#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 s SER 3 N 0.00 7.08 0.40 3.54 0.01 -1.26 -5.06 113.70 118.42 2hw0 s SER 3 Ca 0.00 1.29 -0.24 0.00 1.31 0.00 0.00 55.95 58.31 2hw0 s SER 3 Cb 0.00 -2.38 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 2hw0 s SER 3 CO 0.00 0.22 1.04 -0.54 0.41 0.00 0.00 173.24 174.37 2hw0 s LYS 4 N -0.86 4.18 -0.40 12.44 1.02 -1.26 -4.94 119.74 129.92 2hw0 s LYS 4 Ca 0.30 1.48 -0.27 0.00 0.02 0.00 0.00 55.97 57.50 2hw0 s LYS 4 Cb -0.20 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 2hw0 s LYS 4 CO 0.19 -0.12 2.04 0.15 -0.92 0.00 0.00 175.35 176.69 2hw0 s LYS 5 N -2.53 2.86 0.41 1.68 -0.14 -1.26 -4.97 119.74 115.80 2hw0 s LYS 5 Ca 0.58 1.37 -0.07 0.00 -1.36 0.00 0.00 55.97 56.49 2hw0 s LYS 5 Cb -0.21 -4.36 -0.05 0.00 -1.68 0.00 0.00 37.83 31.53 2hw0 s LYS 5 CO 0.26 -2.43 0.72 -0.80 -0.76 0.00 0.00 175.35 172.35 2hw0 s ASN 6 N 8.38 6.39 -0.02 2.83 0.01 -1.26 -5.02 114.94 126.26 2hw0 s ASN 6 Ca 0.85 0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 53.63 2hw0 s ASN 6 Cb -0.21 -2.24 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 2hw0 s ASN 6 CO 0.29 -0.43 1.55 -0.83 -1.51 0.00 0.00 177.10 176.17 2hw0 s GLY 7 N -3.60 1.65 -0.44 0.66 0.00 -1.26 -4.92 107.32 99.41 2hw0 s GLY 7 Ca 0.48 0.95 0.09 0.00 0.00 0.00 0.00 44.72 46.24 2hw0 s GLY 7 CO 0.37 2.80 0.95 0.54 0.00 0.00 0.00 173.10 177.76 2hw0 n ARG 8 N 6.18 2.34 -2.28 2.90 1.74 -1.26 -5.09 116.66 121.19 2hw0 n ARG 8 Ca 0.15 -4.08 -0.24 0.00 -0.77 0.00 0.00 57.85 52.91 2hw0 n ARG 8 Cb 0.43 -1.90 0.14 0.00 -1.02 0.00 0.00 32.46 30.11 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2hw0 n SER 9 N -0.16 0.91 0.00 0.55 2.88 -1.26 -5.07 113.62 111.46 2hw0 n SER 9 Ca 0.27 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 2hw0 n SER 9 Cb 0.62 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hw0 n GLY 10 N -2.74 -0.12 3.77 0.46 0.00 -1.26 -4.90 105.19 100.41 2hw0 n GLY 10 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2hw0 n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hw0 s PRO 11 N -0.80 4.40 0.17 1.61 0.04 -1.26 -5.05 135.00 134.10 2hw0 s PRO 11 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2hw0 s PRO 11 Cb 0.00 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2hw0 s PRO 11 CO 0.00 -0.08 -0.15 1.14 0.04 0.00 0.00 177.00 177.95 2hw0 s GLN 12 N -1.76 1.20 0.56 4.56 0.00 -1.26 -5.08 119.66 117.88 2hw0 s GLN 12 Ca 0.49 -1.44 -0.19 0.00 -0.00 0.00 0.00 55.36 54.22 2hw0 s GLN 12 Cb -0.36 -1.05 -0.05 0.00 0.00 0.00 0.00 33.01 31.55 2hw0 s GLN 12 CO 0.47 0.19 1.13 -1.25 0.00 0.00 0.00 175.29 175.83 2hw0 s PRO 13 N -3.21 3.29 0.32 9.60 0.04 -1.26 -4.88 135.00 138.90 2hw0 s PRO 13 Ca 0.17 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2hw0 s PRO 13 Cb -0.03 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2hw0 s PRO 13 CO 0.05 -0.90 0.26 -1.01 0.04 0.00 0.00 177.00 175.44 2hw0 s HIS 14 N -1.83 1.70 -0.50 0.56 3.76 -0.45 -4.71 115.29 113.81 2hw0 s HIS 14 Ca 0.72 -1.63 0.16 0.00 -0.15 0.00 0.00 55.06 54.16 2hw0 s HIS 14 Cb -0.24 -0.71 0.70 0.00 1.11 0.00 0.00 32.58 33.45 2hw0 s HIS 14 CO 0.29 -0.84 1.62 0.36 -0.85 0.00 0.00 174.74 175.32 2hw0 n LYS 15 N -0.59 4.04 -3.74 1.40 0.00 -1.26 -2.32 118.16 115.68 2hw0 n LYS 15 Ca 0.07 -2.97 -0.16 0.00 -0.00 0.00 0.00 58.31 55.25 2hw0 n LYS 15 Cb 0.63 -2.02 -0.16 0.00 -0.00 0.00 0.00 35.03 33.47 2hw0 n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hw0 s ARG 16 N -2.45 -0.03 -0.15 -1.58 0.52 -1.26 -0.02 118.95 113.99 2hw0 s ARG 16 Ca 0.49 0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 55.85 2hw0 s ARG 16 Cb 0.36 -0.30 0.04 0.00 0.52 0.00 0.00 34.95 35.58 2hw0 s ARG 16 CO 0.17 -0.21 0.40 -1.58 0.02 0.00 0.00 175.30 174.09 2hw0 s TRP 17 N 1.39 -0.47 0.28 -0.53 0.52 -0.95 -4.34 118.94 114.83 2hw0 s TRP 17 Ca -0.05 1.11 0.09 0.00 0.02 0.00 0.00 56.10 57.26 2hw0 s TRP 17 Cb -0.13 0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 32.32 2hw0 s TRP 17 CO -0.04 -0.24 0.05 0.14 0.02 0.00 0.00 176.95 176.88 2hw0 s VAL 18 N 0.48 3.48 0.02 4.03 -7.23 0.77 -1.79 120.40 120.16 2hw0 s VAL 18 Ca -0.02 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2hw0 s VAL 18 Cb -0.04 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 2hw0 s VAL 18 CO -0.02 -0.33 -0.07 0.72 -0.31 0.00 0.00 175.10 175.08 2hw0 s PHE 19 N -2.32 0.64 -0.15 2.82 -0.71 -0.98 -1.85 117.98 115.42 2hw0 s PHE 19 Ca 0.33 -0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.86 2hw0 s PHE 19 Cb -0.06 -0.39 0.06 0.00 -1.21 0.00 0.00 43.02 41.42 2hw0 s PHE 19 CO 0.21 -0.04 0.34 0.95 -1.34 0.00 0.00 175.22 175.34 2hw0 s THR 20 N -0.70 -0.11 -0.01 -4.49 -4.23 -0.31 -2.62 115.64 103.17 2hw0 s THR 20 Ca -0.03 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.27 2hw0 s THR 20 CO 0.00 0.05 0.02 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.52 1.70 0.05 4.79 2.96 -0.94 -1.80 118.68 126.96 2hw0 s LEU 21 Ca -0.08 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.10 0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.55 2hw0 s LEU 21 CO -0.11 -0.04 0.80 0.20 -1.32 0.00 0.00 176.35 175.88 2hw0 s ASN 22 N 0.31 7.26 -0.92 3.68 0.01 -1.26 -0.89 114.94 123.13 2hw0 s ASN 22 Ca -0.03 1.50 -0.08 0.00 -0.71 0.00 0.00 52.86 53.55 2hw0 s ASN 22 Cb -0.04 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 2hw0 s ASN 22 CO -0.01 -0.01 0.72 -3.20 -1.51 0.00 0.00 177.10 173.10 2hw0 n ASN 23 N 2.84 -6.07 -4.77 -1.22 2.85 0.91 -4.92 115.26 104.88 2hw0 n ASN 23 Ca -0.01 -0.69 -0.37 0.00 -0.11 0.00 0.00 54.58 53.39 2hw0 n ASN 23 Cb 0.50 -3.64 -0.01 0.00 1.24 0.00 0.00 39.78 37.87 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hw0 s PRO 24 N -4.67 3.83 0.35 1.20 0.04 -1.25 -5.03 135.00 129.46 2hw0 s PRO 24 Ca 0.20 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 2hw0 s PRO 24 Cb -0.07 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 2hw0 s PRO 24 CO 0.83 -0.50 0.60 -1.12 0.04 0.00 0.00 177.00 176.85 2hw0 s SER 25 N -1.29 6.35 0.53 6.66 0.01 -1.26 -4.93 113.70 119.77 2hw0 s SER 25 Ca 0.62 0.64 0.21 0.00 1.31 0.00 0.00 55.95 58.73 2hw0 s SER 25 Cb -0.29 -2.12 1.35 0.00 0.21 0.00 0.00 66.02 65.18 2hw0 s SER 25 CO 0.36 -0.31 2.08 -0.33 0.41 0.00 0.00 173.24 175.45 2hw0 h GLU 26 N 1.00 0.00 0.00 12.44 5.08 -1.99 -0.85 114.58 130.27 2hw0 h GLU 26 Ca -0.48 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.72 2hw0 h GLU 26 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2hw0 h GLU 26 CO 0.63 0.00 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.57 2hw0 h ASP 27 N 0.00 0.55 -0.06 1.42 5.19 -1.98 -2.12 116.42 119.42 2hw0 h ASP 27 Ca 0.12 -0.77 -0.00 0.00 -0.62 0.00 0.00 57.03 55.76 2hw0 h ASP 27 Cb 0.49 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2hw0 h ASP 27 CO -0.00 1.24 0.03 -0.08 -3.12 0.00 0.00 179.24 177.31 2hw0 h GLU 28 N -0.09 0.09 -0.10 3.56 4.57 -1.72 -0.34 114.58 120.54 2hw0 h GLU 28 Ca -0.08 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2hw0 h GLU 28 Cb 1.34 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2hw0 h GLU 28 CO 0.12 0.16 -0.24 0.00 -1.18 0.00 0.00 179.01 177.87 2hw0 h ARG 29 N -0.00 0.17 -0.34 1.92 3.08 -1.30 -2.59 114.38 115.31 2hw0 h ARG 29 Ca 0.02 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2hw0 h ARG 29 Cb 0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2hw0 h ARG 29 CO -0.00 0.41 -0.37 0.87 -1.07 0.00 0.00 179.97 179.80 2hw0 h LYS 30 N 0.15 0.85 0.19 0.04 1.79 -1.02 -0.17 116.57 118.40 2hw0 h LYS 30 Ca 0.03 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2hw0 h LYS 30 Cb 0.52 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2hw0 h LYS 30 CO 0.04 1.10 -0.09 -0.22 -1.08 0.00 0.00 179.45 179.20 2hw0 h LYS 31 N 0.64 -0.25 -0.61 3.15 3.64 -0.81 0.28 116.57 122.61 2hw0 h LYS 31 Ca 0.05 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2hw0 h LYS 31 Cb 0.96 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2hw0 h LYS 31 CO 0.09 -0.09 0.07 0.82 -2.27 0.00 0.00 179.45 178.07 2hw0 h ILE 32 N -0.36 1.26 0.00 2.00 2.04 -1.51 -2.06 117.51 118.88 2hw0 h ILE 32 Ca -0.03 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2hw0 h ILE 32 Cb 0.28 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2hw0 h ILE 32 CO 0.04 0.39 -0.07 -0.09 0.00 0.00 0.00 178.15 178.42 2hw0 h ARG 33 N 0.94 0.00 -0.58 2.37 2.43 -0.91 -2.35 114.38 116.28 2hw0 h ARG 33 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hw0 h ARG 33 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2hw0 h ARG 33 CO 0.02 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.30 2hw0 n ASP 34 N -3.20 3.47 -4.71 -3.80 8.00 0.99 -4.98 116.55 112.32 2hw0 n ASP 34 Ca 0.00 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.21 2hw0 n ASP 34 Cb 0.35 -0.38 0.13 0.00 -0.02 0.00 0.00 41.12 41.20 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hw0 s LEU 35 N -1.15 2.84 -0.09 0.64 1.43 -0.82 -4.93 118.68 116.60 2hw0 s LEU 35 Ca 0.43 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 2hw0 s LEU 35 Cb 0.23 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.31 -2.65 1.52 -2.16 0.23 0.00 0.00 176.35 173.60 2hw0 s PRO 36 N -4.77 4.20 0.25 1.29 0.04 -1.26 -4.91 135.00 129.84 2hw0 s PRO 36 Ca 0.64 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2hw0 s PRO 36 Cb -0.20 -3.90 0.29 0.00 0.04 0.00 0.00 34.50 30.72 2hw0 s PRO 36 CO 0.57 -0.79 1.61 -0.84 0.04 0.00 0.00 177.00 177.59 2hw0 h ILE 37 N 5.53 1.33 0.00 0.56 3.07 -1.92 -2.68 117.51 123.40 2hw0 h ILE 37 Ca -0.35 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.39 2hw0 h ILE 37 Cb 1.15 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 2hw0 h ILE 37 CO 0.96 0.51 0.00 0.77 -1.05 0.00 0.00 178.15 179.34 2hw0 h SER 38 N 0.31 0.00 1.01 2.16 4.64 -1.99 -2.14 113.55 117.54 2hw0 h SER 38 Ca 0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 2hw0 h SER 38 Cb 0.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2hw0 h SER 38 CO 0.08 0.00 -0.80 0.25 -0.87 0.00 0.00 176.83 175.49 2hw0 h LEU 39 N 0.00 0.00 -7.73 5.97 6.46 -1.88 -3.43 115.31 114.71 2hw0 h LEU 39 Ca 0.00 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.16 2hw0 h LEU 39 Cb 0.31 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.86 2hw0 h LEU 39 CO 0.00 0.80 -0.80 -0.36 -0.62 0.00 0.00 178.44 177.45 2hw0 s PHE 40 N -2.98 2.26 0.53 1.25 0.40 -0.81 -2.54 117.98 116.09 2hw0 s PHE 40 Ca 0.01 -1.51 0.30 0.00 -0.60 0.00 0.00 56.93 55.13 2hw0 s PHE 40 Cb 0.10 -1.56 1.45 0.00 0.51 0.00 0.00 43.02 43.52 2hw0 s PHE 40 CO 0.79 -0.72 1.91 0.22 0.70 0.00 0.00 175.22 178.11 2hw0 h ASP 41 N 8.00 0.02 -3.38 1.36 1.82 -1.66 -3.38 116.42 119.20 2hw0 h ASP 41 Ca -0.26 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.00 2hw0 h ASP 41 Cb 1.10 -0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.74 2hw0 h ASP 41 CO 0.45 0.01 -0.75 -0.47 -1.61 0.00 0.00 179.24 176.86 2hw0 s TYR 42 N -5.01 0.41 -0.14 0.28 5.04 -1.24 -1.68 117.35 115.02 2hw0 s TYR 42 Ca -0.05 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 2hw0 s TYR 42 Cb 0.21 -0.56 0.04 0.00 0.35 0.00 0.00 41.96 42.00 2hw0 s TYR 42 CO 0.77 -0.21 -0.00 0.12 -1.34 0.00 0.00 175.55 174.89 2hw0 s PHE 43 N 1.53 1.04 -0.09 4.97 2.19 -1.02 -0.01 117.98 126.60 2hw0 s PHE 43 Ca -0.02 -0.62 -0.02 0.00 0.33 0.00 0.00 56.93 56.60 2hw0 s PHE 43 Cb -0.13 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.61 2hw0 s PHE 43 CO -0.03 -0.49 0.03 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.85 0.22 -0.01 3.12 2.07 -0.39 -0.70 121.20 127.35 2hw0 s ILE 44 Ca 0.02 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.12 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.15 2hw0 s VAL 45 N 2.03 1.90 -0.04 4.00 1.01 -0.35 0.09 120.40 129.05 2hw0 s VAL 45 Ca 0.04 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2hw0 s VAL 45 Cb -0.13 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2hw0 s VAL 45 CO -0.05 0.52 -0.10 -0.83 0.00 0.00 0.00 175.10 174.63 2hw0 s GLY 46 N -0.62 0.64 -0.14 4.51 0.00 -0.63 -0.10 107.32 110.98 2hw0 s GLY 46 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 2hw0 s GLY 46 CO -0.01 0.03 0.35 1.85 0.00 0.00 0.00 173.10 175.32 2hw0 s GLU 47 N 0.43 4.26 -0.19 2.90 2.56 -0.64 -2.28 118.70 125.74 2hw0 s GLU 47 Ca -0.08 0.21 -0.09 0.00 0.00 0.00 0.00 54.97 55.01 2hw0 s GLU 47 Cb -0.12 -3.42 -0.05 0.00 2.00 0.00 0.00 34.13 32.55 2hw0 s GLU 47 CO 0.02 0.24 0.11 -2.00 -0.56 0.00 0.00 175.26 173.06 2hw0 s GLU 48 N 0.43 4.07 -0.49 4.30 2.12 0.09 -4.38 118.70 124.83 2hw0 s GLU 48 Ca 0.19 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.33 2hw0 s GLU 48 Cb -0.14 -3.33 0.19 0.00 0.26 0.00 0.00 34.13 31.11 2hw0 s GLU 48 CO 0.06 0.32 0.65 0.41 -0.54 0.00 0.00 175.26 176.17 2hw0 n GLY 49 N 3.42 0.07 0.11 -1.50 0.00 -1.26 -1.48 105.19 104.54 2hw0 n GLY 49 Ca -0.16 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2hw0 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hw0 n ASN 50 N 2.84 -1.97 -3.94 1.61 2.85 -1.26 -4.97 115.26 110.42 2hw0 n ASN 50 Ca 0.20 -0.08 -0.29 0.00 -0.11 0.00 0.00 54.58 54.30 2hw0 n ASN 50 Cb 0.55 -0.03 0.27 0.00 1.24 0.00 0.00 39.78 41.80 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hw0 n GLU 51 N -2.08 -3.49 -1.09 1.20 1.02 -1.26 -4.81 120.64 110.13 2hw0 n GLU 51 Ca 0.00 -1.01 -0.35 0.00 -0.02 0.00 0.00 57.16 55.78 2hw0 n GLU 51 Cb 0.02 -2.01 0.09 0.00 -0.02 0.00 0.00 31.44 29.52 2hw0 n GLU 51 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2hw0 n GLU 52 N -5.07 0.10 0.00 3.49 0.00 -1.26 -2.88 120.64 115.02 2hw0 n GLU 52 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2hw0 n GLU 52 Cb 0.56 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 30.08 2hw0 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hw0 n GLY 53 N 1.45 3.07 3.70 -1.84 0.00 -1.26 -5.02 105.19 105.28 2hw0 n GLY 53 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2hw0 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hw0 s ARG 54 N -0.30 3.50 0.58 1.61 6.06 -1.14 -5.10 118.95 124.15 2hw0 s ARG 54 Ca 0.00 -0.33 -0.10 0.00 -2.50 0.00 0.00 55.73 52.80 2hw0 s ARG 54 Cb 0.00 -3.05 -0.04 0.00 0.06 0.00 0.00 34.95 31.92 2hw0 s ARG 54 CO 0.00 0.53 0.97 0.95 -2.50 0.00 0.00 175.30 175.25 2hw0 s THR 55 N -0.37 4.73 0.54 4.11 -4.23 -1.26 -4.72 115.64 114.45 2hw0 s THR 55 Ca 0.09 0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 61.18 2hw0 s THR 55 Cb -0.12 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 2hw0 s THR 55 CO 0.02 -1.03 1.13 -2.16 -0.54 0.00 0.00 174.62 172.03 2hw0 s PRO 56 N -4.96 3.35 -0.00 3.99 0.04 -1.26 -4.76 135.00 131.40 2hw0 s PRO 56 Ca 0.54 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 2hw0 s PRO 56 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2hw0 s PRO 56 CO 0.50 -0.85 0.01 -1.58 0.04 0.00 0.00 177.00 175.11 2hw0 s HIS 57 N -1.77 -0.00 -0.09 0.56 2.46 -0.55 -0.06 115.29 115.84 2hw0 s HIS 57 Ca 0.73 0.02 -0.15 0.00 0.47 0.00 0.00 55.06 56.14 2hw0 s HIS 57 Cb -0.24 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.14 2hw0 s HIS 57 CO 0.27 -0.01 0.37 -1.17 -2.47 0.00 0.00 174.74 171.72 2hw0 s LEU 58 N 0.13 4.35 -0.27 8.88 0.20 -0.06 -0.73 118.68 131.18 2hw0 s LEU 58 Ca -0.01 0.75 -0.03 0.00 0.69 0.00 0.00 54.13 55.53 2hw0 s LEU 58 Cb -0.02 -2.50 0.15 0.00 -0.43 0.00 0.00 46.19 43.39 2hw0 s LEU 58 CO -0.00 0.19 0.50 -1.58 -0.29 0.00 0.00 176.35 175.17 2hw0 s GLN 59 N -0.20 0.46 0.30 1.98 2.00 -0.96 -2.22 119.66 121.01 2hw0 s GLN 59 Ca 0.21 0.88 -0.11 0.00 -2.00 0.00 0.00 55.36 54.35 2hw0 s GLN 59 Cb -0.15 0.18 0.01 0.00 0.80 0.00 0.00 33.01 33.85 2hw0 s GLN 59 CO 0.09 -0.55 0.54 0.20 -0.50 0.00 0.00 175.29 175.07 2hw0 s GLY 60 N 2.72 0.76 -0.01 2.59 0.00 -1.08 -1.60 107.32 110.71 2hw0 s GLY 60 Ca 0.13 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.86 2hw0 s GLY 60 CO -0.18 -0.66 -0.12 -0.12 0.00 0.00 0.00 173.10 172.02 2hw0 s PHE 61 N -3.45 1.05 -0.06 1.90 5.36 0.11 -2.32 117.98 120.58 2hw0 s PHE 61 Ca 0.23 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 2hw0 s PHE 61 Cb -0.02 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 2hw0 s PHE 61 CO 0.13 -0.02 -0.03 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.31 0.72 -0.38 11.12 0.00 -0.74 -1.27 121.76 130.91 2hw0 s ALA 62 Ca 0.04 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 2hw0 s ALA 62 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2hw0 s ALA 62 CO -0.00 -0.20 0.64 1.21 0.00 0.00 0.00 175.76 177.41 2hw0 s ASN 63 N 1.34 6.40 0.07 0.00 3.84 0.99 -2.25 114.94 125.34 2hw0 s ASN 63 Ca -0.04 0.04 -0.31 0.00 0.21 0.00 0.00 52.86 52.76 2hw0 s ASN 63 Cb -0.13 -2.33 -0.07 0.00 -0.55 0.00 0.00 41.25 38.17 2hw0 s ASN 63 CO -0.02 -0.64 1.34 -0.36 -2.79 0.00 0.00 177.10 174.62 2hw0 s PHE 64 N 2.75 3.19 0.56 0.43 0.08 0.97 -2.50 117.98 123.47 2hw0 s PHE 64 Ca 0.24 1.02 0.30 0.00 0.12 0.00 0.00 56.93 58.60 2hw0 s PHE 64 Cb -0.14 -3.60 1.77 0.00 -0.57 0.00 0.00 43.02 40.48 2hw0 s PHE 64 CO 0.16 -2.08 2.23 0.28 -0.10 0.00 0.00 175.22 175.71 2hw0 h VAL 65 N 4.51 0.52 -4.09 -0.44 2.07 -1.77 -3.42 116.25 113.64 2hw0 h VAL 65 Ca -0.41 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 66.76 2hw0 h VAL 65 Cb 1.20 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2hw0 h VAL 65 CO 0.86 0.02 -0.20 2.29 0.02 0.00 0.00 177.57 180.56 2hw0 n LYS 66 N -3.80 1.10 -3.22 1.57 0.00 -1.26 -5.01 118.16 107.55 2hw0 n LYS 66 Ca -0.03 -1.53 -0.40 0.00 -0.00 0.00 0.00 58.31 56.36 2hw0 n LYS 66 Cb 0.11 0.63 -0.07 0.00 -0.00 0.00 0.00 35.03 35.70 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2hw0 s LYS 67 N -2.72 4.15 0.07 -1.58 -0.14 -1.26 -4.20 119.74 114.07 2hw0 s LYS 67 Ca 0.05 0.42 0.02 0.00 -1.36 0.00 0.00 55.97 55.11 2hw0 s LYS 67 Cb 0.00 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.52 2hw0 s LYS 67 CO 0.03 -0.24 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.66 2hw0 s GLN 68 N 1.92 0.70 0.57 1.68 -1.52 -0.98 -4.86 119.66 117.17 2hw0 s GLN 68 Ca 0.24 -1.03 0.01 0.00 -1.95 0.00 0.00 55.36 52.64 2hw0 s GLN 68 Cb -0.15 -0.33 0.05 0.00 -0.22 0.00 0.00 33.01 32.35 2hw0 s GLN 68 CO 0.09 0.04 0.80 0.95 -0.25 0.00 0.00 175.29 176.92 2hw0 s THR 69 N -2.30 2.58 0.06 -0.19 -4.23 -1.26 -1.34 115.64 108.96 2hw0 s THR 69 Ca 0.00 -0.67 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 2hw0 s THR 69 Cb -0.04 -2.91 -0.17 0.00 1.34 0.00 0.00 72.50 70.72 2hw0 s THR 69 CO -0.01 0.00 1.58 0.15 -0.54 0.00 0.00 174.62 175.80 2hw0 h PHE 70 N 0.00 -0.44 -0.77 3.99 3.57 -1.98 0.30 116.94 121.60 2hw0 h PHE 70 Ca -0.41 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2hw0 h PHE 70 Cb 1.29 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 2hw0 h PHE 70 CO 0.29 -0.22 0.43 -0.91 -2.23 0.00 0.00 178.31 175.67 2hw0 h ASN 71 N -0.56 0.96 -0.02 0.41 4.21 -2.00 -2.59 115.58 115.99 2hw0 h ASN 71 Ca -0.05 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 2hw0 h ASN 71 Cb 0.41 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2hw0 h ASN 71 CO 0.08 0.77 0.00 0.50 -1.29 0.00 0.00 177.43 177.50 2hw0 h LYS 72 N 1.07 0.03 -0.32 0.81 3.11 -1.92 -2.61 116.57 116.74 2hw0 h LYS 72 Ca 0.27 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.20 2hw0 h LYS 72 Cb 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2hw0 h LYS 72 CO -0.05 0.26 0.37 0.28 -2.81 0.00 0.00 179.45 177.50 2hw0 h VAL 73 N -0.20 0.39 0.00 2.00 2.07 -0.23 0.32 116.25 120.59 2hw0 h VAL 73 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2hw0 h VAL 73 Cb 0.24 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2hw0 h VAL 73 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2hw0 n LYS 74 N -3.70 0.07 0.28 1.57 5.02 -0.98 -1.69 118.16 118.73 2hw0 n LYS 74 Ca 0.05 0.45 0.18 0.00 -2.02 0.00 0.00 58.31 56.97 2hw0 n LYS 74 Cb 0.52 -1.68 0.71 0.00 -0.02 0.00 0.00 35.03 34.56 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -0.47 -0.09 115.95 122.60 2hw0 h TRP 75 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.82 2hw0 h TRP 75 Cb 0.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2hw0 h TRP 75 CO 0.00 0.00 -1.45 0.66 -1.28 0.00 0.00 178.44 176.37 2hw0 n TYR 76 N -3.08 0.00 0.01 0.12 4.01 -0.68 -4.71 117.16 112.84 2hw0 n TYR 76 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 2hw0 n TYR 76 Cb 0.29 -0.33 0.13 0.00 -0.31 0.00 0.00 39.34 39.13 2hw0 n TYR 76 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2hw0 h LEU 77 N -0.34 0.52 0.00 7.72 3.38 -1.56 -3.48 115.31 121.56 2hw0 h LEU 77 Ca -0.22 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2hw0 h LEU 77 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2hw0 h LEU 77 CO -0.14 0.86 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2hw0 n GLY 78 N -0.07 0.23 0.15 0.83 0.00 -0.04 -4.57 105.19 101.72 2hw0 n GLY 78 Ca -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.43 2hw0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw0 h ALA 79 N 0.00 0.82 -0.97 4.61 0.00 -1.96 -3.21 119.26 118.55 2hw0 h ALA 79 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.60 2hw0 h ALA 79 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2hw0 h ALA 79 CO 0.00 0.66 0.61 0.00 0.00 0.00 0.00 179.25 180.52 2hw0 h ARG 80 N 0.00 0.74 -5.76 0.00 2.47 -1.95 -3.40 114.38 106.48 2hw0 h ARG 80 Ca -0.01 -0.04 -0.65 0.00 -1.26 0.00 0.00 59.98 58.02 2hw0 h ARG 80 Cb 1.17 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 29.26 2hw0 h ARG 80 CO 0.07 0.49 -0.45 0.00 0.56 0.00 0.00 179.97 180.63 2hw0 s HIS 82 N -1.18 3.65 -0.00 0.00 2.46 -0.74 -4.83 115.29 114.65 2hw0 s HIS 82 Ca 0.22 1.64 0.04 0.00 0.47 0.00 0.00 55.06 57.42 2hw0 s HIS 82 Cb -0.13 -3.18 -0.03 0.00 -0.13 0.00 0.00 32.58 29.11 2hw0 s HIS 82 CO 0.11 -0.27 -0.10 0.42 -2.47 0.00 0.00 174.74 172.43 2hw0 s ILE 83 N 0.61 3.39 0.16 0.89 1.01 -1.26 -1.16 121.20 124.84 2hw0 s ILE 83 Ca 0.52 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2hw0 s ILE 83 Cb -0.24 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2hw0 s ILE 83 CO 0.30 0.43 0.32 -0.70 0.00 0.00 0.00 174.94 175.28 2hw0 s GLU 84 N -1.27 1.15 0.02 2.79 2.12 -0.77 -4.98 118.70 117.77 2hw0 s GLU 84 Ca 0.15 -1.08 -0.26 0.00 0.36 0.00 0.00 54.97 54.15 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2hw0 s GLU 84 CO 0.05 -0.43 0.82 0.21 -0.54 0.00 0.00 175.26 175.37 2hw0 s LYS 85 N -3.93 4.52 0.40 4.30 2.20 -1.26 -0.16 119.74 125.81 2hw0 s LYS 85 Ca 0.14 1.14 -0.17 0.00 -0.36 0.00 0.00 55.97 56.73 2hw0 s LYS 85 Cb 0.03 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 2hw0 s LYS 85 CO -0.02 0.16 0.85 0.00 -0.36 0.00 0.00 175.35 175.98 2hw0 s ALA 86 N 0.33 3.19 0.01 3.13 0.00 -1.26 -4.88 121.76 122.28 2hw0 s ALA 86 Ca 0.42 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2hw0 s ALA 86 Cb -0.20 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2hw0 s ALA 86 CO 0.24 0.13 -0.12 -1.59 0.00 0.00 0.00 175.76 174.42 2hw0 s LYS 87 N -3.33 0.88 0.00 0.00 -2.85 -1.26 -4.99 119.74 108.19 2hw0 s LYS 87 Ca 0.57 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2hw0 s LYS 87 Cb -0.10 -0.86 0.00 0.00 -2.06 0.00 0.00 37.83 34.82 2hw0 s LYS 87 CO 0.20 0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.28 2hw0 n GLY 88 N 2.36 -0.25 3.95 0.59 0.00 -1.26 -4.73 105.19 105.86 2hw0 n GLY 88 Ca -0.16 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.32 2hw0 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hw0 s THR 89 N -0.81 2.17 0.28 2.61 -4.23 -1.26 -4.61 115.64 109.79 2hw0 s THR 89 Ca 0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2hw0 s THR 89 Cb 0.00 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.24 2hw0 s THR 89 CO 0.00 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.68 2hw0 h ASP 90 N -0.85 0.92 -0.07 3.99 3.04 -1.83 -0.43 116.42 121.20 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -3.24 0.00 0.00 57.03 53.29 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.42 2hw0 h ASP 90 CO 0.49 0.49 -0.38 -0.61 -2.04 0.00 0.00 179.24 177.20 2hw0 h GLN 91 N 0.99 0.57 -0.57 4.15 5.75 -1.93 -1.91 115.11 122.17 2hw0 h GLN 91 Ca 0.49 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 2hw0 h GLN 91 Cb 0.47 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2hw0 h GLN 91 CO -0.26 0.86 0.02 1.96 -2.65 0.00 0.00 178.83 178.76 2hw0 h GLN 92 N 0.48 0.99 -0.17 1.69 4.20 -1.49 -0.16 115.11 120.65 2hw0 h GLN 92 Ca 0.05 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2hw0 h GLN 92 Cb 0.87 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 2hw0 h GLN 92 CO 0.07 0.98 -0.11 -0.91 -0.67 0.00 0.00 178.83 178.19 2hw0 h ASN 93 N 0.88 0.40 -0.71 1.46 -0.26 -1.10 0.06 115.58 116.30 2hw0 h ASN 93 Ca 0.16 -0.44 -0.04 0.00 -0.56 0.00 0.00 56.30 55.43 2hw0 h ASN 93 Cb 0.52 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 2hw0 h ASN 93 CO 0.03 0.75 0.30 0.50 -1.06 0.00 0.00 177.43 177.94 2hw0 h LYS 94 N 0.05 1.06 -0.19 0.81 3.64 -1.30 -2.66 116.57 117.97 2hw0 h LYS 94 Ca 0.03 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2hw0 h LYS 94 Cb 0.61 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2hw0 h LYS 94 CO 0.03 0.86 -0.50 1.49 -2.27 0.00 0.00 179.45 179.06 2hw0 h GLU 95 N 1.01 0.52 0.16 1.90 4.22 -1.00 -2.59 114.58 118.81 2hw0 h GLU 95 Ca 0.24 -0.31 0.01 0.00 0.08 0.00 0.00 59.36 59.38 2hw0 h GLU 95 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2hw0 h GLU 95 CO -0.02 0.91 -0.22 -0.92 -2.18 0.00 0.00 179.01 176.57 2hw0 h TYR 96 N 0.41 -0.59 -0.37 0.92 3.20 -0.66 0.27 116.97 120.14 2hw0 h TYR 96 Ca 0.02 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2hw0 h TYR 96 Cb 1.03 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2hw0 h TYR 96 CO 0.04 -0.32 0.02 0.00 -1.64 0.00 0.00 178.16 176.26 2hw0 n SER 98 N -4.28 0.43 0.22 0.00 2.88 -0.89 -3.26 113.62 108.73 2hw0 n SER 98 Ca 0.02 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.30 2hw0 n SER 98 Cb 0.24 -0.67 0.85 0.00 -0.75 0.00 0.00 64.21 63.89 2hw0 n SER 98 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hw0 h LYS 99 N 0.00 0.00 0.00 -1.46 3.64 0.60 0.26 116.57 119.61 2hw0 h LYS 99 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2hw0 h LYS 99 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2hw0 h LYS 99 CO 0.00 0.00 -0.26 0.93 -2.27 0.00 0.00 179.45 177.85 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 4.39 -1.72 -3.47 114.58 115.68 2hw0 h GLU 100 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2hw0 h GLU 100 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2hw0 h GLU 100 CO -0.00 0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 2hw0 n GLY 101 N 0.32 1.26 2.84 -3.84 0.00 0.90 -4.90 105.19 101.77 2hw0 n GLY 101 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2hw0 n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hw0 s ASN 102 N -2.92 1.40 -0.21 1.61 2.47 -1.26 -5.11 114.94 110.92 2hw0 s ASN 102 Ca 0.00 -0.13 -0.09 0.00 0.42 0.00 0.00 52.86 53.06 2hw0 s ASN 102 Cb 0.00 -0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 39.26 2hw0 s ASN 102 CO 0.00 -0.13 0.10 -0.76 -3.72 0.00 0.00 177.10 172.59 2hw0 s LEU 103 N 1.50 3.93 0.08 3.21 1.43 -1.26 -1.62 118.68 125.95 2hw0 s LEU 103 Ca -0.02 0.09 0.14 0.00 -1.03 0.00 0.00 54.13 53.31 2hw0 s LEU 103 Cb -0.13 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 43.93 2hw0 s LEU 103 CO -0.03 0.13 0.95 0.25 0.23 0.00 0.00 176.35 177.87 2hw0 h LEU 104 N 7.03 0.00 -7.09 1.79 5.85 -0.80 -3.44 115.31 118.64 2hw0 h LEU 104 Ca -0.38 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 2hw0 h LEU 104 Cb 1.17 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.97 2hw0 h LEU 104 CO 0.69 0.74 -0.01 -0.32 -0.34 0.00 0.00 178.44 179.20 2hw0 s MET 105 N -2.81 0.70 -0.24 1.25 0.00 -0.85 -4.97 119.30 112.37 2hw0 s MET 105 Ca -0.02 0.92 -0.02 0.00 0.00 0.00 0.00 55.69 56.58 2hw0 s MET 105 Cb 0.08 0.28 0.08 0.00 0.00 0.00 0.00 34.83 35.27 2hw0 s MET 105 CO 0.81 -0.10 0.06 -2.00 0.00 0.00 0.00 175.02 173.78 2hw0 s GLU 106 N 0.66 0.71 0.30 4.11 2.12 -1.26 -1.21 118.70 124.12 2hw0 s GLU 106 Ca -0.03 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.63 2hw0 s GLU 106 Cb -0.05 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2hw0 s GLU 106 CO -0.04 -0.78 0.31 0.00 -0.54 0.00 0.00 175.26 174.21 2hw0 n GLY 108 N -0.51 -1.51 3.68 0.00 0.00 -1.26 -2.44 105.19 103.15 2hw0 n GLY 108 Ca 0.04 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 2hw0 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw0 s ALA 109 N -2.05 3.26 -0.96 4.61 0.00 -0.67 -4.76 121.76 121.20 2hw0 s ALA 109 Ca 0.00 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 2hw0 s ALA 109 Cb 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 23.12 21.91 2hw0 s ALA 109 CO 0.00 0.53 1.92 -0.35 0.00 0.00 0.00 175.76 177.86 2hw0 n PRO 110 N -0.01 1.50 -4.39 0.00 -0.04 -1.26 -4.40 135.00 126.40 2hw0 n PRO 110 Ca -0.10 -2.14 -0.25 0.00 -0.04 0.00 0.00 63.50 60.97 2hw0 n PRO 110 Cb 0.54 -3.32 -0.12 0.00 -0.04 0.00 0.00 33.50 30.57 2hw0 n PRO 110 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2hw0 s ARG 111 N 5.82 1.42 0.00 0.54 1.70 -1.26 -4.73 118.95 122.45 2hw0 s ARG 111 Ca 0.63 -1.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.14 2hw0 s ARG 111 Cb 0.07 -1.68 0.11 0.00 -0.57 0.00 0.00 34.95 32.88 2hw0 s ARG 111 CO 0.14 0.36 1.26 0.45 -1.08 0.00 0.00 175.30 176.43 2hw0 s SER 112 N -2.59 -0.05 0.00 -2.89 0.15 -1.26 -4.68 113.70 102.37 2hw0 s SER 112 Ca 0.18 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2hw0 s SER 112 Cb -0.08 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2hw0 s SER 112 CO 0.08 -0.36 0.00 1.67 1.20 0.00 0.00 173.24 175.83 2hw0 n GLN 113 N -0.56 0.00 -0.38 5.44 7.27 -1.26 -4.59 117.38 123.30 2hw0 n GLN 113 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 2hw0 n GLN 113 Cb 0.62 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.27 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hw0 n GLY 114 N 0.00 -0.17 0.47 1.69 0.00 -1.26 -4.98 105.19 100.94 2hw0 n GLY 114 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2hw0 n GLY 114 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2hw0 h GLN 115 N 0.00 -1.10 -0.02 1.61 -0.00 -2.06 -3.53 115.11 110.01 2hw0 h GLN 115 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2hw0 h GLN 115 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.73 2hw0 h GLN 115 CO 0.00 -0.73 0.00 2.89 0.00 0.00 0.00 178.83 180.99