#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 1.98 -0.25 3.54 1.04 -1.26 -5.13 113.70 113.62 2hw0 s SER 3 Ca 0.00 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.72 2hw0 s SER 3 Cb 0.00 -0.08 0.10 0.00 0.10 0.00 0.00 66.02 66.14 2hw0 s SER 3 CO 0.00 -0.06 0.18 -0.75 0.98 0.00 0.00 173.24 173.59 2hw0 s LYS 4 N -2.00 0.20 -0.12 4.02 2.20 -1.26 -5.12 119.74 117.66 2hw0 s LYS 4 Ca 0.03 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 2hw0 s LYS 4 Cb -0.09 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.07 2hw0 s LYS 4 CO 0.03 -0.89 -0.17 0.15 -0.36 0.00 0.00 175.35 174.11 2hw0 s LYS 5 N 2.21 2.42 -0.30 4.03 1.02 -1.26 -5.07 119.74 122.79 2hw0 s LYS 5 Ca 0.07 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 2hw0 s LYS 5 Cb -0.15 -2.02 0.18 0.00 -0.52 0.00 0.00 37.83 35.32 2hw0 s LYS 5 CO -0.26 -0.05 1.17 -0.80 -0.92 0.00 0.00 175.35 174.50 2hw0 s ASN 6 N 0.93 -0.06 0.00 2.83 0.01 -1.26 -5.11 114.94 112.29 2hw0 s ASN 6 Ca -0.07 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2hw0 s ASN 6 Cb -0.15 0.88 0.00 0.00 0.41 0.00 0.00 41.25 42.39 2hw0 s ASN 6 CO -0.01 -0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.18 2hw0 n GLY 7 N 4.78 -1.63 0.70 0.66 0.00 -1.26 -5.16 105.19 103.28 2hw0 n GLY 7 Ca 0.10 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.67 2hw0 n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hw0 n ARG 8 N -0.40 0.43 -3.35 1.61 1.85 -1.26 -5.12 116.66 110.42 2hw0 n ARG 8 Ca 0.00 -0.48 -0.07 0.00 -1.00 0.00 0.00 57.85 56.30 2hw0 n ARG 8 Cb 0.00 -0.13 -0.07 0.00 -1.05 0.00 0.00 32.46 31.21 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2hw0 s SER 9 N -1.75 -0.05 0.62 2.89 0.15 -1.26 -5.16 113.70 109.13 2hw0 s SER 9 Ca 0.12 0.40 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 2hw0 s SER 9 Cb -0.01 1.30 0.04 0.00 -1.71 0.00 0.00 66.02 65.64 2hw0 s SER 9 CO 0.08 -0.29 0.25 0.61 1.20 0.00 0.00 173.24 175.09 2hw0 n GLY 10 N 5.38 0.17 3.77 9.45 0.00 -1.26 -5.06 105.19 117.64 2hw0 n GLY 10 Ca -0.04 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.20 3.57 0.12 1.61 0.04 -1.26 -5.06 135.00 130.82 2hw0 s PRO 11 Ca 0.16 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.93 2hw0 s PRO 11 Cb -0.01 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2hw0 s PRO 11 CO 0.11 -0.69 -0.10 1.14 0.04 0.00 0.00 177.00 177.50 2hw0 s GLN 12 N -2.97 0.94 0.33 4.56 0.00 -1.26 -5.11 119.66 116.14 2hw0 s GLN 12 Ca 0.68 -1.29 -0.28 0.00 -0.00 0.00 0.00 55.36 54.46 2hw0 s GLN 12 Cb -0.26 -0.55 -0.10 0.00 0.00 0.00 0.00 33.01 32.10 2hw0 s GLN 12 CO 0.31 0.07 1.22 -1.25 0.00 0.00 0.00 175.29 175.64 2hw0 s PRO 13 N -3.26 4.38 0.43 9.60 0.04 -1.26 -4.91 135.00 140.03 2hw0 s PRO 13 Ca 0.11 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2hw0 s PRO 13 Cb -0.00 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 2hw0 s PRO 13 CO -0.00 -0.09 0.10 -1.01 0.04 0.00 0.00 177.00 176.03 2hw0 s HIS 14 N -1.20 1.81 -0.47 0.56 3.76 -0.57 -4.62 115.29 114.57 2hw0 s HIS 14 Ca 0.49 -1.21 0.16 0.00 -0.15 0.00 0.00 55.06 54.35 2hw0 s HIS 14 Cb -0.36 -1.27 0.72 0.00 1.11 0.00 0.00 32.58 32.78 2hw0 s HIS 14 CO 0.47 -0.17 1.64 0.36 -0.85 0.00 0.00 174.74 176.18 2hw0 n LYS 15 N -1.00 4.14 -3.74 1.40 0.00 -1.26 -2.27 118.16 115.44 2hw0 n LYS 15 Ca -0.09 -3.00 -0.16 0.00 -0.00 0.00 0.00 58.31 55.06 2hw0 n LYS 15 Cb 0.65 -2.05 -0.16 0.00 -0.00 0.00 0.00 35.03 33.47 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 -0.03 -0.16 -1.58 3.00 -1.26 -0.01 118.95 116.42 2hw0 s ARG 16 Ca 0.50 0.27 -0.12 0.00 0.00 0.00 0.00 55.73 56.39 2hw0 s ARG 16 Cb 0.37 -0.30 0.05 0.00 0.00 0.00 0.00 34.95 35.06 2hw0 s ARG 16 CO 0.17 -0.21 0.40 -1.58 0.00 0.00 0.00 175.30 174.07 2hw0 s TRP 17 N 1.39 -0.50 0.28 -0.53 0.52 -0.89 -4.29 118.94 114.93 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 32.35 2hw0 s TRP 17 CO -0.03 -0.26 0.14 0.14 0.02 0.00 0.00 176.95 176.95 2hw0 s VAL 18 N 0.73 3.75 0.01 4.03 -7.23 0.47 -1.85 120.40 120.32 2hw0 s VAL 18 Ca -0.04 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2hw0 s VAL 18 Cb -0.05 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 2hw0 s VAL 18 CO -0.05 -0.30 -0.05 0.72 -0.31 0.00 0.00 175.10 175.11 2hw0 s PHE 19 N -2.27 0.42 -0.15 2.82 -0.71 -0.97 -1.93 117.98 115.19 2hw0 s PHE 19 Ca 0.34 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 55.90 2hw0 s PHE 19 Cb -0.06 -0.27 0.06 0.00 -1.21 0.00 0.00 43.02 41.54 2hw0 s PHE 19 CO 0.23 -0.06 0.34 0.95 -1.34 0.00 0.00 175.22 175.35 2hw0 s THR 20 N -0.68 -0.11 -0.01 -4.49 -4.23 0.09 -2.65 115.64 103.56 2hw0 s THR 20 Ca -0.05 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2hw0 s THR 20 Cb -0.05 -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 0.02 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.53 1.70 0.13 4.79 2.96 -0.93 -1.74 118.68 127.12 2hw0 s LEU 21 Ca -0.08 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.61 2hw0 s LEU 21 Cb -0.10 0.02 -0.07 0.00 0.50 0.00 0.00 46.19 46.55 2hw0 s LEU 21 CO -0.11 -0.04 0.79 0.21 -1.32 0.00 0.00 176.35 175.89 2hw0 s ASN 22 N 0.31 7.36 -0.93 3.68 2.47 -1.26 -0.72 114.94 125.85 2hw0 s ASN 22 Ca -0.02 1.62 -0.08 0.00 0.42 0.00 0.00 52.86 54.79 2hw0 s ASN 22 Cb -0.04 -2.50 -0.01 0.00 -1.45 0.00 0.00 41.25 37.26 2hw0 s ASN 22 CO -0.01 0.14 0.72 0.59 -3.72 0.00 0.00 177.10 174.82 2hw0 n ASN 23 N 2.00 -6.01 -4.76 -4.21 4.13 0.95 -4.90 115.26 102.45 2hw0 n ASN 23 Ca -0.04 -0.70 -0.41 0.00 1.68 0.00 0.00 54.58 55.11 2hw0 n ASN 23 Cb 0.49 -3.57 -0.03 0.00 -1.54 0.00 0.00 39.78 35.13 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2hw0 s PRO 24 N -4.73 4.45 0.35 3.52 0.04 -1.25 -5.03 135.00 132.35 2hw0 s PRO 24 Ca 0.20 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 2hw0 s PRO 24 Cb -0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2hw0 s PRO 24 CO 0.83 -0.09 0.60 -1.12 0.04 0.00 0.00 177.00 177.26 2hw0 s SER 25 N -0.38 6.35 0.53 6.66 0.01 -1.26 -4.91 113.70 120.69 2hw0 s SER 25 Ca 0.50 0.65 0.21 0.00 1.31 0.00 0.00 55.95 58.61 2hw0 s SER 25 Cb -0.37 -2.12 1.33 0.00 0.21 0.00 0.00 66.02 65.08 2hw0 s SER 25 CO 0.46 -0.31 2.08 -0.33 0.41 0.00 0.00 173.24 175.54 2hw0 h GLU 26 N 1.01 0.00 -0.04 12.44 5.08 -1.98 0.80 114.58 131.89 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 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 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.14 2hw0 h ASP 27 N 0.00 0.12 -0.08 1.42 5.19 -1.98 -1.54 116.42 119.55 2hw0 h ASP 27 Ca 0.12 -0.56 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 2hw0 h ASP 27 Cb 0.49 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 2hw0 h ASP 27 CO -0.00 0.66 0.00 -0.33 -3.12 0.00 0.00 179.24 176.45 2hw0 h GLU 28 N -0.41 0.13 -0.69 3.56 3.07 -1.78 -1.36 114.58 117.10 2hw0 h GLU 28 Ca 0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2hw0 h GLU 28 Cb 0.64 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 2hw0 h GLU 28 CO 0.01 0.38 0.46 0.00 -1.40 0.00 0.00 179.01 178.47 2hw0 h ARG 29 N -0.14 0.90 -0.20 2.33 3.08 -0.96 -1.84 114.38 117.55 2hw0 h ARG 29 Ca 0.02 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2hw0 h ARG 29 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2hw0 h ARG 29 CO 0.00 0.60 -0.46 -0.22 -1.07 0.00 0.00 179.97 178.83 2hw0 h LYS 30 N 0.93 0.51 0.13 0.04 3.64 -1.13 -0.45 116.57 120.24 2hw0 h LYS 30 Ca 0.26 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2hw0 h LYS 30 Cb -0.09 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2hw0 h LYS 30 CO -0.06 0.87 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.71 2hw0 h LYS 31 N 0.41 -0.17 -0.22 1.90 3.11 -0.43 0.31 116.57 121.48 2hw0 h LYS 31 Ca 0.03 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.73 2hw0 h LYS 31 Cb 0.96 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2hw0 h LYS 31 CO 0.08 -0.04 -0.47 0.82 -2.81 0.00 0.00 179.45 177.03 2hw0 h ILE 32 N -0.27 1.31 0.00 2.00 2.04 -1.45 -2.42 117.51 118.72 2hw0 h ILE 32 Ca -0.02 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 2hw0 h ILE 32 Cb 0.21 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2hw0 h ILE 32 CO 0.03 0.53 -0.04 -0.09 0.00 0.00 0.00 178.15 178.58 2hw0 h ARG 33 N 0.46 0.00 -0.53 2.37 2.43 -0.94 -2.63 114.38 115.54 2hw0 h ARG 33 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2hw0 h ARG 33 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2hw0 h ARG 33 CO 0.09 0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 178.34 2hw0 n ASP 34 N -3.13 3.69 -4.72 -3.80 9.92 0.11 -4.99 116.55 113.63 2hw0 n ASP 34 Ca 0.01 -2.00 -0.31 0.00 -0.53 0.00 0.00 54.79 51.97 2hw0 n ASP 34 Cb 0.38 -0.35 0.13 0.00 -0.64 0.00 0.00 41.12 40.64 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 -1.28 2.88 -0.15 0.64 1.43 -0.93 -4.93 118.68 116.33 2hw0 s LEU 35 Ca 0.43 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 2hw0 s LEU 35 Cb 0.24 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.32 -2.59 1.56 -2.16 0.23 0.00 0.00 176.35 173.72 2hw0 s PRO 36 N -4.78 4.02 0.28 1.29 0.04 -1.26 -4.90 135.00 129.69 2hw0 s PRO 36 Ca 0.64 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.58 2hw0 s PRO 36 Cb -0.20 -3.96 0.40 0.00 0.04 0.00 0.00 34.50 30.78 2hw0 s PRO 36 CO 0.57 -1.02 1.67 -0.84 0.04 0.00 0.00 177.00 177.43 2hw0 h ILE 37 N 5.81 1.31 0.00 0.56 3.07 -1.91 -2.63 117.51 123.72 2hw0 h ILE 37 Ca -0.34 -1.55 -0.01 0.00 1.55 0.00 0.00 64.86 64.50 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 0.98 0.47 -0.06 0.77 -1.05 0.00 0.00 178.15 179.26 2hw0 h SER 38 N 0.25 0.00 0.68 2.16 4.64 -1.99 -2.45 113.55 116.84 2hw0 h SER 38 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2hw0 h SER 38 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2hw0 h SER 38 CO 0.07 0.06 -0.56 0.25 -0.87 0.00 0.00 176.83 175.78 2hw0 h LEU 39 N 0.00 0.00 -7.96 5.97 6.46 -1.87 -3.42 115.31 114.49 2hw0 h LEU 39 Ca -0.00 0.00 -0.64 0.00 -0.12 0.00 0.00 57.88 57.12 2hw0 h LEU 39 Cb 0.45 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 40.03 2hw0 h LEU 39 CO 0.01 0.56 -0.84 -0.36 -0.62 0.00 0.00 178.44 177.18 2hw0 s PHE 40 N -3.61 2.50 0.62 1.25 0.40 -0.92 -2.63 117.98 115.59 2hw0 s PHE 40 Ca -0.01 -1.48 0.31 0.00 -0.60 0.00 0.00 56.93 55.15 2hw0 s PHE 40 Cb 0.12 -1.76 1.71 0.00 0.51 0.00 0.00 43.02 43.60 2hw0 s PHE 40 CO 0.74 -0.75 2.05 0.22 0.70 0.00 0.00 175.22 178.19 2hw0 h ASP 41 N 7.99 0.00 -3.09 1.36 1.82 -1.63 -3.39 116.42 119.47 2hw0 h ASP 41 Ca -0.41 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.03 2hw0 h ASP 41 Cb 1.13 0.00 -0.31 0.00 0.68 0.00 0.00 39.33 40.83 2hw0 h ASP 41 CO 0.58 0.00 -0.51 -0.47 -1.61 0.00 0.00 179.24 177.23 2hw0 s TYR 42 N -4.46 -0.38 -0.14 0.28 5.04 -1.24 -0.17 117.35 116.29 2hw0 s TYR 42 Ca -0.04 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.46 2hw0 s TYR 42 Cb 0.14 -0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.49 2hw0 s TYR 42 CO 0.47 -0.30 -0.00 0.12 -1.34 0.00 0.00 175.55 174.50 2hw0 s PHE 43 N 1.88 1.10 -0.09 4.97 2.19 -1.02 -0.06 117.98 126.95 2hw0 s PHE 43 Ca -0.04 -0.68 -0.02 0.00 0.33 0.00 0.00 56.93 56.52 2hw0 s PHE 43 Cb -0.11 -1.04 0.04 0.00 -1.31 0.00 0.00 43.02 40.60 2hw0 s PHE 43 CO -0.09 -0.51 0.04 -1.50 1.83 0.00 0.00 175.22 174.99 2hw0 s ILE 44 N 1.83 0.20 0.15 3.12 2.07 -0.45 -1.50 121.20 126.63 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 -0.15 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 2hw0 s ILE 44 CO -0.07 0.09 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.13 2hw0 s VAL 45 N 2.03 2.14 -0.16 4.00 1.01 -0.73 0.02 120.40 128.71 2hw0 s VAL 45 Ca 0.04 -1.85 -0.08 0.00 0.00 0.00 0.00 61.98 60.09 2hw0 s VAL 45 Cb -0.13 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.36 2hw0 s VAL 45 CO -0.06 -0.07 0.38 -0.83 0.00 0.00 0.00 175.10 174.52 2hw0 s GLY 46 N -2.35 -0.29 -0.03 4.51 0.00 -0.71 -1.98 107.32 106.47 2hw0 s GLY 46 Ca 0.15 1.41 -0.21 0.00 0.00 0.00 0.00 44.72 46.08 2hw0 s GLY 46 CO 0.07 1.74 0.59 1.85 0.00 0.00 0.00 173.10 177.35 2hw0 s GLU 47 N 1.61 4.33 -0.31 2.90 2.56 -1.16 -2.27 118.70 126.36 2hw0 s GLU 47 Ca -0.08 0.71 0.01 0.00 0.00 0.00 0.00 54.97 55.61 2hw0 s GLU 47 Cb -0.09 -3.37 0.07 0.00 2.00 0.00 0.00 34.13 32.74 2hw0 s GLU 47 CO -0.12 0.31 -0.00 -2.00 -0.56 0.00 0.00 175.26 172.88 2hw0 s GLU 48 N 0.03 2.14 0.00 4.30 2.56 0.40 -4.37 118.70 123.76 2hw0 s GLU 48 Ca 0.31 -1.47 0.00 0.00 0.00 0.00 0.00 54.97 53.81 2hw0 s GLU 48 Cb -0.18 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.82 2hw0 s GLU 48 CO 0.16 -0.71 0.00 0.41 -0.56 0.00 0.00 175.26 174.56 2hw0 n GLY 49 N 4.49 0.00 2.23 -1.50 0.00 -1.26 -0.50 105.19 108.65 2hw0 n GLY 49 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 7.09 -3.69 1.61 2.85 -1.26 -4.66 115.26 117.20 2hw0 n ASN 50 Ca 0.00 -3.63 -0.20 0.00 -0.11 0.00 0.00 54.58 50.64 2hw0 n ASN 50 Cb 0.00 -0.98 -0.18 0.00 1.24 0.00 0.00 39.78 39.87 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2hw0 s GLU 51 N -3.39 -0.01 0.43 1.20 2.12 -1.26 -5.13 118.70 112.66 2hw0 s GLU 51 Ca 0.58 0.34 -0.24 0.00 0.36 0.00 0.00 54.97 56.01 2hw0 s GLU 51 Cb 0.45 -0.54 -0.10 0.00 0.26 0.00 0.00 34.13 34.20 2hw0 s GLU 51 CO 0.00 -0.32 0.99 -1.91 -0.54 0.00 0.00 175.26 173.48 2hw0 n GLU 52 N 5.21 1.29 0.00 4.30 2.13 -1.26 -1.85 120.64 130.46 2hw0 n GLU 52 Ca -0.05 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2hw0 n GLU 52 Cb 0.50 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 1.22 3.00 3.67 8.31 0.00 -1.26 -5.02 105.19 115.11 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 -0.58 2.38 0.22 1.61 3.52 -0.77 -5.14 118.95 120.19 2hw0 s ARG 54 Ca 0.00 -1.34 0.05 0.00 -0.13 0.00 0.00 55.73 54.31 2hw0 s ARG 54 Cb 0.00 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 2hw0 s ARG 54 CO 0.00 0.38 0.30 0.95 -0.81 0.00 0.00 175.30 176.12 2hw0 s THR 55 N -2.24 5.07 0.30 4.11 -4.23 -1.26 -4.82 115.64 112.58 2hw0 s THR 55 Ca 0.31 -1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 2hw0 s THR 55 Cb -0.07 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.95 2hw0 s THR 55 CO 0.20 -0.28 1.23 -2.16 -0.54 0.00 0.00 174.62 173.08 2hw0 s PRO 56 N -3.78 4.46 -0.00 3.99 0.04 -1.26 -4.53 135.00 133.91 2hw0 s PRO 56 Ca 0.34 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 2hw0 s PRO 56 Cb -0.09 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2hw0 s PRO 56 CO 0.28 -0.05 0.01 -1.58 0.04 0.00 0.00 177.00 175.69 2hw0 s HIS 57 N -1.04 -0.00 -0.09 0.56 2.46 0.35 -0.04 115.29 117.49 2hw0 s HIS 57 Ca 0.48 0.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.87 2hw0 s HIS 57 Cb -0.37 -0.00 -0.05 0.00 -0.13 0.00 0.00 32.58 32.03 2hw0 s HIS 57 CO 0.47 -0.01 0.40 -1.17 -2.47 0.00 0.00 174.74 171.96 2hw0 s LEU 58 N -0.02 4.34 -0.25 8.88 0.20 0.10 -0.45 118.68 131.48 2hw0 s LEU 58 Ca -0.00 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.56 2hw0 s LEU 58 Cb -0.00 -2.56 0.14 0.00 -0.43 0.00 0.00 46.19 43.34 2hw0 s LEU 58 CO -0.00 0.15 0.44 -1.58 -0.29 0.00 0.00 176.35 175.07 2hw0 s GLN 59 N -0.04 0.40 0.30 1.98 2.00 -0.96 -2.18 119.66 121.15 2hw0 s GLN 59 Ca 0.22 0.74 -0.12 0.00 -2.00 0.00 0.00 55.36 54.20 2hw0 s GLN 59 Cb -0.15 -0.10 0.01 0.00 0.80 0.00 0.00 33.01 33.57 2hw0 s GLN 59 CO 0.09 -0.57 0.55 0.20 -0.50 0.00 0.00 175.29 175.07 2hw0 s GLY 60 N 2.64 0.66 -0.01 2.59 0.00 -1.08 -1.74 107.32 110.37 2hw0 s GLY 60 Ca 0.12 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2hw0 s GLY 60 CO -0.17 -0.60 -0.12 -0.12 0.00 0.00 0.00 173.10 172.09 2hw0 s PHE 61 N -3.51 1.05 -0.06 1.90 5.36 0.10 -2.29 117.98 120.54 2hw0 s PHE 61 Ca 0.22 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2hw0 s PHE 61 Cb -0.02 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 2hw0 s PHE 61 CO 0.12 -0.02 -0.03 0.00 -1.46 0.00 0.00 175.22 173.83 2hw0 s ALA 62 N -0.32 0.71 -0.37 11.12 0.00 -0.77 -1.34 121.76 130.80 2hw0 s ALA 62 Ca 0.04 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 2hw0 s ALA 62 Cb -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.18 0.54 1.21 0.00 0.00 0.00 175.76 177.33 2hw0 s ASN 63 N 1.30 6.32 0.08 0.00 3.84 0.92 -2.10 114.94 125.30 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 -0.14 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.21 2hw0 s ASN 63 CO -0.02 -0.55 1.36 -0.36 -2.79 0.00 0.00 177.10 174.74 2hw0 s PHE 64 N 2.48 3.19 0.58 0.43 0.08 0.98 -2.15 117.98 123.57 2hw0 s PHE 64 Ca 0.20 0.98 0.34 0.00 0.12 0.00 0.00 56.93 58.57 2hw0 s PHE 64 Cb -0.15 -3.63 1.95 0.00 -0.57 0.00 0.00 43.02 40.61 2hw0 s PHE 64 CO 0.14 -2.22 2.26 0.28 -0.10 0.00 0.00 175.22 175.59 2hw0 h VAL 65 N 4.44 0.36 -4.31 -0.44 2.07 -1.78 -3.42 116.25 113.17 2hw0 h VAL 65 Ca -0.41 -0.08 -0.36 0.00 0.82 0.00 0.00 66.70 66.66 2hw0 h VAL 65 Cb 1.20 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 2hw0 h VAL 65 CO 0.86 0.02 -0.29 0.29 0.02 0.00 0.00 177.57 178.47 2hw0 n LYS 66 N -3.58 0.87 -2.97 1.57 4.01 -1.26 -4.99 118.16 111.82 2hw0 n LYS 66 Ca -0.03 -2.18 -0.41 0.00 -0.51 0.00 0.00 58.31 55.18 2hw0 n LYS 66 Cb 0.10 1.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.58 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 -3.01 4.28 0.06 1.97 -0.14 -1.26 -4.26 119.74 117.37 2hw0 s LYS 67 Ca 0.09 0.88 0.03 0.00 -1.36 0.00 0.00 55.97 55.61 2hw0 s LYS 67 Cb 0.00 -3.57 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 2hw0 s LYS 67 CO 0.06 -0.28 -0.09 -0.65 -0.76 0.00 0.00 175.35 173.63 2hw0 s GLN 68 N 2.02 0.65 0.54 1.68 -0.21 -0.96 -4.89 119.66 118.48 2hw0 s GLN 68 Ca 0.35 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2hw0 s GLN 68 Cb -0.16 -0.37 0.04 0.00 1.00 0.00 0.00 33.01 33.51 2hw0 s GLN 68 CO 0.12 0.06 0.75 0.95 -2.12 0.00 0.00 175.29 175.05 2hw0 s THR 69 N -1.85 2.68 0.06 -0.19 -4.23 -1.26 -1.50 115.64 109.34 2hw0 s THR 69 Ca -0.04 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 2hw0 s THR 69 Cb -0.07 -2.96 -0.18 0.00 1.34 0.00 0.00 72.50 70.64 2hw0 s THR 69 CO -0.00 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.79 2hw0 h PHE 70 N 0.14 -0.67 -0.89 3.99 3.57 -1.98 0.30 116.94 121.40 2hw0 h PHE 70 Ca -0.41 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2hw0 h PHE 70 Cb 1.29 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 2hw0 h PHE 70 CO 0.35 -0.39 0.47 -0.91 -2.23 0.00 0.00 178.31 175.60 2hw0 h ASN 71 N -0.79 1.12 -0.04 0.41 2.35 -2.00 -2.72 115.58 113.91 2hw0 h ASN 71 Ca -0.07 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2hw0 h ASN 71 Cb 0.58 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2hw0 h ASN 71 CO 0.12 0.90 0.01 0.50 -1.65 0.00 0.00 177.43 177.31 2hw0 h LYS 72 N 1.24 0.06 -0.38 0.81 1.63 -1.92 -2.62 116.57 115.40 2hw0 h LYS 72 Ca 0.31 -0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.20 2hw0 h LYS 72 Cb 0.04 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2hw0 h LYS 72 CO -0.05 0.28 0.38 0.28 -3.45 0.00 0.00 179.45 176.89 2hw0 h VAL 73 N -0.16 0.44 0.00 2.00 2.07 -0.21 0.32 116.25 120.70 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 -3.82 0.07 0.28 1.57 5.02 -0.99 -1.62 118.16 118.68 2hw0 n LYS 74 Ca 0.06 0.47 0.18 0.00 -2.02 0.00 0.00 58.31 57.00 2hw0 n LYS 74 Cb 0.55 -1.69 0.73 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.04 115.95 122.64 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 0.00 -1.45 0.66 -1.28 0.00 0.00 178.44 176.37 2hw0 n TYR 76 N -3.08 0.00 -0.08 0.12 4.01 -0.64 -4.74 117.16 112.75 2hw0 n TYR 76 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 2hw0 n TYR 76 Cb 0.29 -0.33 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.88 0.00 7.72 3.38 -1.56 -3.48 115.31 121.91 2hw0 h LEU 77 Ca -0.23 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2hw0 h LEU 77 Cb 1.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2hw0 h LEU 77 CO -0.14 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.25 2hw0 n GLY 78 N 0.37 1.26 0.15 0.83 0.00 -0.03 -4.61 105.19 103.16 2hw0 n GLY 78 Ca -0.05 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.28 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 0.81 -0.95 4.61 0.00 -1.97 -3.20 119.26 118.56 2hw0 h ALA 79 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.61 2hw0 h ALA 79 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 2hw0 h ALA 79 CO 0.00 0.65 0.60 0.00 0.00 0.00 0.00 179.25 180.51 2hw0 h ARG 80 N 0.00 0.66 -5.54 0.00 3.08 -1.95 -3.39 114.38 107.23 2hw0 h ARG 80 Ca -0.01 -0.04 -0.65 0.00 0.07 0.00 0.00 59.98 59.36 2hw0 h ARG 80 Cb 1.17 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 30.98 2hw0 h ARG 80 CO 0.07 0.43 -0.50 0.00 -1.07 0.00 0.00 179.97 178.90 2hw0 s HIS 82 N -0.52 3.17 0.01 0.00 2.46 -0.71 -4.81 115.29 114.89 2hw0 s HIS 82 Ca 0.12 1.13 0.07 0.00 0.47 0.00 0.00 55.06 56.85 2hw0 s HIS 82 Cb -0.12 -3.49 -0.03 0.00 -0.13 0.00 0.00 32.58 28.82 2hw0 s HIS 82 CO 0.02 -1.62 -0.22 0.96 -2.47 0.00 0.00 174.74 171.41 2hw0 s ILE 83 N 1.94 2.44 0.16 0.89 -4.36 -1.26 -0.73 121.20 120.28 2hw0 s ILE 83 Ca 0.59 -1.14 -0.11 0.00 -0.26 0.00 0.00 60.65 59.72 2hw0 s ILE 83 Cb -0.28 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.49 2hw0 s ILE 83 CO 0.25 0.46 0.34 -1.61 0.24 0.00 0.00 174.94 174.62 2hw0 s GLU 84 N -1.02 1.18 0.11 0.37 2.02 -0.81 -4.97 118.70 115.58 2hw0 s GLU 84 Ca 0.12 -1.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 2hw0 s GLU 84 Cb -0.10 0.41 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 2hw0 s GLU 84 CO 0.02 -0.45 1.15 -1.59 0.02 0.00 0.00 175.26 174.40 2hw0 s LYS 85 N -3.93 4.50 0.17 1.61 -2.85 -1.26 -0.40 119.74 117.58 2hw0 s LYS 85 Ca 0.14 1.73 -0.29 0.00 -1.00 0.00 0.00 55.97 56.56 2hw0 s LYS 85 Cb 0.02 -3.32 -0.08 0.00 -2.06 0.00 0.00 37.83 32.40 2hw0 s LYS 85 CO -0.02 -0.11 0.90 0.00 0.10 0.00 0.00 175.35 176.22 2hw0 s ALA 86 N 0.49 3.34 -0.02 0.59 0.00 -1.26 -4.87 121.76 120.02 2hw0 s ALA 86 Ca 0.54 0.52 0.02 0.00 0.00 0.00 0.00 51.96 53.05 2hw0 s ALA 86 Cb -0.29 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2hw0 s ALA 86 CO 0.32 0.14 -0.05 -1.59 0.00 0.00 0.00 175.76 174.58 2hw0 s LYS 87 N -0.72 2.67 0.00 0.00 0.00 -1.26 -4.99 119.74 115.44 2hw0 s LYS 87 Ca 0.41 -0.64 0.00 0.00 0.00 0.00 0.00 55.97 55.75 2hw0 s LYS 87 Cb -0.24 -2.57 0.00 0.00 0.00 0.00 0.00 37.83 35.01 2hw0 s LYS 87 CO 0.29 0.63 0.00 0.41 0.00 0.00 0.00 175.35 176.68 2hw0 n GLY 88 N 1.74 -0.88 3.93 0.59 0.00 -1.26 -4.78 105.19 104.53 2hw0 n GLY 88 Ca -0.16 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.67 2.42 0.28 2.61 -4.23 -1.26 -4.87 115.64 109.91 2hw0 s THR 89 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2hw0 s THR 89 Cb 0.00 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2hw0 s THR 89 CO 0.00 -0.04 1.84 0.44 -0.54 0.00 0.00 174.62 176.32 2hw0 h ASP 90 N -0.52 0.93 -0.10 3.99 3.32 -1.97 -0.48 116.42 121.58 2hw0 h ASP 90 Ca -0.44 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 2hw0 h ASP 90 Cb 1.31 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2hw0 h ASP 90 CO 0.60 0.51 -0.31 -0.61 -1.72 0.00 0.00 179.24 177.70 2hw0 h GLN 91 N 1.01 0.59 -0.42 3.56 5.75 -1.94 -2.56 115.11 121.10 2hw0 h GLN 91 Ca 0.49 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.64 2hw0 h GLN 91 Cb 0.44 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2hw0 h GLN 91 CO -0.25 0.83 -0.11 1.96 -2.65 0.00 0.00 178.83 178.60 2hw0 h GLN 92 N 0.50 0.76 -0.37 1.69 4.20 -1.49 -2.15 115.11 118.25 2hw0 h GLN 92 Ca 0.06 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 2hw0 h GLN 92 Cb 0.79 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2hw0 h GLN 92 CO 0.06 0.84 -0.12 -0.91 -0.67 0.00 0.00 178.83 178.04 2hw0 h ASN 93 N 0.69 0.74 -0.25 1.46 -0.26 -1.08 0.15 115.58 117.02 2hw0 h ASN 93 Ca 0.12 -0.38 -0.01 0.00 -0.56 0.00 0.00 56.30 55.47 2hw0 h ASN 93 Cb 0.59 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 2hw0 h ASN 93 CO 0.04 0.95 0.13 0.50 -1.06 0.00 0.00 177.43 177.99 2hw0 h LYS 94 N 0.52 0.35 -0.19 0.81 3.64 -1.33 -2.32 116.57 118.06 2hw0 h LYS 94 Ca 0.09 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2hw0 h LYS 94 Cb 0.64 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2hw0 h LYS 94 CO 0.04 0.33 -0.50 0.93 -2.27 0.00 0.00 179.45 177.98 2hw0 h GLU 95 N 0.28 0.50 -0.36 1.90 4.39 -1.37 -2.70 114.58 117.23 2hw0 h GLU 95 Ca 0.09 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.54 2hw0 h GLU 95 Cb 0.08 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2hw0 h GLU 95 CO -0.01 0.89 0.10 -0.92 -1.16 0.00 0.00 179.01 177.91 2hw0 h TYR 96 N 0.40 0.18 -0.24 4.33 5.03 -0.45 0.27 116.97 126.48 2hw0 h TYR 96 Ca 0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 2hw0 h TYR 96 Cb 1.01 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 2hw0 h TYR 96 CO 0.04 0.06 -0.32 0.00 -1.32 0.00 0.00 178.16 176.62 2hw0 n SER 98 N -4.08 0.42 0.32 0.00 3.41 -0.77 -3.23 113.62 109.69 2hw0 n SER 98 Ca -0.01 0.56 0.20 0.00 -0.26 0.00 0.00 58.87 59.36 2hw0 n SER 98 Cb 0.45 -0.66 1.06 0.00 -0.26 0.00 0.00 64.21 64.80 2hw0 n SER 98 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2hw0 h LYS 99 N 0.00 0.00 0.00 4.33 3.64 0.01 0.17 116.57 124.72 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 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 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 5.08 -1.73 -3.46 114.58 116.37 2hw0 h GLU 100 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hw0 h GLU 100 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hw0 h GLU 100 CO -0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 2hw0 n GLY 101 N 0.27 1.57 2.98 -3.84 0.00 0.59 -4.95 105.19 101.81 2hw0 n GLY 101 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.28 2.16 -0.18 1.61 -0.87 -1.26 -5.13 114.94 107.99 2hw0 s ASN 102 Ca 0.00 -0.34 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 2hw0 s ASN 102 Cb 0.00 -0.92 -0.05 0.00 -0.02 0.00 0.00 41.25 40.26 2hw0 s ASN 102 CO 0.00 -0.04 0.12 -0.76 -2.57 0.00 0.00 177.10 173.85 2hw0 s LEU 103 N 1.24 4.18 -0.16 0.60 2.01 -1.26 -3.01 118.68 122.29 2hw0 s LEU 103 Ca -0.03 0.26 0.05 0.00 0.01 0.00 0.00 54.13 54.42 2hw0 s LEU 103 Cb -0.14 -2.07 -0.14 0.00 0.01 0.00 0.00 46.19 43.86 2hw0 s LEU 103 CO -0.04 0.23 -0.08 -0.11 1.01 0.00 0.00 176.35 177.36 2hw0 n LEU 104 N 3.20 1.89 -3.74 1.79 -0.00 -0.84 -4.73 117.00 114.58 2hw0 n LEU 104 Ca -0.17 -0.06 -0.12 0.00 -0.00 0.00 0.00 56.01 55.66 2hw0 n LEU 104 Cb 0.53 -0.27 -0.11 0.00 -0.00 0.00 0.00 43.42 43.57 2hw0 n LEU 104 CO 0.35 0.63 0.01 -0.32 -0.00 0.00 0.00 177.39 178.06 2hw0 s MET 105 N -2.34 0.38 -0.25 1.96 0.00 -0.93 -4.97 119.30 113.14 2hw0 s MET 105 Ca -0.17 0.56 -0.02 0.00 0.00 0.00 0.00 55.69 56.06 2hw0 s MET 105 Cb 0.05 0.10 0.08 0.00 0.00 0.00 0.00 34.83 35.06 2hw0 s MET 105 CO 0.46 -0.09 0.05 -2.00 0.00 0.00 0.00 175.02 173.45 2hw0 s GLU 106 N 0.61 0.76 0.34 4.11 2.12 -1.26 -1.78 118.70 123.61 2hw0 s GLU 106 Ca -0.03 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 2hw0 s GLU 106 Cb -0.05 -2.07 0.01 0.00 0.26 0.00 0.00 34.13 32.28 2hw0 s GLU 106 CO -0.04 -0.79 0.55 0.00 -0.54 0.00 0.00 175.26 174.44 2hw0 n GLY 108 N -0.54 -1.73 3.66 0.00 0.00 -1.26 -2.42 105.19 102.90 2hw0 n GLY 108 Ca -0.02 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.72 3.20 -0.15 4.61 0.00 0.77 -4.77 121.76 123.69 2hw0 s ALA 109 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.05 2hw0 s ALA 109 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 2hw0 s ALA 109 CO 0.00 0.28 1.57 -1.25 0.00 0.00 0.00 175.76 176.36 2hw0 s PRO 110 N -3.63 4.00 0.64 0.00 0.04 -1.26 -4.29 135.00 130.51 2hw0 s PRO 110 Ca 0.31 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2hw0 s PRO 110 Cb -0.07 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 2hw0 s PRO 110 CO 0.20 -1.04 1.10 1.03 0.04 0.00 0.00 177.00 178.34 2hw0 s ARG 111 N 4.25 2.92 0.35 4.56 1.81 -1.26 -5.06 118.95 126.53 2hw0 s ARG 111 Ca 0.69 1.38 -0.01 0.00 -1.72 0.00 0.00 55.73 56.08 2hw0 s ARG 111 Cb -0.27 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.26 2hw0 s ARG 111 CO 0.27 -1.15 0.47 -1.54 -0.68 0.00 0.00 175.30 172.66 2hw0 s SER 112 N -2.54 1.07 0.27 0.23 1.04 -1.26 -4.64 113.70 107.87 2hw0 s SER 112 Ca 0.67 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2hw0 s SER 112 Cb -0.20 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2hw0 s SER 112 CO 0.40 -1.30 0.00 1.67 0.98 0.00 0.00 173.24 174.99 2hw0 n GLN 113 N -0.59 0.00 0.00 4.02 7.27 -1.26 -5.06 117.38 121.76 2hw0 n GLN 113 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2hw0 n GLN 113 Cb 0.61 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.26 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 1.11 3.58 2.92 1.69 0.00 -1.26 -5.08 105.19 108.15 2hw0 n GLY 114 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.31 1.51 0.00 1.61 -0.21 -1.26 -5.28 119.66 113.72 2hw0 s GLN 115 Ca 0.00 -1.05 0.21 0.00 0.02 0.00 0.00 55.36 54.53 2hw0 s GLN 115 Cb 0.00 -2.58 0.16 0.00 1.00 0.00 0.00 33.01 31.60 2hw0 s GLN 115 CO 0.00 -0.66 1.15 2.89 -2.12 0.00 0.00 175.29 176.55