#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9x h ARG 3 N 0.00 0.05 0.79 -3.83 2.43 -1.95 -1.63 114.38 110.25 3h9x h ARG 3 Ca 0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3h9x h ARG 3 Cb 0.00 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3h9x h ARG 3 CO 0.00 0.04 -0.38 0.37 -1.51 0.00 0.00 179.97 178.48 3h9x h GLN 4 N 0.06 -1.03 -0.48 0.20 -0.00 -2.05 -2.55 115.11 109.26 3h9x h GLN 4 Ca 0.42 0.07 0.14 0.00 -0.00 0.00 0.00 58.65 59.28 3h9x h GLN 4 Cb 0.73 0.23 -0.02 0.00 0.00 0.00 0.00 27.48 28.42 3h9x h GLN 4 CO -0.74 -0.67 0.34 1.96 0.00 0.00 0.00 178.83 179.72 3h9x h GLN 5 N -1.15 0.02 0.42 1.69 4.20 -1.90 -2.36 115.11 116.02 3h9x h GLN 5 Ca -0.11 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3h9x h GLN 5 Cb 0.83 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3h9x h GLN 5 CO 0.18 0.01 -0.20 0.35 -0.67 0.00 0.00 178.83 178.50 3h9x h PHE 6 N 0.02 -0.52 -0.21 2.96 3.04 -1.21 -1.58 116.94 119.43 3h9x h PHE 6 Ca 0.23 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.23 3h9x h PHE 6 Cb 0.89 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 3h9x h PHE 6 CO -0.00 -0.25 0.19 -0.84 -2.02 0.00 0.00 178.31 175.39 3h9x h ILE 7 N -1.08 0.65 -0.04 1.41 -0.00 -1.14 -1.05 117.51 116.26 3h9x h ILE 7 Ca -0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 64.86 64.74 3h9x h ILE 7 Cb 0.51 0.86 0.00 0.00 -0.00 0.00 0.00 36.82 38.19 3h9x h ILE 7 CO 0.09 0.00 -0.22 0.44 -0.00 0.00 0.00 178.15 178.46 3h9x h ASP 8 N 0.00 0.26 -1.00 2.16 3.45 -1.45 -2.65 116.42 117.20 3h9x h ASP 8 Ca 0.10 -0.67 0.09 0.00 0.43 0.00 0.00 57.03 56.98 3h9x h ASP 8 Cb 0.47 -0.08 -0.07 0.00 -0.56 0.00 0.00 39.33 39.09 3h9x h ASP 8 CO -0.00 0.89 0.64 0.22 -1.57 0.00 0.00 179.24 179.42 3h9x h TYR 9 N -0.35 1.18 -0.62 4.55 5.03 -0.16 -1.75 116.97 124.84 3h9x h TYR 9 Ca -0.02 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 3h9x h TYR 9 Cb 0.89 -0.38 -0.03 0.00 1.55 0.00 0.00 36.73 38.77 3h9x h TYR 9 CO 0.15 0.55 0.18 0.00 -1.32 0.00 0.00 178.16 177.72 3h9x h ALA 10 N 1.49 0.82 -0.66 1.82 0.00 -1.40 0.78 119.26 122.11 3h9x h ALA 10 Ca 0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3h9x h ALA 10 Cb 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3h9x h ALA 10 CO -0.21 0.51 0.25 0.37 0.00 0.00 0.00 179.25 180.17 3h9x h GLN 11 N 0.90 0.97 0.00 0.00 5.75 -0.97 -1.12 115.11 120.64 3h9x h GLN 11 Ca 0.20 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3h9x h GLN 11 Cb 0.32 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3h9x h GLN 11 CO -0.00 0.80 -0.42 0.87 -2.65 0.00 0.00 178.83 177.43 3h9x h LYS 12 N 0.95 0.00 0.00 1.69 1.79 -1.15 -0.42 116.57 119.44 3h9x h LYS 12 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3h9x h LYS 12 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3h9x h LYS 12 CO -0.02 0.66 0.00 1.63 -1.08 0.00 0.00 179.45 180.64 3h9x n LYS 13 N -4.60 0.13 0.00 3.15 4.76 0.25 -3.82 118.16 118.03 3h9x n LYS 13 Ca -0.14 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3h9x n LYS 13 Cb 0.41 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3h9x n LYS 13 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3h9x n TYR 14 N -1.98 0.00 -3.75 2.13 4.01 -0.47 -5.03 117.16 112.07 3h9x n TYR 14 Ca 0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.51 3h9x n TYR 14 Cb 0.24 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.32 3h9x n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h9x n ASP 15 N -0.05 -4.63 -4.59 7.72 -0.08 -0.16 -4.97 116.55 109.79 3h9x n ASP 15 Ca 0.00 -0.69 -0.34 0.00 -1.51 0.00 0.00 54.79 52.24 3h9x n ASP 15 Cb 0.03 -4.38 -0.11 0.00 2.34 0.00 0.00 41.12 39.01 3h9x n ASP 15 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3h9x s THR 16 N -3.36 4.11 -0.17 5.18 2.01 -1.20 -4.98 115.64 117.23 3h9x s THR 16 Ca 0.50 -0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 3h9x s THR 16 Cb -0.24 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3h9x s THR 16 CO 0.79 0.55 0.29 -0.75 -0.69 0.00 0.00 174.62 174.80 3h9x s LYS 17 N -0.28 4.25 0.30 4.92 2.36 -1.26 -3.92 119.74 126.11 3h9x s LYS 17 Ca 0.05 0.08 -0.29 0.00 -2.55 0.00 0.00 55.97 53.26 3h9x s LYS 17 Cb -0.12 -3.43 -0.11 0.00 -1.05 0.00 0.00 37.83 33.11 3h9x s LYS 17 CO 0.02 0.22 1.53 -1.25 1.55 0.00 0.00 175.35 177.42 3h9x s PRO 18 N 0.52 4.16 0.13 4.03 0.04 -1.26 -4.84 135.00 137.79 3h9x s PRO 18 Ca 0.16 2.50 0.06 0.00 0.04 0.00 0.00 61.00 63.76 3h9x s PRO 18 Cb -0.13 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3h9x s PRO 18 CO 0.04 -0.54 0.03 -0.51 0.04 0.00 0.00 177.00 176.06 3h9x s ASP 19 N 0.28 5.07 -0.48 6.66 1.01 -0.73 -4.95 116.67 123.54 3h9x s ASP 19 Ca 0.59 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.66 3h9x s ASP 19 Cb -0.46 -1.20 0.15 0.00 1.01 0.00 0.00 42.92 42.42 3h9x s ASP 19 CO 0.50 0.12 0.32 -1.00 0.21 0.00 0.00 175.17 175.33 3h9x s HIS 20 N -1.55 1.96 0.24 4.23 3.76 -1.26 -0.99 115.29 121.68 3h9x s HIS 20 Ca 0.28 -2.52 -0.05 0.00 -0.15 0.00 0.00 55.06 52.61 3h9x s HIS 20 Cb -0.11 -1.70 0.25 0.00 1.11 0.00 0.00 32.58 32.14 3h9x s HIS 20 CO 0.20 -0.75 1.78 -1.35 -0.85 0.00 0.00 174.74 173.77 3h9x h PRO 21 N 6.15 1.01 -5.67 8.40 0.11 -1.92 -3.43 132.00 136.66 3h9x h PRO 21 Ca 0.11 -0.22 -0.60 0.00 0.11 0.00 0.00 66.00 65.40 3h9x h PRO 21 Cb 0.89 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 31.75 3h9x h PRO 21 CO 0.48 0.88 0.34 -1.58 -0.21 0.00 0.00 178.00 177.91 3h9x s TRP 22 N -5.31 3.29 0.12 0.65 0.51 -1.26 -4.94 118.94 112.00 3h9x s TRP 22 Ca -0.11 0.99 -0.11 0.00 -2.12 0.00 0.00 56.10 54.74 3h9x s TRP 22 Cb 0.15 -2.96 -0.09 0.00 -0.81 0.00 0.00 33.47 29.76 3h9x s TRP 22 CO 0.83 -0.37 1.38 1.05 -0.51 0.00 0.00 176.95 179.33 3h9x h GLU 23 N 7.79 0.83 0.00 4.98 9.09 -1.99 -3.11 114.58 132.17 3h9x h GLU 23 Ca -0.25 -0.57 -0.04 0.00 0.05 0.00 0.00 59.36 58.55 3h9x h GLU 23 Cb 1.11 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 3h9x h GLU 23 CO 0.83 1.20 -0.19 0.87 0.05 0.00 0.00 179.01 181.77 3h9x h LYS 24 N 0.62 0.00 -3.29 1.06 1.57 -1.99 -3.36 116.57 111.18 3h9x h LYS 24 Ca -0.01 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 3h9x h LYS 24 Cb 1.23 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.13 3h9x h LYS 24 CO 0.13 0.19 -0.64 -0.06 -0.57 0.00 0.00 179.45 178.50 3h9x s PHE 25 N -4.53 3.02 0.57 -1.35 0.40 -1.17 -4.96 117.98 109.96 3h9x s PHE 25 Ca -0.04 -3.08 0.26 0.00 -0.60 0.00 0.00 56.93 53.47 3h9x s PHE 25 Cb 0.15 -2.66 1.60 0.00 0.51 0.00 0.00 43.02 42.62 3h9x s PHE 25 CO 0.68 -0.73 2.16 -1.35 0.70 0.00 0.00 175.22 176.68 3h9x h PRO 26 N 6.43 0.00 0.05 0.24 0.11 -1.72 -2.93 132.00 134.18 3h9x h PRO 26 Ca -0.05 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 3h9x h PRO 26 Cb 0.88 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.01 3h9x h PRO 26 CO 0.66 0.00 -0.83 -0.44 -0.21 0.00 0.00 178.00 177.18 3h9x h ASP 27 N 0.00 0.65 -2.11 -2.05 3.45 -1.92 -3.45 116.42 110.99 3h9x h ASP 27 Ca 0.05 -0.80 -0.61 0.00 0.43 0.00 0.00 57.03 56.10 3h9x h ASP 27 Cb 0.26 -0.20 0.04 0.00 -0.56 0.00 0.00 39.33 38.87 3h9x h ASP 27 CO -0.00 1.38 0.87 -1.22 -1.57 0.00 0.00 179.24 178.70 3h9x n TYR 28 N -4.06 2.22 -4.07 4.55 0.53 -1.11 -4.78 117.16 110.43 3h9x n TYR 28 Ca -0.12 0.22 -0.17 0.00 -1.02 0.00 0.00 57.90 56.81 3h9x n TYR 28 Cb 0.79 -2.56 -0.15 0.00 -1.03 0.00 0.00 39.34 36.39 3h9x n TYR 28 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h9x s ALA 29 N 2.02 0.42 0.16 -0.72 0.00 0.54 -4.60 121.76 119.58 3h9x s ALA 29 Ca 0.85 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.83 3h9x s ALA 29 Cb -0.72 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3h9x s ALA 29 CO 0.44 0.02 0.04 0.14 0.00 0.00 0.00 175.76 176.41 3h9x s VAL 30 N 0.49 4.02 -0.16 0.00 -7.23 -0.16 0.16 120.40 117.53 3h9x s VAL 30 Ca -0.05 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 3h9x s VAL 30 Cb -0.09 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.86 3h9x s VAL 30 CO -0.01 -0.08 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.23 3h9x s PHE 31 N -1.68 2.13 0.34 2.82 0.40 0.50 -1.77 117.98 120.73 3h9x s PHE 31 Ca 0.28 -1.25 0.03 0.00 -0.60 0.00 0.00 56.93 55.40 3h9x s PHE 31 Cb -0.10 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 3h9x s PHE 31 CO 0.20 -0.67 0.13 -0.98 0.70 0.00 0.00 175.22 174.60 3h9x s ARG 32 N 1.50 1.72 0.35 0.44 3.03 -1.26 -0.21 118.95 124.52 3h9x s ARG 32 Ca 0.03 -2.01 -0.12 0.00 2.03 0.00 0.00 55.73 55.66 3h9x s ARG 32 Cb -0.14 -0.41 -0.08 0.00 -1.03 0.00 0.00 34.95 33.30 3h9x s ARG 32 CO -0.10 -0.42 0.73 -1.01 -1.13 0.00 0.00 175.30 173.38 3h9x s HIS 33 N -3.41 3.42 -0.24 5.89 3.76 -1.03 -4.92 115.29 118.76 3h9x s HIS 33 Ca 0.32 1.11 0.25 0.00 -0.15 0.00 0.00 55.06 56.58 3h9x s HIS 33 Cb 0.05 -2.47 0.60 0.00 1.11 0.00 0.00 32.58 31.87 3h9x s HIS 33 CO 0.16 0.02 1.70 1.03 -0.85 0.00 0.00 174.74 176.80 3h9x h SER 34 N 1.82 0.00 0.00 1.40 0.87 -1.97 -2.19 113.55 113.48 3h9x h SER 34 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3h9x h SER 34 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3h9x h SER 34 CO 0.65 0.07 0.00 0.47 -0.53 0.00 0.00 176.83 177.49 3h9x n ASP 35 N -3.13 0.00 -0.38 6.23 8.00 -1.26 -4.45 116.55 121.56 3h9x n ASP 35 Ca 0.03 0.07 0.13 0.00 0.71 0.00 0.00 54.79 55.73 3h9x n ASP 35 Cb 0.49 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 42.13 3h9x n ASP 35 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3h9x n ASN 36 N -0.11 1.17 -2.19 -2.24 0.23 -1.26 -4.93 115.26 105.93 3h9x n ASN 36 Ca 0.00 -1.48 -0.21 0.00 -0.53 0.00 0.00 54.58 52.36 3h9x n ASN 36 Cb 0.00 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 3h9x n ASN 36 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3h9x n ASP 37 N -0.05 -5.75 -4.71 0.53 10.43 -0.82 -4.94 116.55 111.22 3h9x n ASP 37 Ca 0.18 0.13 -0.40 0.00 2.57 0.00 0.00 54.79 57.27 3h9x n ASP 37 Cb 0.28 -4.86 -0.04 0.00 1.84 0.00 0.00 41.12 38.33 3h9x n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3h9x s LYS 38 N -4.70 4.45 0.24 -1.24 1.02 -1.26 -4.73 119.74 113.52 3h9x s LYS 38 Ca 0.00 0.96 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 3h9x s LYS 38 Cb 0.00 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.77 3h9x s LYS 38 CO 0.00 0.04 1.27 -1.58 -0.92 0.00 0.00 175.35 174.16 3h9x s TRP 39 N 0.86 3.27 0.00 3.18 0.52 -1.26 -2.46 118.94 123.05 3h9x s TRP 39 Ca 0.40 1.34 0.00 0.00 0.02 0.00 0.00 56.10 57.86 3h9x s TRP 39 Cb -0.18 -3.57 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 3h9x s TRP 39 CO 0.19 -1.65 0.30 2.48 0.02 0.00 0.00 176.95 178.30 3h9x n TYR 40 N 2.04 0.00 -3.64 -1.98 0.18 0.70 -4.95 117.16 109.51 3h9x n TYR 40 Ca 0.04 -0.02 -0.06 0.00 1.88 0.00 0.00 57.90 59.73 3h9x n TYR 40 Cb 0.43 -0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.32 3h9x n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3h9x s ALA 41 N -0.04 -1.96 -0.25 -3.48 0.00 -1.15 -4.31 121.76 110.56 3h9x s ALA 41 Ca 0.00 2.37 0.01 0.00 0.00 0.00 0.00 51.96 54.35 3h9x s ALA 41 Cb 0.00 -1.48 0.07 0.00 0.00 0.00 0.00 23.12 21.71 3h9x s ALA 41 CO 0.00 -0.37 -0.04 -1.17 0.00 0.00 0.00 175.76 174.18 3h9x s LEU 42 N 1.55 2.87 0.34 0.00 0.20 -0.30 -0.37 118.68 122.97 3h9x s LEU 42 Ca -0.10 -1.34 -0.01 0.00 0.69 0.00 0.00 54.13 53.38 3h9x s LEU 42 Cb -0.05 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.43 3h9x s LEU 42 CO -0.18 -0.26 0.57 -0.22 -0.29 0.00 0.00 176.35 175.96 3h9x s LEU 43 N 1.33 3.99 -0.22 -0.68 2.96 0.12 0.01 118.68 126.19 3h9x s LEU 43 Ca -0.03 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 3h9x s LEU 43 Cb -0.19 -3.41 0.10 0.00 0.50 0.00 0.00 46.19 43.20 3h9x s LEU 43 CO -0.08 -0.29 0.25 -0.62 -1.32 0.00 0.00 176.35 174.29 3h9x s ASP 45 N -3.81 1.25 0.24 3.68 2.15 -1.26 -0.34 116.67 118.57 3h9x s ASP 45 Ca 0.41 -0.21 0.05 0.00 0.43 0.00 0.00 52.55 53.23 3h9x s ASP 45 Cb -0.10 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 3h9x s ASP 45 CO 0.35 -0.33 -0.03 0.27 -0.17 0.00 0.00 175.17 175.27 3h9x s ILE 46 N 2.36 1.22 0.07 4.11 -4.36 0.39 -4.92 121.20 120.06 3h9x s ILE 46 Ca 0.08 -2.06 -0.31 0.00 -0.26 0.00 0.00 60.65 58.10 3h9x s ILE 46 Cb -0.16 -2.32 -0.07 0.00 1.25 0.00 0.00 42.46 41.16 3h9x s ILE 46 CO -0.14 -0.36 1.46 -2.84 0.24 0.00 0.00 174.94 173.30 3h9x s PRO 47 N -3.81 4.27 0.33 0.37 0.02 -1.26 0.42 135.00 135.34 3h9x s PRO 47 Ca 0.27 2.11 0.11 0.00 0.02 0.00 0.00 61.00 63.52 3h9x s PRO 47 Cb 0.05 -3.44 1.03 0.00 0.02 0.00 0.00 34.50 32.16 3h9x s PRO 47 CO 0.09 -0.56 1.62 0.00 -0.33 0.00 0.00 177.00 177.81 3h9x h ALA 48 N 7.50 1.73 -0.63 -1.55 0.00 -0.82 -1.19 119.26 124.31 3h9x h ALA 48 Ca -0.41 0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3h9x h ALA 48 Cb 1.20 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 3h9x h ALA 48 CO 0.90 -0.66 0.18 1.05 0.00 0.00 0.00 179.25 180.71 3h9x h GLU 49 N 0.15 0.31 -0.04 0.00 4.11 -1.64 -2.44 114.58 115.03 3h9x h GLU 49 Ca 0.71 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 60.13 3h9x h GLU 49 Cb 1.65 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 3h9x h GLU 49 CO -0.72 0.21 0.64 0.87 0.07 0.00 0.00 179.01 180.07 3h9x h LYS 50 N 0.32 0.00 0.00 1.06 1.79 -1.49 0.11 116.57 118.36 3h9x h LYS 50 Ca 0.33 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.76 3h9x h LYS 50 Cb 0.49 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.05 3h9x h LYS 50 CO -0.39 0.00 -0.61 0.44 -1.08 0.00 0.00 179.45 177.82 3h9x n ILE 51 N -2.76 1.67 0.00 1.86 -5.35 -0.92 -5.00 119.36 108.85 3h9x n ILE 51 Ca -0.00 -2.67 0.00 0.00 -0.27 0.00 0.00 62.75 59.81 3h9x n ILE 51 Cb 0.68 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 3h9x n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h9x n GLY 52 N -0.75 2.68 3.73 3.28 0.00 0.03 -4.95 105.19 109.22 3h9x n GLY 52 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3h9x n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h9x s ILE 53 N -0.95 3.47 0.00 -0.61 1.10 -1.18 -4.91 121.20 118.12 3h9x s ILE 53 Ca 0.00 1.19 0.00 0.00 -0.51 0.00 0.00 60.65 61.33 3h9x s ILE 53 Cb 0.00 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.85 3h9x s ILE 53 CO 0.00 0.17 0.00 -0.46 -2.11 0.00 0.00 174.94 172.54 3h9x n ASN 54 N 2.84 0.00 -0.86 4.50 0.23 -1.26 -2.06 115.26 118.65 3h9x n ASN 54 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 3h9x n ASN 54 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3h9x n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h9x n GLY 55 N 4.59 -4.11 2.73 4.83 0.00 -1.26 -4.59 105.19 107.39 3h9x n GLY 55 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3h9x n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h9x n ASP 56 N -0.07 4.35 -4.22 1.61 4.64 -1.26 -4.57 116.55 117.03 3h9x n ASP 56 Ca 0.00 -2.75 -0.13 0.00 -1.38 0.00 0.00 54.79 50.53 3h9x n ASP 56 Cb 0.00 -1.52 -0.10 0.00 -1.04 0.00 0.00 41.12 38.46 3h9x n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 3h9x s LYS 57 N 3.40 0.98 0.42 -0.67 -2.85 -1.26 -5.06 119.74 114.71 3h9x s LYS 57 Ca 0.52 -1.42 0.03 0.00 -1.00 0.00 0.00 55.97 54.10 3h9x s LYS 57 Cb 0.14 -0.39 0.00 0.00 -2.06 0.00 0.00 37.83 35.53 3h9x s LYS 57 CO -0.04 -0.00 0.61 1.03 0.10 0.00 0.00 175.35 177.05 3h9x s ARG 58 N -3.81 2.99 0.02 1.78 1.81 -1.26 -0.17 118.95 120.31 3h9x s ARG 58 Ca 0.16 -0.76 -0.07 0.00 -1.72 0.00 0.00 55.73 53.34 3h9x s ARG 58 Cb 0.04 -2.65 -0.00 0.00 -0.45 0.00 0.00 34.95 31.89 3h9x s ARG 58 CO -0.01 -0.22 0.13 0.14 -0.68 0.00 0.00 175.30 174.66 3h9x s VAL 59 N -2.44 0.11 -0.21 3.52 -7.23 0.17 -4.65 120.40 109.66 3h9x s VAL 59 Ca 0.49 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.72 3h9x s VAL 59 Cb -0.10 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 3h9x s VAL 59 CO 0.35 -0.48 0.02 -1.81 -0.31 0.00 0.00 175.10 172.87 3h9x s ASP 60 N -1.80 4.93 0.15 4.85 1.11 -1.26 -0.46 116.67 124.19 3h9x s ASP 60 Ca -0.09 -0.19 0.06 0.00 0.18 0.00 0.00 52.55 52.50 3h9x s ASP 60 Cb -0.04 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 3h9x s ASP 60 CO -0.02 0.05 -0.12 0.68 1.18 0.00 0.00 175.17 176.94 3h9x s VAL 61 N 1.09 1.33 -0.01 -1.27 -7.23 -1.26 -0.51 120.40 112.54 3h9x s VAL 61 Ca 0.03 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 3h9x s VAL 61 Cb -0.14 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 3h9x s VAL 61 CO 0.02 -0.60 -0.17 0.27 -0.31 0.00 0.00 175.10 174.31 3h9x s ILE 62 N -2.82 1.35 -0.17 -0.62 -4.36 -0.34 -4.35 121.20 109.90 3h9x s ILE 62 Ca 0.15 -0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 59.74 3h9x s ILE 62 Cb -0.01 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 3h9x s ILE 62 CO 0.03 0.38 0.07 -1.81 0.24 0.00 0.00 174.94 173.84 3h9x s ASP 63 N -0.40 5.68 0.08 4.36 1.11 0.10 -0.24 116.67 127.36 3h9x s ASP 63 Ca 0.07 0.13 0.06 0.00 0.18 0.00 0.00 52.55 52.99 3h9x s ASP 63 Cb -0.07 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 41.96 3h9x s ASP 63 CO -0.01 0.22 -0.17 -0.76 1.18 0.00 0.00 175.17 175.63 3h9x s LEU 64 N 0.11 2.27 -0.02 1.23 1.02 -0.41 -1.15 118.68 121.73 3h9x s LEU 64 Ca 0.05 -0.63 -0.16 0.00 0.02 0.00 0.00 54.13 53.42 3h9x s LEU 64 Cb -0.12 -0.67 -0.05 0.00 0.02 0.00 0.00 46.19 45.36 3h9x s LEU 64 CO 0.01 -0.01 0.43 -0.75 0.02 0.00 0.00 176.35 176.05 3h9x s LYS 65 N -1.73 4.04 0.29 1.70 2.20 -1.26 -1.25 119.74 123.72 3h9x s LYS 65 Ca 0.02 0.44 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 3h9x s LYS 65 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3h9x s LYS 65 CO 0.03 0.57 0.16 0.14 -0.36 0.00 0.00 175.35 175.89 3h9x s VAL 66 N -0.70 0.26 0.02 4.02 -7.23 -0.26 -3.45 120.40 113.07 3h9x s VAL 66 Ca 0.24 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3h9x s VAL 66 Cb -0.17 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3h9x s VAL 66 CO 0.13 0.00 1.06 -1.10 -0.31 0.00 0.00 175.10 174.88 3h9x s GLN 67 N -3.86 4.51 0.57 4.82 -0.21 -1.26 -4.73 119.66 119.50 3h9x s GLN 67 Ca 0.37 1.55 0.41 0.00 0.02 0.00 0.00 55.36 57.70 3h9x s GLN 67 Cb 0.05 -3.42 1.52 0.00 1.00 0.00 0.00 33.01 32.17 3h9x s GLN 67 CO 0.17 -0.13 1.63 -1.00 -2.12 0.00 0.00 175.29 173.84 3h9x h PRO 68 N 6.81 0.00 -0.00 2.91 0.13 -1.90 0.48 132.00 140.43 3h9x h PRO 68 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3h9x h PRO 68 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h9x h PRO 68 CO 0.77 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.66 3h9x n GLU 69 N -3.88 0.76 -0.00 0.86 0.00 -1.26 -3.46 120.64 113.66 3h9x n GLU 69 Ca 0.32 -0.12 0.06 0.00 0.00 0.00 0.00 57.16 57.43 3h9x n GLU 69 Cb 1.59 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 31.44 3h9x n GLU 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3h9x n LEU 70 N -1.01 0.36 -0.37 -1.84 4.77 0.17 -4.58 117.00 114.50 3h9x n LEU 70 Ca 0.18 -0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3h9x n LEU 70 Cb 0.21 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.44 3h9x n LEU 70 CO 0.21 0.09 1.27 0.58 -1.33 0.00 0.00 177.39 178.22 3h9x h VAL 71 N 0.00 1.18 -0.25 4.08 2.07 -1.57 0.06 116.25 121.81 3h9x h VAL 71 Ca 0.00 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3h9x h VAL 71 Cb 0.44 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3h9x h VAL 71 CO 0.00 0.23 0.09 1.23 0.02 0.00 0.00 177.57 179.14 3h9x h GLY 72 N 1.25 0.42 0.92 2.17 0.00 -1.81 -2.18 103.07 103.84 3h9x h GLY 72 Ca 0.39 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 3h9x h GLY 72 CO -0.12 0.22 -0.37 1.48 0.00 0.00 0.00 176.54 177.76 3h9x h SER 73 N 0.25 0.67 0.23 0.19 4.64 -1.77 -3.26 113.55 114.49 3h9x h SER 73 Ca 0.08 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3h9x h SER 73 Cb 0.21 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h9x h SER 73 CO -0.00 1.08 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.86 3h9x h LEU 74 N 0.27 -0.27 -1.33 5.97 4.07 -1.04 -2.41 115.31 120.59 3h9x h LEU 74 Ca 0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3h9x h LEU 74 Cb 0.97 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3h9x h LEU 74 CO 0.08 -0.19 0.35 0.03 -1.08 0.00 0.00 178.44 177.63 3h9x h ARG 75 N -0.31 0.00 0.00 1.13 3.08 -1.47 0.43 114.38 117.24 3h9x h ARG 75 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h9x h ARG 75 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3h9x h ARG 75 CO 0.05 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 179.79 3h9x h LYS 76 N 0.00 0.00 -7.27 0.04 1.57 -1.47 -3.44 116.57 106.00 3h9x h LYS 76 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3h9x h LYS 76 Cb 0.69 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.09 3h9x h LYS 76 CO 0.00 0.00 0.37 0.15 -0.57 0.00 0.00 179.45 179.40 3h9x s LYS 77 N -3.21 2.97 0.04 3.15 1.02 0.15 -4.99 119.74 118.87 3h9x s LYS 77 Ca 0.07 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 3h9x s LYS 77 Cb 0.05 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3h9x s LYS 77 CO 0.67 -1.08 0.96 -1.25 -0.92 0.00 0.00 175.35 173.74 3h9x s PRO 78 N -4.57 4.61 0.00 -1.68 0.04 -1.26 -3.36 135.00 128.77 3h9x s PRO 78 Ca 0.61 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3h9x s PRO 78 Cb -0.16 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3h9x s PRO 78 CO 0.47 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.97 3h9x n GLY 79 N 2.66 0.56 3.40 0.56 0.00 -1.26 -4.21 105.19 106.90 3h9x n GLY 79 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3h9x n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h9x s ILE 80 N -2.13 3.46 0.41 -0.61 1.01 -1.21 -0.85 121.20 121.27 3h9x s ILE 80 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3h9x s ILE 80 Cb 0.00 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3h9x s ILE 80 CO 0.00 0.49 0.05 -0.31 0.00 0.00 0.00 174.94 175.17 3h9x s TYR 81 N 0.65 2.01 0.48 3.97 1.51 -0.12 -4.69 117.35 121.16 3h9x s TYR 81 Ca -0.04 -0.98 -0.23 0.00 -1.01 0.00 0.00 57.07 54.81 3h9x s TYR 81 Cb -0.15 -1.43 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 3h9x s TYR 81 CO 0.02 0.08 1.27 -2.14 -1.11 0.00 0.00 175.55 173.67 3h9x s PRO 82 N -3.80 3.56 0.11 -1.71 0.02 -1.26 -2.04 135.00 129.87 3h9x s PRO 82 Ca 0.25 2.05 -0.35 0.00 0.02 0.00 0.00 61.00 62.97 3h9x s PRO 82 Cb 0.06 -2.42 -0.15 0.00 0.02 0.00 0.00 34.50 32.00 3h9x s PRO 82 CO 0.13 -0.80 1.48 0.00 -0.33 0.00 0.00 177.00 177.48 3h9x n ALA 83 N -0.57 0.27 -2.95 -1.55 0.00 -1.25 -4.31 120.51 110.15 3h9x n ALA 83 Ca 0.08 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 3h9x n ALA 83 Cb 0.46 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 3h9x n ALA 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3h9x s TYR 84 N 0.83 3.13 -0.89 0.00 5.04 -1.26 -4.71 117.35 119.49 3h9x s TYR 84 Ca 0.82 -0.23 -0.06 0.00 -2.44 0.00 0.00 57.07 55.16 3h9x s TYR 84 Cb -0.81 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 39.36 3h9x s TYR 84 CO 0.43 -0.13 0.78 0.72 -1.34 0.00 0.00 175.55 176.00 3h9x n HIS 85 N 4.24 -1.90 -3.11 4.97 8.25 -1.26 -5.02 115.22 121.39 3h9x n HIS 85 Ca -0.16 0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 57.56 3h9x n HIS 85 Cb 0.52 -3.66 -0.06 0.00 1.12 0.00 0.00 29.99 27.91 3h9x n HIS 85 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3h9x s ASN 87 N -3.21 6.62 0.52 0.41 3.84 -1.26 -5.22 114.94 116.64 3h9x s ASN 87 Ca 0.39 0.76 0.29 0.00 0.21 0.00 0.00 52.86 54.50 3h9x s ASN 87 Cb -0.17 -2.34 1.40 0.00 -0.55 0.00 0.00 41.25 39.59 3h9x s ASN 87 CO 0.48 -0.33 2.03 0.11 -2.79 0.00 0.00 177.10 176.59 3h9x h LYS 88 N 7.73 0.00 0.00 0.43 1.57 -1.84 0.16 116.57 124.62 3h9x h LYS 88 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3h9x h LYS 88 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3h9x h LYS 88 CO 0.77 0.12 -0.20 0.39 -0.57 0.00 0.00 179.45 179.96 3h9x n GLU 89 N -3.43 0.08 0.00 3.15 1.02 -1.26 -4.11 120.64 116.09 3h9x n GLU 89 Ca -0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3h9x n GLU 89 Cb 0.28 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3h9x n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3h9x n HIS 90 N -1.71 0.00 -4.36 -0.32 8.25 -1.05 -4.04 115.22 111.99 3h9x n HIS 90 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 3h9x n HIS 90 Cb 0.37 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.39 3h9x n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3h9x s TRP 91 N -1.41 2.54 0.03 4.41 0.52 0.52 -1.10 118.94 124.45 3h9x s TRP 91 Ca 0.00 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 55.88 3h9x s TRP 91 Cb 0.00 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 3h9x s TRP 91 CO 0.00 0.65 -0.09 0.42 0.02 0.00 0.00 176.95 177.95 3h9x s ILE 92 N -2.36 0.67 -0.24 2.03 -1.09 -0.38 -3.74 121.20 116.09 3h9x s ILE 92 Ca 0.30 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 3h9x s ILE 92 Cb -0.06 -0.66 0.02 0.00 -1.58 0.00 0.00 42.46 40.18 3h9x s ILE 92 CO 0.18 -0.16 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.77 3h9x s THR 93 N -0.93 2.87 -0.19 2.92 2.01 -0.87 -1.29 115.64 120.17 3h9x s THR 93 Ca -0.04 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 3h9x s THR 93 Cb -0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3h9x s THR 93 CO 0.01 0.23 0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 3h9x s VAL 94 N 1.33 5.03 -0.25 3.82 1.01 0.67 -0.95 120.40 131.07 3h9x s VAL 94 Ca 0.01 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3h9x s VAL 94 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3h9x s VAL 94 CO -0.05 0.45 0.97 -0.22 0.00 0.00 0.00 175.10 176.26 3h9x s LEU 95 N 0.37 4.07 0.45 3.92 1.98 -0.03 -1.20 118.68 128.24 3h9x s LEU 95 Ca 0.05 1.21 -0.19 0.00 -2.89 0.00 0.00 54.13 52.31 3h9x s LEU 95 Cb -0.12 -3.42 -0.10 0.00 0.66 0.00 0.00 46.19 43.22 3h9x s LEU 95 CO -0.01 -0.65 0.94 -0.76 -1.89 0.00 0.00 176.35 173.98 3h9x s LEU 96 N 3.14 3.85 -1.25 -0.68 1.43 0.33 -3.25 118.68 122.26 3h9x s LEU 96 Ca 0.41 1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.08 3h9x s LEU 96 Cb -0.15 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.60 3h9x s LEU 96 CO 0.08 -0.42 0.33 0.59 0.23 0.00 0.00 176.35 177.16 3h9x n ASN 97 N -0.93 -5.00 -3.27 2.29 4.13 -1.26 -4.54 115.26 106.69 3h9x n ASN 97 Ca 0.06 -0.16 -0.15 0.00 1.68 0.00 0.00 54.58 56.01 3h9x n ASN 97 Cb 0.54 -3.93 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 3h9x n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h9x n GLY 98 N -1.25 3.90 0.08 7.41 0.00 -1.20 -5.05 105.19 109.08 3h9x n GLY 98 Ca -0.12 -2.29 0.09 0.00 0.00 0.00 0.00 46.02 43.70 3h9x n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h9x n PRO 99 N -0.60 0.10 -2.58 1.61 -0.04 -1.26 -4.77 135.00 127.46 3h9x n PRO 99 Ca -0.10 0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 3h9x n PRO 99 Cb 0.31 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 3h9x n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h9x s LEU 100 N -3.88 4.44 0.32 1.53 1.98 -1.26 -4.98 118.68 116.82 3h9x s LEU 100 Ca 0.03 1.92 -0.28 0.00 -2.89 0.00 0.00 54.13 52.91 3h9x s LEU 100 Cb 0.07 -3.59 -0.09 0.00 0.66 0.00 0.00 46.19 43.24 3h9x s LEU 100 CO 0.26 -0.25 1.12 -0.83 -1.89 0.00 0.00 176.35 174.76 3h9x s GLY 101 N 0.39 2.98 0.32 7.98 0.00 -1.26 -4.88 107.32 112.84 3h9x s GLY 101 Ca 0.51 0.91 0.06 0.00 0.00 0.00 0.00 44.72 46.20 3h9x s GLY 101 CO 0.31 1.47 1.81 0.00 0.00 0.00 0.00 173.10 176.69 3h9x h ALA 102 N 3.41 1.72 0.22 3.20 0.00 -1.95 0.37 119.26 126.22 3h9x h ALA 102 Ca -0.47 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3h9x h ALA 102 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h9x h ALA 102 CO 0.65 -0.03 -0.10 -0.22 0.00 0.00 0.00 179.25 179.54 3h9x h LYS 103 N 0.78 -0.28 -0.62 0.00 3.64 -1.99 0.37 116.57 118.46 3h9x h LYS 103 Ca 0.53 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.96 3h9x h LYS 103 Cb 0.81 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3h9x h LYS 103 CO -0.31 -0.10 0.41 1.49 -2.27 0.00 0.00 179.45 178.67 3h9x h GLU 104 N -0.41 0.75 -0.30 1.90 4.57 -1.66 -1.74 114.58 117.69 3h9x h GLU 104 Ca -0.03 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 3h9x h GLU 104 Cb 0.31 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3h9x h GLU 104 CO 0.05 0.49 -0.20 0.82 -1.18 0.00 0.00 179.01 178.99 3h9x h ILE 105 N 0.77 1.30 -1.00 2.32 2.04 0.11 -2.59 117.51 120.45 3h9x h ILE 105 Ca 0.24 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.83 3h9x h ILE 105 Cb 0.02 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3h9x h ILE 105 CO -0.06 0.43 0.65 0.45 0.00 0.00 0.00 178.15 179.62 3h9x h HIS 106 N 0.42 1.21 -0.48 1.37 3.86 0.60 0.77 115.15 122.90 3h9x h HIS 106 Ca 0.06 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 3h9x h HIS 106 Cb 0.74 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3h9x h HIS 106 CO 0.07 0.64 -0.17 0.66 0.86 0.00 0.00 177.93 179.99 3h9x h SER 107 N 1.20 0.98 -0.73 2.45 4.64 -1.40 -1.45 113.55 119.25 3h9x h SER 107 Ca 0.42 -0.38 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3h9x h SER 107 Cb 0.13 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3h9x h SER 107 CO -0.16 1.14 0.24 -0.07 -0.87 0.00 0.00 176.83 177.11 3h9x h LEU 108 N 0.82 1.05 -1.13 5.97 3.38 -0.96 0.22 115.31 124.66 3h9x h LEU 108 Ca 0.12 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3h9x h LEU 108 Cb 0.74 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3h9x h LEU 108 CO 0.06 0.97 0.59 0.40 0.09 0.00 0.00 178.44 180.55 3h9x h ILE 109 N 1.07 1.20 -0.12 1.22 1.08 -0.67 -0.86 117.51 120.43 3h9x h ILE 109 Ca 0.24 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 3h9x h ILE 109 Cb 0.29 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 33.95 3h9x h ILE 109 CO -0.01 0.22 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.52 3h9x h GLU 110 N 1.18 0.26 -0.61 2.37 4.57 -0.16 -2.11 114.58 120.07 3h9x h GLU 110 Ca 0.34 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 3h9x h GLU 110 Cb -0.08 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 3h9x h GLU 110 CO -0.08 0.60 0.30 -0.44 -1.18 0.00 0.00 179.01 178.21 3h9x h ASP 111 N -0.09 0.41 -0.20 1.04 5.19 -0.19 -0.11 116.42 122.48 3h9x h ASP 111 Ca 0.03 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3h9x h ASP 111 Cb 0.52 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 3h9x h ASP 111 CO 0.02 0.26 -0.10 -1.28 -3.12 0.00 0.00 179.24 175.02 3h9x h SER 112 N 0.56 0.54 0.16 6.45 0.87 -1.16 -0.67 113.55 120.30 3h9x h SER 112 Ca 0.29 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3h9x h SER 112 Cb 0.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3h9x h SER 112 CO -0.21 0.68 -0.08 0.15 -0.53 0.00 0.00 176.83 176.83 3h9x h PHE 113 N 0.52 -0.20 -0.01 2.24 3.57 -0.56 -2.95 116.94 119.54 3h9x h PHE 113 Ca 0.10 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3h9x h PHE 113 Cb 0.48 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3h9x h PHE 113 CO 0.02 0.07 -0.33 1.96 -2.23 0.00 0.00 178.31 177.80 3h9x h GLN 114 N -0.47 0.02 0.00 1.11 1.08 -0.95 -2.29 115.11 113.60 3h9x h GLN 114 Ca -0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3h9x h GLN 114 Cb 0.37 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3h9x h GLN 114 CO 0.04 0.34 0.00 1.25 -0.95 0.00 0.00 178.83 179.51 3h9x h LEU 115 N 0.01 0.00 -2.79 1.46 7.12 -1.06 -3.04 115.31 117.01 3h9x h LEU 115 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3h9x h LEU 115 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 3h9x h LEU 115 CO 0.04 0.00 -0.03 0.35 -0.13 0.00 0.00 178.44 178.67 3h9x n THR 116 N -2.36 1.22 0.54 1.05 -2.24 -0.98 -5.08 114.28 106.44 3h9x n THR 116 Ca 0.02 -1.37 0.04 0.00 -2.27 0.00 0.00 64.05 60.48 3h9x n THR 116 Cb 0.27 0.24 0.26 0.00 -2.10 0.00 0.00 70.33 69.00 3h9x n THR 116 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36