#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 -0.43 0.07 3.54 0.15 -1.26 -5.19 113.70 110.58 2hw0 s SER 3 Ca 0.00 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 2hw0 s SER 3 Cb 0.00 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2hw0 s SER 3 CO 0.00 -0.69 0.17 -0.54 1.20 0.00 0.00 173.24 173.38 2hw0 s LYS 4 N -3.03 0.77 0.26 5.44 -0.14 -1.26 -5.18 119.74 116.61 2hw0 s LYS 4 Ca 0.03 -0.90 -0.09 0.00 -1.36 0.00 0.00 55.97 53.65 2hw0 s LYS 4 Cb -0.01 0.31 -0.01 0.00 -1.68 0.00 0.00 37.83 36.45 2hw0 s LYS 4 CO -0.08 -0.23 0.44 0.21 -0.76 0.00 0.00 175.35 174.92 2hw0 s LYS 5 N -3.51 1.58 0.01 1.68 2.20 -1.26 -5.19 119.74 115.26 2hw0 s LYS 5 Ca 0.02 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 2hw0 s LYS 5 Cb 0.03 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 2hw0 s LYS 5 CO -0.09 -0.65 0.00 -1.71 -0.36 0.00 0.00 175.35 172.55 2hw0 n ASN 6 N -0.59 1.55 -3.63 1.43 2.85 -1.26 -5.16 115.26 110.45 2hw0 n ASN 6 Ca -0.01 -1.02 0.01 0.00 -0.11 0.00 0.00 54.58 53.45 2hw0 n ASN 6 Cb 0.62 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.58 2hw0 n ASN 6 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2hw0 s GLY 7 N -1.26 0.36 -0.19 8.20 0.00 -1.26 -5.18 107.32 107.98 2hw0 s GLY 7 Ca 0.00 3.54 -0.28 0.00 0.00 0.00 0.00 44.72 47.98 2hw0 s GLY 7 CO 0.00 2.73 0.95 1.09 0.00 0.00 0.00 173.10 177.87 2hw0 s ARG 8 N 1.22 0.64 -0.03 2.90 1.04 -1.26 -5.17 118.95 118.29 2hw0 s ARG 8 Ca -0.08 0.35 0.01 0.00 -1.04 0.00 0.00 55.73 54.97 2hw0 s ARG 8 Cb -0.03 0.30 0.01 0.00 -2.04 0.00 0.00 34.95 33.20 2hw0 s ARG 8 CO -0.12 -0.16 -0.05 0.45 -0.04 0.00 0.00 175.30 175.38 2hw0 s SER 9 N -0.60 0.81 0.00 -2.89 0.15 -1.26 -5.12 113.70 104.79 2hw0 s SER 9 Ca -0.01 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2hw0 s SER 9 Cb -0.02 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2hw0 s SER 9 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2hw0 n GLY 10 N 3.68 0.16 3.77 9.45 0.00 -1.26 -5.12 105.19 115.86 2hw0 n GLY 10 Ca -0.22 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.69 3.72 0.26 1.61 0.04 -1.26 -5.05 135.00 132.63 2hw0 s PRO 11 Ca 0.00 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.87 2hw0 s PRO 11 Cb 0.00 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2hw0 s PRO 11 CO 0.00 -0.58 0.19 -0.65 0.04 0.00 0.00 177.00 176.00 2hw0 s GLN 12 N -2.75 2.84 0.38 4.56 -0.21 -1.26 -5.04 119.66 118.18 2hw0 s GLN 12 Ca 0.64 -1.12 -0.26 0.00 0.02 0.00 0.00 55.36 54.64 2hw0 s GLN 12 Cb -0.28 -2.51 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 2hw0 s GLN 12 CO 0.34 0.36 1.19 -1.25 -2.12 0.00 0.00 175.29 173.81 2hw0 s PRO 13 N -3.85 4.12 0.44 2.91 0.04 -1.26 -4.93 135.00 132.48 2hw0 s PRO 13 Ca 0.34 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2hw0 s PRO 13 Cb -0.07 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 2hw0 s PRO 13 CO 0.25 -0.28 0.10 -1.01 0.04 0.00 0.00 177.00 176.09 2hw0 s HIS 14 N -1.34 1.80 -1.80 0.56 3.76 -0.64 -4.63 115.29 112.99 2hw0 s HIS 14 Ca 0.55 -1.21 0.18 0.00 -0.15 0.00 0.00 55.06 54.43 2hw0 s HIS 14 Cb -0.33 -1.28 0.43 0.00 1.11 0.00 0.00 32.58 32.51 2hw0 s HIS 14 CO 0.42 -0.17 1.35 0.36 -0.85 0.00 0.00 174.74 175.85 2hw0 n LYS 15 N -1.03 2.48 -4.21 1.40 0.00 -1.26 -2.43 118.16 113.12 2hw0 n LYS 15 Ca -0.10 -2.23 -0.27 0.00 -0.00 0.00 0.00 58.31 55.71 2hw0 n LYS 15 Cb 0.65 -1.44 -0.17 0.00 -0.00 0.00 0.00 35.03 34.08 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 -1.16 1.76 -0.09 -1.58 3.00 -1.26 0.06 118.95 119.68 2hw0 s ARG 16 Ca 0.35 -0.38 -0.07 0.00 0.00 0.00 0.00 55.73 55.63 2hw0 s ARG 16 Cb 0.19 -1.63 0.03 0.00 0.00 0.00 0.00 34.95 33.55 2hw0 s ARG 16 CO 0.26 -0.14 0.24 -1.58 0.00 0.00 0.00 175.30 174.07 2hw0 s TRP 17 N 1.26 -0.28 0.25 -0.53 0.52 -0.96 -4.10 118.94 115.10 2hw0 s TRP 17 Ca -0.03 0.69 0.08 0.00 0.02 0.00 0.00 56.10 56.86 2hw0 s TRP 17 Cb -0.14 0.07 -0.04 0.00 -1.15 0.00 0.00 33.47 32.21 2hw0 s TRP 17 CO -0.04 -0.17 0.12 0.14 0.02 0.00 0.00 176.95 177.02 2hw0 s VAL 18 N 0.60 4.08 0.01 4.03 -7.23 0.82 -2.22 120.40 120.50 2hw0 s VAL 18 Ca -0.04 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2hw0 s VAL 18 Cb -0.05 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 2hw0 s VAL 18 CO -0.03 -0.35 -0.05 0.72 -0.31 0.00 0.00 175.10 175.07 2hw0 s PHE 19 N -2.19 0.47 -0.15 2.82 -0.71 -0.91 -1.97 117.98 115.33 2hw0 s PHE 19 Ca 0.32 -0.21 -0.08 0.00 -1.04 0.00 0.00 56.93 55.92 2hw0 s PHE 19 Cb -0.07 -0.29 0.06 0.00 -1.21 0.00 0.00 43.02 41.50 2hw0 s PHE 19 CO 0.23 -0.04 0.35 0.95 -1.34 0.00 0.00 175.22 175.38 2hw0 s THR 20 N -0.52 -0.12 -0.01 -4.49 -4.23 -0.65 -2.65 115.64 102.97 2hw0 s THR 20 Ca -0.02 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.04 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.27 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 1.55 1.74 0.03 4.79 2.96 -0.80 -2.26 118.68 126.69 2hw0 s LEU 21 Ca -0.08 0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 53.61 2hw0 s LEU 21 Cb -0.10 -0.00 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 2hw0 s LEU 21 CO -0.11 -0.04 0.72 0.21 -1.32 0.00 0.00 176.35 175.81 2hw0 s ASN 22 N 0.29 7.15 -0.85 3.68 3.84 -1.26 -0.93 114.94 126.86 2hw0 s ASN 22 Ca -0.02 1.37 -0.04 0.00 0.21 0.00 0.00 52.86 54.38 2hw0 s ASN 22 Cb -0.03 -2.44 -0.00 0.00 -0.55 0.00 0.00 41.25 38.22 2hw0 s ASN 22 CO -0.01 0.04 0.69 -3.20 -2.79 0.00 0.00 177.10 171.83 2hw0 n ASN 23 N 2.79 -6.39 -4.77 -4.21 4.05 0.86 -4.92 115.26 102.67 2hw0 n ASN 23 Ca -0.04 -0.55 -0.38 0.00 0.45 0.00 0.00 54.58 54.07 2hw0 n ASN 23 Cb 0.50 -3.81 -0.02 0.00 1.23 0.00 0.00 39.78 37.69 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 -4.18 3.99 0.56 1.20 0.04 -1.26 -5.04 135.00 130.31 2hw0 s PRO 24 Ca 0.10 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 2hw0 s PRO 24 Cb -0.03 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.90 2hw0 s PRO 24 CO 0.82 -0.38 0.79 -1.12 0.04 0.00 0.00 177.00 177.15 2hw0 s SER 25 N -1.13 5.31 0.36 6.66 0.01 -1.26 -4.94 113.70 118.70 2hw0 s SER 25 Ca 0.58 0.10 0.13 0.00 1.31 0.00 0.00 55.95 58.07 2hw0 s SER 25 Cb -0.31 -1.01 0.68 0.00 0.21 0.00 0.00 66.02 65.59 2hw0 s SER 25 CO 0.39 -1.13 1.80 -0.33 0.41 0.00 0.00 173.24 174.38 2hw0 h GLU 26 N 0.03 0.00 -0.00 12.44 5.08 -1.99 -1.90 114.58 128.24 2hw0 h GLU 26 Ca -0.43 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.80 2hw0 h GLU 26 Cb 1.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 2hw0 h GLU 26 CO 0.54 0.40 -0.51 0.22 -1.00 0.00 0.00 179.01 178.66 2hw0 h ASP 27 N 0.00 0.45 -0.08 1.42 1.82 -1.98 -2.18 116.42 115.88 2hw0 h ASP 27 Ca -0.00 -0.76 -0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2hw0 h ASP 27 Cb 0.71 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 2hw0 h ASP 27 CO 0.05 1.16 0.04 -0.08 -1.61 0.00 0.00 179.24 178.80 2hw0 h GLU 28 N -0.20 0.11 -0.18 0.28 4.22 -1.93 -0.39 114.58 116.49 2hw0 h GLU 28 Ca -0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 2hw0 h GLU 28 Cb 1.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2hw0 h GLU 28 CO 0.10 0.18 -0.13 0.00 -2.18 0.00 0.00 179.01 176.98 2hw0 h ARG 29 N 0.02 0.29 -0.36 1.92 3.08 -1.45 -2.49 114.38 115.38 2hw0 h ARG 29 Ca 0.03 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 2hw0 h ARG 29 Cb 0.10 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2hw0 h ARG 29 CO -0.00 0.43 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.67 2hw0 h LYS 30 N 0.27 0.93 0.22 0.04 3.64 -1.04 -0.32 116.57 120.31 2hw0 h LYS 30 Ca 0.05 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2hw0 h LYS 30 Cb 0.40 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2hw0 h LYS 30 CO 0.02 1.17 -0.10 -0.22 -2.27 0.00 0.00 179.45 178.05 2hw0 h LYS 31 N 0.75 -0.28 -0.61 1.90 3.64 -0.74 0.25 116.57 121.48 2hw0 h LYS 31 Ca 0.05 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2hw0 h LYS 31 Cb 1.03 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2hw0 h LYS 31 CO 0.10 -0.10 0.03 0.82 -2.27 0.00 0.00 179.45 178.03 2hw0 h ILE 32 N -0.40 1.26 0.00 2.00 2.04 -1.50 -1.95 117.51 118.97 2hw0 h ILE 32 Ca -0.03 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2hw0 h ILE 32 Cb 0.30 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2hw0 h ILE 32 CO 0.05 0.41 -0.04 -0.09 0.00 0.00 0.00 178.15 178.48 2hw0 h ARG 33 N 0.97 0.00 -0.66 2.37 2.43 -0.94 -2.45 114.38 116.11 2hw0 h ARG 33 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hw0 h ARG 33 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2hw0 h ARG 33 CO 0.03 0.04 0.00 -3.47 -1.51 0.00 0.00 179.97 175.05 2hw0 n ASP 34 N -3.14 3.87 -4.74 -3.80 2.03 0.87 -4.98 116.55 106.66 2hw0 n ASP 34 Ca 0.01 -2.00 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.35 -0.44 0.11 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.13 2.93 -0.12 -2.67 1.43 -0.78 -4.94 118.68 113.40 2hw0 s LEU 35 Ca 0.47 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 2hw0 s LEU 35 Cb 0.25 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2hw0 s LEU 35 CO 0.33 -2.35 1.53 -2.16 0.23 0.00 0.00 176.35 173.94 2hw0 s PRO 36 N -4.84 4.12 0.27 1.29 0.04 -1.26 -4.90 135.00 129.72 2hw0 s PRO 36 Ca 0.63 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.65 2hw0 s PRO 36 Cb -0.19 -3.93 0.36 0.00 0.04 0.00 0.00 34.50 30.78 2hw0 s PRO 36 CO 0.57 -0.89 1.64 -0.84 0.04 0.00 0.00 177.00 177.52 2hw0 h ILE 37 N 5.66 1.33 0.00 0.56 3.07 -1.92 -2.66 117.51 123.54 2hw0 h ILE 37 Ca -0.35 -1.64 0.00 0.00 1.55 0.00 0.00 64.86 64.42 2hw0 h ILE 37 Cb 1.15 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 2hw0 h ILE 37 CO 0.97 0.49 0.00 0.77 -1.05 0.00 0.00 178.15 179.33 2hw0 h SER 38 N 0.24 0.00 0.82 2.16 4.64 -1.99 -2.38 113.55 117.04 2hw0 h SER 38 Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 2hw0 h SER 38 Cb 0.91 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 2hw0 h SER 38 CO 0.07 0.00 -0.60 0.25 -0.87 0.00 0.00 176.83 175.68 2hw0 h LEU 39 N 0.00 0.00 -7.91 5.97 6.46 -1.87 -3.42 115.31 114.53 2hw0 h LEU 39 Ca 0.00 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 57.14 2hw0 h LEU 39 Cb 0.40 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.97 2hw0 h LEU 39 CO 0.00 0.60 -0.83 -0.36 -0.62 0.00 0.00 178.44 177.23 2hw0 s PHE 40 N -3.40 2.40 0.59 1.25 0.40 -0.90 -2.36 117.98 115.96 2hw0 s PHE 40 Ca -0.00 -1.43 0.29 0.00 -0.60 0.00 0.00 56.93 55.19 2hw0 s PHE 40 Cb 0.11 -1.69 1.57 0.00 0.51 0.00 0.00 43.02 43.52 2hw0 s PHE 40 CO 0.75 -0.72 2.00 -0.44 0.70 0.00 0.00 175.22 177.50 2hw0 h ASP 41 N 8.00 0.00 -2.99 1.36 3.32 -1.64 -3.39 116.42 121.08 2hw0 h ASP 41 Ca -0.37 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.50 2hw0 h ASP 41 Cb 1.13 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.37 2hw0 h ASP 41 CO 0.54 0.00 -0.46 -0.47 -1.72 0.00 0.00 179.24 177.13 2hw0 s TYR 42 N -4.61 -0.48 -0.13 4.55 5.04 -1.25 -0.33 117.35 120.15 2hw0 s TYR 42 Ca -0.04 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2hw0 s TYR 42 Cb 0.15 0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.58 2hw0 s TYR 42 CO 0.54 -0.34 -0.01 0.12 -1.34 0.00 0.00 175.55 174.52 2hw0 s PHE 43 N 2.00 1.06 -0.10 4.97 2.19 -1.00 0.04 117.98 127.15 2hw0 s PHE 43 Ca -0.03 -0.59 -0.02 0.00 0.33 0.00 0.00 56.93 56.61 2hw0 s PHE 43 Cb -0.11 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.10 -0.48 0.02 -1.50 1.83 0.00 0.00 175.22 174.99 2hw0 s ILE 44 N 1.85 0.32 -0.04 3.12 2.07 -0.43 -1.60 121.20 126.48 2hw0 s ILE 44 Ca 0.03 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 2hw0 s ILE 44 Cb -0.14 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 2hw0 s ILE 44 CO -0.07 0.14 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.18 2hw0 s VAL 45 N 1.99 1.86 -0.02 4.00 1.01 -0.38 -0.24 120.40 128.61 2hw0 s VAL 45 Ca 0.04 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2hw0 s VAL 45 Cb -0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2hw0 s VAL 45 CO -0.06 0.52 -0.15 -0.83 0.00 0.00 0.00 175.10 174.58 2hw0 s GLY 46 N -0.23 0.78 -0.04 4.51 0.00 -0.24 -0.77 107.32 111.34 2hw0 s GLY 46 Ca -0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 43.89 2hw0 s GLY 46 CO 0.02 -0.44 0.55 -0.54 0.00 0.00 0.00 173.10 172.69 2hw0 s GLU 47 N -0.18 4.29 -0.42 2.90 0.41 0.85 -2.30 118.70 124.25 2hw0 s GLU 47 Ca 0.02 0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 55.09 2hw0 s GLU 47 Cb -0.08 -3.36 0.05 0.00 -1.78 0.00 0.00 34.13 28.97 2hw0 s GLU 47 CO 0.00 0.34 0.29 -2.00 -0.49 0.00 0.00 175.26 173.40 2hw0 s GLU 48 N -0.03 2.83 -0.42 1.61 2.56 -0.46 -3.72 118.70 121.07 2hw0 s GLU 48 Ca 0.29 -1.26 0.09 0.00 0.00 0.00 0.00 54.97 54.09 2hw0 s GLU 48 Cb -0.17 -3.90 0.34 0.00 2.00 0.00 0.00 34.13 32.39 2hw0 s GLU 48 CO 0.15 -0.88 0.98 0.41 -0.56 0.00 0.00 175.26 175.36 2hw0 n GLY 49 N 5.06 1.77 0.99 -1.50 0.00 -1.26 -2.10 105.19 108.15 2hw0 n GLY 49 Ca -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 0.29 2.09 -3.53 1.61 4.05 -1.26 -4.96 115.26 113.55 2hw0 n ASN 50 Ca 0.13 -3.59 -0.23 0.00 0.45 0.00 0.00 54.58 51.34 2hw0 n ASN 50 Cb 0.69 -0.47 -0.14 0.00 1.23 0.00 0.00 39.78 41.09 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 -2.89 0.16 0.49 1.20 2.12 -1.26 -5.14 118.70 113.37 2hw0 s GLU 51 Ca 0.39 -0.07 -0.22 0.00 0.36 0.00 0.00 54.97 55.43 2hw0 s GLU 51 Cb 0.38 -1.37 -0.07 0.00 0.26 0.00 0.00 34.13 33.33 2hw0 s GLU 51 CO -0.07 -0.77 1.15 -1.83 -0.54 0.00 0.00 175.26 173.21 2hw0 s GLU 52 N 2.22 3.62 0.00 4.30 -1.05 -1.26 -3.13 118.70 123.40 2hw0 s GLU 52 Ca 0.06 1.72 0.00 0.00 -0.15 0.00 0.00 54.97 56.60 2hw0 s GLU 52 Cb -0.16 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2hw0 s GLU 52 CO -0.18 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 175.79 2hw0 n GLY 53 N 0.35 3.26 3.66 -3.83 0.00 -1.26 -5.02 105.19 102.36 2hw0 n GLY 53 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 2.29 0.52 1.61 3.52 -1.18 -5.13 118.95 120.02 2hw0 s ARG 54 Ca 0.00 -1.47 -0.08 0.00 -0.13 0.00 0.00 55.73 54.05 2hw0 s ARG 54 Cb 0.00 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2hw0 s ARG 54 CO 0.00 0.29 0.87 0.95 -0.81 0.00 0.00 175.30 176.61 2hw0 s THR 55 N -2.36 4.82 0.79 4.11 -4.23 -1.26 -4.92 115.64 112.58 2hw0 s THR 55 Ca 0.33 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2hw0 s THR 55 Cb -0.05 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 70.00 2hw0 s THR 55 CO 0.20 -0.92 1.09 -2.16 -0.54 0.00 0.00 174.62 172.29 2hw0 s PRO 56 N -4.80 2.15 0.00 3.99 0.04 -1.26 -4.78 135.00 130.33 2hw0 s PRO 56 Ca 0.51 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2hw0 s PRO 56 Cb -0.11 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 2hw0 s PRO 56 CO 0.47 -1.71 -0.00 -1.58 0.04 0.00 0.00 177.00 174.21 2hw0 s HIS 57 N -2.91 0.01 -0.35 0.56 2.46 -0.89 -0.10 115.29 114.07 2hw0 s HIS 57 Ca 0.61 -0.01 -0.18 0.00 0.47 0.00 0.00 55.06 55.95 2hw0 s HIS 57 Cb -0.17 -0.01 -0.00 0.00 -0.13 0.00 0.00 32.58 32.27 2hw0 s HIS 57 CO 0.56 -0.00 0.50 -1.17 -2.47 0.00 0.00 174.74 172.16 2hw0 s LEU 58 N -0.03 4.37 -0.18 8.88 0.20 -0.11 -1.35 118.68 130.46 2hw0 s LEU 58 Ca -0.00 -0.06 -0.00 0.00 0.69 0.00 0.00 54.13 54.75 2hw0 s LEU 58 Cb -0.00 -2.56 0.05 0.00 -0.43 0.00 0.00 46.19 43.24 2hw0 s LEU 58 CO -0.00 -0.47 -0.05 -1.58 -0.29 0.00 0.00 176.35 173.96 2hw0 s GLN 59 N 2.36 1.43 0.28 1.98 2.00 -0.97 -1.90 119.66 124.83 2hw0 s GLN 59 Ca 0.18 -0.58 -0.10 0.00 -2.00 0.00 0.00 55.36 52.86 2hw0 s GLN 59 Cb -0.16 -2.10 -0.00 0.00 0.80 0.00 0.00 33.01 31.55 2hw0 s GLN 59 CO 0.13 -0.47 0.48 0.20 -0.50 0.00 0.00 175.29 175.14 2hw0 s GLY 60 N 1.61 0.79 -0.02 2.59 0.00 -1.09 -1.08 107.32 110.13 2hw0 s GLY 60 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 2hw0 s GLY 60 CO -0.08 -0.73 0.05 -0.12 0.00 0.00 0.00 173.10 172.23 2hw0 s PHE 61 N -3.69 -0.04 0.04 1.90 5.36 0.66 -2.14 117.98 120.08 2hw0 s PHE 61 Ca 0.25 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 2hw0 s PHE 61 Cb -0.01 0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.66 2hw0 s PHE 61 CO 0.12 -0.05 -0.08 0.00 -1.46 0.00 0.00 175.22 173.75 2hw0 s ALA 62 N -0.11 0.62 -0.29 11.12 0.00 -0.94 -1.31 121.76 130.85 2hw0 s ALA 62 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2hw0 s ALA 62 Cb -0.01 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.14 2hw0 s ALA 62 CO 0.00 0.01 0.06 -0.80 0.00 0.00 0.00 175.76 175.03 2hw0 s ASN 63 N -1.44 5.02 0.01 0.00 0.01 0.11 -2.28 114.94 116.37 2hw0 s ASN 63 Ca -0.08 -0.81 -0.30 0.00 -0.71 0.00 0.00 52.86 50.96 2hw0 s ASN 63 Cb -0.09 -1.84 -0.06 0.00 0.41 0.00 0.00 41.25 39.67 2hw0 s ASN 63 CO 0.01 -0.20 1.39 -0.36 -1.51 0.00 0.00 177.10 176.42 2hw0 s PHE 64 N 1.45 2.92 0.48 2.20 0.08 0.11 -2.21 117.98 123.01 2hw0 s PHE 64 Ca 0.01 0.86 0.32 0.00 0.12 0.00 0.00 56.93 58.24 2hw0 s PHE 64 Cb -0.17 -3.65 1.73 0.00 -0.57 0.00 0.00 43.02 40.35 2hw0 s PHE 64 CO 0.01 -2.37 2.17 0.28 -0.10 0.00 0.00 175.22 175.21 2hw0 h VAL 65 N 4.85 0.41 -3.65 -0.44 2.07 -1.75 -3.42 116.25 114.31 2hw0 h VAL 65 Ca -0.38 -0.29 -0.52 0.00 0.82 0.00 0.00 66.70 66.33 2hw0 h VAL 65 Cb 1.18 1.20 -0.20 0.00 -1.52 0.00 0.00 31.29 31.96 2hw0 h VAL 65 CO 0.90 0.06 -0.80 -0.54 0.02 0.00 0.00 177.57 177.20 2hw0 s LYS 66 N -4.26 1.15 0.06 1.57 3.01 -1.26 -5.02 119.74 114.99 2hw0 s LYS 66 Ca -0.03 -1.25 -0.31 0.00 -1.01 0.00 0.00 55.97 53.37 2hw0 s LYS 66 Cb 0.13 -1.27 -0.10 0.00 -1.01 0.00 0.00 37.83 35.58 2hw0 s LYS 66 CO 0.54 0.28 1.92 1.63 0.51 0.00 0.00 175.35 180.22 2hw0 n LYS 67 N 0.74 2.80 -4.14 1.68 4.76 -1.26 -4.70 118.16 118.05 2hw0 n LYS 67 Ca -0.17 1.02 -0.14 0.00 -2.87 0.00 0.00 58.31 56.16 2hw0 n LYS 67 Cb 0.55 -2.95 -0.11 0.00 -1.84 0.00 0.00 35.03 30.68 2hw0 n LYS 67 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2hw0 s GLN 68 N 3.77 0.74 0.51 1.97 -1.52 -1.02 -4.89 119.66 119.21 2hw0 s GLN 68 Ca 0.86 -1.02 0.04 0.00 -1.95 0.00 0.00 55.36 53.29 2hw0 s GLN 68 Cb -0.47 -0.45 0.03 0.00 -0.22 0.00 0.00 33.01 31.90 2hw0 s GLN 68 CO 0.41 0.07 0.71 0.95 -0.25 0.00 0.00 175.29 177.18 2hw0 s THR 69 N -2.08 2.77 0.06 -0.19 -4.23 -1.26 -1.62 115.64 109.08 2hw0 s THR 69 Ca 0.00 -0.78 -0.27 0.00 -1.18 0.00 0.00 61.69 59.46 2hw0 s THR 69 Cb -0.05 -2.99 -0.17 0.00 1.34 0.00 0.00 72.50 70.63 2hw0 s THR 69 CO -0.00 0.00 1.59 0.15 -0.54 0.00 0.00 174.62 175.82 2hw0 h PHE 70 N 0.26 -0.39 -0.81 3.99 3.57 -1.96 0.29 116.94 121.88 2hw0 h PHE 70 Ca -0.41 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2hw0 h PHE 70 Cb 1.29 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 2hw0 h PHE 70 CO 0.37 -0.19 0.49 -0.97 -2.23 0.00 0.00 178.31 175.79 2hw0 h ASN 71 N -0.50 0.97 -0.01 0.41 -1.24 -2.00 -2.51 115.58 110.70 2hw0 h ASN 71 Ca -0.04 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2hw0 h ASN 71 Cb 0.37 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 2hw0 h ASN 71 CO 0.07 0.75 0.00 0.50 -1.29 0.00 0.00 177.43 177.46 2hw0 h LYS 72 N 1.11 0.02 -0.28 6.67 3.11 -1.92 -2.65 116.57 122.64 2hw0 h LYS 72 Ca 0.29 -0.01 0.08 0.00 -2.81 0.00 0.00 60.65 58.21 2hw0 h LYS 72 Cb -0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2hw0 h LYS 72 CO -0.06 0.28 0.35 0.28 -2.81 0.00 0.00 179.45 177.49 2hw0 h VAL 73 N -0.23 0.35 0.00 2.00 2.07 -0.23 0.31 116.25 120.51 2hw0 h VAL 73 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hw0 h VAL 73 Cb 0.26 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 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 -3.62 0.07 0.28 1.57 5.02 -0.96 -1.73 118.16 118.79 2hw0 n LYS 74 Ca 0.04 0.44 0.17 0.00 -2.02 0.00 0.00 58.31 56.94 2hw0 n LYS 74 Cb 0.49 -1.68 0.71 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.50 0.32 115.95 122.97 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 0.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.29 2hw0 h TRP 75 CO 0.00 0.00 -1.48 0.66 -1.28 0.00 0.00 178.44 176.34 2hw0 n TYR 76 N -3.05 0.00 0.59 0.12 4.01 -0.71 -4.61 117.16 113.50 2hw0 n TYR 76 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.29 -0.34 0.43 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 -3.45 0.29 -0.93 7.72 4.77 -0.94 -4.92 117.00 119.54 2hw0 n LEU 77 Ca -0.18 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.61 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.28 -0.36 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.46 -3.31 0.13 -0.72 0.00 0.10 -4.16 105.19 97.69 2hw0 n GLY 78 Ca 0.04 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.49 0.77 -0.73 4.61 0.00 -1.95 -3.17 119.26 118.30 2hw0 h ALA 79 Ca -0.08 -0.59 0.19 0.00 0.00 0.00 0.00 54.91 54.43 2hw0 h ALA 79 Cb 0.76 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2hw0 h ALA 79 CO 0.03 0.82 0.51 0.00 0.00 0.00 0.00 179.25 180.61 2hw0 h ARG 80 N 0.00 0.14 -5.85 0.00 3.08 -1.95 -3.40 114.38 106.41 2hw0 h ARG 80 Ca -0.01 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.38 2hw0 h ARG 80 Cb 1.28 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.22 2hw0 h ARG 80 CO 0.08 0.09 -0.52 0.00 -1.07 0.00 0.00 179.97 178.56 2hw0 s HIS 82 N -1.22 3.60 -0.05 0.00 2.46 -0.96 -4.85 115.29 114.27 2hw0 s HIS 82 Ca 0.23 1.47 0.03 0.00 0.47 0.00 0.00 55.06 57.26 2hw0 s HIS 82 Cb -0.12 -2.98 -0.03 0.00 -0.13 0.00 0.00 32.58 29.32 2hw0 s HIS 82 CO 0.14 0.01 -0.11 0.42 -2.47 0.00 0.00 174.74 172.73 2hw0 s ILE 83 N 1.05 3.33 0.14 0.89 1.01 -1.26 -1.63 121.20 124.72 2hw0 s ILE 83 Ca 0.45 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 2hw0 s ILE 83 Cb -0.19 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2hw0 s ILE 83 CO 0.22 0.58 0.20 -1.61 0.00 0.00 0.00 174.94 174.33 2hw0 s GLU 84 N -0.81 1.03 0.04 2.79 2.02 -0.83 -4.98 118.70 117.95 2hw0 s GLU 84 Ca 0.12 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.63 2hw0 s GLU 84 Cb -0.11 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 2hw0 s GLU 84 CO 0.01 -0.35 0.89 -1.59 0.02 0.00 0.00 175.26 174.25 2hw0 s LYS 85 N -3.97 4.58 0.44 1.61 -2.85 -1.26 -0.12 119.74 118.17 2hw0 s LYS 85 Ca 0.16 1.28 -0.07 0.00 -1.00 0.00 0.00 55.97 56.35 2hw0 s LYS 85 Cb 0.05 -3.41 -0.05 0.00 -2.06 0.00 0.00 37.83 32.36 2hw0 s LYS 85 CO -0.02 0.13 0.77 0.00 0.10 0.00 0.00 175.35 176.32 2hw0 s ALA 86 N 0.41 3.40 0.02 0.59 0.00 -1.26 -4.86 121.76 120.06 2hw0 s ALA 86 Ca 0.45 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2hw0 s ALA 86 Cb -0.21 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 2hw0 s ALA 86 CO 0.26 -0.20 -0.04 -1.59 0.00 0.00 0.00 175.76 174.19 2hw0 s LYS 87 N -4.38 0.30 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.58 2hw0 s LYS 87 Ca 0.48 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 2hw0 s LYS 87 Cb -0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 2hw0 s LYS 87 CO 0.40 0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.26 2hw0 n GLY 88 N 2.06 -0.31 3.87 0.59 0.00 -1.26 -4.83 105.19 105.31 2hw0 n GLY 88 Ca -0.20 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.47 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 2.13 0.26 2.61 -4.23 -1.26 -4.99 115.64 110.16 2hw0 s THR 89 Ca 0.00 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 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 1.89 -0.78 -0.54 0.00 0.00 174.62 175.19 2hw0 h ASP 90 N 0.96 1.07 -0.28 3.99 1.82 -1.83 -1.19 116.42 120.95 2hw0 h ASP 90 Ca -0.39 -0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.18 2hw0 h ASP 90 Cb 1.28 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 2hw0 h ASP 90 CO 0.59 0.70 -0.05 1.56 -1.61 0.00 0.00 179.24 180.43 2hw0 h GLN 91 N 1.22 0.65 -0.27 0.28 1.08 -1.96 0.28 115.11 116.39 2hw0 h GLN 91 Ca 0.41 -0.18 -0.15 0.00 -1.45 0.00 0.00 58.65 57.29 2hw0 h GLN 91 Cb 0.08 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2hw0 h GLN 91 CO -0.15 0.71 -0.43 1.96 -0.95 0.00 0.00 178.83 179.97 2hw0 h GLN 92 N 0.61 0.66 0.17 1.46 4.20 -1.68 -1.89 115.11 118.63 2hw0 h GLN 92 Ca 0.12 -0.35 -0.31 0.00 0.06 0.00 0.00 58.65 58.16 2hw0 h GLN 92 Cb 0.46 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.29 2hw0 h GLN 92 CO 0.02 0.96 -1.33 -0.91 -0.67 0.00 0.00 178.83 176.90 2hw0 h ASN 93 N 0.54 0.88 -0.23 1.46 -0.26 -0.96 -2.19 115.58 114.81 2hw0 h ASN 93 Ca 0.04 -0.85 -0.01 0.00 -0.56 0.00 0.00 56.30 54.92 2hw0 h ASN 93 Cb 0.96 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 2hw0 h ASN 93 CO 0.09 1.65 0.13 0.50 -1.06 0.00 0.00 177.43 178.74 2hw0 h LYS 94 N 0.24 0.33 -0.22 0.81 3.64 -0.46 -2.18 116.57 118.73 2hw0 h LYS 94 Ca -0.21 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 2hw0 h LYS 94 Cb 2.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 2hw0 h LYS 94 CO 0.25 0.31 -0.44 0.93 -2.27 0.00 0.00 179.45 178.23 2hw0 h GLU 95 N 0.27 0.55 -0.48 1.90 4.39 -1.45 -2.70 114.58 117.06 2hw0 h GLU 95 Ca 0.08 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.53 2hw0 h GLU 95 Cb 0.07 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2hw0 h GLU 95 CO -0.01 0.88 0.24 -0.92 -1.16 0.00 0.00 179.01 178.04 2hw0 h TYR 96 N 0.45 0.43 -0.25 4.33 3.20 -1.15 0.29 116.97 124.27 2hw0 h TYR 96 Ca 0.03 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2hw0 h TYR 96 Cb 0.95 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2hw0 h TYR 96 CO 0.04 0.21 -0.31 0.00 -1.64 0.00 0.00 178.16 176.46 2hw0 n SER 98 N -4.08 0.48 0.26 0.00 2.88 -0.79 -3.35 113.62 109.02 2hw0 n SER 98 Ca -0.01 0.55 0.17 0.00 -1.33 0.00 0.00 58.87 58.26 2hw0 n SER 98 Cb 0.45 -0.68 0.91 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.03 0.23 116.57 119.01 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hw0 h LYS 99 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.72 -3.46 114.58 116.38 2hw0 h GLU 100 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hw0 h GLU 100 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 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 1.47 2.94 -3.84 0.00 0.82 -4.56 105.19 102.37 2hw0 n GLY 101 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.24 1.08 -0.26 1.61 -0.87 -1.24 -5.05 114.94 106.96 2hw0 s ASN 102 Ca 0.00 -0.16 -0.07 0.00 -1.57 0.00 0.00 52.86 51.06 2hw0 s ASN 102 Cb 0.00 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.25 40.78 2hw0 s ASN 102 CO 0.00 -0.00 0.05 -0.76 -2.57 0.00 0.00 177.10 173.82 2hw0 s LEU 103 N 0.62 3.49 0.14 0.60 2.01 -1.26 -0.11 118.68 124.16 2hw0 s LEU 103 Ca -0.09 -0.42 0.16 0.00 0.01 0.00 0.00 54.13 53.79 2hw0 s LEU 103 Cb -0.12 -1.87 -0.07 0.00 0.01 0.00 0.00 46.19 44.13 2hw0 s LEU 103 CO 0.01 -0.09 1.03 0.25 1.01 0.00 0.00 176.35 178.56 2hw0 h LEU 104 N 8.22 0.00 -7.00 1.79 5.85 -1.23 -3.44 115.31 119.49 2hw0 h LEU 104 Ca -0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2hw0 h LEU 104 Cb 1.15 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.96 2hw0 h LEU 104 CO 0.59 0.52 0.17 -0.32 -0.34 0.00 0.00 178.44 179.06 2hw0 s MET 105 N -2.96 0.75 -0.24 1.25 0.00 -0.59 -4.96 119.30 112.54 2hw0 s MET 105 Ca -0.01 0.97 -0.03 0.00 0.00 0.00 0.00 55.69 56.62 2hw0 s MET 105 Cb 0.08 0.33 0.08 0.00 0.00 0.00 0.00 34.83 35.32 2hw0 s MET 105 CO 0.79 -0.10 0.09 -2.00 0.00 0.00 0.00 175.02 173.80 2hw0 s GLU 106 N 0.61 0.36 0.35 4.11 2.12 -1.26 -1.25 118.70 123.74 2hw0 s GLU 106 Ca -0.02 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.74 2hw0 s GLU 106 Cb -0.05 -1.70 0.02 0.00 0.26 0.00 0.00 34.13 32.66 2hw0 s GLU 106 CO -0.04 -0.83 0.61 0.00 -0.54 0.00 0.00 175.26 174.45 2hw0 n GLY 108 N -0.53 -3.05 3.68 0.00 0.00 -1.26 -2.37 105.19 101.66 2hw0 n GLY 108 Ca -0.03 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.03 3.25 -0.43 4.61 0.00 0.56 -4.85 121.76 123.87 2hw0 s ALA 109 Ca 0.00 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.10 2hw0 s ALA 109 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2hw0 s ALA 109 CO 0.00 0.28 1.75 -1.25 0.00 0.00 0.00 175.76 176.54 2hw0 s PRO 110 N -3.65 3.16 0.63 0.00 0.04 -1.26 -4.47 135.00 129.44 2hw0 s PRO 110 Ca 0.31 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2hw0 s PRO 110 Cb -0.07 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2hw0 s PRO 110 CO 0.21 -2.08 1.10 1.03 0.04 0.00 0.00 177.00 177.30 2hw0 s ARG 111 N 5.96 2.97 -0.09 4.56 1.81 -1.26 -5.00 118.95 127.91 2hw0 s ARG 111 Ca 0.72 1.38 -0.04 0.00 -1.72 0.00 0.00 55.73 56.08 2hw0 s ARG 111 Cb -0.18 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.31 2hw0 s ARG 111 CO 0.29 -1.11 -0.11 0.43 -0.68 0.00 0.00 175.30 174.12 2hw0 n SER 112 N -2.20 1.08 -3.59 0.23 7.64 -1.26 -4.37 113.62 111.15 2hw0 n SER 112 Ca 0.10 0.09 -0.21 0.00 1.01 0.00 0.00 58.87 59.86 2hw0 n SER 112 Cb 0.52 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 2hw0 n SER 112 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2hw0 n GLN 113 N -3.30 -4.48 -3.87 1.43 7.27 -1.26 -4.68 117.38 108.49 2hw0 n GLN 113 Ca -0.17 0.68 -0.09 0.00 0.07 0.00 0.00 57.00 57.48 2hw0 n GLN 113 Cb 0.63 -5.28 -0.07 0.00 2.41 0.00 0.00 30.24 27.94 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2hw0 s GLY 114 N -4.14 0.20 0.16 1.69 0.00 -1.26 -5.06 107.32 98.91 2hw0 s GLY 114 Ca 0.11 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.22 2hw0 s GLY 114 CO 0.79 -0.75 0.12 0.61 0.00 0.00 0.00 173.10 173.88 2hw0 n GLN 115 N -0.15 0.32 0.00 2.90 10.64 -1.26 -5.30 117.38 124.53 2hw0 n GLN 115 Ca -0.12 -1.59 0.08 0.00 -1.83 0.00 0.00 57.00 53.54 2hw0 n GLN 115 Cb 0.63 1.20 0.07 0.00 -0.86 0.00 0.00 30.24 31.27 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77