#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw7 s THR 2 N 0.00 1.69 0.54 0.00 -4.23 0.32 -4.96 115.64 109.00 1pw7 s THR 2 Ca 0.00 -1.92 0.28 0.00 -1.18 0.00 0.00 61.69 58.88 1pw7 s THR 2 Cb 0.00 -2.61 0.44 0.00 1.34 0.00 0.00 72.50 71.67 1pw7 s THR 2 CO 0.00 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.38 1pw7 h PRO 3 N 1.48 0.00 0.00 3.99 0.11 -2.01 -3.02 132.00 132.55 1pw7 h PRO 3 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pw7 h PRO 3 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pw7 h PRO 3 CO 0.75 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.26 1pw7 n HIS 4 N -4.31 0.00 -3.85 0.65 8.25 -1.26 -4.97 115.22 109.73 1pw7 n HIS 4 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.32 1pw7 n HIS 4 Cb 0.77 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.72 1pw7 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pw7 s ILE 5 N -0.19 0.91 -1.09 1.59 1.01 -1.14 -4.67 121.20 117.62 1pw7 s ILE 5 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 1pw7 s ILE 5 Cb 0.00 -1.13 0.20 0.00 0.01 0.00 0.00 42.46 41.54 1pw7 s ILE 5 CO 0.00 0.11 1.21 0.21 0.00 0.00 0.00 174.94 176.46 1pw7 s ASN 6 N 1.72 7.04 0.37 3.58 2.47 -1.26 -0.52 114.94 128.34 1pw7 s ASN 6 Ca 0.01 -2.99 -0.09 0.00 0.42 0.00 0.00 52.86 50.21 1pw7 s ASN 6 Cb -0.15 -2.32 0.03 0.00 -1.45 0.00 0.00 41.25 37.36 1pw7 s ASN 6 CO -0.07 -0.64 0.65 0.00 -3.72 0.00 0.00 177.10 173.32 1pw7 s ALA 7 N 0.72 -0.00 0.13 1.71 0.00 -1.26 -4.68 121.76 118.38 1pw7 s ALA 7 Ca 0.34 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1pw7 s ALA 7 Cb -0.06 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1pw7 s ALA 7 CO -0.05 -0.89 -0.14 -1.21 0.00 0.00 0.00 175.76 173.47 1pw7 s GLU 8 N -2.60 1.07 0.11 0.00 0.41 -1.26 -1.59 118.70 114.83 1pw7 s GLU 8 Ca 0.23 -1.30 -0.35 0.00 -0.41 0.00 0.00 54.97 53.14 1pw7 s GLU 8 Cb -0.03 -0.92 -0.17 0.00 -1.78 0.00 0.00 34.13 31.24 1pw7 s GLU 8 CO 0.16 0.17 1.22 -0.12 -0.49 0.00 0.00 175.26 176.20 1pw7 n MET 9 N 0.38 1.00 0.00 1.61 0.00 -1.26 -1.28 117.12 117.56 1pw7 n MET 9 Ca -0.14 0.36 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 1pw7 n MET 9 Cb 0.58 -1.92 0.00 0.00 0.00 0.00 0.00 33.22 31.88 1pw7 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pw7 n GLY 10 N 2.21 2.37 0.23 -5.12 0.00 -1.26 -4.92 105.19 98.69 1pw7 n GLY 10 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1pw7 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pw7 h ASP 11 N 0.50 0.00 -3.28 1.61 5.19 -1.56 -3.43 116.42 115.44 1pw7 h ASP 11 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 1pw7 h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1pw7 h ASP 11 CO 0.00 0.21 -0.64 -0.36 -3.12 0.00 0.00 179.24 175.33 1pw7 s PHE 12 N -4.39 3.06 0.86 4.55 0.40 -1.26 -4.73 117.98 116.47 1pw7 s PHE 12 Ca -0.03 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.19 1pw7 s PHE 12 Cb 0.15 -1.56 0.11 0.00 0.51 0.00 0.00 43.02 42.22 1pw7 s PHE 12 CO 0.67 0.50 1.15 0.00 0.70 0.00 0.00 175.22 178.23 1pw7 s ALA 13 N -1.34 2.16 -2.00 5.36 0.00 -1.26 -4.92 121.76 119.75 1pw7 s ALA 13 Ca 0.27 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 51.85 1pw7 s ALA 13 Cb -0.12 -3.02 0.88 0.00 0.00 0.00 0.00 23.12 20.86 1pw7 s ALA 13 CO 0.20 -1.98 1.54 -0.40 0.00 0.00 0.00 175.76 175.11 1pw7 n ASP 14 N -3.55 0.00 -3.80 0.00 3.85 -1.26 -4.60 116.55 107.19 1pw7 n ASP 14 Ca 0.07 -1.46 -0.19 0.00 -0.71 0.00 0.00 54.79 52.50 1pw7 n ASP 14 Cb 0.59 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.20 1pw7 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pw7 s VAL 15 N -2.00 0.20 -0.07 2.12 1.01 -1.26 -1.01 120.40 119.38 1pw7 s VAL 15 Ca 0.22 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1pw7 s VAL 15 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1pw7 s VAL 15 CO 0.17 0.17 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 1pw7 s VAL 16 N 1.33 1.62 -0.04 2.92 1.01 -0.70 -2.85 120.40 123.69 1pw7 s VAL 16 Ca -0.05 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1pw7 s VAL 16 Cb -0.13 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1pw7 s VAL 16 CO -0.02 0.46 0.41 -0.76 0.00 0.00 0.00 175.10 175.18 1pw7 s LEU 17 N 0.35 4.41 -0.25 3.92 1.02 -0.06 -1.19 118.68 126.89 1pw7 s LEU 17 Ca -0.13 0.88 -0.02 0.00 0.02 0.00 0.00 54.13 54.88 1pw7 s LEU 17 Cb -0.16 -2.58 0.08 0.00 0.02 0.00 0.00 46.19 43.55 1pw7 s LEU 17 CO 0.05 0.24 0.06 -0.04 0.02 0.00 0.00 176.35 176.68 1pw7 s MET 18 N -0.58 0.68 0.67 1.70 -1.94 0.13 -1.39 119.30 118.56 1pw7 s MET 18 Ca 0.23 -0.68 -0.06 0.00 -1.71 0.00 0.00 55.69 53.47 1pw7 s MET 18 Cb -0.16 -2.00 0.05 0.00 2.01 0.00 0.00 34.83 34.73 1pw7 s MET 18 CO 0.12 -0.79 0.97 -1.25 -0.01 0.00 0.00 175.02 174.06 1pw7 s PRO 19 N 1.78 2.32 0.07 2.03 0.04 -1.24 -2.08 135.00 137.91 1pw7 s PRO 19 Ca 0.03 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 60.80 1pw7 s PRO 19 Cb -0.17 -2.22 -0.25 0.00 0.04 0.00 0.00 34.50 31.90 1pw7 s PRO 19 CO -0.17 -1.12 1.10 0.78 0.04 0.00 0.00 177.00 177.63 1pw7 h GLY 20 N -0.47 0.18 -6.20 0.56 0.00 -1.85 -1.81 103.07 93.48 1pw7 h GLY 20 Ca -0.44 -0.46 -0.60 0.00 0.00 0.00 0.00 47.33 45.83 1pw7 h GLY 20 CO 0.59 0.40 0.11 -0.35 0.00 0.00 0.00 176.54 177.29 1pw7 s ASP 21 N -6.89 6.62 0.33 0.19 2.15 -1.26 -1.80 116.67 116.01 1pw7 s ASP 21 Ca -0.03 0.76 0.08 0.00 0.43 0.00 0.00 52.55 53.78 1pw7 s ASP 21 Cb 0.08 -2.33 0.77 0.00 -0.30 0.00 0.00 42.92 41.14 1pw7 s ASP 21 CO 0.85 -0.29 1.82 -0.65 -0.17 0.00 0.00 175.17 176.73 1pw7 h PRO 22 N 7.63 0.72 0.00 4.34 0.11 -1.88 0.38 132.00 143.31 1pw7 h PRO 22 Ca -0.30 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1pw7 h PRO 22 Cb 1.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1pw7 h PRO 22 CO 0.77 0.48 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.76 1pw7 h LEU 23 N 0.74 0.00 -0.41 2.35 3.38 -1.93 -2.06 115.31 117.39 1pw7 h LEU 23 Ca 0.51 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.34 1pw7 h LEU 23 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1pw7 h LEU 23 CO -0.28 0.20 -0.70 0.03 0.09 0.00 0.00 178.44 177.78 1pw7 h ARG 24 N 0.00 0.00 -0.58 1.13 2.47 -1.33 -1.85 114.38 114.22 1pw7 h ARG 24 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1pw7 h ARG 24 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1pw7 h ARG 24 CO 0.03 0.70 -0.06 0.00 0.56 0.00 0.00 179.97 181.20 1pw7 h ALA 25 N 1.30 0.80 -0.43 0.04 0.00 -1.12 -0.82 119.26 119.02 1pw7 h ALA 25 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1pw7 h ALA 25 Cb 1.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pw7 h ALA 25 CO 0.09 0.68 -0.06 -0.22 0.00 0.00 0.00 179.25 179.74 1pw7 h LYS 26 N 0.95 0.80 -0.80 0.00 1.63 -1.39 -1.72 116.57 116.04 1pw7 h LYS 26 Ca 0.16 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1pw7 h LYS 26 Cb 0.62 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 1pw7 h LYS 26 CO 0.04 0.90 0.51 -0.92 -3.45 0.00 0.00 179.45 176.53 1pw7 h TYR 27 N 0.63 1.01 -0.08 1.91 5.03 -1.09 -1.45 116.97 122.93 1pw7 h TYR 27 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1pw7 h TYR 27 Cb 0.57 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1pw7 h TYR 27 CO 0.04 0.65 -0.16 0.82 -1.32 0.00 0.00 178.16 178.20 1pw7 h ILE 28 N 1.09 1.40 -0.53 1.81 2.04 -0.99 -1.63 117.51 120.70 1pw7 h ILE 28 Ca 0.29 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1pw7 h ILE 28 Cb -0.10 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1pw7 h ILE 28 CO -0.06 0.41 0.35 0.00 0.00 0.00 0.00 178.15 178.85 1pw7 h ALA 29 N 0.50 0.67 -0.60 1.87 0.00 -1.15 0.57 119.26 121.13 1pw7 h ALA 29 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1pw7 h ALA 29 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pw7 h ALA 29 CO 0.04 0.11 0.03 1.49 0.00 0.00 0.00 179.25 180.92 1pw7 h GLU 30 N 0.72 1.02 0.22 0.00 4.57 -1.31 -1.72 114.58 118.08 1pw7 h GLU 30 Ca 0.19 -0.30 -0.34 0.00 -1.18 0.00 0.00 59.36 57.74 1pw7 h GLU 30 Cb -0.08 -0.11 0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1pw7 h GLU 30 CO -0.04 0.98 -1.55 1.15 -1.18 0.00 0.00 179.01 178.37 1pw7 h THR 31 N 0.94 1.19 0.00 0.32 2.02 -1.02 -3.42 112.91 112.94 1pw7 h THR 31 Ca 0.18 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1pw7 h THR 31 Cb 0.51 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1pw7 h THR 31 CO 0.02 0.83 -0.97 0.49 0.37 0.00 0.00 175.52 176.26 1pw7 n PHE 32 N -3.65 0.00 -3.98 3.16 3.01 0.17 -5.04 117.46 111.13 1pw7 n PHE 32 Ca -0.19 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.96 1pw7 n PHE 32 Cb 1.09 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 40.40 1pw7 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pw7 s LEU 33 N -3.09 4.14 -0.08 4.37 1.43 -0.65 -4.71 118.68 120.09 1pw7 s LEU 33 Ca -0.01 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1pw7 s LEU 33 Cb 0.05 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1pw7 s LEU 33 CO 0.33 0.20 -0.02 -1.61 0.23 0.00 0.00 176.35 175.47 1pw7 s GLU 34 N -2.29 2.90 -1.23 1.70 0.41 -0.35 -4.60 118.70 115.23 1pw7 s GLU 34 Ca 0.31 -0.46 -0.00 0.00 -0.41 0.00 0.00 54.97 54.40 1pw7 s GLU 34 Cb -0.13 -2.72 -0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1pw7 s GLU 34 CO 0.23 0.69 0.89 -0.25 -0.49 0.00 0.00 175.26 176.32 1pw7 n ASP 35 N 2.13 -1.86 -4.71 -0.19 8.00 -1.26 -1.71 116.55 116.95 1pw7 n ASP 35 Ca -0.18 -0.70 -0.38 0.00 0.71 0.00 0.00 54.79 54.23 1pw7 n ASP 35 Cb 0.53 -4.73 -0.06 0.00 -0.02 0.00 0.00 41.12 36.85 1pw7 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pw7 s ALA 36 N -3.48 3.47 0.04 2.24 0.00 -1.26 -4.44 121.76 118.35 1pw7 s ALA 36 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.87 1pw7 s ALA 36 Cb -0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1pw7 s ALA 36 CO 0.76 -0.12 -0.23 -0.98 0.00 0.00 0.00 175.76 175.19 1pw7 s ARG 37 N 0.90 1.91 -0.01 0.00 1.70 -0.06 -4.92 118.95 118.47 1pw7 s ARG 37 Ca 0.27 -1.06 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 1pw7 s ARG 37 Cb -0.15 -2.07 -0.04 0.00 -0.57 0.00 0.00 34.95 32.12 1pw7 s ARG 37 CO 0.11 0.52 1.17 -2.00 -1.08 0.00 0.00 175.30 174.03 1pw7 s GLU 38 N -1.33 4.41 0.00 3.89 2.12 -1.26 -1.57 118.70 124.95 1pw7 s GLU 38 Ca 0.13 1.68 0.11 0.00 0.36 0.00 0.00 54.97 57.24 1pw7 s GLU 38 Cb -0.10 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1pw7 s GLU 38 CO 0.03 -0.33 0.65 1.33 -0.54 0.00 0.00 175.26 176.40 1pw7 n VAL 39 N 4.27 0.00 -3.55 3.70 0.24 0.16 -4.96 118.33 118.19 1pw7 n VAL 39 Ca 0.10 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.34 61.85 1pw7 n VAL 39 Cb 0.47 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 1pw7 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pw7 s ASN 40 N -1.42 -0.65 0.00 -1.34 3.84 -1.20 -4.48 114.94 109.68 1pw7 s ASN 40 Ca 0.09 0.87 0.00 0.00 0.21 0.00 0.00 52.86 54.02 1pw7 s ASN 40 Cb 0.08 0.74 0.00 0.00 -0.55 0.00 0.00 41.25 41.53 1pw7 s ASN 40 CO 0.27 -0.50 0.26 -0.46 -2.79 0.00 0.00 177.10 173.89 1pw7 n ASN 41 N 1.34 0.00 -4.70 -4.21 6.94 -1.26 -2.13 115.26 111.23 1pw7 n ASN 41 Ca -0.17 -1.00 -0.44 0.00 -0.02 0.00 0.00 54.58 52.95 1pw7 n ASN 41 Cb 0.57 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.96 1pw7 n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1pw7 n VAL 42 N 0.00 0.80 -1.44 3.53 0.31 -1.26 -0.44 118.33 119.82 1pw7 n VAL 42 Ca 0.00 -0.20 -0.16 0.00 -0.01 0.00 0.00 64.34 63.98 1pw7 n VAL 42 Cb 0.46 -1.71 -0.07 0.00 -0.91 0.00 0.00 33.84 31.62 1pw7 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pw7 n ARG 43 N 2.39 -1.37 -0.97 5.55 1.74 -1.26 -1.40 116.66 121.34 1pw7 n ARG 43 Ca 0.11 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 1pw7 n ARG 43 Cb 0.33 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 1pw7 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pw7 n GLY 44 N -0.27 0.35 3.11 -0.13 0.00 0.42 -4.92 105.19 103.75 1pw7 n GLY 44 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1pw7 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pw7 n MET 45 N -1.52 3.23 -1.62 1.61 0.00 -0.49 -4.83 117.12 113.50 1pw7 n MET 45 Ca 0.00 -3.24 -0.49 0.00 0.00 0.00 0.00 57.70 53.97 1pw7 n MET 45 Cb 0.16 -3.20 -0.05 0.00 0.00 0.00 0.00 33.22 30.14 1pw7 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pw7 n LEU 46 N 6.00 2.22 -4.19 -0.89 4.77 -1.26 -4.48 117.00 119.18 1pw7 n LEU 46 Ca 0.45 1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 57.33 1pw7 n LEU 46 Cb 0.41 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 1pw7 n LEU 46 CO 0.80 -0.79 -0.49 -0.83 -1.33 0.00 0.00 177.39 174.75 1pw7 s GLY 47 N 0.53 0.92 0.06 -0.72 0.00 -0.91 -2.79 107.32 104.41 1pw7 s GLY 47 Ca 0.80 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1pw7 s GLY 47 CO 0.45 -0.89 -0.04 -1.36 0.00 0.00 0.00 173.10 171.26 1pw7 s PHE 48 N -0.86 0.63 -0.01 1.90 0.08 0.77 -0.66 117.98 119.83 1pw7 s PHE 48 Ca 0.04 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 56.12 1pw7 s PHE 48 Cb -0.08 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1pw7 s PHE 48 CO 0.02 -0.28 0.00 0.99 -0.10 0.00 0.00 175.22 175.85 1pw7 s THR 49 N -3.58 0.02 0.00 0.64 2.01 -0.61 -1.29 115.64 112.83 1pw7 s THR 49 Ca 0.07 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1pw7 s THR 49 Cb 0.05 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.51 1pw7 s THR 49 CO -0.07 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1pw7 n GLY 50 N 3.38 2.63 3.09 4.40 0.00 0.06 -0.89 105.19 117.86 1pw7 n GLY 50 Ca -0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1pw7 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pw7 s THR 51 N -1.78 0.70 -0.22 2.61 -4.23 -0.69 -0.31 115.64 111.72 1pw7 s THR 51 Ca 0.00 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1pw7 s THR 51 Cb 0.00 -0.72 0.05 0.00 1.34 0.00 0.00 72.50 73.16 1pw7 s THR 51 CO 0.00 -0.29 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.23 1pw7 s TYR 52 N -1.24 2.59 -1.47 3.99 6.14 0.99 -1.22 117.35 127.14 1pw7 s TYR 52 Ca -0.07 -1.77 -0.08 0.00 0.64 0.00 0.00 57.07 55.80 1pw7 s TYR 52 Cb -0.09 -1.69 0.05 0.00 0.42 0.00 0.00 41.96 40.65 1pw7 s TYR 52 CO 0.01 -0.78 0.74 1.63 0.64 0.00 0.00 175.55 177.79 1pw7 n LYS 53 N 4.63 -4.44 0.00 4.97 5.02 -1.26 -0.79 118.16 126.29 1pw7 n LYS 53 Ca -0.14 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1pw7 n LYS 53 Cb 0.45 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 1pw7 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pw7 n GLY 54 N -1.69 2.71 3.71 0.72 0.00 -1.26 -5.01 105.19 104.37 1pw7 n GLY 54 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1pw7 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pw7 s ARG 55 N -0.20 4.44 -0.05 1.61 6.06 0.03 -5.00 118.95 125.84 1pw7 s ARG 55 Ca 0.00 0.96 -0.30 0.00 -2.50 0.00 0.00 55.73 53.89 1pw7 s ARG 55 Cb 0.00 -3.46 -0.05 0.00 0.06 0.00 0.00 34.95 31.50 1pw7 s ARG 55 CO 0.00 0.02 1.56 0.21 -2.50 0.00 0.00 175.30 174.59 1pw7 s LYS 56 N 0.93 4.21 0.02 5.12 2.20 -1.26 -0.01 119.74 130.95 1pw7 s LYS 56 Ca 0.39 2.10 0.02 0.00 -0.36 0.00 0.00 55.97 58.12 1pw7 s LYS 56 Cb -0.18 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1pw7 s LYS 56 CO 0.19 -0.77 -0.06 0.42 -0.36 0.00 0.00 175.35 174.76 1pw7 s ILE 57 N 3.56 0.46 0.21 5.43 -1.09 0.58 -4.71 121.20 125.64 1pw7 s ILE 57 Ca 0.70 -0.74 0.10 0.00 -2.23 0.00 0.00 60.65 58.48 1pw7 s ILE 57 Cb -0.32 -0.48 -0.05 0.00 -1.58 0.00 0.00 42.46 40.03 1pw7 s ILE 57 CO 0.27 -0.20 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.15 1pw7 s SER 58 N -1.01 3.05 -0.13 3.58 0.01 -1.13 -0.76 113.70 117.31 1pw7 s SER 58 Ca -0.06 -0.94 -0.07 0.00 1.31 0.00 0.00 55.95 56.18 1pw7 s SER 58 Cb -0.07 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.00 1pw7 s SER 58 CO 0.00 -0.01 0.31 0.54 0.41 0.00 0.00 173.24 174.49 1pw7 s VAL 59 N -2.31 -0.03 -0.14 3.43 0.11 -0.41 -0.88 120.40 120.17 1pw7 s VAL 59 Ca 0.22 0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 1pw7 s VAL 59 Cb -0.05 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1pw7 s VAL 59 CO 0.10 0.04 0.43 -0.32 -3.33 0.00 0.00 175.10 172.02 1pw7 s MET 60 N 1.16 0.55 0.78 1.54 0.00 -0.49 -0.16 119.30 122.68 1pw7 s MET 60 Ca -0.08 0.50 -0.11 0.00 0.00 0.00 0.00 55.69 56.00 1pw7 s MET 60 Cb -0.09 0.26 0.06 0.00 0.00 0.00 0.00 34.83 35.07 1pw7 s MET 60 CO -0.09 -0.08 1.09 0.20 0.00 0.00 0.00 175.02 176.13 1pw7 s GLY 61 N -0.00 1.66 0.00 2.11 0.00 -1.12 -3.69 107.32 106.29 1pw7 s GLY 61 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1pw7 s GLY 61 CO 0.01 0.53 0.55 -2.39 0.00 0.00 0.00 173.10 171.80 1pw7 n HIS 62 N -3.51 0.00 -0.44 1.90 1.44 -0.68 -4.90 115.22 109.02 1pw7 n HIS 62 Ca 0.08 -0.15 0.06 0.00 -2.01 0.00 0.00 57.72 55.71 1pw7 n HIS 62 Cb 0.54 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 1pw7 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pw7 n GLY 63 N -0.15 -1.55 3.73 -1.39 0.00 -0.75 -2.89 105.19 102.20 1pw7 n GLY 63 Ca 0.00 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 1pw7 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pw7 s MET 64 N -1.51 4.20 0.00 1.61 1.00 -1.26 -4.65 119.30 118.69 1pw7 s MET 64 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 55.69 55.54 1pw7 s MET 64 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 34.83 31.41 1pw7 s MET 64 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 175.02 175.72 1pw7 n GLY 65 N 3.48 2.47 0.23 -0.03 0.00 -1.25 -4.53 105.19 105.55 1pw7 n GLY 65 Ca -0.15 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 1pw7 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pw7 h ILE 66 N 0.00 1.14 -0.68 -0.61 2.04 -1.78 -2.11 117.51 115.52 1pw7 h ILE 66 Ca 0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1pw7 h ILE 66 Cb 0.00 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1pw7 h ILE 66 CO 0.00 0.14 0.45 -0.65 0.00 0.00 0.00 178.15 178.09 1pw7 h PRO 67 N 0.76 0.88 0.46 2.37 0.11 -1.91 -0.78 132.00 133.89 1pw7 h PRO 67 Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1pw7 h PRO 67 Cb -0.09 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.83 1pw7 h PRO 67 CO -0.05 0.59 -0.22 1.03 -0.21 0.00 0.00 178.00 179.14 1pw7 h SER 68 N 0.91 -0.52 0.38 -2.05 0.87 -1.72 -3.09 113.55 108.33 1pw7 h SER 68 Ca 0.25 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1pw7 h SER 68 Cb -0.10 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1pw7 h SER 68 CO -0.05 -0.10 -0.04 0.00 -0.53 0.00 0.00 176.83 176.11 1pw7 h SER 70 N 0.00 0.70 0.42 0.00 0.02 -1.17 -1.62 113.55 111.90 1pw7 h SER 70 Ca -0.00 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1pw7 h SER 70 Cb 0.24 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1pw7 h SER 70 CO 0.01 1.01 -0.20 0.40 -1.14 0.00 0.00 176.83 176.90 1pw7 h ILE 71 N 0.55 0.55 -0.41 3.27 2.04 -1.29 -2.57 117.51 119.65 1pw7 h ILE 71 Ca 0.05 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1pw7 h ILE 71 Cb 0.91 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1pw7 h ILE 71 CO 0.08 0.06 0.20 1.88 0.00 0.00 0.00 178.15 180.38 1pw7 h TYR 72 N -0.79 0.59 -0.66 1.37 0.05 -1.55 -2.35 116.97 113.63 1pw7 h TYR 72 Ca -0.06 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.63 1pw7 h TYR 72 Cb 0.54 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1pw7 h TYR 72 CO 0.00 0.49 0.17 1.79 -1.05 0.00 0.00 178.16 179.56 1pw7 h THR 73 N 0.53 1.25 -0.30 -2.88 1.35 -1.38 -2.09 112.91 109.40 1pw7 h THR 73 Ca 0.14 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 1pw7 h THR 73 Cb 0.11 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1pw7 h THR 73 CO -0.02 0.35 0.11 0.50 -0.25 0.00 0.00 175.52 176.21 1pw7 h LYS 74 N 0.98 0.45 -0.61 4.72 3.11 -1.33 -1.84 116.57 122.06 1pw7 h LYS 74 Ca 0.21 -0.09 -0.04 0.00 -2.81 0.00 0.00 60.65 57.93 1pw7 h LYS 74 Cb 0.33 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1pw7 h LYS 74 CO -0.00 0.48 0.23 0.93 -2.81 0.00 0.00 179.45 178.28 1pw7 h GLU 75 N 0.33 0.88 -0.04 1.90 5.08 -1.28 -0.80 114.58 120.65 1pw7 h GLU 75 Ca 0.10 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pw7 h GLU 75 Cb 0.20 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1pw7 h GLU 75 CO -0.01 0.73 0.01 -0.07 -1.00 0.00 0.00 179.01 178.67 1pw7 h LEU 76 N 0.87 0.07 -0.24 1.33 4.07 -1.23 -0.98 115.31 119.19 1pw7 h LEU 76 Ca 0.21 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1pw7 h LEU 76 Cb 0.18 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1pw7 h LEU 76 CO -0.02 0.31 0.04 0.40 -1.08 0.00 0.00 178.44 178.09 1pw7 h ILE 77 N -0.18 1.23 0.00 1.22 2.04 -1.14 -1.66 117.51 119.02 1pw7 h ILE 77 Ca 0.01 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1pw7 h ILE 77 Cb 0.27 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1pw7 h ILE 77 CO 0.00 0.24 -0.84 0.71 0.00 0.00 0.00 178.15 178.26 1pw7 h THR 78 N 0.21 0.32 0.00 -0.27 1.35 -1.21 -3.35 112.91 109.95 1pw7 h THR 78 Ca 0.07 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1pw7 h THR 78 Cb 0.32 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1pw7 h THR 78 CO 0.00 0.18 -0.90 0.47 -0.25 0.00 0.00 175.52 175.02 1pw7 n ASP 79 N -2.92 2.94 -0.09 5.36 8.00 -0.38 -4.73 116.55 124.73 1pw7 n ASP 79 Ca -0.02 -0.17 0.02 0.00 0.71 0.00 0.00 54.79 55.34 1pw7 n ASP 79 Cb 0.67 1.14 0.04 0.00 -0.02 0.00 0.00 41.12 42.95 1pw7 n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pw7 n PHE 80 N -1.49 0.06 -1.15 1.24 3.01 -0.65 -4.63 117.46 113.86 1pw7 n PHE 80 Ca -0.00 -0.59 -0.05 0.00 1.01 0.00 0.00 57.45 57.81 1pw7 n PHE 80 Cb 0.10 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1pw7 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pw7 n GLY 81 N -0.57 0.68 3.75 1.37 0.00 -1.14 -4.64 105.19 104.63 1pw7 n GLY 81 Ca 0.04 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1pw7 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pw7 s VAL 82 N -1.86 2.72 -0.02 1.61 1.01 -1.04 -4.77 120.40 118.05 1pw7 s VAL 82 Ca 0.00 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.68 1pw7 s VAL 82 Cb 0.00 -3.39 -0.15 0.00 0.00 0.00 0.00 36.38 32.85 1pw7 s VAL 82 CO 0.00 0.10 0.19 0.29 0.00 0.00 0.00 175.10 175.68 1pw7 n LYS 83 N 2.29 0.51 -4.00 2.72 5.02 -0.18 -4.45 118.16 120.07 1pw7 n LYS 83 Ca 0.06 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 1pw7 n LYS 83 Cb 0.41 -1.23 -0.15 0.00 -0.02 0.00 0.00 35.03 34.04 1pw7 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pw7 s LYS 84 N -2.62 0.27 -0.09 1.97 1.02 -1.00 -1.81 119.74 117.49 1pw7 s LYS 84 Ca -0.04 -0.04 0.04 0.00 0.02 0.00 0.00 55.97 55.95 1pw7 s LYS 84 Cb 0.06 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 1pw7 s LYS 84 CO 0.40 -0.01 -0.21 0.42 -0.92 0.00 0.00 175.35 175.03 1pw7 s ILE 85 N 0.33 1.83 -0.28 2.17 -1.09 -0.10 -1.72 121.20 122.34 1pw7 s ILE 85 Ca -0.03 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1pw7 s ILE 85 Cb -0.06 -1.59 0.08 0.00 -1.58 0.00 0.00 42.46 39.31 1pw7 s ILE 85 CO -0.01 0.51 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.56 1pw7 s ILE 86 N 0.39 1.82 0.09 2.92 1.01 -0.33 -1.14 121.20 125.95 1pw7 s ILE 86 Ca -0.17 -1.67 -0.30 0.00 0.00 0.00 0.00 60.65 58.51 1pw7 s ILE 86 Cb -0.17 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1pw7 s ILE 86 CO 0.07 -0.30 1.03 -0.60 0.00 0.00 0.00 174.94 175.15 1pw7 s ARG 87 N 1.21 4.60 -0.33 2.79 3.52 0.62 -0.69 118.95 130.67 1pw7 s ARG 87 Ca 0.00 1.55 0.02 0.00 -0.13 0.00 0.00 55.73 57.17 1pw7 s ARG 87 Cb -0.19 -3.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.93 1pw7 s ARG 87 CO -0.09 0.04 0.07 0.14 -0.81 0.00 0.00 175.30 174.66 1pw7 s VAL 88 N 0.37 1.60 0.00 7.11 -7.23 -0.88 -0.96 120.40 120.41 1pw7 s VAL 88 Ca 0.51 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1pw7 s VAL 88 Cb -0.25 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1pw7 s VAL 88 CO 0.30 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1pw7 n GLY 89 N 4.53 5.49 3.41 2.32 0.00 -0.60 -4.19 105.19 116.15 1pw7 n GLY 89 Ca 0.01 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 1pw7 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pw7 s SER 90 N 1.00 3.26 0.11 1.61 1.04 -1.26 -2.03 113.70 117.43 1pw7 s SER 90 Ca 0.00 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.41 1pw7 s SER 90 Cb 0.00 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 1pw7 s SER 90 CO 0.00 0.04 0.22 0.00 0.98 0.00 0.00 173.24 174.48 1pw7 s GLY 92 N -2.89 2.27 0.17 0.00 0.00 -0.57 -1.04 107.32 105.26 1pw7 s GLY 92 Ca 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1pw7 s GLY 92 CO -0.08 -0.36 0.38 0.00 0.00 0.00 0.00 173.10 173.05 1pw7 s ALA 93 N -1.33 3.81 0.00 3.20 0.00 0.21 -0.32 121.76 127.34 1pw7 s ALA 93 Ca 0.29 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1pw7 s ALA 93 Cb -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1pw7 s ALA 93 CO 0.17 0.56 0.00 1.33 0.00 0.00 0.00 175.76 177.81 1pw7 n VAL 94 N -0.28 0.00 -2.47 0.00 0.24 -1.26 -0.86 118.33 113.70 1pw7 n VAL 94 Ca -0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 1pw7 n VAL 94 Cb 0.53 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1pw7 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pw7 s LEU 95 N -4.67 4.38 0.32 1.34 1.43 -1.26 -4.83 118.68 115.40 1pw7 s LEU 95 Ca 0.00 1.98 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1pw7 s LEU 95 Cb 0.00 -3.58 0.53 0.00 0.03 0.00 0.00 46.19 43.17 1pw7 s LEU 95 CO 0.00 -0.41 1.94 1.55 0.23 0.00 0.00 176.35 179.66 1pw7 h PRO 96 N 6.58 0.85 0.00 1.29 0.13 -1.97 -2.30 132.00 136.57 1pw7 h PRO 96 Ca -0.42 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pw7 h PRO 96 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1pw7 h PRO 96 CO 0.79 0.64 0.00 0.72 -0.23 0.00 0.00 178.00 179.92 1pw7 n HIS 97 N -4.37 0.00 -3.40 1.56 8.25 -1.26 -4.57 115.22 111.43 1pw7 n HIS 97 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 1pw7 n HIS 97 Cb 0.11 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 1pw7 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pw7 s VAL 98 N -2.02 5.17 0.54 1.59 1.01 -0.87 -5.07 120.40 120.75 1pw7 s VAL 98 Ca 0.33 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1pw7 s VAL 98 Cb 0.16 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1pw7 s VAL 98 CO 0.26 -0.24 0.76 -0.54 0.00 0.00 0.00 175.10 175.35 1pw7 s LYS 99 N 1.96 2.62 0.61 2.72 -0.14 -1.26 -4.90 119.74 121.35 1pw7 s LYS 99 Ca 0.10 -0.74 -0.19 0.00 -1.36 0.00 0.00 55.97 53.78 1pw7 s LYS 99 Cb -0.17 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1pw7 s LYS 99 CO 0.12 -0.65 1.26 -0.51 -0.76 0.00 0.00 175.35 174.81 1pw7 s LEU 100 N -4.73 3.65 -1.44 3.17 1.02 -1.26 -2.71 118.68 116.38 1pw7 s LEU 100 Ca 0.56 2.54 0.00 0.00 0.02 0.00 0.00 54.13 57.25 1pw7 s LEU 100 Cb -0.10 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.54 1pw7 s LEU 100 CO 0.38 -1.77 0.00 0.54 0.02 0.00 0.00 176.35 175.52 1pw7 n ARG 101 N -1.65 -0.98 -3.09 1.70 1.74 -1.12 -4.96 116.66 108.29 1pw7 n ARG 101 Ca 0.14 0.97 -0.34 0.00 -0.77 0.00 0.00 57.85 57.85 1pw7 n ARG 101 Cb 0.48 -5.06 -0.06 0.00 -1.02 0.00 0.00 32.46 26.80 1pw7 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pw7 s ASP 102 N -2.83 6.94 -0.26 0.55 1.01 -1.10 -4.85 116.67 116.13 1pw7 s ASP 102 Ca 0.00 1.38 -0.12 0.00 0.71 0.00 0.00 52.55 54.53 1pw7 s ASP 102 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 1pw7 s ASP 102 CO 0.00 -0.08 0.21 -0.69 0.21 0.00 0.00 175.17 174.82 1pw7 s VAL 103 N -1.74 5.30 -0.08 -1.27 1.01 -1.26 -2.31 120.40 120.05 1pw7 s VAL 103 Ca 0.49 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1pw7 s VAL 103 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1pw7 s VAL 103 CO 0.19 0.27 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 1pw7 s VAL 104 N 1.55 3.59 -0.18 2.92 1.01 0.13 -1.60 120.40 127.83 1pw7 s VAL 104 Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1pw7 s VAL 104 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1pw7 s VAL 104 CO 0.09 0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 174.95 1pw7 s ILE 105 N -0.59 2.16 -0.90 2.22 1.01 0.16 -0.55 121.20 124.71 1pw7 s ILE 105 Ca 0.09 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 1pw7 s ILE 105 Cb -0.12 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.53 1pw7 s ILE 105 CO 0.02 0.53 1.23 -0.83 0.00 0.00 0.00 174.94 175.89 1pw7 s GLY 106 N 1.27 1.51 0.40 6.18 0.00 -0.50 -1.79 107.32 114.40 1pw7 s GLY 106 Ca 0.04 -2.32 0.13 0.00 0.00 0.00 0.00 44.72 42.57 1pw7 s GLY 106 CO -0.11 2.32 1.91 1.98 0.00 0.00 0.00 173.10 179.19 1pw7 h MET 107 N 9.40 0.05 -3.99 2.90 4.05 -1.42 -3.40 114.93 122.53 1pw7 h MET 107 Ca 0.07 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 1pw7 h MET 107 Cb 1.03 -0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.69 1pw7 h MET 107 CO 1.25 0.30 -0.43 0.20 0.23 0.00 0.00 176.91 178.46 1pw7 s GLY 108 N -4.21 0.44 -0.06 1.39 0.00 -1.16 -1.59 107.32 102.12 1pw7 s GLY 108 Ca -0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.73 1pw7 s GLY 108 CO 0.72 -0.96 0.10 0.00 0.00 0.00 0.00 173.10 172.95 1pw7 s ALA 109 N -3.94 0.11 0.73 3.20 0.00 -0.51 -1.37 121.76 119.99 1pw7 s ALA 109 Ca 0.13 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 1pw7 s ALA 109 Cb 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.50 1pw7 s ALA 109 CO -0.04 -0.56 1.10 0.00 0.00 0.00 0.00 175.76 176.25 1pw7 s THR 111 N -3.39 0.00 -1.09 0.00 -1.32 -1.26 -0.36 115.64 108.22 1pw7 s THR 111 Ca 0.59 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.20 1pw7 s THR 111 Cb -0.11 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.21 1pw7 s THR 111 CO 0.49 0.00 1.26 -0.90 -2.21 0.00 0.00 174.62 173.26 1pw7 n ASP 112 N 0.06 2.96 -4.88 8.08 3.85 -1.21 -4.98 116.55 120.43 1pw7 n ASP 112 Ca -0.12 -1.96 -0.30 0.00 -0.71 0.00 0.00 54.79 51.69 1pw7 n ASP 112 Cb 0.61 -0.24 0.02 0.00 -1.35 0.00 0.00 41.12 40.16 1pw7 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pw7 s SER 113 N -1.00 5.99 0.00 -1.12 0.15 -1.26 -4.90 113.70 111.56 1pw7 s SER 113 Ca 0.25 1.25 0.19 0.00 0.70 0.00 0.00 55.95 58.35 1pw7 s SER 113 Cb 0.13 -2.26 0.15 0.00 -1.71 0.00 0.00 66.02 62.34 1pw7 s SER 113 CO 0.18 -0.97 1.12 1.17 1.20 0.00 0.00 173.24 175.93 1pw7 n LYS 114 N -2.76 1.70 -0.32 5.44 4.81 -1.26 -4.67 118.16 121.10 1pw7 n LYS 114 Ca 0.06 -1.66 -0.02 0.00 -0.87 0.00 0.00 58.31 55.82 1pw7 n LYS 114 Cb 0.55 -1.37 0.10 0.00 0.02 0.00 0.00 35.03 34.33 1pw7 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pw7 h VAL 115 N 3.81 1.18 0.00 3.15 -1.51 -1.99 -1.48 116.25 119.41 1pw7 h VAL 115 Ca 0.00 -0.39 -0.09 0.00 -1.23 0.00 0.00 66.70 64.99 1pw7 h VAL 115 Cb 0.81 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1pw7 h VAL 115 CO 0.00 0.21 -0.41 0.78 -1.23 0.00 0.00 177.57 176.92 1pw7 h ASN 116 N 1.15 0.00 0.34 4.19 2.35 -1.94 -2.15 115.58 119.52 1pw7 h ASN 116 Ca 0.34 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.91 1pw7 h ASN 116 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1pw7 h ASN 116 CO -0.09 0.41 -0.74 0.03 -1.65 0.00 0.00 177.43 175.39 1pw7 h ARG 117 N 0.00 0.33 -0.43 0.81 3.08 -1.70 0.12 114.38 116.58 1pw7 h ARG 117 Ca -0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1pw7 h ARG 117 Cb 1.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1pw7 h ARG 117 CO 0.05 0.93 -0.09 0.82 -1.07 0.00 0.00 179.97 180.61 1pw7 h ILE 118 N 0.22 1.25 0.03 2.04 2.04 -1.10 0.30 117.51 122.31 1pw7 h ILE 118 Ca -0.03 -1.14 -0.23 0.00 1.00 0.00 0.00 64.86 64.47 1pw7 h ILE 118 Cb 1.31 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1pw7 h ILE 118 CO 0.12 0.39 -0.99 0.03 0.00 0.00 0.00 178.15 177.70 1pw7 h ARG 119 N 0.70 0.26 -1.12 2.37 3.08 -1.10 -3.38 114.38 115.19 1pw7 h ARG 119 Ca 0.12 -0.33 -0.66 0.00 0.07 0.00 0.00 59.98 59.19 1pw7 h ARG 119 Cb 0.56 0.10 -0.33 0.00 0.08 0.00 0.00 29.97 30.39 1pw7 h ARG 119 CO 0.03 1.07 0.39 0.34 -1.07 0.00 0.00 179.97 180.73 1pw7 n PHE 120 N -3.63 3.10 -3.39 3.04 7.35 0.38 -4.92 117.46 119.37 1pw7 n PHE 120 Ca -0.05 -2.74 -0.24 0.00 -0.76 0.00 0.00 57.45 53.65 1pw7 n PHE 120 Cb 0.88 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 39.65 1pw7 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pw7 n LYS 121 N -0.78 -3.80 -1.24 -4.13 4.76 -1.17 -1.44 118.16 110.35 1pw7 n LYS 121 Ca 0.56 0.55 -0.08 0.00 -2.87 0.00 0.00 58.31 56.46 1pw7 n LYS 121 Cb 0.67 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.53 1pw7 n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pw7 n ASP 122 N -2.39 -4.76 -3.30 4.39 4.64 0.11 -5.00 116.55 110.23 1pw7 n ASP 122 Ca -0.02 0.20 -0.09 0.00 -1.38 0.00 0.00 54.79 53.51 1pw7 n ASP 122 Cb 0.55 -2.99 0.03 0.00 -1.04 0.00 0.00 41.12 37.67 1pw7 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pw7 n HIS 123 N -2.50 -2.63 -3.10 -0.67 8.25 -0.52 -5.01 115.22 109.04 1pw7 n HIS 123 Ca -0.08 -0.94 -0.43 0.00 -0.26 0.00 0.00 57.72 56.01 1pw7 n HIS 123 Cb 0.40 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 1pw7 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pw7 s ASP 124 N -2.59 6.33 -0.23 0.41 1.11 -1.26 -4.58 116.67 115.86 1pw7 s ASP 124 Ca 0.26 -0.33 -0.14 0.00 0.18 0.00 0.00 52.55 52.52 1pw7 s ASP 124 Cb -0.02 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 1pw7 s ASP 124 CO 0.17 -0.80 0.30 0.12 1.18 0.00 0.00 175.17 176.14 1pw7 s PHE 125 N 2.86 3.33 -0.65 4.23 5.36 -1.26 -5.03 117.98 126.82 1pw7 s PHE 125 Ca 0.23 0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 56.36 1pw7 s PHE 125 Cb -0.14 -2.43 0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1pw7 s PHE 125 CO 0.19 -0.02 1.14 0.00 -1.46 0.00 0.00 175.22 175.07 1pw7 s ALA 126 N 1.34 2.95 -0.47 11.12 0.00 -1.26 -4.97 121.76 130.48 1pw7 s ALA 126 Ca 0.14 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 1pw7 s ALA 126 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1pw7 s ALA 126 CO 0.07 -2.89 1.55 0.00 0.00 0.00 0.00 175.76 174.49 1pw7 s ALA 127 N 4.93 2.83 0.23 0.00 0.00 -1.26 -4.98 121.76 123.50 1pw7 s ALA 127 Ca 0.34 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.09 1pw7 s ALA 127 Cb -0.10 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 1pw7 s ALA 127 CO 0.17 -2.80 -0.15 0.96 0.00 0.00 0.00 175.76 173.94 1pw7 s ILE 128 N 6.38 1.94 0.78 0.00 -4.36 -1.26 -1.42 121.20 123.25 1pw7 s ILE 128 Ca 0.63 -2.26 -0.08 0.00 -0.26 0.00 0.00 60.65 58.68 1pw7 s ILE 128 Cb -0.14 -2.15 0.11 0.00 1.25 0.00 0.00 42.46 41.52 1pw7 s ILE 128 CO 0.29 -0.52 1.10 0.00 0.24 0.00 0.00 174.94 176.06 1pw7 s ALA 129 N -2.85 2.98 -0.06 2.27 0.00 -0.62 -4.85 121.76 118.64 1pw7 s ALA 129 Ca 0.25 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1pw7 s ALA 129 Cb -0.01 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1pw7 s ALA 129 CO 0.10 -1.64 0.95 0.34 0.00 0.00 0.00 175.76 175.51 1pw7 s ASP 130 N -4.65 7.25 0.17 0.00 -1.08 -0.93 -4.97 116.67 112.45 1pw7 s ASP 130 Ca 0.65 1.53 -0.17 0.00 -0.52 0.00 0.00 52.55 54.04 1pw7 s ASP 130 Cb -0.08 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 38.94 1pw7 s ASP 130 CO 0.47 -0.33 1.67 0.15 0.52 0.00 0.00 175.17 177.65 1pw7 h PHE 131 N 6.96 -0.20 -0.68 -5.34 3.57 -1.96 -2.19 116.94 117.09 1pw7 h PHE 131 Ca -0.36 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.19 1pw7 h PHE 131 Cb 1.18 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 1pw7 h PHE 131 CO 0.69 -0.17 0.45 -0.44 -2.23 0.00 0.00 178.31 176.62 1pw7 h ASP 132 N 0.01 0.78 -0.36 0.41 3.32 -1.99 -0.98 116.42 117.61 1pw7 h ASP 132 Ca 0.20 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1pw7 h ASP 132 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1pw7 h ASP 132 CO -0.41 0.56 -0.17 0.24 -1.72 0.00 0.00 179.24 177.74 1pw7 h MET 133 N 0.92 0.83 -0.19 3.56 2.86 -1.82 0.77 114.93 121.85 1pw7 h MET 133 Ca 0.25 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1pw7 h MET 133 Cb -0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1pw7 h MET 133 CO -0.06 0.94 0.04 0.28 1.06 0.00 0.00 176.91 179.17 1pw7 h VAL 134 N 0.73 1.22 -0.74 -2.22 2.07 -0.81 -1.83 116.25 114.67 1pw7 h VAL 134 Ca 0.11 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1pw7 h VAL 134 Cb 0.69 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1pw7 h VAL 134 CO 0.05 0.22 0.35 -0.09 0.02 0.00 0.00 177.57 178.12 1pw7 h ARG 135 N 0.12 1.07 -0.69 1.57 2.43 -1.02 -0.93 114.38 116.92 1pw7 h ARG 135 Ca 0.06 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1pw7 h ARG 135 Cb 0.30 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1pw7 h ARG 135 CO 0.00 0.84 0.44 -0.91 -1.51 0.00 0.00 179.97 178.83 1pw7 h ASN 136 N 1.04 0.81 -0.41 -3.80 2.35 -0.72 -0.60 115.58 114.25 1pw7 h ASN 136 Ca 0.25 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1pw7 h ASN 136 Cb 0.13 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1pw7 h ASN 136 CO -0.03 0.61 -0.16 0.00 -1.65 0.00 0.00 177.43 176.20 1pw7 h ALA 137 N 1.24 0.58 -0.82 -0.83 0.00 -0.99 -0.47 119.26 117.96 1pw7 h ALA 137 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1pw7 h ALA 137 Cb -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1pw7 h ALA 137 CO -0.05 0.50 0.41 0.28 0.00 0.00 0.00 179.25 180.39 1pw7 h VAL 138 N 0.65 1.25 -0.20 0.00 2.07 -0.95 -0.62 116.25 118.45 1pw7 h VAL 138 Ca 0.10 -0.68 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1pw7 h VAL 138 Cb 0.71 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1pw7 h VAL 138 CO 0.05 0.29 -0.49 0.44 0.02 0.00 0.00 177.57 177.88 1pw7 h ASP 139 N 1.15 0.59 -0.42 0.57 3.45 -0.96 -2.31 116.42 118.49 1pw7 h ASP 139 Ca 0.28 -0.30 -0.15 0.00 0.43 0.00 0.00 57.03 57.30 1pw7 h ASP 139 Cb 0.09 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1pw7 h ASP 139 CO -0.04 0.99 -0.31 0.00 -1.57 0.00 0.00 179.24 178.31 1pw7 h ALA 140 N 1.03 0.63 -0.65 3.45 0.00 -0.81 -2.34 119.26 120.57 1pw7 h ALA 140 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1pw7 h ALA 140 Cb 1.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1pw7 h ALA 140 CO 0.09 0.68 0.30 0.00 0.00 0.00 0.00 179.25 180.32 1pw7 h ALA 141 N 0.83 0.83 -0.40 0.00 0.00 -1.05 -2.39 119.26 117.09 1pw7 h ALA 141 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pw7 h ALA 141 Cb 0.90 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1pw7 h ALA 141 CO 0.08 0.40 0.18 -0.22 0.00 0.00 0.00 179.25 179.69 1pw7 h LYS 142 N 0.89 0.59 -0.01 0.00 3.64 -1.33 0.11 116.57 120.46 1pw7 h LYS 142 Ca 0.22 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1pw7 h LYS 142 Cb 0.13 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pw7 h LYS 142 CO -0.03 0.53 0.02 0.00 -2.27 0.00 0.00 179.45 177.71 1pw7 h ALA 143 N 1.02 1.36 -0.37 5.00 0.00 -1.15 0.17 119.26 125.30 1pw7 h ALA 143 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pw7 h ALA 143 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pw7 h ALA 143 CO -0.01 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1pw7 n LEU 144 N -3.56 3.00 -0.91 0.00 4.77 -0.78 -4.94 117.00 114.58 1pw7 n LEU 144 Ca -0.03 -1.32 -0.10 0.00 -0.03 0.00 0.00 56.01 54.54 1pw7 n LEU 144 Cb 0.10 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1pw7 n LEU 144 CO 0.24 0.66 -0.11 0.61 -1.33 0.00 0.00 177.39 177.46 1pw7 n GLY 145 N 1.41 0.69 3.46 -0.72 0.00 0.60 -5.02 105.19 105.62 1pw7 n GLY 145 Ca 0.19 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1pw7 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pw7 s ILE 146 N -2.42 3.50 -0.35 -0.61 1.01 0.33 -5.00 121.20 117.66 1pw7 s ILE 146 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1pw7 s ILE 146 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1pw7 s ILE 146 CO 0.00 0.53 0.41 1.51 0.00 0.00 0.00 174.94 177.39 1pw7 s ASP 147 N 0.11 6.22 -0.06 3.58 3.84 -1.26 -3.56 116.67 125.54 1pw7 s ASP 147 Ca -0.03 -0.18 -0.03 0.00 -0.00 0.00 0.00 52.55 52.31 1pw7 s ASP 147 Cb -0.14 -2.22 -0.04 0.00 -1.38 0.00 0.00 42.92 39.14 1pw7 s ASP 147 CO 0.04 -0.38 0.08 0.00 -0.00 0.00 0.00 175.17 174.90 1pw7 s ALA 148 N 2.13 3.58 -0.12 2.11 0.00 -1.26 -4.51 121.76 123.70 1pw7 s ALA 148 Ca 0.14 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 1pw7 s ALA 148 Cb -0.16 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1pw7 s ALA 148 CO 0.12 0.64 0.38 1.03 0.00 0.00 0.00 175.76 177.93 1pw7 s ARG 149 N -1.29 4.22 -0.20 0.00 0.52 -0.63 -4.97 118.95 116.60 1pw7 s ARG 149 Ca 0.18 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.64 1pw7 s ARG 149 Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 1pw7 s ARG 149 CO 0.08 0.29 -0.07 0.08 0.02 0.00 0.00 175.30 175.70 1pw7 s VAL 150 N 0.25 3.29 0.00 3.52 1.01 -1.26 -0.67 120.40 126.54 1pw7 s VAL 150 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1pw7 s VAL 150 Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1pw7 s VAL 150 CO 0.08 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1pw7 n GLY 151 N 4.48 1.53 3.82 4.51 0.00 -0.74 -4.93 105.19 113.86 1pw7 n GLY 151 Ca -0.18 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1pw7 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pw7 s ASN 152 N 2.00 7.02 0.37 1.61 0.02 -1.26 -1.05 114.94 123.65 1pw7 s ASN 152 Ca 0.00 1.22 0.08 0.00 -1.02 0.00 0.00 52.86 53.13 1pw7 s ASN 152 Cb 0.00 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.89 1pw7 s ASN 152 CO 0.00 0.27 0.19 -0.76 0.02 0.00 0.00 177.10 176.83 1pw7 s LEU 153 N -1.15 3.24 -0.15 0.60 1.43 -0.47 -0.74 118.68 121.45 1pw7 s LEU 153 Ca 0.29 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1pw7 s LEU 153 Cb -0.19 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1pw7 s LEU 153 CO 0.18 -0.43 -0.11 0.12 0.23 0.00 0.00 176.35 176.35 1pw7 s PHE 154 N -2.49 1.94 -0.46 0.29 5.36 -0.50 -0.50 117.98 121.62 1pw7 s PHE 154 Ca 0.40 -1.11 -0.19 0.00 -0.96 0.00 0.00 56.93 55.08 1pw7 s PHE 154 Cb -0.01 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.25 1pw7 s PHE 154 CO 0.23 -0.63 0.57 -1.12 -1.46 0.00 0.00 175.22 172.82 1pw7 s SER 155 N 1.56 6.24 0.17 6.13 0.01 0.51 -1.02 113.70 127.30 1pw7 s SER 155 Ca 0.04 -0.68 -0.08 0.00 1.31 0.00 0.00 55.95 56.53 1pw7 s SER 155 Cb -0.13 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1pw7 s SER 155 CO -0.09 -0.76 0.46 0.00 0.41 0.00 0.00 173.24 173.26 1pw7 s ALA 156 N 2.52 3.67 -0.05 1.44 0.00 0.16 -3.31 121.76 126.19 1pw7 s ALA 156 Ca 0.16 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1pw7 s ALA 156 Cb -0.17 -2.30 -0.24 0.00 0.00 0.00 0.00 23.12 20.41 1pw7 s ALA 156 CO 0.14 0.57 0.62 -0.44 0.00 0.00 0.00 175.76 176.66 1pw7 h ASP 157 N 2.92 0.11 -3.70 0.00 3.45 -1.90 -3.41 116.42 113.89 1pw7 h ASP 157 Ca -0.47 -0.24 -0.68 0.00 0.43 0.00 0.00 57.03 56.07 1pw7 h ASP 157 Cb 1.17 -0.04 -0.32 0.00 -0.56 0.00 0.00 39.33 39.59 1pw7 h ASP 157 CO 0.70 1.21 -0.70 -0.76 -1.57 0.00 0.00 179.24 178.13 1pw7 s LEU 158 N -6.36 3.79 0.27 1.55 1.43 -1.26 -4.95 118.68 113.16 1pw7 s LEU 158 Ca -0.09 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 51.86 1pw7 s LEU 158 Cb 0.08 -1.73 0.38 0.00 0.03 0.00 0.00 46.19 44.94 1pw7 s LEU 158 CO 0.81 -0.24 1.81 0.15 0.23 0.00 0.00 176.35 179.12 1pw7 h PHE 159 N 8.04 0.86 -3.63 0.29 3.04 -1.97 -3.25 116.94 120.32 1pw7 h PHE 159 Ca -0.24 -0.09 -0.75 0.00 3.98 0.00 0.00 57.97 60.87 1pw7 h PHE 159 Cb 1.08 -0.25 -0.31 0.00 2.56 0.00 0.00 35.95 39.03 1pw7 h PHE 159 CO 0.61 0.74 -0.03 0.71 -2.02 0.00 0.00 178.31 178.31 1pw7 s TYR 160 N -5.18 3.74 0.28 0.41 2.02 -1.26 -5.06 117.35 112.30 1pw7 s TYR 160 Ca -0.10 -2.48 -0.29 0.00 -0.37 0.00 0.00 57.07 53.84 1pw7 s TYR 160 Cb 0.15 -3.54 -0.09 0.00 -0.40 0.00 0.00 41.96 38.08 1pw7 s TYR 160 CO 0.80 -0.90 1.02 0.45 -1.57 0.00 0.00 175.55 175.36 1pw7 s SER 161 N 1.22 7.36 0.08 2.29 0.15 -1.23 -4.97 113.70 118.60 1pw7 s SER 161 Ca 0.21 2.09 0.01 0.00 0.70 0.00 0.00 55.95 58.96 1pw7 s SER 161 Cb -0.13 -2.61 -0.25 0.00 -1.71 0.00 0.00 66.02 61.32 1pw7 s SER 161 CO -0.08 -0.06 1.14 -0.65 1.20 0.00 0.00 173.24 174.79 1pw7 h PRO 162 N 3.75 0.16 0.00 5.44 0.11 -1.97 -3.42 132.00 136.07 1pw7 h PRO 162 Ca -0.46 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1pw7 h PRO 162 Cb 1.21 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1pw7 h PRO 162 CO 0.67 1.09 0.00 -3.47 -0.21 0.00 0.00 178.00 176.08 1pw7 n ASP 163 N -3.43 0.00 0.00 -2.05 2.03 -1.26 -4.91 116.55 106.93 1pw7 n ASP 163 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1pw7 n ASP 163 Cb 1.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 1pw7 n ASP 163 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pw7 n GLY 164 N 0.00 2.78 0.18 0.27 0.00 -1.26 -4.82 105.19 102.34 1pw7 n GLY 164 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.46 1pw7 n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pw7 h GLU 165 N 0.00 0.00 -0.01 1.61 3.07 -1.99 -2.97 114.58 114.29 1pw7 h GLU 165 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pw7 h GLU 165 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pw7 h GLU 165 CO 0.00 0.40 0.01 1.98 -1.40 0.00 0.00 179.01 180.01 1pw7 h MET 166 N 0.00 0.00 -0.02 2.33 4.05 -2.00 -2.10 114.93 117.19 1pw7 h MET 166 Ca -0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1pw7 h MET 166 Cb 0.76 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 1pw7 h MET 166 CO 0.05 0.00 -0.74 0.74 0.23 0.00 0.00 176.91 177.19 1pw7 h PHE 167 N 0.00 0.19 -0.41 1.39 -1.00 -1.94 -0.45 116.94 114.71 1pw7 h PHE 167 Ca 0.00 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 1pw7 h PHE 167 Cb 0.03 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1pw7 h PHE 167 CO 0.00 0.83 -0.19 -0.44 -1.61 0.00 0.00 178.31 176.90 1pw7 h ASP 168 N 0.09 0.80 -0.17 2.17 3.32 -1.56 -2.02 116.42 119.06 1pw7 h ASP 168 Ca -0.02 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1pw7 h ASP 168 Cb 1.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1pw7 h ASP 168 CO 0.11 0.98 0.05 0.58 -1.72 0.00 0.00 179.24 179.24 1pw7 h VAL 169 N 0.70 1.18 -0.65 -1.35 2.07 -1.33 -1.13 116.25 115.75 1pw7 h VAL 169 Ca 0.10 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1pw7 h VAL 169 Cb 0.69 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1pw7 h VAL 169 CO 0.05 0.18 0.39 0.24 0.02 0.00 0.00 177.57 178.45 1pw7 h MET 170 N 0.10 0.75 -0.43 1.57 2.86 -0.98 -2.31 114.93 116.48 1pw7 h MET 170 Ca 0.05 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1pw7 h MET 170 Cb 0.23 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1pw7 h MET 170 CO -0.00 0.49 0.20 1.49 1.06 0.00 0.00 176.91 180.16 1pw7 h GLU 171 N 0.77 0.63 -0.74 1.72 4.81 -1.22 -1.46 114.58 119.09 1pw7 h GLU 171 Ca 0.26 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1pw7 h GLU 171 Cb 0.04 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1pw7 h GLU 171 CO -0.11 0.55 0.49 -0.22 -0.73 0.00 0.00 179.01 178.98 1pw7 h LYS 172 N 0.56 0.81 -0.64 1.92 3.64 -0.75 -2.36 116.57 119.75 1pw7 h LYS 172 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1pw7 h LYS 172 Cb 0.13 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1pw7 h LYS 172 CO -0.02 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 178.36 1pw7 n TYR 173 N -4.47 1.52 -1.12 1.91 4.01 -0.91 -4.96 117.16 113.14 1pw7 n TYR 173 Ca 0.10 -0.56 -0.04 0.00 -0.16 0.00 0.00 57.90 57.24 1pw7 n TYR 173 Cb 0.18 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 1pw7 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pw7 n GLY 174 N 0.80 0.71 3.72 2.72 0.00 -0.89 -5.00 105.19 107.25 1pw7 n GLY 174 Ca 0.23 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1pw7 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pw7 s ILE 175 N -2.15 2.01 0.03 -0.61 -1.09 -0.57 -4.63 121.20 114.19 1pw7 s ILE 175 Ca 0.00 0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.36 1pw7 s ILE 175 Cb 0.00 -3.00 -0.30 0.00 -1.58 0.00 0.00 42.46 37.57 1pw7 s ILE 175 CO 0.00 0.00 0.97 -0.07 -1.23 0.00 0.00 174.94 174.61 1pw7 h LEU 176 N 6.77 0.53 -7.15 2.97 3.38 -1.28 -3.37 115.31 117.15 1pw7 h LEU 176 Ca -0.43 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 56.86 1pw7 h LEU 176 Cb 1.20 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 1pw7 h LEU 176 CO 0.96 1.51 0.09 -0.83 0.09 0.00 0.00 178.44 180.25 1pw7 s GLY 177 N -4.79 -0.47 -0.17 0.83 0.00 -1.25 -4.30 107.32 97.17 1pw7 s GLY 177 Ca -0.08 0.53 -0.02 0.00 0.00 0.00 0.00 44.72 45.15 1pw7 s GLY 177 CO 0.89 0.22 -0.10 0.14 0.00 0.00 0.00 173.10 174.25 1pw7 s VAL 178 N -2.94 3.16 0.00 1.40 1.01 0.57 -1.41 120.40 122.19 1pw7 s VAL 178 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1pw7 s VAL 178 Cb -0.00 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1pw7 s VAL 178 CO -0.06 0.49 0.00 -1.84 0.00 0.00 0.00 175.10 173.69 1pw7 n GLU 179 N 4.06 0.31 -0.86 2.72 -0.00 -0.19 -1.51 120.64 125.18 1pw7 n GLU 179 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.99 1pw7 n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1pw7 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pw7 n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.67 117.12 121.44 1pw7 n MET 180 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 57.70 54.63 1pw7 n MET 180 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1pw7 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pw7 n GLU 181 N 0.17 0.00 -0.33 0.03 4.71 -1.26 -2.28 120.64 121.67 1pw7 n GLU 181 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.19 1pw7 n GLU 181 Cb 0.84 -0.43 0.10 0.00 -1.01 0.00 0.00 31.44 30.93 1pw7 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pw7 n ALA 182 N -1.32 0.11 -0.12 0.62 0.00 -1.26 -0.18 120.51 118.37 1pw7 n ALA 182 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 53.44 54.42 1pw7 n ALA 182 Cb 0.00 -0.54 0.31 0.00 0.00 0.00 0.00 19.45 19.22 1pw7 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw7 h ALA 183 N 1.63 1.52 -0.17 0.00 0.00 -1.84 -1.10 119.26 119.31 1pw7 h ALA 183 Ca 0.40 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1pw7 h ALA 183 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pw7 h ALA 183 CO -0.92 0.42 -0.18 0.78 0.00 0.00 0.00 179.25 179.34 1pw7 h GLY 184 N 0.83 0.46 1.03 0.00 0.00 -0.93 -2.42 103.07 102.05 1pw7 h GLY 184 Ca 0.21 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1pw7 h GLY 184 CO -0.04 0.43 0.31 -2.22 0.00 0.00 0.00 176.54 175.02 1pw7 h ILE 185 N 0.06 1.25 -0.18 2.60 2.04 -1.09 -1.43 117.51 120.77 1pw7 h ILE 185 Ca 0.02 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 1pw7 h ILE 185 Cb 0.73 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1pw7 h ILE 185 CO 0.04 0.31 -0.26 1.88 0.00 0.00 0.00 178.15 180.13 1pw7 h TYR 186 N 1.06 0.36 -0.36 1.37 0.99 -1.23 -0.48 116.97 118.67 1pw7 h TYR 186 Ca 0.25 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.78 1pw7 h TYR 186 Cb 0.19 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1pw7 h TYR 186 CO 0.02 0.56 -0.28 0.78 -0.00 0.00 0.00 178.16 179.23 1pw7 h GLY 187 N 1.00 0.91 1.08 3.88 0.00 -0.99 -2.32 103.07 106.63 1pw7 h GLY 187 Ca 0.04 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.40 1pw7 h GLY 187 CO 0.04 0.80 0.08 -2.08 0.00 0.00 0.00 176.54 175.38 1pw7 h VAL 188 N 0.63 1.27 -0.81 4.60 2.07 -0.93 -1.09 116.25 121.98 1pw7 h VAL 188 Ca 0.07 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1pw7 h VAL 188 Cb 0.86 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1pw7 h VAL 188 CO 0.07 0.40 0.48 0.00 0.02 0.00 0.00 177.57 178.55 1pw7 h ALA 189 N 1.04 1.03 -0.28 1.67 0.00 -1.01 -1.26 119.26 120.45 1pw7 h ALA 189 Ca 0.20 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1pw7 h ALA 189 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pw7 h ALA 189 CO 0.02 0.50 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 1pw7 h ALA 190 N 1.26 0.44 -0.63 0.00 0.00 -1.22 0.34 119.26 119.45 1pw7 h ALA 190 Ca 0.29 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1pw7 h ALA 190 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pw7 h ALA 190 CO -0.05 0.65 0.10 1.49 0.00 0.00 0.00 179.25 181.43 1pw7 h GLU 191 N 0.63 1.04 -0.37 0.00 4.81 -0.87 -3.21 114.58 116.61 1pw7 h GLU 191 Ca 0.01 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1pw7 h GLU 191 Cb 1.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1pw7 h GLU 191 CO 0.12 0.95 0.00 1.19 -0.73 0.00 0.00 179.01 180.54 1pw7 n PHE 192 N -4.22 0.95 -3.28 0.92 3.01 -0.50 -5.00 117.46 109.33 1pw7 n PHE 192 Ca 0.04 -0.71 -0.15 0.00 1.01 0.00 0.00 57.45 57.64 1pw7 n PHE 192 Cb 0.29 -0.23 0.08 0.00 -0.01 0.00 0.00 39.48 39.61 1pw7 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pw7 n GLY 193 N 0.13 -0.28 0.51 1.37 0.00 -0.64 -4.99 105.19 101.30 1pw7 n GLY 193 Ca 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1pw7 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw7 n ALA 194 N -3.84 0.07 -2.56 4.61 0.00 0.02 -5.04 120.51 113.77 1pw7 n ALA 194 Ca -0.24 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 1pw7 n ALA 194 Cb 0.64 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 20.12 1pw7 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pw7 s LYS 195 N -2.25 1.48 0.06 0.00 1.02 -0.75 -4.61 119.74 114.69 1pw7 s LYS 195 Ca 0.01 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 1pw7 s LYS 195 Cb 0.00 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1pw7 s LYS 195 CO 0.01 0.36 0.00 0.00 -0.92 0.00 0.00 175.35 174.80 1pw7 s ALA 196 N -0.34 0.40 -0.16 5.17 0.00 -1.26 -0.92 121.76 124.66 1pw7 s ALA 196 Ca 0.05 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 1pw7 s ALA 196 Cb -0.08 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1pw7 s ALA 196 CO -0.00 -0.39 0.53 -1.17 0.00 0.00 0.00 175.76 174.73 1pw7 s LEU 197 N -2.91 -0.03 -0.10 0.00 2.96 -0.30 -2.20 118.68 116.10 1pw7 s LEU 197 Ca 0.07 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1pw7 s LEU 197 Cb 0.08 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.64 1pw7 s LEU 197 CO -0.10 -0.28 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.54 1pw7 s THR 198 N -0.12 1.93 -0.03 3.68 2.01 -1.26 -0.27 115.64 121.57 1pw7 s THR 198 Ca -0.03 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.09 1pw7 s THR 198 Cb -0.03 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1pw7 s THR 198 CO 0.02 0.53 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.65 1pw7 s ILE 199 N 0.49 1.60 0.05 1.82 1.01 -0.13 -1.41 121.20 124.63 1pw7 s ILE 199 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1pw7 s ILE 199 Cb -0.17 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1pw7 s ILE 199 CO 0.06 0.46 -0.04 0.00 0.00 0.00 0.00 174.94 175.41 1pw7 s THR 201 N -2.83 2.65 -0.22 0.00 -4.23 -0.86 0.23 115.64 110.37 1pw7 s THR 201 Ca -0.01 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.34 1pw7 s THR 201 Cb 0.00 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1pw7 s THR 201 CO -0.05 0.58 1.49 -0.69 -0.54 0.00 0.00 174.62 175.42 1pw7 s VAL 202 N -0.61 3.87 -0.26 2.29 1.01 -0.98 -2.22 120.40 123.50 1pw7 s VAL 202 Ca 0.09 1.00 0.23 0.00 0.00 0.00 0.00 61.98 63.30 1pw7 s VAL 202 Cb -0.11 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1pw7 s VAL 202 CO 0.00 -0.31 1.09 0.77 0.00 0.00 0.00 175.10 176.65 1pw7 h SER 203 N 9.96 0.00 -4.29 3.32 4.64 -1.45 -2.97 113.55 122.76 1pw7 h SER 203 Ca -0.31 -0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1pw7 h SER 203 Cb 1.13 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.03 1pw7 h SER 203 CO 1.00 0.00 0.64 1.51 -0.87 0.00 0.00 176.83 179.11 1pw7 s ASP 204 N -5.40 -0.27 -0.41 4.97 -4.77 -1.24 -2.02 116.67 107.53 1pw7 s ASP 204 Ca 0.00 0.10 -0.13 0.00 -3.30 0.00 0.00 52.55 49.22 1pw7 s ASP 204 Cb 0.09 0.27 0.04 0.00 -1.09 0.00 0.00 42.92 42.22 1pw7 s ASP 204 CO 0.78 -0.39 0.28 -2.28 0.70 0.00 0.00 175.17 174.26 1pw7 s HIS 205 N -2.26 3.25 -0.92 2.11 2.46 -1.26 0.64 115.29 119.32 1pw7 s HIS 205 Ca 0.05 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1pw7 s HIS 205 Cb -0.01 -2.65 0.00 0.00 -0.13 0.00 0.00 32.58 29.79 1pw7 s HIS 205 CO -0.05 -0.67 0.91 -0.89 -2.47 0.00 0.00 174.74 171.58 1pw7 n ILE 206 N 5.08 1.67 0.00 0.89 5.41 -0.04 0.14 119.36 132.50 1pw7 n ILE 206 Ca -0.11 0.48 0.00 0.00 1.00 0.00 0.00 62.75 64.11 1pw7 n ILE 206 Cb 0.46 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 1pw7 n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pw7 n ARG 207 N -1.41 0.00 0.00 0.38 5.12 -1.26 -4.53 116.66 114.96 1pw7 n ARG 207 Ca 0.00 0.10 0.12 0.00 -1.93 0.00 0.00 57.85 56.15 1pw7 n ARG 207 Cb 0.06 -0.47 0.65 0.00 -1.16 0.00 0.00 32.46 31.54 1pw7 n ARG 207 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1pw7 n THR 208 N -1.85 0.16 -2.13 0.55 -1.04 -1.15 -5.01 114.28 103.80 1pw7 n THR 208 Ca 0.00 0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.14 1pw7 n THR 208 Cb 0.00 -0.64 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 1pw7 n THR 208 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1pw7 n HIS 209 N -1.19 -2.66 -0.95 -1.42 8.25 0.37 -4.95 115.22 112.67 1pw7 n HIS 209 Ca 0.14 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 1pw7 n HIS 209 Cb 0.16 -1.45 0.00 0.00 1.12 0.00 0.00 29.99 29.81 1pw7 n HIS 209 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pw7 n GLU 210 N -2.62 -1.47 0.00 -0.41 0.00 -1.26 -4.37 120.64 110.51 1pw7 n GLU 210 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 57.16 58.57 1pw7 n GLU 210 Cb 0.30 -1.16 0.00 0.00 0.00 0.00 0.00 31.44 30.58 1pw7 n GLU 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1pw7 n GLN 211 N 0.50 1.85 -3.67 5.31 3.00 -1.26 -4.04 117.38 119.06 1pw7 n GLN 211 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1pw7 n GLN 211 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 1pw7 n GLN 211 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1pw7 s THR 212 N 0.73 -0.45 -0.29 5.09 -1.32 -0.86 -4.91 115.64 113.64 1pw7 s THR 212 Ca 0.00 0.20 -0.05 0.00 -1.21 0.00 0.00 61.69 60.64 1pw7 s THR 212 Cb 0.00 -0.56 0.16 0.00 -1.51 0.00 0.00 72.50 70.59 1pw7 s THR 212 CO 0.00 0.08 0.59 -0.89 -2.21 0.00 0.00 174.62 172.19 1pw7 s THR 213 N 2.31 -0.94 -2.12 5.08 2.01 -1.26 -4.85 115.64 115.86 1pw7 s THR 213 Ca -0.02 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1pw7 s THR 213 Cb -0.11 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1pw7 s THR 213 CO -0.11 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.82 1pw7 n ALA 214 N 5.43 0.00 -0.12 7.40 0.00 -1.26 -4.94 120.51 127.02 1pw7 n ALA 214 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1pw7 n ALA 214 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1pw7 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw7 h ALA 215 N 0.00 0.04 -0.40 0.00 0.00 -2.00 0.13 119.26 117.03 1pw7 h ALA 215 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1pw7 h ALA 215 Cb 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1pw7 h ALA 215 CO 0.00 -0.60 -0.11 0.93 0.00 0.00 0.00 179.25 179.47 1pw7 h GLU 216 N -0.15 0.71 -0.19 0.00 5.08 -1.99 -0.72 114.58 117.31 1pw7 h GLU 216 Ca 0.20 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1pw7 h GLU 216 Cb 0.47 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1pw7 h GLU 216 CO -0.51 0.80 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.14 1pw7 h ARG 217 N 0.64 0.39 0.00 2.33 1.12 -1.73 -2.37 114.38 114.76 1pw7 h ARG 217 Ca 0.11 -0.16 -0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1pw7 h ARG 217 Cb 0.57 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 1pw7 h ARG 217 CO 0.04 0.67 -0.27 1.96 -3.11 0.00 0.00 179.97 179.25 1pw7 h GLN 218 N 0.10 0.00 -0.33 0.20 4.20 -0.66 -1.51 115.11 117.11 1pw7 h GLN 218 Ca 0.05 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1pw7 h GLN 218 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1pw7 h GLN 218 CO 0.02 0.27 -0.25 1.15 -0.67 0.00 0.00 178.83 179.35 1pw7 h THR 219 N 0.00 1.29 -0.37 -0.54 2.02 -0.99 -2.53 112.91 111.80 1pw7 h THR 219 Ca -0.00 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.67 1pw7 h THR 219 Cb 0.52 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1pw7 h THR 219 CO 0.04 0.46 -0.18 0.74 0.37 0.00 0.00 175.52 176.95 1pw7 h THR 220 N 0.53 1.26 -0.66 3.16 2.02 -0.99 -1.55 112.91 116.68 1pw7 h THR 220 Ca 0.06 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 1pw7 h THR 220 Cb 0.82 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1pw7 h THR 220 CO 0.07 0.41 0.20 0.15 0.37 0.00 0.00 175.52 176.72 1pw7 h PHE 221 N 0.62 1.04 -0.22 3.16 3.04 -1.20 -2.01 116.94 121.37 1pw7 h PHE 221 Ca 0.10 -0.09 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1pw7 h PHE 221 Cb 0.65 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1pw7 h PHE 221 CO 0.03 0.83 -0.36 -0.91 -2.02 0.00 0.00 178.31 175.88 1pw7 h ASN 222 N 0.97 0.50 -0.61 0.41 -0.26 -1.10 -2.70 115.58 112.79 1pw7 h ASN 222 Ca 0.22 -0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1pw7 h ASN 222 Cb 0.28 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1pw7 h ASN 222 CO -0.01 0.82 0.24 0.44 -1.06 0.00 0.00 177.43 177.86 1pw7 h ASP 223 N 0.41 0.85 -0.56 5.81 3.32 -0.85 -0.73 116.42 124.67 1pw7 h ASP 223 Ca 0.04 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1pw7 h ASP 223 Cb 0.82 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1pw7 h ASP 223 CO 0.07 0.80 0.31 -0.03 -1.72 0.00 0.00 179.24 178.67 1pw7 h MET 224 N 0.86 0.58 -0.68 3.56 1.85 -1.17 0.96 114.93 120.89 1pw7 h MET 224 Ca 0.20 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.18 1pw7 h MET 224 Cb 0.22 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 1pw7 h MET 224 CO -0.02 0.39 0.12 0.82 -0.40 0.00 0.00 176.91 177.82 1pw7 h ILE 225 N 0.60 1.26 -0.54 1.77 1.08 -1.15 -0.76 117.51 119.78 1pw7 h ILE 225 Ca 0.24 -1.03 -0.07 0.00 -0.39 0.00 0.00 64.86 63.61 1pw7 h ILE 225 Cb 0.10 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1pw7 h ILE 225 CO -0.14 0.39 0.04 0.11 -0.69 0.00 0.00 178.15 177.87 1pw7 h LYS 226 N 1.04 0.88 -0.48 2.37 1.57 -0.63 -0.37 116.57 120.95 1pw7 h LYS 226 Ca 0.21 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pw7 h LYS 226 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1pw7 h LYS 226 CO 0.01 0.85 0.25 0.82 -0.57 0.00 0.00 179.45 180.81 1pw7 h ILE 227 N 0.82 1.17 0.08 1.86 2.04 -0.34 0.12 117.51 123.27 1pw7 h ILE 227 Ca 0.16 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1pw7 h ILE 227 Cb 0.43 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1pw7 h ILE 227 CO 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 178.15 178.31 1pw7 h ALA 228 N 1.09 -0.11 -0.35 1.87 0.00 -0.69 -0.90 119.26 120.17 1pw7 h ALA 228 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pw7 h ALA 228 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pw7 h ALA 228 CO -0.03 -0.52 0.14 -0.07 0.00 0.00 0.00 179.25 178.77 1pw7 h LEU 229 N -0.20 0.49 -1.27 0.00 3.38 -0.97 -2.83 115.31 113.90 1pw7 h LEU 229 Ca -0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1pw7 h LEU 229 Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1pw7 h LEU 229 CO 0.02 0.53 -0.25 -0.33 0.09 0.00 0.00 178.44 178.50 1pw7 h GLU 230 N 0.42 0.18 0.00 1.13 4.39 -0.74 -2.72 114.58 117.24 1pw7 h GLU 230 Ca 0.12 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1pw7 h GLU 230 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1pw7 h GLU 230 CO -0.01 0.42 -0.30 0.66 -1.16 0.00 0.00 179.01 178.62 1pw7 h SER 231 N 0.16 0.00 -0.28 1.42 4.64 -0.92 -2.34 113.55 116.23 1pw7 h SER 231 Ca 0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1pw7 h SER 231 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1pw7 h SER 231 CO 0.04 0.30 -0.05 0.58 -0.87 0.00 0.00 176.83 176.83 1pw7 h VAL 232 N 0.00 1.28 -0.66 0.95 2.07 -1.32 -1.61 116.25 116.96 1pw7 h VAL 232 Ca -0.00 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1pw7 h VAL 232 Cb 0.55 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1pw7 h VAL 232 CO 0.04 0.33 0.38 -0.07 0.02 0.00 0.00 177.57 178.27 1pw7 h LEU 233 N 0.30 0.80 -0.82 2.57 3.38 -1.46 -0.97 115.31 119.10 1pw7 h LEU 233 Ca 0.07 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pw7 h LEU 233 Cb 0.51 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1pw7 h LEU 233 CO 0.02 0.64 0.53 -0.07 0.09 0.00 0.00 178.44 179.66 1pw7 h LEU 234 N 0.89 0.95 -1.33 1.67 3.38 -1.32 -2.20 115.31 117.36 1pw7 h LEU 234 Ca 0.23 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1pw7 h LEU 234 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1pw7 h LEU 234 CO -0.04 0.70 0.03 1.23 0.09 0.00 0.00 178.44 180.45 1pw7 h GLY 235 N 1.12 0.52 2.00 0.83 0.00 -0.50 -2.33 103.07 104.71 1pw7 h GLY 235 Ca 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1pw7 h GLY 235 CO -0.06 0.26 -0.08 -0.55 0.00 0.00 0.00 176.54 176.11 1pw7 h ASP 236 N 0.47 0.00 -0.02 0.19 3.32 -0.55 -3.51 116.42 116.31 1pw7 h ASP 236 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1pw7 h ASP 236 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1pw7 h ASP 236 CO 0.00 0.08 0.00 0.29 -1.72 0.00 0.00 179.24 177.90