#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 -0.73 -0.28 3.54 0.15 -1.26 -5.16 113.70 109.95 2hw0 s SER 3 Ca 0.00 0.90 -0.18 0.00 0.70 0.00 0.00 55.95 57.37 2hw0 s SER 3 Cb 0.00 1.79 0.10 0.00 -1.71 0.00 0.00 66.02 66.20 2hw0 s SER 3 CO 0.00 -0.14 0.81 -1.59 1.20 0.00 0.00 173.24 173.52 2hw0 s LYS 4 N 2.62 0.61 -0.23 5.44 -2.85 -1.26 -5.17 119.74 118.90 2hw0 s LYS 4 Ca -0.01 0.97 -0.31 0.00 -1.00 0.00 0.00 55.97 55.62 2hw0 s LYS 4 Cb -0.08 0.17 0.16 0.00 -2.06 0.00 0.00 37.83 36.02 2hw0 s LYS 4 CO -0.17 -0.11 1.22 0.15 0.10 0.00 0.00 175.35 176.53 2hw0 s LYS 5 N 1.24 0.27 0.31 1.78 1.02 -1.26 -5.19 119.74 117.91 2hw0 s LYS 5 Ca -0.07 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.94 2hw0 s LYS 5 Cb -0.05 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.38 2hw0 s LYS 5 CO -0.14 -0.09 0.37 1.21 -0.92 0.00 0.00 175.35 175.77 2hw0 s ASN 6 N -1.31 0.93 0.00 2.83 3.84 -1.26 -5.13 114.94 114.84 2hw0 s ASN 6 Ca 0.06 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.63 2hw0 s ASN 6 Cb -0.01 0.59 0.00 0.00 -0.55 0.00 0.00 41.25 41.28 2hw0 s ASN 6 CO -0.04 -1.15 0.00 0.61 -2.79 0.00 0.00 177.10 173.72 2hw0 n GLY 7 N -0.52 -0.89 1.18 1.21 0.00 -1.26 -5.19 105.19 99.71 2hw0 n GLY 7 Ca 0.03 0.62 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 2hw0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hw0 n ARG 8 N 0.00 0.68 -4.44 1.61 5.12 -1.26 -5.18 116.66 113.19 2hw0 n ARG 8 Ca 0.00 -1.21 -0.24 0.00 -1.93 0.00 0.00 57.85 54.46 2hw0 n ARG 8 Cb 0.00 0.72 -0.10 0.00 -1.16 0.00 0.00 32.46 31.93 2hw0 n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2hw0 s SER 9 N -1.88 3.82 0.00 0.55 0.01 -1.26 -5.09 113.70 109.85 2hw0 s SER 9 Ca 0.09 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2hw0 s SER 9 Cb 0.00 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2hw0 s SER 9 CO 0.06 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2hw0 n GLY 10 N -0.72 0.64 3.77 3.44 0.00 -1.26 -5.08 105.19 105.97 2hw0 n GLY 10 Ca -0.05 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.89 4.13 0.23 1.61 0.04 -1.26 -5.06 135.00 133.80 2hw0 s PRO 11 Ca 0.00 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.05 2hw0 s PRO 11 Cb 0.00 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2hw0 s PRO 11 CO 0.00 -0.28 -0.15 -0.65 0.04 0.00 0.00 177.00 175.96 2hw0 s GLN 12 N -2.15 1.44 0.50 4.56 -0.21 -1.26 -5.07 119.66 117.47 2hw0 s GLN 12 Ca 0.55 -1.65 -0.21 0.00 0.02 0.00 0.00 55.36 54.06 2hw0 s GLN 12 Cb -0.33 -1.28 -0.07 0.00 1.00 0.00 0.00 33.01 32.33 2hw0 s GLN 12 CO 0.42 0.20 1.15 -1.25 -2.12 0.00 0.00 175.29 173.69 2hw0 s PRO 13 N -3.62 3.57 0.35 2.91 0.04 -1.26 -4.88 135.00 132.10 2hw0 s PRO 13 Ca 0.25 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.04 2hw0 s PRO 13 Cb -0.01 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2hw0 s PRO 13 CO 0.09 -0.69 0.22 -1.01 0.04 0.00 0.00 177.00 175.65 2hw0 s HIS 14 N -1.65 1.72 -0.49 0.56 3.76 -0.41 -4.69 115.29 114.08 2hw0 s HIS 14 Ca 0.68 -1.52 0.16 0.00 -0.15 0.00 0.00 55.06 54.23 2hw0 s HIS 14 Cb -0.26 -0.85 0.72 0.00 1.11 0.00 0.00 32.58 33.29 2hw0 s HIS 14 CO 0.31 -0.66 1.63 0.36 -0.85 0.00 0.00 174.74 175.53 2hw0 n LYS 15 N -0.69 4.12 -3.73 1.40 0.00 -1.26 -2.18 118.16 115.82 2hw0 n LYS 15 Ca 0.03 -2.99 -0.16 0.00 -0.00 0.00 0.00 58.31 55.19 2hw0 n LYS 15 Cb 0.63 -2.04 -0.16 0.00 -0.00 0.00 0.00 35.03 33.46 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 -2.47 -0.00 -0.15 -1.58 3.00 -1.26 -0.01 118.95 116.48 2hw0 s ARG 16 Ca 0.50 0.33 -0.11 0.00 0.00 0.00 0.00 55.73 56.45 2hw0 s ARG 16 Cb 0.37 -0.29 0.05 0.00 0.00 0.00 0.00 34.95 35.08 2hw0 s ARG 16 CO 0.17 -0.22 0.38 -1.58 0.00 0.00 0.00 175.30 174.04 2hw0 s TRP 17 N 1.50 -0.47 0.28 -0.53 0.52 -0.96 -4.13 118.94 115.15 2hw0 s TRP 17 Ca -0.05 1.09 0.08 0.00 0.02 0.00 0.00 56.10 57.24 2hw0 s TRP 17 Cb -0.12 0.18 -0.04 0.00 -1.15 0.00 0.00 33.47 32.34 2hw0 s TRP 17 CO -0.04 -0.25 0.14 0.14 0.02 0.00 0.00 176.95 176.96 2hw0 s VAL 18 N 0.70 3.78 0.02 4.03 -7.23 0.75 -1.98 120.40 120.47 2hw0 s VAL 18 Ca -0.04 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2hw0 s VAL 18 Cb -0.05 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 2hw0 s VAL 18 CO -0.05 -0.30 -0.06 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.26 0.56 -0.15 2.82 -0.71 -0.96 -1.81 117.98 115.47 2hw0 s PHE 19 Ca 0.34 -0.27 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 2hw0 s PHE 19 Cb -0.06 -0.35 0.06 0.00 -1.21 0.00 0.00 43.02 41.46 2hw0 s PHE 19 CO 0.23 -0.04 0.34 0.95 -1.34 0.00 0.00 175.22 175.36 2hw0 s THR 20 N -0.68 -0.09 -0.01 -4.49 -4.23 0.29 -2.64 115.64 103.80 2hw0 s THR 20 Ca -0.03 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 0.01 0.00 1.34 0.00 0.00 72.50 73.28 2hw0 s THR 20 CO 0.00 0.05 0.01 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.48 1.72 0.07 4.79 2.96 -0.95 -1.49 118.68 127.27 2hw0 s LEU 21 Ca -0.08 0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 2hw0 s LEU 21 Cb -0.10 0.00 -0.06 0.00 0.50 0.00 0.00 46.19 46.54 2hw0 s LEU 21 CO -0.11 -0.04 0.85 0.21 -1.32 0.00 0.00 176.35 175.94 2hw0 s ASN 22 N 0.30 7.34 -0.94 3.68 3.84 -1.26 -1.05 114.94 126.86 2hw0 s ASN 22 Ca -0.03 1.60 -0.09 0.00 0.21 0.00 0.00 52.86 54.55 2hw0 s ASN 22 Cb -0.04 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 2hw0 s ASN 22 CO -0.01 -0.02 0.72 -3.20 -2.79 0.00 0.00 177.10 171.81 2hw0 n ASN 23 N 2.77 -5.98 -4.77 -4.21 2.85 0.90 -4.91 115.26 101.92 2hw0 n ASN 23 Ca -0.01 -0.72 -0.40 0.00 -0.11 0.00 0.00 54.58 53.34 2hw0 n ASN 23 Cb 0.50 -3.55 -0.03 0.00 1.24 0.00 0.00 39.78 37.94 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hw0 s PRO 24 N -4.79 4.38 0.35 1.20 0.04 -1.25 -5.03 135.00 129.90 2hw0 s PRO 24 Ca 0.21 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2hw0 s PRO 24 Cb -0.07 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2hw0 s PRO 24 CO 0.83 -0.10 0.60 -1.12 0.04 0.00 0.00 177.00 177.26 2hw0 s SER 25 N -0.74 6.35 0.53 6.66 0.01 -1.26 -4.92 113.70 120.33 2hw0 s SER 25 Ca 0.49 0.65 0.20 0.00 1.31 0.00 0.00 55.95 58.60 2hw0 s SER 25 Cb -0.36 -2.12 1.33 0.00 0.21 0.00 0.00 66.02 65.09 2hw0 s SER 25 CO 0.46 -0.31 2.09 -0.33 0.41 0.00 0.00 173.24 175.57 2hw0 h GLU 26 N 1.01 0.00 -0.03 12.44 5.08 -1.98 -0.09 114.58 131.02 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2hw0 h GLU 26 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hw0 h GLU 26 CO 0.63 0.00 -0.05 0.22 -1.00 0.00 0.00 179.01 178.82 2hw0 h ASP 27 N 0.00 0.09 -0.07 1.42 3.58 -1.98 -1.29 116.42 118.17 2hw0 h ASP 27 Ca 0.09 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 2hw0 h ASP 27 Cb 0.38 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2hw0 h ASP 27 CO -0.00 0.61 0.02 -0.33 -2.88 0.00 0.00 179.24 176.66 2hw0 h GLU 28 N -0.43 0.11 -0.20 0.28 4.39 -1.80 -1.64 114.58 115.30 2hw0 h GLU 28 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2hw0 h GLU 28 Cb 0.59 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2hw0 h GLU 28 CO 0.01 0.28 0.03 0.00 -1.16 0.00 0.00 179.01 178.17 2hw0 h ARG 29 N -0.09 0.28 -0.34 2.33 3.08 -1.12 -2.22 114.38 116.29 2hw0 h ARG 29 Ca 0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 2hw0 h ARG 29 Cb 0.22 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2hw0 h ARG 29 CO -0.00 0.28 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.53 2hw0 h LYS 30 N 0.28 0.88 0.19 0.04 3.64 -0.96 -0.44 116.57 120.19 2hw0 h LYS 30 Ca 0.07 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2hw0 h LYS 30 Cb 0.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2hw0 h LYS 30 CO -0.00 1.13 -0.09 -0.22 -2.27 0.00 0.00 179.45 178.00 2hw0 h LYS 31 N 0.71 -0.25 -0.61 1.90 3.11 -0.72 0.30 116.57 121.01 2hw0 h LYS 31 Ca 0.05 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.81 2hw0 h LYS 31 Cb 1.02 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 2hw0 h LYS 31 CO 0.10 -0.08 0.00 0.82 -2.81 0.00 0.00 179.45 177.48 2hw0 h ILE 32 N -0.36 1.27 0.00 2.00 2.04 -1.49 -2.02 117.51 118.95 2hw0 h ILE 32 Ca -0.03 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 2hw0 h ILE 32 Cb 0.28 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2hw0 h ILE 32 CO 0.04 0.42 -0.06 -0.09 0.00 0.00 0.00 178.15 178.46 2hw0 h ARG 33 N 0.98 0.00 -0.62 2.37 2.43 -0.97 -2.42 114.38 116.15 2hw0 h ARG 33 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2hw0 h ARG 33 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2hw0 h ARG 33 CO 0.03 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.08 2hw0 n ASP 34 N -3.18 3.67 -4.72 -3.80 2.03 0.10 -4.98 116.55 105.68 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.35 -0.41 0.13 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 -1.14 2.87 -0.10 -2.67 1.43 -0.80 -4.93 118.68 113.34 2hw0 s LEU 35 Ca 0.45 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 2hw0 s LEU 35 Cb 0.24 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.32 -2.55 1.53 -2.16 0.23 0.00 0.00 176.35 173.71 2hw0 s PRO 36 N -4.79 4.17 0.24 1.29 0.04 -1.26 -4.91 135.00 129.79 2hw0 s PRO 36 Ca 0.64 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.68 2hw0 s PRO 36 Cb -0.20 -3.92 0.29 0.00 0.04 0.00 0.00 34.50 30.71 2hw0 s PRO 36 CO 0.57 -0.83 1.61 -0.84 0.04 0.00 0.00 177.00 177.55 2hw0 h ILE 37 N 5.59 1.32 0.00 0.56 3.07 -1.92 -2.67 117.51 123.46 2hw0 h ILE 37 Ca -0.35 -1.64 0.00 0.00 1.55 0.00 0.00 64.86 64.43 2hw0 h ILE 37 Cb 1.15 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 2hw0 h ILE 37 CO 0.96 0.50 0.00 0.28 -1.05 0.00 0.00 178.15 178.84 2hw0 h SER 38 N 0.34 0.00 0.98 2.16 0.02 -1.99 -2.18 113.55 112.87 2hw0 h SER 38 Ca 0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 2hw0 h SER 38 Cb 0.92 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2hw0 h SER 38 CO 0.08 0.00 -0.74 0.25 -1.14 0.00 0.00 176.83 175.27 2hw0 h LEU 39 N 0.00 0.00 -7.78 5.07 6.46 -1.87 -3.43 115.31 113.76 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 0.32 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.88 2hw0 h LEU 39 CO 0.00 0.74 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.39 2hw0 s PHE 40 N -3.08 2.31 0.54 1.25 0.40 -0.82 -2.53 117.98 116.05 2hw0 s PHE 40 Ca 0.01 -1.50 0.30 0.00 -0.60 0.00 0.00 56.93 55.15 2hw0 s PHE 40 Cb 0.10 -1.60 1.47 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.78 -0.72 1.91 -0.44 0.70 0.00 0.00 175.22 177.44 2hw0 h ASP 41 N 8.00 0.00 -3.40 1.36 3.32 -1.65 -3.38 116.42 120.67 2hw0 h ASP 41 Ca -0.28 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.40 2hw0 h ASP 41 Cb 1.10 -0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 2hw0 h ASP 41 CO 0.47 0.00 -0.75 -0.47 -1.72 0.00 0.00 179.24 176.78 2hw0 s TYR 42 N -4.98 0.26 -0.14 4.55 5.04 -1.24 -1.20 117.35 119.63 2hw0 s TYR 42 Ca -0.05 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2hw0 s TYR 42 Cb 0.21 -0.48 0.04 0.00 0.35 0.00 0.00 41.96 42.08 2hw0 s TYR 42 CO 0.77 -0.18 -0.00 0.12 -1.34 0.00 0.00 175.55 174.91 2hw0 s PHE 43 N 1.56 1.08 -0.09 4.97 2.19 -1.02 -0.04 117.98 126.64 2hw0 s PHE 43 Ca -0.02 -0.66 -0.02 0.00 0.33 0.00 0.00 56.93 56.56 2hw0 s PHE 43 Cb -0.13 -1.03 0.04 0.00 -1.31 0.00 0.00 43.02 40.59 2hw0 s PHE 43 CO -0.03 -0.51 0.03 -1.50 1.83 0.00 0.00 175.22 175.05 2hw0 s ILE 44 N 1.84 0.21 0.01 3.12 2.07 -0.42 -0.88 121.20 127.14 2hw0 s ILE 44 Ca 0.02 0.10 0.07 0.00 -1.41 0.00 0.00 60.65 59.43 2hw0 s ILE 44 Cb -0.15 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.13 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.03 1.81 0.00 4.00 1.01 -0.29 0.02 120.40 128.99 2hw0 s VAL 45 Ca 0.04 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.96 2hw0 s VAL 45 Cb -0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2hw0 s VAL 45 CO -0.05 0.42 -0.07 -0.83 0.00 0.00 0.00 175.10 174.56 2hw0 s GLY 46 N -0.78 0.38 -0.11 4.51 0.00 -0.79 -0.09 107.32 110.43 2hw0 s GLY 46 Ca 0.09 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 2hw0 s GLY 46 CO 0.00 -0.36 0.33 1.85 0.00 0.00 0.00 173.10 174.92 2hw0 s GLU 47 N -0.43 4.07 -0.19 2.90 2.12 -0.15 -2.27 118.70 124.76 2hw0 s GLU 47 Ca 0.01 0.19 -0.09 0.00 0.36 0.00 0.00 54.97 55.44 2hw0 s GLU 47 Cb -0.04 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2hw0 s GLU 47 CO -0.00 0.42 0.11 -2.00 -0.54 0.00 0.00 175.26 173.24 2hw0 s GLU 48 N -0.12 4.10 -0.50 4.30 -6.30 0.83 -4.02 118.70 116.99 2hw0 s GLU 48 Ca 0.19 -0.26 0.06 0.00 -2.50 0.00 0.00 54.97 52.47 2hw0 s GLU 48 Cb -0.14 -3.34 0.19 0.00 0.00 0.00 0.00 34.13 30.83 2hw0 s GLU 48 CO 0.07 0.31 0.65 0.20 0.02 0.00 0.00 175.26 176.51 2hw0 s GLY 49 N 0.32 -0.78 0.00 -1.50 0.00 -1.26 -1.52 107.32 102.57 2hw0 s GLY 49 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2hw0 s GLY 49 CO -0.01 3.36 0.00 -2.01 0.00 0.00 0.00 173.10 174.44 2hw0 n ASN 50 N 2.95 -1.87 -4.28 1.64 2.85 -1.26 -4.96 115.26 110.33 2hw0 n ASN 50 Ca 0.20 -0.05 -0.30 0.00 -0.11 0.00 0.00 54.58 54.32 2hw0 n ASN 50 Cb 0.54 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.77 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hw0 n GLU 51 N -1.92 -2.09 -1.18 1.20 1.02 -1.26 -4.77 120.64 111.64 2hw0 n GLU 51 Ca 0.00 -0.59 -0.35 0.00 -0.02 0.00 0.00 57.16 56.19 2hw0 n GLU 51 Cb 0.00 -1.84 0.08 0.00 -0.02 0.00 0.00 31.44 29.67 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2hw0 n GLU 52 N -3.11 0.21 0.00 3.49 2.13 -1.26 -2.76 120.64 119.35 2hw0 n GLU 52 Ca 0.01 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2hw0 n GLU 52 Cb 0.59 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 1.47 3.08 3.82 8.31 0.00 -1.26 -5.02 105.19 115.59 2hw0 n GLY 53 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 3.84 0.58 1.61 6.06 -1.11 -5.09 118.95 124.52 2hw0 s ARG 54 Ca 0.00 0.15 -0.11 0.00 -2.50 0.00 0.00 55.73 53.27 2hw0 s ARG 54 Cb 0.00 -3.26 -0.05 0.00 0.06 0.00 0.00 34.95 31.70 2hw0 s ARG 54 CO 0.00 0.61 0.99 0.95 -2.50 0.00 0.00 175.30 175.35 2hw0 s THR 55 N -0.69 4.71 0.49 4.11 -4.23 -1.26 -4.75 115.64 114.02 2hw0 s THR 55 Ca 0.19 0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 61.32 2hw0 s THR 55 Cb -0.14 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.78 2hw0 s THR 55 CO 0.08 -1.04 1.15 -2.16 -0.54 0.00 0.00 174.62 172.11 2hw0 s PRO 56 N -4.95 3.62 -0.01 3.99 0.04 -1.26 -4.75 135.00 131.68 2hw0 s PRO 56 Ca 0.55 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 2hw0 s PRO 56 Cb -0.11 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2hw0 s PRO 56 CO 0.49 -0.66 0.01 -1.58 0.04 0.00 0.00 177.00 175.31 2hw0 s HIS 57 N -1.63 -0.00 -0.10 0.56 2.46 -0.58 -0.07 115.29 115.93 2hw0 s HIS 57 Ca 0.67 0.03 -0.15 0.00 0.47 0.00 0.00 55.06 56.08 2hw0 s HIS 57 Cb -0.27 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.11 2hw0 s HIS 57 CO 0.32 -0.02 0.38 -1.17 -2.47 0.00 0.00 174.74 171.78 2hw0 s LEU 58 N 0.14 4.32 -0.24 8.88 0.20 -0.21 -0.12 118.68 131.65 2hw0 s LEU 58 Ca -0.01 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.50 2hw0 s LEU 58 Cb -0.02 -2.52 0.13 0.00 -0.43 0.00 0.00 46.19 43.35 2hw0 s LEU 58 CO -0.00 0.14 0.42 -1.58 -0.29 0.00 0.00 176.35 175.03 2hw0 s GLN 59 N 0.04 0.38 0.29 1.98 2.00 -0.96 -2.23 119.66 121.16 2hw0 s GLN 59 Ca 0.21 0.70 -0.09 0.00 -2.00 0.00 0.00 55.36 54.18 2hw0 s GLN 59 Cb -0.15 -0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.49 2hw0 s GLN 59 CO 0.09 -0.56 0.50 0.20 -0.50 0.00 0.00 175.29 175.01 2hw0 s GLY 60 N 2.60 0.86 -0.00 2.59 0.00 -1.08 -1.89 107.32 110.40 2hw0 s GLY 60 Ca 0.11 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2hw0 s GLY 60 CO -0.16 -0.74 -0.10 -0.12 0.00 0.00 0.00 173.10 171.98 2hw0 s PHE 61 N -3.54 0.90 -0.05 1.90 5.36 0.10 -2.28 117.98 120.37 2hw0 s PHE 61 Ca 0.25 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2hw0 s PHE 61 Cb -0.01 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.13 2hw0 s PHE 61 CO 0.13 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.85 2hw0 s ALA 62 N -0.30 0.66 -0.38 11.12 0.00 -0.84 -1.30 121.76 130.72 2hw0 s ALA 62 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 2hw0 s ALA 62 Cb -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.20 0.61 1.21 0.00 0.00 0.00 175.76 177.38 2hw0 s ASN 63 N 1.35 6.38 0.09 0.00 3.84 0.95 -2.27 114.94 125.27 2hw0 s ASN 63 Ca -0.04 -0.01 -0.31 0.00 0.21 0.00 0.00 52.86 52.70 2hw0 s ASN 63 Cb -0.13 -2.31 -0.07 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.62 1.36 -0.36 -2.79 0.00 0.00 177.10 174.67 2hw0 s PHE 64 N 2.67 3.21 0.56 0.43 0.08 0.98 -2.35 117.98 123.57 2hw0 s PHE 64 Ca 0.23 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.57 2hw0 s PHE 64 Cb -0.15 -3.63 1.78 0.00 -0.57 0.00 0.00 43.02 40.45 2hw0 s PHE 64 CO 0.16 -2.21 2.22 0.28 -0.10 0.00 0.00 175.22 175.57 2hw0 h VAL 65 N 4.40 0.50 -4.01 -0.44 2.07 -1.77 -3.42 116.25 113.58 2hw0 h VAL 65 Ca -0.41 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 66.73 2hw0 h VAL 65 Cb 1.21 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2hw0 h VAL 65 CO 0.86 0.03 -0.20 2.29 0.02 0.00 0.00 177.57 180.56 2hw0 n LYS 66 N -3.75 1.02 -3.05 1.57 0.00 -1.26 -5.00 118.16 107.69 2hw0 n LYS 66 Ca -0.03 -1.52 -0.41 0.00 -0.00 0.00 0.00 58.31 56.36 2hw0 n LYS 66 Cb 0.11 0.68 -0.06 0.00 -0.00 0.00 0.00 35.03 35.77 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 -2.71 4.19 0.08 -1.58 1.02 -1.26 -4.20 119.74 115.27 2hw0 s LYS 67 Ca 0.06 0.70 0.04 0.00 0.02 0.00 0.00 55.97 56.79 2hw0 s LYS 67 Cb 0.00 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2hw0 s LYS 67 CO 0.04 -0.35 -0.12 -0.65 -0.92 0.00 0.00 175.35 173.36 2hw0 s GLN 68 N 2.27 0.79 0.55 1.68 -1.52 -0.93 -4.87 119.66 117.64 2hw0 s GLN 68 Ca 0.30 -1.00 0.01 0.00 -1.95 0.00 0.00 55.36 52.73 2hw0 s GLN 68 Cb -0.16 -0.65 0.03 0.00 -0.22 0.00 0.00 33.01 32.02 2hw0 s GLN 68 CO 0.09 0.13 0.78 0.95 -0.25 0.00 0.00 175.29 176.99 2hw0 s THR 69 N -1.69 2.66 0.06 -0.19 -4.23 -1.26 -1.29 115.64 109.70 2hw0 s THR 69 Ca -0.01 -0.66 -0.31 0.00 -1.18 0.00 0.00 61.69 59.53 2hw0 s THR 69 Cb -0.08 -3.00 -0.18 0.00 1.34 0.00 0.00 72.50 70.59 2hw0 s THR 69 CO 0.01 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.81 2hw0 h PHE 70 N 0.07 -0.70 -0.83 3.99 3.57 -1.98 0.30 116.94 121.35 2hw0 h PHE 70 Ca -0.42 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2hw0 h PHE 70 Cb 1.30 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 2hw0 h PHE 70 CO 0.37 -0.41 0.43 -0.97 -2.23 0.00 0.00 178.31 175.50 2hw0 h ASN 71 N -0.82 1.05 -0.02 0.41 -1.24 -2.00 -2.73 115.58 110.24 2hw0 h ASN 71 Ca -0.08 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 2hw0 h ASN 71 Cb 0.60 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 2hw0 h ASN 71 CO 0.13 0.86 0.00 0.50 -1.29 0.00 0.00 177.43 177.63 2hw0 h LYS 72 N 1.17 0.03 -0.36 6.67 1.63 -1.92 -2.64 116.57 121.15 2hw0 h LYS 72 Ca 0.29 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.19 2hw0 h LYS 72 Cb 0.06 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2hw0 h LYS 72 CO -0.04 0.27 0.38 0.28 -3.45 0.00 0.00 179.45 176.88 2hw0 h VAL 73 N -0.21 0.42 0.00 2.00 2.07 -0.22 0.32 116.25 120.63 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 30.72 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 -3.78 0.08 0.28 1.57 5.02 -0.99 -1.59 118.16 118.74 2hw0 n LYS 74 Ca 0.06 0.47 0.17 0.00 -2.02 0.00 0.00 58.31 56.99 2hw0 n LYS 74 Cb 0.55 -1.70 0.70 0.00 -0.02 0.00 0.00 35.03 34.56 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -0.49 -0.32 115.95 122.35 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 0.13 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 -1.44 0.66 -1.28 0.00 0.00 178.44 176.39 2hw0 n TYR 76 N -3.10 0.00 -0.11 0.12 4.01 -0.62 -4.74 117.16 112.73 2hw0 n TYR 76 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 2hw0 n TYR 76 Cb 0.30 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2hw0 n TYR 76 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2hw0 h LEU 77 N -0.34 1.00 0.00 7.72 3.38 -1.55 -3.47 115.31 122.05 2hw0 h LEU 77 Ca -0.22 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2hw0 h LEU 77 Cb 1.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2hw0 h LEU 77 CO -0.13 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2hw0 n GLY 78 N 0.22 1.32 0.15 0.83 0.00 -0.13 -4.63 105.19 102.94 2hw0 n GLY 78 Ca -0.03 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.32 2hw0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw0 h ALA 79 N 0.00 0.80 -0.96 4.61 0.00 -1.97 -3.21 119.26 118.54 2hw0 h ALA 79 Ca 0.00 -0.49 0.17 0.00 0.00 0.00 0.00 54.91 54.60 2hw0 h ALA 79 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2hw0 h ALA 79 CO 0.00 0.67 0.61 0.00 0.00 0.00 0.00 179.25 180.52 2hw0 h ARG 80 N 0.00 0.68 -5.53 0.00 2.47 -1.95 -3.39 114.38 106.65 2hw0 h ARG 80 Ca -0.01 -0.04 -0.65 0.00 -1.26 0.00 0.00 59.98 58.03 2hw0 h ARG 80 Cb 1.19 -0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.26 2hw0 h ARG 80 CO 0.07 0.45 -0.50 0.00 0.56 0.00 0.00 179.97 180.55 2hw0 s HIS 82 N -0.52 3.18 0.03 0.00 2.46 -0.55 -4.81 115.29 115.07 2hw0 s HIS 82 Ca 0.12 1.15 0.07 0.00 0.47 0.00 0.00 55.06 56.87 2hw0 s HIS 82 Cb -0.12 -3.48 -0.03 0.00 -0.13 0.00 0.00 32.58 28.83 2hw0 s HIS 82 CO 0.02 -1.56 -0.19 0.96 -2.47 0.00 0.00 174.74 171.50 2hw0 s ILE 83 N 1.93 2.72 0.15 0.89 -4.36 -1.26 -0.55 121.20 120.72 2hw0 s ILE 83 Ca 0.58 -1.15 -0.10 0.00 -0.26 0.00 0.00 60.65 59.72 2hw0 s ILE 83 Cb -0.28 -2.12 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 2hw0 s ILE 83 CO 0.25 0.38 0.28 -1.61 0.24 0.00 0.00 174.94 174.48 2hw0 s GLU 84 N -1.30 1.11 0.11 0.37 2.02 -0.75 -4.97 118.70 115.28 2hw0 s GLU 84 Ca 0.14 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 2hw0 s GLU 84 Cb -0.10 0.38 -0.06 0.00 0.10 0.00 0.00 34.13 34.45 2hw0 s GLU 84 CO 0.04 -0.40 1.11 0.21 0.02 0.00 0.00 175.26 176.24 2hw0 s LYS 85 N -3.94 4.54 0.48 1.61 2.20 -1.26 -0.18 119.74 123.20 2hw0 s LYS 85 Ca 0.14 1.67 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 2hw0 s LYS 85 Cb 0.03 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2hw0 s LYS 85 CO -0.03 -0.05 0.83 0.00 -0.36 0.00 0.00 175.35 175.74 2hw0 s ALA 86 N 0.41 3.32 0.01 3.13 0.00 -1.26 -4.86 121.76 122.50 2hw0 s ALA 86 Ca 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2hw0 s ALA 86 Cb -0.28 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2hw0 s ALA 86 CO 0.32 -0.29 -0.01 -1.59 0.00 0.00 0.00 175.76 174.18 2hw0 s LYS 87 N -4.49 0.14 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.30 2hw0 s LYS 87 Ca 0.50 -0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 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 0.41 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 176.25 2hw0 n GLY 88 N 2.45 -0.25 3.94 0.59 0.00 -1.26 -4.75 105.19 105.92 2hw0 n GLY 88 Ca -0.17 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.94 2.15 0.28 2.61 -4.23 -1.26 -4.83 115.64 109.43 2hw0 s THR 89 Ca 0.00 -0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.25 2hw0 s THR 89 Cb 0.00 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.23 2hw0 s THR 89 CO 0.00 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.68 2hw0 h ASP 90 N -0.90 0.91 -0.07 3.99 2.03 -1.87 -0.44 116.42 120.08 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.79 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2hw0 h ASP 90 CO 0.49 0.49 -0.38 1.56 -1.03 0.00 0.00 179.24 180.37 2hw0 h GLN 91 N 0.99 0.58 -0.39 4.15 4.20 -1.93 -0.19 115.11 122.52 2hw0 h GLN 91 Ca 0.49 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 2hw0 h GLN 91 Cb 0.46 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2hw0 h GLN 91 CO -0.26 0.87 -0.17 1.96 -0.67 0.00 0.00 178.83 180.56 2hw0 h GLN 92 N 0.48 0.73 0.04 1.46 4.20 -1.50 0.10 115.11 120.63 2hw0 h GLN 92 Ca 0.05 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 2hw0 h GLN 92 Cb 0.88 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.62 2hw0 h GLN 92 CO 0.08 0.86 -0.48 -0.91 -0.67 0.00 0.00 178.83 177.70 2hw0 h ASN 93 N 0.65 0.36 -0.26 1.46 -0.26 -1.03 -2.05 115.58 114.45 2hw0 h ASN 93 Ca 0.10 -0.84 -0.01 0.00 -0.56 0.00 0.00 56.30 54.99 2hw0 h ASN 93 Cb 0.65 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2hw0 h ASN 93 CO 0.05 1.16 0.14 0.50 -1.06 0.00 0.00 177.43 178.21 2hw0 h LYS 94 N -0.40 0.37 -0.35 0.81 3.64 -1.02 -2.45 116.57 117.18 2hw0 h LYS 94 Ca -0.07 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2hw0 h LYS 94 Cb 1.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2hw0 h LYS 94 CO 0.09 0.34 -0.17 0.93 -2.27 0.00 0.00 179.45 178.38 2hw0 h GLU 95 N 0.30 0.63 -0.51 1.90 4.39 -1.09 -2.57 114.58 117.65 2hw0 h GLU 95 Ca 0.09 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.61 2hw0 h GLU 95 Cb 0.09 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2hw0 h GLU 95 CO -0.01 0.77 0.27 -0.92 -1.16 0.00 0.00 179.01 177.96 2hw0 h TYR 96 N 0.57 0.50 -0.25 4.33 5.03 -1.07 0.27 116.97 126.35 2hw0 h TYR 96 Ca 0.09 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 2hw0 h TYR 96 Cb 0.61 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2hw0 h TYR 96 CO 0.03 0.26 -0.30 0.00 -1.32 0.00 0.00 178.16 176.83 2hw0 n SER 98 N -4.09 0.47 0.30 0.00 2.88 -0.79 -3.38 113.62 109.00 2hw0 n SER 98 Ca -0.01 0.55 0.19 0.00 -1.33 0.00 0.00 58.87 58.27 2hw0 n SER 98 Cb 0.44 -0.67 1.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.00 0.19 116.57 118.94 2hw0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2hw0 h LYS 99 Cb 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2hw0 h LYS 99 CO 0.00 0.00 -0.03 0.93 -2.27 0.00 0.00 179.45 178.08 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 3.07 -1.73 -3.46 114.58 114.36 2hw0 h GLU 100 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2hw0 h GLU 100 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2hw0 h GLU 100 CO -0.00 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 2hw0 n GLY 101 N 0.31 1.30 2.84 -3.84 0.00 0.67 -4.72 105.19 101.74 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 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 102 N -3.14 1.44 -0.04 1.61 -0.87 -1.26 -5.09 114.94 107.59 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 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.25 40.66 2hw0 s ASN 102 CO 0.00 -0.12 0.35 -0.76 -2.57 0.00 0.00 177.10 174.00 2hw0 s LEU 103 N 1.49 4.44 -0.17 0.60 2.01 -1.26 -0.98 118.68 124.82 2hw0 s LEU 103 Ca -0.02 0.83 0.03 0.00 0.01 0.00 0.00 54.13 54.99 2hw0 s LEU 103 Cb -0.13 -2.48 -0.12 0.00 0.01 0.00 0.00 46.19 43.47 2hw0 s LEU 103 CO -0.03 0.31 -0.12 -0.11 1.01 0.00 0.00 176.35 177.41 2hw0 n LEU 104 N 2.04 2.48 -3.69 1.79 -0.00 0.86 -4.57 117.00 115.91 2hw0 n LEU 104 Ca -0.15 -0.08 -0.12 0.00 -0.00 0.00 0.00 56.01 55.66 2hw0 n LEU 104 Cb 0.53 -0.44 -0.09 0.00 -0.00 0.00 0.00 43.42 43.41 2hw0 n LEU 104 CO 0.37 0.71 0.19 -0.32 -0.00 0.00 0.00 177.39 178.34 2hw0 s MET 105 N -2.34 0.57 -0.26 1.96 0.00 -0.31 -4.95 119.30 113.98 2hw0 s MET 105 Ca -0.20 0.79 -0.00 0.00 0.00 0.00 0.00 55.69 56.27 2hw0 s MET 105 Cb 0.06 0.22 0.08 0.00 0.00 0.00 0.00 34.83 35.18 2hw0 s MET 105 CO 0.42 -0.10 0.03 -2.00 0.00 0.00 0.00 175.02 173.38 2hw0 s GLU 106 N 0.64 1.05 0.31 4.11 2.12 -1.26 -1.14 118.70 124.53 2hw0 s GLU 106 Ca -0.03 -0.94 -0.02 0.00 0.36 0.00 0.00 54.97 54.34 2hw0 s GLU 106 Cb -0.05 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 2hw0 s GLU 106 CO -0.04 -0.77 0.39 0.00 -0.54 0.00 0.00 175.26 174.30 2hw0 n GLY 108 N -0.51 -1.51 3.68 0.00 0.00 -1.26 -2.44 105.19 103.16 2hw0 n GLY 108 Ca 0.02 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.89 3.26 -0.94 4.61 0.00 -0.34 -4.76 121.76 121.69 2hw0 s ALA 109 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 2hw0 s ALA 109 Cb 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 23.12 21.93 2hw0 s ALA 109 CO 0.00 0.50 1.92 -0.35 0.00 0.00 0.00 175.76 177.83 2hw0 n PRO 110 N -0.11 1.49 -4.39 0.00 -0.04 -1.26 -4.39 135.00 126.31 2hw0 n PRO 110 Ca -0.10 -2.12 -0.26 0.00 -0.04 0.00 0.00 63.50 60.99 2hw0 n PRO 110 Cb 0.55 -3.29 -0.12 0.00 -0.04 0.00 0.00 33.50 30.60 2hw0 n PRO 110 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2hw0 s ARG 111 N 5.78 1.43 0.07 0.54 1.70 -1.26 -4.79 118.95 122.41 2hw0 s ARG 111 Ca 0.63 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 2hw0 s ARG 111 Cb 0.07 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 2hw0 s ARG 111 CO 0.14 0.37 0.00 0.45 -1.08 0.00 0.00 175.30 175.17 2hw0 n SER 112 N 0.37 0.60 -4.54 -2.89 2.88 -1.26 -4.60 113.62 104.18 2hw0 n SER 112 Ca -0.13 0.10 -0.27 0.00 -1.33 0.00 0.00 58.87 57.23 2hw0 n SER 112 Cb 0.56 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2hw0 s GLN 113 N -1.59 1.94 0.49 -1.46 -0.21 -1.26 -4.94 119.66 112.63 2hw0 s GLN 113 Ca 0.00 -2.15 0.06 0.00 0.02 0.00 0.00 55.36 53.30 2hw0 s GLN 113 Cb 0.00 -1.26 0.06 0.00 1.00 0.00 0.00 33.01 32.81 2hw0 s GLN 113 CO 0.00 -0.23 0.51 0.41 -2.12 0.00 0.00 175.29 173.86 2hw0 n GLY 114 N -0.96 2.42 2.15 3.09 0.00 -1.26 -5.06 105.19 105.57 2hw0 n GLY 114 Ca -0.08 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.69 2hw0 n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hw0 n GLN 115 N -1.83 0.00 0.00 1.61 6.02 -1.26 -5.30 117.38 116.62 2hw0 n GLN 115 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 2hw0 n GLN 115 Cb 0.53 0.00 0.75 0.00 1.02 0.00 0.00 30.24 32.54 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94