#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 0.21 0.07 3.54 0.01 -1.26 -5.18 113.70 111.10 2hw0 s SER 3 Ca 0.00 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.20 2hw0 s SER 3 Cb 0.00 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 2hw0 s SER 3 CO 0.00 -0.79 -0.07 -0.54 0.41 0.00 0.00 173.24 172.25 2hw0 s LYS 4 N -4.02 0.68 0.34 12.44 -0.14 -1.26 -5.17 119.74 122.61 2hw0 s LYS 4 Ca 0.21 -1.05 0.04 0.00 -1.36 0.00 0.00 55.97 53.81 2hw0 s LYS 4 Cb 0.06 -0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 35.93 2hw0 s LYS 4 CO 0.01 0.01 0.16 0.15 -0.76 0.00 0.00 175.35 174.92 2hw0 s LYS 5 N -2.74 1.71 0.00 1.68 3.01 -1.26 -5.08 119.74 117.06 2hw0 s LYS 5 Ca 0.01 -2.00 0.00 0.00 -1.01 0.00 0.00 55.97 52.98 2hw0 s LYS 5 Cb -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 37.83 36.58 2hw0 s LYS 5 CO -0.02 -0.47 0.00 -1.71 0.51 0.00 0.00 175.35 173.66 2hw0 n ASN 6 N -1.10 0.00 0.00 2.83 5.15 -1.26 -5.18 115.26 115.70 2hw0 n ASN 6 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2hw0 n ASN 6 Cb 0.65 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 40.04 2hw0 n ASN 6 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hw0 n GLY 7 N -1.20 0.87 1.08 8.20 0.00 -1.26 -5.07 105.19 107.81 2hw0 n GLY 7 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2hw0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hw0 n ARG 8 N 0.00 0.00 -0.62 1.61 1.74 -1.26 -5.17 116.66 112.96 2hw0 n ARG 8 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 2hw0 n ARG 8 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2hw0 n SER 9 N -2.82 -6.62 -0.48 0.55 7.64 -1.26 -4.98 113.62 105.65 2hw0 n SER 9 Ca 0.00 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2hw0 n SER 9 Cb 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hw0 n GLY 10 N -1.85 -0.65 3.77 0.23 0.00 -1.26 -4.79 105.19 100.64 2hw0 n GLY 10 Ca 0.00 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 3.92 0.27 1.61 0.04 -1.26 -5.05 135.00 134.52 2hw0 s PRO 11 Ca 0.00 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2hw0 s PRO 11 Cb 0.00 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2hw0 s PRO 11 CO 0.00 -0.44 0.13 -0.65 0.04 0.00 0.00 177.00 176.08 2hw0 s GLN 12 N -2.47 2.66 0.31 4.56 1.11 -1.26 -5.03 119.66 119.54 2hw0 s GLN 12 Ca 0.60 -1.22 -0.29 0.00 0.01 0.00 0.00 55.36 54.46 2hw0 s GLN 12 Cb -0.30 -2.40 -0.10 0.00 -1.01 0.00 0.00 33.01 29.20 2hw0 s GLN 12 CO 0.38 0.36 1.23 -1.25 0.01 0.00 0.00 175.29 176.01 2hw0 s PRO 13 N -3.79 4.46 0.46 2.91 0.04 -1.26 -4.91 135.00 132.91 2hw0 s PRO 13 Ca 0.33 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.45 2hw0 s PRO 13 Cb -0.07 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2hw0 s PRO 13 CO 0.23 -0.04 0.07 -1.01 0.04 0.00 0.00 177.00 176.29 2hw0 s HIS 14 N -1.11 1.84 -0.49 0.56 3.76 -0.55 -4.62 115.29 114.67 2hw0 s HIS 14 Ca 0.47 -1.13 0.16 0.00 -0.15 0.00 0.00 55.06 54.41 2hw0 s HIS 14 Cb -0.37 -1.37 0.71 0.00 1.11 0.00 0.00 32.58 32.66 2hw0 s HIS 14 CO 0.48 -0.05 1.62 0.36 -0.85 0.00 0.00 174.74 176.31 2hw0 n LYS 15 N -1.07 4.06 -3.74 1.40 0.00 -1.26 -2.20 118.16 115.35 2hw0 n LYS 15 Ca -0.12 -2.97 -0.16 0.00 -0.00 0.00 0.00 58.31 55.05 2hw0 n LYS 15 Cb 0.66 -2.03 -0.16 0.00 -0.00 0.00 0.00 35.03 33.50 2hw0 n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hw0 s ARG 16 N -2.46 -0.04 -0.16 -1.58 3.00 -1.26 -0.00 118.95 116.45 2hw0 s ARG 16 Ca 0.49 0.27 -0.12 0.00 0.00 0.00 0.00 55.73 56.38 2hw0 s ARG 16 Cb 0.36 -0.32 0.05 0.00 0.00 0.00 0.00 34.95 35.04 2hw0 s ARG 16 CO 0.17 -0.22 0.40 -1.58 0.00 0.00 0.00 175.30 174.07 2hw0 s TRP 17 N 1.43 -0.50 0.28 -0.53 0.52 -0.98 -4.14 118.94 115.02 2hw0 s TRP 17 Ca -0.05 1.15 0.08 0.00 0.02 0.00 0.00 56.10 57.30 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.03 -0.26 0.13 0.14 0.02 0.00 0.00 176.95 176.94 2hw0 s VAL 18 N 0.72 3.71 0.02 4.03 -7.23 0.79 -2.05 120.40 120.40 2hw0 s VAL 18 Ca -0.04 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2hw0 s VAL 18 Cb -0.05 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 2hw0 s VAL 18 CO -0.05 -0.30 -0.06 0.72 -0.31 0.00 0.00 175.10 175.10 2hw0 s PHE 19 N -2.28 0.50 -0.12 2.82 -0.71 -0.89 -1.49 117.98 115.82 2hw0 s PHE 19 Ca 0.34 -0.33 -0.06 0.00 -1.04 0.00 0.00 56.93 55.85 2hw0 s PHE 19 Cb -0.06 -0.31 0.05 0.00 -1.21 0.00 0.00 43.02 41.49 2hw0 s PHE 19 CO 0.23 -0.06 0.28 0.95 -1.34 0.00 0.00 175.22 175.28 2hw0 s THR 20 N -0.86 -0.08 -0.01 -4.49 -4.23 0.86 -2.59 115.64 104.24 2hw0 s THR 20 Ca -0.06 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.07 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.35 2hw0 s THR 20 CO 0.00 0.06 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.91 2hw0 s LEU 21 N 1.42 1.75 0.04 4.79 2.96 -0.71 -1.22 118.68 127.71 2hw0 s LEU 21 Ca -0.08 -0.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.56 2hw0 s LEU 21 Cb -0.10 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.42 2hw0 s LEU 21 CO -0.09 -0.02 0.76 0.54 -1.32 0.00 0.00 176.35 176.22 2hw0 s ASN 22 N 0.28 7.19 -0.90 3.68 4.22 -1.26 -0.67 114.94 127.48 2hw0 s ASN 22 Ca -0.02 1.43 -0.06 0.00 -2.14 0.00 0.00 52.86 52.06 2hw0 s ASN 22 Cb -0.04 -2.46 -0.01 0.00 1.28 0.00 0.00 41.25 40.02 2hw0 s ASN 22 CO -0.01 0.01 0.71 -3.20 -2.04 0.00 0.00 177.10 172.57 2hw0 n ASN 23 N 2.87 -6.19 -4.77 3.54 4.05 0.92 -4.91 115.26 110.77 2hw0 n ASN 23 Ca -0.02 -0.64 -0.40 0.00 0.45 0.00 0.00 54.58 53.97 2hw0 n ASN 23 Cb 0.50 -3.71 -0.03 0.00 1.23 0.00 0.00 39.78 37.78 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 -4.50 4.37 0.35 1.20 0.04 -1.26 -5.02 135.00 130.19 2hw0 s PRO 24 Ca 0.16 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2hw0 s PRO 24 Cb -0.05 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2hw0 s PRO 24 CO 0.82 -0.10 0.60 -1.12 0.04 0.00 0.00 177.00 177.24 2hw0 s SER 25 N -0.73 6.35 0.52 6.66 0.01 -1.26 -4.91 113.70 120.33 2hw0 s SER 25 Ca 0.49 0.65 0.19 0.00 1.31 0.00 0.00 55.95 58.59 2hw0 s SER 25 Cb -0.36 -2.12 1.31 0.00 0.21 0.00 0.00 66.02 65.06 2hw0 s SER 25 CO 0.47 -0.32 2.09 1.05 0.41 0.00 0.00 173.24 176.94 2hw0 h GLU 26 N 0.99 0.01 -0.03 12.44 4.11 -1.98 0.60 114.58 130.72 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 0.01 -0.06 -0.44 0.07 0.00 0.00 179.01 179.22 2hw0 h ASP 27 N 0.01 0.10 -0.11 3.06 5.19 -1.98 -1.90 116.42 120.79 2hw0 h ASP 27 Ca 0.09 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 55.90 2hw0 h ASP 27 Cb 0.35 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2hw0 h ASP 27 CO -0.00 0.68 0.02 -0.33 -3.12 0.00 0.00 179.24 176.49 2hw0 h GLU 28 N -0.47 0.18 -0.53 3.56 3.07 -1.81 -1.68 114.58 116.90 2hw0 h GLU 28 Ca -0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2hw0 h GLU 28 Cb 0.66 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 2hw0 h GLU 28 CO 0.01 0.36 0.35 0.00 -1.40 0.00 0.00 179.01 178.33 2hw0 h ARG 29 N -0.03 0.69 -0.21 2.33 3.08 -1.00 -1.75 114.38 117.49 2hw0 h ARG 29 Ca 0.03 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2hw0 h ARG 29 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2hw0 h ARG 29 CO 0.00 0.45 -0.46 0.87 -1.07 0.00 0.00 179.97 179.77 2hw0 h LYS 30 N 0.71 0.53 0.08 0.04 1.57 -1.12 -0.49 116.57 117.89 2hw0 h LYS 30 Ca 0.20 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2hw0 h LYS 30 Cb -0.07 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2hw0 h LYS 30 CO -0.04 0.88 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.46 2hw0 h LYS 31 N 0.43 -0.11 -0.24 3.15 3.11 -0.42 0.28 116.57 122.77 2hw0 h LYS 31 Ca 0.03 0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.74 2hw0 h LYS 31 Cb 0.97 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 2hw0 h LYS 31 CO 0.09 0.05 -0.42 0.82 -2.81 0.00 0.00 179.45 177.17 2hw0 h ILE 32 N -0.24 1.30 0.00 2.00 2.04 -1.46 -2.36 117.51 118.79 2hw0 h ILE 32 Ca -0.01 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2hw0 h ILE 32 Cb 0.20 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2hw0 h ILE 32 CO 0.02 0.51 -0.06 -0.09 0.00 0.00 0.00 178.15 178.52 2hw0 h ARG 33 N 0.48 0.00 -0.63 2.37 2.43 -0.97 -2.71 114.38 115.36 2hw0 h ARG 33 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2hw0 h ARG 33 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2hw0 h ARG 33 CO 0.08 0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.36 2hw0 n ASP 34 N -3.15 3.82 -4.72 -3.80 8.00 0.98 -4.98 116.55 112.70 2hw0 n ASP 34 Ca 0.01 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.21 2hw0 n ASP 34 Cb 0.40 -0.41 0.13 0.00 -0.02 0.00 0.00 41.12 41.22 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hw0 s LEU 35 N -1.17 2.86 -0.15 0.64 1.43 -0.91 -4.93 118.68 116.44 2hw0 s LEU 35 Ca 0.46 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2hw0 s LEU 35 Cb 0.25 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 2hw0 s LEU 35 CO 0.33 -2.58 1.56 -2.16 0.23 0.00 0.00 176.35 173.73 2hw0 s PRO 36 N -4.79 4.03 0.28 1.29 0.04 -1.26 -4.90 135.00 129.69 2hw0 s PRO 36 Ca 0.64 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.58 2hw0 s PRO 36 Cb -0.20 -3.96 0.41 0.00 0.04 0.00 0.00 34.50 30.79 2hw0 s PRO 36 CO 0.57 -1.01 1.69 -0.84 0.04 0.00 0.00 177.00 177.45 2hw0 h ILE 37 N 5.80 1.30 0.00 0.56 3.07 -1.91 -2.62 117.51 123.70 2hw0 h ILE 37 Ca -0.34 -1.48 -0.02 0.00 1.55 0.00 0.00 64.86 64.57 2hw0 h ILE 37 Cb 1.15 1.60 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2hw0 h ILE 37 CO 0.98 0.45 -0.11 0.28 -1.05 0.00 0.00 178.15 178.70 2hw0 h SER 38 N 0.28 0.00 0.64 2.16 0.02 -1.98 -2.34 113.55 112.32 2hw0 h SER 38 Ca 0.03 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2hw0 h SER 38 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2hw0 h SER 38 CO 0.06 0.11 -0.52 0.25 -1.14 0.00 0.00 176.83 175.59 2hw0 h LEU 39 N 0.00 0.00 -7.81 5.07 6.46 -1.87 -3.41 115.31 113.74 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 0.45 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 40.01 2hw0 h LEU 39 CO 0.01 0.52 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.18 2hw0 s PHE 40 N -3.70 2.36 0.56 1.25 0.40 -0.88 -2.49 117.98 115.48 2hw0 s PHE 40 Ca -0.01 -1.50 0.30 0.00 -0.60 0.00 0.00 56.93 55.11 2hw0 s PHE 40 Cb 0.13 -1.63 1.46 0.00 0.51 0.00 0.00 43.02 43.49 2hw0 s PHE 40 CO 0.74 -0.73 1.90 -0.44 0.70 0.00 0.00 175.22 177.39 2hw0 h ASP 41 N 7.99 0.00 -3.37 1.36 3.32 -1.62 -3.38 116.42 120.72 2hw0 h ASP 41 Ca -0.30 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.42 2hw0 h ASP 41 Cb 1.11 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 2hw0 h ASP 41 CO 0.49 0.00 -0.71 -0.47 -1.72 0.00 0.00 179.24 176.83 2hw0 s TYR 42 N -4.83 -0.00 -0.14 4.55 5.04 -1.24 -0.21 117.35 120.51 2hw0 s TYR 42 Ca -0.05 0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 2hw0 s TYR 42 Cb 0.19 -0.32 0.04 0.00 0.35 0.00 0.00 41.96 42.22 2hw0 s TYR 42 CO 0.67 -0.16 -0.00 0.12 -1.34 0.00 0.00 175.55 174.84 2hw0 s PHE 43 N 1.69 1.10 -0.09 4.97 2.19 -0.99 -0.01 117.98 126.83 2hw0 s PHE 43 Ca -0.02 -0.68 -0.02 0.00 0.33 0.00 0.00 56.93 56.54 2hw0 s PHE 43 Cb -0.12 -1.03 0.04 0.00 -1.31 0.00 0.00 43.02 40.59 2hw0 s PHE 43 CO -0.04 -0.51 0.03 -1.50 1.83 0.00 0.00 175.22 175.03 2hw0 s ILE 44 N 1.83 0.20 0.02 3.12 2.07 -0.39 -1.45 121.20 126.60 2hw0 s ILE 44 Ca 0.02 0.08 0.08 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 2hw0 s ILE 44 CO -0.07 0.11 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.03 1.93 0.04 4.00 1.01 -0.43 0.03 120.40 129.00 2hw0 s VAL 45 Ca 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2hw0 s VAL 45 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2hw0 s VAL 45 CO -0.05 0.41 -0.07 -0.83 0.00 0.00 0.00 175.10 174.55 2hw0 s GLY 46 N -0.92 0.47 -0.15 4.51 0.00 -0.78 -0.85 107.32 109.61 2hw0 s GLY 46 Ca 0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 2hw0 s GLY 46 CO 0.01 -0.75 0.04 1.85 0.00 0.00 0.00 173.10 174.25 2hw0 s GLU 47 N -1.42 3.61 -0.27 2.90 2.56 0.84 -2.29 118.70 124.63 2hw0 s GLU 47 Ca -0.09 -0.36 0.02 0.00 0.00 0.00 0.00 54.97 54.55 2hw0 s GLU 47 Cb -0.09 -3.06 0.07 0.00 2.00 0.00 0.00 34.13 33.05 2hw0 s GLU 47 CO 0.00 0.45 -0.04 -2.00 -0.56 0.00 0.00 175.26 173.11 2hw0 s GLU 48 N -0.14 1.72 0.00 4.30 -6.30 -0.29 -3.67 118.70 114.32 2hw0 s GLU 48 Ca 0.06 -1.32 0.00 0.00 -2.50 0.00 0.00 54.97 51.22 2hw0 s GLU 48 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 34.13 31.23 2hw0 s GLU 48 CO 0.01 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2hw0 n GLY 49 N 4.51 -1.84 1.69 -1.50 0.00 -1.26 -0.31 105.19 106.48 2hw0 n GLY 49 Ca -0.08 0.83 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 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 4.32 -3.82 1.61 4.05 -1.26 -4.76 115.26 115.39 2hw0 n ASN 50 Ca 0.00 -3.78 -0.27 0.00 0.45 0.00 0.00 54.58 50.98 2hw0 n ASN 50 Cb 0.00 -0.59 -0.17 0.00 1.23 0.00 0.00 39.78 40.25 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2hw0 s GLU 51 N -3.49 1.04 0.50 1.20 2.12 -1.26 -5.12 118.70 113.69 2hw0 s GLU 51 Ca 0.51 -0.40 -0.22 0.00 0.36 0.00 0.00 54.97 55.23 2hw0 s GLU 51 Cb 0.43 -1.88 -0.08 0.00 0.26 0.00 0.00 34.13 32.86 2hw0 s GLU 51 CO 0.01 -0.48 0.96 -1.91 -0.54 0.00 0.00 175.26 173.30 2hw0 n GLU 52 N 4.97 1.14 0.00 4.30 2.13 -1.26 -2.11 120.64 129.80 2hw0 n GLU 52 Ca -0.10 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2hw0 n GLU 52 Cb 0.48 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 1.26 3.30 3.43 8.31 0.00 -1.26 -5.02 105.19 115.21 2hw0 n GLY 53 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.60 1.92 0.57 1.61 6.06 -0.90 -5.13 118.95 122.48 2hw0 s ARG 54 Ca 0.00 -1.07 -0.10 0.00 -2.50 0.00 0.00 55.73 52.06 2hw0 s ARG 54 Cb 0.00 -2.11 -0.04 0.00 0.06 0.00 0.00 34.95 32.86 2hw0 s ARG 54 CO 0.00 0.52 0.96 0.95 -2.50 0.00 0.00 175.30 175.23 2hw0 s THR 55 N -0.94 4.75 0.78 4.11 -4.23 -1.26 -4.76 115.64 114.09 2hw0 s THR 55 Ca 0.14 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 2hw0 s THR 55 Cb -0.10 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 69.94 2hw0 s THR 55 CO 0.05 -1.03 1.09 -2.16 -0.54 0.00 0.00 174.62 172.03 2hw0 s PRO 56 N -4.96 2.20 -0.01 3.99 0.04 -1.26 -4.79 135.00 130.20 2hw0 s PRO 56 Ca 0.53 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 2hw0 s PRO 56 Cb -0.11 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2hw0 s PRO 56 CO 0.50 -1.68 0.01 -1.58 0.04 0.00 0.00 177.00 174.28 2hw0 s HIS 57 N -2.91 -0.00 -0.14 0.56 2.46 0.58 -0.06 115.29 115.78 2hw0 s HIS 57 Ca 0.61 0.03 -0.14 0.00 0.47 0.00 0.00 55.06 56.04 2hw0 s HIS 57 Cb -0.17 -0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.56 -0.02 0.30 -1.17 -2.47 0.00 0.00 174.74 171.94 2hw0 s LEU 58 N 0.17 4.27 -0.24 8.88 0.20 0.16 -1.14 118.68 130.98 2hw0 s LEU 58 Ca -0.01 0.55 -0.03 0.00 0.69 0.00 0.00 54.13 55.32 2hw0 s LEU 58 Cb -0.02 -2.38 0.13 0.00 -0.43 0.00 0.00 46.19 43.49 2hw0 s LEU 58 CO -0.00 0.13 0.40 -1.58 -0.29 0.00 0.00 176.35 175.01 2hw0 s GLN 59 N 0.27 0.36 0.21 1.98 2.00 -0.97 -1.73 119.66 121.78 2hw0 s GLN 59 Ca 0.17 0.67 -0.10 0.00 -2.00 0.00 0.00 55.36 54.10 2hw0 s GLN 59 Cb -0.13 -0.25 -0.01 0.00 0.80 0.00 0.00 33.01 33.42 2hw0 s GLN 59 CO 0.05 -0.57 0.37 0.20 -0.50 0.00 0.00 175.29 174.84 2hw0 s GLY 60 N 2.58 0.60 -0.01 2.59 0.00 -1.07 -1.86 107.32 110.16 2hw0 s GLY 60 Ca 0.11 -0.96 0.06 0.00 0.00 0.00 0.00 44.72 43.93 2hw0 s GLY 60 CO -0.16 -0.78 -0.19 -0.12 0.00 0.00 0.00 173.10 171.85 2hw0 s PHE 61 N -4.01 1.66 -0.05 1.90 5.36 0.10 -2.09 117.98 120.86 2hw0 s PHE 61 Ca 0.22 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2hw0 s PHE 61 Cb 0.02 -1.06 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2hw0 s PHE 61 CO 0.06 -0.02 -0.02 0.00 -1.46 0.00 0.00 175.22 173.78 2hw0 s ALA 62 N -0.47 0.61 -0.37 11.12 0.00 -0.87 -1.26 121.76 130.52 2hw0 s ALA 62 Ca 0.07 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 2hw0 s ALA 62 Cb -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2hw0 s ALA 62 CO -0.00 -0.20 0.59 1.21 0.00 0.00 0.00 175.76 177.36 2hw0 s ASN 63 N 1.36 6.37 0.04 0.00 3.84 0.99 -2.31 114.94 125.21 2hw0 s ASN 63 Ca -0.04 -0.02 -0.30 0.00 0.21 0.00 0.00 52.86 52.70 2hw0 s ASN 63 Cb -0.13 -2.30 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.59 1.39 -0.36 -2.79 0.00 0.00 177.10 174.72 2hw0 s PHE 64 N 2.62 2.99 0.61 0.43 0.08 1.00 -2.16 117.98 123.55 2hw0 s PHE 64 Ca 0.22 0.88 0.39 0.00 0.12 0.00 0.00 56.93 58.54 2hw0 s PHE 64 Cb -0.15 -3.65 2.15 0.00 -0.57 0.00 0.00 43.02 40.80 2hw0 s PHE 64 CO 0.15 -2.37 2.31 0.28 -0.10 0.00 0.00 175.22 175.49 2hw0 h VAL 65 N 4.71 0.21 -4.35 -0.44 2.07 -1.76 -3.42 116.25 113.27 2hw0 h VAL 65 Ca -0.39 -0.04 -0.37 0.00 0.82 0.00 0.00 66.70 66.71 2hw0 h VAL 65 Cb 1.19 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2hw0 h VAL 65 CO 0.89 0.01 -0.30 0.29 0.02 0.00 0.00 177.57 178.47 2hw0 n LYS 66 N -3.37 0.88 -3.00 1.57 4.01 -1.26 -5.00 118.16 111.99 2hw0 n LYS 66 Ca -0.03 -2.23 -0.41 0.00 -0.51 0.00 0.00 58.31 55.12 2hw0 n LYS 66 Cb 0.09 1.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.56 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hw0 s LYS 67 N -3.04 4.01 0.12 1.97 -0.14 -1.26 -4.24 119.74 117.16 2hw0 s LYS 67 Ca 0.09 0.58 0.06 0.00 -1.36 0.00 0.00 55.97 55.34 2hw0 s LYS 67 Cb 0.00 -3.70 -0.04 0.00 -1.68 0.00 0.00 37.83 32.42 2hw0 s LYS 67 CO 0.06 -0.58 -0.16 -0.65 -0.76 0.00 0.00 175.35 173.27 2hw0 s GLN 68 N 2.78 1.05 0.54 1.68 -1.52 -0.93 -4.88 119.66 118.37 2hw0 s GLN 68 Ca 0.30 -1.22 0.03 0.00 -1.95 0.00 0.00 55.36 52.53 2hw0 s GLN 68 Cb -0.15 -1.02 0.04 0.00 -0.22 0.00 0.00 33.01 31.67 2hw0 s GLN 68 CO 0.11 0.21 0.75 0.95 -0.25 0.00 0.00 175.29 177.05 2hw0 s THR 69 N -1.89 2.65 0.05 -0.19 -4.23 -1.26 -1.48 115.64 109.29 2hw0 s THR 69 Ca 0.08 -0.77 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 2hw0 s THR 69 Cb -0.06 -2.88 -0.18 0.00 1.34 0.00 0.00 72.50 70.72 2hw0 s THR 69 CO 0.04 0.00 1.51 0.15 -0.54 0.00 0.00 174.62 175.78 2hw0 h PHE 70 N 0.15 -0.59 -0.55 3.99 3.57 -1.96 0.30 116.94 121.84 2hw0 h PHE 70 Ca -0.40 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 2hw0 h PHE 70 Cb 1.29 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 2hw0 h PHE 70 CO 0.32 -0.32 0.12 -0.97 -2.23 0.00 0.00 178.31 175.23 2hw0 h ASN 71 N -0.75 0.80 -0.03 0.41 -0.73 -2.00 -2.81 115.58 110.47 2hw0 h ASN 71 Ca -0.07 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 2hw0 h ASN 71 Cb 0.54 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 2hw0 h ASN 71 CO 0.11 0.80 -0.00 0.50 -0.37 0.00 0.00 177.43 178.46 2hw0 h LYS 72 N 0.83 0.06 -0.33 6.67 1.63 -1.93 -2.78 116.57 120.72 2hw0 h LYS 72 Ca 0.18 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.06 2hw0 h LYS 72 Cb 0.32 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2hw0 h LYS 72 CO 0.00 0.35 0.34 0.28 -3.45 0.00 0.00 179.45 176.97 2hw0 h VAL 73 N -0.24 0.46 0.00 2.00 2.07 -0.28 0.28 116.25 120.53 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 0.33 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 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 -3.83 0.08 0.28 1.57 4.76 -1.05 -1.66 118.16 118.31 2hw0 n LYS 74 Ca 0.05 0.46 0.18 0.00 -2.87 0.00 0.00 58.31 56.13 2hw0 n LYS 74 Cb 0.50 -1.70 0.73 0.00 -1.84 0.00 0.00 35.03 32.73 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -0.57 0.08 115.95 122.67 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 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2hw0 h TRP 75 CO 0.00 0.00 -1.43 0.66 -1.28 0.00 0.00 178.44 176.39 2hw0 n TYR 76 N -3.05 0.00 -0.01 0.12 4.01 -0.66 -4.71 117.16 112.85 2hw0 n TYR 76 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 2hw0 n TYR 76 Cb 0.28 -0.32 0.12 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.34 0.61 0.00 7.72 3.38 -1.57 -3.48 115.31 121.63 2hw0 h LEU 77 Ca -0.22 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2hw0 h LEU 77 Cb 1.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2hw0 h LEU 77 CO -0.13 0.91 0.00 0.61 0.09 0.00 0.00 178.44 179.92 2hw0 n GLY 78 N -0.09 0.00 0.16 0.83 0.00 0.01 -4.58 105.19 101.52 2hw0 n GLY 78 Ca -0.01 -1.59 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 0.82 -0.92 4.61 0.00 -1.96 -3.20 119.26 118.61 2hw0 h ALA 79 Ca 0.00 -0.44 0.20 0.00 0.00 0.00 0.00 54.91 54.67 2hw0 h ALA 79 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2hw0 h ALA 79 CO 0.00 0.60 0.60 0.00 0.00 0.00 0.00 179.25 180.45 2hw0 h ARG 80 N 0.00 0.47 -5.84 0.00 2.47 -1.95 -3.40 114.38 106.13 2hw0 h ARG 80 Ca -0.00 -0.03 -0.67 0.00 -1.26 0.00 0.00 59.98 58.01 2hw0 h ARG 80 Cb 1.15 -0.11 -0.11 0.00 -1.65 0.00 0.00 29.97 29.25 2hw0 h ARG 80 CO 0.06 0.31 -0.56 0.00 0.56 0.00 0.00 179.97 180.35 2hw0 s HIS 82 N -0.98 3.47 0.07 0.00 2.46 -0.36 -4.82 115.29 115.13 2hw0 s HIS 82 Ca 0.15 1.52 0.07 0.00 0.47 0.00 0.00 55.06 57.27 2hw0 s HIS 82 Cb -0.12 -3.24 -0.04 0.00 -0.13 0.00 0.00 32.58 29.06 2hw0 s HIS 82 CO 0.04 -0.48 -0.12 0.96 -2.47 0.00 0.00 174.74 172.67 2hw0 s ILE 83 N 1.76 3.23 0.16 0.89 -4.36 -1.26 -0.10 121.20 121.52 2hw0 s ILE 83 Ca 0.52 -1.18 -0.11 0.00 -0.26 0.00 0.00 60.65 59.61 2hw0 s ILE 83 Cb -0.21 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.04 2hw0 s ILE 83 CO 0.22 0.21 0.32 -0.70 0.24 0.00 0.00 174.94 175.23 2hw0 s GLU 84 N -1.88 1.15 0.09 0.37 2.12 -0.55 -4.97 118.70 115.03 2hw0 s GLU 84 Ca 0.19 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.63 2hw0 s GLU 84 CO 0.10 -0.43 1.07 -1.59 -0.54 0.00 0.00 175.26 173.87 2hw0 s LYS 85 N -3.93 4.57 0.44 4.30 -2.85 -1.26 -0.14 119.74 120.85 2hw0 s LYS 85 Ca 0.14 1.60 -0.06 0.00 -1.00 0.00 0.00 55.97 56.65 2hw0 s LYS 85 Cb 0.03 -3.36 -0.04 0.00 -2.06 0.00 0.00 37.83 32.39 2hw0 s LYS 85 CO -0.02 -0.01 0.75 0.00 0.10 0.00 0.00 175.35 176.17 2hw0 s ALA 86 N 0.42 3.42 -0.07 0.59 0.00 -1.26 -4.86 121.76 120.01 2hw0 s ALA 86 Ca 0.52 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 2hw0 s ALA 86 Cb -0.26 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2hw0 s ALA 86 CO 0.31 -0.19 0.25 -1.59 0.00 0.00 0.00 175.76 174.54 2hw0 s LYS 87 N -4.37 0.39 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.69 2hw0 s LYS 87 Ca 0.48 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.62 2hw0 s LYS 87 Cb -0.10 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2hw0 s LYS 87 CO 0.39 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2hw0 n GLY 88 N 2.47 0.98 3.93 0.59 0.00 -1.26 -4.78 105.19 107.12 2hw0 n GLY 88 Ca -0.16 -2.30 -0.28 0.00 0.00 0.00 0.00 46.02 43.28 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 -1.06 2.09 0.27 2.61 -4.23 -1.26 -3.81 115.64 110.26 2hw0 s THR 89 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2hw0 s THR 89 Cb 0.00 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.18 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 -1.08 0.90 -0.05 3.99 2.03 -1.86 -0.71 116.42 119.64 2hw0 h ASP 90 Ca -0.44 0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 55.78 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2hw0 h ASP 90 CO 0.50 0.49 -0.40 1.56 -1.03 0.00 0.00 179.24 180.36 2hw0 h GLN 91 N 0.98 0.57 -0.72 4.15 1.08 -1.93 -0.13 115.11 119.12 2hw0 h GLN 91 Ca 0.48 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 2hw0 h GLN 91 Cb 0.44 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 2hw0 h GLN 91 CO -0.25 0.88 0.28 1.96 -0.95 0.00 0.00 178.83 180.74 2hw0 h GLN 92 N 0.47 1.09 0.03 1.46 4.20 -1.52 0.26 115.11 121.10 2hw0 h GLN 92 Ca 0.04 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 2hw0 h GLN 92 Cb 0.90 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.52 2hw0 h GLN 92 CO 0.08 0.90 -0.48 -0.91 -0.67 0.00 0.00 178.83 177.75 2hw0 h ASN 93 N 1.04 0.38 -0.51 1.46 -0.26 -1.21 -2.19 115.58 114.28 2hw0 h ASN 93 Ca 0.24 -0.82 -0.01 0.00 -0.56 0.00 0.00 56.30 55.15 2hw0 h ASN 93 Cb 0.23 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 2hw0 h ASN 93 CO -0.02 1.15 0.26 0.50 -1.06 0.00 0.00 177.43 178.27 2hw0 h LYS 94 N -0.36 0.71 -0.30 0.81 3.64 -0.97 -2.56 116.57 117.56 2hw0 h LYS 94 Ca -0.07 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 2hw0 h LYS 94 Cb 1.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2hw0 h LYS 94 CO 0.09 0.57 -0.26 0.93 -2.27 0.00 0.00 179.45 178.52 2hw0 h GLU 95 N 0.67 0.59 0.39 1.90 4.39 -0.58 -2.62 114.58 119.32 2hw0 h GLU 95 Ca 0.18 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2hw0 h GLU 95 Cb 0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2hw0 h GLU 95 CO -0.03 0.80 -0.34 -0.92 -1.16 0.00 0.00 179.01 177.36 2hw0 h TYR 96 N 0.52 -0.91 -0.50 4.33 5.03 -1.03 0.30 116.97 124.71 2hw0 h TYR 96 Ca 0.07 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2hw0 h TYR 96 Cb 0.72 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 2hw0 h TYR 96 CO 0.03 -0.49 0.33 0.00 -1.32 0.00 0.00 178.16 176.71 2hw0 n SER 98 N -4.46 0.50 0.31 0.00 2.88 -0.90 -3.17 113.62 108.78 2hw0 n SER 98 Ca 0.05 0.56 0.19 0.00 -1.33 0.00 0.00 58.87 58.34 2hw0 n SER 98 Cb 0.06 -0.69 1.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.16 -0.74 116.57 118.17 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 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2hw0 h LYS 99 CO 0.00 0.02 0.00 0.93 -2.27 0.00 0.00 179.45 178.13 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.67 -3.46 114.58 116.43 2hw0 h GLU 100 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hw0 h GLU 100 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 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 0.34 1.70 2.89 -3.84 0.00 -0.29 -4.78 105.19 101.22 2hw0 n GLY 101 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.32 1.13 -0.19 1.61 2.47 -1.24 -5.06 114.94 110.34 2hw0 s ASN 102 Ca 0.00 -0.14 -0.09 0.00 0.42 0.00 0.00 52.86 53.05 2hw0 s ASN 102 Cb 0.00 -0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 39.27 2hw0 s ASN 102 CO 0.00 -0.07 0.10 -0.76 -3.72 0.00 0.00 177.10 172.65 2hw0 s LEU 103 N 1.07 4.07 -0.18 3.21 2.01 -1.26 -0.11 118.68 127.49 2hw0 s LEU 103 Ca -0.09 0.19 0.18 0.00 0.01 0.00 0.00 54.13 54.42 2hw0 s LEU 103 Cb -0.14 -2.04 -0.25 0.00 0.01 0.00 0.00 46.19 43.77 2hw0 s LEU 103 CO -0.01 0.20 0.13 -0.11 1.01 0.00 0.00 176.35 177.57 2hw0 n LEU 104 N 3.39 0.06 -3.63 1.79 7.94 -0.03 -4.72 117.00 121.80 2hw0 n LEU 104 Ca -0.17 0.03 -0.12 0.00 -1.11 0.00 0.00 56.01 54.65 2hw0 n LEU 104 Cb 0.52 0.46 -0.07 0.00 0.53 0.00 0.00 43.42 44.86 2hw0 n LEU 104 CO 0.36 0.47 0.39 -0.32 -1.11 0.00 0.00 177.39 177.18 2hw0 s MET 105 N -2.54 0.79 -0.24 1.96 0.00 -0.75 -4.96 119.30 113.56 2hw0 s MET 105 Ca -0.10 1.07 -0.02 0.00 0.00 0.00 0.00 55.69 56.65 2hw0 s MET 105 Cb 0.06 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.29 2hw0 s MET 105 CO 0.83 -0.12 0.06 -2.00 0.00 0.00 0.00 175.02 173.79 2hw0 s GLU 106 N 0.80 0.71 0.35 4.11 2.12 -1.26 -1.32 118.70 124.20 2hw0 s GLU 106 Ca -0.03 -0.70 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 2hw0 s GLU 106 Cb -0.05 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.33 2hw0 s GLU 106 CO -0.06 -0.79 0.59 0.00 -0.54 0.00 0.00 175.26 174.47 2hw0 n GLY 108 N -0.53 -2.03 3.73 0.00 0.00 -1.26 -2.35 105.19 102.74 2hw0 n GLY 108 Ca -0.03 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.23 3.36 -1.03 4.61 0.00 0.71 -4.80 121.76 123.38 2hw0 s ALA 109 Ca 0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 2hw0 s ALA 109 Cb 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 23.12 22.01 2hw0 s ALA 109 CO 0.00 0.24 1.92 -0.35 0.00 0.00 0.00 175.76 177.58 2hw0 n PRO 110 N -1.03 1.54 -2.73 0.00 -0.04 -1.26 -4.35 135.00 127.12 2hw0 n PRO 110 Ca -0.07 -2.24 -0.41 0.00 -0.04 0.00 0.00 63.50 60.74 2hw0 n PRO 110 Cb 0.59 -3.45 -0.05 0.00 -0.04 0.00 0.00 33.50 30.55 2hw0 n PRO 110 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2hw0 s ARG 111 N 6.02 4.72 0.00 0.54 6.06 -1.26 -4.84 118.95 130.18 2hw0 s ARG 111 Ca 0.65 1.46 0.00 0.00 -2.50 0.00 0.00 55.73 55.34 2hw0 s ARG 111 Cb 0.04 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.69 2hw0 s ARG 111 CO 0.14 0.25 0.00 0.45 -2.50 0.00 0.00 175.30 173.64 2hw0 n SER 112 N 2.62 1.05 -4.79 -2.12 2.88 -1.26 -3.58 113.62 108.42 2hw0 n SER 112 Ca 0.02 -1.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.20 2hw0 n SER 112 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2hw0 s GLN 113 N -1.99 4.33 0.63 -1.46 -0.21 -1.25 -4.77 119.66 114.95 2hw0 s GLN 113 Ca 0.00 1.40 -0.11 0.00 0.02 0.00 0.00 55.36 56.67 2hw0 s GLN 113 Cb 0.00 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 2hw0 s GLN 113 CO 0.00 0.03 1.03 0.20 -2.12 0.00 0.00 175.29 174.43 2hw0 s GLY 114 N -1.65 1.68 0.06 3.09 0.00 -1.26 -5.02 107.32 104.22 2hw0 s GLY 114 Ca 0.55 -0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.30 2hw0 s GLY 114 CO 0.24 0.23 -0.20 1.62 0.00 0.00 0.00 173.10 175.00 2hw0 s GLN 115 N -5.11 1.22 0.00 2.90 0.74 -1.26 -5.20 119.66 112.95 2hw0 s GLN 115 Ca 0.56 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.98 2hw0 s GLN 115 Cb -0.11 -1.37 0.00 0.00 1.10 0.00 0.00 33.01 32.63 2hw0 s GLN 115 CO 0.53 0.34 0.00 2.89 -0.55 0.00 0.00 175.29 178.50