#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 n SER 3 N 0.00 -4.51 -0.02 3.54 2.88 -1.26 -5.03 113.62 109.22 2hw0 n SER 3 Ca 0.00 1.36 -0.05 0.00 -1.33 0.00 0.00 58.87 58.86 2hw0 n SER 3 Cb 0.00 -5.20 -0.02 0.00 -0.75 0.00 0.00 64.21 58.25 2hw0 n SER 3 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hw0 n LYS 4 N 1.12 0.09 -3.10 -1.46 5.02 -1.26 -5.04 118.16 113.53 2hw0 n LYS 4 Ca -0.19 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 2hw0 n LYS 4 Cb 0.29 -0.68 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 2hw0 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hw0 s LYS 5 N -2.08 4.16 0.01 1.97 -0.14 -1.26 -5.08 119.74 117.32 2hw0 s LYS 5 Ca -0.06 0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 55.24 2hw0 s LYS 5 Cb 0.02 -2.68 0.01 0.00 -1.68 0.00 0.00 37.83 33.50 2hw0 s LYS 5 CO 0.08 0.29 0.24 0.54 -0.76 0.00 0.00 175.35 175.73 2hw0 s ASN 6 N -1.91 -0.07 0.00 2.83 4.22 -1.26 -5.14 114.94 113.61 2hw0 s ASN 6 Ca 0.48 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 51.07 2hw0 s ASN 6 Cb -0.14 0.28 0.00 0.00 1.28 0.00 0.00 41.25 42.67 2hw0 s ASN 6 CO 0.19 -0.47 0.00 0.61 -2.04 0.00 0.00 177.10 175.40 2hw0 n GLY 7 N 1.12 -0.59 2.35 0.45 0.00 -1.26 -5.10 105.19 102.15 2hw0 n GLY 7 Ca -0.21 0.84 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 2hw0 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hw0 n ARG 8 N 0.00 0.53 -3.64 1.61 0.63 -1.26 -5.09 116.66 109.44 2hw0 n ARG 8 Ca 0.00 -3.31 -0.10 0.00 -0.92 0.00 0.00 57.85 53.52 2hw0 n ARG 8 Cb 0.00 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.28 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2hw0 s SER 9 N -0.53 -0.72 0.00 6.15 0.15 -1.26 -5.15 113.70 112.34 2hw0 s SER 9 Ca 0.33 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2hw0 s SER 9 Cb 0.08 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 2hw0 s SER 9 CO -0.16 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2hw0 n GLY 10 N 3.05 -2.11 3.74 9.45 0.00 -1.26 -4.93 105.19 113.13 2hw0 n GLY 10 Ca -0.15 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.16 4.41 0.23 1.61 0.04 -1.26 -5.04 135.00 134.83 2hw0 s PRO 11 Ca 0.00 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.17 2hw0 s PRO 11 Cb 0.00 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2hw0 s PRO 11 CO 0.00 -0.20 -0.14 -0.65 0.04 0.00 0.00 177.00 176.05 2hw0 s GLN 12 N -0.46 1.41 0.56 4.56 1.11 -1.26 -5.10 119.66 120.48 2hw0 s GLN 12 Ca 0.54 -1.64 -0.19 0.00 0.01 0.00 0.00 55.36 54.08 2hw0 s GLN 12 Cb -0.36 -1.22 -0.05 0.00 -1.01 0.00 0.00 33.01 30.36 2hw0 s GLN 12 CO 0.40 0.19 1.13 -1.25 0.01 0.00 0.00 175.29 175.77 2hw0 s PRO 13 N -3.64 3.29 0.34 2.91 0.04 -1.26 -4.91 135.00 131.78 2hw0 s PRO 13 Ca 0.24 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.93 2hw0 s PRO 13 Cb -0.01 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2hw0 s PRO 13 CO 0.09 -0.89 0.24 -1.01 0.04 0.00 0.00 177.00 175.47 2hw0 s HIS 14 N -1.85 1.73 -0.82 0.56 3.76 -0.47 -4.71 115.29 113.49 2hw0 s HIS 14 Ca 0.72 -1.58 0.17 0.00 -0.15 0.00 0.00 55.06 54.21 2hw0 s HIS 14 Cb -0.23 -0.79 0.65 0.00 1.11 0.00 0.00 32.58 33.31 2hw0 s HIS 14 CO 0.29 -0.75 1.56 0.36 -0.85 0.00 0.00 174.74 175.34 2hw0 n LYS 15 N -0.66 3.62 -3.90 1.40 0.00 -1.26 -2.39 118.16 114.97 2hw0 n LYS 15 Ca 0.05 -2.81 -0.20 0.00 -0.00 0.00 0.00 58.31 55.35 2hw0 n LYS 15 Cb 0.63 -1.85 -0.17 0.00 -0.00 0.00 0.00 35.03 33.64 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 -2.03 0.53 -0.14 -1.58 3.00 -1.26 -0.03 118.95 117.44 2hw0 s ARG 16 Ca 0.46 0.07 -0.11 0.00 0.00 0.00 0.00 55.73 56.15 2hw0 s ARG 16 Cb 0.32 -0.77 0.04 0.00 0.00 0.00 0.00 34.95 34.54 2hw0 s ARG 16 CO 0.20 -0.20 0.37 -1.58 0.00 0.00 0.00 175.30 174.08 2hw0 s TRP 17 N 1.46 -0.46 0.29 -0.53 0.52 -1.01 -4.11 118.94 115.11 2hw0 s TRP 17 Ca -0.03 1.06 0.09 0.00 0.02 0.00 0.00 56.10 57.24 2hw0 s TRP 17 Cb -0.13 0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 32.32 2hw0 s TRP 17 CO -0.03 -0.25 0.06 0.14 0.02 0.00 0.00 176.95 176.90 2hw0 s VAL 18 N 0.68 3.39 0.01 4.03 -7.23 0.75 -2.28 120.40 119.75 2hw0 s VAL 18 Ca -0.04 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2hw0 s VAL 18 Cb -0.05 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 2hw0 s VAL 18 CO -0.05 -0.31 -0.04 0.72 -0.31 0.00 0.00 175.10 175.12 2hw0 s PHE 19 N -2.34 0.32 -0.15 2.82 -0.71 -0.83 -1.69 117.98 115.41 2hw0 s PHE 19 Ca 0.34 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 2hw0 s PHE 19 Cb -0.05 -0.21 0.06 0.00 -1.21 0.00 0.00 43.02 41.61 2hw0 s PHE 19 CO 0.21 -0.07 0.34 0.95 -1.34 0.00 0.00 175.22 175.32 2hw0 s THR 20 N -0.69 -0.09 -0.01 -4.49 -4.23 0.39 -2.53 115.64 104.00 2hw0 s THR 20 Ca -0.06 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.59 2hw0 s THR 20 Cb -0.05 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.28 2hw0 s THR 20 CO -0.00 0.05 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.90 2hw0 s LEU 21 N 1.48 1.76 0.11 4.79 2.96 -0.88 -1.54 118.68 127.37 2hw0 s LEU 21 Ca -0.08 -0.03 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 2hw0 s LEU 21 Cb -0.10 -0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.39 2hw0 s LEU 21 CO -0.11 -0.01 0.84 0.20 -1.32 0.00 0.00 176.35 175.95 2hw0 s ASN 22 N 0.25 7.37 -0.91 3.68 0.01 -1.26 -0.82 114.94 123.27 2hw0 s ASN 22 Ca -0.02 1.64 -0.07 0.00 -0.71 0.00 0.00 52.86 53.69 2hw0 s ASN 22 Cb -0.04 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 2hw0 s ASN 22 CO -0.01 0.06 0.71 -3.20 -1.51 0.00 0.00 177.10 173.15 2hw0 n ASN 23 N 2.38 -6.12 -4.77 -1.22 4.05 0.92 -4.92 115.26 105.59 2hw0 n ASN 23 Ca -0.02 -0.66 -0.39 0.00 0.45 0.00 0.00 54.58 53.96 2hw0 n ASN 23 Cb 0.49 -3.64 -0.02 0.00 1.23 0.00 0.00 39.78 37.84 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 -4.57 4.14 0.35 1.20 0.04 -1.26 -5.04 135.00 129.86 2hw0 s PRO 24 Ca 0.17 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 2hw0 s PRO 24 Cb -0.06 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2hw0 s PRO 24 CO 0.83 -0.27 0.60 -1.12 0.04 0.00 0.00 177.00 177.07 2hw0 s SER 25 N -0.97 6.35 0.52 6.66 0.01 -1.26 -4.93 113.70 120.07 2hw0 s SER 25 Ca 0.55 0.65 0.18 0.00 1.31 0.00 0.00 55.95 58.63 2hw0 s SER 25 Cb -0.33 -2.12 1.30 0.00 0.21 0.00 0.00 66.02 65.08 2hw0 s SER 25 CO 0.42 -0.32 2.13 1.05 0.41 0.00 0.00 173.24 176.93 2hw0 h GLU 26 N 0.99 0.00 -0.02 12.44 4.11 -1.99 -0.46 114.58 129.66 2hw0 h GLU 26 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 26 CO 0.63 0.00 -0.26 0.22 0.07 0.00 0.00 179.01 179.67 2hw0 h ASP 27 N 0.00 0.26 -0.07 3.06 1.82 -1.99 -2.50 116.42 117.01 2hw0 h ASP 27 Ca 0.04 -0.73 -0.00 0.00 -0.39 0.00 0.00 57.03 55.95 2hw0 h ASP 27 Cb 0.16 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2hw0 h ASP 27 CO -0.00 0.95 0.03 -0.08 -1.61 0.00 0.00 179.24 178.53 2hw0 h GLU 28 N -0.40 0.09 -0.35 0.28 4.22 -1.83 -1.42 114.58 115.17 2hw0 h GLU 28 Ca -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 2hw0 h GLU 28 Cb 0.97 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2hw0 h GLU 28 CO 0.05 0.16 0.21 0.00 -2.18 0.00 0.00 179.01 177.25 2hw0 h ARG 29 N 0.00 0.47 -0.23 1.92 3.08 -1.21 -1.82 114.38 116.60 2hw0 h ARG 29 Ca 0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 2hw0 h ARG 29 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2hw0 h ARG 29 CO -0.00 0.33 -0.45 0.87 -1.07 0.00 0.00 179.97 179.65 2hw0 h LYS 30 N 0.48 0.59 -0.13 0.04 1.57 -1.05 0.55 116.57 118.63 2hw0 h LYS 30 Ca 0.13 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2hw0 h LYS 30 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2hw0 h LYS 30 CO -0.02 0.92 0.05 -0.22 -0.57 0.00 0.00 179.45 179.61 2hw0 h LYS 31 N 0.48 0.20 -0.09 3.15 3.64 -0.42 0.27 116.57 123.80 2hw0 h LYS 31 Ca 0.03 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2hw0 h LYS 31 Cb 0.97 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2hw0 h LYS 31 CO 0.09 0.30 -0.71 0.82 -2.27 0.00 0.00 179.45 177.68 2hw0 h ILE 32 N 0.05 1.37 0.00 2.00 2.04 -1.45 -2.64 117.51 118.88 2hw0 h ILE 32 Ca 0.04 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 2hw0 h ILE 32 Cb 0.18 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2hw0 h ILE 32 CO -0.00 0.63 -0.06 -0.09 0.00 0.00 0.00 178.15 178.62 2hw0 h ARG 33 N 0.29 0.00 -0.62 2.37 2.43 -0.77 -2.79 114.38 115.29 2hw0 h ARG 33 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2hw0 h ARG 33 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2hw0 h ARG 33 CO 0.12 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.18 2hw0 n ASP 34 N -3.15 3.81 -4.70 -3.80 2.03 0.95 -4.99 116.55 106.71 2hw0 n ASP 34 Ca 0.02 -2.00 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 2hw0 n ASP 34 Cb 0.43 -0.41 0.15 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.18 2.84 -0.10 -2.67 1.43 -1.01 -4.92 118.68 113.07 2hw0 s LEU 35 Ca 0.46 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 2hw0 s LEU 35 Cb 0.25 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2hw0 s LEU 35 CO 0.33 -2.83 1.53 -2.16 0.23 0.00 0.00 176.35 173.44 2hw0 s PRO 36 N -4.72 4.18 0.25 1.29 0.04 -1.26 -4.91 135.00 129.88 2hw0 s PRO 36 Ca 0.65 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.73 2hw0 s PRO 36 Cb -0.21 -3.92 0.31 0.00 0.04 0.00 0.00 34.50 30.72 2hw0 s PRO 36 CO 0.58 -0.82 1.61 -0.84 0.04 0.00 0.00 177.00 177.57 2hw0 h ILE 37 N 5.57 1.34 0.00 0.56 3.07 -1.91 -2.71 117.51 123.44 2hw0 h ILE 37 Ca -0.35 -1.74 0.00 0.00 1.55 0.00 0.00 64.86 64.32 2hw0 h ILE 37 Cb 1.15 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 2hw0 h ILE 37 CO 0.96 0.52 0.00 0.77 -1.05 0.00 0.00 178.15 179.35 2hw0 h SER 38 N 0.24 0.00 1.01 2.16 4.64 -1.99 -2.38 113.55 117.23 2hw0 h SER 38 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 2hw0 h SER 38 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2hw0 h SER 38 CO 0.08 0.00 -0.69 0.25 -0.87 0.00 0.00 176.83 175.60 2hw0 h LEU 39 N 0.00 0.00 -7.85 5.97 6.46 -1.88 -3.43 115.31 114.58 2hw0 h LEU 39 Ca 0.00 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.17 2hw0 h LEU 39 Cb 0.38 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.94 2hw0 h LEU 39 CO 0.00 0.69 -0.83 -0.36 -0.62 0.00 0.00 178.44 177.32 2hw0 s PHE 40 N -3.13 2.09 0.59 1.25 0.40 -0.90 -2.41 117.98 115.88 2hw0 s PHE 40 Ca 0.01 -1.19 0.29 0.00 -0.60 0.00 0.00 56.93 55.44 2hw0 s PHE 40 Cb 0.10 -1.54 1.59 0.00 0.51 0.00 0.00 43.02 43.68 2hw0 s PHE 40 CO 0.77 -0.66 2.02 0.22 0.70 0.00 0.00 175.22 178.27 2hw0 h ASP 41 N 8.06 0.00 -3.07 1.36 1.82 -1.66 -3.39 116.42 119.55 2hw0 h ASP 41 Ca -0.36 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.07 2hw0 h ASP 41 Cb 1.13 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.82 2hw0 h ASP 41 CO 0.50 0.00 -0.53 -0.47 -1.61 0.00 0.00 179.24 177.13 2hw0 s TYR 42 N -4.61 -0.36 -0.13 0.28 5.04 -1.25 -0.62 117.35 115.69 2hw0 s TYR 42 Ca -0.04 0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 2hw0 s TYR 42 Cb 0.15 -0.03 0.04 0.00 0.35 0.00 0.00 41.96 42.47 2hw0 s TYR 42 CO 0.54 -0.30 -0.00 0.12 -1.34 0.00 0.00 175.55 174.57 2hw0 s PHE 43 N 1.98 1.01 -0.10 4.97 2.19 -1.00 -0.05 117.98 126.98 2hw0 s PHE 43 Ca -0.02 -0.56 -0.02 0.00 0.33 0.00 0.00 56.93 56.65 2hw0 s PHE 43 Cb -0.11 -0.99 0.04 0.00 -1.31 0.00 0.00 43.02 40.64 2hw0 s PHE 43 CO -0.08 -0.47 0.03 -1.50 1.83 0.00 0.00 175.22 175.02 2hw0 s ILE 44 N 1.86 0.26 0.16 3.12 2.07 -0.23 -1.61 121.20 126.83 2hw0 s ILE 44 Ca 0.03 0.04 0.11 0.00 -1.41 0.00 0.00 60.65 59.41 2hw0 s ILE 44 Cb -0.14 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 2hw0 s ILE 44 CO -0.07 0.12 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.15 2hw0 s VAL 45 N 2.01 2.19 -0.04 4.00 1.01 -0.35 -0.04 120.40 129.18 2hw0 s VAL 45 Ca 0.04 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.05 2hw0 s VAL 45 Cb -0.13 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2hw0 s VAL 45 CO -0.06 -0.05 0.24 -0.83 0.00 0.00 0.00 175.10 174.40 2hw0 s GLY 46 N -2.34 -0.11 -0.13 4.51 0.00 -0.54 -2.40 107.32 106.32 2hw0 s GLY 46 Ca 0.16 0.32 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 2hw0 s GLY 46 CO 0.07 0.17 0.27 1.85 0.00 0.00 0.00 173.10 175.46 2hw0 s GLU 47 N -0.86 4.01 -0.19 2.90 2.56 0.88 -2.25 118.70 125.76 2hw0 s GLU 47 Ca -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 54.97 54.86 2hw0 s GLU 47 Cb -0.05 -3.34 -0.05 0.00 2.00 0.00 0.00 34.13 32.70 2hw0 s GLU 47 CO 0.02 0.45 0.11 -2.00 -0.56 0.00 0.00 175.26 173.27 2hw0 s GLU 48 N -0.16 4.09 -0.49 4.30 -6.30 0.66 -3.59 118.70 117.21 2hw0 s GLU 48 Ca 0.17 -0.26 0.06 0.00 -2.50 0.00 0.00 54.97 52.44 2hw0 s GLU 48 Cb -0.13 -3.34 0.19 0.00 0.00 0.00 0.00 34.13 30.85 2hw0 s GLU 48 CO 0.05 0.31 0.64 0.20 0.02 0.00 0.00 175.26 176.48 2hw0 s GLY 49 N 0.31 -0.73 0.16 -1.50 0.00 -1.26 -1.55 107.32 102.75 2hw0 s GLY 49 Ca 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 2hw0 s GLY 49 CO -0.01 3.33 0.09 -2.01 0.00 0.00 0.00 173.10 174.50 2hw0 n ASN 50 N 2.94 -2.16 -4.10 1.64 2.85 -1.26 -4.96 115.26 110.21 2hw0 n ASN 50 Ca 0.20 -0.13 -0.29 0.00 -0.11 0.00 0.00 54.58 54.26 2hw0 n ASN 50 Cb 0.54 -0.11 0.20 0.00 1.24 0.00 0.00 39.78 41.65 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2hw0 n GLU 51 N -2.38 -2.22 -1.21 1.20 0.28 -1.26 -4.75 120.64 110.30 2hw0 n GLU 51 Ca 0.01 -0.64 -0.36 0.00 -0.16 0.00 0.00 57.16 56.02 2hw0 n GLU 51 Cb 0.06 -1.75 0.08 0.00 1.43 0.00 0.00 31.44 31.26 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2hw0 n GLU 52 N -2.87 0.25 0.00 3.44 4.07 -1.26 -2.73 120.64 121.54 2hw0 n GLU 52 Ca 0.03 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 2hw0 n GLU 52 Cb 0.57 -1.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 2hw0 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hw0 n GLY 53 N 1.48 3.08 3.80 8.31 0.00 -1.26 -5.02 105.19 115.58 2hw0 n GLY 53 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.33 3.96 0.59 1.61 6.06 -1.11 -5.09 118.95 124.64 2hw0 s ARG 54 Ca 0.00 0.17 -0.11 0.00 -2.50 0.00 0.00 55.73 53.29 2hw0 s ARG 54 Cb 0.00 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 2hw0 s ARG 54 CO 0.00 0.52 0.99 0.95 -2.50 0.00 0.00 175.30 175.26 2hw0 s THR 55 N -0.41 4.72 0.46 4.11 -4.23 -1.26 -4.74 115.64 114.30 2hw0 s THR 55 Ca 0.19 0.82 -0.23 0.00 -1.18 0.00 0.00 61.69 61.29 2hw0 s THR 55 Cb -0.14 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.77 2hw0 s THR 55 CO 0.08 -1.06 1.16 -2.16 -0.54 0.00 0.00 174.62 172.10 2hw0 s PRO 56 N -5.00 3.75 -0.00 3.99 0.04 -1.26 -4.75 135.00 131.76 2hw0 s PRO 56 Ca 0.54 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 2hw0 s PRO 56 Cb -0.11 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2hw0 s PRO 56 CO 0.50 -0.56 0.00 -1.58 0.04 0.00 0.00 177.00 175.41 2hw0 s HIS 57 N -1.55 0.00 -0.10 0.56 2.46 -0.60 -0.05 115.29 116.01 2hw0 s HIS 57 Ca 0.64 0.02 -0.14 0.00 0.47 0.00 0.00 55.06 56.04 2hw0 s HIS 57 Cb -0.28 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.09 2hw0 s HIS 57 CO 0.34 -0.01 0.35 -1.17 -2.47 0.00 0.00 174.74 171.78 2hw0 s LEU 58 N 0.13 4.34 -0.23 8.88 0.20 -0.00 -0.25 118.68 131.74 2hw0 s LEU 58 Ca -0.01 0.71 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 2hw0 s LEU 58 Cb -0.02 -2.47 0.12 0.00 -0.43 0.00 0.00 46.19 43.39 2hw0 s LEU 58 CO -0.00 0.18 0.38 -1.58 -0.29 0.00 0.00 176.35 175.03 2hw0 s GLN 59 N -0.12 0.34 0.05 1.98 2.00 -0.95 -2.06 119.66 120.89 2hw0 s GLN 59 Ca 0.20 0.61 -0.10 0.00 -2.00 0.00 0.00 55.36 54.07 2hw0 s GLN 59 Cb -0.14 -0.36 0.01 0.00 0.80 0.00 0.00 33.01 33.31 2hw0 s GLN 59 CO 0.08 -0.58 0.22 0.20 -0.50 0.00 0.00 175.29 174.72 2hw0 s GLY 60 N 2.55 0.01 -0.01 2.59 0.00 -1.05 -1.46 107.32 109.94 2hw0 s GLY 60 Ca 0.10 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.61 2hw0 s GLY 60 CO -0.15 -0.47 -0.24 -0.12 0.00 0.00 0.00 173.10 172.11 2hw0 s PHE 61 N -2.84 2.18 -0.02 1.90 5.36 0.95 -1.96 117.98 123.55 2hw0 s PHE 61 Ca -0.03 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.54 2hw0 s PHE 61 Cb 0.00 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.30 2hw0 s PHE 61 CO -0.05 -0.02 -0.01 0.00 -1.46 0.00 0.00 175.22 173.67 2hw0 s ALA 62 N -0.59 0.27 -0.37 11.12 0.00 -0.97 -1.07 121.76 130.15 2hw0 s ALA 62 Ca 0.09 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 2hw0 s ALA 62 Cb -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2hw0 s ALA 62 CO -0.01 -0.01 0.42 -0.80 0.00 0.00 0.00 175.76 175.36 2hw0 s ASN 63 N 0.52 6.21 0.02 0.00 0.01 0.93 -2.41 114.94 120.22 2hw0 s ASN 63 Ca -0.05 -0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 2hw0 s ASN 63 Cb -0.08 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.30 2hw0 s ASN 63 CO -0.01 -0.45 1.42 -0.36 -1.51 0.00 0.00 177.10 176.19 2hw0 s PHE 64 N 2.15 2.87 0.43 2.20 0.08 0.96 -2.34 117.98 124.33 2hw0 s PHE 64 Ca 0.13 0.80 0.29 0.00 0.12 0.00 0.00 56.93 58.27 2hw0 s PHE 64 Cb -0.16 -3.69 1.54 0.00 -0.57 0.00 0.00 43.02 40.14 2hw0 s PHE 64 CO 0.13 -2.54 2.10 0.28 -0.10 0.00 0.00 175.22 175.09 2hw0 h VAL 65 N 4.83 0.51 -3.41 -0.44 2.07 -1.76 -3.41 116.25 114.64 2hw0 h VAL 65 Ca -0.39 -0.44 -0.53 0.00 0.82 0.00 0.00 66.70 66.16 2hw0 h VAL 65 Cb 1.18 1.29 -0.19 0.00 -1.52 0.00 0.00 31.29 32.06 2hw0 h VAL 65 CO 0.90 0.09 -0.79 -0.54 0.02 0.00 0.00 177.57 177.25 2hw0 s LYS 66 N -4.22 1.25 0.06 1.57 3.01 -1.26 -5.03 119.74 115.12 2hw0 s LYS 66 Ca -0.03 -1.37 -0.30 0.00 -1.01 0.00 0.00 55.97 53.26 2hw0 s LYS 66 Cb 0.13 -1.36 -0.09 0.00 -1.01 0.00 0.00 37.83 35.51 2hw0 s LYS 66 CO 0.57 0.28 1.88 0.15 0.51 0.00 0.00 175.35 178.75 2hw0 s LYS 67 N -2.63 4.15 0.08 1.68 -0.14 -1.26 -4.66 119.74 116.95 2hw0 s LYS 67 Ca 0.14 2.56 0.03 0.00 -1.36 0.00 0.00 55.97 57.34 2hw0 s LYS 67 Cb -0.07 -3.95 -0.03 0.00 -1.68 0.00 0.00 37.83 32.10 2hw0 s LYS 67 CO 0.06 -0.90 -0.10 -0.65 -0.76 0.00 0.00 175.35 173.00 2hw0 s GLN 68 N 3.83 0.74 0.51 1.68 -1.52 -1.01 -4.88 119.66 119.00 2hw0 s GLN 68 Ca 0.84 -1.01 0.05 0.00 -1.95 0.00 0.00 55.36 53.28 2hw0 s GLN 68 Cb -0.43 -0.47 0.03 0.00 -0.22 0.00 0.00 33.01 31.93 2hw0 s GLN 68 CO 0.39 0.08 0.70 0.95 -0.25 0.00 0.00 175.29 177.15 2hw0 s THR 69 N -2.04 2.75 0.06 -0.19 -4.23 -1.26 -1.36 115.64 109.37 2hw0 s THR 69 Ca -0.00 -0.82 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 2hw0 s THR 69 Cb -0.05 -2.93 -0.18 0.00 1.34 0.00 0.00 72.50 70.68 2hw0 s THR 69 CO 0.00 0.00 1.58 0.15 -0.54 0.00 0.00 174.62 175.81 2hw0 h PHE 70 N 0.29 -0.57 -0.83 3.99 3.57 -1.98 0.31 116.94 121.71 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 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 2hw0 h PHE 70 CO 0.36 -0.32 0.50 -0.97 -2.23 0.00 0.00 178.31 175.64 2hw0 h ASN 71 N -0.67 1.00 -0.06 0.41 -0.73 -2.00 -2.66 115.58 110.87 2hw0 h ASN 71 Ca -0.06 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 2hw0 h ASN 71 Cb 0.50 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hw0 h ASN 71 CO 0.10 0.78 0.01 0.50 -0.37 0.00 0.00 177.43 178.45 2hw0 h LYS 72 N 1.14 0.09 -0.39 6.67 3.11 -1.92 -2.59 116.57 122.68 2hw0 h LYS 72 Ca 0.30 -0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.23 2hw0 h LYS 72 Cb -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 2hw0 h LYS 72 CO -0.06 0.29 0.40 0.28 -2.81 0.00 0.00 179.45 177.56 2hw0 h VAL 73 N -0.13 0.41 0.00 2.00 2.07 -0.18 0.36 116.25 120.79 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 0.24 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 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 -3.77 0.07 0.28 1.57 5.02 -0.98 -1.62 118.16 118.72 2hw0 n LYS 74 Ca 0.07 0.45 0.17 0.00 -2.02 0.00 0.00 58.31 56.97 2hw0 n LYS 74 Cb 0.58 -1.67 0.66 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.40 -0.28 115.95 122.49 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 26.27 2hw0 h TRP 75 CO 0.00 0.00 -1.43 0.66 -1.28 0.00 0.00 178.44 176.39 2hw0 n TYR 76 N -3.09 0.00 0.01 0.12 4.01 -0.64 -4.72 117.16 112.85 2hw0 n TYR 76 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2hw0 n TYR 76 Cb 0.32 -0.32 0.08 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.33 0.56 0.00 7.72 3.38 -1.55 -3.48 115.31 121.62 2hw0 h LEU 77 Ca -0.22 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2hw0 h LEU 77 Cb 1.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2hw0 h LEU 77 CO -0.13 0.97 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2hw0 n GLY 78 N 0.16 -0.02 0.15 0.83 0.00 -0.11 -4.58 105.19 101.62 2hw0 n GLY 78 Ca -0.03 -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 0.18 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 0.07 0.00 0.00 0.00 179.25 180.56 2hw0 h ARG 80 N 0.00 0.57 -5.77 0.00 0.11 -1.95 -3.40 114.38 103.93 2hw0 h ARG 80 Ca -0.01 -0.03 -0.67 0.00 0.10 0.00 0.00 59.98 59.37 2hw0 h ARG 80 Cb 1.17 -0.13 -0.09 0.00 1.11 0.00 0.00 29.97 32.04 2hw0 h ARG 80 CO 0.07 0.37 -0.52 0.00 0.10 0.00 0.00 179.97 179.99 2hw0 s HIS 82 N -1.05 3.40 0.04 0.00 2.46 -0.59 -4.83 115.29 114.72 2hw0 s HIS 82 Ca 0.17 1.42 0.07 0.00 0.47 0.00 0.00 55.06 57.19 2hw0 s HIS 82 Cb -0.12 -3.30 -0.03 0.00 -0.13 0.00 0.00 32.58 29.00 2hw0 s HIS 82 CO 0.06 -0.76 -0.20 0.96 -2.47 0.00 0.00 174.74 172.34 2hw0 s ILE 83 N 1.82 2.67 0.16 0.89 -4.36 -1.26 -0.46 121.20 120.66 2hw0 s ILE 83 Ca 0.53 -1.20 -0.11 0.00 -0.26 0.00 0.00 60.65 59.62 2hw0 s ILE 83 Cb -0.23 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.38 2hw0 s ILE 83 CO 0.22 0.36 0.32 -0.70 0.24 0.00 0.00 174.94 175.38 2hw0 s GLU 84 N -1.36 1.15 0.11 0.37 2.12 -0.68 -4.97 118.70 115.45 2hw0 s GLU 84 Ca 0.14 -1.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 2hw0 s GLU 84 Cb -0.10 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 2hw0 s GLU 84 CO 0.04 -0.43 1.14 0.15 -0.54 0.00 0.00 175.26 175.62 2hw0 s LYS 85 N -3.93 4.52 0.48 4.30 1.02 -1.26 -0.17 119.74 124.69 2hw0 s LYS 85 Ca 0.14 1.72 -0.09 0.00 0.02 0.00 0.00 55.97 57.76 2hw0 s LYS 85 Cb 0.03 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2hw0 s LYS 85 CO -0.02 -0.08 0.83 0.00 -0.92 0.00 0.00 175.35 175.16 2hw0 s ALA 86 N 0.42 3.31 0.01 5.17 0.00 -1.26 -4.86 121.76 124.55 2hw0 s ALA 86 Ca 0.54 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2hw0 s ALA 86 Cb -0.29 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2hw0 s ALA 86 CO 0.32 -0.29 -0.04 -1.59 0.00 0.00 0.00 175.76 174.16 2hw0 s LYS 87 N -4.49 0.31 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.49 2hw0 s LYS 87 Ca 0.51 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 2hw0 s LYS 87 Cb -0.10 -0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.45 2hw0 s LYS 87 CO 0.41 0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.32 2hw0 n GLY 88 N 2.57 -0.37 3.97 0.59 0.00 -1.26 -4.81 105.19 105.88 2hw0 n GLY 88 Ca -0.16 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.46 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 2.46 0.27 2.61 -4.23 -1.26 -4.96 115.64 110.53 2hw0 s THR 89 Ca 0.00 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2hw0 s THR 89 Cb 0.00 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.51 2hw0 s THR 89 CO 0.00 0.00 1.87 -0.78 -0.54 0.00 0.00 174.62 175.17 2hw0 h ASP 90 N 0.59 1.02 -0.22 3.99 1.82 -1.98 -1.05 116.42 120.59 2hw0 h ASP 90 Ca -0.37 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.20 2hw0 h ASP 90 Cb 1.28 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 2hw0 h ASP 90 CO 0.48 0.63 -0.14 1.56 -1.61 0.00 0.00 179.24 180.16 2hw0 h GLN 91 N 1.15 0.63 -0.47 0.28 1.08 -1.95 0.28 115.11 116.09 2hw0 h GLN 91 Ca 0.44 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 57.33 2hw0 h GLN 91 Cb 0.22 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2hw0 h GLN 91 CO -0.19 0.75 -0.13 1.96 -0.95 0.00 0.00 178.83 180.26 2hw0 h GLN 92 N 0.57 0.93 0.08 1.46 4.20 -1.61 -1.21 115.11 119.52 2hw0 h GLN 92 Ca 0.10 -0.36 -0.29 0.00 0.06 0.00 0.00 58.65 58.16 2hw0 h GLN 92 Cb 0.57 -0.05 0.03 0.00 0.30 0.00 0.00 27.48 28.33 2hw0 h GLN 92 CO 0.04 1.02 -1.17 -0.91 -0.67 0.00 0.00 178.83 177.14 2hw0 h ASN 93 N 0.77 0.87 -0.25 1.46 -0.26 -1.10 -1.42 115.58 115.65 2hw0 h ASN 93 Ca 0.12 -0.76 -0.01 0.00 -0.56 0.00 0.00 56.30 55.09 2hw0 h ASN 93 Cb 0.69 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 2hw0 h ASN 93 CO 0.05 1.56 0.13 0.50 -1.06 0.00 0.00 177.43 178.62 2hw0 h LYS 94 N 0.31 0.35 -0.17 0.81 3.64 -0.44 -0.49 116.57 120.58 2hw0 h LYS 94 Ca -0.16 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2hw0 h LYS 94 Cb 1.83 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 2hw0 h LYS 94 CO 0.22 0.32 -0.33 0.93 -2.27 0.00 0.00 179.45 178.33 2hw0 h GLU 95 N 0.28 0.52 -0.89 1.90 5.08 -1.31 -2.60 114.58 117.56 2hw0 h GLU 95 Ca 0.09 -0.33 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2hw0 h GLU 95 Cb 0.08 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2hw0 h GLU 95 CO -0.01 0.94 0.56 -0.92 -1.00 0.00 0.00 179.01 178.57 2hw0 h TYR 96 N 0.15 1.02 -0.19 4.33 3.20 -1.17 0.12 116.97 124.43 2hw0 h TYR 96 Ca 0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2hw0 h TYR 96 Cb 0.93 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2hw0 h TYR 96 CO 0.10 0.50 -0.37 0.00 -1.64 0.00 0.00 178.16 176.75 2hw0 n SER 98 N -4.05 0.33 0.31 0.00 3.41 -0.51 -3.50 113.62 109.61 2hw0 n SER 98 Ca -0.01 0.49 0.19 0.00 -0.26 0.00 0.00 58.87 59.28 2hw0 n SER 98 Cb 0.47 -0.57 0.99 0.00 -0.26 0.00 0.00 64.21 64.85 2hw0 n SER 98 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2hw0 h LYS 99 N 0.00 0.00 0.00 4.33 5.09 -0.37 0.26 116.57 125.88 2hw0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2hw0 h LYS 99 Cb 0.59 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.92 2hw0 h LYS 99 CO 0.00 0.00 -0.03 0.93 -2.09 0.00 0.00 179.45 178.26 2hw0 h GLU 100 N 0.00 0.00 0.00 0.07 5.08 -1.74 -3.46 114.58 114.52 2hw0 h GLU 100 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hw0 h GLU 100 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2hw0 h GLU 100 CO -0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 2hw0 n GLY 101 N 0.26 1.65 3.03 -3.84 0.00 0.92 -4.53 105.19 102.67 2hw0 n GLY 101 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 2.10 -0.29 1.61 2.47 -1.24 -5.04 114.94 111.27 2hw0 s ASN 102 Ca 0.00 -0.35 -0.07 0.00 0.42 0.00 0.00 52.86 52.86 2hw0 s ASN 102 Cb 0.00 -0.94 0.00 0.00 -1.45 0.00 0.00 41.25 38.87 2hw0 s ASN 102 CO 0.00 0.02 0.08 -0.76 -3.72 0.00 0.00 177.10 172.71 2hw0 s LEU 103 N 0.87 3.78 -0.06 3.21 2.01 -1.26 -0.08 118.68 127.14 2hw0 s LEU 103 Ca -0.10 -0.64 -0.08 0.00 0.01 0.00 0.00 54.13 53.32 2hw0 s LEU 103 Cb -0.15 -1.88 -0.29 0.00 0.01 0.00 0.00 46.19 43.87 2hw0 s LEU 103 CO 0.01 -0.17 0.60 0.25 1.01 0.00 0.00 176.35 178.05 2hw0 h LEU 104 N 8.23 0.52 -7.45 1.79 7.12 -1.77 -3.46 115.31 120.30 2hw0 h LEU 104 Ca -0.32 -0.88 -0.18 0.00 0.13 0.00 0.00 57.88 56.63 2hw0 h LEU 104 Cb 1.13 -0.17 -0.27 0.00 -0.53 0.00 0.00 40.66 40.82 2hw0 h LEU 104 CO 0.60 1.76 -0.46 -0.32 -0.13 0.00 0.00 178.44 179.88 2hw0 s MET 105 N -2.58 0.24 -0.24 1.25 0.00 -1.15 -5.00 119.30 111.82 2hw0 s MET 105 Ca -0.17 0.39 -0.03 0.00 0.00 0.00 0.00 55.69 55.88 2hw0 s MET 105 Cb 0.06 0.04 0.08 0.00 0.00 0.00 0.00 34.83 35.01 2hw0 s MET 105 CO 0.83 -0.08 0.09 -2.00 0.00 0.00 0.00 175.02 173.86 2hw0 s GLU 106 N 0.52 0.41 0.35 4.11 2.12 -1.26 -1.21 118.70 123.75 2hw0 s GLU 106 Ca -0.03 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 2hw0 s GLU 106 Cb -0.05 -1.75 0.02 0.00 0.26 0.00 0.00 34.13 32.62 2hw0 s GLU 106 CO -0.03 -0.83 0.61 0.00 -0.54 0.00 0.00 175.26 174.47 2hw0 n GLY 108 N -0.54 -0.29 3.68 0.00 0.00 -1.26 -2.38 105.19 104.41 2hw0 n GLY 108 Ca -0.03 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.00 3.25 -0.55 4.61 0.00 0.20 -4.87 121.76 123.40 2hw0 s ALA 109 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 2hw0 s ALA 109 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 2hw0 s ALA 109 CO 0.00 0.28 1.83 -1.25 0.00 0.00 0.00 175.76 176.62 2hw0 s PRO 110 N -3.63 2.80 0.63 0.00 0.04 -1.26 -4.56 135.00 129.01 2hw0 s PRO 110 Ca 0.31 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 2hw0 s PRO 110 Cb -0.07 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.12 2hw0 s PRO 110 CO 0.21 -2.52 1.10 1.03 0.04 0.00 0.00 177.00 176.86 2hw0 s ARG 111 N 6.69 2.98 -0.30 4.56 1.81 -1.26 -5.05 118.95 128.38 2hw0 s ARG 111 Ca 0.69 1.39 -0.16 0.00 -1.72 0.00 0.00 55.73 55.93 2hw0 s ARG 111 Cb -0.14 -1.97 0.18 0.00 -0.45 0.00 0.00 34.95 32.56 2hw0 s ARG 111 CO 0.24 -1.11 1.13 -1.12 -0.68 0.00 0.00 175.30 173.76 2hw0 s SER 112 N -2.49 -0.30 -0.08 0.23 0.01 -1.26 -4.30 113.70 105.51 2hw0 s SER 112 Ca 0.67 0.22 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2hw0 s SER 112 Cb -0.20 1.26 -0.03 0.00 0.21 0.00 0.00 66.02 67.26 2hw0 s SER 112 CO 0.38 -0.06 -0.02 -1.58 0.41 0.00 0.00 173.24 172.38 2hw0 s GLN 113 N 2.82 2.93 0.00 12.44 0.74 -1.26 -5.06 119.66 132.27 2hw0 s GLN 113 Ca -0.04 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 54.92 2hw0 s GLN 113 Cb -0.08 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2hw0 s GLN 113 CO -0.11 0.68 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 2hw0 n GLY 114 N 2.20 3.58 0.92 2.59 0.00 -1.26 -5.12 105.19 108.09 2hw0 n GLY 114 Ca -0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 3.00 -1.26 -5.34 117.38 115.39 2hw0 n GLN 115 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2hw0 n GLN 115 Cb 0.00 -0.06 0.33 0.00 0.00 0.00 0.00 30.24 30.51 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60