#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 -0.28 -3.17 3.54 3.41 -1.26 -5.17 113.62 110.69 2hw0 n SER 3 Ca 0.00 -2.46 0.05 0.00 -0.26 0.00 0.00 58.87 56.20 2hw0 n SER 3 Cb 0.00 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 2hw0 n SER 3 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2hw0 s LYS 4 N -2.92 0.05 -0.06 4.33 0.00 -1.26 -5.17 119.74 114.72 2hw0 s LYS 4 Ca 0.25 0.11 0.03 0.00 0.00 0.00 0.00 55.97 56.37 2hw0 s LYS 4 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 37.83 37.89 2hw0 s LYS 4 CO 0.18 -0.04 -0.15 0.15 0.00 0.00 0.00 175.35 175.49 2hw0 s LYS 5 N 2.51 2.63 0.05 1.78 1.02 -1.26 -5.12 119.74 121.35 2hw0 s LYS 5 Ca -0.04 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.24 2hw0 s LYS 5 Cb -0.05 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2hw0 s LYS 5 CO -0.12 0.54 0.05 -1.71 -0.92 0.00 0.00 175.35 173.19 2hw0 n ASN 6 N 2.54 -0.13 -4.64 2.83 2.85 -1.26 -5.13 115.26 112.33 2hw0 n ASN 6 Ca -0.17 -1.30 -0.42 0.00 -0.11 0.00 0.00 54.58 52.59 2hw0 n ASN 6 Cb 0.52 0.28 -0.05 0.00 1.24 0.00 0.00 39.78 41.78 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 -1.32 1.76 -0.23 8.20 0.00 -1.26 -5.03 107.32 109.44 2hw0 s GLY 7 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 2hw0 s GLY 7 CO 0.04 1.72 -0.07 -1.60 0.00 0.00 0.00 173.10 173.19 2hw0 s ARG 8 N 2.79 3.09 0.36 2.90 3.52 -1.26 -5.11 118.95 125.24 2hw0 s ARG 8 Ca 0.33 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 55.21 2hw0 s ARG 8 Cb -0.15 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.23 2hw0 s ARG 8 CO 0.08 -0.29 0.05 -1.12 -0.81 0.00 0.00 175.30 173.21 2hw0 s SER 9 N 1.39 4.21 0.00 -2.12 0.01 -1.26 -5.09 113.70 110.84 2hw0 s SER 9 Ca 0.03 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2hw0 s SER 9 Cb -0.15 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2hw0 s SER 9 CO -0.05 -0.32 0.57 0.61 0.41 0.00 0.00 173.24 174.46 2hw0 n GLY 10 N -1.02 -1.64 3.69 3.44 0.00 -1.26 -4.74 105.19 103.67 2hw0 n GLY 10 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.10 4.28 0.19 1.61 0.04 -1.26 -5.03 135.00 132.74 2hw0 s PRO 11 Ca 0.00 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2hw0 s PRO 11 Cb 0.00 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2hw0 s PRO 11 CO 0.00 -0.57 -0.12 -0.65 0.04 0.00 0.00 177.00 175.71 2hw0 s GLN 12 N 2.18 1.25 0.54 4.56 -0.21 -1.26 -5.09 119.66 121.63 2hw0 s GLN 12 Ca 0.65 -1.56 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 2hw0 s GLN 12 Cb -0.33 -0.93 -0.06 0.00 1.00 0.00 0.00 33.01 32.69 2hw0 s GLN 12 CO 0.28 0.13 1.13 -1.25 -2.12 0.00 0.00 175.29 173.46 2hw0 s PRO 13 N -3.69 3.39 0.33 2.91 0.04 -1.26 -4.89 135.00 131.83 2hw0 s PRO 13 Ca 0.21 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2hw0 s PRO 13 Cb 0.01 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2hw0 s PRO 13 CO 0.05 -0.82 0.23 -1.01 0.04 0.00 0.00 177.00 175.49 2hw0 s HIS 14 N -1.75 1.71 -0.60 0.56 3.76 -0.43 -4.69 115.29 113.85 2hw0 s HIS 14 Ca 0.72 -1.56 0.16 0.00 -0.15 0.00 0.00 55.06 54.23 2hw0 s HIS 14 Cb -0.24 -0.79 0.68 0.00 1.11 0.00 0.00 32.58 33.34 2hw0 s HIS 14 CO 0.28 -0.73 1.60 0.36 -0.85 0.00 0.00 174.74 175.40 2hw0 n LYS 15 N -0.65 3.89 -3.74 1.40 0.00 -1.26 -2.22 118.16 115.59 2hw0 n LYS 15 Ca 0.04 -2.91 -0.18 0.00 -0.00 0.00 0.00 58.31 55.25 2hw0 n LYS 15 Cb 0.63 -1.96 -0.17 0.00 -0.00 0.00 0.00 35.03 33.53 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 -2.32 0.02 -0.13 -1.58 0.52 -1.26 -0.04 118.95 114.16 2hw0 s ARG 16 Ca 0.48 0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.87 2hw0 s ARG 16 Cb 0.35 -0.46 0.04 0.00 0.52 0.00 0.00 34.95 35.40 2hw0 s ARG 16 CO 0.17 -0.26 0.32 -1.58 0.02 0.00 0.00 175.30 173.98 2hw0 s TRP 17 N 1.69 -0.40 0.28 -0.53 0.52 -0.94 -4.06 118.94 115.50 2hw0 s TRP 17 Ca -0.01 0.94 0.08 0.00 0.02 0.00 0.00 56.10 57.12 2hw0 s TRP 17 Cb -0.12 0.14 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 2hw0 s TRP 17 CO -0.03 -0.22 0.16 0.14 0.02 0.00 0.00 176.95 177.02 2hw0 s VAL 18 N 0.67 3.91 0.01 4.03 -7.23 0.69 -1.93 120.40 120.55 2hw0 s VAL 18 Ca -0.04 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 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 -0.31 -0.02 0.72 -0.31 0.00 0.00 175.10 175.13 2hw0 s PHE 19 N -2.24 0.21 -0.15 2.82 -0.71 -0.97 -1.53 117.98 115.42 2hw0 s PHE 19 Ca 0.34 -0.24 -0.07 0.00 -1.04 0.00 0.00 56.93 55.92 2hw0 s PHE 19 Cb -0.07 -0.14 0.06 0.00 -1.21 0.00 0.00 43.02 41.66 2hw0 s PHE 19 CO 0.24 -0.07 0.35 0.95 -1.34 0.00 0.00 175.22 175.34 2hw0 s THR 20 N -0.64 -0.11 -0.02 -4.49 -4.23 0.89 -2.53 115.64 104.52 2hw0 s THR 20 Ca -0.06 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2hw0 s THR 20 Cb -0.05 -0.53 0.02 0.00 1.34 0.00 0.00 72.50 73.28 2hw0 s THR 20 CO -0.00 0.05 0.03 -0.22 -0.54 0.00 0.00 174.62 173.94 2hw0 s LEU 21 N 1.52 1.33 0.10 4.79 2.96 -0.92 -1.57 118.68 126.88 2hw0 s LEU 21 Ca -0.08 0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 53.62 2hw0 s LEU 21 Cb -0.10 -0.00 -0.06 0.00 0.50 0.00 0.00 46.19 46.53 2hw0 s LEU 21 CO -0.11 -0.09 0.84 0.21 -1.32 0.00 0.00 176.35 175.87 2hw0 s ASN 22 N 0.74 7.35 -0.89 3.68 3.84 -1.26 -0.24 114.94 128.16 2hw0 s ASN 22 Ca -0.06 1.61 -0.06 0.00 0.21 0.00 0.00 52.86 54.56 2hw0 s ASN 22 Cb -0.09 -2.52 -0.00 0.00 -0.55 0.00 0.00 41.25 38.09 2hw0 s ASN 22 CO -0.02 0.03 0.71 0.59 -2.79 0.00 0.00 177.10 175.62 2hw0 n ASN 23 N 2.52 -6.12 -4.77 -4.21 4.13 0.91 -4.92 115.26 102.80 2hw0 n ASN 23 Ca -0.02 -0.65 -0.38 0.00 1.68 0.00 0.00 54.58 55.21 2hw0 n ASN 23 Cb 0.49 -3.60 -0.02 0.00 -1.54 0.00 0.00 39.78 35.12 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2hw0 s PRO 24 N -4.53 4.01 0.54 3.52 0.04 -1.25 -5.04 135.00 132.30 2hw0 s PRO 24 Ca 0.16 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2hw0 s PRO 24 Cb -0.05 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 2hw0 s PRO 24 CO 0.83 -0.36 0.85 -1.12 0.04 0.00 0.00 177.00 177.24 2hw0 s SER 25 N -1.11 5.85 0.43 6.66 0.01 -1.26 -4.86 113.70 119.42 2hw0 s SER 25 Ca 0.58 0.77 0.15 0.00 1.31 0.00 0.00 55.95 58.75 2hw0 s SER 25 Cb -0.31 -1.89 0.96 0.00 0.21 0.00 0.00 66.02 64.98 2hw0 s SER 25 CO 0.39 -0.87 1.96 -0.33 0.41 0.00 0.00 173.24 174.80 2hw0 h GLU 26 N -0.01 0.00 0.10 12.44 5.08 -1.98 0.26 114.58 130.47 2hw0 h GLU 26 Ca -0.46 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2hw0 h GLU 26 Cb 1.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.51 2hw0 h GLU 26 CO 0.61 0.22 -0.78 -0.44 -1.00 0.00 0.00 179.01 177.62 2hw0 h ASP 27 N 0.00 0.52 -0.17 1.42 5.19 -1.98 -2.35 116.42 119.06 2hw0 h ASP 27 Ca -0.00 -0.88 -0.08 0.00 -0.62 0.00 0.00 57.03 55.45 2hw0 h ASP 27 Cb 0.40 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 2hw0 h ASP 27 CO 0.03 1.35 -0.19 -0.08 -3.12 0.00 0.00 179.24 177.23 2hw0 h GLU 28 N -0.24 0.42 -0.67 3.56 4.22 -1.90 -1.34 114.58 118.64 2hw0 h GLU 28 Ca -0.13 -0.23 -0.06 0.00 0.08 0.00 0.00 59.36 59.02 2hw0 h GLU 28 Cb 1.56 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 2hw0 h GLU 28 CO 0.15 0.81 0.19 -0.09 -2.18 0.00 0.00 179.01 177.88 2hw0 h ARG 29 N 0.06 1.04 -0.19 1.92 2.43 -0.62 -2.50 114.38 116.51 2hw0 h ARG 29 Ca 0.02 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.83 2hw0 h ARG 29 Cb 0.74 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2hw0 h ARG 29 CO 0.05 0.90 -0.47 -0.22 -1.51 0.00 0.00 179.97 178.72 2hw0 h LYS 30 N 0.99 0.50 -0.09 0.20 3.64 -1.41 -1.92 116.57 118.49 2hw0 h LYS 30 Ca 0.21 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2hw0 h LYS 30 Cb 0.31 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2hw0 h LYS 30 CO -0.00 0.86 0.05 -0.22 -2.27 0.00 0.00 179.45 177.87 2hw0 h LYS 31 N 0.40 0.12 -0.47 1.90 3.11 -0.90 0.34 116.57 121.07 2hw0 h LYS 31 Ca 0.02 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 2hw0 h LYS 31 Cb 0.97 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.16 2hw0 h LYS 31 CO 0.09 0.15 -0.05 0.82 -2.81 0.00 0.00 179.45 177.65 2hw0 h ILE 32 N 0.06 1.27 0.00 2.00 2.04 -1.45 -2.05 117.51 119.39 2hw0 h ILE 32 Ca 0.03 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 2hw0 h ILE 32 Cb 0.06 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2hw0 h ILE 32 CO -0.01 0.39 -0.06 -0.09 0.00 0.00 0.00 178.15 178.39 2hw0 h ARG 33 N 0.71 0.00 -0.61 2.37 2.43 -1.20 -2.37 114.38 115.70 2hw0 h ARG 33 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2hw0 h ARG 33 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2hw0 h ARG 33 CO 0.03 0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.30 2hw0 n ASP 34 N -3.17 3.57 -4.71 -3.80 9.92 0.12 -4.98 116.55 113.50 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 -0.53 0.00 0.00 54.79 51.97 2hw0 n ASP 34 Cb 0.35 -0.41 0.13 0.00 -0.64 0.00 0.00 41.12 40.55 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2hw0 s LEU 35 N -1.11 2.85 -0.14 0.64 1.43 -0.80 -4.93 118.68 116.61 2hw0 s LEU 35 Ca 0.44 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2hw0 s LEU 35 Cb 0.23 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.31 -2.64 1.55 -2.16 0.23 0.00 0.00 176.35 173.65 2hw0 s PRO 36 N -4.77 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 63.59 2hw0 s PRO 36 Cb -0.20 -3.96 0.37 0.00 0.04 0.00 0.00 34.50 30.76 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 5.77 1.30 0.00 0.56 3.07 -1.91 -2.61 117.51 123.68 2hw0 h ILE 37 Ca -0.34 -1.48 -0.01 0.00 1.55 0.00 0.00 64.86 64.57 2hw0 h ILE 37 Cb 1.15 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2hw0 h ILE 37 CO 0.98 0.46 -0.06 0.28 -1.05 0.00 0.00 178.15 178.75 2hw0 h SER 38 N 0.32 0.00 0.70 2.16 0.02 -1.99 -2.29 113.55 112.47 2hw0 h SER 38 Ca 0.03 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2hw0 h SER 38 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2hw0 h SER 38 CO 0.07 0.06 -0.59 0.25 -1.14 0.00 0.00 176.83 175.48 2hw0 h LEU 39 N 0.00 0.00 -7.83 5.07 6.46 -1.86 -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 0.40 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.97 2hw0 h LEU 39 CO 0.01 0.59 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.24 2hw0 s PHE 40 N -3.55 2.36 0.57 1.25 0.40 -0.86 -2.55 117.98 115.60 2hw0 s PHE 40 Ca -0.01 -1.48 0.29 0.00 -0.60 0.00 0.00 56.93 55.13 2hw0 s PHE 40 Cb 0.12 -1.64 1.48 0.00 0.51 0.00 0.00 43.02 43.49 2hw0 s PHE 40 CO 0.75 -0.72 1.92 -0.44 0.70 0.00 0.00 175.22 177.43 2hw0 h ASP 41 N 8.00 0.00 -3.30 1.36 3.32 -1.64 -3.39 116.42 120.76 2hw0 h ASP 41 Ca -0.32 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.44 2hw0 h ASP 41 Cb 1.11 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 2hw0 h ASP 41 CO 0.50 0.00 -0.66 -0.47 -1.72 0.00 0.00 179.24 176.88 2hw0 s TYR 42 N -4.75 -0.09 -0.14 4.55 5.04 -1.24 -0.32 117.35 120.40 2hw0 s TYR 42 Ca -0.05 0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 54.99 2hw0 s TYR 42 Cb 0.17 -0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.27 2hw0 s TYR 42 CO 0.62 -0.19 -0.00 0.12 -1.34 0.00 0.00 175.55 174.75 2hw0 s PHE 43 N 1.75 1.04 -0.09 4.97 2.19 -1.00 -0.06 117.98 126.78 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 -0.12 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.05 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.03 2hw0 s ILE 44 N 1.85 0.23 -0.05 3.12 2.07 -0.42 -1.46 121.20 126.54 2hw0 s ILE 44 Ca 0.02 0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.39 2hw0 s ILE 44 Cb -0.15 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 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 2.02 1.98 -0.06 4.00 1.01 -0.29 0.03 120.40 129.09 2hw0 s VAL 45 Ca 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2hw0 s VAL 45 Cb -0.13 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2hw0 s VAL 45 CO -0.05 0.55 -0.09 -0.83 0.00 0.00 0.00 175.10 174.68 2hw0 s GLY 46 N -0.18 0.66 -0.03 4.51 0.00 -0.40 -0.16 107.32 111.72 2hw0 s GLY 46 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 2hw0 s GLY 46 CO 0.03 0.32 0.58 1.85 0.00 0.00 0.00 173.10 175.88 2hw0 s GLU 47 N 0.87 4.31 -0.26 2.90 2.56 0.84 -2.30 118.70 127.62 2hw0 s GLU 47 Ca -0.11 0.69 -0.09 0.00 0.00 0.00 0.00 54.97 55.46 2hw0 s GLU 47 Cb -0.15 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 2hw0 s GLU 47 CO 0.01 0.33 0.12 -2.00 -0.56 0.00 0.00 175.26 173.17 2hw0 s GLU 48 N -0.03 3.81 -0.45 4.30 -6.30 -0.26 -3.73 118.70 116.04 2hw0 s GLU 48 Ca 0.30 -0.40 0.06 0.00 -2.50 0.00 0.00 54.97 52.44 2hw0 s GLU 48 Cb -0.18 -3.47 0.20 0.00 0.00 0.00 0.00 34.13 30.68 2hw0 s GLU 48 CO 0.16 -0.16 0.56 0.41 0.02 0.00 0.00 175.26 176.26 2hw0 n GLY 49 N 4.90 1.28 0.04 -1.50 0.00 -1.26 -1.92 105.19 106.72 2hw0 n GLY 49 Ca -0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.36 -1.93 -3.17 1.61 2.85 -1.26 -4.99 115.26 110.74 2hw0 n ASN 50 Ca 0.22 -0.06 -0.24 0.00 -0.11 0.00 0.00 54.58 54.39 2hw0 n ASN 50 Cb 0.53 -0.01 0.23 0.00 1.24 0.00 0.00 39.78 41.77 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hw0 n GLU 51 N -2.00 -4.25 -1.42 1.20 -0.58 -1.26 -4.74 120.64 107.60 2hw0 n GLU 51 Ca 0.00 -1.13 -0.37 0.00 -0.42 0.00 0.00 57.16 55.24 2hw0 n GLU 51 Cb 0.01 -1.46 0.06 0.00 -0.57 0.00 0.00 31.44 29.47 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2hw0 n GLU 52 N -4.95 0.52 0.00 3.49 0.00 -1.26 -2.70 120.64 115.74 2hw0 n GLU 52 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.48 2hw0 n GLU 52 Cb 0.46 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 29.99 2hw0 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hw0 n GLY 53 N 1.55 3.29 3.64 8.31 0.00 -1.26 -5.03 105.19 115.69 2hw0 n GLY 53 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.78 3.60 0.46 1.61 6.06 -1.10 -5.11 118.95 123.69 2hw0 s ARG 54 Ca 0.00 -0.38 -0.05 0.00 -2.50 0.00 0.00 55.73 52.80 2hw0 s ARG 54 Cb 0.00 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.93 2hw0 s ARG 54 CO 0.00 0.43 0.76 0.95 -2.50 0.00 0.00 175.30 174.94 2hw0 s THR 55 N -0.10 4.91 -0.12 4.11 -4.23 -1.26 -4.73 115.64 114.22 2hw0 s THR 55 Ca 0.05 0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.48 2hw0 s THR 55 Cb -0.12 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2hw0 s THR 55 CO 0.02 -0.77 1.54 -2.16 -0.54 0.00 0.00 174.62 172.71 2hw0 s PRO 56 N -4.56 4.11 -0.00 3.99 0.04 -1.26 -4.74 135.00 132.58 2hw0 s PRO 56 Ca 0.47 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.53 2hw0 s PRO 56 Cb -0.10 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 2hw0 s PRO 56 CO 0.42 -0.91 -0.26 -1.58 0.04 0.00 0.00 177.00 174.72 2hw0 s HIS 57 N 4.14 2.29 -0.09 0.56 2.46 -0.81 -0.07 115.29 123.78 2hw0 s HIS 57 Ca 0.68 -0.43 -0.15 0.00 0.47 0.00 0.00 55.06 55.63 2hw0 s HIS 57 Cb -0.28 -1.45 -0.05 0.00 -0.13 0.00 0.00 32.58 30.67 2hw0 s HIS 57 CO 0.25 0.00 0.39 -1.17 -2.47 0.00 0.00 174.74 171.75 2hw0 s LEU 58 N -0.76 4.34 -0.24 8.88 0.20 0.67 -1.10 118.68 130.66 2hw0 s LEU 58 Ca 0.10 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.66 2hw0 s LEU 58 Cb -0.10 -2.55 0.13 0.00 -0.43 0.00 0.00 46.19 43.24 2hw0 s LEU 58 CO -0.00 0.15 0.41 -1.58 -0.29 0.00 0.00 176.35 175.04 2hw0 s GLN 59 N -0.05 0.37 0.28 1.98 2.00 -0.97 -2.16 119.66 121.11 2hw0 s GLN 59 Ca 0.22 0.68 -0.12 0.00 -2.00 0.00 0.00 55.36 54.14 2hw0 s GLN 59 Cb -0.15 -0.23 0.00 0.00 0.80 0.00 0.00 33.01 33.44 2hw0 s GLN 59 CO 0.09 -0.57 0.53 0.20 -0.50 0.00 0.00 175.29 175.04 2hw0 s GLY 60 N 2.59 0.64 -0.00 2.59 0.00 -1.05 -1.27 107.32 110.82 2hw0 s GLY 60 Ca 0.11 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.93 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 -3.66 1.07 -0.05 1.90 5.36 0.10 -2.28 117.98 120.42 2hw0 s PHE 61 Ca 0.22 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 2hw0 s PHE 61 Cb -0.01 -0.68 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 2hw0 s PHE 61 CO 0.11 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.35 0.66 -0.37 11.12 0.00 -0.81 -1.30 121.76 130.71 2hw0 s ALA 62 Ca 0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 2hw0 s ALA 62 Cb -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.19 0.56 1.21 0.00 0.00 0.00 175.76 177.34 2hw0 s ASN 63 N 1.33 6.35 0.10 0.00 3.84 0.91 -2.22 114.94 125.25 2hw0 s ASN 63 Ca -0.05 -0.04 -0.31 0.00 0.21 0.00 0.00 52.86 52.68 2hw0 s ASN 63 Cb -0.13 -2.29 -0.07 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.56 1.36 -0.36 -2.79 0.00 0.00 177.10 174.73 2hw0 s PHE 64 N 2.53 3.23 0.56 0.43 0.08 0.94 -2.32 117.98 123.44 2hw0 s PHE 64 Ca 0.21 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.54 2hw0 s PHE 64 Cb -0.15 -3.64 1.77 0.00 -0.57 0.00 0.00 43.02 40.42 2hw0 s PHE 64 CO 0.14 -2.24 2.23 0.28 -0.10 0.00 0.00 175.22 175.53 2hw0 h VAL 65 N 4.35 0.53 -4.04 -0.44 2.07 -1.77 -3.42 116.25 113.52 2hw0 h VAL 65 Ca -0.42 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 66.74 2hw0 h VAL 65 Cb 1.21 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2hw0 h VAL 65 CO 0.86 0.02 -0.20 2.29 0.02 0.00 0.00 177.57 180.56 2hw0 n LYS 66 N -3.80 1.04 -3.08 1.57 0.00 -1.26 -4.99 118.16 107.64 2hw0 n LYS 66 Ca -0.03 -1.54 -0.40 0.00 -0.00 0.00 0.00 58.31 56.34 2hw0 n LYS 66 Cb 0.11 0.67 -0.05 0.00 -0.00 0.00 0.00 35.03 35.76 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2hw0 s LYS 67 N -2.72 4.24 0.06 -1.58 3.01 -1.26 -4.20 119.74 117.29 2hw0 s LYS 67 Ca 0.06 0.70 0.02 0.00 -1.01 0.00 0.00 55.97 55.74 2hw0 s LYS 67 Cb 0.00 -3.57 -0.03 0.00 -1.01 0.00 0.00 37.83 33.22 2hw0 s LYS 67 CO 0.04 -0.24 -0.08 -0.65 0.51 0.00 0.00 175.35 174.93 2hw0 s GLN 68 N 1.89 0.65 0.54 1.68 -0.21 -0.94 -4.87 119.66 118.40 2hw0 s GLN 68 Ca 0.31 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2hw0 s GLN 68 Cb -0.16 -0.34 0.04 0.00 1.00 0.00 0.00 33.01 33.55 2hw0 s GLN 68 CO 0.11 0.05 0.76 0.95 -2.12 0.00 0.00 175.29 175.04 2hw0 s THR 69 N -1.95 2.67 0.06 -0.19 -4.23 -1.26 -1.31 115.64 109.43 2hw0 s THR 69 Ca -0.03 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 2hw0 s THR 69 Cb -0.06 -2.96 -0.17 0.00 1.34 0.00 0.00 72.50 70.65 2hw0 s THR 69 CO -0.01 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.78 2hw0 h PHE 70 N 0.12 -0.50 -0.76 3.99 3.57 -1.98 0.31 116.94 121.68 2hw0 h PHE 70 Ca -0.41 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 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 0.34 -0.26 0.46 -0.97 -2.23 0.00 0.00 178.31 175.65 2hw0 h ASN 71 N -0.63 0.91 -0.05 0.41 -1.24 -2.00 -2.60 115.58 110.38 2hw0 h ASN 71 Ca -0.06 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 2hw0 h ASN 71 Cb 0.47 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 2hw0 h ASN 71 CO 0.09 0.70 0.01 0.50 -1.29 0.00 0.00 177.43 177.44 2hw0 h LYS 72 N 1.03 0.09 -0.37 6.67 3.11 -1.93 -2.58 116.57 122.59 2hw0 h LYS 72 Ca 0.27 -0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.20 2hw0 h LYS 72 Cb -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2hw0 h LYS 72 CO -0.05 0.29 0.39 0.28 -2.81 0.00 0.00 179.45 177.55 2hw0 h VAL 73 N -0.13 0.41 0.00 2.00 2.07 -0.19 0.34 116.25 120.76 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 0.69 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 -3.76 0.07 0.28 1.57 5.02 -0.97 -1.63 118.16 118.73 2hw0 n LYS 74 Ca 0.06 0.46 0.17 0.00 -2.02 0.00 0.00 58.31 56.99 2hw0 n LYS 74 Cb 0.56 -1.69 0.69 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.43 -0.12 115.95 122.61 2hw0 h TRP 75 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 2hw0 h TRP 75 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2hw0 h TRP 75 CO 0.00 0.02 -1.41 0.66 -1.28 0.00 0.00 178.44 176.42 2hw0 n TYR 76 N -3.12 0.00 0.58 0.12 4.01 -0.65 -4.62 117.16 113.48 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.31 -0.30 0.43 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.42 0.29 -0.97 7.72 4.77 -0.87 -4.95 117.00 119.57 2hw0 n LEU 77 Ca -0.16 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 2hw0 n LEU 77 Cb 0.59 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2hw0 n LEU 77 CO 0.01 -0.28 -0.37 0.61 -1.33 0.00 0.00 177.39 176.03 2hw0 n GLY 78 N 0.43 -3.37 0.13 -0.72 0.00 -0.06 -4.14 105.19 97.46 2hw0 n GLY 78 Ca 0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.43 0.76 -0.90 4.61 0.00 -1.95 -3.23 119.26 118.12 2hw0 h ALA 79 Ca -0.07 -0.60 0.13 0.00 0.00 0.00 0.00 54.91 54.37 2hw0 h ALA 79 Cb 0.76 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2hw0 h ALA 79 CO 0.03 0.83 0.52 0.07 0.00 0.00 0.00 179.25 180.69 2hw0 h ARG 80 N 0.00 0.75 -5.77 0.00 0.11 -1.95 -3.39 114.38 104.13 2hw0 h ARG 80 Ca -0.01 -0.05 -0.58 0.00 0.10 0.00 0.00 59.98 59.45 2hw0 h ARG 80 Cb 1.29 -0.17 -0.08 0.00 1.11 0.00 0.00 29.97 32.12 2hw0 h ARG 80 CO 0.09 0.50 -0.16 0.00 0.10 0.00 0.00 179.97 180.49 2hw0 s HIS 82 N 0.33 3.12 0.07 0.00 2.46 -0.61 -4.81 115.29 115.85 2hw0 s HIS 82 Ca 0.25 1.08 0.08 0.00 0.47 0.00 0.00 55.06 56.93 2hw0 s HIS 82 Cb -0.15 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2hw0 s HIS 82 CO 0.10 -1.77 -0.18 0.96 -2.47 0.00 0.00 174.74 171.39 2hw0 s ILE 83 N 2.01 2.80 0.16 0.89 -4.36 -1.26 -0.07 121.20 121.37 2hw0 s ILE 83 Ca 0.60 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 59.56 2hw0 s ILE 83 Cb -0.29 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.20 2hw0 s ILE 83 CO 0.25 0.24 0.32 -1.61 0.24 0.00 0.00 174.94 174.39 2hw0 s GLU 84 N -1.72 1.16 0.10 0.37 2.02 -0.58 -4.97 118.70 115.08 2hw0 s GLU 84 Ca 0.16 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 2hw0 s GLU 84 CO 0.07 -0.44 1.10 0.15 0.02 0.00 0.00 175.26 176.16 2hw0 s LYS 85 N -3.93 4.54 0.42 1.61 1.02 -1.26 -0.22 119.74 121.92 2hw0 s LYS 85 Ca 0.14 1.66 -0.06 0.00 0.02 0.00 0.00 55.97 57.73 2hw0 s LYS 85 Cb 0.03 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2hw0 s LYS 85 CO -0.02 -0.04 0.72 0.00 -0.92 0.00 0.00 175.35 175.09 2hw0 s ALA 86 N 0.41 3.46 0.01 5.17 0.00 -1.26 -4.85 121.76 124.70 2hw0 s ALA 86 Ca 0.53 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2hw0 s ALA 86 Cb -0.27 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2hw0 s ALA 86 CO 0.31 -0.15 -0.02 -1.59 0.00 0.00 0.00 175.76 174.31 2hw0 s LYS 87 N -4.33 0.15 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.49 2hw0 s LYS 87 Ca 0.47 -0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 2hw0 s LYS 87 Cb -0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.63 2hw0 s LYS 87 CO 0.39 0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.25 2hw0 n GLY 88 N 2.64 -0.24 3.92 0.59 0.00 -1.26 -4.83 105.19 106.01 2hw0 n GLY 88 Ca -0.15 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.44 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 2.28 0.30 2.61 -4.23 -1.26 -4.97 115.64 110.37 2hw0 s THR 89 Ca 0.00 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2hw0 s THR 89 Cb 0.00 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.53 2hw0 s THR 89 CO 0.00 0.00 1.91 -2.24 -0.54 0.00 0.00 174.62 173.75 2hw0 h ASP 90 N 0.78 0.90 -0.19 3.99 2.03 -1.96 -1.04 116.42 120.93 2hw0 h ASP 90 Ca -0.38 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 55.83 2hw0 h ASP 90 Cb 1.28 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 2hw0 h ASP 90 CO 0.54 0.57 -0.19 -0.61 -1.03 0.00 0.00 179.24 178.52 2hw0 h GLN 91 N 1.02 0.62 -0.32 4.15 5.75 -1.95 0.27 115.11 124.64 2hw0 h GLN 91 Ca 0.40 -0.22 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 2hw0 h GLN 91 Cb 0.23 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 2hw0 h GLN 91 CO -0.15 0.77 -0.38 1.96 -2.65 0.00 0.00 178.83 178.38 2hw0 h GLN 92 N 0.55 0.74 0.19 1.69 4.20 -1.62 -1.80 115.11 119.06 2hw0 h GLN 92 Ca 0.09 -0.37 -0.32 0.00 0.06 0.00 0.00 58.65 58.11 2hw0 h GLN 92 Cb 0.64 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.46 2hw0 h GLN 92 CO 0.05 0.99 -1.36 -0.91 -0.67 0.00 0.00 178.83 176.93 2hw0 h ASN 93 N 0.61 0.84 -0.25 1.46 -0.26 -1.06 -2.15 115.58 114.78 2hw0 h ASN 93 Ca 0.05 -0.84 -0.01 0.00 -0.56 0.00 0.00 56.30 54.95 2hw0 h ASN 93 Cb 0.92 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 2hw0 h ASN 93 CO 0.08 1.64 0.13 0.50 -1.06 0.00 0.00 177.43 178.73 2hw0 h LYS 94 N 0.20 0.34 -0.19 0.81 3.64 -0.46 -1.79 116.57 119.13 2hw0 h LYS 94 Ca -0.22 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.96 2hw0 h LYS 94 Cb 2.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 2hw0 h LYS 94 CO 0.26 0.31 -0.53 1.49 -2.27 0.00 0.00 179.45 178.71 2hw0 h GLU 95 N 0.28 0.54 -0.46 1.90 4.81 -1.43 -2.66 114.58 117.57 2hw0 h GLU 95 Ca 0.09 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2hw0 h GLU 95 Cb 0.07 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2hw0 h GLU 95 CO -0.01 0.94 0.27 -0.92 -0.73 0.00 0.00 179.01 178.55 2hw0 h TYR 96 N 0.42 0.50 -0.24 0.92 5.03 -1.16 0.27 116.97 122.71 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 2hw0 h TYR 96 Cb 1.07 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 2hw0 h TYR 96 CO 0.04 0.29 -0.31 0.00 -1.32 0.00 0.00 178.16 176.85 2hw0 n SER 98 N -4.08 0.49 0.26 0.00 2.88 -0.87 -3.41 113.62 108.89 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 0.45 -0.68 0.92 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.02 0.24 116.57 118.98 2hw0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2hw0 h LYS 99 Cb 0.62 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2hw0 h LYS 99 CO 0.00 0.00 -0.05 0.93 -2.27 0.00 0.00 179.45 178.06 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 3.07 -1.73 -3.46 114.58 114.36 2hw0 h GLU 100 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2hw0 h GLU 100 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2hw0 h GLU 100 CO -0.00 0.05 0.00 0.41 -1.40 0.00 0.00 179.01 178.07 2hw0 n GLY 101 N 0.30 1.12 2.86 -3.84 0.00 0.86 -4.62 105.19 101.86 2hw0 n GLY 101 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.07 1.50 -0.25 1.61 -0.87 -1.24 -5.07 114.94 107.55 2hw0 s ASN 102 Ca 0.00 -0.16 -0.10 0.00 -1.57 0.00 0.00 52.86 51.03 2hw0 s ASN 102 Cb 0.00 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.25 40.63 2hw0 s ASN 102 CO 0.00 -0.12 0.16 -0.76 -2.57 0.00 0.00 177.10 173.82 2hw0 s LEU 103 N 1.48 4.06 -0.03 0.60 2.01 -1.26 -0.11 118.68 125.42 2hw0 s LEU 103 Ca -0.02 0.07 0.08 0.00 0.01 0.00 0.00 54.13 54.26 2hw0 s LEU 103 Cb -0.13 -2.10 -0.24 0.00 0.01 0.00 0.00 46.19 43.73 2hw0 s LEU 103 CO -0.03 0.03 0.71 0.25 1.01 0.00 0.00 176.35 178.32 2hw0 h LEU 104 N 7.75 0.10 -7.06 1.79 7.12 -0.85 -3.44 115.31 120.72 2hw0 h LEU 104 Ca -0.37 -0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.40 2hw0 h LEU 104 Cb 1.18 -0.03 -0.22 0.00 -0.53 0.00 0.00 40.66 41.05 2hw0 h LEU 104 CO 0.63 1.17 0.02 -0.32 -0.13 0.00 0.00 178.44 179.81 2hw0 s MET 105 N -2.61 0.73 -0.25 1.25 0.00 -0.61 -4.96 119.30 112.85 2hw0 s MET 105 Ca -0.07 0.99 -0.01 0.00 0.00 0.00 0.00 55.69 56.59 2hw0 s MET 105 Cb 0.08 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.27 2hw0 s MET 105 CO 0.82 -0.11 0.05 -2.00 0.00 0.00 0.00 175.02 173.78 2hw0 s GLU 106 N 0.75 0.85 0.35 4.11 2.12 -1.26 -1.14 118.70 124.48 2hw0 s GLU 106 Ca -0.03 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.38 2hw0 s GLU 106 Cb -0.05 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.21 2hw0 s GLU 106 CO -0.05 -0.79 0.61 0.00 -0.54 0.00 0.00 175.26 174.49 2hw0 n GLY 108 N -0.54 -1.73 3.68 0.00 0.00 -1.26 -2.38 105.19 102.96 2hw0 n GLY 108 Ca -0.03 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.73 3.24 -0.20 4.61 0.00 0.56 -4.77 121.76 123.48 2hw0 s ALA 109 Ca 0.00 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 2hw0 s ALA 109 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2hw0 s ALA 109 CO 0.00 0.27 1.60 -1.25 0.00 0.00 0.00 175.76 176.38 2hw0 s PRO 110 N -3.68 3.86 0.62 0.00 0.04 -1.26 -4.28 135.00 130.30 2hw0 s PRO 110 Ca 0.32 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 2hw0 s PRO 110 Cb -0.07 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2hw0 s PRO 110 CO 0.21 -1.21 1.10 1.03 0.04 0.00 0.00 177.00 178.17 2hw0 s ARG 111 N 4.54 3.01 0.33 4.56 1.81 -1.26 -5.03 118.95 126.90 2hw0 s ARG 111 Ca 0.71 1.39 -0.08 0.00 -1.72 0.00 0.00 55.73 56.02 2hw0 s ARG 111 Cb -0.25 -1.98 0.01 0.00 -0.45 0.00 0.00 34.95 32.28 2hw0 s ARG 111 CO 0.28 -1.09 0.54 -1.54 -0.68 0.00 0.00 175.30 172.82 2hw0 s SER 112 N -2.48 0.45 -0.08 0.23 1.04 -1.26 -4.01 113.70 107.58 2hw0 s SER 112 Ca 0.67 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.76 2hw0 s SER 112 Cb -0.20 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2hw0 s SER 112 CO 0.38 -1.34 -0.17 1.67 0.98 0.00 0.00 173.24 174.75 2hw0 n GLN 113 N -0.51 0.27 -2.78 4.02 7.27 -1.26 -5.05 117.38 119.34 2hw0 n GLN 113 Ca -0.02 0.11 -0.07 0.00 0.07 0.00 0.00 57.00 57.10 2hw0 n GLN 113 Cb 0.61 -0.97 0.02 0.00 2.41 0.00 0.00 30.24 32.32 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hw0 n GLY 114 N 2.33 0.53 2.95 1.69 0.00 -1.26 -5.05 105.19 106.38 2hw0 n GLY 114 Ca -0.17 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.75 0.45 0.00 1.61 1.13 -1.26 -5.39 117.38 112.17 2hw0 n GLN 115 Ca -0.00 -3.06 0.07 0.00 -1.94 0.00 0.00 57.00 52.07 2hw0 n GLN 115 Cb 0.52 2.22 0.06 0.00 0.11 0.00 0.00 30.24 33.15 2hw0 n GLN 115 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49