#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 1.62 0.38 3.54 1.04 -1.26 -5.18 113.70 113.84 2hw0 s SER 3 Ca 0.00 -1.45 0.04 0.00 0.48 0.00 0.00 55.95 55.02 2hw0 s SER 3 Cb 0.00 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2hw0 s SER 3 CO 0.00 -0.76 0.16 -0.54 0.98 0.00 0.00 173.24 173.08 2hw0 s LYS 4 N -3.93 1.85 -0.15 4.02 -0.14 -1.26 -5.15 119.74 114.98 2hw0 s LYS 4 Ca 0.36 -2.11 0.01 0.00 -1.36 0.00 0.00 55.97 52.88 2hw0 s LYS 4 Cb 0.07 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.88 2hw0 s LYS 4 CO 0.15 -0.51 -0.19 0.15 -0.76 0.00 0.00 175.35 174.19 2hw0 s LYS 5 N -3.67 3.12 -0.11 1.68 1.02 -1.26 -5.11 119.74 115.40 2hw0 s LYS 5 Ca 0.29 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2hw0 s LYS 5 Cb 0.03 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2hw0 s LYS 5 CO 0.18 0.01 -0.15 1.21 -0.92 0.00 0.00 175.35 175.67 2hw0 s ASN 6 N 0.80 3.82 -0.28 2.83 3.84 -1.26 -5.10 114.94 119.59 2hw0 s ASN 6 Ca -0.06 -0.36 -0.28 0.00 0.21 0.00 0.00 52.86 52.37 2hw0 s ASN 6 Cb -0.15 -1.48 0.19 0.00 -0.55 0.00 0.00 41.25 39.25 2hw0 s ASN 6 CO -0.01 0.18 1.36 -0.83 -2.79 0.00 0.00 177.10 175.02 2hw0 s GLY 7 N 0.23 0.16 0.03 1.21 0.00 -1.26 -5.19 107.32 102.51 2hw0 s GLY 7 Ca -0.10 3.05 -0.27 0.00 0.00 0.00 0.00 44.72 47.39 2hw0 s GLY 7 CO 0.06 1.42 0.77 -1.60 0.00 0.00 0.00 173.10 173.75 2hw0 s ARG 8 N -0.62 0.99 0.06 2.90 3.52 -1.26 -5.19 118.95 119.36 2hw0 s ARG 8 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2hw0 s ARG 8 Cb -0.02 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.83 2hw0 s ARG 8 CO -0.10 -0.40 0.04 0.43 -0.81 0.00 0.00 175.30 174.45 2hw0 n SER 9 N 0.01 1.43 0.00 -2.12 7.64 -1.26 -5.07 113.62 114.24 2hw0 n SER 9 Ca -0.13 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.51 2hw0 n SER 9 Cb 0.62 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 4.23 -2.74 3.70 0.23 0.00 -1.26 -4.57 105.19 104.77 2hw0 n GLY 10 Ca -0.01 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.70 4.29 0.12 1.61 0.04 -1.26 -5.03 135.00 132.07 2hw0 s PRO 11 Ca 0.00 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2hw0 s PRO 11 Cb 0.00 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2hw0 s PRO 11 CO 0.00 -0.53 -0.10 1.14 0.04 0.00 0.00 177.00 177.55 2hw0 s GLN 12 N 1.96 0.93 0.49 4.56 -2.07 -1.26 -5.10 119.66 119.18 2hw0 s GLN 12 Ca 0.65 -1.29 -0.21 0.00 -1.82 0.00 0.00 55.36 52.68 2hw0 s GLN 12 Cb -0.34 -0.55 -0.07 0.00 -1.09 0.00 0.00 33.01 30.96 2hw0 s GLN 12 CO 0.28 0.07 1.15 -1.25 -1.32 0.00 0.00 175.29 174.23 2hw0 s PRO 13 N -3.25 3.59 0.34 9.60 0.04 -1.26 -4.87 135.00 139.18 2hw0 s PRO 13 Ca 0.10 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2hw0 s PRO 13 Cb -0.00 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2hw0 s PRO 13 CO -0.00 -0.67 0.23 -1.01 0.04 0.00 0.00 177.00 175.59 2hw0 s HIS 14 N -1.64 1.72 -0.53 0.56 3.76 -0.48 -4.69 115.29 113.99 2hw0 s HIS 14 Ca 0.67 -1.55 0.16 0.00 -0.15 0.00 0.00 55.06 54.19 2hw0 s HIS 14 Cb -0.26 -0.81 0.70 0.00 1.11 0.00 0.00 32.58 33.31 2hw0 s HIS 14 CO 0.31 -0.72 1.61 0.36 -0.85 0.00 0.00 174.74 175.46 2hw0 n LYS 15 N -0.67 4.00 -3.76 1.40 0.00 -1.26 -2.33 118.16 115.54 2hw0 n LYS 15 Ca 0.04 -2.95 -0.17 0.00 -0.00 0.00 0.00 58.31 55.22 2hw0 n LYS 15 Cb 0.63 -2.01 -0.17 0.00 -0.00 0.00 0.00 35.03 33.49 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 -2.41 0.03 -0.16 -1.58 0.52 -1.26 -0.05 118.95 114.04 2hw0 s ARG 16 Ca 0.49 0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.81 2hw0 s ARG 16 Cb 0.36 -0.41 0.05 0.00 0.52 0.00 0.00 34.95 35.47 2hw0 s ARG 16 CO 0.17 -0.22 0.41 -1.58 0.02 0.00 0.00 175.30 174.10 2hw0 s TRP 17 N 1.48 -0.51 0.28 -0.53 0.52 -1.00 -4.40 118.94 114.79 2hw0 s TRP 17 Ca -0.04 1.17 0.09 0.00 0.02 0.00 0.00 56.10 57.34 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.03 -0.26 0.09 0.14 0.02 0.00 0.00 176.95 176.91 2hw0 s VAL 18 N 0.63 3.61 0.02 4.03 -7.23 0.73 -2.30 120.40 119.89 2hw0 s VAL 18 Ca -0.03 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2hw0 s VAL 18 Cb -0.05 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 2hw0 s VAL 18 CO -0.04 -0.32 -0.08 0.72 -0.31 0.00 0.00 175.10 175.07 2hw0 s PHE 19 N -2.30 0.68 -0.14 2.82 -0.71 -0.79 -1.75 117.98 115.80 2hw0 s PHE 19 Ca 0.33 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.86 2hw0 s PHE 19 Cb -0.06 -0.42 0.06 0.00 -1.21 0.00 0.00 43.02 41.39 2hw0 s PHE 19 CO 0.22 -0.03 0.33 0.95 -1.34 0.00 0.00 175.22 175.34 2hw0 s THR 20 N -0.74 -0.09 -0.01 -4.49 -4.23 0.27 -2.46 115.64 103.89 2hw0 s THR 20 Ca -0.03 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2hw0 s THR 20 Cb -0.06 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.30 2hw0 s THR 20 CO 0.00 0.06 0.02 -0.22 -0.54 0.00 0.00 174.62 173.94 2hw0 s LEU 21 N 1.48 1.50 0.00 4.79 2.96 -0.84 -1.30 118.68 127.27 2hw0 s LEU 21 Ca -0.08 0.03 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 2hw0 s LEU 21 Cb -0.10 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 2hw0 s LEU 21 CO -0.11 -0.07 0.87 0.21 -1.32 0.00 0.00 176.35 175.93 2hw0 s ASN 22 N 0.58 7.26 -0.91 3.68 3.04 -1.26 -0.65 114.94 126.67 2hw0 s ASN 22 Ca -0.05 1.51 -0.07 0.00 0.04 0.00 0.00 52.86 54.29 2hw0 s ASN 22 Cb -0.07 -2.51 -0.01 0.00 -1.54 0.00 0.00 41.25 37.12 2hw0 s ASN 22 CO -0.02 -0.16 0.71 -3.20 -3.04 0.00 0.00 177.10 171.40 2hw0 n ASN 23 N 3.58 -6.10 -4.77 -4.21 4.05 0.89 -4.92 115.26 103.77 2hw0 n ASN 23 Ca 0.02 -0.67 -0.37 0.00 0.45 0.00 0.00 54.58 54.02 2hw0 n ASN 23 Cb 0.51 -3.62 -0.01 0.00 1.23 0.00 0.00 39.78 37.89 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 -4.60 3.68 0.37 1.20 0.04 -1.26 -5.03 135.00 129.40 2hw0 s PRO 24 Ca 0.18 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2hw0 s PRO 24 Cb -0.06 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2hw0 s PRO 24 CO 0.83 -0.61 0.64 -1.12 0.04 0.00 0.00 177.00 176.77 2hw0 s SER 25 N -1.44 6.35 0.49 6.66 0.01 -1.26 -4.90 113.70 119.60 2hw0 s SER 25 Ca 0.65 0.72 0.14 0.00 1.31 0.00 0.00 55.95 58.77 2hw0 s SER 25 Cb -0.28 -2.15 1.14 0.00 0.21 0.00 0.00 66.02 64.95 2hw0 s SER 25 CO 0.33 -0.35 2.10 -0.33 0.41 0.00 0.00 173.24 175.40 2hw0 h GLU 26 N 0.92 0.10 -0.10 12.44 5.08 -1.97 0.22 114.58 131.26 2hw0 h GLU 26 Ca -0.48 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2hw0 h GLU 26 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hw0 h GLU 26 CO 0.63 0.10 -0.30 -0.44 -1.00 0.00 0.00 179.01 178.00 2hw0 h ASP 27 N 0.10 0.45 -0.10 1.42 5.19 -1.99 -1.86 116.42 119.64 2hw0 h ASP 27 Ca 0.03 -0.60 -0.05 0.00 -0.62 0.00 0.00 57.03 55.79 2hw0 h ASP 27 Cb 0.05 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2hw0 h ASP 27 CO -0.00 0.97 -0.12 -0.08 -3.12 0.00 0.00 179.24 176.89 2hw0 h GLU 28 N -0.05 0.25 -0.18 3.56 4.57 -1.84 -2.51 114.58 118.38 2hw0 h GLU 28 Ca -0.01 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2hw0 h GLU 28 Cb 0.92 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2hw0 h GLU 28 CO 0.07 0.69 0.07 0.07 -1.18 0.00 0.00 179.01 178.73 2hw0 h ARG 29 N -0.18 0.25 -0.24 1.92 0.11 -0.68 -2.00 114.38 113.56 2hw0 h ARG 29 Ca 0.01 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.90 2hw0 h ARG 29 Cb 0.66 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 2hw0 h ARG 29 CO 0.03 0.22 -0.54 -0.22 0.10 0.00 0.00 179.97 179.56 2hw0 h LYS 30 N 0.25 0.71 0.20 0.08 3.64 -1.26 -1.86 116.57 118.34 2hw0 h LYS 30 Ca 0.06 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2hw0 h LYS 30 Cb 0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hw0 h LYS 30 CO -0.01 1.07 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.92 2hw0 h LYS 31 N 0.55 -0.26 -0.68 1.90 3.11 -0.92 0.29 116.57 120.55 2hw0 h LYS 31 Ca 0.01 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 2hw0 h LYS 31 Cb 1.11 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 2hw0 h LYS 31 CO 0.11 -0.08 0.32 0.82 -2.81 0.00 0.00 179.45 177.81 2hw0 h ILE 32 N -0.39 1.23 0.00 2.00 2.04 -1.51 -1.28 117.51 119.61 2hw0 h ILE 32 Ca -0.03 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2hw0 h ILE 32 Cb 0.30 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2hw0 h ILE 32 CO 0.05 0.27 -0.08 -0.09 0.00 0.00 0.00 178.15 178.30 2hw0 h ARG 33 N 0.95 0.00 -0.65 2.37 2.43 -1.22 -2.47 114.38 115.78 2hw0 h ARG 33 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 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 0.08 0.00 -3.47 -1.51 0.00 0.00 179.97 175.04 2hw0 n ASP 34 N -3.19 3.68 -4.71 -3.80 2.03 0.99 -4.98 116.55 106.57 2hw0 n ASP 34 Ca 0.01 -2.00 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.37 -0.44 0.14 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.07 2.87 -0.10 -2.67 1.43 -0.56 -4.93 118.68 113.66 2hw0 s LEU 35 Ca 0.46 2.04 -0.29 0.00 -1.03 0.00 0.00 54.13 55.30 2hw0 s LEU 35 Cb 0.24 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.90 2hw0 s LEU 35 CO 0.32 -2.74 1.52 -2.16 0.23 0.00 0.00 176.35 173.52 2hw0 s PRO 36 N -4.74 4.19 0.25 1.29 0.04 -1.26 -4.91 135.00 129.86 2hw0 s PRO 36 Ca 0.65 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.72 2hw0 s PRO 36 Cb -0.21 -3.91 0.29 0.00 0.04 0.00 0.00 34.50 30.71 2hw0 s PRO 36 CO 0.57 -0.81 1.60 -0.84 0.04 0.00 0.00 177.00 177.57 2hw0 h ILE 37 N 5.56 1.34 0.00 0.56 3.07 -1.91 -2.70 117.51 123.43 2hw0 h ILE 37 Ca -0.35 -1.74 0.00 0.00 1.55 0.00 0.00 64.86 64.32 2hw0 h ILE 37 Cb 1.15 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2hw0 h ILE 37 CO 0.96 0.52 0.00 0.77 -1.05 0.00 0.00 178.15 179.36 2hw0 h SER 38 N 0.26 0.00 1.04 2.16 4.64 -1.99 -2.39 113.55 117.27 2hw0 h SER 38 Ca 0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 2hw0 h SER 38 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2hw0 h SER 38 CO 0.08 0.00 -0.72 0.25 -0.87 0.00 0.00 176.83 175.57 2hw0 h LEU 39 N 0.00 0.00 -7.75 5.97 6.46 -1.88 -3.43 115.31 114.68 2hw0 h LEU 39 Ca 0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 2hw0 h LEU 39 Cb 0.37 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.93 2hw0 h LEU 39 CO 0.00 0.72 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.37 2hw0 s PHE 40 N -3.06 2.09 0.54 1.25 0.40 -0.90 -2.28 117.98 116.02 2hw0 s PHE 40 Ca 0.01 -1.31 0.31 0.00 -0.60 0.00 0.00 56.93 55.34 2hw0 s PHE 40 Cb 0.10 -1.51 1.47 0.00 0.51 0.00 0.00 43.02 43.59 2hw0 s PHE 40 CO 0.77 -0.68 1.90 -0.44 0.70 0.00 0.00 175.22 177.48 2hw0 h ASP 41 N 8.05 0.01 -3.37 1.36 3.32 -1.66 -3.38 116.42 120.74 2hw0 h ASP 41 Ca -0.29 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.43 2hw0 h ASP 41 Cb 1.11 -0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2hw0 h ASP 41 CO 0.46 0.00 -0.71 -0.47 -1.72 0.00 0.00 179.24 176.80 2hw0 s TYR 42 N -4.99 0.01 -0.13 4.55 5.04 -1.25 -0.87 117.35 119.71 2hw0 s TYR 42 Ca -0.05 0.27 -0.02 0.00 -2.44 0.00 0.00 57.07 54.84 2hw0 s TYR 42 Cb 0.21 -0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.22 2hw0 s TYR 42 CO 0.77 -0.16 -0.01 0.12 -1.34 0.00 0.00 175.55 174.93 2hw0 s PHE 43 N 1.74 1.06 -0.09 4.97 2.19 -1.01 -0.15 117.98 126.69 2hw0 s PHE 43 Ca -0.01 -0.61 -0.02 0.00 0.33 0.00 0.00 56.93 56.62 2hw0 s PHE 43 Cb -0.12 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.61 2hw0 s PHE 43 CO -0.04 -0.49 0.03 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.84 0.23 0.08 3.12 2.07 -0.29 -1.45 121.20 126.80 2hw0 s ILE 44 Ca 0.02 0.07 0.10 0.00 -1.41 0.00 0.00 60.65 59.43 2hw0 s ILE 44 Cb -0.14 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 2hw0 s ILE 44 CO -0.07 0.12 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.02 2.32 -0.02 4.00 1.01 -0.26 0.04 120.40 129.52 2hw0 s VAL 45 Ca 0.04 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.53 2hw0 s VAL 45 Cb -0.13 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2hw0 s VAL 45 CO -0.05 0.25 -0.02 -0.83 0.00 0.00 0.00 175.10 174.44 2hw0 s GLY 46 N -1.62 0.24 -0.09 4.51 0.00 -0.33 -1.32 107.32 108.71 2hw0 s GLY 46 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 2hw0 s GLY 46 CO 0.04 0.20 0.40 1.85 0.00 0.00 0.00 173.10 175.60 2hw0 s GLU 47 N 0.44 4.16 0.16 2.90 2.12 -0.17 -2.28 118.70 126.04 2hw0 s GLU 47 Ca -0.05 0.35 0.09 0.00 0.36 0.00 0.00 54.97 55.72 2hw0 s GLU 47 Cb -0.08 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2hw0 s GLU 47 CO -0.01 0.37 -0.15 -2.00 -0.54 0.00 0.00 175.26 172.93 2hw0 s GLU 48 N -0.04 1.85 0.00 4.30 -6.30 0.30 -4.23 118.70 114.59 2hw0 s GLU 48 Ca 0.23 -1.30 0.00 0.00 -2.50 0.00 0.00 54.97 51.40 2hw0 s GLU 48 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 34.13 31.91 2hw0 s GLU 48 CO 0.10 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2hw0 n GLY 49 N 0.32 -0.02 2.40 -1.50 0.00 -1.26 -0.18 105.19 104.94 2hw0 n GLY 49 Ca -0.13 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 7.53 -3.54 1.61 4.05 -1.26 -4.84 115.26 118.81 2hw0 n ASN 50 Ca 0.00 -3.71 -0.18 0.00 0.45 0.00 0.00 54.58 51.14 2hw0 n ASN 50 Cb 0.00 -1.01 -0.14 0.00 1.23 0.00 0.00 39.78 39.86 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 -3.62 0.15 0.58 1.20 2.56 -1.26 -5.14 118.70 113.17 2hw0 s GLU 51 Ca 0.59 0.30 -0.21 0.00 0.00 0.00 0.00 54.97 55.65 2hw0 s GLU 51 Cb 0.47 -0.98 -0.04 0.00 2.00 0.00 0.00 34.13 35.58 2hw0 s GLU 51 CO -0.09 -0.57 1.33 -1.91 -0.56 0.00 0.00 175.26 173.46 2hw0 n GLU 52 N 5.32 1.51 0.00 4.30 2.13 -1.26 -2.55 120.64 130.08 2hw0 n GLU 52 Ca -0.05 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2hw0 n GLU 52 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2hw0 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hw0 n GLY 53 N 0.82 3.29 3.57 8.31 0.00 -1.26 -5.02 105.19 114.91 2hw0 n GLY 53 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.60 2.07 0.51 1.61 3.52 -1.06 -5.13 118.95 119.86 2hw0 s ARG 54 Ca 0.00 -1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 54.18 2hw0 s ARG 54 Cb 0.00 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 2hw0 s ARG 54 CO 0.00 0.41 0.85 0.95 -0.81 0.00 0.00 175.30 176.70 2hw0 s THR 55 N -1.89 4.83 0.87 4.11 -4.23 -1.26 -4.85 115.64 113.22 2hw0 s THR 55 Ca 0.26 0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.12 2hw0 s THR 55 Cb -0.08 -3.85 0.11 0.00 1.34 0.00 0.00 72.50 70.03 2hw0 s THR 55 CO 0.16 -0.88 1.09 -2.16 -0.54 0.00 0.00 174.62 172.29 2hw0 s PRO 56 N -4.71 1.46 -0.00 3.99 0.04 -1.26 -4.79 135.00 129.72 2hw0 s PRO 56 Ca 0.50 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 2hw0 s PRO 56 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2hw0 s PRO 56 CO 0.45 -2.12 0.01 -1.58 0.04 0.00 0.00 177.00 173.80 2hw0 s HIS 57 N -2.93 0.00 -0.12 0.56 2.46 0.74 -0.08 115.29 115.93 2hw0 s HIS 57 Ca 0.63 0.02 -0.13 0.00 0.47 0.00 0.00 55.06 56.05 2hw0 s HIS 57 Cb -0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.57 -0.01 0.31 -0.51 -2.47 0.00 0.00 174.74 172.62 2hw0 s LEU 58 N 0.13 4.31 -0.24 8.88 1.43 0.17 -0.54 118.68 132.82 2hw0 s LEU 58 Ca -0.01 0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2hw0 s LEU 58 Cb -0.02 -2.40 0.13 0.00 0.03 0.00 0.00 46.19 43.93 2hw0 s LEU 58 CO -0.00 0.17 0.41 -1.58 0.23 0.00 0.00 176.35 175.58 2hw0 s GLN 59 N -0.01 0.36 0.14 1.70 2.00 -0.96 -1.98 119.66 120.91 2hw0 s GLN 59 Ca 0.18 0.67 -0.09 0.00 -2.00 0.00 0.00 55.36 54.12 2hw0 s GLN 59 Cb -0.14 -0.24 -0.00 0.00 0.80 0.00 0.00 33.01 33.43 2hw0 s GLN 59 CO 0.06 -0.57 0.26 0.20 -0.50 0.00 0.00 175.29 174.74 2hw0 s GLY 60 N 2.59 0.33 -0.01 2.59 0.00 -1.03 -1.19 107.32 110.59 2hw0 s GLY 60 Ca 0.11 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 44.11 2hw0 s GLY 60 CO -0.16 -0.80 -0.17 -0.12 0.00 0.00 0.00 173.10 171.85 2hw0 s PHE 61 N -3.93 1.51 -0.02 1.90 5.36 0.11 -1.89 117.98 121.02 2hw0 s PHE 61 Ca 0.13 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 2hw0 s PHE 61 Cb 0.04 -0.97 0.01 0.00 -0.34 0.00 0.00 43.02 41.76 2hw0 s PHE 61 CO -0.04 -0.03 -0.02 0.00 -1.46 0.00 0.00 175.22 173.67 2hw0 s ALA 62 N -0.38 0.34 -0.37 11.12 0.00 -0.97 -1.14 121.76 130.36 2hw0 s ALA 62 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2hw0 s ALA 62 Cb -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2hw0 s ALA 62 CO -0.01 -0.00 0.39 -0.80 0.00 0.00 0.00 175.76 175.35 2hw0 s ASN 63 N 0.52 6.19 0.07 0.00 0.01 0.78 -2.36 114.94 120.15 2hw0 s ASN 63 Ca -0.05 -0.35 -0.31 0.00 -0.71 0.00 0.00 52.86 51.44 2hw0 s ASN 63 Cb -0.08 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.30 2hw0 s ASN 63 CO -0.01 -0.42 1.44 -0.36 -1.51 0.00 0.00 177.10 176.24 2hw0 s PHE 64 N 2.08 2.97 0.60 2.20 0.08 0.93 -2.43 117.98 124.41 2hw0 s PHE 64 Ca 0.12 0.80 0.34 0.00 0.12 0.00 0.00 56.93 58.30 2hw0 s PHE 64 Cb -0.17 -3.73 1.97 0.00 -0.57 0.00 0.00 43.02 40.53 2hw0 s PHE 64 CO 0.12 -2.67 2.28 0.28 -0.10 0.00 0.00 175.22 175.14 2hw0 h VAL 65 N 4.57 0.39 -4.11 -0.44 2.07 -1.74 -3.42 116.25 113.58 2hw0 h VAL 65 Ca -0.41 -0.02 -0.28 0.00 0.82 0.00 0.00 66.70 66.82 2hw0 h VAL 65 Cb 1.20 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2hw0 h VAL 65 CO 0.89 0.00 -0.22 2.29 0.02 0.00 0.00 177.57 180.55 2hw0 n LYS 66 N -3.64 1.03 -3.22 1.57 0.00 -1.26 -5.01 118.16 107.62 2hw0 n LYS 66 Ca -0.03 -1.66 -0.40 0.00 -0.00 0.00 0.00 58.31 56.23 2hw0 n LYS 66 Cb 0.08 0.72 -0.07 0.00 -0.00 0.00 0.00 35.03 35.76 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 -2.78 4.16 0.06 -1.58 -0.14 -1.26 -4.20 119.74 114.01 2hw0 s LYS 67 Ca 0.06 0.43 0.02 0.00 -1.36 0.00 0.00 55.97 55.12 2hw0 s LYS 67 Cb 0.00 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 2hw0 s LYS 67 CO 0.04 -0.23 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.67 2hw0 s GLN 68 N 1.90 0.66 0.60 1.68 -1.52 -0.98 -4.87 119.66 117.12 2hw0 s GLN 68 Ca 0.24 -0.95 -0.00 0.00 -1.95 0.00 0.00 55.36 52.70 2hw0 s GLN 68 Cb -0.15 -0.34 0.05 0.00 -0.22 0.00 0.00 33.01 32.35 2hw0 s GLN 68 CO 0.09 0.05 0.84 0.95 -0.25 0.00 0.00 175.29 176.98 2hw0 s THR 69 N -1.99 2.52 0.06 -0.19 -4.23 -1.26 -1.39 115.64 109.16 2hw0 s THR 69 Ca -0.03 -0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 2hw0 s THR 69 Cb -0.06 -2.91 -0.17 0.00 1.34 0.00 0.00 72.50 70.70 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 -0.12 -0.40 -0.76 3.99 3.57 -1.98 0.31 116.94 121.55 2hw0 h PHE 70 Ca -0.41 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2hw0 h PHE 70 Cb 1.29 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 2hw0 h PHE 70 CO 0.26 -0.19 0.42 -0.97 -2.23 0.00 0.00 178.31 175.60 2hw0 h ASN 71 N -0.52 0.95 -0.02 0.41 -0.73 -2.00 -2.57 115.58 111.09 2hw0 h ASN 71 Ca -0.04 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 2hw0 h ASN 71 Cb 0.39 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 2hw0 h ASN 71 CO 0.07 0.77 0.00 0.50 -0.37 0.00 0.00 177.43 178.41 2hw0 h LYS 72 N 1.05 0.04 -0.31 6.67 3.11 -1.92 -2.62 116.57 122.58 2hw0 h LYS 72 Ca 0.27 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.19 2hw0 h LYS 72 Cb 0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2hw0 h LYS 72 CO -0.04 0.27 0.36 0.28 -2.81 0.00 0.00 179.45 177.51 2hw0 h VAL 73 N -0.21 0.38 0.00 2.00 2.07 -0.21 0.31 116.25 120.59 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 0.26 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 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 -3.69 0.08 0.28 1.57 5.02 -0.98 -1.67 118.16 118.77 2hw0 n LYS 74 Ca 0.05 0.46 0.18 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.51 -1.70 0.75 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.48 115.95 123.14 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 26.27 2hw0 h TRP 75 CO 0.00 0.00 -1.46 0.66 -1.28 0.00 0.00 178.44 176.36 2hw0 n TYR 76 N -3.08 0.00 0.60 0.12 4.01 -0.67 -4.62 117.16 113.52 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.28 -0.33 0.43 0.00 -0.31 0.00 0.00 39.34 39.41 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 -3.44 0.25 -0.91 7.72 4.77 -0.94 -4.94 117.00 119.51 2hw0 n LEU 77 Ca -0.18 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 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 -0.26 -0.34 0.61 -1.33 0.00 0.00 177.39 176.08 2hw0 n GLY 78 N 0.47 -3.33 0.14 -0.72 0.00 0.16 -4.15 105.19 97.75 2hw0 n GLY 78 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.38 0.80 -0.88 4.61 0.00 -1.95 -3.22 119.26 118.23 2hw0 h ALA 79 Ca -0.06 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.44 2hw0 h ALA 79 Cb 0.71 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2hw0 h ALA 79 CO 0.02 0.74 0.49 0.00 0.00 0.00 0.00 179.25 180.51 2hw0 h ARG 80 N 0.00 0.73 -5.93 0.00 3.08 -1.95 -3.40 114.38 106.92 2hw0 h ARG 80 Ca -0.01 -0.04 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 2hw0 h ARG 80 Cb 1.22 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 2hw0 h ARG 80 CO 0.08 0.48 -0.15 0.00 -1.07 0.00 0.00 179.97 179.31 2hw0 s HIS 82 N -0.34 3.43 -0.01 0.00 2.46 -0.42 -4.82 115.29 115.59 2hw0 s HIS 82 Ca 0.26 1.33 0.04 0.00 0.47 0.00 0.00 55.06 57.15 2hw0 s HIS 82 Cb -0.16 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 28.82 2hw0 s HIS 82 CO 0.13 -1.29 -0.10 0.42 -2.47 0.00 0.00 174.74 171.43 2hw0 s ILE 83 N 0.64 3.37 0.17 0.89 1.01 -1.26 -0.57 121.20 125.46 2hw0 s ILE 83 Ca 0.57 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 2hw0 s ILE 83 Cb -0.31 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2hw0 s ILE 83 CO 0.32 0.46 0.34 -0.70 0.00 0.00 0.00 174.94 175.36 2hw0 s GLU 84 N -1.16 1.20 0.04 2.79 2.12 -0.72 -4.98 118.70 118.00 2hw0 s GLU 84 Ca 0.15 -1.09 -0.28 0.00 0.36 0.00 0.00 54.97 54.10 2hw0 s GLU 84 Cb -0.11 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.65 2hw0 s GLU 84 CO 0.04 -0.46 0.88 0.15 -0.54 0.00 0.00 175.26 175.34 2hw0 s LYS 85 N -3.94 4.57 0.48 4.30 1.02 -1.26 -0.20 119.74 124.71 2hw0 s LYS 85 Ca 0.15 1.26 -0.08 0.00 0.02 0.00 0.00 55.97 57.32 2hw0 s LYS 85 Cb 0.02 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2hw0 s LYS 85 CO -0.01 0.14 0.82 0.00 -0.92 0.00 0.00 175.35 175.39 2hw0 s ALA 86 N 0.35 3.33 -0.00 5.17 0.00 -1.26 -4.87 121.76 124.48 2hw0 s ALA 86 Ca 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2hw0 s ALA 86 Cb -0.21 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 2hw0 s ALA 86 CO 0.26 -0.29 0.02 -1.59 0.00 0.00 0.00 175.76 174.15 2hw0 s LYS 87 N -4.50 0.11 0.00 0.00 -2.85 -1.26 -5.00 119.74 106.24 2hw0 s LYS 87 Ca 0.50 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 2hw0 s LYS 87 Cb -0.10 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 2hw0 s LYS 87 CO 0.42 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 176.26 2hw0 n GLY 88 N 2.67 2.04 3.81 0.59 0.00 -1.26 -4.72 105.19 108.32 2hw0 n GLY 88 Ca -0.15 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.87 1.92 0.27 2.61 -4.23 -1.26 -4.63 115.64 108.45 2hw0 s THR 89 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2hw0 s THR 89 Cb 0.00 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.29 2hw0 s THR 89 CO 0.00 0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.66 2hw0 h ASP 90 N -1.72 0.85 -0.02 3.99 2.03 -1.91 -0.61 116.42 119.03 2hw0 h ASP 90 Ca -0.47 0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 55.74 2hw0 h ASP 90 Cb 1.29 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2hw0 h ASP 90 CO 0.48 0.45 -0.45 -0.61 -1.03 0.00 0.00 179.24 178.08 2hw0 h GLN 91 N 0.93 0.56 -0.73 4.15 5.75 -1.92 -1.53 115.11 122.31 2hw0 h GLN 91 Ca 0.47 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 2hw0 h GLN 91 Cb 0.47 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 2hw0 h GLN 91 CO -0.27 0.90 0.31 1.96 -2.65 0.00 0.00 178.83 179.08 2hw0 h GLN 92 N 0.45 1.08 -0.11 1.69 4.20 -1.49 0.17 115.11 121.11 2hw0 h GLN 92 Ca 0.03 -0.19 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 2hw0 h GLN 92 Cb 0.96 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hw0 h GLN 92 CO 0.09 0.88 -0.62 -0.91 -0.67 0.00 0.00 178.83 177.60 2hw0 h ASN 93 N 1.04 0.73 -0.44 1.46 -0.26 -1.20 -1.33 115.58 115.58 2hw0 h ASN 93 Ca 0.25 -0.65 -0.01 0.00 -0.56 0.00 0.00 56.30 55.33 2hw0 h ASN 93 Cb 0.18 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 2hw0 h ASN 93 CO -0.02 1.26 0.23 0.50 -1.06 0.00 0.00 177.43 178.34 2hw0 h LYS 94 N 0.25 0.61 -0.19 0.81 3.64 -1.14 -2.35 116.57 118.19 2hw0 h LYS 94 Ca -0.05 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 2hw0 h LYS 94 Cb 1.26 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2hw0 h LYS 94 CO 0.13 0.50 -0.49 0.93 -2.27 0.00 0.00 179.45 178.25 2hw0 h GLU 95 N 0.57 0.51 0.18 1.90 4.39 -1.02 -2.62 114.58 118.50 2hw0 h GLU 95 Ca 0.15 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.57 2hw0 h GLU 95 Cb 0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2hw0 h GLU 95 CO -0.02 0.89 -0.24 -0.92 -1.16 0.00 0.00 179.01 177.56 2hw0 h TYR 96 N 0.41 -0.62 -0.38 4.33 3.20 -0.94 0.27 116.97 123.22 2hw0 h TYR 96 Ca 0.02 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2hw0 h TYR 96 Cb 1.00 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 2hw0 h TYR 96 CO 0.04 -0.34 0.06 0.00 -1.64 0.00 0.00 178.16 176.27 2hw0 n SER 98 N -4.30 0.43 0.26 0.00 2.88 -0.89 -3.25 113.62 108.76 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 0.22 -0.67 0.91 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.70 0.25 116.57 119.69 2hw0 h LYS 99 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2hw0 h LYS 99 Cb 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2hw0 h LYS 99 CO 0.00 0.00 -0.10 0.93 -2.27 0.00 0.00 179.45 178.01 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.72 -3.47 114.58 116.38 2hw0 h GLU 100 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hw0 h GLU 100 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2hw0 h GLU 100 CO -0.00 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2hw0 n GLY 101 N 0.30 1.45 2.84 -3.84 0.00 0.87 -4.91 105.19 101.89 2hw0 n GLY 101 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.97 1.41 -0.20 1.61 2.47 -1.26 -5.10 114.94 110.90 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 -0.49 -0.05 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 0.00 177.10 172.60 2hw0 s LEU 103 N 1.52 4.02 -0.08 3.21 1.43 -1.26 -1.00 118.68 126.51 2hw0 s LEU 103 Ca -0.01 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2hw0 s LEU 103 Cb -0.13 -2.04 -0.28 0.00 0.03 0.00 0.00 46.19 43.77 2hw0 s LEU 103 CO -0.03 0.16 0.56 0.25 0.23 0.00 0.00 176.35 177.51 2hw0 h LEU 104 N 6.81 0.49 -7.60 1.79 5.85 -1.49 -3.44 115.31 117.72 2hw0 h LEU 104 Ca -0.39 -0.91 -0.23 0.00 0.84 0.00 0.00 57.88 57.19 2hw0 h LEU 104 Cb 1.16 -0.16 -0.29 0.00 0.37 0.00 0.00 40.66 41.74 2hw0 h LEU 104 CO 0.72 1.75 -0.65 -0.32 -0.34 0.00 0.00 178.44 179.60 2hw0 s MET 105 N -2.54 0.06 -0.24 1.25 0.00 -1.05 -4.99 119.30 111.79 2hw0 s MET 105 Ca -0.19 0.16 -0.02 0.00 0.00 0.00 0.00 55.69 55.64 2hw0 s MET 105 Cb 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 34.83 34.91 2hw0 s MET 105 CO 0.80 -0.06 0.06 -2.00 0.00 0.00 0.00 175.02 173.82 2hw0 s GLU 106 N 0.41 0.70 0.33 4.11 2.12 -1.26 -1.11 118.70 124.01 2hw0 s GLU 106 Ca -0.03 -0.70 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2hw0 s GLU 106 Cb -0.05 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.33 2hw0 s GLU 106 CO -0.02 -0.79 0.56 0.00 -0.54 0.00 0.00 175.26 174.48 2hw0 n GLY 108 N -0.52 -2.17 3.71 0.00 0.00 -1.26 -2.40 105.19 102.56 2hw0 n GLY 108 Ca -0.02 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.24 3.33 -1.14 4.61 0.00 -0.05 -4.80 121.76 122.47 2hw0 s ALA 109 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 2hw0 s ALA 109 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 2hw0 s ALA 109 CO 0.00 0.29 1.93 -0.35 0.00 0.00 0.00 175.76 177.63 2hw0 n PRO 110 N -0.90 1.58 -4.31 0.00 -0.04 -1.26 -4.37 135.00 125.70 2hw0 n PRO 110 Ca -0.07 -2.40 -0.27 0.00 -0.04 0.00 0.00 63.50 60.72 2hw0 n PRO 110 Cb 0.58 -3.64 -0.10 0.00 -0.04 0.00 0.00 33.50 30.30 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 6.31 1.94 0.25 0.54 1.70 -1.26 -4.90 118.95 123.54 2hw0 s ARG 111 Ca 0.67 -1.29 0.02 0.00 -0.47 0.00 0.00 55.73 54.66 2hw0 s ARG 111 Cb 0.01 -2.11 -0.01 0.00 -0.57 0.00 0.00 34.95 32.28 2hw0 s ARG 111 CO 0.14 0.44 0.07 -1.13 -1.08 0.00 0.00 175.30 173.74 2hw0 n SER 112 N 0.18 1.37 0.09 -2.89 3.41 -1.26 -4.36 113.62 110.17 2hw0 n SER 112 Ca -0.12 -2.30 -0.14 0.00 -0.26 0.00 0.00 58.87 56.06 2hw0 n SER 112 Cb 0.55 0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 64.99 2hw0 n SER 112 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2hw0 h GLN 113 N 0.00 -0.60 0.00 4.33 -0.00 -1.94 -3.48 115.11 113.42 2hw0 h GLN 113 Ca -0.20 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 2hw0 h GLN 113 Cb 0.73 0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.35 2hw0 h GLN 113 CO 0.32 -0.40 0.00 0.41 0.00 0.00 0.00 178.83 179.16 2hw0 n GLY 114 N -1.46 0.36 2.12 2.39 0.00 -1.26 -5.11 105.19 102.23 2hw0 n GLY 114 Ca -0.07 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 2hw0 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw0 n GLN 115 N 0.00 0.80 0.00 1.61 10.64 -1.26 -5.12 117.38 124.05 2hw0 n GLN 115 Ca 0.00 -1.70 0.10 0.00 -1.83 0.00 0.00 57.00 53.56 2hw0 n GLN 115 Cb 0.00 -0.11 0.08 0.00 -0.86 0.00 0.00 30.24 29.35 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77