#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 n SER 3 N 0.00 4.49 -0.89 3.54 2.88 -1.26 -5.13 113.62 117.25 2hw0 n SER 3 Ca 0.00 -0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2hw0 n SER 3 Cb 0.00 0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 2hw0 n SER 3 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hw0 n LYS 4 N -2.14 -0.55 -4.43 -1.46 5.02 -1.26 -4.95 118.16 108.39 2hw0 n LYS 4 Ca -0.03 0.37 -0.22 0.00 -2.02 0.00 0.00 58.31 56.41 2hw0 n LYS 4 Cb 0.55 -0.68 -0.09 0.00 -0.02 0.00 0.00 35.03 34.79 2hw0 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hw0 s LYS 5 N -0.47 1.71 -0.09 1.97 3.01 -1.26 -5.16 119.74 119.45 2hw0 s LYS 5 Ca 0.00 -1.99 0.00 0.00 -1.01 0.00 0.00 55.97 52.98 2hw0 s LYS 5 Cb 0.00 -0.49 -0.03 0.00 -1.01 0.00 0.00 37.83 36.31 2hw0 s LYS 5 CO 0.00 -0.38 -0.09 1.21 0.51 0.00 0.00 175.35 176.60 2hw0 s ASN 6 N -3.48 4.39 -0.44 2.83 3.84 -1.26 -5.09 114.94 115.73 2hw0 s ASN 6 Ca 0.32 -0.15 -0.07 0.00 0.21 0.00 0.00 52.86 53.17 2hw0 s ASN 6 Cb 0.05 -1.30 0.11 0.00 -0.55 0.00 0.00 41.25 39.57 2hw0 s ASN 6 CO 0.15 0.28 0.29 -0.83 -2.79 0.00 0.00 177.10 174.20 2hw0 s GLY 7 N -0.34 2.01 0.35 1.21 0.00 -1.26 -5.07 107.32 104.22 2hw0 s GLY 7 Ca 0.04 -2.48 0.09 0.00 0.00 0.00 0.00 44.72 42.38 2hw0 s GLY 7 CO 0.02 1.06 -0.03 0.50 0.00 0.00 0.00 173.10 174.65 2hw0 s ARG 8 N 1.30 1.96 0.73 2.90 0.52 -1.26 -5.12 118.95 119.98 2hw0 s ARG 8 Ca 0.06 -1.85 -0.15 0.00 -0.52 0.00 0.00 55.73 53.27 2hw0 s ARG 8 Cb -0.25 -1.82 0.04 0.00 0.52 0.00 0.00 34.95 33.44 2hw0 s ARG 8 CO -0.01 0.13 1.22 -1.12 0.02 0.00 0.00 175.30 175.53 2hw0 s SER 9 N -3.67 4.19 0.00 0.23 0.01 -1.26 -4.95 113.70 108.25 2hw0 s SER 9 Ca 0.34 2.39 0.00 0.00 1.31 0.00 0.00 55.95 59.99 2hw0 s SER 9 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2hw0 s SER 9 CO 0.18 -2.27 0.00 0.61 0.41 0.00 0.00 173.24 172.17 2hw0 n GLY 10 N 0.47 -0.08 3.73 3.44 0.00 -1.26 -5.10 105.19 106.38 2hw0 n GLY 10 Ca 0.14 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.47 4.36 0.26 1.61 0.04 -1.26 -5.04 135.00 133.51 2hw0 s PRO 11 Ca 0.00 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2hw0 s PRO 11 Cb 0.00 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2hw0 s PRO 11 CO 0.00 -0.33 0.20 -0.65 0.04 0.00 0.00 177.00 176.26 2hw0 s GLN 12 N 0.44 2.88 0.47 4.56 -0.21 -1.26 -4.99 119.66 121.55 2hw0 s GLN 12 Ca 0.60 -1.10 -0.22 0.00 0.02 0.00 0.00 55.36 54.66 2hw0 s GLN 12 Cb -0.36 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.04 2hw0 s GLN 12 CO 0.34 0.37 1.16 -1.25 -2.12 0.00 0.00 175.29 173.79 2hw0 s PRO 13 N -3.85 3.70 0.35 2.91 0.04 -1.26 -4.87 135.00 132.01 2hw0 s PRO 13 Ca 0.34 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2hw0 s PRO 13 Cb -0.08 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2hw0 s PRO 13 CO 0.25 -0.60 0.21 -1.01 0.04 0.00 0.00 177.00 175.90 2hw0 s HIS 14 N -1.58 1.72 -0.73 0.56 3.76 -0.38 -4.68 115.29 113.96 2hw0 s HIS 14 Ca 0.65 -1.51 0.16 0.00 -0.15 0.00 0.00 55.06 54.21 2hw0 s HIS 14 Cb -0.28 -0.86 0.67 0.00 1.11 0.00 0.00 32.58 33.23 2hw0 s HIS 14 CO 0.33 -0.65 1.59 0.36 -0.85 0.00 0.00 174.74 175.52 2hw0 n LYS 15 N -0.69 3.79 -3.78 1.40 0.00 -1.26 -2.18 118.16 115.44 2hw0 n LYS 15 Ca 0.02 -2.88 -0.19 0.00 -0.00 0.00 0.00 58.31 55.27 2hw0 n LYS 15 Cb 0.64 -1.92 -0.17 0.00 -0.00 0.00 0.00 35.03 33.58 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 -2.17 0.21 -0.13 -1.58 3.00 -1.26 -0.06 118.95 116.97 2hw0 s ARG 16 Ca 0.48 0.20 -0.09 0.00 0.00 0.00 0.00 55.73 56.32 2hw0 s ARG 16 Cb 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 34.95 34.73 2hw0 s ARG 16 CO 0.19 -0.25 0.32 -1.58 0.00 0.00 0.00 175.30 173.98 2hw0 s TRP 17 N 1.67 -0.40 0.28 -0.53 0.52 -0.98 -4.08 118.94 115.42 2hw0 s TRP 17 Ca -0.01 0.93 0.08 0.00 0.02 0.00 0.00 56.10 57.12 2hw0 s TRP 17 Cb -0.13 0.13 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 2hw0 s TRP 17 CO -0.03 -0.22 0.15 0.14 0.02 0.00 0.00 176.95 177.01 2hw0 s VAL 18 N 0.68 3.91 0.02 4.03 -7.23 0.74 -1.98 120.40 120.57 2hw0 s VAL 18 Ca -0.04 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2hw0 s VAL 18 Cb -0.05 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.69 2hw0 s VAL 18 CO -0.04 -0.31 -0.07 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.24 0.58 -0.15 2.82 -0.71 -0.94 -1.42 117.98 115.92 2hw0 s PHE 19 Ca 0.34 -0.27 -0.08 0.00 -1.04 0.00 0.00 56.93 55.89 2hw0 s PHE 19 Cb -0.07 -0.36 0.06 0.00 -1.21 0.00 0.00 43.02 41.44 2hw0 s PHE 19 CO 0.24 -0.04 0.35 0.95 -1.34 0.00 0.00 175.22 175.38 2hw0 s THR 20 N -0.67 -0.09 -0.01 -4.49 -4.23 0.10 -2.54 115.64 103.70 2hw0 s THR 20 Ca -0.03 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2hw0 s THR 20 Cb -0.06 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.26 2hw0 s THR 20 CO 0.00 0.05 0.01 -0.22 -0.54 0.00 0.00 174.62 173.92 2hw0 s LEU 21 N 1.50 1.72 0.05 4.79 2.96 -0.80 -1.45 118.68 127.45 2hw0 s LEU 21 Ca -0.08 0.01 -0.24 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.09 -0.02 -0.06 0.00 0.50 0.00 0.00 46.19 46.52 2hw0 s LEU 21 CO -0.11 -0.04 0.73 0.54 -1.32 0.00 0.00 176.35 176.14 2hw0 s ASN 22 N 0.32 7.19 -0.93 3.68 2.20 -1.26 -0.39 114.94 125.76 2hw0 s ASN 22 Ca -0.03 1.41 -0.08 0.00 -0.94 0.00 0.00 52.86 53.22 2hw0 s ASN 22 Cb -0.04 -2.45 -0.01 0.00 -2.00 0.00 0.00 41.25 36.76 2hw0 s ASN 22 CO -0.01 0.07 0.72 -3.20 -2.94 0.00 0.00 177.10 171.74 2hw0 n ASN 23 N 2.56 -6.01 -4.77 3.54 4.05 0.91 -4.92 115.26 110.62 2hw0 n ASN 23 Ca -0.04 -0.70 -0.37 0.00 0.45 0.00 0.00 54.58 53.92 2hw0 n ASN 23 Cb 0.50 -3.56 -0.01 0.00 1.23 0.00 0.00 39.78 37.94 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 -4.72 3.68 0.35 1.20 0.04 -1.26 -5.02 135.00 129.28 2hw0 s PRO 24 Ca 0.20 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 2hw0 s PRO 24 Cb -0.07 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2hw0 s PRO 24 CO 0.83 -0.61 0.60 -1.12 0.04 0.00 0.00 177.00 176.75 2hw0 s SER 25 N -1.44 6.35 0.53 6.66 0.01 -1.26 -4.93 113.70 119.62 2hw0 s SER 25 Ca 0.65 0.65 0.23 0.00 1.31 0.00 0.00 55.95 58.79 2hw0 s SER 25 Cb -0.28 -2.12 1.36 0.00 0.21 0.00 0.00 66.02 65.20 2hw0 s SER 25 CO 0.33 -0.31 2.04 -0.33 0.41 0.00 0.00 173.24 175.38 2hw0 h GLU 26 N 1.01 0.00 0.18 12.44 5.08 -1.99 -0.96 114.58 130.34 2hw0 h GLU 26 Ca -0.48 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.56 2hw0 h GLU 26 Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 2hw0 h GLU 26 CO 0.63 0.00 -1.34 -0.44 -1.00 0.00 0.00 179.01 176.87 2hw0 h ASP 27 N 0.00 0.86 -0.07 1.42 5.19 -1.98 -2.43 116.42 119.41 2hw0 h ASP 27 Ca 0.17 -0.87 -0.00 0.00 -0.62 0.00 0.00 57.03 55.71 2hw0 h ASP 27 Cb 0.70 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 2hw0 h ASP 27 CO -0.00 1.65 0.04 -0.08 -3.12 0.00 0.00 179.24 177.73 2hw0 h GLU 28 N 0.19 0.10 -0.07 3.56 4.57 -1.62 0.38 114.58 121.69 2hw0 h GLU 28 Ca -0.22 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 2hw0 h GLU 28 Cb 2.02 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.58 2hw0 h GLU 28 CO 0.25 0.17 -0.38 0.00 -1.18 0.00 0.00 179.01 177.88 2hw0 h ARG 29 N 0.00 0.15 -0.30 1.92 3.08 -1.35 -2.55 114.38 115.34 2hw0 h ARG 29 Ca 0.02 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2hw0 h ARG 29 Cb 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2hw0 h ARG 29 CO -0.00 0.51 -0.33 0.87 -1.07 0.00 0.00 179.97 179.94 2hw0 h LYS 30 N 0.13 0.75 0.19 0.04 1.57 -1.13 -0.40 116.57 117.73 2hw0 h LYS 30 Ca 0.01 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2hw0 h LYS 30 Cb 0.73 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2hw0 h LYS 30 CO 0.05 1.03 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.66 2hw0 h LYS 31 N 0.51 -0.25 -0.72 3.15 3.64 -0.78 0.28 116.57 122.40 2hw0 h LYS 31 Ca 0.04 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2hw0 h LYS 31 Cb 0.91 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2hw0 h LYS 31 CO 0.08 -0.06 0.24 0.82 -2.27 0.00 0.00 179.45 178.26 2hw0 h ILE 32 N -0.40 1.26 0.00 2.00 2.04 -1.51 -2.00 117.51 118.90 2hw0 h ILE 32 Ca -0.03 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 2hw0 h ILE 32 Cb 0.31 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2hw0 h ILE 32 CO 0.04 0.34 -0.10 -0.09 0.00 0.00 0.00 178.15 178.35 2hw0 h ARG 33 N 1.05 0.00 -0.51 2.37 2.43 -0.96 -2.52 114.38 116.25 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 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2hw0 h ARG 33 CO -0.01 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.30 2hw0 n ASP 34 N -3.21 3.08 -4.73 -3.80 9.92 0.98 -4.97 116.55 113.83 2hw0 n ASP 34 Ca 0.01 -1.97 -0.31 0.00 -0.53 0.00 0.00 54.79 51.99 2hw0 n ASP 34 Cb 0.39 -0.33 0.12 0.00 -0.64 0.00 0.00 41.12 40.66 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2hw0 s LEU 35 N -1.17 2.87 -0.14 0.64 1.43 -0.81 -4.93 118.68 116.56 2hw0 s LEU 35 Ca 0.39 1.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 2hw0 s LEU 35 Cb 0.21 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.28 -2.47 1.56 -2.16 0.23 0.00 0.00 176.35 173.78 2hw0 s PRO 36 N -4.82 4.04 0.27 1.29 0.04 -1.26 -4.90 135.00 129.66 2hw0 s PRO 36 Ca 0.63 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.57 2hw0 s PRO 36 Cb -0.19 -3.96 0.37 0.00 0.04 0.00 0.00 34.50 30.76 2hw0 s PRO 36 CO 0.57 -0.99 1.68 -0.84 0.04 0.00 0.00 177.00 177.45 2hw0 h ILE 37 N 5.78 1.29 0.00 0.56 3.07 -1.92 -2.61 117.51 123.68 2hw0 h ILE 37 Ca -0.34 -1.44 -0.02 0.00 1.55 0.00 0.00 64.86 64.61 2hw0 h ILE 37 Cb 1.15 1.52 -0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2hw0 h ILE 37 CO 0.98 0.45 -0.07 -1.28 -1.05 0.00 0.00 178.15 177.17 2hw0 h SER 38 N 0.36 0.00 0.71 2.16 0.87 -1.98 -2.04 113.55 113.62 2hw0 h SER 38 Ca 0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2hw0 h SER 38 Cb 0.79 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2hw0 h SER 38 CO 0.06 0.07 -0.57 0.25 -0.53 0.00 0.00 176.83 176.12 2hw0 h LEU 39 N 0.00 0.00 -7.78 2.23 6.46 -1.86 -3.42 115.31 110.94 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 0.34 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.90 2hw0 h LEU 39 CO 0.01 0.57 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.23 2hw0 s PHE 40 N -3.56 2.35 0.54 1.25 0.40 -0.77 -2.49 117.98 115.70 2hw0 s PHE 40 Ca -0.01 -1.54 0.30 0.00 -0.60 0.00 0.00 56.93 55.09 2hw0 s PHE 40 Cb 0.12 -1.61 1.47 0.00 0.51 0.00 0.00 43.02 43.51 2hw0 s PHE 40 CO 0.75 -0.73 1.91 0.22 0.70 0.00 0.00 175.22 178.06 2hw0 h ASP 41 N 7.99 0.00 -3.38 1.36 1.82 -1.63 -3.38 116.42 119.20 2hw0 h ASP 41 Ca -0.28 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 55.98 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.75 2hw0 h ASP 41 CO 0.47 0.00 -0.76 -0.47 -1.61 0.00 0.00 179.24 176.88 2hw0 s TYR 42 N -4.97 0.44 -0.14 0.28 5.04 -1.24 -0.12 117.35 116.65 2hw0 s TYR 42 Ca -0.05 -0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.53 2hw0 s TYR 42 Cb 0.21 -0.58 0.04 0.00 0.35 0.00 0.00 41.96 41.98 2hw0 s TYR 42 CO 0.76 -0.21 0.00 0.12 -1.34 0.00 0.00 175.55 174.87 2hw0 s PHE 43 N 1.53 1.03 -0.09 4.97 2.19 -1.00 0.00 117.98 126.62 2hw0 s PHE 43 Ca -0.02 -0.63 -0.02 0.00 0.33 0.00 0.00 56.93 56.59 2hw0 s PHE 43 Cb -0.13 -1.00 0.04 0.00 -1.31 0.00 0.00 43.02 40.61 2hw0 s PHE 43 CO -0.03 -0.50 0.04 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.85 0.17 0.14 3.12 2.07 -0.42 -1.37 121.20 126.77 2hw0 s ILE 44 Ca 0.02 0.12 0.09 0.00 -1.41 0.00 0.00 60.65 59.48 2hw0 s ILE 44 Cb -0.15 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 2hw0 s ILE 44 CO -0.07 0.12 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.05 1.98 -0.16 4.00 1.01 -0.61 0.04 120.40 128.71 2hw0 s VAL 45 Ca 0.04 -1.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.14 2hw0 s VAL 45 Cb -0.13 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.46 2hw0 s VAL 45 CO -0.05 -0.11 0.39 -0.83 0.00 0.00 0.00 175.10 174.49 2hw0 s GLY 46 N -2.30 -0.30 -0.08 4.51 0.00 -0.87 -1.74 107.32 106.55 2hw0 s GLY 46 Ca 0.13 1.41 -0.16 0.00 0.00 0.00 0.00 44.72 46.10 2hw0 s GLY 46 CO 0.06 1.54 0.43 1.85 0.00 0.00 0.00 173.10 176.98 2hw0 s GLU 47 N 1.24 4.17 -0.10 2.90 2.56 -1.16 -2.27 118.70 126.04 2hw0 s GLU 47 Ca -0.08 0.39 -0.01 0.00 0.00 0.00 0.00 54.97 55.27 2hw0 s GLU 47 Cb -0.08 -3.35 -0.03 0.00 2.00 0.00 0.00 34.13 32.67 2hw0 s GLU 47 CO -0.11 0.38 -0.06 -2.00 -0.56 0.00 0.00 175.26 172.91 2hw0 s GLU 48 N -0.07 3.11 0.00 4.30 2.12 0.21 -4.38 118.70 123.99 2hw0 s GLU 48 Ca 0.24 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.02 2hw0 s GLU 48 Cb -0.15 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2hw0 s GLU 48 CO 0.11 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 2hw0 n GLY 49 N 2.77 -1.86 0.98 -1.50 0.00 -1.26 -0.13 105.19 104.19 2hw0 n GLY 49 Ca -0.18 0.83 -0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 2.30 -3.68 1.61 4.05 -1.26 -4.95 115.26 113.33 2hw0 n ASN 50 Ca 0.00 -3.72 -0.29 0.00 0.45 0.00 0.00 54.58 51.03 2hw0 n ASN 50 Cb 0.00 -0.48 -0.16 0.00 1.23 0.00 0.00 39.78 40.38 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 -3.11 0.52 0.45 1.20 2.12 -1.26 -5.12 118.70 113.49 2hw0 s GLU 51 Ca 0.40 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.87 2hw0 s GLU 51 Cb 0.38 -1.83 -0.10 0.00 0.26 0.00 0.00 34.13 32.84 2hw0 s GLU 51 CO -0.05 -0.84 1.03 -1.91 -0.54 0.00 0.00 175.26 172.94 2hw0 n GLU 52 N 5.05 1.34 0.00 4.30 2.13 -1.26 -1.94 120.64 130.26 2hw0 n GLU 52 Ca -0.06 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2hw0 n GLU 52 Cb 0.44 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 1.16 3.03 3.74 8.31 0.00 -1.26 -5.02 105.19 115.16 2hw0 n GLY 53 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.59 2.47 0.30 1.61 3.52 -0.82 -5.14 118.95 120.32 2hw0 s ARG 54 Ca 0.00 -1.42 0.01 0.00 -0.13 0.00 0.00 55.73 54.19 2hw0 s ARG 54 Cb 0.00 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 2hw0 s ARG 54 CO 0.00 0.20 0.49 0.95 -0.81 0.00 0.00 175.30 176.12 2hw0 s THR 55 N -2.35 5.15 0.78 4.11 -4.23 -1.26 -4.89 115.64 112.95 2hw0 s THR 55 Ca 0.36 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 2hw0 s THR 55 Cb -0.04 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.01 2hw0 s THR 55 CO 0.23 -0.45 1.09 -2.16 -0.54 0.00 0.00 174.62 172.79 2hw0 s PRO 56 N -4.09 2.20 -0.00 3.99 0.04 -1.26 -4.78 135.00 131.09 2hw0 s PRO 56 Ca 0.39 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 2hw0 s PRO 56 Cb -0.10 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 2hw0 s PRO 56 CO 0.33 -1.68 0.00 -1.58 0.04 0.00 0.00 177.00 174.12 2hw0 s HIS 57 N -2.90 0.01 -0.11 0.56 2.46 0.81 -0.06 115.29 116.06 2hw0 s HIS 57 Ca 0.61 -0.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.97 2hw0 s HIS 57 Cb -0.17 -0.01 -0.05 0.00 -0.13 0.00 0.00 32.58 32.23 2hw0 s HIS 57 CO 0.56 -0.01 0.39 -1.17 -2.47 0.00 0.00 174.74 172.04 2hw0 s LEU 58 N -0.05 4.31 -0.23 8.88 0.20 0.48 -0.62 118.68 131.65 2hw0 s LEU 58 Ca -0.01 0.73 -0.04 0.00 0.69 0.00 0.00 54.13 55.50 2hw0 s LEU 58 Cb -0.00 -2.54 0.12 0.00 -0.43 0.00 0.00 46.19 43.33 2hw0 s LEU 58 CO -0.00 0.11 0.39 -1.58 -0.29 0.00 0.00 176.35 174.98 2hw0 s GLN 59 N 0.20 0.34 0.30 1.98 2.00 -0.96 -1.91 119.66 121.61 2hw0 s GLN 59 Ca 0.22 0.71 -0.12 0.00 -2.00 0.00 0.00 55.36 54.17 2hw0 s GLN 59 Cb -0.15 -0.18 0.01 0.00 0.80 0.00 0.00 33.01 33.50 2hw0 s GLN 59 CO 0.08 -0.51 0.58 0.20 -0.50 0.00 0.00 175.29 175.14 2hw0 s GLY 60 N 2.57 0.63 -0.01 2.59 0.00 -1.05 -2.05 107.32 110.01 2hw0 s GLY 60 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2hw0 s GLY 60 CO -0.15 -0.57 -0.11 -0.12 0.00 0.00 0.00 173.10 172.15 2hw0 s PHE 61 N -3.43 0.99 -0.06 1.90 5.36 0.11 -2.22 117.98 120.63 2hw0 s PHE 61 Ca 0.21 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2hw0 s PHE 61 Cb -0.02 -0.64 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 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 -0.30 0.69 -0.37 11.12 0.00 -0.84 -1.30 121.76 130.76 2hw0 s ALA 62 Ca 0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 2hw0 s ALA 62 Cb -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.19 0.54 1.21 0.00 0.00 0.00 175.76 177.31 2hw0 s ASN 63 N 1.32 6.32 0.09 0.00 3.84 0.10 -2.32 114.94 124.30 2hw0 s ASN 63 Ca -0.05 -0.09 -0.31 0.00 0.21 0.00 0.00 52.86 52.62 2hw0 s ASN 63 Cb -0.13 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.22 2hw0 s ASN 63 CO -0.02 -0.53 1.36 -0.36 -2.79 0.00 0.00 177.10 174.75 2hw0 s PHE 64 N 2.46 3.23 0.56 0.43 0.08 0.92 -2.26 117.98 123.40 2hw0 s PHE 64 Ca 0.19 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.53 2hw0 s PHE 64 Cb -0.15 -3.64 1.77 0.00 -0.57 0.00 0.00 43.02 40.43 2hw0 s PHE 64 CO 0.14 -2.21 2.23 0.28 -0.10 0.00 0.00 175.22 175.56 2hw0 h VAL 65 N 4.37 0.53 -4.02 -0.44 2.07 -1.76 -3.42 116.25 113.56 2hw0 h VAL 65 Ca -0.42 -0.10 -0.25 0.00 0.82 0.00 0.00 66.70 66.75 2hw0 h VAL 65 Cb 1.21 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 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 1.03 -3.07 1.57 0.00 -1.26 -4.99 118.16 107.63 2hw0 n LYS 66 Ca -0.03 -1.51 -0.40 0.00 -0.00 0.00 0.00 58.31 56.37 2hw0 n LYS 66 Cb 0.11 0.67 -0.05 0.00 -0.00 0.00 0.00 35.03 35.75 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hw0 s LYS 67 N -2.71 4.25 0.06 -1.58 2.47 -1.26 -4.21 119.74 116.76 2hw0 s LYS 67 Ca 0.06 0.71 0.03 0.00 -1.56 0.00 0.00 55.97 55.20 2hw0 s LYS 67 Cb 0.00 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.78 2hw0 s LYS 67 CO 0.04 -0.22 -0.08 -0.65 0.16 0.00 0.00 175.35 174.60 2hw0 s GLN 68 N 1.82 0.64 0.57 4.03 -1.52 -0.93 -4.88 119.66 119.39 2hw0 s GLN 68 Ca 0.31 -0.91 -0.00 0.00 -1.95 0.00 0.00 55.36 52.81 2hw0 s GLN 68 Cb -0.16 -0.36 0.03 0.00 -0.22 0.00 0.00 33.01 32.31 2hw0 s GLN 68 CO 0.11 0.06 0.81 0.95 -0.25 0.00 0.00 175.29 176.96 2hw0 s THR 69 N -1.82 2.76 0.06 -0.19 -4.23 -1.26 -1.24 115.64 109.72 2hw0 s THR 69 Ca -0.04 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 59.60 2hw0 s THR 69 Cb -0.07 -3.06 -0.18 0.00 1.34 0.00 0.00 72.50 70.53 2hw0 s THR 69 CO -0.00 -0.04 1.56 0.15 -0.54 0.00 0.00 174.62 175.74 2hw0 h PHE 70 N -0.01 -0.65 -0.91 3.99 3.57 -1.94 0.30 116.94 121.30 2hw0 h PHE 70 Ca -0.43 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2hw0 h PHE 70 Cb 1.29 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 2hw0 h PHE 70 CO 0.38 -0.37 0.50 -0.97 -2.23 0.00 0.00 178.31 175.61 2hw0 h ASN 71 N -0.77 1.13 -0.03 0.41 -0.73 -2.00 -2.69 115.58 110.90 2hw0 h ASN 71 Ca -0.07 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.00 2hw0 h ASN 71 Cb 0.57 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 2hw0 h ASN 71 CO 0.12 0.90 0.01 0.50 -0.37 0.00 0.00 177.43 178.59 2hw0 h LYS 72 N 1.27 0.04 -0.35 6.67 1.63 -1.92 -2.63 116.57 121.27 2hw0 h LYS 72 Ca 0.32 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.21 2hw0 h LYS 72 Cb 0.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2hw0 h LYS 72 CO -0.05 0.28 0.37 0.28 -3.45 0.00 0.00 179.45 176.88 2hw0 h VAL 73 N -0.20 0.41 0.00 2.00 2.07 -0.21 0.30 116.25 120.63 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 0.25 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 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 -3.76 0.08 0.28 1.57 5.02 -0.99 -1.58 118.16 118.78 2hw0 n LYS 74 Ca 0.06 0.48 0.17 0.00 -2.02 0.00 0.00 58.31 57.01 2hw0 n LYS 74 Cb 0.54 -1.72 0.72 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.52 -0.07 115.95 122.57 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 0.12 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.26 2hw0 h TRP 75 CO 0.00 0.01 -1.46 0.66 -1.28 0.00 0.00 178.44 176.37 2hw0 n TYR 76 N -3.11 0.00 0.55 0.12 4.01 -0.61 -4.61 117.16 113.51 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2hw0 n TYR 76 Cb 0.29 -0.32 0.41 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 0.24 -0.91 7.72 4.77 -0.90 -4.96 117.00 119.52 2hw0 n LEU 77 Ca -0.18 0.55 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 2hw0 n LEU 77 Cb 0.61 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.29 -0.33 0.61 -1.33 0.00 0.00 177.39 176.06 2hw0 n GLY 78 N 0.31 -3.39 0.14 -0.72 0.00 -0.04 -4.17 105.19 97.32 2hw0 n GLY 78 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.27 0.82 -0.80 4.61 0.00 -1.95 -3.22 119.26 118.44 2hw0 h ALA 79 Ca -0.05 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.45 2hw0 h ALA 79 Cb 0.68 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2hw0 h ALA 79 CO 0.02 0.73 0.41 0.00 0.00 0.00 0.00 179.25 180.41 2hw0 h ARG 80 N 0.00 0.62 -5.76 0.00 3.08 -1.95 -3.39 114.38 106.98 2hw0 h ARG 80 Ca -0.01 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 2hw0 h ARG 80 Cb 1.20 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 2hw0 h ARG 80 CO 0.08 0.41 -0.14 0.00 -1.07 0.00 0.00 179.97 179.25 2hw0 s HIS 82 N 0.53 3.14 0.09 0.00 2.46 -0.53 -4.81 115.29 116.18 2hw0 s HIS 82 Ca 0.26 1.09 0.07 0.00 0.47 0.00 0.00 55.06 56.95 2hw0 s HIS 82 Cb -0.15 -3.51 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2hw0 s HIS 82 CO 0.11 -1.73 -0.10 0.96 -2.47 0.00 0.00 174.74 171.51 2hw0 s ILE 83 N 1.93 3.38 0.16 0.89 -4.36 -1.26 0.00 121.20 121.94 2hw0 s ILE 83 Ca 0.60 -1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 2hw0 s ILE 83 Cb -0.29 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 2hw0 s ILE 83 CO 0.26 0.15 0.32 -0.70 0.24 0.00 0.00 174.94 175.21 2hw0 s GLU 84 N -2.09 1.16 0.09 0.37 -6.30 -0.51 -4.97 118.70 106.44 2hw0 s GLU 84 Ca 0.21 -1.08 -0.30 0.00 -2.50 0.00 0.00 54.97 51.29 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.00 0.00 0.00 34.13 34.37 2hw0 s GLU 84 CO 0.13 -0.43 1.04 0.21 0.02 0.00 0.00 175.26 176.22 2hw0 s LYS 85 N -3.94 4.59 0.37 4.30 2.20 -1.26 -0.19 119.74 125.82 2hw0 s LYS 85 Ca 0.14 1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 57.27 2hw0 s LYS 85 Cb 0.03 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2hw0 s LYS 85 CO -0.02 0.03 0.64 0.00 -0.36 0.00 0.00 175.35 175.64 2hw0 s ALA 86 N 0.41 3.56 -0.07 3.13 0.00 -1.26 -4.85 121.76 122.68 2hw0 s ALA 86 Ca 0.51 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 2hw0 s ALA 86 Cb -0.25 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.54 2hw0 s ALA 86 CO 0.30 -0.04 0.26 -1.59 0.00 0.00 0.00 175.76 174.69 2hw0 s LYS 87 N -4.19 0.40 0.00 0.00 -2.85 -1.26 -4.95 119.74 106.88 2hw0 s LYS 87 Ca 0.44 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 2hw0 s LYS 87 Cb -0.10 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2hw0 s LYS 87 CO 0.37 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.15 2hw0 n GLY 88 N 2.47 0.76 3.96 0.59 0.00 -1.26 -4.79 105.19 106.92 2hw0 n GLY 88 Ca -0.15 -2.28 -0.25 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.83 2.20 0.28 2.61 -4.23 -1.26 -4.52 115.64 109.89 2hw0 s THR 89 Ca 0.00 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2hw0 s THR 89 Cb 0.00 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.28 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 -0.74 0.90 -0.03 3.99 2.03 -1.88 -0.53 116.42 120.16 2hw0 h ASP 90 Ca -0.41 0.05 -0.14 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 0.47 0.48 -0.44 1.56 -1.03 0.00 0.00 179.24 180.28 2hw0 h GLN 91 N 0.97 0.56 -0.69 4.15 1.08 -1.93 0.27 115.11 119.52 2hw0 h GLN 91 Ca 0.49 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 57.34 2hw0 h GLN 91 Cb 0.48 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2hw0 h GLN 91 CO -0.27 0.89 0.24 1.96 -0.95 0.00 0.00 178.83 180.71 2hw0 h GLN 92 N 0.46 1.05 0.05 1.46 7.50 -1.49 0.25 115.11 124.38 2hw0 h GLN 92 Ca 0.03 -0.21 -0.14 0.00 0.50 0.00 0.00 58.65 58.83 2hw0 h GLN 92 Cb 0.95 -0.16 0.01 0.00 0.05 0.00 0.00 27.48 28.33 2hw0 h GLN 92 CO 0.08 0.89 -0.57 -0.91 -1.50 0.00 0.00 178.83 176.83 2hw0 h ASN 93 N 1.00 0.42 -0.50 1.46 -0.26 -1.19 -1.51 115.58 114.99 2hw0 h ASN 93 Ca 0.23 -0.85 -0.01 0.00 -0.56 0.00 0.00 56.30 55.10 2hw0 h ASN 93 Cb 0.26 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 2hw0 h ASN 93 CO -0.01 1.22 0.26 0.50 -1.06 0.00 0.00 177.43 178.34 2hw0 h LYS 94 N -0.33 0.70 -0.24 0.81 3.11 -0.90 -2.16 116.57 117.55 2hw0 h LYS 94 Ca -0.09 -0.09 -0.17 0.00 -2.81 0.00 0.00 60.65 57.49 2hw0 h LYS 94 Cb 1.35 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2hw0 h LYS 94 CO 0.11 0.57 -0.54 0.93 -2.81 0.00 0.00 179.45 177.71 2hw0 h GLU 95 N 0.66 0.72 -0.49 1.90 4.39 -0.61 -2.61 114.58 118.54 2hw0 h GLU 95 Ca 0.17 -0.45 0.05 0.00 0.34 0.00 0.00 59.36 59.47 2hw0 h GLU 95 Cb 0.08 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2hw0 h GLU 95 CO -0.03 1.07 0.22 -0.92 -1.16 0.00 0.00 179.01 178.20 2hw0 h TYR 96 N 0.56 0.40 -0.39 4.33 5.03 -1.03 0.27 116.97 126.13 2hw0 h TYR 96 Ca 0.01 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 2hw0 h TYR 96 Cb 1.11 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2hw0 h TYR 96 CO 0.06 0.17 -0.24 0.00 -1.32 0.00 0.00 178.16 176.83 2hw0 n SER 98 N -4.10 0.39 0.31 0.00 2.88 -0.81 -3.18 113.62 109.11 2hw0 n SER 98 Ca -0.00 0.56 0.19 0.00 -1.33 0.00 0.00 58.87 58.29 2hw0 n SER 98 Cb 0.45 -0.66 1.01 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.02 0.22 116.57 118.96 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 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.73 -3.46 114.58 116.37 2hw0 h GLU 100 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hw0 h GLU 100 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2hw0 h GLU 100 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2hw0 n GLY 101 N 0.30 1.46 2.85 -3.84 0.00 0.79 -4.87 105.19 101.87 2hw0 n GLY 101 Ca 0.02 0.00 -0.23 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 -3.23 1.46 -0.11 1.61 2.47 -1.26 -5.13 114.94 110.74 2hw0 s ASN 102 Ca 0.00 -0.15 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 2hw0 s ASN 102 Cb 0.00 -0.53 -0.05 0.00 -1.45 0.00 0.00 41.25 39.23 2hw0 s ASN 102 CO 0.00 -0.12 0.23 -0.76 -3.72 0.00 0.00 177.10 172.73 2hw0 s LEU 103 N 1.49 4.35 -0.18 3.21 2.01 -1.26 -2.99 118.68 125.32 2hw0 s LEU 103 Ca -0.02 0.55 0.01 0.00 0.01 0.00 0.00 54.13 54.68 2hw0 s LEU 103 Cb -0.13 -2.25 -0.11 0.00 0.01 0.00 0.00 46.19 43.71 2hw0 s LEU 103 CO -0.03 0.29 -0.16 -0.11 1.01 0.00 0.00 176.35 177.34 2hw0 n LEU 104 N 2.52 2.86 -3.76 1.79 7.94 -0.71 -4.71 117.00 122.93 2hw0 n LEU 104 Ca -0.16 -0.07 -0.13 0.00 -1.11 0.00 0.00 56.01 54.54 2hw0 n LEU 104 Cb 0.53 -0.61 -0.12 0.00 0.53 0.00 0.00 43.42 43.76 2hw0 n LEU 104 CO 0.35 0.76 -0.09 -0.32 -1.11 0.00 0.00 177.39 176.99 2hw0 s MET 105 N -2.35 0.28 -0.25 1.96 0.00 -0.84 -4.97 119.30 113.14 2hw0 s MET 105 Ca -0.24 0.43 -0.02 0.00 0.00 0.00 0.00 55.69 55.87 2hw0 s MET 105 Cb 0.06 0.06 0.08 0.00 0.00 0.00 0.00 34.83 35.03 2hw0 s MET 105 CO 0.40 -0.08 0.05 -2.00 0.00 0.00 0.00 175.02 173.39 2hw0 s GLU 106 N 0.53 0.77 0.33 4.11 2.12 -1.26 -1.58 118.70 123.71 2hw0 s GLU 106 Ca -0.03 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 2hw0 s GLU 106 Cb -0.05 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.27 2hw0 s GLU 106 CO -0.03 -0.78 0.54 0.00 -0.54 0.00 0.00 175.26 174.45 2hw0 n GLY 108 N -0.52 -2.04 3.73 0.00 0.00 -1.26 -2.36 105.19 102.73 2hw0 n GLY 108 Ca -0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.48 3.37 -1.12 4.61 0.00 0.83 -4.76 121.76 123.20 2hw0 s ALA 109 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 2hw0 s ALA 109 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 2hw0 s ALA 109 CO 0.00 0.25 1.94 -1.25 0.00 0.00 0.00 175.76 176.70 2hw0 s PRO 110 N -3.76 2.50 -0.11 0.00 0.04 -1.26 -4.30 135.00 128.12 2hw0 s PRO 110 Ca 0.32 -0.97 -0.29 0.00 0.04 0.00 0.00 61.00 60.10 2hw0 s PRO 110 Cb -0.07 -5.20 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 2hw0 s PRO 110 CO 0.22 -3.86 1.47 1.03 0.04 0.00 0.00 177.00 175.90 2hw0 s ARG 111 N 6.59 4.20 0.06 4.56 1.81 -1.26 -4.86 118.95 130.05 2hw0 s ARG 111 Ca 0.69 1.93 0.06 0.00 -1.72 0.00 0.00 55.73 56.69 2hw0 s ARG 111 Cb -0.02 -3.88 -0.04 0.00 -0.45 0.00 0.00 34.95 30.56 2hw0 s ARG 111 CO 0.10 -0.79 -0.11 0.45 -0.68 0.00 0.00 175.30 174.27 2hw0 s SER 112 N 2.72 4.30 -1.17 0.23 0.15 -1.26 -3.34 113.70 115.33 2hw0 s SER 112 Ca 0.65 -0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.82 2hw0 s SER 112 Cb -0.28 -0.84 0.18 0.00 -1.71 0.00 0.00 66.02 63.37 2hw0 s SER 112 CO 0.22 0.23 1.37 -1.58 1.20 0.00 0.00 173.24 174.69 2hw0 s GLN 113 N -1.80 4.05 0.00 5.44 -0.44 -1.26 -4.89 119.66 120.76 2hw0 s GLN 113 Ca 0.18 -2.55 0.00 0.00 -2.50 0.00 0.00 55.36 50.49 2hw0 s GLN 113 Cb -0.11 -5.01 0.00 0.00 -1.64 0.00 0.00 33.01 26.26 2hw0 s GLN 113 CO 0.10 -1.72 0.00 0.41 0.50 0.00 0.00 175.29 174.58 2hw0 n GLY 114 N 4.13 -1.57 3.79 2.59 0.00 -1.26 -4.96 105.19 107.90 2hw0 n GLY 114 Ca 0.34 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2hw0 n GLY 114 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hw0 s GLN 115 N -1.51 2.01 0.00 1.61 -2.07 -1.26 -5.21 119.66 113.23 2hw0 s GLN 115 Ca 0.00 -1.29 0.24 0.00 -1.82 0.00 0.00 55.36 52.49 2hw0 s GLN 115 Cb 0.00 0.60 0.29 0.00 -1.09 0.00 0.00 33.01 32.81 2hw0 s GLN 115 CO 0.00 -0.92 1.32 -2.13 -1.32 0.00 0.00 175.29 172.23