#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 -0.30 -0.20 3.54 0.01 -1.26 -5.15 113.70 110.35 2hw0 s SER 3 Ca 0.00 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.68 2hw0 s SER 3 Cb 0.00 0.52 0.04 0.00 0.21 0.00 0.00 66.02 66.79 2hw0 s SER 3 CO 0.00 -0.31 -0.11 -0.54 0.41 0.00 0.00 173.24 172.69 2hw0 s LYS 4 N -0.64 2.08 0.05 12.44 3.01 -1.26 -5.11 119.74 130.31 2hw0 s LYS 4 Ca -0.07 -0.83 -0.08 0.00 -1.01 0.00 0.00 55.97 53.98 2hw0 s LYS 4 Cb -0.04 -2.40 -0.00 0.00 -1.01 0.00 0.00 37.83 34.38 2hw0 s LYS 4 CO 0.03 -0.41 0.15 0.15 0.51 0.00 0.00 175.35 175.78 2hw0 s LYS 5 N 1.39 0.69 0.37 1.68 1.02 -1.26 -5.18 119.74 118.45 2hw0 s LYS 5 Ca -0.01 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 2hw0 s LYS 5 Cb -0.16 0.28 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 2hw0 s LYS 5 CO -0.08 -0.19 0.69 -0.80 -0.92 0.00 0.00 175.35 174.04 2hw0 s ASN 6 N -2.30 0.25 -0.07 2.83 0.01 -1.26 -5.10 114.94 109.30 2hw0 s ASN 6 Ca -0.02 -1.21 -0.00 0.00 -0.71 0.00 0.00 52.86 50.91 2hw0 s ASN 6 Cb 0.01 0.79 -0.00 0.00 0.41 0.00 0.00 41.25 42.45 2hw0 s ASN 6 CO -0.06 -1.55 -0.00 1.23 -1.51 0.00 0.00 177.10 175.20 2hw0 h GLY 7 N 2.04 0.00 -4.92 0.66 0.00 -2.09 -3.47 103.07 95.29 2hw0 h GLY 7 Ca -0.30 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.35 2hw0 h GLY 7 CO 0.39 0.00 -0.67 1.09 0.00 0.00 0.00 176.54 177.35 2hw0 s ARG 8 N -1.40 2.71 -0.20 4.80 1.70 -1.26 -5.04 118.95 120.26 2hw0 s ARG 8 Ca -0.00 -0.62 -0.22 0.00 -0.47 0.00 0.00 55.73 54.41 2hw0 s ARG 8 Cb 0.00 -2.60 -0.19 0.00 -0.57 0.00 0.00 34.95 31.59 2hw0 s ARG 8 CO 0.01 0.63 0.24 0.77 -1.08 0.00 0.00 175.30 175.87 2hw0 h SER 9 N 4.65 0.00 -3.29 -2.89 0.02 -2.04 -3.51 113.55 106.49 2hw0 h SER 9 Ca -0.49 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 2hw0 h SER 9 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2hw0 h SER 9 CO 0.55 1.44 0.00 0.61 -1.14 0.00 0.00 176.83 178.29 2hw0 n GLY 10 N 1.45 0.64 3.69 -3.77 0.00 -1.26 -5.06 105.19 100.88 2hw0 n GLY 10 Ca -0.30 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.98 4.27 0.47 1.61 0.04 -1.26 -5.02 135.00 134.12 2hw0 s PRO 11 Ca 0.00 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 11 Cb 0.00 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 2hw0 s PRO 11 CO 0.00 -0.61 0.75 -0.65 0.04 0.00 0.00 177.00 176.53 2hw0 s GLN 12 N 2.48 3.46 0.41 4.56 -0.21 -1.26 -4.94 119.66 124.16 2hw0 s GLN 12 Ca 0.66 0.07 -0.25 0.00 0.02 0.00 0.00 55.36 55.86 2hw0 s GLN 12 Cb -0.33 -2.42 -0.08 0.00 1.00 0.00 0.00 33.01 31.18 2hw0 s GLN 12 CO 0.27 -0.19 1.18 -1.25 -2.12 0.00 0.00 175.29 173.18 2hw0 s PRO 13 N -4.69 3.99 0.43 2.91 0.04 -1.26 -4.93 135.00 131.49 2hw0 s PRO 13 Ca 0.47 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.41 2hw0 s PRO 13 Cb -0.10 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 2hw0 s PRO 13 CO 0.43 -0.38 0.12 -1.01 0.04 0.00 0.00 177.00 176.20 2hw0 s HIS 14 N -1.42 1.79 -0.46 0.56 3.76 -0.69 -4.66 115.29 114.18 2hw0 s HIS 14 Ca 0.58 -1.26 0.16 0.00 -0.15 0.00 0.00 55.06 54.39 2hw0 s HIS 14 Cb -0.31 -1.21 0.69 0.00 1.11 0.00 0.00 32.58 32.86 2hw0 s HIS 14 CO 0.39 -0.25 1.61 0.36 -0.85 0.00 0.00 174.74 176.00 2hw0 n LYS 15 N -0.97 3.99 -3.74 1.40 0.00 -1.26 -2.40 118.16 115.18 2hw0 n LYS 15 Ca -0.08 -2.96 -0.16 0.00 -0.00 0.00 0.00 58.31 55.11 2hw0 n LYS 15 Cb 0.65 -2.02 -0.17 0.00 -0.00 0.00 0.00 35.03 33.50 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 -2.49 -0.05 -0.15 -1.58 0.52 -1.26 0.04 118.95 113.98 2hw0 s ARG 16 Ca 0.49 0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 55.83 2hw0 s ARG 16 Cb 0.36 -0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.56 2hw0 s ARG 16 CO 0.16 -0.22 0.40 -1.58 0.02 0.00 0.00 175.30 174.08 2hw0 s TRP 17 N 1.40 -0.49 0.28 -0.53 0.52 -0.97 -4.15 118.94 115.00 2hw0 s TRP 17 Ca -0.05 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.29 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.34 2hw0 s TRP 17 CO -0.03 -0.26 0.14 0.14 0.02 0.00 0.00 176.95 176.96 2hw0 s VAL 18 N 0.70 3.81 0.02 4.03 -7.23 0.73 -1.96 120.40 120.50 2hw0 s VAL 18 Ca -0.04 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2hw0 s VAL 18 Cb -0.05 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 2hw0 s VAL 18 CO -0.05 -0.31 -0.06 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.26 0.54 -0.15 2.82 -0.71 -0.88 -1.51 117.98 115.83 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 -0.06 -0.34 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2hw0 s PHE 19 CO 0.23 -0.05 0.34 0.95 -1.34 0.00 0.00 175.22 175.36 2hw0 s THR 20 N -0.74 -0.11 -0.02 -4.49 -4.23 0.96 -2.43 115.64 104.58 2hw0 s THR 20 Ca -0.04 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2hw0 s THR 20 Cb -0.06 -0.52 0.03 0.00 1.34 0.00 0.00 72.50 73.29 2hw0 s THR 20 CO 0.00 0.05 0.04 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.52 1.15 0.06 4.79 2.96 -0.91 -1.32 118.68 126.94 2hw0 s LEU 21 Ca -0.08 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.59 2hw0 s LEU 21 Cb -0.10 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.53 2hw0 s LEU 21 CO -0.11 -0.12 0.99 0.54 -1.32 0.00 0.00 176.35 176.34 2hw0 s ASN 22 N 0.95 7.40 -0.87 3.68 4.22 -1.26 -1.05 114.94 128.01 2hw0 s ASN 22 Ca -0.08 1.76 -0.05 0.00 -2.14 0.00 0.00 52.86 52.36 2hw0 s ASN 22 Cb -0.11 -2.58 -0.00 0.00 1.28 0.00 0.00 41.25 39.83 2hw0 s ASN 22 CO -0.03 -0.19 0.70 -3.20 -2.04 0.00 0.00 177.10 172.34 2hw0 n ASN 23 N 3.36 -6.27 -4.77 3.54 4.05 0.87 -4.92 115.26 111.12 2hw0 n ASN 23 Ca 0.05 -0.59 -0.37 0.00 0.45 0.00 0.00 54.58 54.11 2hw0 n ASN 23 Cb 0.50 -3.71 -0.01 0.00 1.23 0.00 0.00 39.78 37.78 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 -4.33 3.84 0.47 1.20 0.04 -1.26 -5.04 135.00 129.91 2hw0 s PRO 24 Ca 0.12 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2hw0 s PRO 24 Cb -0.04 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2hw0 s PRO 24 CO 0.82 -0.49 0.75 -1.12 0.04 0.00 0.00 177.00 177.00 2hw0 s SER 25 N -1.28 6.21 0.46 6.66 0.01 -1.26 -4.88 113.70 119.62 2hw0 s SER 25 Ca 0.62 0.82 0.15 0.00 1.31 0.00 0.00 55.95 58.84 2hw0 s SER 25 Cb -0.29 -2.16 1.06 0.00 0.21 0.00 0.00 66.02 64.84 2hw0 s SER 25 CO 0.36 -0.57 2.02 -0.33 0.41 0.00 0.00 173.24 175.13 2hw0 h GLU 26 N 0.29 0.00 0.08 12.44 5.08 -1.98 0.24 114.58 130.72 2hw0 h GLU 26 Ca -0.47 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.70 2hw0 h GLU 26 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 2hw0 h GLU 26 CO 0.61 0.15 -0.79 0.22 -1.00 0.00 0.00 179.01 178.20 2hw0 h ASP 27 N 0.00 0.57 -0.09 1.42 1.82 -1.98 -2.38 116.42 115.79 2hw0 h ASP 27 Ca -0.00 -0.85 -0.04 0.00 -0.39 0.00 0.00 57.03 55.76 2hw0 h ASP 27 Cb 0.27 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 2hw0 h ASP 27 CO 0.02 1.36 -0.09 -0.08 -1.61 0.00 0.00 179.24 178.83 2hw0 h GLU 28 N -0.14 0.22 -0.57 0.28 4.57 -1.88 -1.81 114.58 115.24 2hw0 h GLU 28 Ca -0.12 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2hw0 h GLU 28 Cb 1.54 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.11 2hw0 h GLU 28 CO 0.15 0.65 0.24 -0.09 -1.18 0.00 0.00 179.01 178.79 2hw0 h ARG 29 N -0.21 0.82 -0.20 1.92 2.43 -0.67 -2.29 114.38 116.18 2hw0 h ARG 29 Ca 0.01 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 2hw0 h ARG 29 Cb 0.62 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2hw0 h ARG 29 CO 0.02 0.67 -0.45 -0.22 -1.51 0.00 0.00 179.97 178.47 2hw0 h LYS 30 N 0.82 0.52 0.18 0.20 3.64 -1.40 -2.33 116.57 118.19 2hw0 h LYS 30 Ca 0.20 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2hw0 h LYS 30 Cb 0.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2hw0 h LYS 30 CO -0.02 0.87 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.72 2hw0 h LYS 31 N 0.42 -0.23 -0.72 1.90 3.64 -0.78 0.32 116.57 121.11 2hw0 h LYS 31 Ca 0.03 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2hw0 h LYS 31 Cb 0.96 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2hw0 h LYS 31 CO 0.08 -0.07 0.41 0.82 -2.27 0.00 0.00 179.45 178.43 2hw0 h ILE 32 N -0.34 1.22 0.00 2.00 2.04 -1.47 -1.61 117.51 119.34 2hw0 h ILE 32 Ca -0.02 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2hw0 h ILE 32 Cb 0.27 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2hw0 h ILE 32 CO 0.04 0.23 -0.09 -0.09 0.00 0.00 0.00 178.15 178.25 2hw0 h ARG 33 N 0.99 0.00 -0.51 2.37 2.43 -1.29 -2.56 114.38 115.82 2hw0 h ARG 33 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2hw0 h ARG 33 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2hw0 h ARG 33 CO -0.04 0.09 0.00 -3.47 -1.51 0.00 0.00 179.97 175.03 2hw0 n ASP 34 N -3.19 2.92 -4.75 -3.80 2.03 0.11 -4.96 116.55 104.91 2hw0 n ASP 34 Ca 0.01 -1.97 -0.31 0.00 0.52 0.00 0.00 54.79 53.04 2hw0 n ASP 34 Cb 0.39 -0.34 0.11 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.11 2.93 -0.12 -2.67 1.43 -0.75 -4.95 118.68 113.45 2hw0 s LEU 35 Ca 0.37 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 2hw0 s LEU 35 Cb 0.20 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2hw0 s LEU 35 CO 0.26 -2.24 1.54 -2.16 0.23 0.00 0.00 176.35 173.98 2hw0 s PRO 36 N -4.87 4.11 0.26 1.29 0.04 -1.26 -4.90 135.00 129.67 2hw0 s PRO 36 Ca 0.62 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.62 2hw0 s PRO 36 Cb -0.18 -3.94 0.35 0.00 0.04 0.00 0.00 34.50 30.78 2hw0 s PRO 36 CO 0.56 -0.91 1.66 -0.84 0.04 0.00 0.00 177.00 177.52 2hw0 h ILE 37 N 5.68 1.30 0.00 0.56 3.07 -1.92 -2.64 117.51 123.56 2hw0 h ILE 37 Ca -0.35 -1.49 -0.01 0.00 1.55 0.00 0.00 64.86 64.56 2hw0 h ILE 37 Cb 1.15 1.57 -0.00 0.00 -0.27 0.00 0.00 36.82 39.27 2hw0 h ILE 37 CO 0.97 0.46 -0.06 0.77 -1.05 0.00 0.00 178.15 179.24 2hw0 h SER 38 N 0.34 0.00 0.80 2.16 4.64 -1.98 -1.77 113.55 117.74 2hw0 h SER 38 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 2hw0 h SER 38 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 2hw0 h SER 38 CO 0.07 0.06 -0.57 0.25 -0.87 0.00 0.00 176.83 175.76 2hw0 h LEU 39 N 0.00 0.00 -7.74 5.97 6.46 -1.87 -3.42 115.31 114.71 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 0.28 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.83 2hw0 h LEU 39 CO 0.01 0.57 -0.80 -0.36 -0.62 0.00 0.00 178.44 177.23 2hw0 s PHE 40 N -3.46 2.31 0.56 1.25 0.40 -0.66 -2.50 117.98 115.87 2hw0 s PHE 40 Ca -0.00 -1.53 0.29 0.00 -0.60 0.00 0.00 56.93 55.09 2hw0 s PHE 40 Cb 0.11 -1.58 1.46 0.00 0.51 0.00 0.00 43.02 43.53 2hw0 s PHE 40 CO 0.74 -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 3.58 -1.63 -3.38 116.42 120.96 2hw0 h ASP 41 Ca -0.26 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.82 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.78 2hw0 h ASP 41 CO 0.46 0.00 -0.75 -0.47 -2.88 0.00 0.00 179.24 175.60 2hw0 s TYR 42 N -4.83 0.31 -0.14 0.28 5.04 -1.24 -0.15 117.35 116.62 2hw0 s TYR 42 Ca -0.05 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.61 2hw0 s TYR 42 Cb 0.19 -0.52 0.04 0.00 0.35 0.00 0.00 41.96 42.02 2hw0 s TYR 42 CO 0.67 -0.19 -0.00 0.12 -1.34 0.00 0.00 175.55 174.81 2hw0 s PHE 43 N 1.59 1.06 -0.09 4.97 2.19 -0.99 0.05 117.98 126.77 2hw0 s PHE 43 Ca -0.02 -0.65 -0.02 0.00 0.33 0.00 0.00 56.93 56.57 2hw0 s PHE 43 Cb -0.13 -1.02 0.04 0.00 -1.31 0.00 0.00 43.02 40.60 2hw0 s PHE 43 CO -0.03 -0.51 0.04 -1.50 1.83 0.00 0.00 175.22 175.05 2hw0 s ILE 44 N 1.85 0.15 0.03 3.12 2.07 -0.40 -1.34 121.20 126.68 2hw0 s ILE 44 Ca 0.02 0.13 0.08 0.00 -1.41 0.00 0.00 60.65 59.47 2hw0 s ILE 44 Cb -0.15 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 2hw0 s ILE 44 CO -0.07 0.11 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.06 1.94 0.02 4.00 1.01 -0.52 0.01 120.40 128.91 2hw0 s VAL 45 Ca 0.04 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.77 2hw0 s VAL 45 Cb -0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2hw0 s VAL 45 CO -0.05 0.34 -0.04 -0.83 0.00 0.00 0.00 175.10 174.52 2hw0 s GLY 46 N -1.09 0.27 -0.14 4.51 0.00 -0.92 -0.58 107.32 109.37 2hw0 s GLY 46 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 2hw0 s GLY 46 CO 0.01 -0.47 0.01 1.85 0.00 0.00 0.00 173.10 174.51 2hw0 s GLU 47 N -0.91 3.50 -0.25 2.90 2.12 0.37 -2.31 118.70 124.13 2hw0 s GLU 47 Ca -0.07 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2hw0 s GLU 47 Cb -0.06 -2.97 0.07 0.00 0.26 0.00 0.00 34.13 31.43 2hw0 s GLU 47 CO -0.00 0.44 0.00 -2.00 -0.54 0.00 0.00 175.26 173.16 2hw0 s GLU 48 N -0.15 1.26 -0.10 4.30 2.12 -0.45 -3.83 118.70 121.85 2hw0 s GLU 48 Ca 0.05 -0.99 0.14 0.00 0.36 0.00 0.00 54.97 54.53 2hw0 s GLU 48 Cb -0.12 -2.45 0.29 0.00 0.26 0.00 0.00 34.13 32.11 2hw0 s GLU 48 CO 0.02 -0.72 1.17 0.41 -0.54 0.00 0.00 175.26 175.60 2hw0 n GLY 49 N 4.73 1.13 3.46 -1.50 0.00 -1.26 -0.52 105.19 111.23 2hw0 n GLY 49 Ca -0.08 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 2hw0 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 50 N -1.78 6.69 -0.30 1.61 0.02 -1.26 -4.78 114.94 115.14 2hw0 s ASN 50 Ca 0.17 -2.17 -0.17 0.00 -1.02 0.00 0.00 52.86 49.67 2hw0 s ASN 50 Cb 0.25 -2.41 0.18 0.00 0.02 0.00 0.00 41.25 39.30 2hw0 s ASN 50 CO -0.08 -1.03 1.19 -1.61 0.02 0.00 0.00 177.10 175.59 2hw0 s GLU 51 N 2.60 0.02 0.18 -0.60 2.02 -1.26 -5.10 118.70 116.56 2hw0 s GLU 51 Ca 0.35 0.02 -0.33 0.00 0.02 0.00 0.00 54.97 55.03 2hw0 s GLU 51 Cb -0.04 0.01 -0.15 0.00 0.10 0.00 0.00 34.13 34.05 2hw0 s GLU 51 CO -0.08 -0.03 1.37 -1.91 0.02 0.00 0.00 175.26 174.63 2hw0 n GLU 52 N 5.09 1.66 -0.51 1.61 2.13 -1.26 -0.64 120.64 128.73 2hw0 n GLU 52 Ca 0.07 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2hw0 n GLU 52 Cb 0.58 -2.23 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 2.47 1.10 3.53 8.31 0.00 -1.26 -5.03 105.19 114.31 2hw0 n GLY 53 Ca 0.15 0.00 -0.26 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 -0.33 1.91 0.38 1.61 3.52 0.19 -5.14 118.95 121.08 2hw0 s ARG 54 Ca 0.00 -1.42 -0.02 0.00 -0.13 0.00 0.00 55.73 54.17 2hw0 s ARG 54 Cb 0.00 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.32 2hw0 s ARG 54 CO 0.00 0.40 0.61 0.95 -0.81 0.00 0.00 175.30 176.45 2hw0 s THR 55 N -1.88 5.05 0.74 4.11 -4.23 -1.26 -4.82 115.64 113.34 2hw0 s THR 55 Ca 0.25 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 2hw0 s THR 55 Cb -0.08 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.95 2hw0 s THR 55 CO 0.14 -0.61 1.10 -2.16 -0.54 0.00 0.00 174.62 172.55 2hw0 s PRO 56 N -4.35 2.41 -0.00 3.99 0.04 -1.26 -4.79 135.00 131.04 2hw0 s PRO 56 Ca 0.42 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 2hw0 s PRO 56 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2hw0 s PRO 56 CO 0.38 -1.53 0.01 -1.58 0.04 0.00 0.00 177.00 174.31 2hw0 s HIS 57 N -2.74 -0.00 -0.15 0.56 2.46 0.33 -0.09 115.29 115.66 2hw0 s HIS 57 Ca 0.63 0.02 -0.10 0.00 0.47 0.00 0.00 55.06 56.08 2hw0 s HIS 57 Cb -0.18 -0.02 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.52 -0.01 0.19 -1.17 -2.47 0.00 0.00 174.74 171.80 2hw0 s LEU 58 N 0.12 4.30 -0.25 8.88 0.20 -0.22 -1.34 118.68 130.37 2hw0 s LEU 58 Ca -0.01 0.43 -0.03 0.00 0.69 0.00 0.00 54.13 55.21 2hw0 s LEU 58 Cb -0.01 -2.19 0.14 0.00 -0.43 0.00 0.00 46.19 43.70 2hw0 s LEU 58 CO -0.00 0.25 0.45 -1.58 -0.29 0.00 0.00 176.35 175.18 2hw0 s GLN 59 N -0.21 0.41 0.25 1.98 2.00 -0.98 -2.14 119.66 120.97 2hw0 s GLN 59 Ca 0.14 0.76 -0.08 0.00 -2.00 0.00 0.00 55.36 54.18 2hw0 s GLN 59 Cb -0.12 -0.04 -0.01 0.00 0.80 0.00 0.00 33.01 33.63 2hw0 s GLN 59 CO 0.03 -0.56 0.38 0.20 -0.50 0.00 0.00 175.29 174.83 2hw0 s GLY 60 N 2.65 0.93 -0.01 2.59 0.00 -1.02 -2.15 107.32 110.31 2hw0 s GLY 60 Ca 0.12 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.68 2hw0 s GLY 60 CO -0.17 -0.90 -0.14 -0.12 0.00 0.00 0.00 173.10 171.77 2hw0 s PHE 61 N -3.91 1.28 -0.05 1.90 5.36 0.10 -2.08 117.98 120.58 2hw0 s PHE 61 Ca 0.28 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 56.00 2hw0 s PHE 61 Cb 0.01 -0.82 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 2hw0 s PHE 61 CO 0.12 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.39 0.62 -0.37 11.12 0.00 -0.83 -1.27 121.76 130.64 2hw0 s ALA 62 Ca 0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2hw0 s ALA 62 Cb -0.06 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.21 0.65 1.21 0.00 0.00 0.00 175.76 177.40 2hw0 s ASN 63 N 1.38 6.41 0.00 0.00 3.84 0.11 -2.29 114.94 124.40 2hw0 s ASN 63 Ca -0.04 0.07 -0.30 0.00 0.21 0.00 0.00 52.86 52.80 2hw0 s ASN 63 Cb -0.13 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.64 1.35 -0.36 -2.79 0.00 0.00 177.10 174.63 2hw0 s PHE 64 N 2.76 2.99 0.58 0.43 0.08 0.11 -2.30 117.98 122.63 2hw0 s PHE 64 Ca 0.25 0.94 0.34 0.00 0.12 0.00 0.00 56.93 58.57 2hw0 s PHE 64 Cb -0.14 -3.60 1.94 0.00 -0.57 0.00 0.00 43.02 40.65 2hw0 s PHE 64 CO 0.16 -2.13 2.26 0.28 -0.10 0.00 0.00 175.22 175.69 2hw0 h VAL 65 N 4.86 0.38 -4.76 -0.44 2.07 -1.76 -3.42 116.25 113.18 2hw0 h VAL 65 Ca -0.38 -0.07 -0.51 0.00 0.82 0.00 0.00 66.70 66.56 2hw0 h VAL 65 Cb 1.18 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.90 2hw0 h VAL 65 CO 0.89 0.01 -0.39 0.29 0.02 0.00 0.00 177.57 178.39 2hw0 n LYS 66 N -3.61 0.85 -3.10 1.57 4.01 -1.26 -5.01 118.16 111.61 2hw0 n LYS 66 Ca -0.03 -2.98 -0.41 0.00 -0.51 0.00 0.00 58.31 54.38 2hw0 n LYS 66 Cb 0.10 1.10 -0.06 0.00 -0.51 0.00 0.00 35.03 35.66 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 -3.43 3.94 0.11 1.97 -0.14 -1.26 -4.26 119.74 116.68 2hw0 s LYS 67 Ca 0.07 0.36 0.05 0.00 -1.36 0.00 0.00 55.97 55.10 2hw0 s LYS 67 Cb 0.00 -3.71 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 2hw0 s LYS 67 CO 0.05 -0.55 -0.13 -0.65 -0.76 0.00 0.00 175.35 173.30 2hw0 s GLN 68 N 2.61 0.98 0.56 1.68 -1.52 -1.01 -4.87 119.66 118.10 2hw0 s GLN 68 Ca 0.26 -1.20 0.03 0.00 -1.95 0.00 0.00 55.36 52.50 2hw0 s GLN 68 Cb -0.15 -0.84 0.05 0.00 -0.22 0.00 0.00 33.01 31.85 2hw0 s GLN 68 CO 0.11 0.16 0.78 0.95 -0.25 0.00 0.00 175.29 177.05 2hw0 s THR 69 N -2.10 2.56 0.06 -0.19 -4.23 -1.26 -1.70 115.64 108.77 2hw0 s THR 69 Ca 0.07 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 2hw0 s THR 69 Cb -0.05 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.80 2hw0 s THR 69 CO 0.02 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.82 2hw0 h PHE 70 N 0.06 -0.47 -0.77 3.99 3.57 -1.92 0.31 116.94 121.71 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 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.15 2hw0 h PHE 70 CO 0.27 -0.24 0.45 -0.91 -2.23 0.00 0.00 178.31 175.65 2hw0 h ASN 71 N -0.60 0.95 -0.02 0.41 4.21 -2.00 -2.60 115.58 115.93 2hw0 h ASN 71 Ca -0.05 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 2hw0 h ASN 71 Cb 0.44 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2hw0 h ASN 71 CO 0.08 0.75 0.00 0.50 -1.29 0.00 0.00 177.43 177.48 2hw0 h LYS 72 N 1.07 0.04 -0.34 0.81 3.11 -1.93 -2.62 116.57 116.71 2hw0 h LYS 72 Ca 0.28 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.20 2hw0 h LYS 72 Cb -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2hw0 h LYS 72 CO -0.05 0.27 0.38 0.28 -2.81 0.00 0.00 179.45 177.52 2hw0 h VAL 73 N -0.20 0.38 0.00 2.00 2.07 -0.21 0.33 116.25 120.63 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 0.69 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 -3.69 0.07 0.27 1.57 5.02 -0.99 -1.62 118.16 118.80 2hw0 n LYS 74 Ca 0.05 0.46 0.17 0.00 -2.02 0.00 0.00 58.31 56.97 2hw0 n LYS 74 Cb 0.54 -1.69 0.66 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.46 -0.44 115.95 122.27 2hw0 h TRP 75 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 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 0.01 -1.43 0.66 -1.28 0.00 0.00 178.44 176.40 2hw0 n TYR 76 N -3.11 0.00 0.58 0.12 4.01 -0.64 -4.62 117.16 113.50 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 0.32 -0.31 0.42 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.43 0.24 -0.95 7.72 4.77 -0.84 -4.94 117.00 119.56 2hw0 n LEU 77 Ca -0.17 0.55 0.04 0.00 -0.03 0.00 0.00 56.01 56.40 2hw0 n LEU 77 Cb 0.60 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2hw0 n LEU 77 CO 0.01 -0.27 -0.34 0.61 -1.33 0.00 0.00 177.39 176.07 2hw0 n GLY 78 N 0.40 -3.42 0.14 -0.72 0.00 -0.17 -4.20 105.19 97.21 2hw0 n GLY 78 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.79 -0.86 4.61 0.00 -1.95 -3.23 119.26 118.35 2hw0 h ALA 79 Ca -0.05 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.45 2hw0 h ALA 79 Cb 0.70 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2hw0 h ALA 79 CO 0.02 0.75 0.46 0.00 0.00 0.00 0.00 179.25 180.48 2hw0 h ARG 80 N 0.00 0.67 -5.71 0.00 2.47 -1.94 -3.39 114.38 106.48 2hw0 h ARG 80 Ca -0.01 -0.04 -0.59 0.00 -1.26 0.00 0.00 59.98 58.09 2hw0 h ARG 80 Cb 1.23 -0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 29.32 2hw0 h ARG 80 CO 0.08 0.44 -0.20 0.00 0.56 0.00 0.00 179.97 180.85 2hw0 s HIS 82 N 0.31 3.10 0.08 0.00 2.46 -0.43 -4.79 115.29 116.01 2hw0 s HIS 82 Ca 0.23 1.06 0.07 0.00 0.47 0.00 0.00 55.06 56.89 2hw0 s HIS 82 Cb -0.15 -3.53 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2hw0 s HIS 82 CO 0.09 -1.81 -0.12 0.96 -2.47 0.00 0.00 174.74 171.39 2hw0 s ILE 83 N 2.04 3.21 0.16 0.89 -4.36 -1.26 -0.02 121.20 121.86 2hw0 s ILE 83 Ca 0.60 -1.23 -0.11 0.00 -0.26 0.00 0.00 60.65 59.66 2hw0 s ILE 83 Cb -0.29 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2hw0 s ILE 83 CO 0.25 0.19 0.32 -0.70 0.24 0.00 0.00 174.94 175.25 2hw0 s GLU 84 N -1.95 1.17 0.10 0.37 2.56 -0.57 -4.97 118.70 115.40 2hw0 s GLU 84 Ca 0.19 -1.08 -0.30 0.00 0.00 0.00 0.00 54.97 53.78 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 2.00 0.00 0.00 34.13 36.37 2hw0 s GLU 84 CO 0.11 -0.44 1.08 -1.59 -0.56 0.00 0.00 175.26 173.86 2hw0 s LYS 85 N -3.93 4.56 0.40 4.30 -2.85 -1.26 -0.19 119.74 120.76 2hw0 s LYS 85 Ca 0.14 1.62 -0.04 0.00 -1.00 0.00 0.00 55.97 56.69 2hw0 s LYS 85 Cb 0.03 -3.35 -0.04 0.00 -2.06 0.00 0.00 37.83 32.40 2hw0 s LYS 85 CO -0.02 -0.02 0.67 0.00 0.10 0.00 0.00 175.35 176.09 2hw0 s ALA 86 N 0.42 3.52 -0.06 0.59 0.00 -1.26 -4.86 121.76 120.11 2hw0 s ALA 86 Ca 0.52 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2hw0 s ALA 86 Cb -0.27 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.45 2hw0 s ALA 86 CO 0.31 -0.10 0.21 -1.59 0.00 0.00 0.00 175.76 174.60 2hw0 s LYS 87 N -4.26 0.34 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.75 2hw0 s LYS 87 Ca 0.45 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 2hw0 s LYS 87 Cb -0.10 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2hw0 s LYS 87 CO 0.38 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2hw0 n GLY 88 N 2.50 1.64 3.92 0.59 0.00 -1.26 -4.77 105.19 107.82 2hw0 n GLY 88 Ca -0.15 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.44 2.00 0.28 2.61 -4.23 -1.26 -4.70 115.64 108.89 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 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 71.11 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 -1.38 0.88 -0.03 3.99 2.03 -1.87 -0.60 116.42 119.45 2hw0 h ASP 90 Ca -0.45 0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 55.76 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 0.51 0.47 -0.43 1.56 -1.03 0.00 0.00 179.24 180.31 2hw0 h GLN 91 N 0.96 0.56 -0.72 4.15 7.50 -1.92 -0.24 115.11 125.39 2hw0 h GLN 91 Ca 0.48 -0.30 -0.04 0.00 0.50 0.00 0.00 58.65 59.29 2hw0 h GLN 91 Cb 0.47 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 2hw0 h GLN 91 CO -0.26 0.89 0.28 1.96 -1.50 0.00 0.00 178.83 180.20 2hw0 h GLN 92 N 0.45 1.07 0.02 1.46 4.20 -1.49 0.25 115.11 121.09 2hw0 h GLN 92 Ca 0.03 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 2hw0 h GLN 92 Cb 0.94 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.56 2hw0 h GLN 92 CO 0.08 0.89 -0.48 -0.91 -0.67 0.00 0.00 178.83 177.75 2hw0 h ASN 93 N 1.03 0.37 -0.67 1.46 -0.26 -1.21 -1.91 115.58 114.39 2hw0 h ASN 93 Ca 0.24 -0.82 -0.02 0.00 -0.56 0.00 0.00 56.30 55.14 2hw0 h ASN 93 Cb 0.22 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 2hw0 h ASN 93 CO -0.02 1.15 0.35 0.50 -1.06 0.00 0.00 177.43 178.35 2hw0 h LYS 94 N -0.35 0.94 -0.27 0.81 3.64 -0.99 -2.34 116.57 118.00 2hw0 h LYS 94 Ca -0.07 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 2hw0 h LYS 94 Cb 1.24 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2hw0 h LYS 94 CO 0.09 0.72 -0.45 0.93 -2.27 0.00 0.00 179.45 178.47 2hw0 h GLU 95 N 0.91 0.70 0.19 1.90 4.39 -0.58 -2.65 114.58 119.44 2hw0 h GLU 95 Ca 0.23 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.55 2hw0 h GLU 95 Cb 0.06 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2hw0 h GLU 95 CO -0.04 1.00 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.67 2hw0 h TYR 96 N 0.56 -0.59 -0.45 4.33 5.03 -1.02 0.30 116.97 125.13 2hw0 h TYR 96 Ca 0.04 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2hw0 h TYR 96 Cb 1.00 0.24 -0.02 0.00 1.55 0.00 0.00 36.73 39.49 2hw0 h TYR 96 CO 0.05 -0.33 0.21 0.00 -1.32 0.00 0.00 178.16 176.77 2hw0 n SER 98 N -4.39 0.50 0.33 0.00 2.88 -0.86 -3.26 113.62 108.82 2hw0 n SER 98 Ca 0.03 0.56 0.21 0.00 -1.33 0.00 0.00 58.87 58.35 2hw0 n SER 98 Cb 0.12 -0.69 1.15 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.12 0.32 116.57 119.19 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 0.93 -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 -1.69 -3.46 114.58 116.41 2hw0 h GLU 100 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hw0 h GLU 100 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 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 0.31 1.72 2.84 -3.84 0.00 0.10 -4.81 105.19 101.52 2hw0 n GLY 101 Ca 0.02 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 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 102 N -3.33 1.43 -0.10 1.61 -0.87 -1.25 -5.08 114.94 107.36 2hw0 s ASN 102 Ca 0.00 -0.14 -0.13 0.00 -1.57 0.00 0.00 52.86 51.02 2hw0 s ASN 102 Cb 0.00 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.25 40.67 2hw0 s ASN 102 CO 0.00 -0.13 0.30 -0.76 -2.57 0.00 0.00 177.10 173.95 2hw0 s LEU 103 N 1.51 4.34 -0.16 0.60 2.01 -1.26 -0.48 118.68 125.25 2hw0 s LEU 103 Ca -0.01 0.65 0.16 0.00 0.01 0.00 0.00 54.13 54.93 2hw0 s LEU 103 Cb -0.13 -2.39 -0.22 0.00 0.01 0.00 0.00 46.19 43.46 2hw0 s LEU 103 CO -0.03 0.22 0.09 -0.11 1.01 0.00 0.00 176.35 177.53 2hw0 n LEU 104 N 2.73 0.00 -3.63 1.79 7.94 0.25 -4.68 117.00 121.40 2hw0 n LEU 104 Ca -0.14 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.65 2hw0 n LEU 104 Cb 0.53 0.39 -0.07 0.00 0.53 0.00 0.00 43.42 44.80 2hw0 n LEU 104 CO 0.37 0.39 0.41 -0.32 -1.11 0.00 0.00 177.39 177.14 2hw0 s MET 105 N -2.49 0.78 -0.25 1.96 0.00 -0.71 -4.95 119.30 113.64 2hw0 s MET 105 Ca -0.08 1.05 -0.01 0.00 0.00 0.00 0.00 55.69 56.65 2hw0 s MET 105 Cb 0.06 0.31 0.08 0.00 0.00 0.00 0.00 34.83 35.28 2hw0 s MET 105 CO 0.71 -0.11 0.04 -2.00 0.00 0.00 0.00 175.02 173.66 2hw0 s GLU 106 N 0.78 0.87 0.34 4.11 -6.30 -1.26 -1.44 118.70 115.79 2hw0 s GLU 106 Ca -0.03 -0.81 -0.08 0.00 -2.50 0.00 0.00 54.97 51.55 2hw0 s GLU 106 Cb -0.05 -2.16 0.02 0.00 0.00 0.00 0.00 34.13 31.93 2hw0 s GLU 106 CO -0.06 -0.78 0.56 0.00 0.02 0.00 0.00 175.26 175.00 2hw0 n GLY 108 N -0.52 -2.07 3.73 0.00 0.00 -1.26 -2.34 105.19 102.73 2hw0 n GLY 108 Ca -0.02 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.50 3.36 -1.18 4.61 0.00 0.79 -4.76 121.76 123.09 2hw0 s ALA 109 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 2hw0 s ALA 109 Cb 0.00 -1.01 -0.09 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 2.49 -0.11 0.00 0.04 -1.26 -4.29 135.00 128.11 2hw0 s PRO 110 Ca 0.32 -1.14 -0.29 0.00 0.04 0.00 0.00 61.00 59.93 2hw0 s PRO 110 Cb -0.07 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 2hw0 s PRO 110 CO 0.22 -3.98 1.47 1.03 0.04 0.00 0.00 177.00 175.79 2hw0 s ARG 111 N 6.50 4.20 0.30 4.56 1.81 -1.26 -4.86 118.95 130.20 2hw0 s ARG 111 Ca 0.68 1.94 0.04 0.00 -1.72 0.00 0.00 55.73 56.68 2hw0 s ARG 111 Cb -0.01 -3.88 0.05 0.00 -0.45 0.00 0.00 34.95 30.66 2hw0 s ARG 111 CO 0.13 -0.79 0.42 0.43 -0.68 0.00 0.00 175.30 174.81 2hw0 n SER 112 N 6.91 1.04 -3.24 0.23 7.64 -1.26 -3.53 113.62 121.41 2hw0 n SER 112 Ca 0.16 -1.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.13 2hw0 n SER 112 Cb 0.44 -0.23 0.09 0.00 -1.01 0.00 0.00 64.21 63.50 2hw0 n SER 112 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2hw0 n GLN 113 N -1.67 -0.20 -2.68 1.43 7.27 -1.26 -4.82 117.38 115.44 2hw0 n GLN 113 Ca 0.08 -1.33 -0.12 0.00 0.07 0.00 0.00 57.00 55.70 2hw0 n GLN 113 Cb 0.31 -0.54 -0.01 0.00 2.41 0.00 0.00 30.24 32.41 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 0.53 3.13 3.82 1.69 0.00 -1.26 -5.07 105.19 108.02 2hw0 n GLY 114 Ca 0.09 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 2hw0 n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hw0 s GLN 115 N -2.97 2.32 0.00 1.61 -1.52 -1.26 -5.22 119.66 112.62 2hw0 s GLN 115 Ca 0.11 0.62 0.26 0.00 -1.95 0.00 0.00 55.36 54.40 2hw0 s GLN 115 Cb -0.01 -1.95 0.67 0.00 -0.22 0.00 0.00 33.01 31.50 2hw0 s GLN 115 CO 0.07 -1.45 1.53 0.54 -0.25 0.00 0.00 175.29 175.72