#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2r n THR 2 N 0.00 0.00 -4.01 0.00 -2.24 -1.26 -4.78 114.28 101.99 3h2r n THR 2 Ca 0.00 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3h2r n THR 2 Cb 0.00 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 3h2r n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h2r s LYS 3 N -1.55 0.26 0.13 -0.78 1.02 -1.26 -0.20 119.74 117.35 3h2r s LYS 3 Ca 0.02 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.75 3h2r s LYS 3 Cb 0.04 -0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 3h2r s LYS 3 CO 0.21 0.04 0.01 0.00 -0.92 0.00 0.00 175.35 174.69 3h2r s ALA 4 N -0.46 1.03 0.02 5.17 0.00 0.09 -0.97 121.76 126.63 3h2r s ALA 4 Ca -0.03 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 3h2r s ALA 4 Cb -0.04 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3h2r s ALA 4 CO -0.00 -0.37 0.23 0.54 0.00 0.00 0.00 175.76 176.16 3h2r s VAL 5 N -3.82 0.08 -0.07 0.00 0.11 -0.12 -0.91 120.40 115.67 3h2r s VAL 5 Ca 0.20 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 3h2r s VAL 5 Cb 0.07 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3h2r s VAL 5 CO 0.00 -0.38 0.16 0.00 -3.33 0.00 0.00 175.10 171.55 3h2r s VAL 7 N 1.37 5.26 -0.11 0.00 1.01 -1.26 -0.90 120.40 125.77 3h2r s VAL 7 Ca -0.07 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3h2r s VAL 7 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3h2r s VAL 7 CO -0.06 0.02 0.67 -0.76 0.00 0.00 0.00 175.10 174.97 3h2r s LEU 8 N 1.72 4.26 0.03 3.92 1.43 0.52 -3.92 118.68 126.64 3h2r s LEU 8 Ca 0.06 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 3h2r s LEU 8 Cb -0.17 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 3h2r s LEU 8 CO 0.10 -0.16 0.08 -0.54 0.23 0.00 0.00 176.35 176.06 3h2r s LYS 9 N 1.15 0.55 0.00 1.70 1.02 -0.43 -2.36 119.74 121.37 3h2r s LYS 9 Ca 0.34 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3h2r s LYS 9 Cb -0.17 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 3h2r s LYS 9 CO 0.15 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3h2r n GLY 10 N 0.90 3.50 0.14 -3.33 0.00 -1.24 -0.98 105.19 104.19 3h2r n GLY 10 Ca -0.20 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.61 3h2r n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2r h ASP 11 N 0.00 0.00 -0.79 1.61 3.32 -1.92 -3.46 116.42 115.18 3h2r h ASP 11 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3h2r h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h2r h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 3h2r n GLY 12 N 1.23 3.51 0.26 2.75 0.00 -1.26 -5.03 105.19 106.65 3h2r n GLY 12 Ca 0.04 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.26 3h2r n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2r n PRO 13 N 0.00 1.23 -2.49 1.61 -0.04 -1.26 -4.89 135.00 129.16 3h2r n PRO 13 Ca 0.00 -0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 62.51 3h2r n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 3h2r n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h2r s VAL 14 N -2.13 4.35 0.03 0.52 1.01 -1.26 -4.23 120.40 118.69 3h2r s VAL 14 Ca 0.38 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.86 3h2r s VAL 14 Cb 0.21 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3h2r s VAL 14 CO 0.39 -0.03 0.35 0.00 0.00 0.00 0.00 175.10 175.80 3h2r s GLN 15 N 2.43 0.83 -0.06 2.72 -2.07 -0.73 -3.63 119.66 119.15 3h2r s GLN 15 Ca 0.54 -0.40 -0.32 0.00 -1.82 0.00 0.00 55.36 53.36 3h2r s GLN 15 Cb -0.23 0.36 0.14 0.00 -1.09 0.00 0.00 33.01 32.19 3h2r s GLN 15 CO 0.20 -0.27 1.38 0.20 -1.32 0.00 0.00 175.29 175.47 3h2r s GLY 16 N -1.93 -0.47 -0.09 2.60 0.00 -0.99 -0.50 107.32 105.93 3h2r s GLY 16 Ca -0.06 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.52 3h2r s GLY 16 CO -0.02 0.15 -0.12 -0.42 0.00 0.00 0.00 173.10 172.69 3h2r s ILE 17 N -2.19 1.26 -0.10 0.90 1.01 -0.97 -0.36 121.20 120.75 3h2r s ILE 17 Ca 0.15 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3h2r s ILE 17 Cb 0.07 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 3h2r s ILE 17 CO -0.06 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.42 3h2r s ILE 18 N 1.05 2.22 0.02 2.92 -1.09 -0.08 -2.57 121.20 123.66 3h2r s ILE 18 Ca -0.07 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 3h2r s ILE 18 Cb -0.15 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3h2r s ILE 18 CO -0.01 0.55 0.11 0.20 -1.23 0.00 0.00 174.94 174.56 3h2r s ASN 19 N 0.32 5.80 -0.03 3.58 0.01 0.13 -0.73 114.94 124.01 3h2r s ASN 19 Ca -0.17 0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.17 3h2r s ASN 19 Cb -0.17 -1.68 -0.00 0.00 0.41 0.00 0.00 41.25 39.80 3h2r s ASN 19 CO 0.08 0.24 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.39 3h2r s PHE 20 N -1.28 1.57 -0.02 2.20 0.08 -0.09 -1.27 117.98 119.17 3h2r s PHE 20 Ca 0.26 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3h2r s PHE 20 Cb -0.12 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 3h2r s PHE 20 CO 0.17 -0.12 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.14 3h2r s GLU 21 N -0.05 0.40 -0.38 0.44 2.12 -0.12 -0.73 118.70 120.38 3h2r s GLU 21 Ca -0.01 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.27 3h2r s GLU 21 Cb -0.10 -0.46 0.14 0.00 0.26 0.00 0.00 34.13 33.98 3h2r s GLU 21 CO 0.01 -0.02 0.24 -1.14 -0.54 0.00 0.00 175.26 173.81 3h2r s GLN 22 N 0.46 0.76 0.40 4.30 0.74 0.71 -0.76 119.66 126.27 3h2r s GLN 22 Ca -0.05 -1.59 0.20 0.00 0.05 0.00 0.00 55.36 53.97 3h2r s GLN 22 Cb -0.08 -1.54 0.82 0.00 1.10 0.00 0.00 33.01 33.31 3h2r s GLN 22 CO -0.01 -1.23 1.80 0.87 -0.55 0.00 0.00 175.29 176.18 3h2r h LYS 23 N 6.75 0.00 -5.29 1.67 1.57 -1.83 -3.41 116.57 116.03 3h2r h LYS 23 Ca 0.08 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.20 3h2r h LYS 23 Cb 0.95 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.99 3h2r h LYS 23 CO 0.32 0.32 -0.77 -1.21 -0.57 0.00 0.00 179.45 177.55 3h2r s GLU 24 N -3.76 3.37 0.22 3.15 8.01 -1.26 -5.06 118.70 123.37 3h2r s GLU 24 Ca -0.01 -0.69 -0.32 0.00 0.01 0.00 0.00 54.97 53.97 3h2r s GLU 24 Cb 0.12 -2.65 -0.14 0.00 -4.31 0.00 0.00 34.13 27.15 3h2r s GLU 24 CO 0.67 0.18 1.37 0.43 0.01 0.00 0.00 175.26 177.91 3h2r n SER 25 N 3.63 2.48 0.00 -0.19 7.64 -1.26 -0.82 113.62 125.10 3h2r n SER 25 Ca -0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.84 3h2r n SER 25 Cb 0.53 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 3h2r n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3h2r n ASN 26 N 2.21 -4.89 -4.57 6.43 3.02 -1.26 -4.98 115.26 111.21 3h2r n ASN 26 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 3h2r n ASN 26 Cb 0.30 -2.63 0.13 0.00 -0.61 0.00 0.00 39.78 36.96 3h2r n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3h2r s GLY 27 N -2.00 1.75 0.55 7.41 0.00 0.00 -5.05 107.32 109.98 3h2r s GLY 27 Ca 0.00 -1.84 -0.22 0.00 0.00 0.00 0.00 44.72 42.67 3h2r s GLY 27 CO 0.00 -1.19 1.35 -4.14 0.00 0.00 0.00 173.10 169.13 3h2r s PRO 28 N -5.25 3.11 -0.21 2.90 0.02 -1.26 -4.89 135.00 129.41 3h2r s PRO 28 Ca 0.69 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.86 3h2r s PRO 28 Cb -0.04 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 3h2r s PRO 28 CO 0.46 -1.21 0.06 0.08 -0.33 0.00 0.00 177.00 176.06 3h2r s VAL 29 N -1.31 4.45 0.01 3.83 1.01 0.44 -4.60 120.40 124.23 3h2r s VAL 29 Ca 0.72 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 3h2r s VAL 29 Cb -0.40 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3h2r s VAL 29 CO 0.47 0.40 0.74 -0.54 0.00 0.00 0.00 175.10 176.17 3h2r s LYS 30 N 1.03 4.46 -0.12 2.72 1.02 0.06 -1.11 119.74 127.79 3h2r s LYS 30 Ca 0.04 0.99 0.01 0.00 0.02 0.00 0.00 55.97 57.03 3h2r s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3h2r s LYS 30 CO 0.03 0.23 -0.15 0.08 -0.92 0.00 0.00 175.35 174.62 3h2r s VAL 31 N 0.15 1.51 0.09 3.17 1.01 0.47 -0.94 120.40 125.87 3h2r s VAL 31 Ca 0.38 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 3h2r s VAL 31 Cb -0.20 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3h2r s VAL 31 CO 0.21 0.45 0.41 -1.66 0.00 0.00 0.00 175.10 174.50 3h2r s TRP 32 N 1.12 -0.23 -5.00 5.22 -2.14 -0.40 -0.32 118.94 117.19 3h2r s TRP 32 Ca -0.04 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.75 3h2r s TRP 32 Cb -0.14 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 3h2r s TRP 32 CO -0.04 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 3h2r n GLY 33 N 0.07 0.08 3.05 3.67 0.00 -0.77 0.17 105.19 111.46 3h2r n GLY 33 Ca -0.17 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3h2r n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2r s SER 34 N -4.00 0.03 -0.04 1.61 0.15 -1.06 -0.57 113.70 109.81 3h2r s SER 34 Ca 0.00 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3h2r s SER 34 Cb 0.00 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3h2r s SER 34 CO 0.00 -0.27 -0.10 -0.63 1.20 0.00 0.00 173.24 173.44 3h2r s ILE 35 N -1.00 0.94 0.40 6.45 1.01 -0.20 -2.28 121.20 126.52 3h2r s ILE 35 Ca -0.11 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.18 3h2r s ILE 35 Cb -0.06 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.50 3h2r s ILE 35 CO 0.01 0.30 0.03 -1.59 0.00 0.00 0.00 174.94 173.69 3h2r s LYS 36 N 0.40 1.89 0.00 2.79 -2.85 0.34 0.22 119.74 122.54 3h2r s LYS 36 Ca -0.08 -2.10 0.00 0.00 -1.00 0.00 0.00 55.97 52.80 3h2r s LYS 36 Cb -0.12 -1.28 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 3h2r s LYS 36 CO 0.02 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.70 3h2r n GLY 37 N -0.92 0.61 3.92 0.59 0.00 -1.02 -1.76 105.19 106.62 3h2r n GLY 37 Ca -0.06 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3h2r n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2r s LEU 38 N 0.00 3.99 0.42 0.99 1.43 -0.77 -4.26 118.68 120.49 3h2r s LEU 38 Ca 0.00 0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 53.51 3h2r s LEU 38 Cb 0.00 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 3h2r s LEU 38 CO 0.00 -0.27 1.04 0.42 0.23 0.00 0.00 176.35 177.77 3h2r s THR 39 N -2.24 3.78 0.26 5.49 -4.23 -1.26 -4.14 115.64 113.30 3h2r s THR 39 Ca 0.43 1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 61.92 3h2r s THR 39 Cb -0.10 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 69.99 3h2r s THR 39 CO 0.34 -0.07 1.50 1.21 -0.54 0.00 0.00 174.62 177.06 3h2r n GLU 40 N -0.31 2.36 0.00 3.99 2.13 -1.26 -4.64 120.64 122.91 3h2r n GLU 40 Ca 0.06 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3h2r n GLU 40 Cb 0.51 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3h2r n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h2r n GLY 41 N 2.22 0.51 3.81 8.31 0.00 -0.67 -4.94 105.19 114.42 3h2r n GLY 41 Ca 0.10 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 3h2r n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2r s LEU 42 N 0.00 4.49 -0.03 0.99 1.43 -1.26 -0.88 118.68 123.41 3h2r s LEU 42 Ca 0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3h2r s LEU 42 Cb 0.00 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 43.07 3h2r s LEU 42 CO 0.00 0.19 0.00 -1.00 0.23 0.00 0.00 176.35 175.77 3h2r s HIS 43 N -1.24 0.35 0.38 0.29 3.76 -0.24 -3.07 115.29 115.53 3h2r s HIS 43 Ca 0.34 -0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.97 3h2r s HIS 43 Cb -0.19 -0.46 -0.11 0.00 1.11 0.00 0.00 32.58 32.93 3h2r s HIS 43 CO 0.21 -0.15 1.33 0.41 -0.85 0.00 0.00 174.74 175.69 3h2r n GLY 44 N 4.27 0.71 2.74 -2.22 0.00 -0.02 -1.09 105.19 109.58 3h2r n GLY 44 Ca -0.24 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3h2r n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2r s PHE 45 N -1.14 1.41 0.04 1.61 5.36 -0.17 -0.50 117.98 124.59 3h2r s PHE 45 Ca 0.57 -1.34 0.04 0.00 -0.96 0.00 0.00 56.93 55.23 3h2r s PHE 45 Cb -0.53 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 3h2r s PHE 45 CO 0.61 -0.76 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.49 3h2r s HIS 46 N 1.72 0.93 -0.11 10.12 3.76 -0.57 -1.45 115.29 129.70 3h2r s HIS 46 Ca 0.04 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 3h2r s HIS 46 Cb -0.17 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3h2r s HIS 46 CO -0.18 -0.01 0.59 0.08 -0.85 0.00 0.00 174.74 174.38 3h2r s VAL 47 N -0.93 5.10 0.25 -0.90 1.01 0.95 -0.29 120.40 125.60 3h2r s VAL 47 Ca -0.02 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.22 3h2r s VAL 47 Cb -0.08 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3h2r s VAL 47 CO 0.01 0.26 0.19 -1.00 0.00 0.00 0.00 175.10 174.55 3h2r s HIS 48 N 0.93 3.09 0.21 5.22 3.76 0.16 -0.73 115.29 127.92 3h2r s HIS 48 Ca 0.31 -0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 3h2r s HIS 48 Cb -0.16 -1.40 0.15 0.00 1.11 0.00 0.00 32.58 32.28 3h2r s HIS 48 CO 0.13 0.52 1.79 1.49 -0.85 0.00 0.00 174.74 177.83 3h2r h GLU 49 N 1.51 1.12 -6.04 1.40 4.81 -0.77 -2.56 114.58 114.05 3h2r h GLU 49 Ca -0.48 -0.18 -0.68 0.00 -0.13 0.00 0.00 59.36 57.89 3h2r h GLU 49 Cb 1.24 -0.20 -0.22 0.00 0.63 0.00 0.00 28.75 30.21 3h2r h GLU 49 CO 0.61 0.88 -0.73 -0.06 -0.73 0.00 0.00 179.01 178.98 3h2r s PHE 50 N -5.66 2.85 -0.81 0.92 0.08 -0.00 -4.67 117.98 110.68 3h2r s PHE 50 Ca -0.13 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 3h2r s PHE 50 Cb 0.15 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3h2r s PHE 50 CO 0.82 0.18 2.79 0.41 -0.10 0.00 0.00 175.22 179.33 3h2r n GLY 51 N 2.52 4.44 3.14 4.36 0.00 -0.94 -3.55 105.19 115.15 3h2r n GLY 51 Ca -0.18 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 3h2r n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2r s ASP 52 N 0.80 4.85 -0.18 1.61 -1.08 -1.26 -4.96 116.67 116.45 3h2r s ASP 52 Ca 0.60 -1.46 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 3h2r s ASP 52 Cb 0.28 -1.69 0.60 0.00 -1.46 0.00 0.00 42.92 40.66 3h2r s ASP 52 CO -0.13 -0.29 1.51 -3.20 0.52 0.00 0.00 175.17 173.58 3h2r n ASN 53 N 4.56 4.37 0.25 -0.34 5.15 -1.26 -3.45 115.26 124.54 3h2r n ASN 53 Ca -0.11 -2.88 0.08 0.00 -0.60 0.00 0.00 54.58 51.08 3h2r n ASN 53 Cb 0.43 -0.56 0.63 0.00 -0.53 0.00 0.00 39.78 39.75 3h2r n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3h2r h THR 54 N 2.56 0.98 -0.94 -0.44 1.35 -1.92 -1.98 112.91 112.52 3h2r h THR 54 Ca 0.00 -0.20 -0.52 0.00 -0.55 0.00 0.00 66.41 65.14 3h2r h THR 54 Cb 1.53 1.11 -0.42 0.00 -1.73 0.00 0.00 68.15 68.64 3h2r h THR 54 CO 0.28 0.06 -0.85 0.00 -0.25 0.00 0.00 175.52 174.76 3h2r n ALA 55 N -2.50 4.70 -0.96 6.62 0.00 -1.26 -5.06 120.51 122.06 3h2r n ALA 55 Ca -0.03 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.62 3h2r n ALA 55 Cb 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3h2r n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2r n GLY 56 N -0.61 1.70 0.30 0.00 0.00 -0.75 -2.46 105.19 103.38 3h2r n GLY 56 Ca 0.37 -0.53 0.19 0.00 0.00 0.00 0.00 46.02 46.05 3h2r n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2r h THR 58 N 0.00 0.04 -0.44 0.00 1.35 -1.83 -2.55 112.91 109.48 3h2r h THR 58 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3h2r h THR 58 Cb 0.35 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3h2r h THR 58 CO 0.00 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 3h2r n SER 59 N -3.12 3.24 0.15 5.36 3.41 -1.13 -4.39 113.62 117.14 3h2r n SER 59 Ca -0.01 -1.96 0.13 0.00 -0.26 0.00 0.00 58.87 56.77 3h2r n SER 59 Cb 0.23 -0.29 0.51 0.00 -0.26 0.00 0.00 64.21 64.41 3h2r n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2r h ALA 60 N 4.36 1.00 0.00 7.33 0.00 -1.48 -3.40 119.26 127.07 3h2r h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2r h ALA 60 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h2r h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h2r n GLY 61 N 0.09 -1.97 3.72 0.00 0.00 -1.26 -0.82 105.19 104.95 3h2r n GLY 61 Ca 0.02 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 3h2r n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h2r s PRO 62 N 0.00 1.39 0.13 1.61 0.02 -1.26 -4.55 135.00 132.34 3h2r s PRO 62 Ca 0.00 0.94 -0.35 0.00 0.02 0.00 0.00 61.00 61.61 3h2r s PRO 62 Cb 0.00 -1.81 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 3h2r s PRO 62 CO 0.00 -2.18 1.28 1.58 -0.33 0.00 0.00 177.00 177.34 3h2r n HIS 63 N -3.86 1.48 -2.03 6.54 -0.00 -1.26 -0.64 115.22 115.45 3h2r n HIS 63 Ca 0.08 0.63 -0.42 0.00 -0.00 0.00 0.00 57.72 58.00 3h2r n HIS 63 Cb 0.55 -2.32 -0.03 0.00 -0.00 0.00 0.00 29.99 28.19 3h2r n HIS 63 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3h2r s PHE 64 N 0.20 2.01 -0.47 1.57 5.36 0.09 -4.62 117.98 122.11 3h2r s PHE 64 Ca 0.79 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 57.08 3h2r s PHE 64 Cb -0.89 -3.91 0.21 0.00 -0.34 0.00 0.00 43.02 38.09 3h2r s PHE 64 CO 0.49 -3.64 0.86 -1.71 -1.46 0.00 0.00 175.22 169.75 3h2r n ASN 65 N 7.42 -2.89 -4.71 6.13 5.15 -1.26 -0.45 115.26 124.65 3h2r n ASN 65 Ca 0.18 -2.63 -0.43 0.00 -0.60 0.00 0.00 54.58 51.10 3h2r n ASN 65 Cb 0.43 1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 41.20 3h2r n ASN 65 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3h2r n PRO 66 N 2.50 2.73 0.25 1.20 -0.02 -1.26 -4.88 135.00 135.52 3h2r n PRO 66 Ca 0.14 0.99 0.15 0.00 -2.02 0.00 0.00 63.50 62.75 3h2r n PRO 66 Cb 0.60 -2.84 0.51 0.00 -0.02 0.00 0.00 33.50 31.75 3h2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h2r h LEU 67 N 7.25 0.00 -1.36 2.45 3.38 -2.01 -3.50 115.31 121.52 3h2r h LEU 67 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3h2r h LEU 67 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3h2r h LEU 67 CO 0.95 0.04 0.21 0.77 0.09 0.00 0.00 178.44 180.50 3h2r h SER 68 N 0.00 0.00 -2.92 -0.43 4.64 -2.00 -3.57 113.55 109.27 3h2r h SER 68 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3h2r h SER 68 Cb 0.68 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3h2r h SER 68 CO 0.01 0.00 -0.52 -0.13 -0.87 0.00 0.00 176.83 175.32 3h2r s ARG 80 N -3.58 3.34 0.22 4.77 0.52 -1.26 -5.13 118.95 117.83 3h2r s ARG 80 Ca -0.02 -0.43 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 3h2r s ARG 80 Cb 0.06 -3.01 0.35 0.00 0.52 0.00 0.00 34.95 32.87 3h2r s ARG 80 CO 0.19 0.63 1.70 0.28 0.02 0.00 0.00 175.30 178.12 3h2r h VAL 81 N 2.50 0.62 0.00 3.52 2.07 -1.94 -1.55 116.25 121.47 3h2r h VAL 81 Ca -0.47 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3h2r h VAL 81 Cb 1.17 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3h2r h VAL 81 CO 0.71 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.96 3h2r n GLY 82 N -1.33 -1.10 3.55 2.17 0.00 0.40 -4.48 105.19 104.41 3h2r n GLY 82 Ca 0.11 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3h2r n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2r s ASP 83 N -2.37 6.39 0.00 1.61 2.15 -0.59 -0.03 116.67 123.83 3h2r s ASP 83 Ca 0.32 -0.14 0.22 0.00 0.43 0.00 0.00 52.55 53.38 3h2r s ASP 83 Cb 0.19 -2.49 0.56 0.00 -0.30 0.00 0.00 42.92 40.88 3h2r s ASP 83 CO 0.39 -1.35 1.46 0.18 -0.17 0.00 0.00 175.17 175.68 3h2r n LEU 84 N 7.93 2.61 0.00 -1.34 4.77 -0.52 -4.88 117.00 125.56 3h2r n LEU 84 Ca 0.05 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3h2r n LEU 84 Cb 0.48 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3h2r n LEU 84 CO 0.67 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3h2r n GLY 85 N 1.32 0.10 3.56 -0.72 0.00 -1.22 -4.91 105.19 103.33 3h2r n GLY 85 Ca 0.18 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 3h2r n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2r s ASN 86 N -4.00 4.36 0.11 1.61 0.01 -1.26 -0.99 114.94 114.78 3h2r s ASN 86 Ca 0.00 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 3h2r s ASN 86 Cb 0.00 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.76 3h2r s ASN 86 CO 0.00 0.21 0.12 0.68 -1.51 0.00 0.00 177.10 176.60 3h2r s VAL 87 N -1.13 4.60 -0.24 1.60 -7.23 -0.25 -4.91 120.40 112.85 3h2r s VAL 87 Ca 0.20 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 3h2r s VAL 87 Cb -0.11 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3h2r s VAL 87 CO 0.11 0.04 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.99 3h2r s THR 88 N -1.54 2.99 0.06 5.32 2.01 -1.26 -1.07 115.64 122.15 3h2r s THR 88 Ca 0.30 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 3h2r s THR 88 Cb -0.11 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 3h2r s THR 88 CO 0.23 0.29 0.62 0.00 -0.69 0.00 0.00 174.62 175.07 3h2r s ALA 89 N 1.38 3.52 0.79 7.40 0.00 -0.06 -4.17 121.76 130.61 3h2r s ALA 89 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 3h2r s ALA 89 Cb -0.16 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.23 3h2r s ALA 89 CO -0.05 0.29 0.04 -0.40 0.00 0.00 0.00 175.76 175.64 3h2r n ASP 90 N 2.07 0.02 0.26 0.00 5.68 -0.17 -1.68 116.55 122.73 3h2r n ASP 90 Ca -0.08 -1.02 0.17 0.00 -0.50 0.00 0.00 54.79 53.36 3h2r n ASP 90 Cb 0.50 -0.03 0.75 0.00 -1.14 0.00 0.00 41.12 41.21 3h2r n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h2r h LYS 91 N 0.00 0.00 -0.08 0.11 2.10 -1.98 -1.01 116.57 115.71 3h2r h LYS 91 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3h2r h LYS 91 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3h2r h LYS 91 CO 0.01 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.21 3h2r n ASP 92 N -2.89 1.89 0.00 7.07 8.00 -1.26 -4.89 116.55 124.47 3h2r n ASP 92 Ca 0.00 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3h2r n ASP 92 Cb 0.23 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3h2r n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2r n GLY 93 N 1.21 0.58 3.59 0.44 0.00 -0.38 -4.73 105.19 105.89 3h2r n GLY 93 Ca 0.18 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3h2r n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2r s VAL 94 N -2.00 4.63 -0.28 1.61 1.01 -1.26 -1.85 120.40 122.26 3h2r s VAL 94 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3h2r s VAL 94 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3h2r s VAL 94 CO 0.00 0.44 0.06 0.00 0.00 0.00 0.00 175.10 175.59 3h2r s ALA 95 N 0.61 3.02 -0.08 5.51 0.00 0.13 -1.00 121.76 129.94 3h2r s ALA 95 Ca 0.03 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 3h2r s ALA 95 Cb -0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3h2r s ALA 95 CO 0.01 -0.85 0.61 -0.51 0.00 0.00 0.00 175.76 175.02 3h2r s ASP 96 N 1.49 6.87 -0.15 0.00 1.01 -1.26 -1.03 116.67 123.60 3h2r s ASP 96 Ca 0.03 1.04 -0.02 0.00 0.71 0.00 0.00 52.55 54.31 3h2r s ASP 96 Cb -0.17 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3h2r s ASP 96 CO 0.01 -0.06 -0.10 -0.69 0.21 0.00 0.00 175.17 174.55 3h2r s VAL 97 N 0.69 3.33 -0.27 -1.27 1.01 0.26 -4.76 120.40 119.40 3h2r s VAL 97 Ca 0.33 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3h2r s VAL 97 Cb -0.17 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 33.93 3h2r s VAL 97 CO 0.15 0.51 0.37 -0.55 0.00 0.00 0.00 175.10 175.57 3h2r s SER 98 N 0.46 0.60 0.06 3.32 0.15 -1.25 -1.84 113.70 115.20 3h2r s SER 98 Ca -0.07 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.42 3h2r s SER 98 Cb -0.15 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 3h2r s SER 98 CO 0.04 -0.34 -0.11 -0.63 1.20 0.00 0.00 173.24 173.40 3h2r s ILE 99 N 2.50 0.87 -0.11 6.45 1.01 0.56 -5.00 121.20 127.48 3h2r s ILE 99 Ca 0.11 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.56 3h2r s ILE 99 Cb -0.14 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3h2r s ILE 99 CO -0.24 -0.31 -0.23 -0.70 0.00 0.00 0.00 174.94 173.47 3h2r s GLU 100 N -1.73 2.96 -0.06 2.79 2.12 -1.26 -0.39 118.70 123.12 3h2r s GLU 100 Ca -0.05 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.45 3h2r s GLU 100 Cb -0.10 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 32.02 3h2r s GLU 100 CO 0.01 0.10 -0.07 0.34 -0.54 0.00 0.00 175.26 175.10 3h2r s ASP 101 N 0.55 1.37 0.00 -1.70 2.15 -0.27 -4.96 116.67 113.80 3h2r s ASP 101 Ca -0.14 -0.20 0.18 0.00 0.43 0.00 0.00 52.55 52.82 3h2r s ASP 101 Cb -0.17 -0.61 0.46 0.00 -0.30 0.00 0.00 42.92 42.30 3h2r s ASP 101 CO 0.05 -0.04 1.38 -1.54 -0.17 0.00 0.00 175.17 174.84 3h2r n SER 102 N 4.11 3.40 -0.13 -0.34 3.41 -1.26 -0.42 113.62 122.39 3h2r n SER 102 Ca -0.22 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.22 3h2r n SER 102 Cb 0.51 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 3h2r n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h2r n VAL 103 N 1.17 1.44 -1.35 -3.33 0.31 -1.26 -4.88 118.33 110.43 3h2r n VAL 103 Ca 0.18 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3h2r n VAL 103 Cb 0.53 -1.52 0.12 0.00 -0.91 0.00 0.00 33.84 32.07 3h2r n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2r s ILE 104 N -2.50 2.72 0.14 2.52 -4.36 -1.26 -4.82 121.20 113.64 3h2r s ILE 104 Ca -0.35 0.23 -0.16 0.00 -0.26 0.00 0.00 60.65 60.12 3h2r s ILE 104 Cb 0.10 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 41.02 3h2r s ILE 104 CO 0.55 -0.30 0.41 -0.55 0.24 0.00 0.00 174.94 175.28 3h2r s SER 105 N -3.64 -0.22 -0.04 4.36 0.15 -0.92 -4.66 113.70 108.74 3h2r s SER 105 Ca 0.63 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 57.12 3h2r s SER 105 Cb -0.16 0.49 0.68 0.00 -1.71 0.00 0.00 66.02 65.31 3h2r s SER 105 CO 0.56 -0.88 1.58 0.18 1.20 0.00 0.00 173.24 175.87 3h2r n LEU 106 N -0.24 4.23 -3.93 3.45 4.77 -1.26 -1.60 117.00 122.43 3h2r n LEU 106 Ca -0.15 -2.12 -0.09 0.00 -0.03 0.00 0.00 56.01 53.62 3h2r n LEU 106 Cb 0.63 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h2r n LEU 106 CO 0.17 0.93 0.34 -0.94 -1.33 0.00 0.00 177.39 176.56 3h2r s SER 107 N -0.96 -0.02 0.26 -1.43 1.04 -1.26 -4.51 113.70 106.81 3h2r s SER 107 Ca 0.50 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3h2r s SER 107 Cb 0.28 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.10 3h2r s SER 107 CO 0.31 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3h2r n GLY 108 N -0.46 -1.19 0.32 7.32 0.00 -1.26 -4.16 105.19 105.76 3h2r n GLY 108 Ca -0.03 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.83 3h2r n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2r h ASP 109 N 0.00 0.37 -3.73 1.61 3.32 -2.00 -3.47 116.42 112.52 3h2r h ASP 109 Ca 0.00 -0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3h2r h ASP 109 Cb 0.00 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 39.27 3h2r h ASP 109 CO 0.00 0.25 -0.52 -1.00 -1.72 0.00 0.00 179.24 176.25 3h2r s HIS 110 N -5.40 3.20 0.00 4.55 3.76 -1.26 -4.98 115.29 115.16 3h2r s HIS 110 Ca -0.08 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3h2r s HIS 110 Cb 0.18 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.46 3h2r s HIS 110 CO 0.73 -0.35 0.00 0.44 -0.85 0.00 0.00 174.74 174.71 3h2r n ILE 112 N 5.05 0.00 -1.74 0.60 -5.35 -0.63 -2.17 119.36 115.13 3h2r n ILE 112 Ca -0.13 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 3h2r n ILE 112 Cb 0.50 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 3h2r n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3h2r s ILE 113 N 0.00 2.02 0.00 7.28 -1.09 -1.26 -1.67 121.20 126.48 3h2r s ILE 113 Ca 0.00 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3h2r s ILE 113 Cb 0.00 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3h2r s ILE 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3h2r n GLY 114 N 3.36 0.85 2.18 6.18 0.00 0.49 -5.00 105.19 113.26 3h2r n GLY 114 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3h2r n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2r n ARG 115 N -2.21 0.79 -4.85 1.61 1.74 -0.67 -2.21 116.66 110.86 3h2r n ARG 115 Ca 0.00 -1.76 -0.33 0.00 -0.77 0.00 0.00 57.85 55.00 3h2r n ARG 115 Cb 0.00 -0.12 -0.14 0.00 -1.02 0.00 0.00 32.46 31.18 3h2r n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2r s THR 116 N -1.04 2.94 -0.08 0.55 2.01 -0.97 -0.52 115.64 118.53 3h2r s THR 116 Ca 0.33 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 3h2r s THR 116 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3h2r s THR 116 CO 0.21 0.54 0.43 -0.22 -0.69 0.00 0.00 174.62 174.89 3h2r s LEU 117 N 0.15 4.34 -0.03 4.42 2.96 -0.25 0.40 118.68 130.67 3h2r s LEU 117 Ca -0.08 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.69 3h2r s LEU 117 Cb -0.15 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 3h2r s LEU 117 CO 0.05 0.13 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.39 3h2r s VAL 118 N 0.00 1.09 -0.15 1.68 1.01 0.60 -2.02 120.40 122.62 3h2r s VAL 118 Ca 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3h2r s VAL 118 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3h2r s VAL 118 CO 0.10 0.32 -0.01 0.54 0.00 0.00 0.00 175.10 176.06 3h2r s VAL 119 N 0.11 4.17 0.28 2.92 0.11 -0.67 -1.51 120.40 125.81 3h2r s VAL 119 Ca -0.03 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 3h2r s VAL 119 Cb -0.10 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 3h2r s VAL 119 CO 0.01 0.51 0.40 -1.00 -3.33 0.00 0.00 175.10 171.69 3h2r s HIS 120 N 0.13 3.29 0.15 1.54 3.76 0.34 -1.23 115.29 123.29 3h2r s HIS 120 Ca 0.01 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 3h2r s HIS 120 Cb -0.13 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.84 3h2r s HIS 120 CO 0.02 0.25 1.63 1.49 -0.85 0.00 0.00 174.74 177.28 3h2r h GLU 121 N 1.06 0.88 -5.73 1.40 4.81 -0.65 -3.36 114.58 112.98 3h2r h GLU 121 Ca -0.49 -0.25 -0.60 0.00 -0.13 0.00 0.00 59.36 57.89 3h2r h GLU 121 Cb 1.24 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 3h2r h GLU 121 CO 0.57 0.87 -0.53 0.15 -0.73 0.00 0.00 179.01 179.35 3h2r s LYS 122 N -5.14 2.12 0.50 1.92 1.02 0.61 -4.86 119.74 115.91 3h2r s LYS 122 Ca -0.12 -2.01 -0.21 0.00 0.02 0.00 0.00 55.97 53.64 3h2r s LYS 122 Cb 0.12 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.56 3h2r s LYS 122 CO 0.82 -0.14 1.18 0.00 -0.92 0.00 0.00 175.35 176.28 3h2r s ALA 123 N -2.68 2.84 -0.36 5.17 0.00 -1.18 -0.84 121.76 124.72 3h2r s ALA 123 Ca 0.35 0.95 -0.25 0.00 0.00 0.00 0.00 51.96 53.01 3h2r s ALA 123 Cb 0.06 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3h2r s ALA 123 CO 0.19 -0.81 0.85 0.34 0.00 0.00 0.00 175.76 176.33 3h2r s ASP 124 N -1.45 6.63 -0.34 0.00 2.15 -1.26 -4.29 116.67 118.11 3h2r s ASP 124 Ca 0.68 0.52 -0.32 0.00 0.43 0.00 0.00 52.55 53.86 3h2r s ASP 124 Cb -0.29 -2.43 -0.14 0.00 -0.30 0.00 0.00 42.92 39.77 3h2r s ASP 124 CO 0.34 -0.77 1.20 -3.20 -0.17 0.00 0.00 175.17 172.57 3h2r n ASN 139 N 6.55 0.75 -0.47 -0.34 5.15 -1.26 -5.00 115.26 120.63 3h2r n ASN 139 Ca 0.05 0.72 0.10 0.00 -0.60 0.00 0.00 54.58 54.86 3h2r n ASN 139 Cb 0.48 -0.61 0.40 0.00 -0.53 0.00 0.00 39.78 39.52 3h2r n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h2r n ALA 140 N 3.41 2.53 -0.50 5.20 0.00 -1.26 -4.86 120.51 125.03 3h2r n ALA 140 Ca 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3h2r n ALA 140 Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3h2r n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2r n GLY 141 N 1.08 0.06 3.72 0.00 0.00 -1.26 -0.28 105.19 108.50 3h2r n GLY 141 Ca 0.16 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3h2r n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2r s SER 142 N -4.00 3.67 -0.47 1.61 1.04 -1.26 -4.58 113.70 109.70 3h2r s SER 142 Ca 0.00 2.06 -0.18 0.00 0.48 0.00 0.00 55.95 58.31 3h2r s SER 142 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 3h2r s SER 142 CO 0.00 -2.60 0.52 -0.13 0.98 0.00 0.00 173.24 172.01 3h2r s ARG 143 N -4.67 3.09 0.11 4.02 0.52 -1.26 -0.57 118.95 120.18 3h2r s ARG 143 Ca 0.65 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 3h2r s ARG 143 Cb -0.21 -4.06 -0.15 0.00 0.52 0.00 0.00 34.95 31.04 3h2r s ARG 143 CO 0.56 -1.07 1.26 -0.07 0.02 0.00 0.00 175.30 176.00 3h2r h LEU 144 N 9.32 0.73 -7.19 2.53 3.38 -1.47 -3.47 115.31 119.14 3h2r h LEU 144 Ca -0.27 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.07 3h2r h LEU 144 Cb 1.10 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 3h2r h LEU 144 CO 0.90 1.37 0.05 0.00 0.09 0.00 0.00 178.44 180.85 3h2r s ALA 145 N -3.33 -1.35 0.25 1.53 0.00 -1.20 -4.12 121.76 113.53 3h2r s ALA 145 Ca -0.08 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 3h2r s ALA 145 Cb 0.08 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3h2r s ALA 145 CO 0.89 -0.52 0.63 0.00 0.00 0.00 0.00 175.76 176.76 3h2r s GLY 147 N -2.92 -0.51 0.12 0.00 0.00 -0.86 -1.32 107.32 101.85 3h2r s GLY 147 Ca 0.12 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.61 3h2r s GLY 147 CO 0.04 0.49 0.88 0.14 0.00 0.00 0.00 173.10 174.65 3h2r s VAL 148 N -2.69 4.47 -0.34 1.40 1.01 -1.26 -1.09 120.40 121.90 3h2r s VAL 148 Ca -0.00 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 3h2r s VAL 148 Cb -0.01 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3h2r s VAL 148 CO -0.05 0.39 1.03 -0.63 0.00 0.00 0.00 175.10 175.84 3h2r s ILE 149 N -0.38 4.52 0.25 2.22 1.01 0.32 -4.51 121.20 124.63 3h2r s ILE 149 Ca 0.42 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.72 3h2r s ILE 149 Cb -0.23 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 3h2r s ILE 149 CO 0.28 -0.51 0.02 -0.83 0.00 0.00 0.00 174.94 173.90 3h2r s GLY 150 N 1.75 1.62 0.10 6.18 0.00 -0.05 -0.38 107.32 116.55 3h2r s GLY 150 Ca 0.43 -1.59 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 3h2r s GLY 150 CO 0.17 -1.65 1.34 -0.42 0.00 0.00 0.00 173.10 172.55 3h2r s ILE 151 N -2.23 3.48 -0.01 0.90 1.01 -1.26 -0.95 121.20 122.14 3h2r s ILE 151 Ca 0.31 1.06 0.08 0.00 0.00 0.00 0.00 60.65 62.10 3h2r s ILE 151 Cb -0.07 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 3h2r s ILE 151 CO 0.20 0.08 0.18 0.00 0.00 0.00 0.00 174.94 175.40 3h2r n ALA 152 N 3.95 2.30 -0.78 9.38 0.00 -0.14 -4.80 120.51 130.42 3h2r n ALA 152 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h2r n ALA 152 Cb 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3h2r n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44