#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 3.43 -0.05 3.54 0.15 -1.26 -5.14 113.70 114.36 2hw0 s SER 3 Ca 0.00 -1.54 -0.09 0.00 0.70 0.00 0.00 55.95 55.02 2hw0 s SER 3 Cb 0.00 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 2hw0 s SER 3 CO 0.00 -0.73 0.24 -0.54 1.20 0.00 0.00 173.24 173.41 2hw0 s LYS 4 N -3.80 3.59 -0.53 5.44 -0.14 -1.26 -5.06 119.74 117.98 2hw0 s LYS 4 Ca 0.23 0.02 -0.11 0.00 -1.36 0.00 0.00 55.97 54.75 2hw0 s LYS 4 Cb 0.05 -3.17 0.13 0.00 -1.68 0.00 0.00 37.83 33.17 2hw0 s LYS 4 CO 0.12 0.72 0.42 0.15 -0.76 0.00 0.00 175.35 176.00 2hw0 s LYS 5 N -1.25 2.69 0.10 1.68 -0.14 -1.26 -5.06 119.74 116.51 2hw0 s LYS 5 Ca 0.21 -1.88 0.09 0.00 -1.36 0.00 0.00 55.97 53.03 2hw0 s LYS 5 Cb -0.13 -4.03 -0.04 0.00 -1.68 0.00 0.00 37.83 31.94 2hw0 s LYS 5 CO 0.10 -1.23 -0.23 -0.80 -0.76 0.00 0.00 175.35 172.43 2hw0 s ASN 6 N 2.67 2.78 0.00 2.83 0.01 -1.26 -5.14 114.94 116.82 2hw0 s ASN 6 Ca 0.07 -0.69 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 2hw0 s ASN 6 Cb -0.25 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.24 2hw0 s ASN 6 CO -0.01 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 2hw0 n GLY 7 N 1.10 3.79 3.38 0.66 0.00 -1.26 -5.15 105.19 107.72 2hw0 n GLY 7 Ca -0.19 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2hw0 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hw0 s ARG 8 N 4.72 1.56 -0.02 1.61 6.06 -1.26 -5.14 118.95 126.48 2hw0 s ARG 8 Ca 0.00 -1.26 -0.00 0.00 -2.50 0.00 0.00 55.73 51.97 2hw0 s ARG 8 Cb 0.00 -1.94 0.03 0.00 0.06 0.00 0.00 34.95 33.10 2hw0 s ARG 8 CO 0.00 0.47 0.04 -1.12 -2.50 0.00 0.00 175.30 172.19 2hw0 s SER 9 N -1.80 0.05 0.00 -2.12 0.01 -1.26 -5.09 113.70 103.50 2hw0 s SER 9 Ca 0.14 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2hw0 s SER 9 Cb -0.10 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2hw0 s SER 9 CO 0.05 -0.12 0.08 0.61 0.41 0.00 0.00 173.24 174.27 2hw0 n GLY 10 N 4.09 -0.61 3.69 3.44 0.00 -1.26 -4.83 105.19 109.71 2hw0 n GLY 10 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.10 4.27 0.25 1.61 0.04 -1.26 -5.03 135.00 133.79 2hw0 s PRO 11 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2hw0 s PRO 11 Cb 0.00 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 2hw0 s PRO 11 CO 0.00 -0.59 0.34 -0.65 0.04 0.00 0.00 177.00 176.14 2hw0 s GLN 12 N 2.37 3.30 0.57 4.56 -0.21 -1.26 -4.96 119.66 124.02 2hw0 s GLN 12 Ca 0.65 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 55.00 2hw0 s GLN 12 Cb -0.33 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 2hw0 s GLN 12 CO 0.27 0.39 1.12 -1.25 -2.12 0.00 0.00 175.29 173.70 2hw0 s PRO 13 N -3.97 3.22 0.32 2.91 0.04 -1.26 -4.88 135.00 131.37 2hw0 s PRO 13 Ca 0.35 1.55 0.06 0.00 0.04 0.00 0.00 61.00 63.00 2hw0 s PRO 13 Cb -0.09 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2hw0 s PRO 13 CO 0.28 -0.95 0.25 -1.01 0.04 0.00 0.00 177.00 175.62 2hw0 s HIS 14 N -1.92 1.70 -0.42 0.56 3.76 -0.44 -4.71 115.29 113.81 2hw0 s HIS 14 Ca 0.71 -1.61 0.15 0.00 -0.15 0.00 0.00 55.06 54.16 2hw0 s HIS 14 Cb -0.23 -0.73 0.71 0.00 1.11 0.00 0.00 32.58 33.45 2hw0 s HIS 14 CO 0.31 -0.81 1.63 0.36 -0.85 0.00 0.00 174.74 175.37 2hw0 n LYS 15 N -0.60 4.11 -3.72 1.40 0.00 -1.26 -2.29 118.16 115.81 2hw0 n LYS 15 Ca 0.06 -3.00 -0.15 0.00 -0.00 0.00 0.00 58.31 55.22 2hw0 n LYS 15 Cb 0.63 -2.06 -0.15 0.00 -0.00 0.00 0.00 35.03 33.45 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 -0.13 -1.58 0.52 -1.26 0.06 118.95 114.04 2hw0 s ARG 16 Ca 0.50 0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 56.01 2hw0 s ARG 16 Cb 0.37 -0.26 0.04 0.00 0.52 0.00 0.00 34.95 35.63 2hw0 s ARG 16 CO 0.16 -0.23 0.34 -1.58 0.02 0.00 0.00 175.30 174.01 2hw0 s TRP 17 N 1.61 -0.42 0.28 -0.53 0.52 -0.93 -4.05 118.94 115.43 2hw0 s TRP 17 Ca -0.04 0.98 0.08 0.00 0.02 0.00 0.00 56.10 57.14 2hw0 s TRP 17 Cb -0.12 0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.31 2hw0 s TRP 17 CO -0.05 -0.23 0.17 0.14 0.02 0.00 0.00 176.95 176.99 2hw0 s VAL 18 N 0.67 3.89 0.02 4.03 -7.23 0.77 -1.96 120.40 120.59 2hw0 s VAL 18 Ca -0.04 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 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 -0.04 -0.30 -0.06 0.72 -0.31 0.00 0.00 175.10 175.10 2hw0 s PHE 19 N -2.24 0.52 -0.15 2.82 -0.71 -0.96 -1.80 117.98 115.46 2hw0 s PHE 19 Ca 0.35 -0.27 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 2hw0 s PHE 19 Cb -0.07 -0.32 0.06 0.00 -1.21 0.00 0.00 43.02 41.48 2hw0 s PHE 19 CO 0.24 -0.05 0.34 0.95 -1.34 0.00 0.00 175.22 175.37 2hw0 s THR 20 N -0.68 -0.09 -0.01 -4.49 -4.23 0.38 -2.60 115.64 103.92 2hw0 s THR 20 Ca -0.04 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2hw0 s THR 20 Cb -0.06 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.27 2hw0 s THR 20 CO 0.00 0.05 0.01 -0.22 -0.54 0.00 0.00 174.62 173.92 2hw0 s LEU 21 N 1.48 1.74 0.06 4.79 2.96 -0.93 -1.39 118.68 127.39 2hw0 s LEU 21 Ca -0.08 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.58 2hw0 s LEU 21 Cb -0.10 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 2hw0 s LEU 21 CO -0.11 -0.04 0.81 0.54 -1.32 0.00 0.00 176.35 176.23 2hw0 s ASN 22 N 0.30 7.27 -0.90 3.68 4.22 -1.26 -0.87 114.94 127.38 2hw0 s ASN 22 Ca -0.02 1.52 -0.07 0.00 -2.14 0.00 0.00 52.86 52.15 2hw0 s ASN 22 Cb -0.04 -2.50 -0.01 0.00 1.28 0.00 0.00 41.25 39.99 2hw0 s ASN 22 CO -0.01 -0.01 0.71 -3.20 -2.04 0.00 0.00 177.10 172.56 2hw0 n ASN 23 N 2.84 -6.17 -4.77 3.54 4.05 0.89 -4.91 115.26 110.73 2hw0 n ASN 23 Ca -0.01 -0.65 -0.40 0.00 0.45 0.00 0.00 54.58 53.97 2hw0 n ASN 23 Cb 0.50 -3.69 -0.03 0.00 1.23 0.00 0.00 39.78 37.79 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 4.32 0.35 1.20 0.04 -1.25 -5.01 135.00 130.11 2hw0 s PRO 24 Ca 0.17 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2hw0 s PRO 24 Cb -0.06 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2hw0 s PRO 24 CO 0.82 -0.14 0.60 -1.12 0.04 0.00 0.00 177.00 177.20 2hw0 s SER 25 N -0.79 6.35 0.52 6.66 0.01 -1.26 -4.92 113.70 120.28 2hw0 s SER 25 Ca 0.51 0.66 0.20 0.00 1.31 0.00 0.00 55.95 58.62 2hw0 s SER 25 Cb -0.35 -2.12 1.32 0.00 0.21 0.00 0.00 66.02 65.08 2hw0 s SER 25 CO 0.45 -0.31 2.09 1.05 0.41 0.00 0.00 173.24 176.93 2hw0 h GLU 26 N 1.02 0.00 -0.02 12.44 4.11 -1.98 0.40 114.58 130.55 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 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 -0.06 0.22 0.07 0.00 0.00 179.01 179.87 2hw0 h ASP 27 N 0.00 0.09 -0.21 3.06 3.58 -1.98 -1.69 116.42 119.26 2hw0 h ASP 27 Ca 0.10 -0.61 -0.02 0.00 0.42 0.00 0.00 57.03 56.92 2hw0 h ASP 27 Cb 0.39 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2hw0 h ASP 27 CO -0.00 0.68 0.06 -0.08 -2.88 0.00 0.00 179.24 177.03 2hw0 h GLU 28 N -0.50 0.33 -0.37 0.28 4.57 -1.80 -1.40 114.58 115.68 2hw0 h GLU 28 Ca -0.00 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2hw0 h GLU 28 Cb 0.67 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2hw0 h GLU 28 CO 0.01 0.42 0.11 0.00 -1.18 0.00 0.00 179.01 178.38 2hw0 h ARG 29 N 0.17 0.53 -0.28 1.92 3.08 -1.03 -2.31 114.38 116.47 2hw0 h ARG 29 Ca 0.07 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2hw0 h ARG 29 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2hw0 h ARG 29 CO -0.00 0.47 -0.45 0.87 -1.07 0.00 0.00 179.97 179.79 2hw0 h LYS 30 N 0.52 0.71 0.20 0.04 1.57 -1.03 -0.68 116.57 117.90 2hw0 h LYS 30 Ca 0.13 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2hw0 h LYS 30 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2hw0 h LYS 30 CO -0.01 1.01 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.57 2hw0 h LYS 31 N 0.57 -0.26 -0.56 3.15 3.64 -0.72 0.30 116.57 122.69 2hw0 h LYS 31 Ca 0.04 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 2hw0 h LYS 31 Cb 1.00 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2hw0 h LYS 31 CO 0.09 -0.10 -0.07 0.82 -2.27 0.00 0.00 179.45 177.93 2hw0 h ILE 32 N -0.37 1.27 0.00 2.00 2.04 -1.48 -2.13 117.51 118.83 2hw0 h ILE 32 Ca -0.03 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 2hw0 h ILE 32 Cb 0.29 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2hw0 h ILE 32 CO 0.05 0.44 -0.06 -0.09 0.00 0.00 0.00 178.15 178.48 2hw0 h ARG 33 N 0.92 0.00 -0.61 2.37 2.43 -1.01 -2.42 114.38 116.06 2hw0 h ARG 33 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2hw0 h ARG 33 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2hw0 h ARG 33 CO 0.04 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.09 2hw0 n ASP 34 N -3.17 3.66 -4.72 -3.80 2.03 0.11 -4.98 116.55 105.67 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 0.35 -0.40 0.13 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.16 2.87 -0.10 -2.67 1.43 -0.84 -4.93 118.68 113.28 2hw0 s LEU 35 Ca 0.45 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 2hw0 s LEU 35 Cb 0.24 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.32 -2.61 1.53 -2.16 0.23 0.00 0.00 176.35 173.66 2hw0 s PRO 36 N -4.78 4.16 0.26 1.29 0.04 -1.26 -4.91 135.00 129.81 2hw0 s PRO 36 Ca 0.64 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.70 2hw0 s PRO 36 Cb -0.20 -3.92 0.33 0.00 0.04 0.00 0.00 34.50 30.75 2hw0 s PRO 36 CO 0.57 -0.85 1.63 -0.84 0.04 0.00 0.00 177.00 177.55 2hw0 h ILE 37 N 5.60 1.33 0.00 0.56 3.07 -1.91 -2.68 117.51 123.48 2hw0 h ILE 37 Ca -0.35 -1.69 0.00 0.00 1.55 0.00 0.00 64.86 64.38 2hw0 h ILE 37 Cb 1.15 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 2hw0 h ILE 37 CO 0.96 0.51 0.00 0.28 -1.05 0.00 0.00 178.15 178.85 2hw0 h SER 38 N 0.25 0.00 0.97 2.16 0.02 -1.99 -2.34 113.55 112.63 2hw0 h SER 38 Ca 0.01 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 2hw0 h SER 38 Cb 0.94 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2hw0 h SER 38 CO 0.08 0.00 -0.74 0.25 -1.14 0.00 0.00 176.83 175.28 2hw0 h LEU 39 N 0.00 0.00 -7.73 5.07 6.46 -1.88 -3.42 115.31 113.81 2hw0 h LEU 39 Ca 0.00 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.16 2hw0 h LEU 39 Cb 0.37 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.92 2hw0 h LEU 39 CO 0.00 0.74 -0.80 -0.36 -0.62 0.00 0.00 178.44 177.39 2hw0 s PHE 40 N -3.10 2.28 0.53 1.25 0.40 -0.88 -2.49 117.98 115.97 2hw0 s PHE 40 Ca 0.01 -1.52 0.30 0.00 -0.60 0.00 0.00 56.93 55.12 2hw0 s PHE 40 Cb 0.10 -1.57 1.46 0.00 0.51 0.00 0.00 43.02 43.53 2hw0 s PHE 40 CO 0.77 -0.72 1.91 -0.44 0.70 0.00 0.00 175.22 177.44 2hw0 h ASP 41 N 8.00 0.01 -3.37 1.36 3.32 -1.67 -3.38 116.42 120.69 2hw0 h ASP 41 Ca -0.25 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.40 2hw0 h ASP 41 Cb 1.10 -0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 2hw0 h ASP 41 CO 0.45 0.00 -0.76 -0.47 -1.72 0.00 0.00 179.24 176.75 2hw0 s TYR 42 N -4.99 0.49 -0.14 4.55 5.04 -1.25 -1.32 117.35 119.74 2hw0 s TYR 42 Ca -0.05 -0.06 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 2hw0 s TYR 42 Cb 0.21 -0.62 0.04 0.00 0.35 0.00 0.00 41.96 41.95 2hw0 s TYR 42 CO 0.77 -0.23 -0.00 0.12 -1.34 0.00 0.00 175.55 174.87 2hw0 s PHE 43 N 1.54 1.05 -0.09 4.97 2.19 -1.02 -0.05 117.98 126.57 2hw0 s PHE 43 Ca -0.02 -0.63 -0.02 0.00 0.33 0.00 0.00 56.93 56.59 2hw0 s PHE 43 Cb -0.13 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.60 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.85 0.21 0.01 3.12 2.07 -0.40 -1.13 121.20 126.92 2hw0 s ILE 44 Ca 0.02 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.43 2hw0 s ILE 44 Cb -0.15 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.12 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.16 2hw0 s VAL 45 N 2.03 1.86 -0.01 4.00 1.01 -0.63 0.07 120.40 128.73 2hw0 s VAL 45 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2hw0 s VAL 45 Cb -0.13 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2hw0 s VAL 45 CO -0.05 0.43 -0.08 -0.83 0.00 0.00 0.00 175.10 174.56 2hw0 s GLY 46 N -0.81 0.44 -0.13 4.51 0.00 -0.72 -0.73 107.32 109.88 2hw0 s GLY 46 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.44 2hw0 s GLY 46 CO 0.00 -0.21 -0.01 1.85 0.00 0.00 0.00 173.10 174.73 2hw0 s GLU 47 N -0.05 3.44 -0.01 2.90 -6.30 -0.07 -2.29 118.70 116.32 2hw0 s GLU 47 Ca 0.01 -0.45 0.06 0.00 -2.50 0.00 0.00 54.97 52.09 2hw0 s GLU 47 Cb -0.05 -2.91 -0.02 0.00 0.00 0.00 0.00 34.13 31.15 2hw0 s GLU 47 CO -0.00 0.44 -0.20 -1.83 0.02 0.00 0.00 175.26 173.69 2hw0 s GLU 48 N -0.14 1.57 0.00 4.30 -1.05 -0.93 -4.16 118.70 118.28 2hw0 s GLU 48 Ca 0.04 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 2hw0 s GLU 48 Cb -0.13 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 2hw0 s GLU 48 CO 0.02 0.42 0.00 0.41 0.95 0.00 0.00 175.26 177.06 2hw0 n GLY 49 N 2.51 -1.69 0.95 -3.83 0.00 -1.26 -0.47 105.19 101.40 2hw0 n GLY 49 Ca -0.15 0.68 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 2.31 -3.94 1.61 4.05 -1.26 -4.87 115.26 113.16 2hw0 n ASN 50 Ca 0.00 -3.76 -0.31 0.00 0.45 0.00 0.00 54.58 50.96 2hw0 n ASN 50 Cb 0.00 -0.48 -0.15 0.00 1.23 0.00 0.00 39.78 40.38 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2hw0 s GLU 51 N -3.16 1.56 0.39 1.20 0.41 -1.26 -5.11 118.70 112.73 2hw0 s GLU 51 Ca 0.40 -1.18 -0.25 0.00 -0.41 0.00 0.00 54.97 53.53 2hw0 s GLU 51 Cb 0.38 -2.66 -0.11 0.00 -1.78 0.00 0.00 34.13 29.96 2hw0 s GLU 51 CO -0.05 -0.69 1.02 -1.91 -0.49 0.00 0.00 175.26 173.14 2hw0 n GLU 52 N 4.60 1.40 0.00 1.61 2.13 -1.26 -1.66 120.64 127.46 2hw0 n GLU 52 Ca -0.08 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2hw0 n GLU 52 Cb 0.43 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 1.17 2.77 3.67 8.31 0.00 -1.26 -5.02 105.19 114.83 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 -0.55 2.27 0.24 1.61 3.52 -0.67 -5.14 118.95 120.23 2hw0 s ARG 54 Ca 0.00 -1.53 0.04 0.00 -0.13 0.00 0.00 55.73 54.11 2hw0 s ARG 54 Cb 0.00 -2.11 -0.03 0.00 -1.56 0.00 0.00 34.95 31.25 2hw0 s ARG 54 CO 0.00 0.23 0.37 0.95 -0.81 0.00 0.00 175.30 176.04 2hw0 s THR 55 N -2.40 5.25 0.84 4.11 -4.23 -1.26 -4.84 115.64 113.11 2hw0 s THR 55 Ca 0.34 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 2hw0 s THR 55 Cb -0.04 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 70.05 2hw0 s THR 55 CO 0.21 -0.33 1.09 -2.16 -0.54 0.00 0.00 174.62 172.89 2hw0 s PRO 56 N -3.95 1.72 -0.00 3.99 0.04 -1.26 -4.77 135.00 130.77 2hw0 s PRO 56 Ca 0.35 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 2hw0 s PRO 56 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2hw0 s PRO 56 CO 0.30 -1.96 0.01 -1.58 0.04 0.00 0.00 177.00 173.80 2hw0 s HIS 57 N -2.92 -0.00 -0.09 0.56 2.46 0.38 -0.08 115.29 115.59 2hw0 s HIS 57 Ca 0.62 0.03 -0.15 0.00 0.47 0.00 0.00 55.06 56.03 2hw0 s HIS 57 Cb -0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.56 -0.01 0.38 -1.17 -2.47 0.00 0.00 174.74 172.03 2hw0 s LEU 58 N 0.13 4.34 -0.26 8.88 0.20 -0.05 -2.20 118.68 129.73 2hw0 s LEU 58 Ca -0.01 0.75 -0.03 0.00 0.69 0.00 0.00 54.13 55.52 2hw0 s LEU 58 Cb -0.02 -2.52 0.14 0.00 -0.43 0.00 0.00 46.19 43.36 2hw0 s LEU 58 CO -0.00 0.16 0.46 -1.58 -0.29 0.00 0.00 176.35 175.09 2hw0 s GLN 59 N -0.07 0.42 0.30 1.98 2.00 -0.97 -2.18 119.66 121.14 2hw0 s GLN 59 Ca 0.22 0.78 -0.10 0.00 -2.00 0.00 0.00 55.36 54.26 2hw0 s GLN 59 Cb -0.15 -0.01 0.01 0.00 0.80 0.00 0.00 33.01 33.66 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 2.66 0.81 -0.00 2.59 0.00 -1.07 -1.75 107.32 110.55 2hw0 s GLY 60 Ca 0.12 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.82 2hw0 s GLY 60 CO -0.17 -0.68 -0.11 -0.12 0.00 0.00 0.00 173.10 172.02 2hw0 s PHE 61 N -3.41 0.95 -0.06 1.90 5.36 0.11 -2.28 117.98 120.56 2hw0 s PHE 61 Ca 0.24 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2hw0 s PHE 61 Cb -0.01 -0.61 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 2hw0 s PHE 61 CO 0.13 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.85 2hw0 s ALA 62 N -0.31 0.68 -0.37 11.12 0.00 -0.83 -1.28 121.76 130.77 2hw0 s ALA 62 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2hw0 s ALA 62 Cb -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.20 0.64 1.21 0.00 0.00 0.00 175.76 177.40 2hw0 s ASN 63 N 1.35 6.41 0.06 0.00 3.84 0.92 -2.18 114.94 125.33 2hw0 s ASN 63 Ca -0.04 0.06 -0.31 0.00 0.21 0.00 0.00 52.86 52.78 2hw0 s ASN 63 Cb -0.13 -2.32 -0.06 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.63 1.35 -0.36 -2.79 0.00 0.00 177.10 174.65 2hw0 s PHE 64 N 2.73 3.15 0.56 0.43 0.08 0.11 -2.50 117.98 122.54 2hw0 s PHE 64 Ca 0.24 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.58 2hw0 s PHE 64 Cb -0.14 -3.61 1.78 0.00 -0.57 0.00 0.00 43.02 40.47 2hw0 s PHE 64 CO 0.16 -2.14 2.23 0.28 -0.10 0.00 0.00 175.22 175.65 2hw0 h VAL 65 N 4.56 0.52 -4.06 -0.44 2.07 -1.76 -3.42 116.25 113.72 2hw0 h VAL 65 Ca -0.40 -0.10 -0.25 0.00 0.82 0.00 0.00 66.70 66.77 2hw0 h VAL 65 Cb 1.20 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2hw0 h VAL 65 CO 0.87 0.02 -0.20 2.29 0.02 0.00 0.00 177.57 180.57 2hw0 n LYS 66 N -3.79 1.09 -3.13 1.57 0.00 -1.26 -5.01 118.16 107.63 2hw0 n LYS 66 Ca -0.03 -1.49 -0.40 0.00 -0.00 0.00 0.00 58.31 56.39 2hw0 n LYS 66 Cb 0.11 0.63 -0.06 0.00 -0.00 0.00 0.00 35.03 35.71 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hw0 s LYS 67 N -2.70 4.21 0.06 -1.58 2.47 -1.26 -4.20 119.74 116.73 2hw0 s LYS 67 Ca 0.05 0.60 0.03 0.00 -1.56 0.00 0.00 55.97 55.08 2hw0 s LYS 67 Cb 0.00 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 2hw0 s LYS 67 CO 0.04 -0.24 -0.08 -0.65 0.16 0.00 0.00 175.35 174.57 2hw0 s GLN 68 N 1.91 0.65 0.56 4.03 -0.21 -0.97 -4.87 119.66 120.76 2hw0 s GLN 68 Ca 0.28 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.75 2hw0 s GLN 68 Cb -0.16 -0.36 0.05 0.00 1.00 0.00 0.00 33.01 33.55 2hw0 s GLN 68 CO 0.10 0.05 0.78 0.95 -2.12 0.00 0.00 175.29 175.06 2hw0 s THR 69 N -1.92 2.59 0.06 -0.19 -4.23 -1.26 -1.33 115.64 109.36 2hw0 s THR 69 Ca -0.03 -0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 2hw0 s THR 69 Cb -0.06 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.73 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 0.06 -0.50 -0.77 3.99 3.57 -1.93 0.31 116.94 121.67 2hw0 h PHE 70 Ca -0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 2hw0 h PHE 70 Cb 1.29 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2hw0 h PHE 70 CO 0.29 -0.27 0.44 -0.97 -2.23 0.00 0.00 178.31 175.57 2hw0 h ASN 71 N -0.63 0.96 -0.04 0.41 -0.00 -2.00 -2.63 115.58 111.64 2hw0 h ASN 71 Ca -0.06 -0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.15 2hw0 h ASN 71 Cb 0.46 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.54 2hw0 h ASN 71 CO 0.09 0.77 0.01 0.50 -0.00 0.00 0.00 177.43 178.80 2hw0 h LYS 72 N 1.07 0.06 -0.37 6.67 3.11 -1.93 -2.59 116.57 122.59 2hw0 h LYS 72 Ca 0.27 -0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.21 2hw0 h LYS 72 Cb 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2hw0 h LYS 72 CO -0.05 0.27 0.39 0.28 -2.81 0.00 0.00 179.45 177.53 2hw0 h VAL 73 N -0.15 0.42 0.00 2.00 2.07 -0.20 0.35 116.25 120.74 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 0.24 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 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 -3.79 0.06 0.28 1.57 5.02 -0.98 -1.65 118.16 118.67 2hw0 n LYS 74 Ca 0.06 0.44 0.17 0.00 -2.02 0.00 0.00 58.31 56.96 2hw0 n LYS 74 Cb 0.56 -1.66 0.67 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.41 -0.33 115.95 122.41 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 0.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2hw0 h TRP 75 CO 0.00 0.00 -1.39 0.66 -1.28 0.00 0.00 178.44 176.43 2hw0 n TYR 76 N -3.10 0.00 0.01 0.12 4.01 -0.66 -4.72 117.16 112.83 2hw0 n TYR 76 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2hw0 n TYR 76 Cb 0.31 -0.31 0.10 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.32 0.56 0.00 7.72 3.38 -1.55 -3.47 115.31 121.62 2hw0 h LEU 77 Ca -0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2hw0 h LEU 77 Cb 1.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2hw0 h LEU 77 CO -0.13 0.94 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2hw0 n GLY 78 N 0.07 0.04 0.15 0.83 0.00 -0.14 -4.58 105.19 101.57 2hw0 n GLY 78 Ca -0.02 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.93 4.61 0.00 -1.97 -3.20 119.26 118.58 2hw0 h ALA 79 Ca 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 54.91 54.63 2hw0 h ALA 79 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2hw0 h ALA 79 CO 0.00 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.49 2hw0 h ARG 80 N 0.00 0.56 -5.76 0.00 2.47 -1.95 -3.40 114.38 106.30 2hw0 h ARG 80 Ca -0.01 -0.03 -0.67 0.00 -1.26 0.00 0.00 59.98 58.01 2hw0 h ARG 80 Cb 1.17 -0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 29.27 2hw0 h ARG 80 CO 0.07 0.37 -0.52 0.00 0.56 0.00 0.00 179.97 180.44 2hw0 s HIS 82 N -1.03 3.43 0.06 0.00 2.46 -0.48 -4.83 115.29 114.91 2hw0 s HIS 82 Ca 0.16 1.47 0.08 0.00 0.47 0.00 0.00 55.06 57.24 2hw0 s HIS 82 Cb -0.12 -3.27 -0.03 0.00 -0.13 0.00 0.00 32.58 29.03 2hw0 s HIS 82 CO 0.05 -0.61 -0.18 0.96 -2.47 0.00 0.00 174.74 172.49 2hw0 s ILE 83 N 1.82 2.80 0.15 0.89 -4.36 -1.26 -0.47 121.20 120.77 2hw0 s ILE 83 Ca 0.52 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 59.53 2hw0 s ILE 83 Cb -0.22 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.29 2hw0 s ILE 83 CO 0.22 0.27 0.31 -0.70 0.24 0.00 0.00 174.94 175.28 2hw0 s GLU 84 N -1.63 1.14 0.10 0.37 2.12 -0.75 -4.97 118.70 115.08 2hw0 s GLU 84 Ca 0.16 -1.06 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 2hw0 s GLU 84 CO 0.07 -0.42 1.11 0.15 -0.54 0.00 0.00 175.26 175.62 2hw0 s LYS 85 N -3.93 4.53 0.48 4.30 1.02 -1.26 -0.16 119.74 124.73 2hw0 s LYS 85 Ca 0.13 1.68 -0.08 0.00 0.02 0.00 0.00 55.97 57.72 2hw0 s LYS 85 Cb 0.03 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2hw0 s LYS 85 CO -0.03 -0.06 0.83 0.00 -0.92 0.00 0.00 175.35 175.17 2hw0 s ALA 86 N 0.44 3.32 0.01 5.17 0.00 -1.26 -4.86 121.76 124.58 2hw0 s ALA 86 Ca 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 2hw0 s ALA 86 Cb -0.28 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2hw0 s ALA 86 CO 0.31 -0.29 0.01 -1.59 0.00 0.00 0.00 175.76 174.20 2hw0 s LYS 87 N -4.50 0.22 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.39 2hw0 s LYS 87 Ca 0.50 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 2hw0 s LYS 87 Cb -0.10 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2hw0 s LYS 87 CO 0.41 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.23 2hw0 n GLY 88 N 2.16 -0.91 3.95 0.59 0.00 -1.26 -4.74 105.19 104.98 2hw0 n GLY 88 Ca -0.19 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.85 2.17 0.28 2.61 -4.23 -1.26 -4.82 115.64 109.54 2hw0 s THR 89 Ca 0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2hw0 s THR 89 Cb 0.00 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.25 2hw0 s THR 89 CO 0.00 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.68 2hw0 h ASP 90 N -0.86 0.92 -0.07 3.99 3.04 -1.81 -0.47 116.42 121.17 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -3.24 0.00 0.00 57.03 53.29 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.42 2hw0 h ASP 90 CO 0.49 0.49 -0.38 1.56 -2.04 0.00 0.00 179.24 179.36 2hw0 h GLN 91 N 0.99 0.58 -0.45 4.15 1.08 -1.93 -0.75 115.11 118.79 2hw0 h GLN 91 Ca 0.49 -0.28 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 2hw0 h GLN 91 Cb 0.47 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2hw0 h GLN 91 CO -0.26 0.87 -0.05 1.96 -0.95 0.00 0.00 178.83 180.39 2hw0 h GLN 92 N 0.48 0.76 0.03 1.46 4.20 -1.49 0.04 115.11 120.60 2hw0 h GLN 92 Ca 0.05 -0.23 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 2hw0 h GLN 92 Cb 0.88 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.59 2hw0 h GLN 92 CO 0.08 0.81 -0.57 -0.91 -0.67 0.00 0.00 178.83 177.56 2hw0 h ASN 93 N 0.71 0.45 -0.55 1.46 -0.26 -1.10 -1.67 115.58 114.61 2hw0 h ASN 93 Ca 0.13 -0.82 -0.01 0.00 -0.56 0.00 0.00 56.30 55.04 2hw0 h ASN 93 Cb 0.51 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.61 2hw0 h ASN 93 CO 0.03 1.21 0.29 0.50 -1.06 0.00 0.00 177.43 178.40 2hw0 h LYS 94 N -0.27 0.77 -0.15 0.81 3.64 -1.09 -2.51 116.57 117.78 2hw0 h LYS 94 Ca -0.08 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.05 2hw0 h LYS 94 Cb 1.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2hw0 h LYS 94 CO 0.11 0.61 -0.55 1.49 -2.27 0.00 0.00 179.45 178.84 2hw0 h GLU 95 N 0.73 0.46 -0.07 1.90 4.22 -1.08 -2.47 114.58 118.27 2hw0 h GLU 95 Ca 0.19 -0.29 0.03 0.00 0.08 0.00 0.00 59.36 59.37 2hw0 h GLU 95 Cb 0.07 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2hw0 h GLU 95 CO -0.03 0.89 -0.11 -0.92 -2.18 0.00 0.00 179.01 176.66 2hw0 h TYR 96 N 0.35 -0.28 -0.20 0.92 5.03 -0.98 -1.02 116.97 120.79 2hw0 h TYR 96 Ca 0.01 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 2hw0 h TYR 96 Cb 1.08 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 2hw0 h TYR 96 CO 0.04 -0.17 -0.33 0.00 -1.32 0.00 0.00 178.16 176.38 2hw0 n SER 98 N -4.08 0.25 0.21 0.00 2.88 -0.86 -2.82 113.62 109.21 2hw0 n SER 98 Ca -0.01 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.27 2hw0 n SER 98 Cb 0.45 -0.61 0.84 0.00 -0.75 0.00 0.00 64.21 64.14 2hw0 n SER 98 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2hw0 h LYS 99 N 0.00 0.00 0.00 -1.46 5.09 -0.62 0.29 116.57 119.87 2hw0 h LYS 99 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.67 2hw0 h LYS 99 Cb 0.29 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.61 2hw0 h LYS 99 CO 0.00 0.00 -0.32 0.93 -2.09 0.00 0.00 179.45 177.97 2hw0 h GLU 100 N 0.00 0.00 0.00 0.07 4.39 -1.74 -3.47 114.58 113.84 2hw0 h GLU 100 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2hw0 h GLU 100 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2hw0 h GLU 100 CO -0.00 0.32 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 2hw0 n GLY 101 N 0.31 1.64 2.84 -3.84 0.00 0.10 -4.88 105.19 101.36 2hw0 n GLY 101 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.09 1.41 -0.20 1.61 2.47 -1.26 -5.10 114.94 110.77 2hw0 s ASN 102 Ca 0.00 -0.13 -0.12 0.00 0.42 0.00 0.00 52.86 53.03 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 0.23 -0.76 -3.72 0.00 0.00 177.10 172.72 2hw0 s LEU 103 N 1.52 4.18 0.13 3.21 1.43 -1.26 -0.89 118.68 127.00 2hw0 s LEU 103 Ca -0.01 0.33 0.16 0.00 -1.03 0.00 0.00 54.13 53.57 2hw0 s LEU 103 Cb -0.13 -2.25 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 2hw0 s LEU 103 CO -0.03 0.08 1.03 0.25 0.23 0.00 0.00 176.35 177.91 2hw0 h LEU 104 N 7.07 0.00 -7.06 1.79 7.12 -1.22 -3.45 115.31 119.56 2hw0 h LEU 104 Ca -0.39 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.58 2hw0 h LEU 104 Cb 1.16 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.07 2hw0 h LEU 104 CO 0.72 0.54 0.02 -0.32 -0.13 0.00 0.00 178.44 179.27 2hw0 s MET 105 N -2.95 0.73 -0.25 1.25 0.00 -0.97 -4.98 119.30 112.12 2hw0 s MET 105 Ca -0.01 0.98 -0.01 0.00 0.00 0.00 0.00 55.69 56.66 2hw0 s MET 105 Cb 0.08 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.28 2hw0 s MET 105 CO 0.79 -0.11 0.04 -2.00 0.00 0.00 0.00 175.02 173.74 2hw0 s GLU 106 N 0.75 0.89 0.31 4.11 2.12 -1.26 -1.60 118.70 124.02 2hw0 s GLU 106 Ca -0.03 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.45 2hw0 s GLU 106 Cb -0.05 -2.18 -0.01 0.00 0.26 0.00 0.00 34.13 32.15 2hw0 s GLU 106 CO -0.05 -0.78 0.39 0.00 -0.54 0.00 0.00 175.26 174.28 2hw0 n GLY 108 N -0.51 -1.79 3.69 0.00 0.00 -1.26 -2.44 105.19 102.88 2hw0 n GLY 108 Ca 0.02 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.94 3.27 -0.98 4.61 0.00 -0.43 -4.74 121.76 121.55 2hw0 s ALA 109 Ca 0.00 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.37 2hw0 s ALA 109 Cb 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 23.12 21.95 2hw0 s ALA 109 CO 0.00 0.47 1.92 -0.35 0.00 0.00 0.00 175.76 177.80 2hw0 n PRO 110 N -0.22 1.50 -4.39 0.00 -0.04 -1.26 -4.38 135.00 126.21 2hw0 n PRO 110 Ca -0.09 -2.17 -0.26 0.00 -0.04 0.00 0.00 63.50 60.94 2hw0 n PRO 110 Cb 0.55 -3.37 -0.12 0.00 -0.04 0.00 0.00 33.50 30.53 2hw0 n PRO 110 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2hw0 s ARG 111 N 5.91 1.43 -0.30 0.54 1.70 -1.26 -4.75 118.95 122.22 2hw0 s ARG 111 Ca 0.64 -1.47 -0.15 0.00 -0.47 0.00 0.00 55.73 54.28 2hw0 s ARG 111 Cb 0.06 -1.70 0.18 0.00 -0.57 0.00 0.00 34.95 32.92 2hw0 s ARG 111 CO 0.14 0.37 1.12 0.45 -1.08 0.00 0.00 175.30 176.30 2hw0 s SER 112 N -2.60 -0.32 -0.41 -2.89 0.15 -1.26 -4.58 113.70 101.79 2hw0 s SER 112 Ca 0.18 0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.87 2hw0 s SER 112 Cb -0.08 1.28 0.03 0.00 -1.71 0.00 0.00 66.02 65.55 2hw0 s SER 112 CO 0.09 -0.06 0.55 1.67 1.20 0.00 0.00 173.24 176.69 2hw0 n GLN 113 N 5.33 -2.26 -3.36 5.44 7.27 -1.26 -4.27 117.38 124.27 2hw0 n GLN 113 Ca -0.08 1.92 -0.22 0.00 0.07 0.00 0.00 57.00 58.69 2hw0 n GLN 113 Cb 0.54 -4.39 -0.00 0.00 2.41 0.00 0.00 30.24 28.79 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 -2.13 1.43 0.00 1.69 0.00 -1.26 -4.95 107.32 102.10 2hw0 s GLY 114 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2hw0 s GLY 114 CO 0.77 -1.00 0.00 -0.18 0.00 0.00 0.00 173.10 172.69 2hw0 n GLN 115 N -1.80 0.00 0.00 2.90 7.27 -1.26 -5.29 117.38 119.20 2hw0 n GLN 115 Ca -0.03 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.17 2hw0 n GLN 115 Cb 0.57 0.00 0.30 0.00 2.41 0.00 0.00 30.24 33.52 2hw0 n GLN 115 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00