#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h10 n SER 2 N 0.00 0.00 0.13 4.04 3.41 -1.26 -3.49 113.62 116.46 1h10 n SER 2 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1h10 n SER 2 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 1h10 n SER 2 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1h10 h ASP 3 N 0.00 0.15 -0.64 4.04 3.32 -2.01 -2.86 116.42 118.41 1h10 h ASP 3 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1h10 h ASP 3 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1h10 h ASP 3 CO 0.00 0.49 0.00 1.33 -1.72 0.00 0.00 179.24 179.34 1h10 n VAL 4 N -4.10 1.91 -1.92 -1.35 0.24 -1.23 -0.85 118.33 111.04 1h10 n VAL 4 Ca -0.01 -1.19 -0.40 0.00 -2.04 0.00 0.00 64.34 60.69 1h10 n VAL 4 Cb 0.41 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1h10 n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h10 s ALA 5 N -1.94 3.34 -0.37 2.33 0.00 -1.08 -4.77 121.76 119.27 1h10 s ALA 5 Ca 0.52 1.39 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 1h10 s ALA 5 Cb 0.34 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1h10 s ALA 5 CO 0.24 -0.98 0.91 0.42 0.00 0.00 0.00 175.76 176.35 1h10 s ILE 6 N -1.20 4.59 0.04 0.00 1.01 -1.26 -1.59 121.20 122.79 1h10 s ILE 6 Ca 0.57 1.15 -0.15 0.00 0.00 0.00 0.00 60.65 62.21 1h10 s ILE 6 Cb -0.42 -4.33 -0.33 0.00 0.01 0.00 0.00 42.46 37.39 1h10 s ILE 6 CO 0.55 -0.54 1.04 0.58 0.00 0.00 0.00 174.94 176.57 1h10 h VAL 7 N 5.83 1.29 -2.15 2.92 2.07 -1.11 -3.47 116.25 121.63 1h10 h VAL 7 Ca -0.23 -2.63 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 1h10 h VAL 7 Cb 1.08 2.92 -0.22 0.00 -1.52 0.00 0.00 31.29 33.56 1h10 h VAL 7 CO 0.98 0.79 0.06 -0.75 0.02 0.00 0.00 177.57 178.67 1h10 s LYS 8 N -2.73 0.77 0.00 1.57 2.20 -1.19 -5.03 119.74 115.33 1h10 s LYS 8 Ca -0.09 0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 56.35 1h10 s LYS 8 Cb 0.05 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1h10 s LYS 8 CO 0.94 -0.09 0.15 -1.83 -0.36 0.00 0.00 175.35 174.16 1h10 s GLU 9 N 0.33 0.50 0.00 4.03 -1.05 -1.26 -0.81 118.70 120.44 1h10 s GLU 9 Ca -0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1h10 s GLU 9 Cb -0.05 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1h10 s GLU 9 CO 0.01 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1h10 n GLY 10 N 1.42 1.41 3.81 -3.83 0.00 -0.20 -5.00 105.19 102.80 1h10 n GLY 10 Ca -0.23 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 1h10 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h10 s TRP 11 N -2.00 3.17 0.37 1.61 0.52 -1.26 -0.79 118.94 120.57 1h10 s TRP 11 Ca 0.00 1.58 -0.08 0.00 0.02 0.00 0.00 56.10 57.62 1h10 s TRP 11 Cb 0.00 -2.95 0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1h10 s TRP 11 CO 0.00 -0.48 0.64 -0.48 0.02 0.00 0.00 176.95 176.64 1h10 s LEU 12 N -3.43 0.56 -0.03 2.99 0.05 -0.21 -4.92 118.68 113.68 1h10 s LEU 12 Ca 0.64 -1.36 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1h10 s LEU 12 Cb -0.13 2.15 -0.03 0.00 -2.05 0.00 0.00 46.19 46.13 1h10 s LEU 12 CO 0.18 -1.51 -0.02 -1.00 -0.55 0.00 0.00 176.35 173.45 1h10 s HIS 13 N -2.59 3.05 -0.11 3.48 3.76 -0.74 -0.79 115.29 121.35 1h10 s HIS 13 Ca 0.23 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.25 1h10 s HIS 13 Cb -0.03 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.98 1h10 s HIS 13 CO 0.17 0.43 -0.17 0.21 -0.85 0.00 0.00 174.74 174.53 1h10 s LYS 14 N -1.25 2.38 0.02 1.40 2.20 0.03 -0.66 119.74 123.85 1h10 s LYS 14 Ca 0.16 -0.63 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 1h10 s LYS 14 Cb -0.11 -1.96 -0.05 0.00 -1.51 0.00 0.00 37.83 34.20 1h10 s LYS 14 CO 0.06 -0.02 0.77 0.50 -0.36 0.00 0.00 175.35 176.31 1h10 s ARG 15 N 0.85 4.49 0.64 4.03 3.52 -0.09 -1.12 118.95 131.27 1h10 s ARG 15 Ca -0.09 1.06 -0.18 0.00 -0.13 0.00 0.00 55.73 56.39 1h10 s ARG 15 Cb -0.15 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1h10 s ARG 15 CO 0.00 0.20 0.99 0.41 -0.81 0.00 0.00 175.30 176.10 1h10 n GLY 16 N 2.60 -0.26 0.08 8.12 0.00 0.03 -4.65 105.19 111.10 1h10 n GLY 16 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1h10 n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h10 h GLU 17 N 0.30 0.00 0.00 1.61 4.39 -1.95 -3.38 114.58 115.54 1h10 h GLU 17 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1h10 h GLU 17 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1h10 h GLU 17 CO 0.50 0.90 -0.99 0.66 -1.16 0.00 0.00 179.01 178.92 1h10 n TYR 18 N -3.35 0.00 -3.10 4.33 4.01 -1.26 -4.86 117.16 112.93 1h10 n TYR 18 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 1h10 n TYR 18 Cb 0.89 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.89 1h10 n TYR 18 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1h10 s ILE 19 N -2.00 4.91 -0.28 -0.72 1.01 -1.26 -4.95 121.20 117.90 1h10 s ILE 19 Ca 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 1h10 s ILE 19 Cb 0.00 -4.54 -0.10 0.00 0.01 0.00 0.00 42.46 37.83 1h10 s ILE 19 CO 0.00 -1.19 3.18 0.29 0.00 0.00 0.00 174.94 177.22 1h10 n LYS 20 N 6.06 2.29 -3.13 2.79 5.02 -1.26 -3.79 118.16 126.14 1h10 n LYS 20 Ca -0.00 -1.72 -0.28 0.00 -2.02 0.00 0.00 58.31 54.28 1h10 n LYS 20 Cb 0.44 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.33 1h10 n LYS 20 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1h10 s THR 21 N -0.57 4.96 -0.28 -0.18 -4.23 -1.26 -4.65 115.64 109.43 1h10 s THR 21 Ca 0.63 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 61.05 1h10 s THR 21 Cb 0.34 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1h10 s THR 21 CO -0.11 -0.47 0.85 0.26 -0.54 0.00 0.00 174.62 174.61 1h10 s TRP 22 N -2.27 3.25 -0.10 3.99 0.52 -1.26 -0.79 118.94 122.28 1h10 s TRP 22 Ca 0.46 1.03 0.02 0.00 0.02 0.00 0.00 56.10 57.63 1h10 s TRP 22 Cb -0.10 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.01 1h10 s TRP 22 CO 0.33 -0.51 -0.17 1.03 0.02 0.00 0.00 176.95 177.65 1h10 s ARG 23 N 2.99 3.08 0.16 4.98 0.52 -0.27 -4.87 118.95 125.54 1h10 s ARG 23 Ca 0.35 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1h10 s ARG 23 Cb -0.14 -2.46 -0.08 0.00 0.52 0.00 0.00 34.95 32.79 1h10 s ARG 23 CO 0.10 0.29 1.22 -1.25 0.02 0.00 0.00 175.30 175.68 1h10 s PRO 24 N 0.13 4.46 -0.03 3.54 0.04 -1.26 -0.79 135.00 141.08 1h10 s PRO 24 Ca -0.09 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.79 1h10 s PRO 24 Cb -0.15 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1h10 s PRO 24 CO 0.05 -0.15 0.14 1.03 0.04 0.00 0.00 177.00 178.11 1h10 s ARG 25 N 0.05 0.29 -0.30 4.56 1.81 0.03 -4.80 118.95 120.60 1h10 s ARG 25 Ca 0.55 -0.03 -0.13 0.00 -1.72 0.00 0.00 55.73 54.40 1h10 s ARG 25 Cb -0.33 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.26 1h10 s ARG 25 CO 0.35 -0.05 0.28 -0.47 -0.68 0.00 0.00 175.30 174.73 1h10 s TYR 26 N -0.48 3.23 0.16 -0.53 6.14 -0.18 -1.05 117.35 124.64 1h10 s TYR 26 Ca -0.06 0.13 0.09 0.00 0.64 0.00 0.00 57.07 57.87 1h10 s TYR 26 Cb -0.04 -2.50 -0.04 0.00 0.42 0.00 0.00 41.96 39.80 1h10 s TYR 26 CO 0.01 -0.25 -0.12 -0.06 0.64 0.00 0.00 175.55 175.77 1h10 s PHE 27 N 1.89 2.62 -0.03 4.97 0.40 0.03 -0.94 117.98 126.93 1h10 s PHE 27 Ca 0.10 -0.22 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1h10 s PHE 27 Cb -0.16 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1h10 s PHE 27 CO 0.11 0.47 0.03 -1.17 0.70 0.00 0.00 175.22 175.36 1h10 s LEU 28 N -2.59 0.94 -0.16 -0.37 0.20 0.18 -1.03 118.68 115.84 1h10 s LEU 28 Ca 0.23 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 55.06 1h10 s LEU 28 Cb -0.09 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 1h10 s LEU 28 CO 0.14 -0.14 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.74 1h10 s LEU 29 N 1.26 2.85 0.30 -0.68 2.96 0.01 -0.72 118.68 124.66 1h10 s LEU 29 Ca -0.07 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1h10 s LEU 29 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1h10 s LEU 29 CO -0.03 0.11 0.03 -0.54 -1.32 0.00 0.00 176.35 174.61 1h10 s LYS 30 N 0.66 2.25 0.38 1.98 1.02 -0.48 -0.48 119.74 125.08 1h10 s LYS 30 Ca -0.05 -1.53 0.27 0.00 0.02 0.00 0.00 55.97 54.67 1h10 s LYS 30 Cb -0.15 -2.10 1.32 0.00 -0.52 0.00 0.00 37.83 36.38 1h10 s LYS 30 CO 0.02 0.25 1.81 -0.91 -0.92 0.00 0.00 175.35 175.60 1h10 h ASN 31 N 1.79 0.00 -0.19 2.83 2.35 -1.19 -1.38 115.58 119.78 1h10 h ASN 31 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1h10 h ASN 31 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1h10 h ASN 31 CO 0.62 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.50 1h10 n ASP 32 N -2.45 1.39 0.00 5.81 5.68 -0.03 -4.80 116.55 122.15 1h10 n ASP 32 Ca -0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1h10 n ASP 32 Cb 0.12 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1h10 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h10 n GLY 33 N 1.01 0.85 3.74 6.12 0.00 -0.52 -4.94 105.19 111.45 1h10 n GLY 33 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1h10 n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h10 s THR 34 N -2.47 4.00 -0.29 2.61 -4.23 -1.25 -0.68 115.64 113.32 1h10 s THR 34 Ca 0.00 1.72 0.01 0.00 -1.18 0.00 0.00 61.69 62.24 1h10 s THR 34 Cb 0.00 -4.10 0.09 0.00 1.34 0.00 0.00 72.50 69.83 1h10 s THR 34 CO 0.00 0.29 0.04 0.12 -0.54 0.00 0.00 174.62 174.54 1h10 s PHE 35 N -0.23 2.37 0.00 3.99 5.36 -0.22 -1.38 117.98 127.88 1h10 s PHE 35 Ca 0.49 -2.02 0.08 0.00 -0.96 0.00 0.00 56.93 54.52 1h10 s PHE 35 Cb -0.28 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1h10 s PHE 35 CO 0.34 -0.85 -0.25 0.96 -1.46 0.00 0.00 175.22 173.95 1h10 s ILE 36 N 1.39 1.99 0.15 3.12 -4.36 0.10 -0.90 121.20 122.69 1h10 s ILE 36 Ca 0.05 -1.16 0.09 0.00 -0.26 0.00 0.00 60.65 59.37 1h10 s ILE 36 Cb -0.18 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1h10 s ILE 36 CO -0.15 0.48 -0.22 -0.83 0.24 0.00 0.00 174.94 174.46 1h10 s GLY 37 N -0.81 1.45 0.03 6.27 0.00 -0.08 -0.65 107.32 113.53 1h10 s GLY 37 Ca 0.10 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.39 1h10 s GLY 37 CO 0.00 -1.47 -0.09 -0.19 0.00 0.00 0.00 173.10 171.35 1h10 s TYR 38 N -1.56 0.75 0.17 1.90 2.02 -0.12 -0.40 117.35 120.11 1h10 s TYR 38 Ca 0.14 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.42 1h10 s TYR 38 Cb -0.08 -0.45 0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1h10 s TYR 38 CO 0.07 -0.03 1.56 -0.22 -1.57 0.00 0.00 175.55 175.36 1h10 h LYS 39 N 5.08 0.93 -6.59 -0.62 3.64 -1.87 -0.45 116.57 116.69 1h10 h LYS 39 Ca -0.34 -0.41 -0.67 0.00 -1.27 0.00 0.00 60.65 57.97 1h10 h LYS 39 Cb 1.19 -0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.72 1h10 h LYS 39 CO 0.44 1.06 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.61 1h10 s GLU 40 N -4.61 1.69 0.08 1.90 0.41 -1.26 -4.66 118.70 112.25 1h10 s GLU 40 Ca -0.11 -1.08 -0.32 0.00 -0.41 0.00 0.00 54.97 53.06 1h10 s GLU 40 Cb 0.12 -1.86 -0.11 0.00 -1.78 0.00 0.00 34.13 30.50 1h10 s GLU 40 CO 0.86 0.48 1.84 -2.13 -0.49 0.00 0.00 175.26 175.83 1h10 n ARG 41 N 1.77 2.65 -1.98 1.61 0.63 -1.26 -4.86 116.66 115.22 1h10 n ARG 41 Ca -0.17 0.97 -0.41 0.00 -0.92 0.00 0.00 57.85 57.32 1h10 n ARG 41 Cb 0.52 -2.85 -0.02 0.00 0.45 0.00 0.00 32.46 30.57 1h10 n ARG 41 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1h10 s PRO 42 N 3.03 4.25 -0.00 -0.14 0.02 -1.26 -4.91 135.00 135.98 1h10 s PRO 42 Ca 0.84 2.36 0.10 0.00 0.02 0.00 0.00 61.00 64.32 1h10 s PRO 42 Cb -0.53 -3.05 -0.11 0.00 0.02 0.00 0.00 34.50 30.83 1h10 s PRO 42 CO 0.40 -0.38 0.39 1.04 -0.33 0.00 0.00 177.00 178.13 1h10 n GLN 43 N 1.22 3.37 -4.09 5.54 1.13 -1.26 -4.93 117.38 118.36 1h10 n GLN 43 Ca 0.03 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1h10 n GLN 43 Cb 0.40 -0.99 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 1h10 n GLN 43 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1h10 s ASP 44 N -2.07 0.56 0.29 1.08 1.47 -1.26 -5.04 116.67 111.70 1h10 s ASP 44 Ca 0.03 -1.33 0.02 0.00 1.18 0.00 0.00 52.55 52.44 1h10 s ASP 44 Cb 0.07 0.59 0.43 0.00 -0.34 0.00 0.00 42.92 43.68 1h10 s ASP 44 CO 0.40 -1.18 1.75 0.58 0.68 0.00 0.00 175.17 177.41 1h10 h VAL 45 N 2.23 1.25 -0.75 2.11 2.07 -1.99 -1.97 116.25 119.20 1h10 h VAL 45 Ca -0.29 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1h10 h VAL 45 Cb 1.24 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1h10 h VAL 45 CO 0.40 0.37 0.49 0.44 0.02 0.00 0.00 177.57 179.29 1h10 h ASP 46 N 0.50 0.86 -0.70 0.57 3.45 -1.98 -0.65 116.42 118.47 1h10 h ASP 46 Ca 0.08 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 1h10 h ASP 46 Cb 0.57 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 1h10 h ASP 46 CO 0.04 0.63 0.19 1.56 -1.57 0.00 0.00 179.24 180.08 1h10 h GLN 47 N 1.02 1.11 -0.43 3.56 4.20 -1.90 -2.54 115.11 120.12 1h10 h GLN 47 Ca 0.27 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h10 h GLN 47 Cb -0.12 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1h10 h GLN 47 CO -0.06 0.97 0.29 -0.09 -0.67 0.00 0.00 178.83 179.27 1h10 h ARG 48 N 1.04 0.56 -0.02 1.46 2.43 -0.53 -2.26 114.38 117.07 1h10 h ARG 48 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1h10 h ARG 48 Cb 0.35 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1h10 h ARG 48 CO -0.00 0.37 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 1h10 n GLU 49 N -4.47 1.16 -3.10 0.20 1.02 -0.34 -4.18 120.64 110.92 1h10 n GLU 49 Ca 0.04 -0.24 -0.24 0.00 -0.02 0.00 0.00 57.16 56.70 1h10 n GLU 49 Cb 0.07 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1h10 n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h10 n ALA 50 N -0.64 3.63 -1.38 0.62 0.00 -0.85 -5.09 120.51 116.79 1h10 n ALA 50 Ca 0.19 -4.23 -0.33 0.00 0.00 0.00 0.00 53.44 49.07 1h10 n ALA 50 Cb 0.15 -0.82 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1h10 n ALA 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h10 s PRO 51 N -2.83 2.40 -0.01 0.00 0.04 -1.26 -4.97 135.00 128.36 1h10 s PRO 51 Ca 0.44 1.52 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1h10 s PRO 51 Cb 0.27 -1.89 -0.25 0.00 0.04 0.00 0.00 34.50 32.67 1h10 s PRO 51 CO -0.10 -1.59 1.05 1.25 0.04 0.00 0.00 177.00 177.65 1h10 h LEU 52 N -0.30 0.49 -8.88 -3.56 5.85 -1.10 -3.47 115.31 104.34 1h10 h LEU 52 Ca -0.47 -0.81 -0.69 0.00 0.84 0.00 0.00 57.88 56.76 1h10 h LEU 52 Cb 1.26 -0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.91 1h10 h LEU 52 CO 0.51 1.24 -0.83 0.20 -0.34 0.00 0.00 178.44 179.23 1h10 s ASN 53 N -6.76 3.60 -0.19 1.25 -0.87 -0.47 -4.96 114.94 106.53 1h10 s ASN 53 Ca -0.13 -0.47 -0.05 0.00 -1.57 0.00 0.00 52.86 50.64 1h10 s ASN 53 Cb 0.03 -0.52 0.10 0.00 -0.02 0.00 0.00 41.25 40.83 1h10 s ASN 53 CO 0.82 0.26 0.36 0.21 -2.57 0.00 0.00 177.10 176.18 1h10 s ASN 54 N -1.33 0.10 0.32 -1.22 3.84 -1.26 -0.90 114.94 114.49 1h10 s ASN 54 Ca 0.13 0.64 0.08 0.00 0.21 0.00 0.00 52.86 53.92 1h10 s ASN 54 Cb -0.10 1.09 -0.06 0.00 -0.55 0.00 0.00 41.25 41.62 1h10 s ASN 54 CO 0.04 -0.26 -0.06 -0.36 -2.79 0.00 0.00 177.10 173.68 1h10 s PHE 55 N 2.54 2.18 -0.10 0.43 0.08 -0.08 -4.99 117.98 118.03 1h10 s PHE 55 Ca 0.03 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1h10 s PHE 55 Cb -0.13 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 1h10 s PHE 55 CO -0.12 0.39 -0.22 0.45 -0.10 0.00 0.00 175.22 175.62 1h10 s SER 56 N -3.53 2.87 0.00 1.36 0.15 -1.26 -1.06 113.70 112.23 1h10 s SER 56 Ca 0.32 -0.52 0.23 0.00 0.70 0.00 0.00 55.95 56.67 1h10 s SER 56 Cb 0.04 -1.31 0.49 0.00 -1.71 0.00 0.00 66.02 63.53 1h10 s SER 56 CO 0.14 0.13 1.44 1.33 1.20 0.00 0.00 173.24 177.48 1h10 n VAL 57 N 3.66 0.54 -1.63 4.45 0.24 0.15 -4.37 118.33 121.38 1h10 n VAL 57 Ca -0.20 -0.73 -0.48 0.00 -2.04 0.00 0.00 64.34 60.89 1h10 n VAL 57 Cb 0.53 0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1h10 n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h10 n ALA 58 N 1.38 0.15 -1.85 2.33 0.00 -1.26 -1.60 120.51 119.67 1h10 n ALA 58 Ca 0.20 0.47 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 1h10 n ALA 58 Cb 0.58 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 1h10 n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h10 n GLN 59 N 2.59 -1.57 -1.31 0.00 6.02 -1.26 -4.68 117.38 117.16 1h10 n GLN 59 Ca 0.16 0.99 -0.30 0.00 -0.01 0.00 0.00 57.00 57.84 1h10 n GLN 59 Cb 0.25 -5.43 0.12 0.00 1.02 0.00 0.00 30.24 26.20 1h10 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h10 s GLN 61 N -5.00 2.55 0.29 0.00 -0.21 -0.03 -4.98 119.66 112.28 1h10 s GLN 61 Ca 0.63 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 55.32 1h10 s GLN 61 Cb -0.17 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.27 1h10 s GLN 61 CO 0.56 0.59 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.81 1h10 s LEU 62 N -1.55 2.35 -0.21 2.90 1.43 -1.26 -0.92 118.68 121.42 1h10 s LEU 62 Ca 0.18 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 1h10 s LEU 62 Cb -0.11 -0.50 0.07 0.00 0.03 0.00 0.00 46.19 45.68 1h10 s LEU 62 CO 0.09 -0.46 0.52 -0.54 0.23 0.00 0.00 176.35 176.19 1h10 s LYS 64 N -3.80 0.52 0.19 1.70 1.02 -1.26 -4.98 119.74 113.13 1h10 s LYS 64 Ca 0.32 0.96 0.02 0.00 0.02 0.00 0.00 55.97 57.29 1h10 s LYS 64 Cb 0.06 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 1h10 s LYS 64 CO 0.13 -0.15 0.02 0.95 -0.92 0.00 0.00 175.35 175.37 1h10 s THR 65 N 1.47 0.67 0.00 2.17 -4.23 -0.38 -5.00 115.64 110.34 1h10 s THR 65 Ca -0.10 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1h10 s THR 65 Cb -0.07 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1h10 s THR 65 CO -0.15 -0.38 0.79 -0.62 -0.54 0.00 0.00 174.62 173.72 1h10 n GLU 66 N -0.29 1.48 -4.57 3.99 -0.58 -1.26 -2.07 120.64 117.34 1h10 n GLU 66 Ca -0.05 -1.10 -0.22 0.00 -0.42 0.00 0.00 57.16 55.38 1h10 n GLU 66 Cb 0.64 -0.97 -0.15 0.00 -0.57 0.00 0.00 31.44 30.39 1h10 n GLU 66 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1h10 s ARG 67 N -0.61 1.10 0.08 3.49 1.81 -1.26 -2.61 118.95 120.95 1h10 s ARG 67 Ca 0.00 -0.44 0.27 0.00 -1.72 0.00 0.00 55.73 53.84 1h10 s ARG 67 Cb 0.00 -1.04 1.06 0.00 -0.45 0.00 0.00 34.95 34.52 1h10 s ARG 67 CO 0.00 0.24 1.85 -0.35 -0.68 0.00 0.00 175.30 176.36 1h10 n PRO 68 N 2.90 0.09 -4.59 3.54 -0.04 -1.26 -4.97 135.00 130.67 1h10 n PRO 68 Ca -0.15 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.17 1h10 n PRO 68 Cb 0.55 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 1h10 n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1h10 s ARG 69 N -3.04 1.27 0.77 0.54 0.52 -1.23 -5.14 118.95 112.65 1h10 s ARG 69 Ca 0.12 -0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 1h10 s ARG 69 Cb 0.16 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 34.29 1h10 s ARG 69 CO 0.54 0.34 0.77 -2.30 0.02 0.00 0.00 175.30 174.67 1h10 n PRO 70 N 1.95 0.25 -2.07 3.54 -0.02 -1.07 -3.53 135.00 134.05 1h10 n PRO 70 Ca -0.17 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 1h10 n PRO 70 Cb 0.54 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1h10 n PRO 70 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h10 n ASN 71 N -1.43 -3.63 -4.86 2.55 3.02 -1.24 -4.86 115.26 104.82 1h10 n ASN 71 Ca 0.11 0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.36 1h10 n ASN 71 Cb 0.50 -2.76 -0.06 0.00 -0.61 0.00 0.00 39.78 36.86 1h10 n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1h10 s THR 72 N -2.51 4.82 0.03 3.41 2.01 -0.88 -2.99 115.64 119.53 1h10 s THR 72 Ca 0.00 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.76 1h10 s THR 72 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1h10 s THR 72 CO 0.00 -0.00 -0.05 0.72 -0.69 0.00 0.00 174.62 174.59 1h10 s PHE 73 N -1.75 0.46 -0.09 4.92 -0.71 0.38 -1.25 117.98 119.94 1h10 s PHE 73 Ca 0.46 -0.49 0.04 0.00 -1.04 0.00 0.00 56.93 55.91 1h10 s PHE 73 Cb -0.12 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1h10 s PHE 73 CO 0.20 -0.13 -0.23 0.42 -1.34 0.00 0.00 175.22 174.14 1h10 s ILE 74 N -1.33 2.20 -0.16 -4.49 1.01 -1.26 -0.33 121.20 116.84 1h10 s ILE 74 Ca -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 1h10 s ILE 74 Cb -0.09 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1h10 s ILE 74 CO -0.00 0.56 0.05 -0.63 0.00 0.00 0.00 174.94 174.91 1h10 s ILE 75 N 0.18 4.66 -0.25 2.92 1.01 -0.31 -4.27 121.20 125.14 1h10 s ILE 75 Ca -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1h10 s ILE 75 Cb -0.16 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1h10 s ILE 75 CO 0.07 0.50 -0.00 -0.60 0.00 0.00 0.00 174.94 174.91 1h10 s ARG 76 N 0.06 3.23 0.22 2.79 3.52 -0.10 -1.06 118.95 127.61 1h10 s ARG 76 Ca 0.05 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 54.83 1h10 s ARG 76 Cb -0.12 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1h10 s ARG 76 CO 0.01 -0.30 0.34 0.00 -0.81 0.00 0.00 175.30 174.54 1h10 s LEU 78 N -3.06 4.11 -0.49 0.00 2.96 -1.26 -0.67 118.68 120.26 1h10 s LEU 78 Ca 0.27 0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1h10 s LEU 78 Cb 0.02 -2.37 0.13 0.00 0.50 0.00 0.00 46.19 44.47 1h10 s LEU 78 CO 0.09 -0.06 0.34 -1.58 -1.32 0.00 0.00 176.35 173.82 1h10 s GLN 79 N 1.43 2.41 1.94 1.98 2.00 0.21 -4.54 119.66 125.10 1h10 s GLN 79 Ca 0.15 -1.92 0.00 0.00 -2.00 0.00 0.00 55.36 51.58 1h10 s GLN 79 Cb -0.15 -3.83 0.00 0.00 0.80 0.00 0.00 33.01 29.83 1h10 s GLN 79 CO 0.08 -1.16 0.00 1.87 -0.50 0.00 0.00 175.29 175.57 1h10 n TRP 80 N 4.58 0.00 -0.31 1.67 -0.00 -1.26 -1.66 117.44 120.47 1h10 n TRP 80 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 1h10 n TRP 80 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.72 1h10 n TRP 80 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1h10 n THR 81 N 0.00 0.49 -4.71 5.87 -2.24 -1.26 -5.03 114.28 107.39 1h10 n THR 81 Ca 0.00 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.86 1h10 n THR 81 Cb 0.00 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 68.93 1h10 n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h10 s THR 82 N -0.49 2.88 -0.03 4.28 2.01 -0.66 -5.10 115.64 118.54 1h10 s THR 82 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1h10 s THR 82 Cb 0.00 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1h10 s THR 82 CO 0.00 0.52 1.01 -0.69 -0.69 0.00 0.00 174.62 174.77 1h10 s VAL 83 N 0.52 4.78 0.27 3.82 1.01 -1.26 -0.62 120.40 128.92 1h10 s VAL 83 Ca -0.09 2.01 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1h10 s VAL 83 Cb -0.16 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1h10 s VAL 83 CO 0.04 0.11 -0.11 0.27 0.00 0.00 0.00 175.10 175.41 1h10 s ILE 84 N 1.31 1.89 -0.01 2.22 -4.36 0.15 -4.95 121.20 117.45 1h10 s ILE 84 Ca 0.52 -2.21 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1h10 s ILE 84 Cb -0.21 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1h10 s ILE 84 CO 0.25 -0.38 -0.20 -1.61 0.24 0.00 0.00 174.94 173.24 1h10 s GLU 85 N -3.65 1.57 0.00 0.37 2.02 -1.26 -1.25 118.70 116.50 1h10 s GLU 85 Ca 0.28 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.59 1h10 s GLU 85 Cb 0.01 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 1h10 s GLU 85 CO 0.12 0.42 -0.09 1.03 0.02 0.00 0.00 175.26 176.75 1h10 s ARG 86 N -0.49 0.72 -0.13 1.61 1.81 -0.23 -4.99 118.95 117.26 1h10 s ARG 86 Ca 0.07 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 1h10 s ARG 86 Cb -0.08 -0.69 -0.01 0.00 -0.45 0.00 0.00 34.95 33.72 1h10 s ARG 86 CO -0.01 0.18 -0.14 0.99 -0.68 0.00 0.00 175.30 175.65 1h10 s THR 87 N -0.34 3.01 0.16 0.02 2.01 -1.26 -1.16 115.64 118.07 1h10 s THR 87 Ca 0.02 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1h10 s THR 87 Cb -0.04 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1h10 s THR 87 CO -0.00 0.53 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.98 1h10 s PHE 88 N 0.31 1.38 -0.05 4.92 0.40 0.55 -0.92 117.98 124.58 1h10 s PHE 88 Ca -0.11 -0.69 -0.04 0.00 -0.60 0.00 0.00 56.93 55.49 1h10 s PHE 88 Cb -0.16 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.70 1h10 s PHE 88 CO 0.06 0.16 0.14 -1.58 0.70 0.00 0.00 175.22 174.69 1h10 s HIS 89 N -3.11 -0.15 0.32 0.36 2.46 0.17 -0.47 115.29 114.86 1h10 s HIS 89 Ca 0.17 0.39 0.03 0.00 0.47 0.00 0.00 55.06 56.12 1h10 s HIS 89 Cb 0.01 0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.44 1h10 s HIS 89 CO 0.02 -0.09 0.10 0.14 -2.47 0.00 0.00 174.74 172.44 1h10 s VAL 90 N 0.26 0.78 -1.03 0.89 -7.23 -1.16 -1.80 120.40 111.11 1h10 s VAL 90 Ca -0.02 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1h10 s VAL 90 Cb -0.03 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1h10 s VAL 90 CO -0.01 0.00 1.36 -0.62 -0.31 0.00 0.00 175.10 175.52 1h10 n GLU 91 N -0.66 0.03 -3.99 4.82 -0.58 -1.26 -4.74 120.64 114.25 1h10 n GLU 91 Ca -0.02 -0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.61 1h10 n GLU 91 Cb 0.66 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.93 1h10 n GLU 91 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1h10 s THR 92 N -2.98 0.15 0.44 2.62 -4.23 -1.26 -5.04 115.64 105.34 1h10 s THR 92 Ca 0.11 -1.22 0.16 0.00 -1.18 0.00 0.00 61.69 59.56 1h10 s THR 92 Cb 0.17 -0.83 0.19 0.00 1.34 0.00 0.00 72.50 73.37 1h10 s THR 92 CO 0.71 -0.67 1.99 1.55 -0.54 0.00 0.00 174.62 177.66 1h10 h PRO 93 N 3.89 0.00 -0.70 3.99 0.13 -1.93 -2.26 132.00 135.13 1h10 h PRO 93 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1h10 h PRO 93 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1h10 h PRO 93 CO 0.51 0.19 0.16 0.93 -0.23 0.00 0.00 178.00 179.56 1h10 h GLU 94 N 0.00 1.12 -0.24 0.86 3.07 -1.99 -0.63 114.58 116.77 1h10 h GLU 94 Ca -0.00 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 1h10 h GLU 94 Cb 0.35 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1h10 h GLU 94 CO 0.02 0.99 -0.17 0.93 -1.40 0.00 0.00 179.01 179.39 1h10 h GLU 95 N 1.06 0.54 -0.63 2.33 5.08 -1.94 -0.94 114.58 120.07 1h10 h GLU 95 Ca 0.22 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1h10 h GLU 95 Cb 0.38 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1h10 h GLU 95 CO 0.00 0.83 0.38 -0.09 -1.00 0.00 0.00 179.01 179.14 1h10 h ARG 96 N 0.25 0.71 -0.60 2.33 2.43 -1.15 -1.52 114.38 116.83 1h10 h ARG 96 Ca 0.05 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1h10 h ARG 96 Cb 0.70 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1h10 h ARG 96 CO 0.05 0.47 0.14 1.49 -1.51 0.00 0.00 179.97 180.61 1h10 h GLU 97 N 0.74 0.93 -0.66 0.20 4.57 -0.84 -0.51 114.58 119.01 1h10 h GLU 97 Ca 0.26 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1h10 h GLU 97 Cb 0.06 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1h10 h GLU 97 CO -0.12 0.84 0.42 0.93 -1.18 0.00 0.00 179.01 179.90 1h10 h GLU 98 N 0.89 0.88 -0.06 1.92 5.08 -0.57 -0.32 114.58 122.41 1h10 h GLU 98 Ca 0.19 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1h10 h GLU 98 Cb 0.33 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1h10 h GLU 98 CO 0.00 0.60 -0.04 -1.49 -1.00 0.00 0.00 179.01 177.08 1h10 h TRP 99 N 0.90 0.16 -0.49 4.33 4.06 -0.87 -1.56 115.95 122.48 1h10 h TRP 99 Ca 0.24 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 61.07 1h10 h TRP 99 Cb -0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 1h10 h TRP 99 CO -0.02 0.53 -0.03 1.79 -3.56 0.00 0.00 178.44 177.14 1h10 h THR 100 N -0.26 1.25 -0.44 1.49 1.35 -1.06 -1.42 112.91 113.82 1h10 h THR 100 Ca 0.01 -1.08 -0.08 0.00 -0.55 0.00 0.00 66.41 64.71 1h10 h THR 100 Cb 0.49 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1h10 h THR 100 CO 0.01 0.38 -0.05 0.74 -0.25 0.00 0.00 175.52 176.35 1h10 h THR 101 N 0.77 1.27 -0.62 6.82 2.02 -1.09 -0.69 112.91 121.39 1h10 h THR 101 Ca 0.14 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1h10 h THR 101 Cb 0.51 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1h10 h THR 101 CO 0.03 0.39 0.37 0.00 0.37 0.00 0.00 175.52 176.67 1h10 h ALA 102 N 0.88 0.80 -0.49 6.16 0.00 -0.98 0.67 119.26 126.30 1h10 h ALA 102 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1h10 h ALA 102 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h10 h ALA 102 CO 0.03 0.28 0.18 0.82 0.00 0.00 0.00 179.25 180.56 1h10 h ILE 103 N 0.85 1.22 -0.75 0.00 2.04 -1.12 -1.58 117.51 118.15 1h10 h ILE 103 Ca 0.22 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1h10 h ILE 103 Cb -0.01 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1h10 h ILE 103 CO -0.04 0.26 0.28 -0.61 0.00 0.00 0.00 178.15 178.04 1h10 h GLN 104 N 0.65 1.14 -0.52 2.37 5.75 -0.77 -1.06 115.11 122.67 1h10 h GLN 104 Ca 0.16 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1h10 h GLN 104 Cb 0.23 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1h10 h GLN 104 CO -0.01 0.93 0.29 1.15 -2.65 0.00 0.00 178.83 178.54 1h10 h THR 105 N 1.10 1.17 -0.54 2.39 2.02 -0.55 0.96 112.91 119.47 1h10 h THR 105 Ca 0.25 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1h10 h THR 105 Cb 0.24 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1h10 h THR 105 CO -0.02 0.19 0.23 0.58 0.37 0.00 0.00 175.52 176.87 1h10 h VAL 106 N 0.69 1.21 -0.80 3.16 2.07 -0.94 -1.61 116.25 120.03 1h10 h VAL 106 Ca 0.18 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1h10 h VAL 106 Cb 0.04 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1h10 h VAL 106 CO -0.03 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.28 1h10 h ALA 107 N 1.08 1.02 -0.69 1.67 0.00 -0.83 -1.43 119.26 120.07 1h10 h ALA 107 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h10 h ALA 107 Cb 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1h10 h ALA 107 CO -0.02 0.49 0.27 -0.44 0.00 0.00 0.00 179.25 179.55 1h10 h ASP 108 N 1.10 0.94 -0.45 0.00 3.32 -0.51 -1.75 116.42 119.07 1h10 h ASP 108 Ca 0.29 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1h10 h ASP 108 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1h10 h ASP 108 CO -0.05 0.84 0.20 1.23 -1.72 0.00 0.00 179.24 179.74 1h10 h GLY 109 N 1.07 0.70 1.35 2.75 0.00 -0.66 0.43 103.07 108.71 1h10 h GLY 109 Ca 0.23 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1h10 h GLY 109 CO -0.02 0.34 0.19 1.41 0.00 0.00 0.00 176.54 178.46 1h10 h LEU 110 N 0.58 0.76 -0.53 3.11 3.38 -0.97 -0.72 115.31 120.92 1h10 h LEU 110 Ca 0.15 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1h10 h LEU 110 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1h10 h LEU 110 CO -0.02 0.71 -0.10 0.50 0.09 0.00 0.00 178.44 179.62 1h10 h LYS 111 N 0.81 1.01 -0.68 1.13 1.63 -0.80 -1.47 116.57 118.20 1h10 h LYS 111 Ca 0.19 -0.38 -0.07 0.00 -0.85 0.00 0.00 60.65 59.54 1h10 h LYS 111 Cb 0.22 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1h10 h LYS 111 CO -0.01 1.06 0.16 -0.22 -3.45 0.00 0.00 179.45 176.99 1h10 h LYS 112 N 0.89 1.08 -0.83 1.90 1.63 -0.51 -1.22 116.57 119.51 1h10 h LYS 112 Ca 0.14 -0.26 0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1h10 h LYS 112 Cb 0.67 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 1h10 h LYS 112 CO 0.05 0.96 0.51 1.96 -3.45 0.00 0.00 179.45 179.48 1h10 h GLN 113 N 1.03 0.92 0.47 1.90 4.20 -0.76 0.20 115.11 123.07 1h10 h GLN 113 Ca 0.22 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1h10 h GLN 113 Cb 0.37 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1h10 h GLN 113 CO 0.00 0.61 -0.23 1.49 -0.67 0.00 0.00 178.83 180.03 1h10 h GLU 114 N 0.94 -0.61 -0.97 1.46 4.81 -0.92 -2.74 114.58 116.56 1h10 h GLU 114 Ca 0.36 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.75 1h10 h GLU 114 Cb 0.16 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 1h10 h GLU 114 CO -0.17 -0.40 0.61 0.93 -0.73 0.00 0.00 179.01 179.25 1h10 h GLU 115 N -0.63 0.91 0.00 1.92 5.08 -0.76 -3.52 114.58 117.58 1h10 h GLU 115 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1h10 h GLU 115 Cb 0.48 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1h10 h GLU 115 CO 0.11 0.60 0.00 0.39 -1.00 0.00 0.00 179.01 179.11