#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws0 s ALA 2 N 0.00 1.04 -0.27 3.17 0.00 -1.26 -5.10 121.76 119.35 1ws0 s ALA 2 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1ws0 s ALA 2 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1ws0 s ALA 2 CO 0.00 0.23 0.80 0.08 0.00 0.00 0.00 175.76 176.87 1ws0 s VAL 3 N -0.51 4.83 0.20 0.00 1.01 -1.26 -4.71 120.40 119.95 1ws0 s VAL 3 Ca 0.03 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 1ws0 s VAL 3 Cb -0.06 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1ws0 s VAL 3 CO 0.00 -0.13 0.58 -0.76 0.00 0.00 0.00 175.10 174.79 1ws0 s LEU 4 N 2.87 4.25 0.10 3.92 1.43 -1.26 -5.03 118.68 124.97 1ws0 s LEU 4 Ca 0.34 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.20 1ws0 s LEU 4 Cb -0.15 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 1ws0 s LEU 4 CO 0.09 0.01 1.14 -0.70 0.23 0.00 0.00 176.35 177.13 1ws0 s GLU 5 N -2.34 4.50 -0.23 1.70 2.12 -1.26 -4.98 118.70 118.21 1ws0 s GLU 5 Ca 0.43 1.72 -0.19 0.00 0.36 0.00 0.00 54.97 57.29 1ws0 s GLU 5 Cb -0.13 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1ws0 s GLU 5 CO 0.20 -0.12 0.57 0.42 -0.54 0.00 0.00 175.26 175.79 1ws0 s ILE 6 N 0.55 5.05 0.08 -3.70 1.01 -1.26 -4.49 121.20 118.44 1ws0 s ILE 6 Ca 0.55 1.02 -0.31 0.00 0.00 0.00 0.00 60.65 61.91 1ws0 s ILE 6 Cb -0.29 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 1ws0 s ILE 6 CO 0.31 0.10 1.42 -0.63 0.00 0.00 0.00 174.94 176.15 1ws0 s ILE 7 N 2.12 3.36 0.09 2.92 -1.09 0.13 -5.00 121.20 123.73 1ws0 s ILE 7 Ca 0.25 0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 59.46 1ws0 s ILE 7 Cb -0.16 -3.59 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 1ws0 s ILE 7 CO 0.09 0.05 0.45 -0.54 -1.23 0.00 0.00 174.94 173.76 1ws0 s LYS 8 N 1.58 3.85 -0.33 2.79 -0.14 -1.26 -4.46 119.74 121.76 1ws0 s LYS 8 Ca 0.65 0.30 -0.28 0.00 -1.36 0.00 0.00 55.97 55.28 1ws0 s LYS 8 Cb -0.36 -3.00 -0.07 0.00 -1.68 0.00 0.00 37.83 32.72 1ws0 s LYS 8 CO 0.30 0.55 2.29 1.58 -0.76 0.00 0.00 175.35 179.31 1ws0 n HIS 9 N 0.98 1.72 -4.38 3.18 -0.00 0.24 -3.77 115.22 113.19 1ws0 n HIS 9 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.39 1ws0 n HIS 9 Cb 0.52 -2.67 -0.13 0.00 -0.00 0.00 0.00 29.99 27.71 1ws0 n HIS 9 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1ws0 s PRO 10 N 7.00 1.26 -0.30 1.57 0.04 -1.26 -4.92 135.00 138.40 1ws0 s PRO 10 Ca 1.02 -1.19 -0.16 0.00 0.04 0.00 0.00 61.00 60.71 1ws0 s PRO 10 Cb -0.37 -1.58 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1ws0 s PRO 10 CO 0.34 0.38 1.21 1.21 0.04 0.00 0.00 177.00 180.18 1ws0 s ASN 11 N -1.84 -0.15 0.45 6.66 3.04 -1.25 -5.05 114.94 116.80 1ws0 s ASN 11 Ca 0.09 0.23 0.13 0.00 0.04 0.00 0.00 52.86 53.35 1ws0 s ASN 11 Cb -0.10 1.07 1.00 0.00 -1.54 0.00 0.00 41.25 41.69 1ws0 s ASN 11 CO 0.04 -0.04 2.03 -0.33 -3.04 0.00 0.00 177.10 175.76 1ws0 h GLU 12 N 5.46 0.13 -0.18 0.43 5.08 -2.00 -2.66 114.58 120.84 1ws0 h GLU 12 Ca -0.26 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1ws0 h GLU 12 Cb 1.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1ws0 h GLU 12 CO 0.21 0.20 0.14 -0.24 -1.00 0.00 0.00 179.01 178.33 1ws0 h VAL 13 N 0.13 0.80 0.00 3.13 3.04 -1.96 -1.66 116.25 119.73 1ws0 h VAL 13 Ca 0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.69 1ws0 h VAL 13 Cb 0.20 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1ws0 h VAL 13 CO 0.01 0.00 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.34 1ws0 h LEU 14 N 0.00 0.00 -2.92 3.16 3.38 -1.73 -2.75 115.31 114.45 1ws0 h LEU 14 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ws0 h LEU 14 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ws0 h LEU 14 CO -0.00 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.07 1ws0 n GLU 15 N -3.39 3.01 -3.29 1.13 1.02 -0.64 -4.44 120.64 114.04 1ws0 n GLU 15 Ca -0.00 -2.52 -0.39 0.00 -0.02 0.00 0.00 57.16 54.22 1ws0 n GLU 15 Cb 0.36 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 1ws0 n GLU 15 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ws0 s THR 16 N -1.31 5.11 0.48 2.62 2.01 -1.04 -4.63 115.64 118.89 1ws0 s THR 16 Ca 0.40 0.78 -0.24 0.00 0.31 0.00 0.00 61.69 62.95 1ws0 s THR 16 Cb 0.23 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1ws0 s THR 16 CO 0.24 0.12 1.34 -2.16 -0.69 0.00 0.00 174.62 173.47 1ws0 s PRO 17 N 2.13 3.52 0.15 4.92 0.04 -1.26 -3.95 135.00 140.55 1ws0 s PRO 17 Ca 0.19 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 1ws0 s PRO 17 Cb -0.16 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1ws0 s PRO 17 CO 0.09 -0.87 0.45 0.00 0.04 0.00 0.00 177.00 176.70 1ws0 s GLU 19 N -2.46 4.10 0.52 0.00 0.41 -0.59 -4.66 118.70 116.02 1ws0 s GLU 19 Ca 0.41 1.02 -0.21 0.00 -0.41 0.00 0.00 54.97 55.78 1ws0 s GLU 19 Cb -0.12 -2.18 -0.06 0.00 -1.78 0.00 0.00 34.13 29.99 1ws0 s GLU 19 CO 0.21 -0.12 1.18 1.03 -0.49 0.00 0.00 175.26 177.08 1ws0 s ARG 20 N -3.53 3.40 0.05 1.61 0.52 -1.26 -0.95 118.95 118.79 1ws0 s ARG 20 Ca 0.60 1.76 -0.30 0.00 -0.52 0.00 0.00 55.73 57.27 1ws0 s ARG 20 Cb -0.09 -2.15 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1ws0 s ARG 20 CO 0.21 -0.84 1.09 0.08 0.02 0.00 0.00 175.30 175.85 1ws0 s VAL 21 N -1.62 4.38 -0.06 3.52 1.01 -1.26 -4.81 120.40 121.56 1ws0 s VAL 21 Ca 0.70 1.75 0.04 0.00 0.00 0.00 0.00 61.98 64.48 1ws0 s VAL 21 Cb -0.28 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1ws0 s VAL 21 CO 0.32 0.16 0.00 -0.38 0.00 0.00 0.00 175.10 175.21 1ws0 n ILE 22 N 3.70 0.43 -3.77 2.22 5.41 -1.26 -4.95 119.36 121.14 1ws0 n ILE 22 Ca 0.07 -0.24 -0.37 0.00 1.00 0.00 0.00 62.75 63.21 1ws0 n ILE 22 Cb 0.48 -0.82 -0.13 0.00 -0.71 0.00 0.00 39.64 38.46 1ws0 n ILE 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1ws0 s ASN 23 N -3.99 5.05 -1.12 4.38 0.01 -1.26 -5.01 114.94 113.00 1ws0 s ASN 23 Ca -0.05 -0.50 -0.10 0.00 -0.71 0.00 0.00 52.86 51.50 1ws0 s ASN 23 Cb 0.02 -1.88 0.26 0.00 0.41 0.00 0.00 41.25 40.06 1ws0 s ASN 23 CO 0.24 -0.12 1.15 -0.36 -1.51 0.00 0.00 177.10 176.49 1ws0 s PHE 24 N 1.54 4.17 0.27 2.20 0.40 -1.26 -4.84 117.98 120.45 1ws0 s PHE 24 Ca 0.04 -2.61 0.02 0.00 -0.60 0.00 0.00 56.93 53.78 1ws0 s PHE 24 Cb -0.16 -3.90 0.02 0.00 0.51 0.00 0.00 43.02 39.48 1ws0 s PHE 24 CO 0.02 -1.01 0.14 -0.40 0.70 0.00 0.00 175.22 174.67 1ws0 n ASP 25 N 3.10 2.11 0.23 1.36 5.68 -1.26 -4.89 116.55 122.87 1ws0 n ASP 25 Ca 0.25 -1.99 0.07 0.00 -0.50 0.00 0.00 54.79 52.63 1ws0 n ASP 25 Cb 0.40 0.04 0.54 0.00 -1.14 0.00 0.00 41.12 40.96 1ws0 n ASP 25 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ws0 h LYS 26 N 0.00 0.00 -0.09 0.11 6.56 -1.97 -2.36 116.57 118.82 1ws0 h LYS 26 Ca -0.18 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.27 1ws0 h LYS 26 Cb 0.63 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1ws0 h LYS 26 CO 0.29 0.21 -0.56 -0.22 -2.06 0.00 0.00 179.45 177.12 1ws0 h LYS 27 N 0.00 0.28 -0.24 3.15 3.64 -1.96 -1.01 116.57 120.44 1ws0 h LYS 27 Ca -0.00 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1ws0 h LYS 27 Cb 0.42 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1ws0 h LYS 27 CO 0.03 0.77 -0.10 1.25 -2.27 0.00 0.00 179.45 179.12 1ws0 h LEU 28 N 0.22 0.50 -0.59 5.20 5.85 -1.77 -0.69 115.31 124.03 1ws0 h LEU 28 Ca 0.00 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1ws0 h LEU 28 Cb 1.05 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1ws0 h LEU 28 CO 0.09 0.79 0.28 0.58 -0.34 0.00 0.00 178.44 179.83 1ws0 h VAL 29 N 0.21 1.21 -0.56 1.05 2.07 -1.24 -1.32 116.25 117.67 1ws0 h VAL 29 Ca 0.06 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1ws0 h VAL 29 Cb 0.59 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ws0 h VAL 29 CO 0.03 0.24 0.09 0.50 0.02 0.00 0.00 177.57 178.45 1ws0 h LYS 30 N 0.80 0.89 -0.28 1.57 3.64 -1.09 -1.11 116.57 121.01 1ws0 h LYS 30 Ca 0.20 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1ws0 h LYS 30 Cb 0.13 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1ws0 h LYS 30 CO -0.02 0.84 0.12 1.25 -2.27 0.00 0.00 179.45 179.37 1ws0 h LEU 31 N 0.85 0.17 -0.65 5.20 5.85 -0.67 0.21 115.31 126.27 1ws0 h LEU 31 Ca 0.18 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1ws0 h LEU 31 Cb 0.38 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ws0 h LEU 31 CO 0.01 0.14 0.14 -0.07 -0.34 0.00 0.00 178.44 178.31 1ws0 h LEU 32 N 0.27 1.00 -0.34 2.25 3.38 -0.92 0.42 115.31 121.38 1ws0 h LEU 32 Ca 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1ws0 h LEU 32 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ws0 h LEU 32 CO -0.09 0.99 0.11 0.11 0.09 0.00 0.00 178.44 179.64 1ws0 h LYS 33 N 0.98 0.52 -0.62 1.13 1.57 -0.94 -1.38 116.57 117.83 1ws0 h LYS 33 Ca 0.20 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1ws0 h LYS 33 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1ws0 h LYS 33 CO 0.01 0.55 0.10 -0.44 -0.57 0.00 0.00 179.45 179.10 1ws0 h ASP 34 N 0.39 0.96 -0.51 0.86 3.32 -0.76 -2.91 116.42 117.77 1ws0 h ASP 34 Ca 0.11 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1ws0 h ASP 34 Cb 0.25 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1ws0 h ASP 34 CO -0.00 0.96 0.25 0.24 -1.72 0.00 0.00 179.24 178.96 1ws0 h MET 35 N 0.95 0.73 -0.52 3.56 2.86 -0.68 -0.90 114.93 120.93 1ws0 h MET 35 Ca 0.19 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1ws0 h MET 35 Cb 0.41 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1ws0 h MET 35 CO 0.01 0.60 0.23 1.25 1.06 0.00 0.00 176.91 180.06 1ws0 h HIS 36 N 0.67 0.78 -0.06 -0.22 -0.00 -1.09 0.14 115.15 115.37 1ws0 h HIS 36 Ca 0.17 -0.05 -0.22 0.00 -0.00 0.00 0.00 60.37 60.28 1ws0 h HIS 36 Cb 0.11 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1ws0 h HIS 36 CO -0.01 0.63 -0.85 0.93 -0.00 0.00 0.00 177.93 178.64 1ws0 h GLU 37 N 0.70 0.54 -0.62 5.26 4.39 -1.49 -2.11 114.58 121.24 1ws0 h GLU 37 Ca 0.18 -0.50 0.03 0.00 0.34 0.00 0.00 59.36 59.41 1ws0 h GLU 37 Cb 0.17 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1ws0 h GLU 37 CO -0.02 1.13 0.38 1.15 -1.16 0.00 0.00 179.01 180.48 1ws0 h THR 38 N 0.34 1.06 -0.14 1.13 2.02 -0.95 0.85 112.91 117.22 1ws0 h THR 38 Ca -0.06 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1ws0 h THR 38 Cb 1.46 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1ws0 h THR 38 CO 0.16 0.13 0.06 -0.03 0.37 0.00 0.00 175.52 176.21 1ws0 h MET 39 N 0.74 0.13 -0.42 6.66 1.85 -0.58 -2.45 114.93 120.85 1ws0 h MET 39 Ca 0.25 -0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 59.21 1ws0 h MET 39 Cb 0.04 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1ws0 h MET 39 CO -0.11 0.08 -0.23 -0.07 -0.40 0.00 0.00 176.91 176.18 1ws0 h LEU 40 N 0.13 0.88 -1.70 3.39 3.38 -1.05 -0.27 115.31 120.06 1ws0 h LEU 40 Ca 0.06 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ws0 h LEU 40 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ws0 h LEU 40 CO -0.05 1.07 0.18 0.40 0.09 0.00 0.00 178.44 180.13 1ws0 h ILE 41 N 0.74 1.08 -0.19 1.22 2.04 -0.72 -0.13 117.51 121.55 1ws0 h ILE 41 Ca 0.10 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1ws0 h ILE 41 Cb 0.77 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1ws0 h ILE 41 CO 0.06 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1ws0 n ALA 42 N -2.49 2.51 -2.85 1.87 0.00 -0.93 -4.92 120.51 113.70 1ws0 n ALA 42 Ca 0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 1ws0 n ALA 42 Cb 0.08 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.48 1ws0 n ALA 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ws0 n ASP 43 N 0.21 -5.53 -4.97 0.00 4.64 -0.06 -5.02 116.55 105.82 1ws0 n ASP 43 Ca 0.14 -0.22 -0.21 0.00 -1.38 0.00 0.00 54.79 53.12 1ws0 n ASP 43 Cb 0.27 -4.40 -0.01 0.00 -1.04 0.00 0.00 41.12 35.94 1ws0 n ASP 43 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1ws0 s GLY 44 N -2.68 1.33 0.00 0.27 0.00 -0.15 -5.02 107.32 101.08 1ws0 s GLY 44 Ca 0.23 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 43.79 1ws0 s GLY 44 CO 0.29 -1.23 0.44 3.33 0.00 0.00 0.00 173.10 175.92 1ws0 n VAL 45 N -1.53 0.00 -3.81 1.40 0.24 -1.26 -4.40 118.33 108.97 1ws0 n VAL 45 Ca -0.06 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 1ws0 n VAL 45 Cb 0.57 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.87 1ws0 n VAL 45 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ws0 s GLY 46 N -1.80 -0.07 -0.19 7.63 0.00 -1.26 -0.58 107.32 111.06 1ws0 s GLY 46 Ca 0.04 0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 1ws0 s GLY 46 CO 0.36 -0.05 0.49 -2.27 0.00 0.00 0.00 173.10 171.64 1ws0 s LEU 47 N -1.35 -0.05 0.13 0.66 2.96 -0.55 -4.83 118.68 115.65 1ws0 s LEU 47 Ca -0.14 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.89 1ws0 s LEU 47 Cb -0.06 1.68 -0.04 0.00 0.50 0.00 0.00 46.19 48.27 1ws0 s LEU 47 CO 0.03 -0.18 -0.17 0.00 -1.32 0.00 0.00 176.35 174.71 1ws0 s ALA 48 N 0.69 2.72 0.29 5.97 0.00 -1.26 -1.03 121.76 129.14 1ws0 s ALA 48 Ca -0.03 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1ws0 s ALA 48 Cb -0.05 -0.65 0.62 0.00 0.00 0.00 0.00 23.12 23.05 1ws0 s ALA 48 CO -0.05 0.56 1.79 0.00 0.00 0.00 0.00 175.76 178.07 1ws0 h ALA 49 N 3.55 1.52 -0.00 0.00 0.00 -1.03 -0.51 119.26 122.79 1ws0 h ALA 49 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ws0 h ALA 49 Cb 1.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ws0 h ALA 49 CO 0.48 0.04 0.01 -1.00 0.00 0.00 0.00 179.25 178.77 1ws0 h PRO 50 N 0.81 0.00 0.00 0.00 0.13 -1.58 -0.04 132.00 131.32 1ws0 h PRO 50 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 1ws0 h PRO 50 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1ws0 h PRO 50 CO -0.34 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.39 1ws0 h GLN 51 N 0.00 0.00 -0.15 0.86 4.20 -1.37 -1.35 115.11 117.30 1ws0 h GLN 51 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1ws0 h GLN 51 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1ws0 h GLN 51 CO -0.00 0.00 -0.12 1.33 -0.67 0.00 0.00 178.83 179.37 1ws0 n VAL 52 N -2.31 2.21 -1.04 -0.54 0.24 -0.14 0.19 118.33 116.94 1ws0 n VAL 52 Ca 0.03 -2.50 -0.01 0.00 -2.04 0.00 0.00 64.34 59.81 1ws0 n VAL 52 Cb 0.27 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.37 1ws0 n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ws0 n GLY 53 N -1.08 0.51 3.18 7.63 0.00 -0.51 -4.92 105.19 110.01 1ws0 n GLY 53 Ca 0.22 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1ws0 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws0 s VAL 54 N -2.01 2.72 -1.46 1.61 1.01 -0.52 -4.97 120.40 116.78 1ws0 s VAL 54 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1ws0 s VAL 54 Cb 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ws0 s VAL 54 CO 0.00 0.25 2.56 -1.20 0.00 0.00 0.00 175.10 176.71 1ws0 n SER 55 N 4.65 7.72 -4.31 3.32 7.64 -1.26 -1.74 113.62 129.64 1ws0 n SER 55 Ca -0.17 -2.88 -0.22 0.00 1.01 0.00 0.00 58.87 56.61 1ws0 n SER 55 Cb 0.47 -1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.08 1ws0 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ws0 s LEU 56 N -0.62 2.40 -1.32 -3.43 1.43 -1.26 -1.55 118.68 114.33 1ws0 s LEU 56 Ca 0.59 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1ws0 s LEU 56 Cb 0.17 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.66 1ws0 s LEU 56 CO -0.07 -0.03 1.79 0.00 0.23 0.00 0.00 176.35 178.27 1ws0 n GLN 57 N 0.51 3.17 -3.82 1.70 6.02 -0.13 -4.55 117.38 120.28 1ws0 n GLN 57 Ca -0.15 -3.23 -0.17 0.00 -0.01 0.00 0.00 57.00 53.44 1ws0 n GLN 57 Cb 0.56 -3.43 -0.17 0.00 1.02 0.00 0.00 30.24 28.23 1ws0 n GLN 57 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ws0 s VAL 58 N 3.84 0.05 0.16 5.09 1.01 -1.26 -0.83 120.40 128.47 1ws0 s VAL 58 Ca 0.52 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1ws0 s VAL 58 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1ws0 s VAL 58 CO 0.05 0.14 0.26 0.00 0.00 0.00 0.00 175.10 175.55 1ws0 s ALA 59 N 1.31 0.11 -0.00 5.51 0.00 -0.56 -0.49 121.76 127.64 1ws0 s ALA 59 Ca -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1ws0 s ALA 59 Cb -0.13 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1ws0 s ALA 59 CO -0.03 -0.63 0.05 0.54 0.00 0.00 0.00 175.76 175.70 1ws0 s VAL 60 N -3.98 0.06 0.07 0.00 0.11 -0.19 -0.89 120.40 115.58 1ws0 s VAL 60 Ca 0.18 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 1ws0 s VAL 60 Cb 0.04 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ws0 s VAL 60 CO 0.00 -0.28 -0.11 0.68 -3.33 0.00 0.00 175.10 172.07 1ws0 s VAL 61 N -0.86 0.89 -0.32 2.04 -7.23 -0.72 -1.48 120.40 112.71 1ws0 s VAL 61 Ca -0.10 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1ws0 s VAL 61 Cb -0.06 -1.08 0.19 0.00 0.56 0.00 0.00 36.38 35.99 1ws0 s VAL 61 CO 0.00 -0.41 0.58 -0.62 -0.31 0.00 0.00 175.10 174.34 1ws0 s ASP 62 N -2.01 -1.38 0.00 4.85 -1.08 0.26 -0.93 116.67 116.37 1ws0 s ASP 62 Ca -0.01 -0.11 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1ws0 s ASP 62 Cb -0.07 1.91 0.00 0.00 -1.46 0.00 0.00 42.92 43.30 1ws0 s ASP 62 CO 0.01 -0.28 0.00 1.33 0.52 0.00 0.00 175.17 176.75 1ws0 n VAL 63 N 5.17 0.00 -2.62 1.11 0.24 -1.26 -4.66 118.33 116.31 1ws0 n VAL 63 Ca 0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.04 1ws0 n VAL 63 Cb 0.54 -0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 1ws0 n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ws0 s ASP 64 N -0.52 6.79 0.20 -1.34 1.01 -1.26 -4.90 116.67 116.64 1ws0 s ASP 64 Ca 0.00 1.64 -0.03 0.00 0.71 0.00 0.00 52.55 54.87 1ws0 s ASP 64 Cb 0.00 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.53 1ws0 s ASP 64 CO 0.00 -0.47 1.53 0.44 0.21 0.00 0.00 175.17 176.88 1ws0 h ASP 65 N 1.45 0.64 0.19 0.27 3.32 -1.96 0.68 116.42 121.00 1ws0 h ASP 65 Ca -0.48 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.24 1ws0 h ASP 65 Cb 1.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1ws0 h ASP 65 CO 0.61 1.03 -0.09 -2.24 -1.72 0.00 0.00 179.24 176.83 1ws0 h ASP 66 N 0.46 -0.21 0.55 6.45 2.03 -2.05 -3.16 116.42 120.48 1ws0 h ASP 66 Ca 0.02 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 1ws0 h ASP 66 Cb 1.03 0.06 0.01 0.00 -0.83 0.00 0.00 39.33 39.59 1ws0 h ASP 66 CO 0.10 -0.11 -0.27 0.74 -1.03 0.00 0.00 179.24 178.67 1ws0 h THR 67 N -0.30 0.00 0.00 1.15 2.02 -1.96 -3.49 112.91 110.33 1ws0 h THR 67 Ca -0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ws0 h THR 67 Cb 0.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1ws0 h THR 67 CO 0.04 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1ws0 n GLY 68 N -0.54 -1.65 3.71 2.16 0.00 0.24 -4.91 105.19 104.20 1ws0 n GLY 68 Ca -0.09 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1ws0 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ws0 s LYS 69 N 0.00 4.37 -0.26 1.61 2.20 -1.26 -4.31 119.74 122.09 1ws0 s LYS 69 Ca 0.00 1.94 0.02 0.00 -0.36 0.00 0.00 55.97 57.56 1ws0 s LYS 69 Cb 0.00 -3.30 0.07 0.00 -1.51 0.00 0.00 37.83 33.09 1ws0 s LYS 69 CO 0.00 -0.36 -0.04 0.42 -0.36 0.00 0.00 175.35 175.01 1ws0 s ILE 70 N 1.12 1.73 -0.00 5.43 1.01 -0.11 -5.00 121.20 125.37 1ws0 s ILE 70 Ca 0.62 -1.47 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1ws0 s ILE 70 Cb -0.33 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1ws0 s ILE 70 CO 0.30 -0.19 0.55 -1.61 0.00 0.00 0.00 174.94 173.99 1ws0 s GLU 71 N 1.28 4.24 -0.15 2.79 2.02 -1.26 -1.76 118.70 125.86 1ws0 s GLU 71 Ca -0.03 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.61 1ws0 s GLU 71 Cb -0.19 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.75 1ws0 s GLU 71 CO -0.07 0.44 -0.13 -0.51 0.02 0.00 0.00 175.26 175.01 1ws0 s LEU 72 N -0.41 1.67 -0.07 1.80 1.43 -0.07 -4.81 118.68 118.22 1ws0 s LEU 72 Ca 0.29 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1ws0 s LEU 72 Cb -0.18 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1ws0 s LEU 72 CO 0.16 -0.07 -0.20 -0.63 0.23 0.00 0.00 176.35 175.84 1ws0 s ILE 73 N 1.50 2.50 -1.50 -0.59 1.01 -0.65 -1.49 121.20 121.97 1ws0 s ILE 73 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1ws0 s ILE 73 Cb -0.13 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.43 1ws0 s ILE 73 CO -0.10 0.56 0.54 0.59 0.00 0.00 0.00 174.94 176.53 1ws0 n ASN 74 N 2.96 -1.37 -4.77 3.58 3.02 -0.01 -0.12 115.26 118.55 1ws0 n ASN 74 Ca -0.18 -1.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.01 1ws0 n ASN 74 Cb 0.52 -2.98 -0.01 0.00 -0.61 0.00 0.00 39.78 36.70 1ws0 n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ws0 s PRO 75 N -6.69 3.70 0.02 3.52 0.04 -1.26 -4.57 135.00 129.76 1ws0 s PRO 75 Ca 0.25 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1ws0 s PRO 75 Cb -0.13 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1ws0 s PRO 75 CO 0.90 -0.58 -0.03 -1.54 0.04 0.00 0.00 177.00 175.79 1ws0 s SER 76 N -1.52 0.25 -0.26 6.66 1.04 0.34 -4.99 113.70 115.22 1ws0 s SER 76 Ca 0.65 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.53 1ws0 s SER 76 Cb -0.26 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1ws0 s SER 76 CO 0.31 -0.24 0.36 -0.63 0.98 0.00 0.00 173.24 174.02 1ws0 s ILE 77 N -1.18 5.19 -0.09 -1.02 1.01 -1.26 -1.03 121.20 122.82 1ws0 s ILE 77 Ca -0.13 0.55 0.15 0.00 0.00 0.00 0.00 60.65 61.23 1ws0 s ILE 77 Cb -0.08 -3.68 -0.18 0.00 0.01 0.00 0.00 42.46 38.52 1ws0 s ILE 77 CO -0.01 0.19 0.74 0.18 0.00 0.00 0.00 174.94 176.04 1ws0 n LEU 78 N 5.12 0.86 -3.72 2.97 4.77 0.72 -4.96 117.00 122.77 1ws0 n LEU 78 Ca -0.09 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1ws0 n LEU 78 Cb 0.51 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1ws0 n LEU 78 CO 0.37 0.26 0.11 -1.61 -1.33 0.00 0.00 177.39 175.19 1ws0 s GLU 79 N -2.77 0.66 -0.00 3.23 0.41 -1.13 -4.96 118.70 114.14 1ws0 s GLU 79 Ca -0.04 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 1ws0 s GLU 79 Cb 0.08 0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.74 1ws0 s GLU 79 CO 0.82 -0.16 -0.01 0.15 -0.49 0.00 0.00 175.26 175.57 1ws0 s LYS 80 N -0.74 0.11 -0.05 1.61 1.02 -1.26 -1.05 119.74 119.38 1ws0 s LYS 80 Ca -0.08 -0.02 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 1ws0 s LYS 80 Cb -0.04 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.14 1ws0 s LYS 80 CO 0.04 -0.00 0.17 1.03 -0.92 0.00 0.00 175.35 175.66 1ws0 s ARG 81 N 0.15 0.28 0.16 1.68 1.81 -0.26 -5.00 118.95 117.77 1ws0 s ARG 81 Ca -0.01 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.08 1ws0 s ARG 81 Cb -0.03 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 1ws0 s ARG 81 CO -0.00 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 174.98 1ws0 n GLY 82 N 2.59 -2.06 3.04 -3.53 0.00 -1.26 -0.80 105.19 103.18 1ws0 n GLY 82 Ca -0.15 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 1ws0 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ws0 s GLU 83 N -2.25 0.47 -0.04 1.61 2.02 -1.26 -1.95 118.70 117.30 1ws0 s GLU 83 Ca 0.00 -0.88 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 1ws0 s GLU 83 Cb 0.00 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.33 1ws0 s GLU 83 CO 0.00 -0.06 0.11 1.14 0.02 0.00 0.00 175.26 176.47 1ws0 s GLN 84 N -2.48 0.13 -0.07 1.61 -2.07 -0.18 -4.57 119.66 112.02 1ws0 s GLN 84 Ca -0.06 0.14 0.04 0.00 -1.82 0.00 0.00 55.36 53.67 1ws0 s GLN 84 Cb -0.03 0.06 -0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1ws0 s GLN 84 CO -0.04 -0.02 -0.21 0.08 -1.32 0.00 0.00 175.29 173.79 1ws0 s VAL 85 N 0.05 1.75 0.00 3.63 1.01 -1.26 -1.16 120.40 124.42 1ws0 s VAL 85 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1ws0 s VAL 85 Cb -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1ws0 s VAL 85 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1ws0 n GLY 86 N 3.34 -1.02 3.77 4.51 0.00 -1.14 -4.99 105.19 109.66 1ws0 n GLY 86 Ca -0.19 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1ws0 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ws0 s PRO 87 N -2.00 3.99 0.01 1.61 0.04 -1.26 -1.16 135.00 136.23 1ws0 s PRO 87 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ws0 s PRO 87 Cb 0.00 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1ws0 s PRO 87 CO 0.00 -0.38 -0.02 -2.00 0.04 0.00 0.00 177.00 174.65 1ws0 s GLU 88 N -2.38 0.14 0.24 4.56 2.12 -0.05 -4.87 118.70 118.47 1ws0 s GLU 88 Ca 0.58 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1ws0 s GLU 88 Cb -0.31 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.04 1ws0 s GLU 88 CO 0.38 0.00 0.11 0.41 -0.54 0.00 0.00 175.26 175.63 1ws0 n GLY 89 N 2.68 3.52 3.64 -1.50 0.00 -1.26 -1.52 105.19 110.74 1ws0 n GLY 89 Ca -0.15 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 1ws0 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws0 h LEU 91 N 6.11 0.00 -0.07 0.00 3.38 -1.97 0.07 115.31 122.83 1ws0 h LEU 91 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ws0 h LEU 91 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ws0 h LEU 91 CO 0.13 0.00 -0.09 -1.20 0.09 0.00 0.00 178.44 177.37 1ws0 n SER 92 N -3.21 0.21 -3.39 -0.43 7.64 -1.26 -4.05 113.62 109.12 1ws0 n SER 92 Ca -0.03 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.48 1ws0 n SER 92 Cb 0.07 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 1ws0 n SER 92 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ws0 n PHE 93 N -1.27 1.56 -1.64 1.43 3.01 0.01 0.79 117.46 121.36 1ws0 n PHE 93 Ca 0.11 -3.85 -0.52 0.00 1.01 0.00 0.00 57.45 54.20 1ws0 n PHE 93 Cb 0.29 -0.39 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 1ws0 n PHE 93 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1ws0 n PRO 94 N 1.43 1.36 -0.89 -1.08 -0.04 -1.25 -1.46 135.00 133.07 1ws0 n PRO 94 Ca 0.25 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1ws0 n PRO 94 Cb 0.46 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1ws0 n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ws0 n GLY 95 N 3.18 0.68 3.65 0.55 0.00 -1.26 -5.00 105.19 106.99 1ws0 n GLY 95 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1ws0 n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ws0 s LEU 96 N 0.00 4.12 -0.01 0.99 2.96 -0.53 -5.07 118.68 121.14 1ws0 s LEU 96 Ca 0.00 0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1ws0 s LEU 96 Cb 0.00 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 1ws0 s LEU 96 CO 0.00 -0.10 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.53 1ws0 s TYR 97 N 1.52 0.82 0.09 5.38 1.51 -1.26 -4.26 117.35 121.15 1ws0 s TYR 97 Ca 0.17 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1ws0 s TYR 97 Cb -0.15 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1ws0 s TYR 97 CO 0.08 -0.03 0.13 0.20 -1.11 0.00 0.00 175.55 174.83 1ws0 s GLY 98 N -0.15 0.30 -0.02 0.71 0.00 -0.58 -3.57 107.32 104.01 1ws0 s GLY 98 Ca 0.03 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 1ws0 s GLY 98 CO -0.00 -0.98 0.90 1.85 0.00 0.00 0.00 173.10 174.86 1ws0 s GLU 99 N -3.90 4.52 -0.02 2.90 2.12 0.46 -0.87 118.70 123.90 1ws0 s GLU 99 Ca 0.08 1.26 0.02 0.00 0.36 0.00 0.00 54.97 56.69 1ws0 s GLU 99 Cb 0.06 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1ws0 s GLU 99 CO -0.09 -0.03 -0.07 0.08 -0.54 0.00 0.00 175.26 174.62 1ws0 s VAL 100 N 0.99 0.62 -0.14 3.70 1.01 -0.31 -1.28 120.40 124.99 1ws0 s VAL 100 Ca 0.47 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1ws0 s VAL 100 Cb -0.20 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1ws0 s VAL 100 CO 0.25 0.20 0.40 -0.70 0.00 0.00 0.00 175.10 175.25 1ws0 s GLU 101 N 0.25 4.31 0.20 2.72 2.12 -1.26 -2.89 118.70 124.15 1ws0 s GLU 101 Ca -0.03 0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.64 1ws0 s GLU 101 Cb -0.08 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1ws0 s GLU 101 CO 0.00 0.19 -0.04 1.03 -0.54 0.00 0.00 175.26 175.90 1ws0 s ARG 102 N 0.57 1.22 0.60 4.30 1.81 -0.31 -4.97 118.95 122.17 1ws0 s ARG 102 Ca 0.22 -1.58 -0.19 0.00 -1.72 0.00 0.00 55.73 52.46 1ws0 s ARG 102 Cb -0.14 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.74 1ws0 s ARG 102 CO 0.08 -0.04 1.24 0.00 -0.68 0.00 0.00 175.30 175.90 1ws0 s ALA 103 N -3.41 2.53 -0.07 2.13 0.00 -1.26 -1.01 121.76 120.66 1ws0 s ALA 103 Ca 0.24 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.30 1ws0 s ALA 103 Cb 0.05 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.42 1ws0 s ALA 103 CO 0.05 -1.29 0.55 0.22 0.00 0.00 0.00 175.76 175.30 1ws0 h ASP 104 N 0.87 0.27 -4.19 0.00 3.58 -1.20 -3.42 116.42 112.34 1ws0 h ASP 104 Ca -0.51 -0.55 -0.69 0.00 0.42 0.00 0.00 57.03 55.70 1ws0 h ASP 104 Cb 1.31 -0.09 -0.27 0.00 1.72 0.00 0.00 39.33 42.00 1ws0 h ASP 104 CO 0.55 1.49 -0.83 -0.47 -2.88 0.00 0.00 179.24 177.10 1ws0 s TYR 105 N -2.58 2.54 0.04 0.28 5.04 0.02 -1.35 117.35 121.34 1ws0 s TYR 105 Ca -0.14 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.13 1ws0 s TYR 105 Cb 0.07 -1.59 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 1ws0 s TYR 105 CO 0.80 0.02 -0.05 0.96 -1.34 0.00 0.00 175.55 175.95 1ws0 s ILE 106 N -0.54 0.28 -0.15 3.14 -4.36 0.00 -1.11 121.20 118.48 1ws0 s ILE 106 Ca 0.07 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.34 1ws0 s ILE 106 Cb -0.11 -0.61 0.01 0.00 1.25 0.00 0.00 42.46 42.99 1ws0 s ILE 106 CO 0.01 -0.56 -0.19 -0.75 0.24 0.00 0.00 174.94 173.69 1ws0 s LYS 107 N -1.97 3.09 -0.02 0.37 2.20 -0.22 -1.42 119.74 121.79 1ws0 s LYS 107 Ca -0.10 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 1ws0 s LYS 107 Cb -0.07 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 1ws0 s LYS 107 CO -0.02 -0.02 -0.23 0.08 -0.36 0.00 0.00 175.35 174.79 1ws0 s VAL 108 N 0.86 2.28 -0.15 4.02 1.01 0.18 -0.20 120.40 128.41 1ws0 s VAL 108 Ca -0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1ws0 s VAL 108 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1ws0 s VAL 108 CO -0.02 0.55 -0.10 -0.60 0.00 0.00 0.00 175.10 174.93 1ws0 s ARG 109 N -0.73 3.42 0.30 2.72 3.52 -0.20 -0.28 118.95 127.71 1ws0 s ARG 109 Ca 0.11 -0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 1ws0 s ARG 109 Cb -0.10 -2.73 0.02 0.00 -1.56 0.00 0.00 34.95 30.58 1ws0 s ARG 109 CO -0.00 0.15 0.64 0.00 -0.81 0.00 0.00 175.30 175.28 1ws0 s ALA 110 N 0.53 -0.63 0.18 6.12 0.00 -0.85 -0.50 121.76 126.59 1ws0 s ALA 110 Ca -0.07 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1ws0 s ALA 110 Cb -0.15 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1ws0 s ALA 110 CO 0.04 -0.95 -0.04 -0.65 0.00 0.00 0.00 175.76 174.16 1ws0 s GLN 111 N -3.49 2.28 0.46 0.00 -0.21 0.83 -0.90 119.66 118.62 1ws0 s GLN 111 Ca 0.17 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.40 1ws0 s GLN 111 Cb -0.04 -2.29 0.09 0.00 1.00 0.00 0.00 33.01 31.78 1ws0 s GLN 111 CO 0.10 0.45 0.63 0.27 -2.12 0.00 0.00 175.29 174.62 1ws0 n ASN 112 N -0.05 1.03 -0.12 5.90 0.23 -0.28 -1.64 115.26 120.33 1ws0 n ASN 112 Ca -0.10 -1.83 0.26 0.00 -0.53 0.00 0.00 54.58 52.39 1ws0 n ASN 112 Cb 0.55 -0.39 0.72 0.00 -2.08 0.00 0.00 39.78 38.58 1ws0 n ASN 112 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1ws0 h ARG 113 N 0.00 0.00 -0.02 -3.83 3.08 -1.92 -0.26 114.38 111.43 1ws0 h ARG 113 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ws0 h ARG 113 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1ws0 h ARG 113 CO 0.24 0.00 -0.13 0.54 -1.07 0.00 0.00 179.97 179.55 1ws0 n ARG 114 N -4.19 1.48 -0.32 0.04 1.74 -1.26 -4.67 116.66 109.48 1ws0 n ARG 114 Ca 0.16 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 1ws0 n ARG 114 Cb 0.88 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1ws0 n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ws0 n GLY 115 N 1.28 0.74 3.74 -0.13 0.00 -0.11 -4.98 105.19 105.74 1ws0 n GLY 115 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ws0 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ws0 s LYS 116 N -0.68 4.72 -0.04 1.61 -0.14 -1.26 -4.72 119.74 119.23 1ws0 s LYS 116 Ca 0.00 1.59 -0.25 0.00 -1.36 0.00 0.00 55.97 55.94 1ws0 s LYS 116 Cb 0.00 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1ws0 s LYS 116 CO 0.00 0.29 0.78 0.08 -0.76 0.00 0.00 175.35 175.75 1ws0 s VAL 117 N -0.69 4.98 0.24 3.17 1.01 -1.26 -1.12 120.40 126.72 1ws0 s VAL 117 Ca 0.45 1.63 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1ws0 s VAL 117 Cb -0.27 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1ws0 s VAL 117 CO 0.34 0.23 -0.06 0.72 0.00 0.00 0.00 175.10 176.33 1ws0 s PHE 118 N 0.80 1.71 -0.07 5.22 -0.12 -0.08 -4.98 117.98 120.45 1ws0 s PHE 118 Ca 0.42 -0.76 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 1ws0 s PHE 118 Cb -0.19 -0.94 -0.02 0.00 -0.63 0.00 0.00 43.02 41.24 1ws0 s PHE 118 CO 0.21 0.16 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.84 1ws0 s LEU 119 N -3.35 2.39 -0.03 -1.99 1.43 -1.26 -2.01 118.68 113.86 1ws0 s LEU 119 Ca 0.27 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1ws0 s LEU 119 Cb 0.04 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1ws0 s LEU 119 CO 0.09 0.26 -0.05 -0.22 0.23 0.00 0.00 176.35 176.65 1ws0 s LEU 120 N -0.22 1.59 -0.09 1.79 2.96 0.62 -4.97 118.68 120.36 1ws0 s LEU 120 Ca -0.01 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1ws0 s LEU 120 Cb -0.13 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.13 1ws0 s LEU 120 CO 0.03 -0.00 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.36 1ws0 s GLU 121 N 0.50 2.99 0.05 1.98 2.02 -1.26 0.51 118.70 125.50 1ws0 s GLU 121 Ca -0.06 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 1ws0 s GLU 121 Cb -0.10 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 1ws0 s GLU 121 CO 0.00 0.50 0.11 0.00 0.02 0.00 0.00 175.26 175.89 1ws0 s ALA 122 N -0.38 -0.04 0.17 5.21 0.00 -0.50 -5.00 121.76 121.22 1ws0 s ALA 122 Ca 0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1ws0 s ALA 122 Cb -0.12 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1ws0 s ALA 122 CO 0.02 -0.38 0.11 -1.21 0.00 0.00 0.00 175.76 174.30 1ws0 s GLU 123 N -3.16 1.09 5.55 0.00 2.02 -1.26 -0.82 118.70 122.13 1ws0 s GLU 123 Ca -0.00 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1ws0 s GLU 123 Cb 0.02 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1ws0 s GLU 123 CO -0.07 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1ws0 n GLY 124 N -0.20 2.97 0.37 -1.39 0.00 -0.45 -2.45 105.19 104.03 1ws0 n GLY 124 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 1ws0 n GLY 124 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ws0 h PHE 125 N 0.00 1.14 -0.57 1.61 3.57 -1.98 0.80 116.94 121.51 1ws0 h PHE 125 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1ws0 h PHE 125 Cb 0.00 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 1ws0 h PHE 125 CO 0.00 0.72 0.07 1.25 -2.23 0.00 0.00 178.31 178.13 1ws0 h LEU 126 N 1.23 0.92 -0.98 0.59 5.85 -1.95 -0.24 115.31 120.74 1ws0 h LEU 126 Ca 0.33 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1ws0 h LEU 126 Cb -0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.62 1ws0 h LEU 126 CO -0.07 0.96 -0.11 0.00 -0.34 0.00 0.00 178.44 178.88 1ws0 h ALA 127 N 1.00 1.14 -0.16 1.25 0.00 -0.90 -1.51 119.26 120.08 1ws0 h ALA 127 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ws0 h ALA 127 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ws0 h ALA 127 CO 0.01 0.54 0.06 -0.09 0.00 0.00 0.00 179.25 179.78 1ws0 h ARG 128 N 0.57 0.24 -0.67 0.00 2.43 -0.49 -1.20 114.38 115.27 1ws0 h ARG 128 Ca 0.10 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1ws0 h ARG 128 Cb 0.53 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1ws0 h ARG 128 CO 0.03 0.32 0.41 0.00 -1.51 0.00 0.00 179.97 179.22 1ws0 h ALA 129 N 0.91 0.87 -0.46 2.80 0.00 -0.71 -1.37 119.26 121.29 1ws0 h ALA 129 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ws0 h ALA 129 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ws0 h ALA 129 CO -0.00 0.16 0.14 0.82 0.00 0.00 0.00 179.25 180.37 1ws0 h ILE 130 N 0.80 1.23 -0.87 0.00 2.04 -1.14 -0.50 117.51 119.08 1ws0 h ILE 130 Ca 0.27 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1ws0 h ILE 130 Cb 0.04 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1ws0 h ILE 130 CO -0.11 0.27 0.52 1.56 0.00 0.00 0.00 178.15 180.39 1ws0 h GLN 131 N 0.61 1.18 -0.43 2.37 4.20 -0.86 -0.84 115.11 121.34 1ws0 h GLN 131 Ca 0.15 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1ws0 h GLN 131 Cb 0.28 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ws0 h GLN 131 CO -0.00 0.83 0.16 1.25 -0.67 0.00 0.00 178.83 180.39 1ws0 h HIS 132 N 1.19 0.66 -0.21 2.96 2.76 -0.97 -1.52 115.15 120.02 1ws0 h HIS 132 Ca 0.31 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.29 1ws0 h HIS 132 Cb -0.05 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 1ws0 h HIS 132 CO -0.00 0.59 -0.45 0.93 -1.30 0.00 0.00 177.93 177.70 1ws0 h GLU 133 N 0.55 0.53 -0.65 5.26 4.39 -0.79 -2.59 114.58 121.28 1ws0 h GLU 133 Ca 0.14 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1ws0 h GLU 133 Cb 0.21 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1ws0 h GLU 133 CO -0.01 0.88 0.09 0.82 -1.16 0.00 0.00 179.01 179.63 1ws0 h ILE 134 N 0.43 1.26 -0.75 3.13 2.04 -1.04 -2.03 117.51 120.55 1ws0 h ILE 134 Ca 0.03 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 64.93 1ws0 h ILE 134 Cb 0.96 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1ws0 h ILE 134 CO 0.08 0.39 0.40 0.44 0.00 0.00 0.00 178.15 179.46 1ws0 h ASP 135 N 1.00 0.53 -0.94 1.72 3.32 -1.02 -0.99 116.42 120.04 1ws0 h ASP 135 Ca 0.19 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.47 1ws0 h ASP 135 Cb 0.46 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 1ws0 h ASP 135 CO 0.02 0.30 0.60 0.45 -1.72 0.00 0.00 179.24 178.88 1ws0 h HIS 136 N 0.66 0.83 0.00 4.55 3.86 -0.98 0.86 115.15 124.93 1ws0 h HIS 136 Ca 0.37 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1ws0 h HIS 136 Cb 0.38 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1ws0 h HIS 136 CO -0.09 0.25 0.00 1.28 0.86 0.00 0.00 177.93 180.23 1ws0 n LEU 137 N -4.60 0.37 -0.54 2.43 4.77 -0.38 -1.63 117.00 117.41 1ws0 n LEU 137 Ca 0.20 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.85 1ws0 n LEU 137 Cb 0.55 -0.57 0.18 0.00 -2.33 0.00 0.00 43.42 41.26 1ws0 n LEU 137 CO 0.27 -0.48 0.64 1.41 -1.33 0.00 0.00 177.39 177.90 1ws0 n HIS 138 N -1.92 0.52 -1.27 -1.77 8.25 0.18 -1.32 115.22 117.88 1ws0 n HIS 138 Ca 0.02 -0.80 -0.06 0.00 -0.26 0.00 0.00 57.72 56.63 1ws0 n HIS 138 Cb 0.17 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1ws0 n HIS 138 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ws0 n GLY 139 N -0.56 0.74 3.58 -1.41 0.00 -0.64 -4.33 105.19 102.56 1ws0 n GLY 139 Ca 0.16 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1ws0 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws0 s VAL 140 N -2.22 4.38 0.09 1.61 1.01 -0.49 -4.45 120.40 120.34 1ws0 s VAL 140 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1ws0 s VAL 140 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1ws0 s VAL 140 CO 0.00 0.48 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 1ws0 s LEU 141 N 0.31 3.60 0.57 3.92 1.43 -1.26 -2.92 118.68 124.32 1ws0 s LEU 141 Ca 0.00 -0.12 0.28 0.00 -1.03 0.00 0.00 54.13 53.26 1ws0 s LEU 141 Cb -0.13 -2.30 1.69 0.00 0.03 0.00 0.00 46.19 45.47 1ws0 s LEU 141 CO 0.01 0.17 2.19 2.19 0.23 0.00 0.00 176.35 181.14 1ws0 h PHE 142 N 3.31 0.00 -0.01 0.29 -5.15 -1.97 -1.32 116.94 112.09 1ws0 h PHE 142 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1ws0 h PHE 142 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.34 1ws0 h PHE 142 CO 0.61 0.04 0.01 1.79 -2.00 0.00 0.00 178.31 178.76 1ws0 h THR 143 N 0.00 0.42 0.00 0.88 1.35 -1.97 0.62 112.91 114.21 1ws0 h THR 143 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ws0 h THR 143 Cb 0.11 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1ws0 h THR 143 CO 0.01 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 1ws0 n SER 144 N -3.69 0.56 -0.08 5.36 3.41 -0.50 -3.38 113.62 115.30 1ws0 n SER 144 Ca -0.03 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1ws0 n SER 144 Cb 0.09 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.32 1ws0 n SER 144 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ws0 n LYS 145 N -2.07 0.43 -2.28 4.33 5.02 0.16 -5.02 118.16 118.73 1ws0 n LYS 145 Ca 0.04 -0.91 -0.41 0.00 -2.02 0.00 0.00 58.31 55.00 1ws0 n LYS 145 Cb 0.29 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 1ws0 n LYS 145 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ws0 s VAL 146 N -0.42 3.40 -0.13 -0.18 1.01 -0.91 -4.49 120.40 118.69 1ws0 s VAL 146 Ca 0.02 1.12 0.16 0.00 0.00 0.00 0.00 61.98 63.29 1ws0 s VAL 146 Cb 0.02 -3.72 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 1ws0 s VAL 146 CO 0.02 0.15 0.37 0.35 0.00 0.00 0.00 175.10 175.99 1ws0 n THR 147 N 2.90 1.40 -3.60 3.92 -2.24 -0.41 -4.98 114.28 111.27 1ws0 n THR 147 Ca 0.07 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1ws0 n THR 147 Cb 0.44 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1ws0 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ws0 s ARG 148 N -2.60 0.73 0.25 -0.78 1.70 -1.26 -5.01 118.95 111.97 1ws0 s ARG 148 Ca -0.07 0.59 0.01 0.00 -0.47 0.00 0.00 55.73 55.79 1ws0 s ARG 148 Cb 0.07 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1ws0 s ARG 148 CO 0.83 -0.14 0.43 0.71 -1.08 0.00 0.00 175.30 176.04 1ws0 s TYR 149 N -0.20 3.48 0.28 5.89 1.51 -1.26 -0.40 117.35 126.65 1ws0 s TYR 149 Ca -0.01 0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 56.18 1ws0 s TYR 149 Cb -0.03 -1.81 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1ws0 s TYR 149 CO 0.00 0.32 0.67 0.71 -1.11 0.00 0.00 175.55 176.14 1ws0 s TYR 150 N -2.01 3.41 -2.00 2.71 1.51 -1.23 -4.93 117.35 114.81 1ws0 s TYR 150 Ca 0.38 1.11 0.21 0.00 -1.01 0.00 0.00 57.07 57.76 1ws0 s TYR 150 Cb -0.10 -2.44 1.25 0.00 -0.11 0.00 0.00 41.96 40.56 1ws0 s TYR 150 CO 0.31 0.18 1.63 -0.85 -1.11 0.00 0.00 175.55 175.71