41 4.01 -1.26 -5.03 117.16 113.14 1pk7 n TYR 160 Ca 0.16 -3.53 -0.41 0.00 -0.16 0.00 0.00 57.90 53.95 1pk7 n TYR 160 Cb 0.34 -1.62 -0.02 0.00 -0.31 0.00 0.00 39.34 37.73 1pk7 n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1pk7 s SER 161 N 0.58 6.47 0.00 7.72 0.15 -0.99 -4.92 113.70 122.71 1pk7 s SER 161 Ca 0.32 2.86 0.27 0.00 0.70 0.00 0.00 55.95 60.10 1pk7 s SER 161 Cb -0.06 -2.64 0.85 0.00 -1.71 0.00 0.00 66.02 62.47 1pk7 s SER 161 CO -0.03 -0.82 1.64 -0.81 1.20 0.00 0.00 173.24 174.42 1pk7 n PRO 162 N 1.93 0.33 -3.87 5.44 -0.04 -1.26 -4.51 135.00 133.02 1pk7 n PRO 162 Ca 0.06 -0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 1pk7 n PRO 162 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.23 1pk7 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pk7 s ASP 163 N -2.78 4.50 0.28 3.54 3.68 -1.26 -4.94 116.67 119.70 1pk7 s ASP 163 Ca 0.18 -3.62 0.23 0.00 2.13 0.00 0.00 52.55 51.48 1pk7 s ASP 163 Cb 0.19 -1.55 1.04 0.00 -1.45 0.00 0.00 42.92 41.14 1pk7 s ASP 163 CO 0.58 -0.12 1.70 0.61 0.13 0.00 0.00 175.17 178.07 1pk7 n GLY 164 N 2.28 -1.18 0.26 2.66 0.00 -1.26 -2.27 105.19 105.67 1pk7 n GLY 164 Ca 0.17 0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.48 1pk7 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pk7 h GLU 165 N 0.00 0.00 0.00 1.61 4.22 -1.98 -2.32 114.58 116.11 1pk7 h GLU 165 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pk7 h GLU 165 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1pk7 h GLU 165 CO 0.00 0.00 0.00 -0.12 -2.18 0.00 0.00 179.01 176.71 1pk7 n MET 166 N -2.93 0.16 0.15 1.92 1.56 -0.96 -2.62 117.12 114.40 1pk7 n MET 166 Ca 0.00 0.35 0.02 0.00 -0.27 0.00 0.00 57.70 57.79 1pk7 n MET 166 Cb 0.24 -1.78 0.15 0.00 2.15 0.00 0.00 33.22 33.97 1pk7 n MET 166 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1pk7 h PHE 167 N 0.00 0.00 -0.24 1.12 0.05 -1.63 -0.51 116.94 115.73 1pk7 h PHE 167 Ca 0.00 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.61 1pk7 h PHE 167 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.36 1pk7 h PHE 167 CO 0.00 0.55 -0.54 -0.44 -0.18 0.00 0.00 178.31 177.69 1pk7 h ASP 168 N 0.00 0.89 -0.59 2.17 3.45 -1.68 0.51 116.42 121.18 1pk7 h ASP 168 Ca -0.01 -0.56 -0.05 0.00 0.43 0.00 0.00 57.03 56.85 1pk7 h ASP 168 Cb 1.21 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.70 1pk7 h ASP 168 CO 0.07 1.29 0.17 0.58 -1.57 0.00 0.00 179.24 179.78 1pk7 h VAL 169 N 0.54 1.24 -0.62 -1.35 2.07 -1.57 0.98 116.25 117.54 1pk7 h VAL 169 Ca 0.00 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1pk7 h VAL 169 Cb 1.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1pk7 h VAL 169 CO 0.12 0.31 0.17 0.24 0.02 0.00 0.00 177.57 178.44 1pk7 h MET 170 N 0.83 0.98 0.08 1.57 2.86 -0.97 -2.64 114.93 117.64 1pk7 h MET 170 Ca 0.19 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pk7 h MET 170 Cb 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1pk7 h MET 170 CO -0.00 0.88 -0.04 1.49 1.06 0.00 0.00 176.91 180.29 1pk7 h GLU 171 N 0.90 -0.11 -0.91 1.72 4.81 -0.42 -1.33 114.58 119.23 1pk7 h GLU 171 Ca 0.20 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.70 1pk7 h GLU 171 Cb 0.32 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1pk7 h GLU 171 CO -0.00 0.26 0.71 -0.22 -0.73 0.00 0.00 179.01 179.03 1pk7 h LYS 172 N -0.50 0.00 -0.64 1.92 3.64 0.11 0.42 116.57 121.52 1pk7 h LYS 172 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1pk7 h LYS 172 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1pk7 h LYS 172 CO 0.02 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 1pk7 n TYR 173 N -4.07 1.33 -3.42 1.91 4.01 -1.00 -4.98 117.16 110.94 1pk7 n TYR 173 Ca 0.19 -0.60 -0.20 0.00 -0.16 0.00 0.00 57.90 57.14 1pk7 n TYR 173 Cb 1.03 -0.19 0.07 0.00 -0.31 0.00 0.00 39.34 39.93 1pk7 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk7 n GLY 174 N 1.13 -0.32 3.67 2.72 0.00 0.15 -4.96 105.19 107.59 1pk7 n GLY 174 Ca 0.25 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1pk7 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk7 s ILE 175 N -3.28 3.99 0.13 -0.61 1.09 -0.52 -4.65 121.20 117.35 1pk7 s ILE 175 Ca 0.45 1.28 -0.12 0.00 -1.10 0.00 0.00 60.65 61.16 1pk7 s ILE 175 Cb -0.20 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1pk7 s ILE 175 CO 0.62 -0.06 1.50 -0.07 -0.10 0.00 0.00 174.94 176.83 1pk7 h LEU 176 N 9.09 0.90 -7.18 2.97 3.38 -1.58 -3.41 115.31 119.49 1pk7 h LEU 176 Ca -0.33 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.16 1pk7 h LEU 176 Cb 1.15 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 1pk7 h LEU 176 CO 0.93 1.13 0.06 -0.83 0.09 0.00 0.00 178.44 179.81 1pk7 s GLY 177 N -3.68 -0.45 -0.31 0.83 0.00 -1.26 -4.39 107.32 98.07 1pk7 s GLY 177 Ca -0.12 0.62 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 1pk7 s GLY 177 CO 0.85 0.32 0.11 0.14 0.00 0.00 0.00 173.10 174.52 1pk7 s VAL 178 N -2.48 4.16 0.00 1.40 1.01 0.99 -1.50 120.40 123.98 1pk7 s VAL 178 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1pk7 s VAL 178 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1pk7 s VAL 178 CO -0.02 0.04 0.00 -1.84 0.00 0.00 0.00 175.10 173.28 1pk7 n GLU 179 N 4.90 2.32 -0.78 2.72 -0.00 -0.74 -1.15 120.64 127.91 1pk7 n GLU 179 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.04 1pk7 n GLU 179 Cb 0.48 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.94 1pk7 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pk7 n MET 180 N 0.00 0.12 0.00 3.44 2.81 -1.26 -1.58 117.12 120.65 1pk7 n MET 180 Ca 0.00 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 1pk7 n MET 180 Cb 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1pk7 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pk7 n GLU 181 N 0.03 0.00 -0.20 0.03 4.71 -1.26 -2.17 120.64 121.78 1pk7 n GLU 181 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.13 1pk7 n GLU 181 Cb 0.83 -0.45 -0.05 0.00 -1.01 0.00 0.00 31.44 30.76 1pk7 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pk7 n ALA 182 N -0.55 -0.31 0.13 0.62 0.00 -1.26 -1.03 120.51 118.11 1pk7 n ALA 182 Ca 0.00 0.41 0.15 0.00 0.00 0.00 0.00 53.44 54.00 1pk7 n ALA 182 Cb 0.00 0.11 0.69 0.00 0.00 0.00 0.00 19.45 20.25 1pk7 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk7 h ALA 183 N -0.12 2.21 -0.01 0.00 0.00 -1.83 0.59 119.26 120.09 1pk7 h ALA 183 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1pk7 h ALA 183 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pk7 h ALA 183 CO -0.45 -0.35 -0.23 0.78 0.00 0.00 0.00 179.25 178.99 1pk7 h GLY 184 N 0.00 0.20 0.99 0.00 0.00 -1.45 -1.99 103.07 100.82 1pk7 h GLY 184 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1pk7 h GLY 184 CO -0.00 0.29 0.23 -2.22 0.00 0.00 0.00 176.54 174.84 1pk7 h ILE 185 N -0.46 1.11 -0.07 2.60 2.04 -0.37 -0.97 117.51 121.39 1pk7 h ILE 185 Ca -0.03 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1pk7 h ILE 185 Cb 0.96 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1pk7 h ILE 185 CO 0.05 0.11 -0.18 1.88 0.00 0.00 0.00 178.15 180.01 1pk7 h TYR 186 N 0.50 0.12 -0.00 1.37 0.99 -1.00 -0.50 116.97 118.45 1pk7 h TYR 186 Ca 0.14 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1pk7 h TYR 186 Cb -0.02 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1pk7 h TYR 186 CO -0.04 0.30 -0.00 0.78 -0.00 0.00 0.00 178.16 179.20 1pk7 h GLY 187 N 0.71 0.00 0.99 3.88 0.00 -0.53 -2.87 103.07 105.25 1pk7 h GLY 187 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1pk7 h GLY 187 CO 0.03 0.00 0.25 -2.08 0.00 0.00 0.00 176.54 174.74 1pk7 h VAL 188 N -0.34 1.22 -0.59 4.60 2.07 -0.95 -1.72 116.25 120.54 1pk7 h VAL 188 Ca 0.00 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1pk7 h VAL 188 Cb 0.34 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1pk7 h VAL 188 CO 0.00 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.99 1pk7 h ALA 189 N 1.09 0.70 -0.50 1.67 0.00 -1.11 -0.57 119.26 120.55 1pk7 h ALA 189 Ca 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1pk7 h ALA 189 Cb 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pk7 h ALA 189 CO -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 179.25 178.93 1pk7 h ALA 190 N 1.45 0.68 -0.33 0.00 0.00 -1.26 0.26 119.26 120.06 1pk7 h ALA 190 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pk7 h ALA 190 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1pk7 h ALA 190 CO -0.37 0.51 0.21 1.49 0.00 0.00 0.00 179.25 181.09 1pk7 h GLU 191 N 0.77 0.44 -0.60 0.00 4.81 -0.35 -2.94 114.58 116.71 1pk7 h GLU 191 Ca 0.14 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1pk7 h GLU 191 Cb 0.55 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 1pk7 h GLU 191 CO 0.03 0.32 0.14 1.19 -0.73 0.00 0.00 179.01 179.96 1pk7 n PHE 192 N -4.84 2.03 -3.13 0.92 3.01 -0.32 -5.00 117.46 110.12 1pk7 n PHE 192 Ca -0.01 -1.08 -0.15 0.00 1.01 0.00 0.00 57.45 57.22 1pk7 n PHE 192 Cb 0.04 -0.58 0.02 0.00 -0.01 0.00 0.00 39.48 38.95 1pk7 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk7 n GLY 193 N -0.13 -1.05 3.05 1.37 0.00 -0.41 -5.01 105.19 103.00 1pk7 n GLY 193 Ca 0.34 0.80 -0.12 0.00 0.00 0.00 0.00 46.02 47.04 1pk7 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk7 n ALA 194 N 0.29 -0.48 -2.73 4.61 0.00 0.78 -5.00 120.51 117.97 1pk7 n ALA 194 Ca 0.00 -1.40 -0.27 0.00 0.00 0.00 0.00 53.44 51.76 1pk7 n ALA 194 Cb 0.46 1.13 -0.16 0.00 0.00 0.00 0.00 19.45 20.88 1pk7 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pk7 s LYS 195 N -2.62 1.89 0.04 0.00 1.02 -0.74 -4.54 119.74 114.78 1pk7 s LYS 195 Ca 0.24 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 1pk7 s LYS 195 Cb -0.01 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1pk7 s LYS 195 CO 0.17 0.33 0.03 0.00 -0.92 0.00 0.00 175.35 174.96 1pk7 s ALA 196 N -0.15 0.17 -0.05 5.17 0.00 -1.26 -1.68 121.76 123.95 1pk7 s ALA 196 Ca -0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1pk7 s ALA 196 Cb -0.11 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1pk7 s ALA 196 CO 0.02 -0.32 0.31 -1.17 0.00 0.00 0.00 175.76 174.60 1pk7 s LEU 197 N -2.33 0.83 -0.09 0.00 2.96 -0.76 -1.76 118.68 117.53 1pk7 s LEU 197 Ca -0.02 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1pk7 s LEU 197 Cb 0.01 1.21 0.00 0.00 0.50 0.00 0.00 46.19 47.91 1pk7 s LEU 197 CO -0.06 -0.33 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.53 1pk7 s THR 198 N -0.83 1.87 -0.05 3.68 2.01 -1.26 -1.69 115.64 119.38 1pk7 s THR 198 Ca -0.09 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.06 1pk7 s THR 198 Cb -0.04 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1pk7 s THR 198 CO 0.03 0.52 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 1pk7 s ILE 199 N 0.42 1.80 0.04 1.82 1.01 -0.59 -1.52 121.20 124.19 1pk7 s ILE 199 Ca -0.18 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1pk7 s ILE 199 Cb -0.18 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1pk7 s ILE 199 CO 0.08 0.51 -0.07 0.00 0.00 0.00 0.00 174.94 175.46 1pk7 s THR 201 N -1.61 3.50 -0.64 0.00 2.01 -0.39 -0.73 115.64 117.78 1pk7 s THR 201 Ca -0.09 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1pk7 s THR 201 Cb -0.09 -2.66 -0.11 0.00 0.01 0.00 0.00 72.50 69.65 1pk7 s THR 201 CO -0.00 0.32 2.44 0.52 -0.69 0.00 0.00 174.62 177.20 1pk7 n VAL 202 N 4.80 -0.05 0.23 3.82 0.31 0.03 -2.48 118.33 124.99 1pk7 n VAL 202 Ca -0.17 -0.63 0.12 0.00 -0.01 0.00 0.00 64.34 63.64 1pk7 n VAL 202 Cb 0.50 -2.25 0.15 0.00 -0.91 0.00 0.00 33.84 31.33 1pk7 n VAL 202 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1pk7 h SER 203 N 16.83 0.00 -5.06 4.52 4.64 -1.33 -0.32 113.55 132.83 1pk7 h SER 203 Ca -0.15 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1pk7 h SER 203 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1pk7 h SER 203 CO 1.17 0.00 0.29 1.51 -0.87 0.00 0.00 176.83 178.93 1pk7 s ASP 204 N -5.94 -0.20 -0.18 4.97 -4.77 -1.16 -2.17 116.67 107.22 1pk7 s ASP 204 Ca 0.06 -0.66 0.01 0.00 -3.30 0.00 0.00 52.55 48.66 1pk7 s ASP 204 Cb 0.06 0.70 0.03 0.00 -1.09 0.00 0.00 42.92 42.62 1pk7 s ASP 204 CO 0.69 -1.32 -0.18 -2.28 0.70 0.00 0.00 175.17 172.78 1pk7 s HIS 205 N -3.52 2.68 0.43 2.11 2.46 -0.88 -0.40 115.29 118.16 1pk7 s HIS 205 Ca 0.12 -1.62 0.09 0.00 0.47 0.00 0.00 55.06 54.12 1pk7 s HIS 205 Cb -0.05 -1.84 0.93 0.00 -0.13 0.00 0.00 32.58 31.49 1pk7 s HIS 205 CO 0.07 -0.78 2.07 0.82 -2.47 0.00 0.00 174.74 174.44 1pk7 h ILE 206 N 6.06 1.09 0.00 0.89 2.04 -1.67 0.73 117.51 126.64 1pk7 h ILE 206 Ca -0.41 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1pk7 h ILE 206 Cb 1.13 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1pk7 h ILE 206 CO 0.59 0.09 -0.03 0.03 0.00 0.00 0.00 178.15 178.84 1pk7 h ARG 207 N 0.42 0.00 0.00 2.37 2.47 -1.90 -3.35 114.38 114.39 1pk7 h ARG 207 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1pk7 h ARG 207 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1pk7 h ARG 207 CO -0.02 0.45 0.00 0.25 0.56 0.00 0.00 179.97 181.21 1pk7 n THR 208 N -4.70 0.34 -0.77 2.04 -2.24 -1.21 -4.89 114.28 102.85 1pk7 n THR 208 Ca -0.05 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1pk7 n THR 208 Cb 0.22 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1pk7 n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pk7 n HIS 209 N -1.44 0.00 -1.88 4.78 8.25 0.25 -4.90 115.22 120.28 1pk7 n HIS 209 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 1pk7 n HIS 209 Cb 0.25 -1.74 -0.03 0.00 1.12 0.00 0.00 29.99 29.59 1pk7 n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1pk7 s GLU 210 N -1.54 4.17 -0.06 -0.41 2.12 -1.22 -4.80 118.70 116.96 1pk7 s GLU 210 Ca 0.00 2.37 -0.03 0.00 0.36 0.00 0.00 54.97 57.67 1pk7 s GLU 210 Cb 0.00 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1pk7 s GLU 210 CO 0.00 -0.84 0.08 -0.65 -0.54 0.00 0.00 175.26 173.32 1pk7 s GLN 211 N 3.62 3.17 0.69 4.30 -1.52 -1.26 -2.07 119.66 126.58 1pk7 s GLN 211 Ca 0.78 -0.36 -0.17 0.00 -1.95 0.00 0.00 55.36 53.65 1pk7 s GLN 211 Cb -0.38 -2.94 -0.15 0.00 -0.22 0.00 0.00 33.01 29.32 1pk7 s GLN 211 CO 0.34 0.70 -0.39 0.25 -0.25 0.00 0.00 175.29 175.93 1pk7 n THR 212 N 1.62 0.00 -3.51 -0.19 -2.24 -0.92 -5.01 114.28 104.02 1pk7 n THR 212 Ca -0.16 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 1pk7 n THR 212 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1pk7 n THR 212 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pk7 n THR 213 N -1.86 0.00 -1.21 4.28 5.66 -1.26 -5.10 114.28 114.79 1pk7 n THR 213 Ca 0.04 -0.56 0.15 0.00 -3.05 0.00 0.00 64.05 60.63 1pk7 n THR 213 Cb 0.50 0.58 -0.04 0.00 -1.55 0.00 0.00 70.33 69.82 1pk7 n THR 213 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pk7 n ALA 214 N -1.54 -3.31 0.89 1.79 0.00 -1.26 -3.74 120.51 113.34 1pk7 n ALA 214 Ca -0.10 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.72 1pk7 n ALA 214 Cb 0.36 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.81 1pk7 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk7 n ALA 215 N -1.85 2.69 1.52 0.00 0.00 -1.26 -3.32 120.51 118.28 1pk7 n ALA 215 Ca 0.01 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1pk7 n ALA 215 Cb 0.51 -1.01 0.54 0.00 0.00 0.00 0.00 19.45 19.48 1pk7 n ALA 215 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pk7 n GLU 216 N 0.14 1.54 0.00 0.00 1.02 -1.25 -3.86 120.64 118.23 1pk7 n GLU 216 Ca 0.07 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1pk7 n GLU 216 Cb 0.35 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1pk7 n GLU 216 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1pk7 n ARG 217 N -0.02 0.00 0.00 3.49 0.63 -1.21 -3.65 116.66 115.90 1pk7 n ARG 217 Ca 0.18 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1pk7 n ARG 217 Cb 0.29 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1pk7 n ARG 217 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1pk7 n GLN 218 N -1.65 0.00 -0.27 -0.14 7.27 -1.26 -2.30 117.38 119.04 1pk7 n GLN 218 Ca 0.00 0.66 0.03 0.00 0.07 0.00 0.00 57.00 57.75 1pk7 n GLN 218 Cb 0.00 -1.27 0.08 0.00 2.41 0.00 0.00 30.24 31.46 1pk7 n GLN 218 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1pk7 n THR 219 N -1.91 -0.33 -0.31 1.69 -1.04 -1.25 0.18 114.28 111.32 1pk7 n THR 219 Ca 0.00 1.67 -0.00 0.00 -2.04 0.00 0.00 64.05 63.68 1pk7 n THR 219 Cb 0.00 -2.28 0.12 0.00 -1.82 0.00 0.00 70.33 66.35 1pk7 n THR 219 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1pk7 h THR 220 N 0.00 1.09 0.00 12.58 2.02 -1.58 0.55 112.91 127.57 1pk7 h THR 220 Ca 0.32 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1pk7 h THR 220 Cb 0.50 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1pk7 h THR 220 CO -0.74 0.19 0.00 0.49 0.37 0.00 0.00 175.52 175.83 1pk7 n PHE 221 N -4.58 0.00 0.06 3.16 3.01 0.49 -1.86 117.46 117.74 1pk7 n PHE 221 Ca 0.11 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.61 1pk7 n PHE 221 Cb 0.13 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.26 1pk7 n PHE 221 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1pk7 h ASN 222 N 0.00 0.00 0.17 4.37 2.35 0.16 -3.21 115.58 119.42 1pk7 h ASN 222 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1pk7 h ASN 222 Cb 0.18 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.56 1pk7 h ASN 222 CO 0.00 0.43 -1.05 0.44 -1.65 0.00 0.00 177.43 175.60 1pk7 h ASP 223 N 0.00 0.75 -0.58 5.81 3.32 -0.90 -2.00 116.42 122.82 1pk7 h ASP 223 Ca -0.11 -0.62 0.01 0.00 0.02 0.00 0.00 57.03 56.34 1pk7 h ASP 223 Cb 1.42 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1pk7 h ASP 223 CO 0.04 1.43 0.38 -0.03 -1.72 0.00 0.00 179.24 179.33 1pk7 h MET 224 N 0.30 0.74 -0.48 3.56 4.05 -1.65 0.10 114.93 121.55 1pk7 h MET 224 Ca -0.12 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.13 1pk7 h MET 224 Cb 1.70 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1pk7 h MET 224 CO 0.20 0.49 -0.20 0.82 0.23 0.00 0.00 176.91 178.45 1pk7 h ILE 225 N 0.76 1.27 0.11 1.77 1.08 -1.57 -2.06 117.51 118.87 1pk7 h ILE 225 Ca 0.22 -1.36 0.01 0.00 -0.39 0.00 0.00 64.86 63.34 1pk7 h ILE 225 Cb -0.05 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1pk7 h ILE 225 CO -0.06 0.47 -0.17 0.11 -0.69 0.00 0.00 178.15 177.80 1pk7 h LYS 226 N 0.85 -0.33 -0.66 2.37 1.79 -0.65 -0.38 116.57 119.56 1pk7 h LYS 226 Ca 0.11 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1pk7 h LYS 226 Cb 0.77 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 1pk7 h LYS 226 CO 0.06 -0.22 0.42 0.82 -1.08 0.00 0.00 179.45 179.45 1pk7 h ILE 227 N -0.34 1.18 0.52 1.86 2.04 -0.77 -0.54 117.51 121.45 1pk7 h ILE 227 Ca 0.02 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1pk7 h ILE 227 Cb 0.35 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1pk7 h ILE 227 CO -0.08 0.18 -0.25 0.00 0.00 0.00 0.00 178.15 178.00 1pk7 h ALA 228 N 1.22 -0.69 -0.77 1.87 0.00 -1.15 0.36 119.26 120.10 1pk7 h ALA 228 Ca 0.24 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1pk7 h ALA 228 Cb -0.06 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1pk7 h ALA 228 CO -0.05 -0.85 0.45 -0.07 0.00 0.00 0.00 179.25 178.73 1pk7 h LEU 229 N -0.77 0.68 -0.48 0.00 3.38 -0.98 -2.23 115.31 114.92 1pk7 h LEU 229 Ca -0.07 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1pk7 h LEU 229 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1pk7 h LEU 229 CO 0.12 0.43 -0.46 -0.33 0.09 0.00 0.00 178.44 178.28 1pk7 h GLU 230 N 0.81 0.74 0.00 1.13 4.39 -0.99 -2.97 114.58 117.69 1pk7 h GLU 230 Ca 0.35 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pk7 h GLU 230 Cb 0.22 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1pk7 h GLU 230 CO -0.19 1.04 -0.06 0.66 -1.16 0.00 0.00 179.01 179.30 1pk7 h SER 231 N 0.59 0.00 -0.13 1.42 4.64 0.29 -1.99 113.55 118.37 1pk7 h SER 231 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1pk7 h SER 231 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1pk7 h SER 231 CO 0.10 0.06 -0.43 0.58 -0.87 0.00 0.00 176.83 176.27 1pk7 h VAL 232 N 0.00 1.36 -0.32 0.95 2.07 -1.29 -2.24 116.25 116.79 1pk7 h VAL 232 Ca -0.00 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1pk7 h VAL 232 Cb 0.20 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1pk7 h VAL 232 CO 0.01 0.52 0.18 -0.07 0.02 0.00 0.00 177.57 178.23 1pk7 h LEU 233 N 0.14 0.39 -0.79 2.57 3.38 -1.35 -0.10 115.31 119.54 1pk7 h LEU 233 Ca -0.02 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1pk7 h LEU 233 Cb 1.05 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1pk7 h LEU 233 CO 0.09 0.34 0.45 -0.07 0.09 0.00 0.00 178.44 179.35 1pk7 h LEU 234 N 0.40 0.66 -1.97 1.67 4.07 -1.45 0.23 115.31 118.92 1pk7 h LEU 234 Ca 0.11 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1pk7 h LEU 234 Cb 0.03 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1pk7 h LEU 234 CO -0.02 0.39 -0.09 1.23 -1.08 0.00 0.00 178.44 178.88 1pk7 h GLY 235 N 0.79 0.00 1.53 0.83 0.00 -0.68 -2.42 103.07 103.12 1pk7 h GLY 235 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.44 1pk7 h GLY 235 CO -0.23 0.00 -1.32 -0.55 0.00 0.00 0.00 176.54 174.44 1pk7 h ASP 236 N 0.00 0.23 0.00 0.19 3.32 0.12 -3.51 116.42 116.77 1pk7 h ASP 236 Ca -0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1pk7 h ASP 236 Cb 0.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1pk7 h ASP 236 CO 0.01 1.23 0.00 0.29 -1.72 0.00 0.00 179.24 179.06