#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 -1.18 -0.21 3.54 1.04 -1.26 -5.14 113.70 110.49 2hw0 s SER 3 Ca 0.00 -1.45 -0.16 0.00 0.48 0.00 0.00 55.95 54.82 2hw0 s SER 3 Cb 0.00 1.73 0.06 0.00 0.10 0.00 0.00 66.02 67.91 2hw0 s SER 3 CO 0.00 -0.11 0.54 -0.54 0.98 0.00 0.00 173.24 174.10 2hw0 s LYS 4 N 1.22 0.59 0.15 4.02 -0.14 -1.26 -5.17 119.74 119.15 2hw0 s LYS 4 Ca 0.24 0.83 -0.25 0.00 -1.36 0.00 0.00 55.97 55.43 2hw0 s LYS 4 Cb -0.02 0.22 0.06 0.00 -1.68 0.00 0.00 37.83 36.41 2hw0 s LYS 4 CO -0.06 -0.10 0.81 0.21 -0.76 0.00 0.00 175.35 175.45 2hw0 s LYS 5 N 0.71 1.27 -0.06 1.68 2.20 -1.26 -5.19 119.74 119.08 2hw0 s LYS 5 Ca -0.03 -0.62 -0.32 0.00 -0.36 0.00 0.00 55.97 54.64 2hw0 s LYS 5 Cb -0.05 0.49 0.12 0.00 -1.51 0.00 0.00 37.83 36.88 2hw0 s LYS 5 CO -0.05 -0.57 1.25 1.21 -0.36 0.00 0.00 175.35 176.83 2hw0 s ASN 6 N -2.79 -0.09 0.10 1.43 2.47 -1.26 -5.19 114.94 109.61 2hw0 s ASN 6 Ca 0.08 -0.10 0.01 0.00 0.42 0.00 0.00 52.86 53.27 2hw0 s ASN 6 Cb -0.02 0.17 -0.00 0.00 -1.45 0.00 0.00 41.25 39.94 2hw0 s ASN 6 CO -0.02 -0.30 0.11 0.61 -3.72 0.00 0.00 177.10 173.78 2hw0 n GLY 7 N -0.37 3.39 1.84 1.21 0.00 -1.26 -5.18 105.19 104.82 2hw0 n GLY 7 Ca -0.06 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2hw0 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hw0 n ARG 8 N -0.19 0.14 -3.62 1.61 0.63 -1.26 -5.19 116.66 108.78 2hw0 n ARG 8 Ca 0.02 -0.45 -0.14 0.00 -0.92 0.00 0.00 57.85 56.35 2hw0 n ARG 8 Cb 0.18 0.69 -0.06 0.00 0.45 0.00 0.00 32.46 33.73 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2hw0 n SER 9 N -0.68 -0.51 -0.33 6.15 7.64 -1.26 -5.12 113.62 119.51 2hw0 n SER 9 Ca 0.01 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2hw0 n SER 9 Cb 0.27 1.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.69 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hw0 n GLY 10 N -0.46 -0.87 3.74 0.23 0.00 -1.26 -4.78 105.19 101.79 2hw0 n GLY 10 Ca 0.06 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 4.41 0.28 1.61 0.04 -1.26 -5.04 135.00 135.04 2hw0 s PRO 11 Ca 0.00 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.20 2hw0 s PRO 11 Cb 0.00 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2hw0 s PRO 11 CO 0.00 -0.21 -0.15 -0.65 0.04 0.00 0.00 177.00 176.04 2hw0 s GLN 12 N -0.41 1.82 0.51 4.56 -0.21 -1.26 -5.10 119.66 119.56 2hw0 s GLN 12 Ca 0.55 -1.72 -0.21 0.00 0.02 0.00 0.00 55.36 54.00 2hw0 s GLN 12 Cb -0.36 -1.84 -0.07 0.00 1.00 0.00 0.00 33.01 31.74 2hw0 s GLN 12 CO 0.40 0.32 1.14 -1.25 -2.12 0.00 0.00 175.29 173.78 2hw0 s PRO 13 N -3.56 3.54 0.40 2.91 0.04 -1.26 -4.94 135.00 132.12 2hw0 s PRO 13 Ca 0.31 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2hw0 s PRO 13 Cb -0.05 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2hw0 s PRO 13 CO 0.16 -0.71 0.15 -1.01 0.04 0.00 0.00 177.00 175.63 2hw0 s HIS 14 N -1.67 1.77 -0.46 0.56 3.76 -0.72 -4.72 115.29 113.82 2hw0 s HIS 14 Ca 0.69 -1.35 0.16 0.00 -0.15 0.00 0.00 55.06 54.40 2hw0 s HIS 14 Cb -0.26 -1.08 0.65 0.00 1.11 0.00 0.00 32.58 33.00 2hw0 s HIS 14 CO 0.30 -0.40 1.57 0.36 -0.85 0.00 0.00 174.74 175.72 2hw0 n LYS 15 N -0.87 3.77 -3.71 1.40 0.00 -1.26 -2.33 118.16 115.17 2hw0 n LYS 15 Ca -0.04 -2.90 -0.18 0.00 -0.00 0.00 0.00 58.31 55.19 2hw0 n LYS 15 Cb 0.64 -1.95 -0.17 0.00 -0.00 0.00 0.00 35.03 33.55 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 -2.46 -0.06 -0.09 -1.58 0.52 -1.26 0.05 118.95 114.07 2hw0 s ARG 16 Ca 0.47 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.92 2hw0 s ARG 16 Cb 0.35 -0.41 0.03 0.00 0.52 0.00 0.00 34.95 35.44 2hw0 s ARG 16 CO 0.15 -0.27 0.24 -1.58 0.02 0.00 0.00 175.30 173.86 2hw0 s TRP 17 N 1.77 -0.29 0.27 -0.53 0.52 -0.96 -4.05 118.94 115.67 2hw0 s TRP 17 Ca -0.00 0.69 0.08 0.00 0.02 0.00 0.00 56.10 56.89 2hw0 s TRP 17 Cb -0.12 0.07 -0.04 0.00 -1.15 0.00 0.00 33.47 32.23 2hw0 s TRP 17 CO -0.03 -0.17 0.16 0.14 0.02 0.00 0.00 176.95 177.07 2hw0 s VAL 18 N 0.62 3.99 0.02 4.03 -7.23 0.84 -1.97 120.40 120.70 2hw0 s VAL 18 Ca -0.04 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2hw0 s VAL 18 Cb -0.05 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 2hw0 s VAL 18 CO -0.04 -0.32 -0.06 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.22 0.57 -0.14 2.82 -0.71 -0.96 -1.67 117.98 115.66 2hw0 s PHE 19 Ca 0.34 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.87 2hw0 s PHE 19 Cb -0.07 -0.35 0.06 0.00 -1.21 0.00 0.00 43.02 41.45 2hw0 s PHE 19 CO 0.24 -0.04 0.33 0.95 -1.34 0.00 0.00 175.22 175.35 2hw0 s THR 20 N -0.73 -0.11 -0.01 -4.49 -4.23 0.44 -2.56 115.64 103.95 2hw0 s THR 20 Ca -0.04 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.29 2hw0 s THR 20 CO 0.00 0.06 0.01 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.51 1.70 -0.04 4.79 2.96 -0.89 -1.14 118.68 127.58 2hw0 s LEU 21 Ca -0.08 0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 53.62 2hw0 s LEU 21 Cb -0.10 -0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 2hw0 s LEU 21 CO -0.11 -0.04 0.72 0.21 -1.32 0.00 0.00 176.35 175.81 2hw0 s ASN 22 N 0.33 7.04 -0.88 3.68 3.84 -1.26 -0.23 114.94 127.45 2hw0 s ASN 22 Ca -0.03 1.25 -0.06 0.00 0.21 0.00 0.00 52.86 54.24 2hw0 s ASN 22 Cb -0.04 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.23 2hw0 s ASN 22 CO -0.01 -0.08 0.70 -3.20 -2.79 0.00 0.00 177.10 171.72 2hw0 n ASN 23 N 3.54 -6.22 -4.77 -4.21 4.05 0.94 -4.92 115.26 103.67 2hw0 n ASN 23 Ca -0.02 -0.62 -0.37 0.00 0.45 0.00 0.00 54.58 54.03 2hw0 n ASN 23 Cb 0.51 -3.69 -0.01 0.00 1.23 0.00 0.00 39.78 37.82 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2hw0 s PRO 24 N -4.42 3.81 0.46 1.20 0.04 -1.26 -5.04 135.00 129.79 2hw0 s PRO 24 Ca 0.14 1.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 2hw0 s PRO 24 Cb -0.05 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2hw0 s PRO 24 CO 0.82 -0.51 0.75 -1.12 0.04 0.00 0.00 177.00 176.98 2hw0 s SER 25 N -1.31 6.28 0.48 6.66 0.01 -1.26 -4.88 113.70 119.68 2hw0 s SER 25 Ca 0.62 0.86 0.16 0.00 1.31 0.00 0.00 55.95 58.90 2hw0 s SER 25 Cb -0.29 -2.22 1.13 0.00 0.21 0.00 0.00 66.02 64.85 2hw0 s SER 25 CO 0.36 -0.53 2.06 -0.33 0.41 0.00 0.00 173.24 175.21 2hw0 h GLU 26 N 0.35 0.00 0.00 12.44 5.08 -1.98 0.24 114.58 130.72 2hw0 h GLU 26 Ca -0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 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 0.62 0.11 -0.57 0.22 -1.00 0.00 0.00 179.01 178.39 2hw0 h ASP 27 N 0.00 0.49 -0.04 1.42 1.82 -1.98 -2.30 116.42 115.83 2hw0 h ASP 27 Ca -0.00 -0.77 -0.02 0.00 -0.39 0.00 0.00 57.03 55.85 2hw0 h ASP 27 Cb 0.20 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 2hw0 h ASP 27 CO 0.01 1.20 -0.04 -0.08 -1.61 0.00 0.00 179.24 178.72 2hw0 h GLU 28 N -0.16 0.09 -0.60 0.28 4.57 -1.87 -2.08 114.58 114.81 2hw0 h GLU 28 Ca -0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2hw0 h GLU 28 Cb 1.29 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 2hw0 h GLU 28 CO 0.11 0.56 0.39 -0.09 -1.18 0.00 0.00 179.01 178.80 2hw0 h ARG 29 N -0.38 0.79 -0.20 1.92 2.43 -0.66 -1.84 114.38 116.43 2hw0 h ARG 29 Ca 0.01 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2hw0 h ARG 29 Cb 0.55 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2hw0 h ARG 29 CO 0.01 0.53 -0.46 -0.22 -1.51 0.00 0.00 179.97 178.32 2hw0 h LYS 30 N 0.81 0.51 0.19 0.20 3.64 -1.38 -2.18 116.57 118.35 2hw0 h LYS 30 Ca 0.22 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2hw0 h LYS 30 Cb -0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2hw0 h LYS 30 CO -0.05 0.87 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.69 2hw0 h LYS 31 N 0.41 -0.25 -0.69 1.90 3.64 -0.61 0.31 116.57 121.28 2hw0 h LYS 31 Ca 0.03 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2hw0 h LYS 31 Cb 0.97 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2hw0 h LYS 31 CO 0.09 -0.09 0.33 0.82 -2.27 0.00 0.00 179.45 178.32 2hw0 h ILE 32 N -0.35 1.23 0.00 2.00 2.04 -1.47 -1.48 117.51 119.47 2hw0 h ILE 32 Ca -0.03 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2hw0 h ILE 32 Cb 0.27 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2hw0 h ILE 32 CO 0.04 0.27 -0.07 -0.09 0.00 0.00 0.00 178.15 178.31 2hw0 h ARG 33 N 0.96 0.00 -0.61 2.37 2.43 -1.26 -2.49 114.38 115.78 2hw0 h ARG 33 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2hw0 h ARG 33 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2hw0 h ARG 33 CO -0.03 0.07 0.00 -3.47 -1.51 0.00 0.00 179.97 175.03 2hw0 n ASP 34 N -3.18 3.48 -4.74 -3.80 2.03 0.11 -4.97 116.55 105.48 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 2hw0 n ASP 34 Cb 0.37 -0.40 0.12 0.00 -0.72 0.00 0.00 41.12 40.48 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hw0 s LEU 35 N -1.10 2.90 -0.12 -2.67 1.43 -0.63 -4.94 118.68 113.55 2hw0 s LEU 35 Ca 0.43 1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 2hw0 s LEU 35 Cb 0.23 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.30 -2.40 1.54 -2.16 0.23 0.00 0.00 176.35 173.86 2hw0 s PRO 36 N -4.83 4.11 0.25 1.29 0.04 -1.26 -4.91 135.00 129.69 2hw0 s PRO 36 Ca 0.63 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 36 Cb -0.19 -3.94 0.30 0.00 0.04 0.00 0.00 34.50 30.71 2hw0 s PRO 36 CO 0.57 -0.91 1.64 -0.84 0.04 0.00 0.00 177.00 177.50 2hw0 h ILE 37 N 5.68 1.29 0.00 0.56 3.07 -1.92 -2.64 117.51 123.56 2hw0 h ILE 37 Ca -0.34 -1.47 -0.01 0.00 1.55 0.00 0.00 64.86 64.59 2hw0 h ILE 37 Cb 1.15 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.19 2hw0 h ILE 37 CO 0.97 0.46 -0.05 -1.28 -1.05 0.00 0.00 178.15 177.20 2hw0 h SER 38 N 0.44 0.00 0.77 2.16 0.87 -1.99 -1.76 113.55 114.04 2hw0 h SER 38 Ca 0.05 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 2hw0 h SER 38 Cb 0.82 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2hw0 h SER 38 CO 0.07 0.05 -0.60 0.25 -0.53 0.00 0.00 176.83 176.07 2hw0 h LEU 39 N 0.00 0.00 -7.76 2.23 6.46 -1.87 -3.42 115.31 110.95 2hw0 h LEU 39 Ca -0.00 0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.15 2hw0 h LEU 39 Cb 0.26 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.82 2hw0 h LEU 39 CO 0.01 0.60 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.26 2hw0 s PHE 40 N -3.47 2.30 0.56 1.25 0.40 -0.66 -2.53 117.98 115.84 2hw0 s PHE 40 Ca -0.00 -1.52 0.29 0.00 -0.60 0.00 0.00 56.93 55.10 2hw0 s PHE 40 Cb 0.12 -1.59 1.46 0.00 0.51 0.00 0.00 43.02 43.52 2hw0 s PHE 40 CO 0.75 -0.72 1.92 -0.44 0.70 0.00 0.00 175.22 177.42 2hw0 h ASP 41 N 8.00 0.00 -3.40 1.36 3.32 -1.63 -3.38 116.42 120.69 2hw0 h ASP 41 Ca -0.27 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.42 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 2hw0 h ASP 41 CO 0.46 0.00 -0.74 -0.47 -1.72 0.00 0.00 179.24 176.77 2hw0 s TYR 42 N -4.85 0.21 -0.15 4.55 5.04 -1.24 -0.16 117.35 120.75 2hw0 s TYR 42 Ca -0.05 0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 2hw0 s TYR 42 Cb 0.19 -0.46 0.05 0.00 0.35 0.00 0.00 41.96 42.09 2hw0 s TYR 42 CO 0.68 -0.17 0.00 0.12 -1.34 0.00 0.00 175.55 174.84 2hw0 s PHE 43 N 1.60 1.09 -0.05 4.97 2.19 -0.99 0.05 117.98 126.84 2hw0 s PHE 43 Ca -0.02 -0.70 -0.02 0.00 0.33 0.00 0.00 56.93 56.52 2hw0 s PHE 43 Cb -0.13 -1.03 0.03 0.00 -1.31 0.00 0.00 43.02 40.58 2hw0 s PHE 43 CO -0.03 -0.52 0.04 -1.50 1.83 0.00 0.00 175.22 175.03 2hw0 s ILE 44 N 1.84 0.05 0.11 3.12 2.07 -0.50 -1.39 121.20 126.49 2hw0 s ILE 44 Ca 0.01 0.32 0.09 0.00 -1.41 0.00 0.00 60.65 59.66 2hw0 s ILE 44 Cb -0.15 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 2hw0 s ILE 44 CO -0.07 0.20 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.24 2hw0 s VAL 45 N 2.02 1.93 0.04 4.00 1.01 -0.74 0.07 120.40 128.72 2hw0 s VAL 45 Ca 0.04 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.41 2hw0 s VAL 45 Cb -0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2hw0 s VAL 45 CO -0.04 0.00 -0.06 -0.83 0.00 0.00 0.00 175.10 174.17 2hw0 s GLY 46 N -1.96 0.46 -0.11 4.51 0.00 -0.44 -0.53 107.32 109.25 2hw0 s GLY 46 Ca 0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 2hw0 s GLY 46 CO 0.05 -0.84 -0.08 1.85 0.00 0.00 0.00 173.10 174.08 2hw0 s GLU 47 N -1.79 3.17 0.12 2.90 -6.30 -0.97 -2.34 118.70 113.49 2hw0 s GLU 47 Ca -0.09 -0.58 0.06 0.00 -2.50 0.00 0.00 54.97 51.85 2hw0 s GLU 47 Cb -0.08 -2.68 -0.04 0.00 0.00 0.00 0.00 34.13 31.33 2hw0 s GLU 47 CO -0.01 0.42 -0.14 -1.83 0.02 0.00 0.00 175.26 173.72 2hw0 s GLU 48 N -0.16 1.02 0.00 4.30 -1.05 -0.80 -4.19 118.70 117.82 2hw0 s GLU 48 Ca 0.02 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 2hw0 s GLU 48 Cb -0.13 -0.91 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 2hw0 s GLU 48 CO 0.03 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.82 2hw0 n GLY 49 N 0.55 0.06 1.11 -3.83 0.00 -1.26 -0.12 105.19 101.70 2hw0 n GLY 49 Ca -0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.80 -4.16 1.61 4.05 -1.26 -4.80 115.26 113.50 2hw0 n ASN 50 Ca 0.00 -3.85 -0.35 0.00 0.45 0.00 0.00 54.58 50.84 2hw0 n ASN 50 Cb 0.00 -0.51 -0.14 0.00 1.23 0.00 0.00 39.78 40.36 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2hw0 s GLU 51 N -3.35 2.43 0.24 1.20 -6.30 -1.26 -5.08 118.70 106.57 2hw0 s GLU 51 Ca 0.43 -1.26 -0.31 0.00 -2.50 0.00 0.00 54.97 51.33 2hw0 s GLU 51 Cb 0.39 -3.14 -0.14 0.00 0.00 0.00 0.00 34.13 31.24 2hw0 s GLU 51 CO -0.03 -0.61 1.25 -1.91 0.02 0.00 0.00 175.26 173.98 2hw0 n GLU 52 N 4.61 1.65 0.00 4.30 0.00 -1.26 -0.84 120.64 129.10 2hw0 n GLU 52 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.61 2hw0 n GLU 52 Cb 0.43 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.74 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 1.82 1.97 3.77 8.31 0.00 -1.26 -5.02 105.19 114.78 2hw0 n GLY 53 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.38 2.54 0.23 1.61 3.52 -0.02 -5.14 118.95 121.32 2hw0 s ARG 54 Ca 0.00 -1.40 0.05 0.00 -0.13 0.00 0.00 55.73 54.25 2hw0 s ARG 54 Cb 0.00 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.05 2hw0 s ARG 54 CO 0.00 0.17 0.35 0.95 -0.81 0.00 0.00 175.30 175.96 2hw0 s THR 55 N -2.34 5.26 0.88 4.11 -4.23 -1.26 -4.83 115.64 113.24 2hw0 s THR 55 Ca 0.37 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 2hw0 s THR 55 Cb -0.05 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 70.07 2hw0 s THR 55 CO 0.24 -0.31 1.09 -2.16 -0.54 0.00 0.00 174.62 172.94 2hw0 s PRO 56 N -3.91 1.35 -0.00 3.99 0.04 -1.26 -4.78 135.00 130.43 2hw0 s PRO 56 Ca 0.34 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 2hw0 s PRO 56 Cb -0.09 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 2hw0 s PRO 56 CO 0.29 -2.19 0.00 -1.58 0.04 0.00 0.00 177.00 173.57 2hw0 s HIS 57 N -2.93 0.01 -0.07 0.56 2.46 0.83 -0.04 115.29 116.10 2hw0 s HIS 57 Ca 0.63 -0.02 -0.15 0.00 0.47 0.00 0.00 55.06 55.99 2hw0 s HIS 57 Cb -0.18 -0.01 -0.05 0.00 -0.13 0.00 0.00 32.58 32.21 2hw0 s HIS 57 CO 0.57 -0.02 0.39 -1.17 -2.47 0.00 0.00 174.74 172.04 2hw0 s LEU 58 N -0.11 4.37 -0.25 8.88 0.20 0.68 -1.91 118.68 130.55 2hw0 s LEU 58 Ca -0.01 0.80 -0.04 0.00 0.69 0.00 0.00 54.13 55.57 2hw0 s LEU 58 Cb -0.01 -2.55 0.13 0.00 -0.43 0.00 0.00 46.19 43.34 2hw0 s LEU 58 CO -0.00 0.19 0.45 -1.58 -0.29 0.00 0.00 176.35 175.12 2hw0 s GLN 59 N -0.27 0.40 0.30 1.98 2.00 -0.99 -2.10 119.66 120.98 2hw0 s GLN 59 Ca 0.22 0.84 -0.11 0.00 -2.00 0.00 0.00 55.36 54.31 2hw0 s GLN 59 Cb -0.15 0.05 0.01 0.00 0.80 0.00 0.00 33.01 33.72 2hw0 s GLN 59 CO 0.10 -0.49 0.56 0.20 -0.50 0.00 0.00 175.29 175.16 2hw0 s GLY 60 N 2.65 0.71 -0.00 2.59 0.00 -1.06 -1.33 107.32 110.88 2hw0 s GLY 60 Ca 0.09 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.87 2hw0 s GLY 60 CO -0.16 -0.62 -0.12 -0.12 0.00 0.00 0.00 173.10 172.09 2hw0 s PHE 61 N -3.41 1.05 -0.06 1.90 5.36 0.11 -2.28 117.98 120.65 2hw0 s PHE 61 Ca 0.22 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 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 0.12 -0.01 -0.03 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.32 0.75 -0.37 11.12 0.00 -0.83 -1.41 121.76 130.69 2hw0 s ALA 62 Ca 0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 2hw0 s ALA 62 Cb -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2hw0 s ALA 62 CO -0.00 -0.20 0.67 1.21 0.00 0.00 0.00 175.76 177.43 2hw0 s ASN 63 N 1.35 6.43 0.00 0.00 3.84 0.11 -2.26 114.94 124.40 2hw0 s ASN 63 Ca -0.04 0.10 -0.30 0.00 0.21 0.00 0.00 52.86 52.83 2hw0 s ASN 63 Cb -0.13 -2.34 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.65 1.32 -0.36 -2.79 0.00 0.00 177.10 174.60 2hw0 s PHE 64 N 2.81 3.04 0.63 0.43 0.08 0.11 -2.28 117.98 122.79 2hw0 s PHE 64 Ca 0.25 0.99 0.41 0.00 0.12 0.00 0.00 56.93 58.70 2hw0 s PHE 64 Cb -0.14 -3.57 2.27 0.00 -0.57 0.00 0.00 43.02 41.00 2hw0 s PHE 64 CO 0.16 -2.01 2.34 0.28 -0.10 0.00 0.00 175.22 175.88 2hw0 h VAL 65 N 4.84 0.12 -4.39 -0.44 2.07 -1.76 -3.42 116.25 113.27 2hw0 h VAL 65 Ca -0.38 -0.03 -0.37 0.00 0.82 0.00 0.00 66.70 66.74 2hw0 h VAL 65 Cb 1.18 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.90 2hw0 h VAL 65 CO 0.88 0.00 -0.29 0.29 0.02 0.00 0.00 177.57 178.47 2hw0 n LYS 66 N -3.25 0.96 -3.33 1.57 4.01 -1.26 -5.01 118.16 111.85 2hw0 n LYS 66 Ca -0.03 -2.20 -0.42 0.00 -0.51 0.00 0.00 58.31 55.15 2hw0 n LYS 66 Cb 0.08 0.91 -0.09 0.00 -0.51 0.00 0.00 35.03 35.42 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hw0 s LYS 67 N -3.04 3.38 0.22 1.97 1.02 -1.26 -4.18 119.74 117.85 2hw0 s LYS 67 Ca 0.07 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 55.65 2hw0 s LYS 67 Cb 0.00 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 2hw0 s LYS 67 CO 0.05 -0.69 -0.16 -0.65 -0.92 0.00 0.00 175.35 172.98 2hw0 s GLN 68 N 2.16 1.41 0.52 1.68 1.11 -0.98 -4.85 119.66 120.72 2hw0 s GLN 68 Ca 0.14 -1.63 0.05 0.00 0.01 0.00 0.00 55.36 53.92 2hw0 s GLN 68 Cb -0.16 -1.27 0.04 0.00 -1.01 0.00 0.00 33.01 30.61 2hw0 s GLN 68 CO 0.13 0.22 0.72 0.95 0.01 0.00 0.00 175.29 177.32 2hw0 s THR 69 N -2.87 2.65 0.06 -0.19 -4.23 -1.26 -1.75 115.64 108.05 2hw0 s THR 69 Ca 0.24 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 2hw0 s THR 69 Cb -0.02 -2.80 -0.17 0.00 1.34 0.00 0.00 72.50 70.85 2hw0 s THR 69 CO 0.09 0.00 1.59 0.15 -0.54 0.00 0.00 174.62 175.91 2hw0 h PHE 70 N 0.24 -0.43 -0.88 3.99 3.57 -1.98 0.28 116.94 121.73 2hw0 h PHE 70 Ca -0.39 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2hw0 h PHE 70 Cb 1.29 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 2hw0 h PHE 70 CO 0.33 -0.22 0.51 -0.97 -2.23 0.00 0.00 178.31 175.72 2hw0 h ASN 71 N -0.53 1.07 0.02 0.41 -0.73 -2.00 -2.55 115.58 111.26 2hw0 h ASN 71 Ca -0.05 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 2hw0 h ASN 71 Cb 0.40 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2hw0 h ASN 71 CO 0.08 0.84 -0.01 0.50 -0.37 0.00 0.00 177.43 178.47 2hw0 h LYS 72 N 1.21 -0.02 -0.27 6.67 3.11 -1.92 -2.67 116.57 122.68 2hw0 h LYS 72 Ca 0.31 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.23 2hw0 h LYS 72 Cb -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2hw0 h LYS 72 CO -0.05 0.25 0.35 0.28 -2.81 0.00 0.00 179.45 177.46 2hw0 h VAL 73 N -0.29 0.34 0.00 2.00 2.07 -0.25 0.31 116.25 120.43 2hw0 h VAL 73 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hw0 h VAL 73 Cb 0.28 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 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 -3.61 0.07 0.28 1.57 5.02 -0.98 -1.69 118.16 118.82 2hw0 n LYS 74 Ca 0.04 0.44 0.17 0.00 -2.02 0.00 0.00 58.31 56.94 2hw0 n LYS 74 Cb 0.49 -1.67 0.68 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.51 -0.10 115.95 122.55 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 0.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.29 2hw0 h TRP 75 CO 0.00 0.00 -1.47 0.66 -1.28 0.00 0.00 178.44 176.35 2hw0 n TYR 76 N -3.09 0.00 0.59 0.12 4.01 -0.68 -4.62 117.16 113.49 2hw0 n TYR 76 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.31 -0.33 0.43 0.00 -0.31 0.00 0.00 39.34 39.44 2hw0 n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2hw0 n LEU 77 N -3.45 0.28 -0.93 7.72 4.77 -0.89 -4.94 117.00 119.56 2hw0 n LEU 77 Ca -0.18 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 2hw0 n LEU 77 Cb 0.61 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.27 -0.36 0.61 -1.33 0.00 0.00 177.39 176.05 2hw0 n GLY 78 N 0.46 -3.32 0.14 -0.72 0.00 -0.05 -4.12 105.19 97.58 2hw0 n GLY 78 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.45 0.81 -0.89 4.61 0.00 -1.95 -3.22 119.26 118.17 2hw0 h ALA 79 Ca -0.07 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.43 2hw0 h ALA 79 Cb 0.75 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2hw0 h ALA 79 CO 0.03 0.74 0.51 0.00 0.00 0.00 0.00 179.25 180.52 2hw0 h ARG 80 N 0.00 0.75 -5.92 0.00 2.47 -1.95 -3.40 114.38 106.33 2hw0 h ARG 80 Ca -0.01 -0.04 -0.59 0.00 -1.26 0.00 0.00 59.98 58.08 2hw0 h ARG 80 Cb 1.21 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 29.29 2hw0 h ARG 80 CO 0.08 0.49 -0.15 0.00 0.56 0.00 0.00 179.97 180.96 2hw0 s HIS 82 N -0.32 3.43 0.03 0.00 2.46 -0.29 -4.82 115.29 115.78 2hw0 s HIS 82 Ca 0.26 1.31 0.05 0.00 0.47 0.00 0.00 55.06 57.15 2hw0 s HIS 82 Cb -0.16 -3.44 -0.03 0.00 -0.13 0.00 0.00 32.58 28.81 2hw0 s HIS 82 CO 0.13 -1.32 -0.09 0.42 -2.47 0.00 0.00 174.74 171.40 2hw0 s ILE 83 N 0.74 3.43 0.16 0.89 1.01 -1.26 -0.42 121.20 125.75 2hw0 s ILE 83 Ca 0.57 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 2hw0 s ILE 83 Cb -0.31 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2hw0 s ILE 83 CO 0.31 0.32 0.32 -1.61 0.00 0.00 0.00 174.94 174.29 2hw0 s GLU 84 N -1.59 1.16 0.02 2.79 2.02 -0.67 -4.98 118.70 117.45 2hw0 s GLU 84 Ca 0.18 -1.07 -0.26 0.00 0.02 0.00 0.00 54.97 53.83 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.48 2hw0 s GLU 84 CO 0.09 -0.44 0.82 -1.59 0.02 0.00 0.00 175.26 174.16 2hw0 s LYS 85 N -3.93 4.52 0.43 1.61 -2.85 -1.26 -0.11 119.74 118.14 2hw0 s LYS 85 Ca 0.14 1.14 -0.06 0.00 -1.00 0.00 0.00 55.97 56.19 2hw0 s LYS 85 Cb 0.03 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.35 2hw0 s LYS 85 CO -0.02 0.15 0.73 0.00 0.10 0.00 0.00 175.35 176.31 2hw0 s ALA 86 N 0.38 3.44 -0.10 0.59 0.00 -1.26 -4.86 121.76 119.95 2hw0 s ALA 86 Ca 0.42 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 2hw0 s ALA 86 Cb -0.20 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2hw0 s ALA 86 CO 0.24 -0.17 0.35 -1.59 0.00 0.00 0.00 175.76 174.59 2hw0 s LYS 87 N -4.34 0.50 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.82 2hw0 s LYS 87 Ca 0.47 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 2hw0 s LYS 87 Cb -0.10 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2hw0 s LYS 87 CO 0.39 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.16 2hw0 n GLY 88 N 2.40 0.73 3.95 0.59 0.00 -1.26 -4.76 105.19 106.84 2hw0 n GLY 88 Ca -0.16 -2.32 -0.26 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.77 2.18 0.28 2.61 -4.23 -1.26 -4.59 115.64 109.86 2hw0 s THR 89 Ca 0.00 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 2hw0 s THR 89 Cb 0.00 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.27 2hw0 s THR 89 CO 0.00 0.00 1.83 -2.24 -0.54 0.00 0.00 174.62 173.67 2hw0 h ASP 90 N -0.79 0.92 -0.06 3.99 2.03 -1.88 -0.36 116.42 120.26 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.80 2hw0 h ASP 90 Cb 1.28 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2hw0 h ASP 90 CO 0.48 0.48 -0.38 -0.61 -1.03 0.00 0.00 179.24 178.17 2hw0 h GLN 91 N 0.98 0.58 -0.59 4.15 5.75 -1.93 0.99 115.11 125.03 2hw0 h GLN 91 Ca 0.50 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 2hw0 h GLN 91 Cb 0.50 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 2hw0 h GLN 91 CO -0.27 0.87 0.07 1.96 -2.65 0.00 0.00 178.83 178.80 2hw0 h GLN 92 N 0.48 1.00 0.04 1.69 4.20 -1.47 0.11 115.11 121.15 2hw0 h GLN 92 Ca 0.04 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 2hw0 h GLN 92 Cb 0.88 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hw0 h GLN 92 CO 0.08 0.95 -0.59 -0.91 -0.67 0.00 0.00 178.83 177.69 2hw0 h ASN 93 N 0.89 0.45 -0.71 1.46 -0.26 -1.13 -2.01 115.58 114.27 2hw0 h ASN 93 Ca 0.18 -0.82 -0.02 0.00 -0.56 0.00 0.00 56.30 55.07 2hw0 h ASN 93 Cb 0.46 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 2hw0 h ASN 93 CO 0.02 1.22 0.37 0.50 -1.06 0.00 0.00 177.43 178.48 2hw0 h LYS 94 N -0.27 1.00 -0.18 0.81 3.64 -0.79 -2.54 116.57 118.25 2hw0 h LYS 94 Ca -0.08 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.01 2hw0 h LYS 94 Cb 1.35 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2hw0 h LYS 94 CO 0.11 0.76 -0.54 0.93 -2.27 0.00 0.00 179.45 178.44 2hw0 h GLU 95 N 0.98 0.53 -0.28 1.90 5.08 -0.87 -2.62 114.58 119.30 2hw0 h GLU 95 Ca 0.25 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2hw0 h GLU 95 Cb 0.07 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2hw0 h GLU 95 CO -0.04 0.94 0.06 -0.92 -1.00 0.00 0.00 179.01 178.04 2hw0 h TYR 96 N 0.41 0.09 -0.23 4.33 3.20 -1.00 0.26 116.97 124.03 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2hw0 h TYR 96 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2hw0 h TYR 96 CO 0.04 0.02 -0.31 0.00 -1.64 0.00 0.00 178.16 176.27 2hw0 h SER 98 N 0.40 0.00 0.00 0.00 4.64 -0.98 -3.11 113.55 114.50 2hw0 h SER 98 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2hw0 h SER 98 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2hw0 h SER 98 CO 0.06 0.00 -0.00 0.50 -0.87 0.00 0.00 176.83 176.52 2hw0 h LYS 99 N 0.00 0.00 0.00 4.77 3.64 -0.00 0.59 116.57 125.57 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hw0 h LYS 99 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 2hw0 n GLU 100 N -3.11 0.06 0.00 1.90 -0.58 -1.18 -4.88 120.64 112.86 2hw0 n GLU 100 Ca -0.03 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2hw0 n GLU 100 Cb 0.07 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2hw0 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hw0 n GLY 101 N 0.33 2.83 3.15 0.62 0.00 0.20 -4.65 105.19 107.67 2hw0 n GLY 101 Ca 0.05 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2hw0 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hw0 s ASN 102 N 0.33 1.27 -0.12 1.61 4.22 -1.26 -5.07 114.94 115.92 2hw0 s ASN 102 Ca 0.00 -0.81 -0.03 0.00 -2.14 0.00 0.00 52.86 49.88 2hw0 s ASN 102 Cb 0.00 0.03 -0.03 0.00 1.28 0.00 0.00 41.25 42.53 2hw0 s ASN 102 CO 0.00 -0.30 -0.03 -0.76 -2.04 0.00 0.00 177.10 173.97 2hw0 s LEU 103 N -2.44 3.36 0.27 3.54 1.43 -1.26 -2.28 118.68 121.30 2hw0 s LEU 103 Ca 0.04 -0.02 0.22 0.00 -1.03 0.00 0.00 54.13 53.34 2hw0 s LEU 103 Cb -0.02 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.51 2hw0 s LEU 103 CO -0.01 0.26 1.22 0.25 0.23 0.00 0.00 176.35 178.29 2hw0 h LEU 104 N 6.04 0.00 -7.00 1.79 5.85 -1.08 -3.45 115.31 117.47 2hw0 h LEU 104 Ca -0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2hw0 h LEU 104 Cb 1.19 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.97 2hw0 h LEU 104 CO 0.59 0.03 0.33 -0.32 -0.34 0.00 0.00 178.44 178.74 2hw0 s MET 105 N -3.29 0.55 -0.26 1.25 0.00 -1.12 -4.95 119.30 111.48 2hw0 s MET 105 Ca 0.02 0.76 -0.00 0.00 0.00 0.00 0.00 55.69 56.46 2hw0 s MET 105 Cb 0.08 0.22 0.08 0.00 0.00 0.00 0.00 34.83 35.20 2hw0 s MET 105 CO 0.75 -0.08 0.02 -2.00 0.00 0.00 0.00 175.02 173.71 2hw0 s GLU 106 N 0.70 1.15 0.33 4.11 2.12 -1.26 -1.80 118.70 124.04 2hw0 s GLU 106 Ca -0.02 -1.01 -0.07 0.00 0.36 0.00 0.00 54.97 54.22 2hw0 s GLU 106 Cb -0.05 -2.39 0.01 0.00 0.26 0.00 0.00 34.13 31.96 2hw0 s GLU 106 CO -0.09 -0.76 0.53 0.00 -0.54 0.00 0.00 175.26 174.40 2hw0 n GLY 108 N -0.51 -1.95 3.72 0.00 0.00 -1.26 -2.33 105.19 102.85 2hw0 n GLY 108 Ca -0.01 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.53 3.34 -1.17 4.61 0.00 0.78 -4.76 121.76 123.02 2hw0 s ALA 109 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 2hw0 s ALA 109 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 2hw0 s ALA 109 CO 0.00 0.26 1.93 -0.35 0.00 0.00 0.00 175.76 177.61 2hw0 n PRO 110 N -1.00 1.59 -2.23 0.00 -0.04 -1.26 -4.32 135.00 127.74 2hw0 n PRO 110 Ca -0.07 -2.44 -0.42 0.00 -0.04 0.00 0.00 63.50 60.52 2hw0 n PRO 110 Cb 0.58 -3.70 -0.03 0.00 -0.04 0.00 0.00 33.50 30.31 2hw0 n PRO 110 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2hw0 s ARG 111 N 6.42 4.28 0.48 0.54 1.81 -1.26 -4.85 118.95 126.37 2hw0 s ARG 111 Ca 0.68 1.95 0.03 0.00 -1.72 0.00 0.00 55.73 56.67 2hw0 s ARG 111 Cb -0.00 -3.61 0.03 0.00 -0.45 0.00 0.00 34.95 30.92 2hw0 s ARG 111 CO 0.14 -0.60 0.26 0.43 -0.68 0.00 0.00 175.30 174.85 2hw0 n SER 112 N 5.56 2.79 -4.17 0.23 7.64 -1.26 -3.41 113.62 120.99 2hw0 n SER 112 Ca 0.13 -2.80 -0.13 0.00 1.01 0.00 0.00 58.87 57.08 2hw0 n SER 112 Cb 0.44 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2hw0 s GLN 113 N -3.92 0.84 0.00 1.43 0.74 -1.26 -4.83 119.66 112.66 2hw0 s GLN 113 Ca 0.20 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.41 2hw0 s GLN 113 Cb -0.02 -0.46 0.00 0.00 1.10 0.00 0.00 33.01 33.64 2hw0 s GLN 113 CO 0.12 0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.33 2hw0 n GLY 114 N 0.42 -0.04 0.08 2.59 0.00 -1.26 -4.93 105.19 102.05 2hw0 n GLY 114 Ca -0.15 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.00 1.61 4.15 -2.06 -3.56 115.11 115.25 2hw0 h GLN 115 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2hw0 h GLN 115 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2hw0 h GLN 115 CO 0.00 0.55 0.00 -2.13 -1.93 0.00 0.00 178.83 175.32