#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 0.31 0.48 3.54 0.15 -1.26 -5.11 113.70 111.81 2hw0 s SER 3 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2hw0 s SER 3 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2hw0 s SER 3 CO 0.00 -0.44 0.00 1.17 1.20 0.00 0.00 173.24 175.17 2hw0 n LYS 4 N 0.92 -2.78 -4.48 5.44 3.00 -1.26 -4.99 118.16 114.01 2hw0 n LYS 4 Ca -0.20 2.17 -0.23 0.00 -0.00 0.00 0.00 58.31 60.05 2hw0 n LYS 4 Cb 0.58 -3.28 -0.10 0.00 0.00 0.00 0.00 35.03 32.22 2hw0 n LYS 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2hw0 s LYS 5 N -3.57 1.67 0.03 1.64 -2.85 -1.26 -5.16 119.74 110.25 2hw0 s LYS 5 Ca 0.00 -1.85 -0.01 0.00 -1.00 0.00 0.00 55.97 53.11 2hw0 s LYS 5 Cb 0.00 -1.43 0.00 0.00 -2.06 0.00 0.00 37.83 34.34 2hw0 s LYS 5 CO 0.00 0.10 0.05 0.27 0.10 0.00 0.00 175.35 175.88 2hw0 n ASN 6 N -0.67 -0.16 -4.32 0.03 0.23 -1.26 -5.19 115.26 103.92 2hw0 n ASN 6 Ca -0.05 -1.14 -0.17 0.00 -0.53 0.00 0.00 54.58 52.69 2hw0 n ASN 6 Cb 0.63 0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 38.50 2hw0 n ASN 6 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2hw0 s GLY 7 N -1.17 1.53 0.10 4.83 0.00 -1.26 -5.17 107.32 106.18 2hw0 s GLY 7 Ca 0.02 -1.76 0.04 0.00 0.00 0.00 0.00 44.72 43.02 2hw0 s GLY 7 CO 0.01 -1.65 -0.11 -1.60 0.00 0.00 0.00 173.10 169.76 2hw0 s ARG 8 N -3.87 0.87 0.13 2.90 3.00 -1.26 -5.02 118.95 115.70 2hw0 s ARG 8 Ca 0.28 -1.17 0.00 0.00 -1.00 0.00 0.00 55.73 53.85 2hw0 s ARG 8 Cb 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 34.95 34.43 2hw0 s ARG 8 CO 0.08 0.09 0.00 0.45 0.00 0.00 0.00 175.30 175.93 2hw0 n SER 9 N 0.55 -1.14 0.00 -2.12 2.88 -1.26 -5.10 113.62 107.43 2hw0 n SER 9 Ca -0.16 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2hw0 n SER 9 Cb 0.58 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 65.39 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hw0 n GLY 10 N -1.16 0.82 3.69 0.46 0.00 -1.26 -5.11 105.19 102.64 2hw0 n GLY 10 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.28 0.21 1.61 0.04 -1.26 -5.03 135.00 134.85 2hw0 s PRO 11 Ca 0.00 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2hw0 s PRO 11 Cb 0.00 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2hw0 s PRO 11 CO 0.00 -0.56 -0.18 1.14 0.04 0.00 0.00 177.00 177.43 2hw0 s GLN 12 N 2.19 1.42 0.34 4.56 0.00 -1.26 -5.09 119.66 121.81 2hw0 s GLN 12 Ca 0.65 -1.56 -0.28 0.00 -0.00 0.00 0.00 55.36 54.17 2hw0 s GLN 12 Cb -0.33 -1.45 -0.10 0.00 0.00 0.00 0.00 33.01 31.13 2hw0 s GLN 12 CO 0.28 0.28 1.22 -1.25 0.00 0.00 0.00 175.29 175.82 2hw0 s PRO 13 N -3.18 4.35 0.45 9.60 0.04 -1.26 -4.91 135.00 140.10 2hw0 s PRO 13 Ca 0.22 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2hw0 s PRO 13 Cb -0.05 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 2hw0 s PRO 13 CO 0.09 -0.12 0.07 -1.01 0.04 0.00 0.00 177.00 176.07 2hw0 s HIS 14 N -1.21 1.83 -0.41 0.56 3.76 -0.61 -4.63 115.29 114.59 2hw0 s HIS 14 Ca 0.50 -1.13 0.15 0.00 -0.15 0.00 0.00 55.06 54.43 2hw0 s HIS 14 Cb -0.36 -1.36 0.69 0.00 1.11 0.00 0.00 32.58 32.66 2hw0 s HIS 14 CO 0.46 -0.06 1.61 0.36 -0.85 0.00 0.00 174.74 176.26 2hw0 n LYS 15 N -1.07 4.00 -3.73 1.40 0.00 -1.26 -2.30 118.16 115.21 2hw0 n LYS 15 Ca -0.12 -2.97 -0.16 0.00 -0.00 0.00 0.00 58.31 55.06 2hw0 n LYS 15 Cb 0.66 -2.03 -0.16 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 -2.55 -0.03 -0.16 -1.58 0.52 -1.26 0.03 118.95 113.93 2hw0 s ARG 16 Ca 0.49 0.30 -0.12 0.00 -0.52 0.00 0.00 55.73 55.88 2hw0 s ARG 16 Cb 0.37 -0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.56 2hw0 s ARG 16 CO 0.15 -0.23 0.40 -1.58 0.02 0.00 0.00 175.30 174.06 2hw0 s TRP 17 N 1.51 -0.50 0.28 -0.53 0.52 -0.98 -4.21 118.94 115.03 2hw0 s TRP 17 Ca -0.04 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.30 2hw0 s TRP 17 Cb -0.12 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.04 -0.26 0.16 0.14 0.02 0.00 0.00 176.95 176.97 2hw0 s VAL 18 N 0.71 3.96 0.02 4.03 -7.23 0.64 -2.10 120.40 120.43 2hw0 s VAL 18 Ca -0.04 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2hw0 s VAL 18 Cb -0.05 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 2hw0 s VAL 18 CO -0.05 -0.31 -0.07 0.72 -0.31 0.00 0.00 175.10 175.08 2hw0 s PHE 19 N -2.23 0.61 -0.14 2.82 -0.71 -0.83 -1.42 117.98 116.08 2hw0 s PHE 19 Ca 0.34 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 55.85 2hw0 s PHE 19 Cb -0.07 -0.38 0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2hw0 s PHE 19 CO 0.24 -0.04 0.32 0.95 -1.34 0.00 0.00 175.22 175.35 2hw0 s THR 20 N -0.80 -0.09 -0.03 -4.49 -4.23 0.99 -2.51 115.64 104.48 2hw0 s THR 20 Ca -0.04 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.31 2hw0 s THR 20 CO 0.00 0.06 0.01 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.47 1.02 0.01 4.79 2.96 -0.95 -1.32 118.68 126.66 2hw0 s LEU 21 Ca -0.08 -0.00 -0.30 0.00 -0.22 0.00 0.00 54.13 53.52 2hw0 s LEU 21 Cb -0.10 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 2hw0 s LEU 21 CO -0.10 -0.13 1.07 0.54 -1.32 0.00 0.00 176.35 176.41 2hw0 s ASN 22 N 1.19 7.24 -0.90 3.68 2.20 -1.26 -0.98 114.94 126.11 2hw0 s ASN 22 Ca -0.07 1.79 -0.07 0.00 -0.94 0.00 0.00 52.86 53.57 2hw0 s ASN 22 Cb -0.13 -2.57 -0.01 0.00 -2.00 0.00 0.00 41.25 36.54 2hw0 s ASN 22 CO -0.02 -0.36 0.71 -3.20 -2.94 0.00 0.00 177.10 171.28 2hw0 n ASN 23 N 4.04 -6.16 -4.77 3.54 4.05 0.88 -4.93 115.26 111.92 2hw0 n ASN 23 Ca 0.07 -0.65 -0.36 0.00 0.45 0.00 0.00 54.58 54.10 2hw0 n ASN 23 Cb 0.49 -3.67 -0.00 0.00 1.23 0.00 0.00 39.78 37.82 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 -4.53 3.46 0.42 1.20 0.04 -1.26 -5.03 135.00 129.30 2hw0 s PRO 24 Ca 0.17 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 2hw0 s PRO 24 Cb -0.05 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2hw0 s PRO 24 CO 0.83 -0.77 0.65 -1.12 0.04 0.00 0.00 177.00 176.63 2hw0 s SER 25 N -1.67 6.10 0.46 6.66 0.01 -1.26 -4.89 113.70 119.10 2hw0 s SER 25 Ca 0.70 0.50 0.16 0.00 1.31 0.00 0.00 55.95 58.63 2hw0 s SER 25 Cb -0.25 -1.89 1.06 0.00 0.21 0.00 0.00 66.02 65.15 2hw0 s SER 25 CO 0.29 -0.53 2.00 -0.33 0.41 0.00 0.00 173.24 175.08 2hw0 h GLU 26 N 0.48 0.00 -0.01 12.44 5.08 -1.97 0.27 114.58 130.87 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2hw0 h GLU 26 CO 0.60 0.17 -0.08 0.22 -1.00 0.00 0.00 179.01 178.93 2hw0 h ASP 27 N 0.00 0.09 -0.14 1.42 1.82 -1.98 -2.09 116.42 115.54 2hw0 h ASP 27 Ca -0.00 -0.70 -0.05 0.00 -0.39 0.00 0.00 57.03 55.89 2hw0 h ASP 27 Cb 0.32 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 2hw0 h ASP 27 CO 0.02 0.77 -0.10 -0.08 -1.61 0.00 0.00 179.24 178.24 2hw0 h GLU 28 N -0.60 0.31 -0.71 0.28 4.57 -1.91 -2.10 114.58 114.43 2hw0 h GLU 28 Ca -0.01 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2hw0 h GLU 28 Cb 0.78 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 2hw0 h GLU 28 CO 0.02 0.68 0.47 -0.09 -1.18 0.00 0.00 179.01 178.90 2hw0 h ARG 29 N -0.05 0.92 -0.20 1.92 2.43 -0.58 -1.87 114.38 116.96 2hw0 h ARG 29 Ca 0.03 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 2hw0 h ARG 29 Cb 0.61 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2hw0 h ARG 29 CO 0.03 0.61 -0.46 -0.22 -1.51 0.00 0.00 179.97 178.42 2hw0 h LYS 30 N 0.95 0.50 0.20 0.20 3.64 -1.31 -2.18 116.57 118.57 2hw0 h LYS 30 Ca 0.26 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2hw0 h LYS 30 Cb -0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2hw0 h LYS 30 CO -0.06 0.86 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.67 2hw0 h LYS 31 N 0.40 -0.26 -0.63 1.90 3.11 -0.63 0.33 116.57 120.79 2hw0 h LYS 31 Ca 0.03 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 2hw0 h LYS 31 Cb 0.96 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 2hw0 h LYS 31 CO 0.09 -0.13 0.25 0.82 -2.81 0.00 0.00 179.45 177.66 2hw0 h ILE 32 N -0.31 1.23 0.00 2.00 2.04 -1.47 -1.66 117.51 119.35 2hw0 h ILE 32 Ca -0.03 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2hw0 h ILE 32 Cb 0.24 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2hw0 h ILE 32 CO 0.04 0.29 -0.06 -0.09 0.00 0.00 0.00 178.15 178.33 2hw0 h ARG 33 N 0.88 0.00 -0.62 2.37 2.43 -1.24 -2.35 114.38 115.85 2hw0 h ARG 33 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2hw0 h ARG 33 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2hw0 h ARG 33 CO -0.02 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.03 2hw0 n ASP 34 N -3.18 3.54 -4.72 -3.80 2.03 0.11 -4.98 116.55 105.55 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 2hw0 n ASP 34 Cb 0.34 -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 -1.10 2.85 -0.13 -2.67 1.43 -0.69 -4.93 118.68 113.44 2hw0 s LEU 35 Ca 0.44 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2hw0 s LEU 35 Cb 0.23 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2hw0 s LEU 35 CO 0.31 -2.57 1.55 -2.16 0.23 0.00 0.00 176.35 173.71 2hw0 s PRO 36 N -4.79 4.07 0.26 1.29 0.04 -1.26 -4.90 135.00 129.71 2hw0 s PRO 36 Ca 0.64 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 36 Cb -0.20 -3.95 0.34 0.00 0.04 0.00 0.00 34.50 30.74 2hw0 s PRO 36 CO 0.57 -0.95 1.66 -0.84 0.04 0.00 0.00 177.00 177.48 2hw0 h ILE 37 N 5.73 1.29 0.00 0.56 3.07 -1.92 -2.62 117.51 123.64 2hw0 h ILE 37 Ca -0.34 -1.47 -0.01 0.00 1.55 0.00 0.00 64.86 64.58 2hw0 h ILE 37 Cb 1.15 1.54 -0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2hw0 h ILE 37 CO 0.97 0.46 -0.05 0.28 -1.05 0.00 0.00 178.15 178.76 2hw0 h SER 38 N 0.37 0.00 0.73 2.16 0.02 -1.99 -2.14 113.55 112.70 2hw0 h SER 38 Ca 0.04 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2hw0 h SER 38 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2hw0 h SER 38 CO 0.07 0.05 -0.60 0.25 -1.14 0.00 0.00 176.83 175.46 2hw0 h LEU 39 N 0.00 0.00 -7.81 5.07 6.46 -1.87 -3.42 115.31 113.75 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 0.35 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.92 2hw0 h LEU 39 CO 0.01 0.60 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.25 2hw0 s PHE 40 N -3.50 2.33 0.57 1.25 0.40 -0.80 -2.49 117.98 115.72 2hw0 s PHE 40 Ca -0.01 -1.48 0.29 0.00 -0.60 0.00 0.00 56.93 55.13 2hw0 s PHE 40 Cb 0.12 -1.62 1.47 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.75 -0.72 1.92 0.22 0.70 0.00 0.00 175.22 178.09 2hw0 h ASP 41 N 8.00 0.00 -3.34 1.36 1.82 -1.63 -3.38 116.42 119.24 2hw0 h ASP 41 Ca -0.30 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.03 2hw0 h ASP 41 Cb 1.11 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.76 2hw0 h ASP 41 CO 0.49 0.00 -0.69 -0.47 -1.61 0.00 0.00 179.24 176.96 2hw0 s TYR 42 N -4.78 -0.04 -0.14 0.28 5.04 -1.25 -0.25 117.35 116.22 2hw0 s TYR 42 Ca -0.05 0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.91 2hw0 s TYR 42 Cb 0.18 -0.30 0.04 0.00 0.35 0.00 0.00 41.96 42.23 2hw0 s TYR 42 CO 0.64 -0.18 -0.00 0.12 -1.34 0.00 0.00 175.55 174.79 2hw0 s PHE 43 N 1.73 1.05 -0.09 4.97 2.19 -1.01 -0.04 117.98 126.79 2hw0 s PHE 43 Ca -0.02 -0.64 -0.02 0.00 0.33 0.00 0.00 56.93 56.58 2hw0 s PHE 43 Cb -0.12 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.61 2hw0 s PHE 43 CO -0.04 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.85 0.22 -0.02 3.12 2.07 -0.38 -1.48 121.20 126.57 2hw0 s ILE 44 Ca 0.02 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 2hw0 s ILE 44 CO -0.07 0.13 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.15 2hw0 s VAL 45 N 2.03 1.96 -0.01 4.00 1.01 -0.30 0.03 120.40 129.12 2hw0 s VAL 45 Ca 0.04 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2hw0 s VAL 45 Cb -0.13 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2hw0 s VAL 45 CO -0.05 0.55 -0.08 -0.83 0.00 0.00 0.00 175.10 174.69 2hw0 s GLY 46 N -0.53 0.38 -0.09 4.51 0.00 -0.56 -0.44 107.32 110.60 2hw0 s GLY 46 Ca 0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 2hw0 s GLY 46 CO -0.00 -0.24 0.39 1.85 0.00 0.00 0.00 173.10 175.10 2hw0 s GLU 47 N -0.12 4.13 -0.27 2.90 2.12 0.86 -2.29 118.70 126.03 2hw0 s GLU 47 Ca 0.02 0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.70 2hw0 s GLU 47 Cb -0.04 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 31.08 2hw0 s GLU 47 CO -0.00 0.40 -0.05 -2.00 -0.54 0.00 0.00 175.26 173.07 2hw0 s GLU 48 N -0.10 1.81 0.00 4.30 -6.30 0.05 -3.83 118.70 114.63 2hw0 s GLU 48 Ca 0.22 -1.36 0.00 0.00 -2.50 0.00 0.00 54.97 51.33 2hw0 s GLU 48 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 34.13 31.15 2hw0 s GLU 48 CO 0.10 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.10 2hw0 n GLY 49 N 4.48 -1.95 0.91 -1.50 0.00 -1.26 -0.10 105.19 105.77 2hw0 n GLY 49 Ca -0.09 0.91 -0.01 0.00 0.00 0.00 0.00 46.02 46.84 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 2.41 -3.92 1.61 4.05 -1.26 -4.82 115.26 113.33 2hw0 n ASN 50 Ca 0.00 -3.87 -0.29 0.00 0.45 0.00 0.00 54.58 50.87 2hw0 n ASN 50 Cb 0.00 -0.49 -0.16 0.00 1.23 0.00 0.00 39.78 40.36 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 -3.31 1.59 0.58 1.20 2.12 -1.26 -5.12 118.70 114.50 2hw0 s GLU 51 Ca 0.41 -0.60 -0.20 0.00 0.36 0.00 0.00 54.97 54.94 2hw0 s GLU 51 Cb 0.38 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 2hw0 s GLU 51 CO -0.05 -0.43 1.14 -1.91 -0.54 0.00 0.00 175.26 173.47 2hw0 n GLU 52 N 4.82 1.19 0.00 4.30 2.13 -1.26 -2.49 120.64 129.34 2hw0 n GLU 52 Ca -0.13 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2hw0 n GLU 52 Cb 0.47 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 1.07 3.27 3.43 8.31 0.00 -1.26 -5.02 105.19 114.98 2hw0 n GLY 53 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 1.61 0.59 1.61 3.52 -1.04 -5.14 118.95 119.53 2hw0 s ARG 54 Ca 0.00 -1.25 -0.11 0.00 -0.13 0.00 0.00 55.73 54.24 2hw0 s ARG 54 Cb 0.00 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.34 2hw0 s ARG 54 CO 0.00 0.47 0.99 0.95 -0.81 0.00 0.00 175.30 176.91 2hw0 s THR 55 N -1.07 4.71 0.86 4.11 -4.23 -1.26 -4.79 115.64 113.97 2hw0 s THR 55 Ca 0.15 0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 61.40 2hw0 s THR 55 Cb -0.10 -3.85 0.11 0.00 1.34 0.00 0.00 72.50 70.00 2hw0 s THR 55 CO 0.07 -1.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.04 2hw0 s PRO 56 N -4.97 1.57 -0.00 3.99 0.04 -1.26 -4.80 135.00 129.57 2hw0 s PRO 56 Ca 0.55 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2hw0 s PRO 56 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2hw0 s PRO 56 CO 0.50 -2.05 0.01 -1.58 0.04 0.00 0.00 177.00 173.91 2hw0 s HIS 57 N -2.92 -0.00 -0.11 0.56 2.46 0.85 -0.08 115.29 116.05 2hw0 s HIS 57 Ca 0.63 0.03 -0.13 0.00 0.47 0.00 0.00 55.06 56.06 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 0.57 -0.01 0.30 -0.51 -2.47 0.00 0.00 174.74 172.61 2hw0 s LEU 58 N 0.12 4.34 -0.26 8.88 1.43 -0.15 -0.77 118.68 132.26 2hw0 s LEU 58 Ca -0.01 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.69 2hw0 s LEU 58 Cb -0.01 -2.37 0.15 0.00 0.03 0.00 0.00 46.19 43.98 2hw0 s LEU 58 CO -0.00 0.23 0.46 -1.58 0.23 0.00 0.00 176.35 175.68 2hw0 s GLN 59 N -0.27 0.42 0.17 1.70 2.00 -0.97 -2.24 119.66 120.46 2hw0 s GLN 59 Ca 0.18 0.76 -0.11 0.00 -2.00 0.00 0.00 55.36 54.20 2hw0 s GLN 59 Cb -0.14 -0.04 0.00 0.00 0.80 0.00 0.00 33.01 33.64 2hw0 s GLN 59 CO 0.07 -0.58 0.33 0.20 -0.50 0.00 0.00 175.29 174.81 2hw0 s GLY 60 N 2.66 0.33 -0.01 2.59 0.00 -1.04 -1.49 107.32 110.35 2hw0 s GLY 60 Ca 0.13 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.19 2hw0 s GLY 60 CO -0.17 -0.70 -0.22 -0.12 0.00 0.00 0.00 173.10 171.89 2hw0 s PHE 61 N -3.94 1.94 -0.05 1.90 5.36 0.11 -1.96 117.98 121.33 2hw0 s PHE 61 Ca 0.15 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2hw0 s PHE 61 Cb 0.02 -1.24 0.02 0.00 -0.34 0.00 0.00 43.02 41.49 2hw0 s PHE 61 CO -0.01 -0.02 -0.02 0.00 -1.46 0.00 0.00 175.22 173.71 2hw0 s ALA 62 N -0.53 0.63 -0.37 11.12 0.00 -0.89 -1.25 121.76 130.46 2hw0 s ALA 62 Ca 0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 2hw0 s ALA 62 Cb -0.08 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2hw0 s ALA 62 CO -0.01 -0.20 0.61 1.21 0.00 0.00 0.00 175.76 177.37 2hw0 s ASN 63 N 1.34 6.38 0.02 0.00 3.84 0.95 -2.33 114.94 125.14 2hw0 s ASN 63 Ca -0.05 -0.01 -0.30 0.00 0.21 0.00 0.00 52.86 52.71 2hw0 s ASN 63 Cb -0.13 -2.31 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.61 1.39 -0.36 -2.79 0.00 0.00 177.10 174.71 2hw0 s PHE 64 N 2.65 2.95 0.61 0.43 0.08 0.10 -2.27 117.98 122.54 2hw0 s PHE 64 Ca 0.23 0.86 0.39 0.00 0.12 0.00 0.00 56.93 58.53 2hw0 s PHE 64 Cb -0.15 -3.65 2.16 0.00 -0.57 0.00 0.00 43.02 40.81 2hw0 s PHE 64 CO 0.15 -2.38 2.31 0.28 -0.10 0.00 0.00 175.22 175.49 2hw0 h VAL 65 N 4.78 0.21 -4.34 -0.44 2.07 -1.76 -3.42 116.25 113.35 2hw0 h VAL 65 Ca -0.39 -0.04 -0.37 0.00 0.82 0.00 0.00 66.70 66.72 2hw0 h VAL 65 Cb 1.19 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 2hw0 h VAL 65 CO 0.89 0.01 -0.29 0.29 0.02 0.00 0.00 177.57 178.48 2hw0 n LYS 66 N -3.37 0.89 -3.11 1.57 4.01 -1.26 -5.01 118.16 111.89 2hw0 n LYS 66 Ca -0.03 -2.20 -0.40 0.00 -0.51 0.00 0.00 58.31 55.17 2hw0 n LYS 66 Cb 0.09 0.98 -0.06 0.00 -0.51 0.00 0.00 35.03 35.53 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 -3.03 4.18 0.07 1.97 3.01 -1.26 -4.26 119.74 120.42 2hw0 s LYS 67 Ca 0.08 0.61 0.03 0.00 -1.01 0.00 0.00 55.97 55.68 2hw0 s LYS 67 Cb 0.00 -3.60 -0.03 0.00 -1.01 0.00 0.00 37.83 33.19 2hw0 s LYS 67 CO 0.06 -0.30 -0.09 -0.65 0.51 0.00 0.00 175.35 174.88 2hw0 s GLN 68 N 2.11 0.68 0.57 1.68 -1.52 -0.97 -4.89 119.66 117.32 2hw0 s GLN 68 Ca 0.28 -0.94 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 2hw0 s GLN 68 Cb -0.16 -0.43 0.04 0.00 -0.22 0.00 0.00 33.01 32.24 2hw0 s GLN 68 CO 0.10 0.07 0.81 0.95 -0.25 0.00 0.00 175.29 176.97 2hw0 s THR 69 N -1.84 2.61 0.08 -0.19 -4.23 -1.26 -1.57 115.64 109.24 2hw0 s THR 69 Ca -0.03 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.56 2hw0 s THR 69 Cb -0.07 -2.99 -0.17 0.00 1.34 0.00 0.00 72.50 70.61 2hw0 s THR 69 CO 0.00 0.00 1.65 0.15 -0.54 0.00 0.00 174.62 175.89 2hw0 h PHE 70 N -0.01 -0.63 -0.34 3.99 3.57 -1.98 0.36 116.94 121.89 2hw0 h PHE 70 Ca -0.42 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 2hw0 h PHE 70 Cb 1.30 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 2hw0 h PHE 70 CO 0.35 -0.39 -0.13 -0.97 -2.23 0.00 0.00 178.31 174.95 2hw0 h ASN 71 N -0.65 0.58 -0.44 0.41 -0.73 -2.00 -2.76 115.58 109.99 2hw0 h ASN 71 Ca -0.06 -0.16 -0.09 0.00 1.87 0.00 0.00 56.30 57.86 2hw0 h ASN 71 Cb 0.51 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 2hw0 h ASN 71 CO 0.09 0.74 -0.07 0.50 -0.37 0.00 0.00 177.43 178.31 2hw0 h LYS 72 N 0.54 0.82 0.00 6.67 1.63 -1.89 -2.70 116.57 121.64 2hw0 h LYS 72 Ca 0.10 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 2hw0 h LYS 72 Cb 0.54 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2hw0 h LYS 72 CO 0.03 0.92 -0.09 0.28 -3.45 0.00 0.00 179.45 177.15 2hw0 h VAL 73 N 0.65 0.52 0.00 2.00 2.07 -0.10 -1.56 116.25 119.83 2hw0 h VAL 73 Ca 0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2hw0 h VAL 73 Cb 0.60 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2hw0 h VAL 73 CO 0.04 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.00 2hw0 n LYS 74 N -3.64 0.08 0.28 1.57 4.76 -1.02 -1.67 118.16 118.52 2hw0 n LYS 74 Ca -0.02 0.47 0.18 0.00 -2.87 0.00 0.00 58.31 56.07 2hw0 n LYS 74 Cb 0.20 -1.70 0.76 0.00 -1.84 0.00 0.00 35.03 32.46 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -1.40 0.46 115.95 122.22 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 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2hw0 h TRP 75 CO 0.00 0.00 -1.40 0.66 -1.28 0.00 0.00 178.44 176.42 2hw0 n TYR 76 N -3.03 0.00 0.55 0.12 4.01 -0.67 -4.62 117.16 113.53 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 0.26 -0.31 0.41 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.94 7.72 4.77 -0.98 -4.95 117.00 119.41 2hw0 n LEU 77 Ca -0.17 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2hw0 n LEU 77 Cb 0.58 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2hw0 n LEU 77 CO 0.02 -0.29 -0.37 0.61 -1.33 0.00 0.00 177.39 176.02 2hw0 n GLY 78 N 0.31 -3.31 0.14 -0.72 0.00 0.15 -4.13 105.19 97.63 2hw0 n GLY 78 Ca 0.04 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.50 0.79 -0.88 4.61 0.00 -1.95 -3.23 119.26 118.10 2hw0 h ALA 79 Ca -0.08 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.43 2hw0 h ALA 79 Cb 0.77 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2hw0 h ALA 79 CO 0.03 0.74 0.49 0.00 0.00 0.00 0.00 179.25 180.50 2hw0 h ARG 80 N 0.00 0.70 -5.61 0.00 2.47 -1.95 -3.39 114.38 106.61 2hw0 h ARG 80 Ca -0.01 -0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 58.09 2hw0 h ARG 80 Cb 1.22 -0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 29.29 2hw0 h ARG 80 CO 0.08 0.47 -0.22 0.00 0.56 0.00 0.00 179.97 180.85 2hw0 s HIS 82 N 0.62 3.15 0.10 0.00 2.46 -0.43 -4.79 115.29 116.39 2hw0 s HIS 82 Ca 0.22 1.10 0.07 0.00 0.47 0.00 0.00 55.06 56.91 2hw0 s HIS 82 Cb -0.14 -3.51 -0.04 0.00 -0.13 0.00 0.00 32.58 28.76 2hw0 s HIS 82 CO 0.07 -1.72 -0.10 0.96 -2.47 0.00 0.00 174.74 171.49 2hw0 s ILE 83 N 1.94 3.37 0.16 0.89 -4.36 -1.26 -0.00 121.20 121.94 2hw0 s ILE 83 Ca 0.59 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.63 2hw0 s ILE 83 Cb -0.29 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2hw0 s ILE 83 CO 0.26 0.12 0.32 -1.61 0.24 0.00 0.00 174.94 174.27 2hw0 s GLU 84 N -2.17 1.15 0.08 0.37 2.02 -0.51 -4.97 118.70 114.67 2hw0 s GLU 84 Ca 0.21 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.47 2hw0 s GLU 84 CO 0.13 -0.43 1.02 -1.59 0.02 0.00 0.00 175.26 174.41 2hw0 s LYS 85 N -3.93 4.60 0.45 1.61 -2.85 -1.26 -0.26 119.74 118.10 2hw0 s LYS 85 Ca 0.13 1.52 -0.12 0.00 -1.00 0.00 0.00 55.97 56.51 2hw0 s LYS 85 Cb 0.03 -3.39 -0.06 0.00 -2.06 0.00 0.00 37.83 32.35 2hw0 s LYS 85 CO -0.03 0.04 0.84 0.00 0.10 0.00 0.00 175.35 176.30 2hw0 s ALA 86 N 0.44 3.27 0.01 0.59 0.00 -1.26 -4.87 121.76 119.94 2hw0 s ALA 86 Ca 0.51 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2hw0 s ALA 86 Cb -0.24 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2hw0 s ALA 86 CO 0.30 -0.12 -0.08 -1.59 0.00 0.00 0.00 175.76 174.27 2hw0 s LYS 87 N -4.02 0.60 0.00 0.00 -2.85 -1.26 -4.99 119.74 107.22 2hw0 s LYS 87 Ca 0.53 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 2hw0 s LYS 87 Cb -0.10 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2hw0 s LYS 87 CO 0.33 0.14 0.00 0.41 0.10 0.00 0.00 175.35 176.33 2hw0 n GLY 88 N 2.47 -0.19 3.82 0.59 0.00 -1.26 -4.81 105.19 105.81 2hw0 n GLY 88 Ca -0.16 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 2.02 0.27 2.61 -4.23 -1.26 -4.99 115.64 110.06 2hw0 s THR 89 Ca 0.00 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2hw0 s THR 89 Cb 0.00 -2.61 0.26 0.00 1.34 0.00 0.00 72.50 71.49 2hw0 s THR 89 CO 0.00 0.00 1.86 -0.78 -0.54 0.00 0.00 174.62 175.16 2hw0 h ASP 90 N 1.10 0.95 -0.33 3.99 1.82 -1.97 -0.90 116.42 121.08 2hw0 h ASP 90 Ca -0.40 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.20 2hw0 h ASP 90 Cb 1.28 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.10 2hw0 h ASP 90 CO 0.64 0.57 0.02 -0.61 -1.61 0.00 0.00 179.24 178.25 2hw0 h GLN 91 N 1.06 0.67 -0.50 0.28 5.75 -1.96 0.20 115.11 120.62 2hw0 h GLN 91 Ca 0.44 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.69 2hw0 h GLN 91 Cb 0.28 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2hw0 h GLN 91 CO -0.21 0.67 -0.08 1.96 -2.65 0.00 0.00 178.83 178.53 2hw0 h GLN 92 N 0.64 0.94 -0.02 1.69 4.20 -1.58 -1.12 115.11 119.86 2hw0 h GLN 92 Ca 0.13 -0.34 -0.26 0.00 0.06 0.00 0.00 58.65 58.24 2hw0 h GLN 92 Cb 0.37 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.10 2hw0 h GLN 92 CO 0.01 1.00 -1.00 -0.91 -0.67 0.00 0.00 178.83 177.26 2hw0 h ASN 93 N 0.80 0.91 -0.31 1.46 -0.26 -1.07 -1.60 115.58 115.50 2hw0 h ASN 93 Ca 0.13 -0.73 -0.01 0.00 -0.56 0.00 0.00 56.30 55.14 2hw0 h ASN 93 Cb 0.63 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 2hw0 h ASN 93 CO 0.04 1.51 0.16 0.50 -1.06 0.00 0.00 177.43 178.59 2hw0 h LYS 94 N 0.39 0.44 -0.17 0.81 3.64 -0.57 -1.25 116.57 119.85 2hw0 h LYS 94 Ca -0.12 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.05 2hw0 h LYS 94 Cb 1.65 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 2hw0 h LYS 94 CO 0.20 0.38 -0.54 0.93 -2.27 0.00 0.00 179.45 178.15 2hw0 h GLU 95 N 0.38 0.51 -0.48 1.90 5.08 -1.28 -2.66 114.58 118.04 2hw0 h GLU 95 Ca 0.11 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2hw0 h GLU 95 Cb 0.08 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2hw0 h GLU 95 CO -0.02 0.93 0.26 -0.92 -1.00 0.00 0.00 179.01 178.26 2hw0 h TYR 96 N 0.40 0.65 -0.28 4.33 3.20 -1.05 0.32 116.97 124.54 2hw0 h TYR 96 Ca 0.01 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2hw0 h TYR 96 Cb 1.08 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 2hw0 h TYR 96 CO 0.04 0.48 -0.22 0.00 -1.64 0.00 0.00 178.16 176.83 2hw0 h SER 98 N 0.47 0.00 -0.03 0.00 0.87 -1.09 -3.25 113.55 110.51 2hw0 h SER 98 Ca 0.07 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2hw0 h SER 98 Cb 0.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2hw0 h SER 98 CO 0.05 0.02 0.07 0.50 -0.53 0.00 0.00 176.83 176.94 2hw0 h LYS 99 N 0.00 0.00 0.00 2.24 3.64 0.12 0.16 116.57 122.74 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 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 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 -1.70 -3.46 114.58 116.40 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 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 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 0.36 1.44 2.86 -3.84 0.00 0.57 -4.82 105.19 101.75 2hw0 n GLY 101 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.22 1.51 -0.20 1.61 -0.87 -1.25 -5.07 114.94 107.46 2hw0 s ASN 102 Ca 0.00 -0.16 -0.09 0.00 -1.57 0.00 0.00 52.86 51.04 2hw0 s ASN 102 Cb 0.00 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.25 40.62 2hw0 s ASN 102 CO 0.00 -0.11 0.10 -0.76 -2.57 0.00 0.00 177.10 173.76 2hw0 s LEU 103 N 1.45 3.98 -0.15 0.60 2.01 -1.26 -0.10 118.68 125.20 2hw0 s LEU 103 Ca -0.02 0.12 0.03 0.00 0.01 0.00 0.00 54.13 54.27 2hw0 s LEU 103 Cb -0.13 -2.03 -0.23 0.00 0.01 0.00 0.00 46.19 43.81 2hw0 s LEU 103 CO -0.03 0.15 0.23 -0.11 1.01 0.00 0.00 176.35 177.60 2hw0 n LEU 104 N 3.72 2.02 -3.69 1.79 -0.00 0.41 -4.71 117.00 116.54 2hw0 n LEU 104 Ca -0.16 0.13 -0.12 0.00 -0.00 0.00 0.00 56.01 55.86 2hw0 n LEU 104 Cb 0.52 -0.59 -0.09 0.00 -0.00 0.00 0.00 43.42 43.26 2hw0 n LEU 104 CO 0.36 0.74 0.19 -0.32 -0.00 0.00 0.00 177.39 178.35 2hw0 s MET 105 N -2.55 0.58 -0.26 1.96 0.00 -0.70 -4.96 119.30 113.37 2hw0 s MET 105 Ca -0.20 0.80 -0.01 0.00 0.00 0.00 0.00 55.69 56.28 2hw0 s MET 105 Cb 0.07 0.21 0.08 0.00 0.00 0.00 0.00 34.83 35.19 2hw0 s MET 105 CO 0.74 -0.10 0.04 -2.00 0.00 0.00 0.00 175.02 173.70 2hw0 s GLU 106 N 0.67 0.94 0.35 4.11 2.12 -1.26 -1.15 118.70 124.48 2hw0 s GLU 106 Ca -0.03 -0.87 -0.09 0.00 0.36 0.00 0.00 54.97 54.33 2hw0 s GLU 106 Cb -0.05 -2.22 0.02 0.00 0.26 0.00 0.00 34.13 32.14 2hw0 s GLU 106 CO -0.05 -0.78 0.60 0.00 -0.54 0.00 0.00 175.26 174.50 2hw0 n GLY 108 N -0.53 -0.88 3.68 0.00 0.00 -1.26 -2.39 105.19 103.81 2hw0 n GLY 108 Ca -0.03 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.11 3.24 -0.50 4.61 0.00 0.66 -4.83 121.76 123.83 2hw0 s ALA 109 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.10 2hw0 s ALA 109 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2hw0 s ALA 109 CO 0.00 0.28 1.79 -1.25 0.00 0.00 0.00 175.76 176.58 2hw0 s PRO 110 N -3.65 2.97 0.63 0.00 0.04 -1.26 -4.48 135.00 129.25 2hw0 s PRO 110 Ca 0.31 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 2hw0 s PRO 110 Cb -0.07 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 2hw0 s PRO 110 CO 0.21 -2.31 1.10 1.03 0.04 0.00 0.00 177.00 177.07 2hw0 s ARG 111 N 6.34 2.98 -0.11 4.56 1.81 -1.26 -5.06 118.95 128.21 2hw0 s ARG 111 Ca 0.71 1.39 -0.30 0.00 -1.72 0.00 0.00 55.73 55.80 2hw0 s ARG 111 Cb -0.16 -1.97 0.10 0.00 -0.45 0.00 0.00 34.95 32.47 2hw0 s ARG 111 CO 0.26 -1.11 0.86 0.45 -0.68 0.00 0.00 175.30 175.09 2hw0 s SER 112 N -2.50 -0.49 0.09 0.23 0.15 -1.26 -4.35 113.70 105.57 2hw0 s SER 112 Ca 0.67 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.86 2hw0 s SER 112 Cb -0.20 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2hw0 s SER 112 CO 0.38 -0.46 -0.05 -1.10 1.20 0.00 0.00 173.24 173.22 2hw0 s GLN 113 N -1.17 0.77 0.00 5.44 -0.21 -1.26 -5.10 119.66 118.14 2hw0 s GLN 113 Ca -0.06 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.02 2hw0 s GLN 113 Cb -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.96 2hw0 s GLN 113 CO 0.05 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 2hw0 n GLY 114 N -0.00 -1.01 0.00 3.09 0.00 -1.26 -5.11 105.19 100.90 2hw0 n GLY 114 Ca -0.12 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.00 0.00 1.61 1.13 -1.26 -5.39 117.38 113.47 2hw0 n GLN 115 Ca 0.00 0.27 0.11 0.00 -1.94 0.00 0.00 57.00 55.45 2hw0 n GLN 115 Cb 0.00 -0.91 0.09 0.00 0.11 0.00 0.00 30.24 29.53 2hw0 n GLN 115 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49