#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 -0.81 -0.10 3.54 1.04 -1.26 -5.16 113.70 110.96 2hw0 s SER 3 Ca 0.00 1.17 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 2hw0 s SER 3 Cb 0.00 1.72 -0.03 0.00 0.10 0.00 0.00 66.02 67.82 2hw0 s SER 3 CO 0.00 -0.17 -0.07 -0.54 0.98 0.00 0.00 173.24 173.44 2hw0 s LYS 4 N 2.23 3.06 0.55 4.02 3.01 -1.26 -5.12 119.74 126.22 2hw0 s LYS 4 Ca -0.06 -0.56 -0.03 0.00 -1.01 0.00 0.00 55.97 54.30 2hw0 s LYS 4 Cb -0.07 -2.67 0.11 0.00 -1.01 0.00 0.00 37.83 34.19 2hw0 s LYS 4 CO -0.18 0.50 0.75 1.63 0.51 0.00 0.00 175.35 178.56 2hw0 n LYS 5 N 2.73 -0.13 -4.38 1.68 5.02 -1.26 -5.12 118.16 116.70 2hw0 n LYS 5 Ca -0.18 -1.78 -0.27 0.00 -2.02 0.00 0.00 58.31 54.07 2hw0 n LYS 5 Cb 0.53 -0.58 -0.11 0.00 -0.02 0.00 0.00 35.03 34.85 2hw0 n LYS 5 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2hw0 s ASN 6 N -3.96 3.69 -0.12 4.39 0.01 -1.26 -5.13 114.94 112.56 2hw0 s ASN 6 Ca 0.48 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.77 2hw0 s ASN 6 Cb -0.02 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 2hw0 s ASN 6 CO 0.32 0.12 0.16 -0.83 -1.51 0.00 0.00 177.10 175.36 2hw0 s GLY 7 N -2.69 2.17 0.29 0.66 0.00 -1.26 -5.10 107.32 101.39 2hw0 s GLY 7 Ca 0.22 -0.61 0.10 0.00 0.00 0.00 0.00 44.72 44.43 2hw0 s GLY 7 CO 0.11 -0.23 -0.14 0.50 0.00 0.00 0.00 173.10 173.34 2hw0 s ARG 8 N -0.77 1.66 -0.14 2.90 0.52 -1.26 -5.14 118.95 116.72 2hw0 s ARG 8 Ca 0.15 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 2hw0 s ARG 8 Cb -0.12 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2hw0 s ARG 8 CO 0.04 0.21 -0.15 -1.54 0.02 0.00 0.00 175.30 173.87 2hw0 s SER 9 N -3.50 3.70 0.00 0.23 1.04 -1.26 -5.05 113.70 108.86 2hw0 s SER 9 Ca 0.30 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2hw0 s SER 9 Cb -0.01 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2hw0 s SER 9 CO 0.14 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2hw0 n GLY 10 N 3.87 0.95 3.77 7.32 0.00 -1.26 -5.10 105.19 114.74 2hw0 n GLY 10 Ca -0.19 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 2hw0 n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hw0 s PRO 11 N -1.87 4.33 0.25 1.61 0.04 -1.26 -5.05 135.00 133.05 2hw0 s PRO 11 Ca 0.00 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2hw0 s PRO 11 Cb 0.00 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2hw0 s PRO 11 CO 0.00 -0.13 0.35 -0.65 0.04 0.00 0.00 177.00 176.60 2hw0 s GLN 12 N -1.86 3.33 0.44 4.56 -0.21 -1.26 -4.97 119.66 119.70 2hw0 s GLN 12 Ca 0.50 -0.83 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 2hw0 s GLN 12 Cb -0.35 -2.83 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 2hw0 s GLN 12 CO 0.46 0.39 1.17 -1.25 -2.12 0.00 0.00 175.29 173.93 2hw0 s PRO 13 N -3.98 3.83 0.37 2.91 0.04 -1.26 -4.88 135.00 132.03 2hw0 s PRO 13 Ca 0.35 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.24 2hw0 s PRO 13 Cb -0.09 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2hw0 s PRO 13 CO 0.29 -0.50 0.18 -1.01 0.04 0.00 0.00 177.00 176.00 2hw0 s HIS 14 N -1.51 1.74 -0.58 0.56 3.76 -0.39 -4.68 115.29 114.20 2hw0 s HIS 14 Ca 0.62 -1.43 0.16 0.00 -0.15 0.00 0.00 55.06 54.26 2hw0 s HIS 14 Cb -0.29 -0.96 0.70 0.00 1.11 0.00 0.00 32.58 33.14 2hw0 s HIS 14 CO 0.36 -0.53 1.62 0.36 -0.85 0.00 0.00 174.74 175.70 2hw0 n LYS 15 N -0.77 4.00 -3.78 1.40 0.00 -1.26 -2.19 118.16 115.56 2hw0 n LYS 15 Ca -0.01 -2.95 -0.18 0.00 -0.00 0.00 0.00 58.31 55.18 2hw0 n LYS 15 Cb 0.64 -2.00 -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 -2.36 0.09 -0.16 -1.58 0.52 -1.26 -0.04 118.95 114.16 2hw0 s ARG 16 Ca 0.49 0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.80 2hw0 s ARG 16 Cb 0.36 -0.46 0.05 0.00 0.52 0.00 0.00 34.95 35.42 2hw0 s ARG 16 CO 0.18 -0.22 0.40 -1.58 0.02 0.00 0.00 175.30 174.09 2hw0 s TRP 17 N 1.49 -0.50 0.28 -0.53 0.52 -0.96 -4.09 118.94 115.15 2hw0 s TRP 17 Ca -0.03 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.30 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 0.17 0.14 0.02 0.00 0.00 176.95 176.99 2hw0 s VAL 18 N 0.72 3.97 0.01 4.03 -7.23 0.76 -1.96 120.40 120.70 2hw0 s VAL 18 Ca -0.04 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2hw0 s VAL 18 Cb -0.05 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 2hw0 s VAL 18 CO -0.05 -0.31 -0.03 0.72 -0.31 0.00 0.00 175.10 175.12 2hw0 s PHE 19 N -2.23 0.28 -0.14 2.82 -0.71 -0.97 -1.36 117.98 115.67 2hw0 s PHE 19 Ca 0.34 -0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.88 2hw0 s PHE 19 Cb -0.07 -0.18 0.06 0.00 -1.21 0.00 0.00 43.02 41.61 2hw0 s PHE 19 CO 0.24 -0.08 0.34 0.95 -1.34 0.00 0.00 175.22 175.33 2hw0 s THR 20 N -0.74 -0.09 -0.03 -4.49 -4.23 0.93 -2.51 115.64 104.48 2hw0 s THR 20 Ca -0.07 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 2hw0 s THR 20 Cb -0.05 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.30 2hw0 s THR 20 CO -0.00 0.05 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.91 2hw0 s LEU 21 N 1.48 1.23 0.01 4.79 2.96 -0.91 -1.38 118.68 126.86 2hw0 s LEU 21 Ca -0.08 -0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 2hw0 s LEU 21 Cb -0.10 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 2hw0 s LEU 21 CO -0.11 -0.09 0.95 0.21 -1.32 0.00 0.00 176.35 175.99 2hw0 s ASN 22 N 0.94 7.34 -0.89 3.68 2.47 -1.26 -0.23 114.94 126.99 2hw0 s ASN 22 Ca -0.10 1.63 -0.06 0.00 0.42 0.00 0.00 52.86 54.75 2hw0 s ASN 22 Cb -0.13 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 2hw0 s ASN 22 CO -0.01 -0.22 0.71 -3.20 -3.72 0.00 0.00 177.10 170.66 2hw0 n ASN 23 N 3.72 -6.19 -4.77 -4.21 4.05 0.90 -4.92 115.26 103.84 2hw0 n ASN 23 Ca 0.05 -0.63 -0.37 0.00 0.45 0.00 0.00 54.58 54.08 2hw0 n ASN 23 Cb 0.51 -3.69 -0.01 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 -4.47 3.75 0.49 1.20 0.04 -1.26 -5.03 135.00 129.73 2hw0 s PRO 24 Ca 0.15 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 2hw0 s PRO 24 Cb -0.05 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2hw0 s PRO 24 CO 0.82 -0.56 0.80 -1.12 0.04 0.00 0.00 177.00 176.99 2hw0 s SER 25 N -1.37 6.20 0.50 6.66 0.01 -1.26 -4.87 113.70 119.58 2hw0 s SER 25 Ca 0.64 0.91 0.16 0.00 1.31 0.00 0.00 55.95 58.97 2hw0 s SER 25 Cb -0.28 -2.19 1.22 0.00 0.21 0.00 0.00 66.02 64.97 2hw0 s SER 25 CO 0.35 -0.63 2.11 -0.33 0.41 0.00 0.00 173.24 175.15 2hw0 h GLU 26 N 0.18 0.00 0.01 12.44 5.08 -1.98 0.25 114.58 130.56 2hw0 h GLU 26 Ca -0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2hw0 h GLU 26 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 26 CO 0.61 0.05 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.12 2hw0 h ASP 27 N 0.00 0.09 -0.34 1.42 3.32 -1.98 -2.32 116.42 116.61 2hw0 h ASP 27 Ca -0.00 -0.84 -0.04 0.00 0.02 0.00 0.00 57.03 56.17 2hw0 h ASP 27 Cb 0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2hw0 h ASP 27 CO 0.01 0.92 0.04 -0.08 -1.72 0.00 0.00 179.24 178.40 2hw0 h GLU 28 N -0.72 0.58 -0.69 3.56 4.22 -1.88 -0.82 114.58 118.82 2hw0 h GLU 28 Ca -0.02 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.21 2hw0 h GLU 28 Cb 0.94 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2hw0 h GLU 28 CO 0.02 0.67 0.26 -0.09 -2.18 0.00 0.00 179.01 177.69 2hw0 h ARG 29 N 0.41 1.03 -0.20 1.92 2.43 -0.64 -2.47 114.38 116.87 2hw0 h ARG 29 Ca 0.10 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 2hw0 h ARG 29 Cb 0.38 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2hw0 h ARG 29 CO 0.01 0.86 -0.46 0.87 -1.51 0.00 0.00 179.97 179.74 2hw0 h LYS 30 N 1.01 0.50 0.20 0.20 1.79 -1.25 -2.01 116.57 117.00 2hw0 h LYS 30 Ca 0.23 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2hw0 h LYS 30 Cb 0.22 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2hw0 h LYS 30 CO -0.02 0.86 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.90 2hw0 h LYS 31 N 0.40 -0.25 -0.60 3.15 3.64 -0.74 0.33 116.57 122.49 2hw0 h LYS 31 Ca 0.03 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2hw0 h LYS 31 Cb 0.96 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2hw0 h LYS 31 CO 0.09 -0.12 0.19 0.82 -2.27 0.00 0.00 179.45 178.15 2hw0 h ILE 32 N -0.32 1.24 0.00 2.00 2.04 -1.47 -1.71 117.51 119.30 2hw0 h ILE 32 Ca -0.03 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2hw0 h ILE 32 Cb 0.25 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2hw0 h ILE 32 CO 0.04 0.31 -0.05 -0.09 0.00 0.00 0.00 178.15 178.36 2hw0 h ARG 33 N 0.86 0.00 -0.63 2.37 2.43 -1.22 -2.32 114.38 115.87 2hw0 h ARG 33 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2hw0 h ARG 33 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2hw0 h ARG 33 CO -0.01 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.26 2hw0 n ASP 34 N -3.17 3.64 -4.71 -3.80 8.00 0.11 -4.98 116.55 111.63 2hw0 n ASP 34 Ca 0.00 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.20 2hw0 n ASP 34 Cb 0.34 -0.42 0.13 0.00 -0.02 0.00 0.00 41.12 41.15 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hw0 s LEU 35 N -1.11 2.86 -0.14 0.64 1.43 -0.70 -4.93 118.68 116.73 2hw0 s LEU 35 Ca 0.45 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 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 -2.62 1.55 -2.16 0.23 0.00 0.00 176.35 173.67 2hw0 s PRO 36 N -4.78 4.05 0.27 1.29 0.04 -1.26 -4.90 135.00 129.71 2hw0 s PRO 36 Ca 0.64 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 36 Cb -0.20 -3.96 0.37 0.00 0.04 0.00 0.00 34.50 30.75 2hw0 s PRO 36 CO 0.57 -0.98 1.67 -0.84 0.04 0.00 0.00 177.00 177.46 2hw0 h ILE 37 N 5.76 1.30 0.00 0.56 3.07 -1.91 -2.63 117.51 123.66 2hw0 h ILE 37 Ca -0.34 -1.51 -0.01 0.00 1.55 0.00 0.00 64.86 64.55 2hw0 h ILE 37 Cb 1.15 1.60 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 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 0.32 0.00 0.70 2.16 0.02 -1.99 -2.32 113.55 112.44 2hw0 h SER 38 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2hw0 h SER 38 Cb 0.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 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 -7.83 5.07 6.46 -1.87 -3.42 115.31 113.73 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 0.41 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.97 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 -3.54 2.35 0.55 1.25 0.40 -0.87 -2.53 117.98 115.59 2hw0 s PHE 40 Ca -0.01 -1.48 0.30 0.00 -0.60 0.00 0.00 56.93 55.14 2hw0 s PHE 40 Cb 0.12 -1.63 1.46 0.00 0.51 0.00 0.00 43.02 43.48 2hw0 s PHE 40 CO 0.75 -0.72 1.90 0.22 0.70 0.00 0.00 175.22 178.07 2hw0 h ASP 41 N 8.00 0.00 -3.35 1.36 1.82 -1.63 -3.38 116.42 119.24 2hw0 h ASP 41 Ca -0.31 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.01 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 0.50 0.00 -0.69 -0.47 -1.61 0.00 0.00 179.24 176.96 2hw0 s TYR 42 N -4.87 -0.03 -0.14 0.28 5.04 -1.24 -0.26 117.35 116.13 2hw0 s TYR 42 Ca -0.05 0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.89 2hw0 s TYR 42 Cb 0.19 -0.30 0.04 0.00 0.35 0.00 0.00 41.96 42.24 2hw0 s TYR 42 CO 0.70 -0.17 -0.00 0.12 -1.34 0.00 0.00 175.55 174.85 2hw0 s PHE 43 N 1.71 1.11 -0.09 4.97 2.19 -1.00 -0.07 117.98 126.79 2hw0 s PHE 43 Ca -0.02 -0.69 -0.02 0.00 0.33 0.00 0.00 56.93 56.53 2hw0 s PHE 43 Cb -0.12 -1.04 0.04 0.00 -1.31 0.00 0.00 43.02 40.59 2hw0 s PHE 43 CO -0.04 -0.52 0.04 -1.50 1.83 0.00 0.00 175.22 175.03 2hw0 s ILE 44 N 1.83 0.17 0.07 3.12 2.07 -0.46 -1.50 121.20 126.50 2hw0 s ILE 44 Ca 0.02 0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.45 2hw0 s ILE 44 Cb -0.15 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.10 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.05 2.41 -0.01 4.00 1.01 -0.48 -0.03 120.40 129.35 2hw0 s VAL 45 Ca 0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 2hw0 s VAL 45 Cb -0.13 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2hw0 s VAL 45 CO -0.05 0.28 0.01 -0.83 0.00 0.00 0.00 175.10 174.51 2hw0 s GLY 46 N -1.54 0.04 -0.15 4.51 0.00 -0.33 -1.15 107.32 108.69 2hw0 s GLY 46 Ca 0.14 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.92 2hw0 s GLY 46 CO 0.04 0.26 0.05 1.85 0.00 0.00 0.00 173.10 175.30 2hw0 s GLU 47 N 0.40 3.63 -0.34 2.90 2.12 -0.22 -1.85 118.70 125.34 2hw0 s GLU 47 Ca -0.03 -0.34 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 2hw0 s GLU 47 Cb -0.05 -3.08 0.07 0.00 0.26 0.00 0.00 34.13 31.33 2hw0 s GLU 47 CO -0.01 0.45 0.07 -2.00 -0.54 0.00 0.00 175.26 173.23 2hw0 s GLU 48 N -0.14 2.31 -0.47 4.30 2.12 -0.82 -4.15 118.70 121.84 2hw0 s GLU 48 Ca 0.07 -1.42 0.06 0.00 0.36 0.00 0.00 54.97 54.04 2hw0 s GLU 48 Cb -0.12 -3.32 0.24 0.00 0.26 0.00 0.00 34.13 31.19 2hw0 s GLU 48 CO 0.01 -0.76 0.81 0.41 -0.54 0.00 0.00 175.26 175.19 2hw0 n GLY 49 N 4.63 0.61 0.98 -1.50 0.00 -1.26 -2.25 105.19 106.40 2hw0 n GLY 49 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.63 2.21 -3.71 1.61 4.05 -1.26 -4.97 115.26 114.81 2hw0 n ASN 50 Ca 0.12 -3.67 -0.27 0.00 0.45 0.00 0.00 54.58 51.20 2hw0 n ASN 50 Cb 0.61 -0.47 -0.17 0.00 1.23 0.00 0.00 39.78 40.98 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 -3.03 0.56 0.52 1.20 2.12 -1.26 -5.13 118.70 113.68 2hw0 s GLU 51 Ca 0.40 -0.37 -0.22 0.00 0.36 0.00 0.00 54.97 55.13 2hw0 s GLU 51 Cb 0.38 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.64 2hw0 s GLU 51 CO -0.06 -0.65 1.31 -2.00 -0.54 0.00 0.00 175.26 173.32 2hw0 s GLU 52 N 1.90 3.33 0.00 4.30 -6.30 -1.26 -2.66 118.70 118.01 2hw0 s GLU 52 Ca -0.00 2.11 0.00 0.00 -2.50 0.00 0.00 54.97 54.58 2hw0 s GLU 52 Cb -0.17 -2.32 0.00 0.00 0.00 0.00 0.00 34.13 31.65 2hw0 s GLU 52 CO -0.08 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.61 2hw0 n GLY 53 N 0.64 3.27 3.57 -1.50 0.00 -1.26 -5.02 105.19 104.89 2hw0 n GLY 53 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.61 2.06 0.51 1.61 6.06 -1.09 -5.13 118.95 122.36 2hw0 s ARG 54 Ca 0.00 -1.30 -0.07 0.00 -2.50 0.00 0.00 55.73 51.86 2hw0 s ARG 54 Cb 0.00 -2.14 -0.04 0.00 0.06 0.00 0.00 34.95 32.83 2hw0 s ARG 54 CO 0.00 0.42 0.85 0.95 -2.50 0.00 0.00 175.30 175.02 2hw0 s THR 55 N -1.78 4.84 0.87 4.11 -4.23 -1.26 -4.86 115.64 113.33 2hw0 s THR 55 Ca 0.25 0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2hw0 s THR 55 Cb -0.08 -3.85 0.11 0.00 1.34 0.00 0.00 72.50 70.02 2hw0 s THR 55 CO 0.15 -0.89 1.09 -2.16 -0.54 0.00 0.00 174.62 172.27 2hw0 s PRO 56 N -4.76 1.45 -0.00 3.99 0.04 -1.26 -4.80 135.00 129.65 2hw0 s PRO 56 Ca 0.50 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 2hw0 s PRO 56 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2hw0 s PRO 56 CO 0.46 -2.13 0.01 -1.58 0.04 0.00 0.00 177.00 173.80 2hw0 s HIS 57 N -2.93 -0.00 -0.09 0.56 2.46 -0.95 -0.07 115.29 114.26 2hw0 s HIS 57 Ca 0.63 0.02 -0.15 0.00 0.47 0.00 0.00 55.06 56.03 2hw0 s HIS 57 Cb -0.18 -0.01 -0.05 0.00 -0.13 0.00 0.00 32.58 32.21 2hw0 s HIS 57 CO 0.57 -0.01 0.39 -1.17 -2.47 0.00 0.00 174.74 172.05 2hw0 s LEU 58 N 0.07 4.34 -0.25 8.88 0.20 0.68 -1.95 118.68 130.64 2hw0 s LEU 58 Ca -0.01 0.76 -0.03 0.00 0.69 0.00 0.00 54.13 55.54 2hw0 s LEU 58 Cb -0.01 -2.54 0.14 0.00 -0.43 0.00 0.00 46.19 43.35 2hw0 s LEU 58 CO -0.00 0.16 0.44 -1.58 -0.29 0.00 0.00 176.35 175.07 2hw0 s GLN 59 N -0.06 0.40 0.29 1.98 2.00 -0.77 -2.14 119.66 121.35 2hw0 s GLN 59 Ca 0.22 0.74 -0.12 0.00 -2.00 0.00 0.00 55.36 54.21 2hw0 s GLN 59 Cb -0.15 -0.09 0.01 0.00 0.80 0.00 0.00 33.01 33.58 2hw0 s GLN 59 CO 0.09 -0.56 0.54 0.20 -0.50 0.00 0.00 175.29 175.06 2hw0 s GLY 60 N 2.63 0.67 -0.00 2.59 0.00 -1.04 -1.19 107.32 110.98 2hw0 s GLY 60 Ca 0.12 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2hw0 s GLY 60 CO -0.16 -0.62 -0.12 -0.12 0.00 0.00 0.00 173.10 172.08 2hw0 s PHE 61 N -3.56 1.05 -0.05 1.90 5.36 0.95 -2.28 117.98 121.34 2hw0 s PHE 61 Ca 0.22 -0.22 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 42.02 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 -0.35 0.64 -0.37 11.12 0.00 -0.83 -1.36 121.76 130.62 2hw0 s ALA 62 Ca 0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 2hw0 s ALA 62 Cb -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.19 0.57 1.21 0.00 0.00 0.00 175.76 177.34 2hw0 s ASN 63 N 1.33 6.35 0.07 0.00 3.84 0.90 -2.27 114.94 125.16 2hw0 s ASN 63 Ca -0.05 -0.05 -0.31 0.00 0.21 0.00 0.00 52.86 52.66 2hw0 s ASN 63 Cb -0.13 -2.29 -0.07 0.00 -0.55 0.00 0.00 41.25 38.21 2hw0 s ASN 63 CO -0.02 -0.56 1.37 -0.36 -2.79 0.00 0.00 177.10 174.74 2hw0 s PHE 64 N 2.54 3.13 0.58 0.43 0.08 0.94 -2.21 117.98 123.47 2hw0 s PHE 64 Ca 0.21 0.94 0.33 0.00 0.12 0.00 0.00 56.93 58.54 2hw0 s PHE 64 Cb -0.15 -3.65 1.93 0.00 -0.57 0.00 0.00 43.02 40.58 2hw0 s PHE 64 CO 0.15 -2.29 2.26 0.28 -0.10 0.00 0.00 175.22 175.51 2hw0 h VAL 65 N 4.50 0.38 -4.36 -0.44 2.07 -1.77 -3.42 116.25 113.21 2hw0 h VAL 65 Ca -0.41 -0.09 -0.37 0.00 0.82 0.00 0.00 66.70 66.65 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 0.87 0.02 -0.29 0.29 0.02 0.00 0.00 177.57 178.47 2hw0 n LYS 66 N -3.60 0.92 -3.02 1.57 4.01 -1.26 -4.99 118.16 111.78 2hw0 n LYS 66 Ca -0.03 -2.21 -0.41 0.00 -0.51 0.00 0.00 58.31 55.15 2hw0 n LYS 66 Cb 0.10 0.96 -0.05 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 -3.04 4.18 0.08 1.97 -0.14 -1.26 -4.23 119.74 117.30 2hw0 s LYS 67 Ca 0.08 0.73 0.04 0.00 -1.36 0.00 0.00 55.97 55.47 2hw0 s LYS 67 Cb 0.00 -3.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.50 2hw0 s LYS 67 CO 0.06 -0.39 -0.12 -0.65 -0.76 0.00 0.00 175.35 173.49 2hw0 s GLN 68 N 2.41 0.82 0.57 1.68 -0.21 -0.93 -4.87 119.66 119.13 2hw0 s GLN 68 Ca 0.31 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.65 2hw0 s GLN 68 Cb -0.16 -0.67 0.04 0.00 1.00 0.00 0.00 33.01 33.22 2hw0 s GLN 68 CO 0.09 0.13 0.80 0.95 -2.12 0.00 0.00 175.29 175.14 2hw0 s THR 69 N -1.81 2.60 0.05 -0.19 -4.23 -1.26 -1.27 115.64 109.53 2hw0 s THR 69 Ca 0.01 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 59.58 2hw0 s THR 69 Cb -0.07 -2.95 -0.17 0.00 1.34 0.00 0.00 72.50 70.65 2hw0 s THR 69 CO 0.01 0.00 1.52 0.15 -0.54 0.00 0.00 174.62 175.76 2hw0 h PHE 70 N 0.01 -0.53 -0.63 3.99 3.57 -1.93 0.31 116.94 121.73 2hw0 h PHE 70 Ca -0.41 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 2hw0 h PHE 70 Cb 1.29 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 2hw0 h PHE 70 CO 0.32 -0.27 0.21 -0.97 -2.23 0.00 0.00 178.31 175.36 2hw0 h ASN 71 N -0.69 0.88 -0.09 0.41 -0.00 -2.00 -2.79 115.58 111.29 2hw0 h ASN 71 Ca -0.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 56.30 56.08 2hw0 h ASN 71 Cb 0.50 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.59 2hw0 h ASN 71 CO 0.10 0.82 -0.01 0.50 -0.00 0.00 0.00 177.43 178.84 2hw0 h LYS 72 N 0.92 0.17 -0.33 6.67 1.63 -1.92 -2.80 116.57 120.90 2hw0 h LYS 72 Ca 0.21 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.05 2hw0 h LYS 72 Cb 0.25 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2hw0 h LYS 72 CO -0.01 0.45 0.34 0.28 -3.45 0.00 0.00 179.45 177.06 2hw0 h VAL 73 N -0.13 0.46 0.00 2.00 2.07 -0.22 0.27 116.25 120.69 2hw0 h VAL 73 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2hw0 h VAL 73 Cb 0.38 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2hw0 h VAL 73 CO 0.01 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.89 2hw0 n LYS 74 N -3.84 0.08 0.28 1.57 4.76 -1.05 -1.60 118.16 118.36 2hw0 n LYS 74 Ca 0.05 0.48 0.17 0.00 -2.87 0.00 0.00 58.31 56.14 2hw0 n LYS 74 Cb 0.50 -1.71 0.73 0.00 -1.84 0.00 0.00 35.03 32.71 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 -0.59 -0.25 115.95 122.32 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 0.12 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.26 2hw0 h TRP 75 CO 0.00 0.01 -1.42 0.66 -1.28 0.00 0.00 178.44 176.41 2hw0 n TYR 76 N -3.11 0.00 0.52 0.12 4.01 -0.63 -4.62 117.16 113.45 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2hw0 n TYR 76 Cb 0.29 -0.31 0.40 0.00 -0.31 0.00 0.00 39.34 39.41 2hw0 n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2hw0 n LEU 77 N -3.43 0.27 -0.96 7.72 4.77 -0.90 -4.96 117.00 119.50 2hw0 n LEU 77 Ca -0.17 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.59 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2hw0 n LEU 77 CO 0.01 -0.33 -0.35 0.61 -1.33 0.00 0.00 177.39 176.01 2hw0 n GLY 78 N 0.20 -3.41 0.14 -0.72 0.00 -0.11 -4.18 105.19 97.12 2hw0 n GLY 78 Ca 0.03 -1.09 0.01 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 -0.30 0.81 -0.89 4.61 0.00 -1.95 -3.22 119.26 118.31 2hw0 h ALA 79 Ca -0.05 -0.51 0.14 0.00 0.00 0.00 0.00 54.91 54.48 2hw0 h ALA 79 Cb 0.72 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2hw0 h ALA 79 CO 0.02 0.70 0.50 0.00 0.00 0.00 0.00 179.25 180.47 2hw0 h ARG 80 N 0.00 0.72 -5.65 0.00 3.08 -1.95 -3.39 114.38 107.19 2hw0 h ARG 80 Ca -0.01 -0.04 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 2hw0 h ARG 80 Cb 1.20 -0.16 -0.09 0.00 0.08 0.00 0.00 29.97 31.00 2hw0 h ARG 80 CO 0.07 0.47 -0.24 0.00 -1.07 0.00 0.00 179.97 179.21 2hw0 s HIS 82 N 0.35 3.16 0.12 0.00 2.46 -0.48 -4.80 115.29 116.11 2hw0 s HIS 82 Ca 0.21 1.11 0.07 0.00 0.47 0.00 0.00 55.06 56.93 2hw0 s HIS 82 Cb -0.14 -3.50 -0.04 0.00 -0.13 0.00 0.00 32.58 28.77 2hw0 s HIS 82 CO 0.07 -1.67 -0.09 0.96 -2.47 0.00 0.00 174.74 171.54 2hw0 s ILE 83 N 1.92 3.36 0.16 0.89 -4.36 -1.26 -0.05 121.20 121.86 2hw0 s ILE 83 Ca 0.59 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 2hw0 s ILE 83 Cb -0.28 -2.59 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 2hw0 s ILE 83 CO 0.25 0.07 0.32 -0.70 0.24 0.00 0.00 174.94 175.12 2hw0 s GLU 84 N -2.34 1.16 0.08 0.37 -6.30 -0.47 -4.97 118.70 106.23 2hw0 s GLU 84 Ca 0.22 -1.08 -0.30 0.00 -2.50 0.00 0.00 54.97 51.31 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.00 0.00 0.00 34.13 34.37 2hw0 s GLU 84 CO 0.14 -0.44 1.03 0.15 0.02 0.00 0.00 175.26 176.16 2hw0 s LYS 85 N -3.94 4.60 0.45 4.30 1.02 -1.26 -0.17 119.74 124.74 2hw0 s LYS 85 Ca 0.14 1.54 -0.07 0.00 0.02 0.00 0.00 55.97 57.60 2hw0 s LYS 85 Cb 0.03 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2hw0 s LYS 85 CO -0.02 0.04 0.78 0.00 -0.92 0.00 0.00 175.35 175.23 2hw0 s ALA 86 N 0.41 3.38 -0.01 5.17 0.00 -1.26 -4.85 121.76 124.61 2hw0 s ALA 86 Ca 0.51 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2hw0 s ALA 86 Cb -0.25 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 2hw0 s ALA 86 CO 0.30 -0.23 0.06 -1.59 0.00 0.00 0.00 175.76 174.30 2hw0 s LYS 87 N -4.42 0.23 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.48 2hw0 s LYS 87 Ca 0.49 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2hw0 s LYS 87 Cb -0.10 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2hw0 s LYS 87 CO 0.40 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.22 2hw0 n GLY 88 N 2.29 -0.40 3.88 0.59 0.00 -1.26 -4.82 105.19 105.48 2hw0 n GLY 88 Ca -0.18 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 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 2.19 0.26 2.61 -4.23 -1.26 -4.99 115.64 110.23 2hw0 s THR 89 Ca 0.00 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2hw0 s THR 89 Cb 0.00 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.51 2hw0 s THR 89 CO 0.00 0.00 1.88 -0.78 -0.54 0.00 0.00 174.62 175.18 2hw0 h ASP 90 N 0.90 1.02 -0.29 3.99 1.82 -1.97 -1.11 116.42 120.77 2hw0 h ASP 90 Ca -0.39 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.19 2hw0 h ASP 90 Cb 1.28 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 2hw0 h ASP 90 CO 0.57 0.64 -0.04 1.56 -1.61 0.00 0.00 179.24 180.36 2hw0 h GLN 91 N 1.15 0.66 -0.35 0.28 1.08 -1.96 0.27 115.11 116.25 2hw0 h GLN 91 Ca 0.43 -0.18 -0.13 0.00 -1.45 0.00 0.00 58.65 57.33 2hw0 h GLN 91 Cb 0.19 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2hw0 h GLN 91 CO -0.18 0.71 -0.30 1.96 -0.95 0.00 0.00 178.83 180.07 2hw0 h GLN 92 N 0.62 0.74 0.19 1.46 4.20 -1.63 -1.61 115.11 119.08 2hw0 h GLN 92 Ca 0.12 -0.33 -0.32 0.00 0.06 0.00 0.00 58.65 58.18 2hw0 h GLN 92 Cb 0.45 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 28.25 2hw0 h GLN 92 CO 0.02 0.95 -1.37 -0.91 -0.67 0.00 0.00 178.83 176.85 2hw0 h ASN 93 N 0.63 0.86 -0.26 1.46 -0.26 -1.01 -2.12 115.58 114.88 2hw0 h ASN 93 Ca 0.07 -0.86 -0.01 0.00 -0.56 0.00 0.00 56.30 54.95 2hw0 h ASN 93 Cb 0.82 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2hw0 h ASN 93 CO 0.07 1.66 0.14 0.50 -1.06 0.00 0.00 177.43 178.74 2hw0 h LYS 94 N 0.21 0.37 -0.18 0.81 3.64 -0.46 -2.20 116.57 118.76 2hw0 h LYS 94 Ca -0.22 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 58.96 2hw0 h LYS 94 Cb 2.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 2hw0 h LYS 94 CO 0.26 0.34 -0.53 0.93 -2.27 0.00 0.00 179.45 178.17 2hw0 h GLU 95 N 0.31 0.51 -0.30 1.90 5.08 -1.40 -2.64 114.58 118.03 2hw0 h GLU 95 Ca 0.09 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2hw0 h GLU 95 Cb 0.08 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2hw0 h GLU 95 CO -0.01 0.92 0.07 -0.92 -1.00 0.00 0.00 179.01 178.06 2hw0 h TYR 96 N 0.40 0.12 -0.24 4.33 3.20 -1.15 0.27 116.97 123.90 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2hw0 h TYR 96 Cb 1.06 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2hw0 h TYR 96 CO 0.04 0.04 -0.30 0.00 -1.64 0.00 0.00 178.16 176.29 2hw0 n SER 98 N -4.09 0.41 0.24 0.00 2.88 -0.80 -3.28 113.62 108.98 2hw0 n SER 98 Ca -0.01 0.55 0.18 0.00 -1.33 0.00 0.00 58.87 58.26 2hw0 n SER 98 Cb 0.44 -0.66 0.89 0.00 -0.75 0.00 0.00 64.21 64.13 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 3.11 0.04 0.26 116.57 118.52 2hw0 h LYS 99 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2hw0 h LYS 99 Cb 0.54 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2hw0 h LYS 99 CO 0.00 0.00 -0.08 0.93 -2.81 0.00 0.00 179.45 177.49 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.73 -3.47 114.58 116.36 2hw0 h GLU 100 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2hw0 h GLU 100 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2hw0 h GLU 100 CO -0.00 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 2hw0 n GLY 101 N 0.30 1.69 2.84 -3.84 0.00 0.93 -4.85 105.19 102.25 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 0.21 0.00 0.00 0.00 173.32 173.53 2hw0 s ASN 102 N -2.65 1.41 -0.20 1.61 2.47 -1.26 -5.10 114.94 111.21 2hw0 s ASN 102 Ca 0.00 -0.13 -0.10 0.00 0.42 0.00 0.00 52.86 53.05 2hw0 s ASN 102 Cb 0.00 -0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 39.26 2hw0 s ASN 102 CO 0.00 -0.13 0.14 -0.76 -3.72 0.00 0.00 177.10 172.63 2hw0 s LEU 103 N 1.52 4.21 0.14 3.21 1.43 -1.26 -1.06 118.68 126.86 2hw0 s LEU 103 Ca -0.01 0.23 0.16 0.00 -1.03 0.00 0.00 54.13 53.48 2hw0 s LEU 103 Cb -0.13 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2hw0 s LEU 103 CO -0.03 0.17 1.03 0.25 0.23 0.00 0.00 176.35 178.00 2hw0 h LEU 104 N 6.73 0.00 -7.01 1.79 5.85 -1.43 -3.45 115.31 117.79 2hw0 h LEU 104 Ca -0.41 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2hw0 h LEU 104 Cb 1.15 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.97 2hw0 h LEU 104 CO 0.75 0.52 0.08 -0.32 -0.34 0.00 0.00 178.44 179.14 2hw0 s MET 105 N -2.96 0.79 -0.25 1.25 0.00 -1.05 -4.97 119.30 112.11 2hw0 s MET 105 Ca -0.01 1.06 -0.02 0.00 0.00 0.00 0.00 55.69 56.73 2hw0 s MET 105 Cb 0.08 0.31 0.08 0.00 0.00 0.00 0.00 34.83 35.31 2hw0 s MET 105 CO 0.79 -0.12 0.06 -2.00 0.00 0.00 0.00 175.02 173.75 2hw0 s GLU 106 N 0.80 0.74 0.35 4.11 2.12 -1.26 -1.38 118.70 124.18 2hw0 s GLU 106 Ca -0.03 -0.74 -0.09 0.00 0.36 0.00 0.00 54.97 54.47 2hw0 s GLU 106 Cb -0.05 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.31 2hw0 s GLU 106 CO -0.06 -0.80 0.61 0.00 -0.54 0.00 0.00 175.26 174.47 2hw0 n GLY 108 N -0.53 -0.53 3.68 0.00 0.00 -1.26 -2.39 105.19 104.16 2hw0 n GLY 108 Ca -0.03 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.05 3.25 -0.51 4.61 0.00 0.64 -4.85 121.76 123.86 2hw0 s ALA 109 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 2hw0 s ALA 109 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 2hw0 s ALA 109 CO 0.00 0.28 1.80 -1.25 0.00 0.00 0.00 175.76 176.59 2hw0 s PRO 110 N -3.65 2.94 0.63 0.00 0.04 -1.26 -4.52 135.00 129.16 2hw0 s PRO 110 Ca 0.31 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 2hw0 s PRO 110 Cb -0.07 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2hw0 s PRO 110 CO 0.21 -2.35 1.10 1.03 0.04 0.00 0.00 177.00 177.03 2hw0 s ARG 111 N 6.41 2.99 -0.38 4.56 1.81 -1.26 -5.00 118.95 128.07 2hw0 s ARG 111 Ca 0.70 1.39 0.11 0.00 -1.72 0.00 0.00 55.73 56.22 2hw0 s ARG 111 Cb -0.16 -1.98 0.39 0.00 -0.45 0.00 0.00 34.95 32.76 2hw0 s ARG 111 CO 0.26 -1.10 1.14 -1.13 -0.68 0.00 0.00 175.30 173.79 2hw0 n SER 112 N -2.16 -0.75 -2.49 0.23 3.41 -1.26 -4.33 113.62 106.27 2hw0 n SER 112 Ca 0.10 -2.80 -0.04 0.00 -0.26 0.00 0.00 58.87 55.88 2hw0 n SER 112 Cb 0.52 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 2hw0 n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hw0 n GLN 113 N -0.20 -3.81 -2.97 4.33 1.13 -1.26 -4.91 117.38 109.69 2hw0 n GLN 113 Ca 0.05 2.96 -0.43 0.00 -1.94 0.00 0.00 57.00 57.64 2hw0 n GLN 113 Cb 0.80 -4.67 -0.05 0.00 0.11 0.00 0.00 30.24 26.43 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2hw0 s GLY 114 N -0.82 1.55 0.08 1.08 0.00 -1.26 -4.49 107.32 103.47 2hw0 s GLY 114 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.82 2hw0 s GLY 114 CO 0.70 1.82 0.00 -0.18 0.00 0.00 0.00 173.10 175.44 2hw0 n GLN 115 N 7.00 0.00 0.00 2.90 7.27 -1.26 -5.20 117.38 128.09 2hw0 n GLN 115 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2hw0 n GLN 115 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67