#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 7.19 -0.43 3.54 1.04 -1.26 -5.01 113.70 118.78 2hw0 s SER 3 Ca 0.00 2.14 -0.20 0.00 0.48 0.00 0.00 55.95 58.37 2hw0 s SER 3 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.53 2hw0 s SER 3 CO 0.00 -0.19 0.59 -0.54 0.98 0.00 0.00 173.24 174.08 2hw0 s LYS 4 N -1.71 3.24 0.36 4.02 1.02 -1.26 -5.05 119.74 120.36 2hw0 s LYS 4 Ca 0.48 -0.47 -0.27 0.00 0.02 0.00 0.00 55.97 55.73 2hw0 s LYS 4 Cb -0.28 -3.95 -0.09 0.00 -0.52 0.00 0.00 37.83 32.99 2hw0 s LYS 4 CO 0.35 -0.96 1.19 0.21 -0.92 0.00 0.00 175.35 175.23 2hw0 s LYS 5 N 2.63 4.24 -0.29 1.68 2.36 -1.26 -5.03 119.74 124.07 2hw0 s LYS 5 Ca 0.20 1.94 -0.16 0.00 -2.55 0.00 0.00 55.97 55.39 2hw0 s LYS 5 Cb -0.15 -2.88 0.16 0.00 -1.05 0.00 0.00 37.83 33.91 2hw0 s LYS 5 CO 0.17 -0.19 1.03 1.21 1.55 0.00 0.00 175.35 179.13 2hw0 s ASN 6 N -0.91 -0.42 -0.09 1.43 3.84 -1.26 -5.16 114.94 112.37 2hw0 s ASN 6 Ca 0.52 0.68 -0.12 0.00 0.21 0.00 0.00 52.86 54.15 2hw0 s ASN 6 Cb -0.33 1.15 -0.05 0.00 -0.55 0.00 0.00 41.25 41.47 2hw0 s ASN 6 CO 0.43 -0.11 0.30 -0.83 -2.79 0.00 0.00 177.10 174.10 2hw0 s GLY 7 N 1.24 2.30 0.35 1.21 0.00 -1.26 -5.08 107.32 106.08 2hw0 s GLY 7 Ca -0.08 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 2hw0 s GLY 7 CO -0.14 0.10 0.85 -1.60 0.00 0.00 0.00 173.10 172.31 2hw0 s ARG 8 N -0.54 4.22 0.20 2.90 3.52 -1.26 -5.08 118.95 122.92 2hw0 s ARG 8 Ca 0.19 0.97 -0.10 0.00 -0.13 0.00 0.00 55.73 56.66 2hw0 s ARG 8 Cb -0.14 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 2hw0 s ARG 8 CO 0.08 0.14 0.36 -1.12 -0.81 0.00 0.00 175.30 173.95 2hw0 s SER 9 N -2.04 -0.02 0.00 -2.12 0.01 -1.26 -5.10 113.70 103.16 2hw0 s SER 9 Ca 0.55 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2hw0 s SER 9 Cb -0.12 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2hw0 s SER 9 CO 0.17 -0.99 0.76 0.61 0.41 0.00 0.00 173.24 174.21 2hw0 n GLY 10 N -0.29 -2.12 3.77 3.44 0.00 -1.26 -4.78 105.19 103.95 2hw0 n GLY 10 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.38 3.77 0.28 1.61 0.04 -1.26 -5.06 135.00 132.01 2hw0 s PRO 11 Ca 0.00 1.78 0.11 0.00 0.04 0.00 0.00 61.00 62.93 2hw0 s PRO 11 Cb 0.00 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2hw0 s PRO 11 CO 0.00 -0.54 -0.18 -0.65 0.04 0.00 0.00 177.00 175.67 2hw0 s GLN 12 N -2.68 1.66 0.47 4.56 -0.21 -1.26 -5.05 119.66 117.14 2hw0 s GLN 12 Ca 0.63 -1.77 -0.23 0.00 0.02 0.00 0.00 55.36 54.01 2hw0 s GLN 12 Cb -0.29 -1.69 -0.07 0.00 1.00 0.00 0.00 33.01 31.96 2hw0 s GLN 12 CO 0.35 0.29 1.16 -1.25 -2.12 0.00 0.00 175.29 173.72 2hw0 s PRO 13 N -3.54 3.72 0.35 2.91 0.04 -1.26 -4.88 135.00 132.34 2hw0 s PRO 13 Ca 0.30 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2hw0 s PRO 13 Cb -0.04 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2hw0 s PRO 13 CO 0.14 -0.58 0.21 -1.01 0.04 0.00 0.00 177.00 175.81 2hw0 s HIS 14 N -1.56 1.72 -1.02 0.56 3.76 -0.48 -4.67 115.29 113.60 2hw0 s HIS 14 Ca 0.64 -1.50 0.18 0.00 -0.15 0.00 0.00 55.06 54.23 2hw0 s HIS 14 Cb -0.28 -0.87 0.67 0.00 1.11 0.00 0.00 32.58 33.21 2hw0 s HIS 14 CO 0.34 -0.64 1.59 0.36 -0.85 0.00 0.00 174.74 175.54 2hw0 n LYS 15 N -0.70 3.62 -3.91 1.40 0.00 -1.26 -2.23 118.16 115.07 2hw0 n LYS 15 Ca 0.02 -2.82 -0.19 0.00 -0.00 0.00 0.00 58.31 55.32 2hw0 n LYS 15 Cb 0.64 -1.84 -0.17 0.00 -0.00 0.00 0.00 35.03 33.66 2hw0 n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hw0 s ARG 16 N -1.87 0.38 -0.15 -1.58 0.52 -1.26 0.01 118.95 114.99 2hw0 s ARG 16 Ca 0.48 0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.66 2hw0 s ARG 16 Cb 0.31 -0.60 0.05 0.00 0.52 0.00 0.00 34.95 35.23 2hw0 s ARG 16 CO 0.23 -0.17 0.39 -1.58 0.02 0.00 0.00 175.30 174.19 2hw0 s TRP 17 N 1.25 -0.50 0.06 -0.53 0.52 -0.97 -4.10 118.94 114.67 2hw0 s TRP 17 Ca -0.06 1.14 0.04 0.00 0.02 0.00 0.00 56.10 57.23 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.34 2hw0 s TRP 17 CO -0.02 -0.26 -0.01 0.14 0.02 0.00 0.00 176.95 176.81 2hw0 s VAL 18 N 0.73 3.98 0.03 4.03 -7.23 0.90 -1.87 120.40 120.97 2hw0 s VAL 18 Ca -0.04 -0.88 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 2hw0 s VAL 18 Cb -0.05 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2hw0 s VAL 18 CO -0.05 0.22 -0.25 0.72 -0.31 0.00 0.00 175.10 175.43 2hw0 s PHE 19 N -1.21 2.17 -0.15 2.82 -0.71 -0.76 -0.24 117.98 119.91 2hw0 s PHE 19 Ca 0.23 -0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 2hw0 s PHE 19 Cb -0.12 -1.32 0.06 0.00 -1.21 0.00 0.00 43.02 40.43 2hw0 s PHE 19 CO 0.15 0.08 0.34 0.95 -1.34 0.00 0.00 175.22 175.40 2hw0 s THR 20 N -0.75 -0.13 -0.01 -4.49 -4.23 0.00 -2.59 115.64 103.44 2hw0 s THR 20 Ca 0.10 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2hw0 s THR 20 Cb -0.10 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.23 2hw0 s THR 20 CO 0.01 0.06 0.03 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.58 1.62 0.10 4.79 2.96 -0.96 -1.76 118.68 127.01 2hw0 s LEU 21 Ca -0.08 0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.10 0.03 -0.06 0.00 0.50 0.00 0.00 46.19 46.56 2hw0 s LEU 21 CO -0.11 -0.05 0.87 0.54 -1.32 0.00 0.00 176.35 176.28 2hw0 s ASN 22 N 0.39 7.40 -0.86 3.68 2.20 -1.26 -1.88 114.94 124.61 2hw0 s ASN 22 Ca -0.03 1.67 -0.04 0.00 -0.94 0.00 0.00 52.86 53.51 2hw0 s ASN 22 Cb -0.05 -2.54 -0.00 0.00 -2.00 0.00 0.00 41.25 36.66 2hw0 s ASN 22 CO -0.01 0.01 0.69 0.59 -2.94 0.00 0.00 177.10 175.44 2hw0 n ASN 23 N 2.57 -6.33 -4.75 3.54 4.13 0.85 -4.91 115.26 110.37 2hw0 n ASN 23 Ca -0.01 -0.57 -0.41 0.00 1.68 0.00 0.00 54.58 55.27 2hw0 n ASN 23 Cb 0.49 -3.75 -0.03 0.00 -1.54 0.00 0.00 39.78 34.96 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 -4.26 4.42 0.35 3.52 0.04 -1.25 -5.03 135.00 132.79 2hw0 s PRO 24 Ca 0.11 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 2hw0 s PRO 24 Cb -0.03 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2hw0 s PRO 24 CO 0.82 -0.16 0.60 -1.12 0.04 0.00 0.00 177.00 177.18 2hw0 s SER 25 N -0.08 6.35 0.54 6.66 0.01 -1.26 -4.92 113.70 121.00 2hw0 s SER 25 Ca 0.53 0.65 0.19 0.00 1.31 0.00 0.00 55.95 58.63 2hw0 s SER 25 Cb -0.36 -2.12 1.40 0.00 0.21 0.00 0.00 66.02 65.14 2hw0 s SER 25 CO 0.42 -0.31 2.17 -0.33 0.41 0.00 0.00 173.24 175.61 2hw0 h GLU 26 N 1.02 0.00 -0.13 12.44 5.08 -1.98 0.92 114.58 131.94 2hw0 h GLU 26 Ca -0.48 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 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 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.95 2hw0 h ASP 27 N 0.00 0.45 -0.11 1.42 5.19 -1.99 -1.67 116.42 119.70 2hw0 h ASP 27 Ca -0.00 -0.55 -0.06 0.00 -0.62 0.00 0.00 57.03 55.80 2hw0 h ASP 27 Cb 0.00 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 2hw0 h ASP 27 CO 0.00 0.92 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.54 2hw0 h GLU 28 N -0.01 0.31 -0.06 3.56 3.07 -1.80 -2.59 114.58 117.07 2hw0 h GLU 28 Ca 0.01 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 2hw0 h GLU 28 Cb 0.84 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2hw0 h GLU 28 CO 0.06 0.75 -0.06 0.07 -1.40 0.00 0.00 179.01 178.43 2hw0 h ARG 29 N -0.11 0.08 -0.26 2.33 -0.00 -0.92 -2.18 114.38 113.32 2hw0 h ARG 29 Ca 0.01 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.98 59.79 2hw0 h ARG 29 Cb 0.72 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.68 2hw0 h ARG 29 CO 0.04 0.14 -0.57 0.87 -0.00 0.00 0.00 179.97 180.45 2hw0 h LYS 30 N 0.08 0.83 0.21 0.08 1.79 -1.23 -1.43 116.57 116.90 2hw0 h LYS 30 Ca 0.02 -0.54 -0.01 0.00 -2.18 0.00 0.00 60.65 57.94 2hw0 h LYS 30 Cb 0.16 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2hw0 h LYS 30 CO 0.01 1.17 -0.10 -0.22 -1.08 0.00 0.00 179.45 179.23 2hw0 h LYS 31 N 0.63 -0.27 -0.77 3.15 3.64 -1.00 0.27 116.57 122.23 2hw0 h LYS 31 Ca 0.01 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2hw0 h LYS 31 Cb 1.17 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2hw0 h LYS 31 CO 0.12 -0.09 0.26 0.82 -2.27 0.00 0.00 179.45 178.30 2hw0 h ILE 32 N -0.40 1.26 0.00 2.00 2.04 -1.51 -1.75 117.51 119.15 2hw0 h ILE 32 Ca -0.03 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2hw0 h ILE 32 Cb 0.31 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2hw0 h ILE 32 CO 0.05 0.35 -0.07 -0.09 0.00 0.00 0.00 178.15 178.40 2hw0 h ARG 33 N 1.13 0.00 -0.62 2.37 2.43 -1.14 -2.57 114.38 115.99 2hw0 h ARG 33 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2hw0 h ARG 33 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2hw0 h ARG 33 CO -0.01 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.26 2hw0 n ASP 34 N -3.17 3.55 -4.75 -3.80 9.92 0.95 -4.97 116.55 114.28 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 0.38 -0.41 0.10 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.10 2.95 -0.15 0.64 1.43 -0.72 -4.95 118.68 116.78 2hw0 s LEU 35 Ca 0.44 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2hw0 s LEU 35 Cb 0.23 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 2hw0 s LEU 35 CO 0.31 -2.19 1.56 -2.16 0.23 0.00 0.00 176.35 174.10 2hw0 s PRO 36 N -4.88 4.02 0.28 1.29 0.04 -1.26 -4.90 135.00 129.59 2hw0 s PRO 36 Ca 0.62 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.58 2hw0 s PRO 36 Cb -0.18 -3.97 0.41 0.00 0.04 0.00 0.00 34.50 30.81 2hw0 s PRO 36 CO 0.56 -1.02 1.67 -0.84 0.04 0.00 0.00 177.00 177.42 2hw0 h ILE 37 N 5.81 1.33 0.00 0.56 3.07 -1.92 -2.64 117.51 123.72 2hw0 h ILE 37 Ca -0.34 -1.61 -0.00 0.00 1.55 0.00 0.00 64.86 64.45 2hw0 h ILE 37 Cb 1.15 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 39.45 2hw0 h ILE 37 CO 0.98 0.48 -0.01 0.77 -1.05 0.00 0.00 178.15 179.32 2hw0 h SER 38 N 0.20 0.00 0.70 2.16 4.64 -2.00 -2.56 113.55 116.68 2hw0 h SER 38 Ca 0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 2hw0 h SER 38 Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2hw0 h SER 38 CO 0.07 0.01 -0.60 0.25 -0.87 0.00 0.00 176.83 175.69 2hw0 h LEU 39 N 0.00 0.00 -8.16 5.97 6.46 -1.87 -3.43 115.31 114.29 2hw0 h LEU 39 Ca -0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 2hw0 h LEU 39 Cb 0.47 0.00 -0.34 0.00 -0.73 0.00 0.00 40.66 40.05 2hw0 h LEU 39 CO 0.00 0.60 -0.86 -0.36 -0.62 0.00 0.00 178.44 177.19 2hw0 s PHE 40 N -3.55 2.61 0.32 1.25 0.40 -0.97 -2.64 117.98 115.41 2hw0 s PHE 40 Ca -0.01 -1.35 0.36 0.00 -0.60 0.00 0.00 56.93 55.34 2hw0 s PHE 40 Cb 0.12 -1.79 1.93 0.00 0.51 0.00 0.00 43.02 43.79 2hw0 s PHE 40 CO 0.75 -0.63 2.10 0.22 0.70 0.00 0.00 175.22 178.37 2hw0 h ASP 41 N 7.43 0.00 -2.84 1.36 1.82 -1.54 -3.40 116.42 119.25 2hw0 h ASP 41 Ca -0.34 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.20 2hw0 h ASP 41 Cb 1.18 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 40.93 2hw0 h ASP 41 CO 0.56 0.00 -0.31 -0.47 -1.61 0.00 0.00 179.24 177.41 2hw0 s TYR 42 N -3.90 -0.74 -0.14 0.28 5.04 -1.23 -0.17 117.35 116.49 2hw0 s TYR 42 Ca -0.04 1.47 -0.02 0.00 -2.44 0.00 0.00 57.07 56.05 2hw0 s TYR 42 Cb 0.10 0.32 0.04 0.00 0.35 0.00 0.00 41.96 42.77 2hw0 s TYR 42 CO 0.34 -0.43 0.00 0.12 -1.34 0.00 0.00 175.55 174.25 2hw0 s PHE 43 N 2.04 1.07 -0.08 4.97 2.19 -0.98 0.03 117.98 127.21 2hw0 s PHE 43 Ca -0.06 -0.66 -0.02 0.00 0.33 0.00 0.00 56.93 56.52 2hw0 s PHE 43 Cb -0.10 -1.02 0.03 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.13 -0.51 0.03 -1.50 1.83 0.00 0.00 175.22 174.94 2hw0 s ILE 44 N 1.84 0.17 0.11 3.12 2.07 -0.37 -1.40 121.20 126.74 2hw0 s ILE 44 Ca 0.02 0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 2hw0 s ILE 44 Cb -0.15 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 2hw0 s ILE 44 CO -0.07 0.14 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.20 2hw0 s VAL 45 N 2.05 1.73 -0.11 4.00 1.01 -0.57 0.12 120.40 128.64 2hw0 s VAL 45 Ca 0.04 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 2hw0 s VAL 45 Cb -0.13 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.70 2hw0 s VAL 45 CO -0.05 -0.07 0.31 -0.83 0.00 0.00 0.00 175.10 174.45 2hw0 s GLY 46 N -1.95 -0.22 -0.09 4.51 0.00 -0.97 -1.17 107.32 107.43 2hw0 s GLY 46 Ca 0.07 0.81 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 2hw0 s GLY 46 CO 0.04 0.69 0.38 1.85 0.00 0.00 0.00 173.10 176.06 2hw0 s GLU 47 N 0.03 4.12 -0.26 2.90 2.56 -1.15 -2.30 118.70 124.60 2hw0 s GLU 47 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 54.97 55.27 2hw0 s GLU 47 Cb -0.02 -3.34 0.07 0.00 2.00 0.00 0.00 34.13 32.83 2hw0 s GLU 47 CO 0.01 0.40 -0.01 -2.00 -0.56 0.00 0.00 175.26 173.09 2hw0 s GLU 48 N -0.11 1.44 0.00 4.30 2.12 -0.29 -4.38 118.70 121.78 2hw0 s GLU 48 Ca 0.22 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2hw0 s GLU 48 Cb -0.15 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.67 2hw0 s GLU 48 CO 0.09 -0.70 0.57 0.41 -0.54 0.00 0.00 175.26 175.09 2hw0 n GLY 49 N 4.65 0.48 3.44 -1.50 0.00 -1.26 -0.81 105.19 110.19 2hw0 n GLY 49 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 2hw0 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 50 N -0.40 6.80 -0.30 1.61 0.01 -1.26 -4.72 114.94 116.69 2hw0 s ASN 50 Ca 0.00 -2.43 -0.26 0.00 -0.71 0.00 0.00 52.86 49.46 2hw0 s ASN 50 Cb 0.00 -2.38 0.20 0.00 0.41 0.00 0.00 41.25 39.48 2hw0 s ASN 50 CO 0.00 -0.91 1.47 -1.61 -1.51 0.00 0.00 177.10 174.55 2hw0 s GLU 51 N 2.05 0.01 0.13 -0.60 2.02 -1.26 -5.10 118.70 115.96 2hw0 s GLU 51 Ca 0.35 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.05 2hw0 s GLU 51 Cb -0.05 0.01 -0.07 0.00 0.10 0.00 0.00 34.13 34.12 2hw0 s GLU 51 CO -0.06 -0.00 1.14 -2.00 0.02 0.00 0.00 175.26 174.35 2hw0 s GLU 52 N -0.12 4.53 0.00 1.61 2.12 -1.26 -2.88 118.70 122.69 2hw0 s GLU 52 Ca 0.08 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.15 2hw0 s GLU 52 Cb -0.04 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2hw0 s GLU 52 CO -0.16 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2hw0 n GLY 53 N 2.50 1.85 3.94 -1.50 0.00 -1.26 -5.02 105.19 105.70 2hw0 n GLY 53 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 3.02 0.26 1.61 3.52 -1.14 -5.13 118.95 120.79 2hw0 s ARG 54 Ca 0.00 -1.08 0.10 0.00 -0.13 0.00 0.00 55.73 54.62 2hw0 s ARG 54 Cb 0.00 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2hw0 s ARG 54 CO 0.00 0.10 -0.04 0.95 -0.81 0.00 0.00 175.30 175.50 2hw0 s THR 55 N -2.20 3.28 0.31 4.11 -4.23 -1.26 -4.88 115.64 110.77 2hw0 s THR 55 Ca 0.43 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.67 2hw0 s THR 55 Cb -0.08 -2.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 2hw0 s THR 55 CO 0.29 -0.36 1.23 -2.16 -0.54 0.00 0.00 174.62 173.08 2hw0 s PRO 56 N -3.59 4.46 -0.00 3.99 0.04 -1.26 -4.58 135.00 134.06 2hw0 s PRO 56 Ca 0.31 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2hw0 s PRO 56 Cb -0.06 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2hw0 s PRO 56 CO 0.19 -0.04 0.00 -1.58 0.04 0.00 0.00 177.00 175.61 2hw0 s HIS 57 N -1.14 0.01 -0.35 0.56 2.46 0.01 -0.11 115.29 116.73 2hw0 s HIS 57 Ca 0.47 0.01 -0.13 0.00 0.47 0.00 0.00 55.06 55.88 2hw0 s HIS 57 Cb -0.37 -0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.04 2hw0 s HIS 57 CO 0.48 -0.01 0.25 -1.17 -2.47 0.00 0.00 174.74 171.83 2hw0 s LEU 58 N 0.10 4.58 -0.18 8.88 0.20 -0.79 -1.14 118.68 130.34 2hw0 s LEU 58 Ca -0.01 -0.46 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 2hw0 s LEU 58 Cb -0.01 -2.15 0.05 0.00 -0.43 0.00 0.00 46.19 43.65 2hw0 s LEU 58 CO -0.00 -0.26 -0.03 -1.58 -0.29 0.00 0.00 176.35 174.18 2hw0 s GLN 59 N 1.73 1.27 0.17 1.98 2.00 -0.97 -2.27 119.66 123.57 2hw0 s GLN 59 Ca 0.06 -0.53 -0.09 0.00 -2.00 0.00 0.00 55.36 52.80 2hw0 s GLN 59 Cb -0.18 -2.06 -0.01 0.00 0.80 0.00 0.00 33.01 31.57 2hw0 s GLN 59 CO 0.11 -0.49 0.29 0.20 -0.50 0.00 0.00 175.29 174.90 2hw0 s GLY 60 N 1.66 0.52 -0.01 2.59 0.00 -1.07 -2.30 107.32 108.72 2hw0 s GLY 60 Ca -0.00 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.87 2hw0 s GLY 60 CO -0.07 -0.84 -0.20 -0.12 0.00 0.00 0.00 173.10 171.87 2hw0 s PHE 61 N -3.98 1.79 -0.05 1.90 5.36 0.12 -1.82 117.98 121.29 2hw0 s PHE 61 Ca 0.18 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2hw0 s PHE 61 Cb 0.03 -1.14 0.03 0.00 -0.34 0.00 0.00 43.02 41.60 2hw0 s PHE 61 CO 0.01 -0.01 -0.01 0.00 -1.46 0.00 0.00 175.22 173.75 2hw0 s ALA 62 N -0.52 0.59 -0.37 11.12 0.00 -0.78 -1.23 121.76 130.57 2hw0 s ALA 62 Ca 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2hw0 s ALA 62 Cb -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2hw0 s ALA 62 CO -0.00 -0.22 0.50 1.21 0.00 0.00 0.00 175.76 177.25 2hw0 s ASN 63 N 1.40 6.28 0.11 0.00 3.84 0.10 -2.29 114.94 124.39 2hw0 s ASN 63 Ca -0.04 -0.18 -0.31 0.00 0.21 0.00 0.00 52.86 52.54 2hw0 s ASN 63 Cb -0.13 -2.26 -0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2hw0 s ASN 63 CO -0.03 -0.51 1.37 -0.36 -2.79 0.00 0.00 177.10 174.78 2hw0 s PHE 64 N 2.37 3.26 0.60 0.43 0.08 0.10 -1.72 117.98 123.10 2hw0 s PHE 64 Ca 0.17 0.99 0.34 0.00 0.12 0.00 0.00 56.93 58.55 2hw0 s PHE 64 Cb -0.16 -3.66 1.97 0.00 -0.57 0.00 0.00 43.02 40.61 2hw0 s PHE 64 CO 0.14 -2.28 2.28 0.28 -0.10 0.00 0.00 175.22 175.54 2hw0 h VAL 65 N 4.27 0.38 -4.01 -0.44 2.07 -1.78 -3.42 116.25 113.31 2hw0 h VAL 65 Ca -0.42 -0.04 -0.28 0.00 0.82 0.00 0.00 66.70 66.78 2hw0 h VAL 65 Cb 1.21 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 2hw0 h VAL 65 CO 0.86 0.01 -0.22 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.61 0.90 -2.99 1.57 0.00 -1.26 -4.98 118.16 107.80 2hw0 n LYS 66 Ca -0.03 -1.67 -0.41 0.00 -0.00 0.00 0.00 58.31 56.21 2hw0 n LYS 66 Cb 0.09 0.81 -0.05 0.00 -0.00 0.00 0.00 35.03 35.88 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 -2.77 4.29 0.05 -1.58 3.01 -1.26 -4.21 119.74 117.26 2hw0 s LYS 67 Ca 0.08 0.86 0.03 0.00 -1.01 0.00 0.00 55.97 55.93 2hw0 s LYS 67 Cb 0.00 -3.56 -0.03 0.00 -1.01 0.00 0.00 37.83 33.24 2hw0 s LYS 67 CO 0.06 -0.25 -0.09 -0.65 0.51 0.00 0.00 175.35 174.93 2hw0 s GLN 68 N 1.90 0.58 0.57 1.68 -1.52 -0.95 -4.88 119.66 117.05 2hw0 s GLN 68 Ca 0.35 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.95 2hw0 s GLN 68 Cb -0.16 -0.37 0.04 0.00 -0.22 0.00 0.00 33.01 32.29 2hw0 s GLN 68 CO 0.12 0.07 0.80 0.95 -0.25 0.00 0.00 175.29 176.99 2hw0 s THR 69 N -1.46 2.63 0.06 -0.19 -4.23 -1.26 -1.38 115.64 109.81 2hw0 s THR 69 Ca -0.08 -0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 2hw0 s THR 69 Cb -0.09 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.57 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 -0.01 -0.46 -0.87 3.99 3.57 -1.97 0.29 116.94 121.48 2hw0 h PHE 70 Ca -0.42 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2hw0 h PHE 70 Cb 1.30 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.15 2hw0 h PHE 70 CO 0.37 -0.24 0.47 -0.97 -2.23 0.00 0.00 178.31 175.71 2hw0 h ASN 71 N -0.58 1.10 0.02 0.41 -0.73 -2.00 -2.57 115.58 111.23 2hw0 h ASN 71 Ca -0.05 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.01 2hw0 h ASN 71 Cb 0.43 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2hw0 h ASN 71 CO 0.08 0.89 -0.01 0.50 -0.37 0.00 0.00 177.43 178.52 2hw0 h LYS 72 N 1.22 -0.02 -0.27 6.67 1.63 -1.92 -2.68 116.57 121.20 2hw0 h LYS 72 Ca 0.31 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.19 2hw0 h LYS 72 Cb 0.04 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2hw0 h LYS 72 CO -0.05 0.25 0.33 0.28 -3.45 0.00 0.00 179.45 176.81 2hw0 h VAL 73 N -0.29 0.36 0.00 2.00 2.07 -0.26 0.29 116.25 120.43 2hw0 h VAL 73 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hw0 h VAL 73 Cb 0.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 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 -3.65 0.08 0.28 1.57 5.02 -0.98 -1.73 118.16 118.74 2hw0 n LYS 74 Ca 0.04 0.45 0.18 0.00 -2.02 0.00 0.00 58.31 56.96 2hw0 n LYS 74 Cb 0.47 -1.70 0.75 0.00 -0.02 0.00 0.00 35.03 34.53 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -0.54 0.70 115.95 123.31 2hw0 h TRP 75 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 2hw0 h TRP 75 Cb 0.15 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 -1.52 0.66 -1.28 0.00 0.00 178.44 176.30 2hw0 n TYR 76 N -3.05 0.00 0.58 0.12 4.01 -0.71 -4.61 117.16 113.51 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2hw0 n TYR 76 Cb 0.27 -0.35 0.43 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.46 0.27 -0.91 7.72 4.77 -0.98 -4.92 117.00 119.49 2hw0 n LEU 77 Ca -0.19 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 2hw0 n LEU 77 Cb 0.63 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2hw0 n LEU 77 CO 0.01 -0.27 -0.34 0.61 -1.33 0.00 0.00 177.39 176.06 2hw0 n GLY 78 N 0.44 -3.32 0.12 -0.72 0.00 0.24 -4.17 105.19 97.77 2hw0 n GLY 78 Ca 0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.41 0.75 -0.75 4.61 0.00 -1.95 -3.17 119.26 118.35 2hw0 h ALA 79 Ca -0.06 -0.64 0.19 0.00 0.00 0.00 0.00 54.91 54.39 2hw0 h ALA 79 Cb 0.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2hw0 h ALA 79 CO 0.02 0.88 0.52 0.07 0.00 0.00 0.00 179.25 180.75 2hw0 h ARG 80 N 0.00 0.20 -5.77 0.00 -0.00 -1.95 -3.40 114.38 103.47 2hw0 h ARG 80 Ca -0.01 -0.01 -0.67 0.00 -0.00 0.00 0.00 59.98 59.29 2hw0 h ARG 80 Cb 1.31 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.97 31.15 2hw0 h ARG 80 CO 0.09 0.13 -0.52 0.00 -0.00 0.00 0.00 179.97 179.67 2hw0 s HIS 82 N -1.05 3.82 -0.07 0.00 2.46 -0.72 -4.83 115.29 114.89 2hw0 s HIS 82 Ca 0.17 1.73 0.02 0.00 0.47 0.00 0.00 55.06 57.44 2hw0 s HIS 82 Cb -0.12 -2.98 -0.03 0.00 -0.13 0.00 0.00 32.58 29.33 2hw0 s HIS 82 CO 0.06 0.26 -0.11 0.42 -2.47 0.00 0.00 174.74 172.90 2hw0 s ILE 83 N -0.18 3.32 0.22 0.89 1.01 -1.26 -0.82 121.20 124.38 2hw0 s ILE 83 Ca 0.44 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2hw0 s ILE 83 Cb -0.23 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2hw0 s ILE 83 CO 0.28 0.58 -0.02 -1.61 0.00 0.00 0.00 174.94 174.17 2hw0 s GLU 84 N -0.54 1.31 -0.01 2.79 2.02 0.67 -4.96 118.70 119.99 2hw0 s GLU 84 Ca 0.08 -1.65 -0.24 0.00 0.02 0.00 0.00 54.97 53.17 2hw0 s GLU 84 Cb -0.12 -0.65 -0.05 0.00 0.10 0.00 0.00 34.13 33.42 2hw0 s GLU 84 CO 0.02 -0.07 0.72 0.15 0.02 0.00 0.00 175.26 176.10 2hw0 s LYS 85 N -3.84 4.45 0.26 1.61 1.02 -1.26 -0.07 119.74 121.91 2hw0 s LYS 85 Ca 0.27 0.95 -0.07 0.00 0.02 0.00 0.00 55.97 57.15 2hw0 s LYS 85 Cb 0.05 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 2hw0 s LYS 85 CO 0.08 0.20 0.55 0.00 -0.92 0.00 0.00 175.35 175.26 2hw0 s ALA 86 N 0.29 3.60 -0.10 5.17 0.00 -1.26 -4.83 121.76 124.64 2hw0 s ALA 86 Ca 0.37 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2hw0 s ALA 86 Cb -0.19 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.61 2hw0 s ALA 86 CO 0.20 0.35 0.35 -1.59 0.00 0.00 0.00 175.76 175.08 2hw0 s LYS 87 N -3.25 0.50 0.00 0.00 -2.85 -1.26 -4.92 119.74 107.96 2hw0 s LYS 87 Ca 0.45 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.73 2hw0 s LYS 87 Cb -0.11 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2hw0 s LYS 87 CO 0.27 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.03 2hw0 n GLY 88 N 2.40 0.50 3.95 0.59 0.00 -1.26 -4.77 105.19 106.61 2hw0 n GLY 88 Ca -0.16 -2.32 -0.26 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.65 2.17 0.28 2.61 -4.23 -1.26 -3.91 115.64 110.65 2hw0 s THR 89 Ca 0.00 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 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 1.83 -2.24 -0.54 0.00 0.00 174.62 173.67 2hw0 h ASP 90 N -0.85 0.92 -0.05 3.99 2.03 -1.86 -0.56 116.42 120.04 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.80 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 0.48 0.49 -0.40 -0.61 -1.03 0.00 0.00 179.24 178.18 2hw0 h GLN 91 N 0.99 0.57 -0.73 4.15 5.75 -1.93 0.77 115.11 124.68 2hw0 h GLN 91 Ca 0.49 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 2hw0 h GLN 91 Cb 0.48 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 2hw0 h GLN 91 CO -0.26 0.87 0.30 1.96 -2.65 0.00 0.00 178.83 179.05 2hw0 h GLN 92 N 0.47 1.08 0.10 1.69 4.20 -1.49 0.25 115.11 121.42 2hw0 h GLN 92 Ca 0.04 -0.19 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 2hw0 h GLN 92 Cb 0.89 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.51 2hw0 h GLN 92 CO 0.08 0.88 -0.71 -0.91 -0.67 0.00 0.00 178.83 177.49 2hw0 h ASN 93 N 1.04 0.46 -0.53 1.46 -0.26 -1.23 -2.37 115.58 114.15 2hw0 h ASN 93 Ca 0.24 -0.91 -0.01 0.00 -0.56 0.00 0.00 56.30 55.07 2hw0 h ASN 93 Cb 0.19 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2hw0 h ASN 93 CO -0.02 1.32 0.29 0.50 -1.06 0.00 0.00 177.43 178.46 2hw0 h LYS 94 N -0.34 0.74 -0.25 0.81 3.64 -0.80 -2.49 116.57 117.89 2hw0 h LYS 94 Ca -0.12 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 2hw0 h LYS 94 Cb 1.52 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2hw0 h LYS 94 CO 0.14 0.58 -0.37 0.93 -2.27 0.00 0.00 179.45 178.45 2hw0 h GLU 95 N 0.71 0.55 0.19 1.90 4.39 -0.61 -2.66 114.58 119.05 2hw0 h GLU 95 Ca 0.19 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.63 2hw0 h GLU 95 Cb 0.05 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2hw0 h GLU 95 CO -0.03 0.84 -0.23 -0.92 -1.16 0.00 0.00 179.01 177.51 2hw0 h TYR 96 N 0.46 -0.62 -0.44 4.33 5.03 -1.06 0.30 116.97 124.98 2hw0 h TYR 96 Ca 0.05 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2hw0 h TYR 96 Cb 0.86 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 2hw0 h TYR 96 CO 0.03 -0.34 0.17 0.00 -1.32 0.00 0.00 178.16 176.71 2hw0 n SER 98 N -4.37 0.44 0.33 0.00 2.88 -0.87 -3.28 113.62 108.75 2hw0 n SER 98 Ca 0.03 0.55 0.21 0.00 -1.33 0.00 0.00 58.87 58.33 2hw0 n SER 98 Cb 0.15 -0.67 1.11 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.10 0.14 116.57 118.99 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 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.70 -3.46 114.58 116.39 2hw0 h GLU 100 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hw0 h GLU 100 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 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 0.30 1.67 2.84 -3.84 0.00 0.48 -4.93 105.19 101.72 2hw0 n GLY 101 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.31 1.43 -0.01 1.61 2.47 -1.26 -5.13 114.94 110.73 2hw0 s ASN 102 Ca 0.00 -0.13 -0.15 0.00 0.42 0.00 0.00 52.86 53.00 2hw0 s ASN 102 Cb 0.00 -0.51 -0.06 0.00 -1.45 0.00 0.00 41.25 39.24 2hw0 s ASN 102 CO 0.00 -0.13 0.40 -0.22 -3.72 0.00 0.00 177.10 173.44 2hw0 s LEU 103 N 1.51 4.46 -0.15 3.21 1.98 -1.26 -2.95 118.68 125.48 2hw0 s LEU 103 Ca -0.01 0.94 -0.05 0.00 -2.89 0.00 0.00 54.13 52.12 2hw0 s LEU 103 Cb -0.13 -2.58 -0.07 0.00 0.66 0.00 0.00 46.19 44.07 2hw0 s LEU 103 CO -0.03 0.31 -0.17 -0.11 -1.89 0.00 0.00 176.35 174.45 2hw0 n LEU 104 N 1.95 1.69 -3.81 -0.68 7.94 -0.66 -4.69 117.00 118.73 2hw0 n LEU 104 Ca -0.14 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.73 2hw0 n LEU 104 Cb 0.52 -0.46 -0.14 0.00 0.53 0.00 0.00 43.42 43.87 2hw0 n LEU 104 CO 0.38 0.45 -0.28 -0.32 -1.11 0.00 0.00 177.39 176.51 2hw0 s MET 105 N -2.28 0.07 -0.24 1.96 0.00 -0.32 -4.96 119.30 113.53 2hw0 s MET 105 Ca -0.21 0.17 -0.02 0.00 0.00 0.00 0.00 55.69 55.63 2hw0 s MET 105 Cb 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 34.83 34.93 2hw0 s MET 105 CO 0.29 -0.07 0.06 -2.00 0.00 0.00 0.00 175.02 173.30 2hw0 s GLU 106 N 0.42 0.68 0.34 4.11 -6.30 -1.26 -1.51 118.70 115.19 2hw0 s GLU 106 Ca -0.03 -0.67 -0.08 0.00 -2.50 0.00 0.00 54.97 51.69 2hw0 s GLU 106 Cb -0.05 -2.02 0.01 0.00 0.00 0.00 0.00 34.13 32.08 2hw0 s GLU 106 CO -0.02 -0.78 0.56 0.00 0.02 0.00 0.00 175.26 175.04 2hw0 n GLY 108 N -0.52 -2.01 3.73 0.00 0.00 -1.26 -2.32 105.19 102.81 2hw0 n GLY 108 Ca -0.02 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.29 3.36 -1.04 4.61 0.00 0.76 -4.79 121.76 123.37 2hw0 s ALA 109 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 2hw0 s ALA 109 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.01 2hw0 s ALA 109 CO 0.00 0.25 1.92 -0.35 0.00 0.00 0.00 175.76 177.58 2hw0 n PRO 110 N -1.03 1.55 -2.68 0.00 -0.04 -1.26 -4.26 135.00 127.28 2hw0 n PRO 110 Ca -0.07 -2.26 -0.42 0.00 -0.04 0.00 0.00 63.50 60.71 2hw0 n PRO 110 Cb 0.59 -3.47 -0.03 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 6.04 4.49 0.01 0.54 6.06 -1.26 -4.82 118.95 130.00 2hw0 s ARG 111 Ca 0.65 1.43 0.00 0.00 -2.50 0.00 0.00 55.73 55.31 2hw0 s ARG 111 Cb 0.04 -3.49 0.00 0.00 0.06 0.00 0.00 34.95 31.56 2hw0 s ARG 111 CO 0.14 -0.18 0.01 -1.13 -2.50 0.00 0.00 175.30 171.63 2hw0 n SER 112 N 4.41 0.87 0.00 -2.12 3.41 -1.26 -3.47 113.62 115.46 2hw0 n SER 112 Ca 0.07 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2hw0 n SER 112 Cb 0.50 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2hw0 n SER 112 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2hw0 n GLN 113 N -0.61 0.00 0.00 4.33 7.27 -1.25 -4.77 117.38 122.35 2hw0 n GLN 113 Ca 0.00 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2hw0 n GLN 113 Cb 0.01 -1.03 0.00 0.00 2.41 0.00 0.00 30.24 31.63 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 1.20 3.49 1.97 1.69 0.00 -1.26 -5.11 105.19 107.17 2hw0 n GLY 114 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 6.02 -1.26 -5.13 117.38 118.62 2hw0 n GLN 115 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 2hw0 n GLN 115 Cb 0.00 -0.02 0.89 0.00 1.02 0.00 0.00 30.24 32.13 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59