#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxm n ALA 3 N 0.00 -3.70 -2.68 3.55 0.00 -1.26 -4.92 120.51 111.50 3dxm n ALA 3 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 3dxm n ALA 3 Cb 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3dxm n ALA 3 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dxm s TYR 4 N -1.43 3.38 0.23 0.00 2.02 -1.26 -5.08 117.35 115.20 3dxm s TYR 4 Ca 0.34 0.55 0.07 0.00 -0.37 0.00 0.00 57.07 57.67 3dxm s TYR 4 Cb -0.24 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 3dxm s TYR 4 CO 0.54 0.06 0.09 -1.01 -1.57 0.00 0.00 175.55 173.65 3dxm s HIS 5 N 1.09 2.95 0.35 2.71 3.76 -1.26 -5.02 115.29 119.86 3dxm s HIS 5 Ca 0.17 -0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 3dxm s HIS 5 Cb -0.14 -1.36 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 3dxm s HIS 5 CO 0.07 0.55 1.03 0.45 -0.85 0.00 0.00 174.74 175.98 3dxm s SER 6 N -3.50 7.03 -0.20 1.40 0.15 -1.26 -4.96 113.70 112.36 3dxm s SER 6 Ca 0.31 2.03 0.14 0.00 0.70 0.00 0.00 55.95 59.13 3dxm s SER 6 Cb -0.08 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 62.08 3dxm s SER 6 CO 0.22 -0.29 1.33 -1.54 1.20 0.00 0.00 173.24 174.16 3dxm n SER 7 N 0.39 2.73 -0.84 5.45 3.41 -1.26 -4.64 113.62 118.87 3dxm n SER 7 Ca 0.03 -3.39 0.12 0.00 -0.26 0.00 0.00 58.87 55.36 3dxm n SER 7 Cb 0.49 -0.54 0.10 0.00 -0.26 0.00 0.00 64.21 64.00 3dxm n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dxm n LEU 8 N -1.03 2.72 -4.70 1.04 4.77 -1.26 -4.94 117.00 113.59 3dxm n LEU 8 Ca 0.23 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.87 3dxm n LEU 8 Cb 0.84 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 3dxm n LEU 8 CO 0.10 0.46 1.14 -0.32 -1.33 0.00 0.00 177.39 177.44 3dxm s MET 9 N -2.10 4.28 0.19 3.23 1.75 -1.26 -5.01 119.30 120.38 3dxm s MET 9 Ca 0.27 2.13 0.11 0.00 -1.25 0.00 0.00 55.69 56.94 3dxm s MET 9 Cb 0.20 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 3dxm s MET 9 CO 0.36 -0.54 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.48 3dxm s ASP 10 N 1.51 3.65 0.51 1.11 1.01 -1.26 -5.01 116.67 118.19 3dxm s ASP 10 Ca 0.67 -0.79 0.34 0.00 0.71 0.00 0.00 52.55 53.48 3dxm s ASP 10 Cb -0.37 -0.38 1.79 0.00 1.01 0.00 0.00 42.92 44.97 3dxm s ASP 10 CO 0.30 0.12 2.05 -0.65 0.21 0.00 0.00 175.17 177.19 3dxm h PRO 11 N 3.14 0.00 -0.31 8.23 0.11 -2.04 -0.77 132.00 140.36 3dxm h PRO 11 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dxm h PRO 11 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dxm h PRO 11 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 3dxm n ASP 12 N -2.75 2.90 -4.73 -2.05 5.75 -1.26 -5.00 116.55 109.41 3dxm n ASP 12 Ca -0.02 -2.07 -0.42 0.00 -0.01 0.00 0.00 54.79 52.28 3dxm n ASP 12 Cb 0.10 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3dxm n ASP 12 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dxm s THR 13 N -1.12 3.47 0.53 2.12 2.01 -0.30 -5.01 115.64 117.33 3dxm s THR 13 Ca 0.22 1.15 -0.05 0.00 0.31 0.00 0.00 61.69 63.32 3dxm s THR 13 Cb 0.12 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 3dxm s THR 13 CO 0.14 0.14 0.82 -0.54 -0.69 0.00 0.00 174.62 174.49 3dxm s LYS 14 N 0.34 3.17 0.08 4.92 -0.14 -1.26 -4.92 119.74 121.92 3dxm s LYS 14 Ca 0.58 -0.01 0.09 0.00 -1.36 0.00 0.00 55.97 55.26 3dxm s LYS 14 Cb -0.34 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3dxm s LYS 14 CO 0.34 -0.45 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.74 3dxm s LEU 15 N -4.83 2.24 -0.41 3.17 1.43 -1.26 -0.18 118.68 118.83 3dxm s LEU 15 Ca 0.51 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3dxm s LEU 15 Cb -0.10 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.17 3dxm s LEU 15 CO 0.44 0.16 0.19 -0.51 0.23 0.00 0.00 176.35 176.85 3dxm s ILE 16 N -0.95 1.66 0.00 -0.59 1.10 -0.78 -4.84 121.20 116.79 3dxm s ILE 16 Ca 0.10 -2.44 0.00 0.00 -0.51 0.00 0.00 60.65 57.79 3dxm s ILE 16 Cb -0.10 -2.19 0.00 0.00 0.15 0.00 0.00 42.46 40.33 3dxm s ILE 16 CO 0.03 -0.79 0.00 0.61 -2.11 0.00 0.00 174.94 172.69 3dxm n GLY 17 N 3.83 0.77 0.33 1.50 0.00 -1.26 -2.95 105.19 107.41 3dxm n GLY 17 Ca 0.05 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.34 3dxm n GLY 17 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dxm n ASN 18 N 5.69 2.30 -4.92 1.61 6.94 -1.26 -4.99 115.26 120.63 3dxm n ASN 18 Ca 0.00 -3.34 -0.31 0.00 -0.02 0.00 0.00 54.58 50.91 3dxm n ASN 18 Cb 0.00 -0.48 -0.04 0.00 -2.36 0.00 0.00 39.78 36.90 3dxm n ASN 18 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3dxm s MET 19 N -2.99 3.44 -0.28 -3.83 -1.94 -1.15 -4.66 119.30 107.89 3dxm s MET 19 Ca 0.35 -0.44 -0.25 0.00 -1.71 0.00 0.00 55.69 53.64 3dxm s MET 19 Cb 0.31 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 34.12 3dxm s MET 19 CO 0.01 0.61 0.88 0.00 -0.01 0.00 0.00 175.02 176.51 3dxm s ALA 20 N -1.51 3.58 -1.26 3.03 0.00 0.12 -1.87 121.76 123.85 3dxm s ALA 20 Ca 0.35 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 3dxm s ALA 20 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3dxm s ALA 20 CO 0.28 -1.14 1.96 -0.11 0.00 0.00 0.00 175.76 176.75 3dxm n LEU 21 N 6.26 5.20 -4.80 0.00 7.94 0.75 -4.83 117.00 127.52 3dxm n LEU 21 Ca 0.07 -3.74 -0.35 0.00 -1.11 0.00 0.00 56.01 50.88 3dxm n LEU 21 Cb 0.47 -1.63 -0.05 0.00 0.53 0.00 0.00 43.42 42.74 3dxm n LEU 21 CO 0.51 0.11 0.68 -0.76 -1.11 0.00 0.00 177.39 176.83 3dxm s LEU 22 N 4.09 4.04 0.60 -1.96 1.02 -1.26 -4.35 118.68 120.86 3dxm s LEU 22 Ca 0.54 1.85 -0.15 0.00 0.02 0.00 0.00 54.13 56.39 3dxm s LEU 22 Cb 0.08 -4.36 -0.03 0.00 0.02 0.00 0.00 46.19 41.90 3dxm s LEU 22 CO 0.04 -0.42 1.05 -2.84 0.02 0.00 0.00 176.35 174.20 3dxm s PRO 23 N -2.82 3.33 0.06 1.29 0.02 -1.26 -4.29 135.00 131.33 3dxm s PRO 23 Ca 0.60 1.15 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 3dxm s PRO 23 Cb -0.15 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3dxm s PRO 23 CO 0.20 -0.79 0.21 0.96 -0.33 0.00 0.00 177.00 177.24 3dxm s ILE 24 N -2.55 0.12 -0.44 2.83 -4.36 -0.90 -4.20 121.20 111.70 3dxm s ILE 24 Ca 0.62 -0.97 -0.18 0.00 -0.26 0.00 0.00 60.65 59.86 3dxm s ILE 24 Cb -0.15 -1.07 0.03 0.00 1.25 0.00 0.00 42.46 42.52 3dxm s ILE 24 CO 0.39 -0.54 0.49 -0.60 0.24 0.00 0.00 174.94 174.93 3dxm s ARG 25 N -3.04 3.11 0.10 0.37 3.52 -1.26 -2.29 118.95 119.46 3dxm s ARG 25 Ca -0.01 -0.78 -0.25 0.00 -0.13 0.00 0.00 55.73 54.56 3dxm s ARG 25 Cb 0.01 -4.00 0.08 0.00 -1.56 0.00 0.00 34.95 29.48 3dxm s ARG 25 CO -0.06 -0.95 0.66 0.45 -0.81 0.00 0.00 175.30 174.58 3dxm s SER 26 N 2.05 -0.54 -0.00 -2.12 0.15 -1.26 -5.02 113.70 106.95 3dxm s SER 26 Ca 0.13 0.09 0.16 0.00 0.70 0.00 0.00 55.95 57.04 3dxm s SER 26 Cb -0.18 0.55 -0.18 0.00 -1.71 0.00 0.00 66.02 64.50 3dxm s SER 26 CO 0.13 -0.86 0.64 0.00 1.20 0.00 0.00 173.24 174.35 3dxm n GLN 27 N -0.18 1.57 -2.20 5.44 6.02 -1.26 -4.98 117.38 121.79 3dxm n GLN 27 Ca -0.16 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.46 3dxm n GLN 27 Cb 0.63 -1.27 0.01 0.00 1.02 0.00 0.00 30.24 30.63 3dxm n GLN 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3dxm s PHE 28 N -2.59 2.65 0.43 1.08 0.40 -1.26 -4.99 117.98 113.70 3dxm s PHE 28 Ca 0.05 1.53 -0.22 0.00 -0.60 0.00 0.00 56.93 57.69 3dxm s PHE 28 Cb 0.12 -3.36 -0.10 0.00 0.51 0.00 0.00 43.02 40.19 3dxm s PHE 28 CO 0.66 -1.72 1.00 0.15 0.70 0.00 0.00 175.22 176.01 3dxm s LYS 29 N -3.14 4.10 0.00 0.44 1.02 -1.26 -5.01 119.74 115.89 3dxm s LYS 29 Ca 0.71 1.31 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3dxm s LYS 29 Cb -0.27 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3dxm s LYS 29 CO 0.30 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 3dxm n GLY 30 N -0.16 2.66 0.00 -3.33 0.00 -1.26 -4.48 105.19 98.61 3dxm n GLY 30 Ca 0.07 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 45.01 3dxm n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dxm n PRO 31 N -1.14 0.88 -2.17 1.61 -0.04 -1.26 -4.88 135.00 128.01 3dxm n PRO 31 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 3dxm n PRO 31 Cb 0.00 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3dxm n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxm s ALA 32 N -2.00 3.59 1.02 0.55 0.00 -1.26 -4.98 121.76 118.68 3dxm s ALA 32 Ca 0.06 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 3dxm s ALA 32 Cb 0.03 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.74 3dxm s ALA 32 CO 0.05 -0.76 0.86 -2.30 0.00 0.00 0.00 175.76 173.60 3dxm n PRO 33 N 4.60 -1.12 -3.07 0.00 -0.02 -1.26 -4.75 135.00 129.38 3dxm n PRO 33 Ca 0.12 -0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 60.93 3dxm n PRO 33 Cb 0.43 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3dxm n PRO 33 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dxm s ARG 34 N -4.26 4.43 -0.05 -0.52 0.52 -1.26 -2.11 118.95 115.69 3dxm s ARG 34 Ca 0.64 0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 56.50 3dxm s ARG 34 Cb -0.22 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 3dxm s ARG 34 CO 0.63 0.06 0.58 -2.00 0.02 0.00 0.00 175.30 174.59 3dxm s GLU 35 N 0.82 4.34 -0.22 3.54 2.56 -0.97 -4.77 118.70 124.00 3dxm s GLU 35 Ca 0.37 0.68 0.11 0.00 0.00 0.00 0.00 54.97 56.13 3dxm s GLU 35 Cb -0.17 -3.39 -0.21 0.00 2.00 0.00 0.00 34.13 32.35 3dxm s GLU 35 CO 0.17 0.25 -0.05 0.25 -0.56 0.00 0.00 175.26 175.32 3dxm n THR 36 N 3.21 1.40 -0.72 -1.70 -2.24 -1.26 -4.71 114.28 108.26 3dxm n THR 36 Ca -0.06 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 3dxm n THR 36 Cb 0.51 -0.85 0.25 0.00 -2.10 0.00 0.00 70.33 68.13 3dxm n THR 36 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dxm s LYS 37 N -2.49 -1.28 0.00 -0.78 1.02 -1.26 -4.94 119.74 110.01 3dxm s LYS 37 Ca -0.20 0.42 0.29 0.00 0.02 0.00 0.00 55.97 56.50 3dxm s LYS 37 Cb 0.07 -1.55 1.24 0.00 -0.52 0.00 0.00 37.83 37.07 3dxm s LYS 37 CO 0.72 -3.86 1.86 -0.40 -0.92 0.00 0.00 175.35 172.75 3dxm n ASP 38 N -4.95 0.74 -3.99 2.83 3.85 -1.26 -4.86 116.55 108.90 3dxm n ASP 38 Ca 0.07 -0.94 -0.09 0.00 -0.71 0.00 0.00 54.79 53.12 3dxm n ASP 38 Cb 0.57 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.22 3dxm n ASP 38 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3dxm s THR 39 N -2.27 0.16 0.28 2.12 2.01 -1.26 -5.12 115.64 111.56 3dxm s THR 39 Ca 0.34 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3dxm s THR 39 Cb 0.21 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 3dxm s THR 39 CO 0.42 -0.52 0.23 1.51 -0.69 0.00 0.00 174.62 175.58 3dxm s ASP 40 N -1.56 0.98 0.38 3.53 1.47 -1.26 -4.99 116.67 115.22 3dxm s ASP 40 Ca -0.14 -1.58 0.17 0.00 1.18 0.00 0.00 52.55 52.19 3dxm s ASP 40 Cb -0.09 0.49 1.08 0.00 -0.34 0.00 0.00 42.92 44.06 3dxm s ASP 40 CO -0.01 -0.98 1.75 -0.29 0.68 0.00 0.00 175.17 176.31 3dxm h ILE 41 N 2.34 0.49 -0.49 2.11 6.09 -1.95 -0.73 117.51 125.37 3dxm h ILE 41 Ca -0.30 -0.14 -0.08 0.00 -1.37 0.00 0.00 64.86 62.97 3dxm h ILE 41 Cb 1.24 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 3dxm h ILE 41 CO 0.43 0.07 -0.01 0.58 -3.07 0.00 0.00 178.15 176.16 3dxm h VAL 42 N 0.41 1.26 -0.66 2.19 2.07 -1.97 -1.35 116.25 118.20 3dxm h VAL 42 Ca 0.62 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3dxm h VAL 42 Cb 1.53 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3dxm h VAL 42 CO -0.35 0.38 0.18 0.44 0.02 0.00 0.00 177.57 178.24 3dxm h ASP 43 N 0.72 1.00 -0.43 0.57 3.32 -1.57 -2.36 116.42 117.67 3dxm h ASP 43 Ca 0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3dxm h ASP 43 Cb 0.52 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3dxm h ASP 43 CO 0.03 0.96 0.27 -0.08 -1.72 0.00 0.00 179.24 178.69 3dxm h GLU 44 N 0.98 0.58 -0.80 3.56 4.81 -1.14 0.74 114.58 123.32 3dxm h GLU 44 Ca 0.21 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3dxm h GLU 44 Cb 0.34 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3dxm h GLU 44 CO -0.00 0.42 0.34 0.00 -0.73 0.00 0.00 179.01 179.04 3dxm h ALA 45 N 1.13 1.04 -0.06 2.92 0.00 -1.10 -1.08 119.26 122.10 3dxm h ALA 45 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3dxm h ALA 45 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3dxm h ALA 45 CO -0.03 0.65 -0.53 0.82 0.00 0.00 0.00 179.25 180.15 3dxm h ILE 46 N 1.16 1.37 -0.19 0.00 2.04 -1.11 -0.48 117.51 120.29 3dxm h ILE 46 Ca 0.27 -1.82 -0.14 0.00 1.00 0.00 0.00 64.86 64.17 3dxm h ILE 46 Cb 0.19 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3dxm h ILE 46 CO -0.03 0.53 -0.44 0.22 0.00 0.00 0.00 178.15 178.44 3dxm h TYR 47 N 0.13 0.81 0.00 1.37 3.20 -0.45 -3.28 116.97 118.75 3dxm h TYR 47 Ca 0.00 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3dxm h TYR 47 Cb 0.98 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3dxm h TYR 47 CO 0.01 1.08 -0.32 1.88 -1.64 0.00 0.00 178.16 179.17 3dxm h TYR 48 N 0.32 0.00 -0.56 -3.82 0.05 -1.17 -3.42 116.97 108.38 3dxm h TYR 48 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3dxm h TYR 48 Cb 1.05 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.72 3dxm h TYR 48 CO 0.09 0.00 -0.39 0.35 -1.05 0.00 0.00 178.16 177.16 3dxm h PHE 49 N 0.00 -1.23 -1.23 4.88 3.57 -1.14 -0.59 116.94 121.20 3dxm h PHE 49 Ca 0.00 0.08 0.36 0.00 3.53 0.00 0.00 57.97 61.93 3dxm h PHE 49 Cb 0.91 0.61 -0.05 0.00 2.79 0.00 0.00 35.95 40.20 3dxm h PHE 49 CO 0.00 -0.27 0.88 0.87 -2.23 0.00 0.00 178.31 177.56 3dxm h LYS 50 N -0.07 0.02 0.00 1.11 1.57 -1.82 0.33 116.57 117.71 3dxm h LYS 50 Ca 0.09 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3dxm h LYS 50 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3dxm h LYS 50 CO -0.56 0.01 -0.69 0.00 -0.57 0.00 0.00 179.45 177.64 3dxm h ALA 51 N 1.39 0.07 -1.00 3.86 0.00 -1.69 -3.40 119.26 118.50 3dxm h ALA 51 Ca 0.59 -0.68 0.20 0.00 0.00 0.00 0.00 54.91 55.03 3dxm h ALA 51 Cb 2.33 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 20.55 3dxm h ALA 51 CO -0.03 0.53 0.59 -0.91 0.00 0.00 0.00 179.25 179.44 3dxm h ASN 52 N -1.00 0.73 -0.21 0.00 2.35 -0.71 -2.28 115.58 114.47 3dxm h ASN 52 Ca -0.10 0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3dxm h ASN 52 Cb 0.71 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3dxm h ASN 52 CO -0.06 0.22 0.26 1.62 -1.65 0.00 0.00 177.43 177.82 3dxm h VAL 53 N 0.70 0.38 0.00 2.81 3.04 -1.15 -0.58 116.25 121.44 3dxm h VAL 53 Ca 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 66.21 3dxm h VAL 53 Cb 0.99 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3dxm h VAL 53 CO -0.41 0.00 -0.35 -0.26 -1.01 0.00 0.00 177.57 175.54 3dxm h PHE 54 N 0.00 0.00 -3.92 3.17 -1.00 -1.64 -3.32 116.94 110.23 3dxm h PHE 54 Ca 0.10 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.35 3dxm h PHE 54 Cb 0.62 0.00 0.08 0.00 3.61 0.00 0.00 35.95 40.25 3dxm h PHE 54 CO 0.00 0.35 0.63 -0.06 -1.61 0.00 0.00 178.31 177.62 3dxm s PHE 55 N -3.06 2.90 -0.19 -0.55 0.40 -0.23 -4.92 117.98 112.33 3dxm s PHE 55 Ca 0.05 1.40 0.18 0.00 -0.60 0.00 0.00 56.93 57.96 3dxm s PHE 55 Cb 0.07 -3.68 -0.26 0.00 0.51 0.00 0.00 43.02 39.66 3dxm s PHE 55 CO 0.72 -2.02 0.10 1.63 0.70 0.00 0.00 175.22 176.35 3dxm n LYS 56 N 0.40 0.69 -4.54 0.44 4.01 -1.26 -1.75 118.16 116.14 3dxm n LYS 56 Ca 0.02 -0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 3dxm n LYS 56 Cb 0.43 -1.52 -0.12 0.00 -0.51 0.00 0.00 35.03 33.30 3dxm n LYS 56 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3dxm s ASN 57 N -5.44 3.76 -0.15 4.39 0.01 -1.26 -4.29 114.94 111.96 3dxm s ASN 57 Ca -0.10 -0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 51.50 3dxm s ASN 57 Cb 0.07 -0.55 0.08 0.00 0.41 0.00 0.00 41.25 41.26 3dxm s ASN 57 CO 0.83 0.22 0.28 -0.47 -1.51 0.00 0.00 177.10 176.46 3dxm s TYR 58 N -1.00 -0.48 -0.17 2.20 5.04 -1.26 -4.88 117.35 116.81 3dxm s TYR 58 Ca 0.16 0.93 -0.25 0.00 -2.44 0.00 0.00 57.07 55.46 3dxm s TYR 58 Cb -0.10 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.15 3dxm s TYR 58 CO 0.07 -0.43 0.84 -2.00 -1.34 0.00 0.00 175.55 172.69 3dxm s GLU 59 N 2.44 4.30 -0.58 4.97 2.12 -1.26 -5.00 118.70 125.68 3dxm s GLU 59 Ca 0.03 1.03 -0.27 0.00 0.36 0.00 0.00 54.97 56.12 3dxm s GLU 59 Cb -0.13 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.72 3dxm s GLU 59 CO -0.10 -0.34 1.11 0.42 -0.54 0.00 0.00 175.26 175.81 3dxm s ILE 60 N 2.19 4.12 -0.12 -3.70 1.01 -1.26 -4.85 121.20 118.59 3dxm s ILE 60 Ca 0.39 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 3dxm s ILE 60 Cb -0.17 -4.68 -0.25 0.00 0.01 0.00 0.00 42.46 37.38 3dxm s ILE 60 CO 0.12 -1.30 0.34 0.29 0.00 0.00 0.00 174.94 174.39 3dxm n LYS 61 N 8.17 0.74 -4.30 2.79 5.02 -1.26 -5.00 118.16 124.31 3dxm n LYS 61 Ca 0.06 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 3dxm n LYS 61 Cb 0.48 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3dxm n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dxm s ASN 62 N -6.87 1.39 0.00 4.39 0.01 -1.26 -4.99 114.94 107.61 3dxm s ASN 62 Ca -0.21 -1.29 0.20 0.00 -0.71 0.00 0.00 52.86 50.85 3dxm s ASN 62 Cb 0.07 0.10 0.96 0.00 0.41 0.00 0.00 41.25 42.80 3dxm s ASN 62 CO 0.76 -0.63 1.63 -1.84 -1.51 0.00 0.00 177.10 175.51 3dxm n GLU 63 N -0.40 0.20 0.08 -0.60 0.00 -1.26 -1.42 120.64 117.24 3dxm n GLU 63 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 57.16 57.16 3dxm n GLU 63 Cb 0.65 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.52 3dxm n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dxm h ALA 64 N 2.87 0.40 -0.49 -1.84 0.00 -1.91 0.38 119.26 118.67 3dxm h ALA 64 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 3dxm h ALA 64 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dxm h ALA 64 CO 0.00 1.09 -0.08 -0.44 0.00 0.00 0.00 179.25 179.82 3dxm h ASP 65 N 0.03 0.87 -0.72 0.00 3.32 -1.59 0.12 116.42 118.45 3dxm h ASP 65 Ca -0.04 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3dxm h ASP 65 Cb 1.68 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.96 3dxm h ASP 65 CO 0.14 0.98 0.46 0.03 -1.72 0.00 0.00 179.24 179.12 3dxm h ARG 66 N 0.80 0.96 -0.14 3.56 3.08 -1.59 0.51 114.38 121.57 3dxm h ARG 66 Ca 0.14 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3dxm h ARG 66 Cb 0.59 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.43 3dxm h ARG 66 CO 0.04 0.66 -0.51 1.15 -1.07 0.00 0.00 179.97 180.24 3dxm h THR 67 N 0.99 1.34 -0.66 2.04 2.02 -1.47 -2.26 112.91 114.91 3dxm h THR 67 Ca 0.26 -1.78 0.03 0.00 0.77 0.00 0.00 66.41 65.69 3dxm h THR 67 Cb -0.08 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3dxm h THR 67 CO -0.05 0.54 0.41 0.25 0.37 0.00 0.00 175.52 177.04 3dxm h LEU 68 N 0.23 0.66 -0.45 2.58 5.85 -0.17 -2.24 115.31 121.77 3dxm h LEU 68 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3dxm h LEU 68 Cb 1.13 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3dxm h LEU 68 CO 0.11 0.45 0.23 0.40 -0.34 0.00 0.00 178.44 179.29 3dxm h ILE 69 N 0.79 1.17 -0.44 4.05 2.04 0.04 -1.24 117.51 123.92 3dxm h ILE 69 Ca 0.27 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3dxm h ILE 69 Cb 0.04 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3dxm h ILE 69 CO -0.12 0.19 0.23 0.22 0.00 0.00 0.00 178.15 178.67 3dxm h TYR 70 N 0.59 0.42 -0.41 1.37 3.20 -1.01 -0.64 116.97 120.49 3dxm h TYR 70 Ca 0.16 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3dxm h TYR 70 Cb 0.09 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3dxm h TYR 70 CO -0.01 0.22 -0.04 0.82 -1.64 0.00 0.00 178.16 177.51 3dxm h ILE 71 N 0.46 1.23 -0.19 1.81 2.04 -1.23 -0.83 117.51 120.80 3dxm h ILE 71 Ca 0.18 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3dxm h ILE 71 Cb 0.07 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3dxm h ILE 71 CO -0.12 0.34 0.06 0.74 0.00 0.00 0.00 178.15 179.17 3dxm h THR 72 N 0.63 1.19 -0.54 -0.27 2.02 -0.58 0.10 112.91 115.47 3dxm h THR 72 Ca 0.12 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3dxm h THR 72 Cb 0.45 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3dxm h THR 72 CO 0.02 0.19 0.24 -0.07 0.37 0.00 0.00 175.52 176.27 3dxm h LEU 73 N 0.13 0.68 -0.41 2.58 3.38 -0.91 -2.59 115.31 118.16 3dxm h LEU 73 Ca 0.06 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3dxm h LEU 73 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dxm h LEU 73 CO -0.00 0.60 -0.33 0.22 0.09 0.00 0.00 178.44 179.01 3dxm h TYR 74 N 0.76 1.13 -0.83 1.13 3.20 -0.75 -2.75 116.97 118.86 3dxm h TYR 74 Ca 0.19 -0.32 0.16 0.00 3.14 0.00 0.00 58.73 61.89 3dxm h TYR 74 Cb 0.11 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 3dxm h TYR 74 CO 0.01 1.15 0.55 0.82 -1.64 0.00 0.00 178.16 179.04 3dxm h ILE 75 N 0.78 0.79 -0.54 1.81 2.04 -0.59 0.25 117.51 122.05 3dxm h ILE 75 Ca 0.08 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3dxm h ILE 75 Cb 0.92 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3dxm h ILE 75 CO 0.09 0.09 0.06 0.28 0.00 0.00 0.00 178.15 178.67 3dxm h SER 76 N 0.51 0.88 -0.77 1.72 0.02 -1.35 -1.49 113.55 113.07 3dxm h SER 76 Ca 0.42 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3dxm h SER 76 Cb 0.86 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 3dxm h SER 76 CO -0.16 0.93 0.45 -0.33 -1.14 0.00 0.00 176.83 176.58 3dxm h GLU 77 N 0.80 1.07 -0.35 3.45 4.39 -0.43 -1.45 114.58 122.06 3dxm h GLU 77 Ca 0.16 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 3dxm h GLU 77 Cb 0.45 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3dxm h GLU 77 CO 0.02 0.76 -0.00 0.00 -1.16 0.00 0.00 179.01 178.63 3dxm h LEU 79 N 0.44 0.40 -0.63 0.00 3.38 -0.84 0.37 115.31 118.43 3dxm h LEU 79 Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dxm h LEU 79 Cb 0.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3dxm h LEU 79 CO 0.02 0.40 0.39 0.11 0.09 0.00 0.00 178.44 179.45 3dxm h LYS 80 N 0.44 0.85 0.09 1.13 6.56 -1.03 -0.54 116.57 124.07 3dxm h LYS 80 Ca 0.11 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.47 3dxm h LYS 80 Cb 0.15 -0.18 0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3dxm h LYS 80 CO -0.01 0.59 -0.68 0.87 -2.06 0.00 0.00 179.45 178.17 3dxm h LYS 81 N 0.86 0.31 0.00 3.15 6.56 -1.24 -3.28 116.57 122.92 3dxm h LYS 81 Ca 0.23 -0.45 -0.00 0.00 -1.06 0.00 0.00 60.65 59.37 3dxm h LYS 81 Cb -0.05 0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3dxm h LYS 81 CO -0.05 1.17 -0.01 -0.07 -2.06 0.00 0.00 179.45 178.44 3dxm h LEU 82 N -0.34 0.00 -0.59 2.94 4.07 -0.22 -2.49 115.31 118.67 3dxm h LEU 82 Ca -0.11 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.88 3dxm h LEU 82 Cb 1.48 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.18 3dxm h LEU 82 CO 0.13 0.01 0.35 -0.61 -1.08 0.00 0.00 178.44 177.24 3dxm h GLN 83 N 0.00 0.66 -3.44 1.13 4.15 -1.15 -3.31 115.11 113.15 3dxm h GLN 83 Ca -0.00 -0.04 -0.75 0.00 0.77 0.00 0.00 58.65 58.63 3dxm h GLN 83 Cb 0.08 -0.15 -0.32 0.00 0.21 0.00 0.00 27.48 27.30 3dxm h GLN 83 CO 0.00 0.44 0.14 0.15 -1.93 0.00 0.00 178.83 177.63 3dxm s LYS 84 N -6.12 3.67 0.06 1.69 -0.14 -0.94 -4.98 119.74 112.98 3dxm s LYS 84 Ca -0.13 -3.22 -0.27 0.00 -1.36 0.00 0.00 55.97 51.00 3dxm s LYS 84 Cb 0.14 -4.22 0.07 0.00 -1.68 0.00 0.00 37.83 32.14 3dxm s LYS 84 CO 0.75 -1.25 0.65 0.00 -0.76 0.00 0.00 175.35 174.74 3dxm n ASN 86 N 0.19 2.00 0.00 0.00 4.13 -1.26 -4.80 115.26 115.52 3dxm n ASN 86 Ca -0.18 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.01 3dxm n ASN 86 Cb 0.61 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 3dxm n ASN 86 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dxm n SER 87 N 1.13 0.00 -0.02 6.41 3.41 -1.26 -4.62 113.62 118.67 3dxm n SER 87 Ca 0.26 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.82 3dxm n SER 87 Cb 0.47 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.60 3dxm n SER 87 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3dxm h LYS 88 N 0.00 0.58 0.38 4.33 3.64 -1.96 -1.73 116.57 121.81 3dxm h LYS 88 Ca 0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 3dxm h LYS 88 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3dxm h LYS 88 CO 0.00 0.74 -0.18 0.66 -2.27 0.00 0.00 179.45 178.40 3dxm h SER 89 N 0.52 -0.44 -0.59 4.20 4.64 -2.00 -2.69 113.55 117.19 3dxm h SER 89 Ca 0.08 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3dxm h SER 89 Cb 0.62 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 3dxm h SER 89 CO 0.04 -0.13 0.28 -0.61 -0.87 0.00 0.00 176.83 175.54 3dxm h GLN 90 N -0.76 0.49 -0.74 4.77 4.15 -1.89 -1.96 115.11 119.18 3dxm h GLN 90 Ca -0.05 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.42 3dxm h GLN 90 Cb 0.52 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 3dxm h GLN 90 CO 0.09 0.33 0.49 0.78 -1.93 0.00 0.00 178.83 178.58 3dxm h GLY 91 N 0.51 0.94 1.47 2.39 0.00 -1.29 -1.14 103.07 105.95 3dxm h GLY 91 Ca 0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3dxm h GLY 91 CO -0.22 0.18 -0.03 1.05 0.00 0.00 0.00 176.54 177.51 3dxm h GLU 92 N 0.69 0.65 -0.05 4.80 9.09 -1.01 -2.31 114.58 126.44 3dxm h GLU 92 Ca 0.34 -0.17 -0.01 0.00 0.05 0.00 0.00 59.36 59.56 3dxm h GLU 92 Cb 0.40 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3dxm h GLU 92 CO -0.12 0.69 -0.02 1.57 0.05 0.00 0.00 179.01 181.18 3dxm h LYS 93 N 0.61 0.10 -0.17 1.06 5.09 -1.09 -2.06 116.57 120.10 3dxm h LYS 93 Ca 0.12 -0.04 0.02 0.00 0.09 0.00 0.00 60.65 60.84 3dxm h LYS 93 Cb 0.43 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.75 3dxm h LYS 93 CO 0.02 0.49 0.12 0.93 -2.09 0.00 0.00 179.45 178.92 3dxm h GLU 94 N -0.30 0.12 -0.01 0.07 5.08 -1.39 -0.79 114.58 117.36 3dxm h GLU 94 Ca 0.01 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3dxm h GLU 94 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3dxm h GLU 94 CO 0.01 0.08 -0.74 1.98 -1.00 0.00 0.00 179.01 179.33 3dxm h MET 95 N 0.12 0.11 -0.02 2.33 4.05 -1.24 0.93 114.93 121.22 3dxm h MET 95 Ca 0.07 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3dxm h MET 95 Cb 0.14 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3dxm h MET 95 CO -0.01 0.80 -0.00 1.88 0.23 0.00 0.00 176.91 179.81 3dxm h TYR 96 N 0.07 0.04 0.00 1.39 -1.99 -0.46 -0.80 116.97 115.23 3dxm h TYR 96 Ca -0.02 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.72 3dxm h TYR 96 Cb 1.31 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 40.01 3dxm h TYR 96 CO 0.01 0.38 -0.08 1.15 -0.00 0.00 0.00 178.16 179.62 3dxm h THR 97 N -0.31 0.79 -0.56 -2.88 2.02 -1.18 -2.10 112.91 108.69 3dxm h THR 97 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3dxm h THR 97 Cb 0.37 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3dxm h THR 97 CO 0.00 0.00 0.30 0.25 0.37 0.00 0.00 175.52 176.44 3dxm h LEU 98 N -0.14 0.44 -1.81 2.58 7.12 -0.79 -1.35 115.31 121.36 3dxm h LEU 98 Ca 0.03 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 3dxm h LEU 98 Cb 0.18 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 3dxm h LEU 98 CO -0.08 0.30 0.03 1.23 -0.13 0.00 0.00 178.44 179.79 3dxm h GLY 99 N 0.57 0.16 1.58 3.75 0.00 -0.82 -2.86 103.07 105.45 3dxm h GLY 99 Ca 0.25 -0.07 -0.28 0.00 0.00 0.00 0.00 47.33 47.23 3dxm h GLY 99 CO -0.16 0.06 -1.29 -2.22 0.00 0.00 0.00 176.54 172.94 3dxm h ILE 100 N 0.15 1.45 -2.68 2.60 1.08 -0.60 -3.43 117.51 116.08 3dxm h ILE 100 Ca 0.04 -3.03 -0.60 0.00 -0.39 0.00 0.00 64.86 60.88 3dxm h ILE 100 Cb 0.06 2.91 0.13 0.00 -3.07 0.00 0.00 36.82 36.85 3dxm h ILE 100 CO -0.00 0.88 -0.02 0.35 -0.69 0.00 0.00 178.15 178.67 3dxm n THR 101 N -3.51 2.17 -2.66 -0.27 -2.24 -0.62 -4.85 114.28 102.30 3dxm n THR 101 Ca -0.09 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 3dxm n THR 101 Cb 1.02 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 3dxm n THR 101 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dxm s ASN 102 N -0.78 6.29 0.26 3.42 3.84 -1.26 -5.02 114.94 121.69 3dxm s ASN 102 Ca 0.62 -0.33 -0.13 0.00 0.21 0.00 0.00 52.86 53.23 3dxm s ASN 102 Cb -0.61 -2.51 -0.08 0.00 -0.55 0.00 0.00 41.25 37.50 3dxm s ASN 102 CO 0.58 -1.54 0.64 -0.36 -2.79 0.00 0.00 177.10 173.63 3dxm s PHE 103 N 4.88 3.45 0.61 0.43 0.40 -1.26 -5.04 117.98 121.45 3dxm s PHE 103 Ca 0.35 1.09 -0.19 0.00 -0.60 0.00 0.00 56.93 57.58 3dxm s PHE 103 Cb -0.10 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 3dxm s PHE 103 CO 0.18 0.23 1.20 -0.35 0.70 0.00 0.00 175.22 177.18 3dxm n PRO 104 N -0.01 1.16 -4.55 0.24 -0.04 -1.26 -5.04 135.00 125.50 3dxm n PRO 104 Ca 0.01 0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 63.65 3dxm n PRO 104 Cb 0.52 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.46 3dxm n PRO 104 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3dxm s ILE 105 N -1.40 2.18 0.17 0.52 -4.36 -1.26 -4.86 121.20 112.19 3dxm s ILE 105 Ca 0.78 -2.18 -0.33 0.00 -0.26 0.00 0.00 60.65 58.66 3dxm s ILE 105 Cb -0.40 -2.68 -0.15 0.00 1.25 0.00 0.00 42.46 40.47 3dxm s ILE 105 CO 0.44 -0.18 1.21 -2.65 0.24 0.00 0.00 174.94 174.01 3dxm n PRO 106 N -0.80 1.28 0.00 0.37 -0.02 -1.26 -1.72 135.00 132.85 3dxm n PRO 106 Ca -0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3dxm n PRO 106 Cb 0.64 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3dxm n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxm n GLY 107 N 2.09 2.17 3.86 -1.23 0.00 -1.26 -4.29 105.19 106.54 3dxm n GLY 107 Ca 0.15 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3dxm n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxm s GLU 108 N 0.00 3.87 0.16 1.61 2.02 -0.70 -5.04 118.70 120.62 3dxm s GLU 108 Ca 0.00 0.50 -0.30 0.00 0.02 0.00 0.00 54.97 55.19 3dxm s GLU 108 Cb 0.00 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.69 3dxm s GLU 108 CO 0.00 0.13 0.94 -2.14 0.02 0.00 0.00 175.26 174.20 3dxm s PRO 109 N -3.26 4.75 0.00 0.39 0.02 -1.26 -2.97 135.00 132.66 3dxm s PRO 109 Ca 0.51 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.97 3dxm s PRO 109 Cb -0.10 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3dxm s PRO 109 CO 0.23 0.35 0.00 0.41 -0.33 0.00 0.00 177.00 177.66 3dxm n GLY 110 N 1.94 1.60 3.44 0.52 0.00 -1.26 -5.01 105.19 106.42 3dxm n GLY 110 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dxm n GLY 110 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dxm s PHE 111 N -2.09 3.17 0.84 1.61 5.36 -1.16 -4.31 117.98 121.40 3dxm s PHE 111 Ca 0.00 -0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 55.31 3dxm s PHE 111 Cb 0.00 -2.34 0.09 0.00 -0.34 0.00 0.00 43.02 40.43 3dxm s PHE 111 CO 0.00 -0.44 1.10 -1.25 -1.46 0.00 0.00 175.22 173.17 3dxm s PRO 112 N 1.62 1.74 -1.18 10.12 0.04 -1.26 -3.90 135.00 142.17 3dxm s PRO 112 Ca 0.05 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3dxm s PRO 112 Cb -0.17 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3dxm s PRO 112 CO 0.06 -1.85 0.00 1.28 0.04 0.00 0.00 177.00 176.53 3dxm n LEU 113 N -3.59 -1.25 0.00 -3.56 4.77 -1.26 -4.87 117.00 107.25 3dxm n LEU 113 Ca 0.07 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 56.22 3dxm n LEU 113 Cb 0.57 -1.93 0.15 0.00 -2.33 0.00 0.00 43.42 39.88 3dxm n LEU 113 CO 0.56 -0.38 0.60 0.59 -1.33 0.00 0.00 177.39 177.44 3dxm n ASN 114 N -0.19 0.00 0.01 -1.43 3.02 -1.25 -0.70 115.26 114.72 3dxm n ASN 114 Ca -0.14 0.45 0.12 0.00 -0.03 0.00 0.00 54.58 54.98 3dxm n ASN 114 Cb 0.51 -0.46 0.17 0.00 -0.61 0.00 0.00 39.78 39.39 3dxm n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxm n ALA 115 N -1.46 3.66 0.08 5.41 0.00 -1.26 -4.17 120.51 122.77 3dxm n ALA 115 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.09 3dxm n ALA 115 Cb 0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3dxm n ALA 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dxm n ILE 116 N -1.59 0.00 -4.44 0.00 5.41 0.13 -5.00 119.36 113.86 3dxm n ILE 116 Ca 0.05 -0.23 -0.34 0.00 1.00 0.00 0.00 62.75 63.23 3dxm n ILE 116 Cb 0.35 0.66 -0.12 0.00 -0.71 0.00 0.00 39.64 39.83 3dxm n ILE 116 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3dxm s TYR 117 N -1.89 3.03 0.02 1.39 1.51 -0.45 -5.06 117.35 115.90 3dxm s TYR 117 Ca -0.00 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 3dxm s TYR 117 Cb 0.03 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3dxm s TYR 117 CO 0.16 0.11 0.93 0.00 -1.11 0.00 0.00 175.55 175.64 3dxm s ALA 118 N -0.04 3.21 0.53 3.71 0.00 -1.26 -4.76 121.76 123.15 3dxm s ALA 118 Ca 0.01 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 3dxm s ALA 118 Cb -0.13 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 3dxm s ALA 118 CO 0.03 -0.15 1.03 0.21 0.00 0.00 0.00 175.76 176.87 3dxm s LYS 119 N 0.69 3.69 0.15 0.00 2.20 -1.26 -4.48 119.74 120.72 3dxm s LYS 119 Ca 0.49 1.19 -0.31 0.00 -0.36 0.00 0.00 55.97 56.97 3dxm s LYS 119 Cb -0.21 -2.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.92 3dxm s LYS 119 CO 0.27 -0.51 1.67 -1.25 -0.36 0.00 0.00 175.35 175.17 3dxm s PRO 120 N -3.75 4.18 0.31 4.03 0.04 -1.26 -4.92 135.00 133.63 3dxm s PRO 120 Ca 0.63 2.46 0.13 0.00 0.04 0.00 0.00 61.00 64.26 3dxm s PRO 120 Cb -0.14 -3.29 0.49 0.00 0.04 0.00 0.00 34.50 31.61 3dxm s PRO 120 CO 0.28 -0.71 1.67 0.00 0.04 0.00 0.00 177.00 178.29 3dxm h ALA 121 N 7.38 1.04 -2.84 8.56 0.00 -1.93 -3.46 119.26 128.00 3dxm h ALA 121 Ca -0.43 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 3dxm h ALA 121 Cb 1.20 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 3dxm h ALA 121 CO 0.93 0.65 -0.35 0.54 0.00 0.00 0.00 179.25 181.02 3dxm s ASN 122 N -6.75 0.85 0.36 0.00 2.20 -1.26 -5.05 114.94 105.29 3dxm s ASN 122 Ca -0.01 -1.48 0.06 0.00 -0.94 0.00 0.00 52.86 50.49 3dxm s ASN 122 Cb 0.12 0.57 0.68 0.00 -2.00 0.00 0.00 41.25 40.62 3dxm s ASN 122 CO 0.74 -1.12 1.92 0.50 -2.94 0.00 0.00 177.10 176.20 3dxm h LYS 123 N 2.24 0.48 0.54 3.55 1.63 -1.99 -0.38 116.57 122.65 3dxm h LYS 123 Ca -0.29 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.40 3dxm h LYS 123 Cb 1.24 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 3dxm h LYS 123 CO 0.41 0.49 -0.26 0.37 -3.45 0.00 0.00 179.45 177.00 3dxm h GLN 124 N 0.47 -0.70 -1.00 1.90 4.15 -1.99 -1.60 115.11 116.33 3dxm h GLN 124 Ca 0.11 0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.83 3dxm h GLN 124 Cb 0.25 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 28.03 3dxm h GLN 124 CO 0.00 -0.41 0.66 1.49 -1.93 0.00 0.00 178.83 178.64 3dxm h GLU 125 N -1.10 0.35 0.48 1.69 4.81 -1.95 0.66 114.58 119.52 3dxm h GLU 125 Ca -0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3dxm h GLU 125 Cb 0.62 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3dxm h GLU 125 CO 0.12 0.23 -0.23 0.22 -0.73 0.00 0.00 179.01 178.62 3dxm h ASP 126 N 0.36 -0.55 -0.62 1.04 3.58 -0.88 -1.50 116.42 117.84 3dxm h ASP 126 Ca 0.54 0.02 0.10 0.00 0.42 0.00 0.00 57.03 58.11 3dxm h ASP 126 Cb 1.45 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.61 3dxm h ASP 126 CO -0.22 -0.36 0.42 -0.33 -2.88 0.00 0.00 179.24 175.87 3dxm h GLU 127 N -0.73 0.44 -0.34 0.28 5.08 -0.33 0.16 114.58 119.14 3dxm h GLU 127 Ca -0.07 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 3dxm h GLU 127 Cb 0.50 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dxm h GLU 127 CO 0.11 0.29 -0.36 0.28 -1.00 0.00 0.00 179.01 178.33 3dxm h VAL 128 N 0.45 1.28 -0.54 3.13 2.07 -0.89 -1.34 116.25 120.41 3dxm h VAL 128 Ca 0.29 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 3dxm h VAL 128 Cb 0.52 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3dxm h VAL 128 CO -0.08 0.51 -0.11 -0.03 0.02 0.00 0.00 177.57 177.87 3dxm h MET 129 N 0.64 1.02 -0.18 1.57 1.85 -0.41 -0.85 114.93 118.57 3dxm h MET 129 Ca 0.05 -0.38 -0.03 0.00 -0.61 0.00 0.00 59.70 58.74 3dxm h MET 129 Cb 0.95 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.91 3dxm h MET 129 CO 0.09 1.07 -0.00 0.00 -0.40 0.00 0.00 176.91 177.66 3dxm h ARG 130 N 0.91 0.26 -0.00 0.39 3.08 -0.87 -1.04 114.38 117.11 3dxm h ARG 130 Ca 0.14 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 3dxm h ARG 130 Cb 0.68 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.70 3dxm h ARG 130 CO 0.05 0.29 -0.57 0.00 -1.07 0.00 0.00 179.97 178.67 3dxm h ALA 131 N 1.74 0.07 -0.03 0.04 0.00 -0.77 -2.82 119.26 117.49 3dxm h ALA 131 Ca 0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dxm h ALA 131 Cb 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dxm h ALA 131 CO 0.00 0.33 0.02 -0.92 0.00 0.00 0.00 179.25 178.68 3dxm h TYR 132 N -0.14 0.04 -0.89 0.00 3.20 -0.89 -0.63 116.97 117.66 3dxm h TYR 132 Ca -0.07 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.89 3dxm h TYR 132 Cb 1.29 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 3dxm h TYR 132 CO 0.15 0.06 0.54 -0.07 -1.64 0.00 0.00 178.16 177.20 3dxm h LEU 133 N 0.01 0.82 -0.47 2.82 4.07 -1.29 0.69 115.31 121.95 3dxm h LEU 133 Ca 0.01 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 3dxm h LEU 133 Cb 0.03 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3dxm h LEU 133 CO -0.00 0.48 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.06 3dxm h GLN 134 N 0.93 0.95 -0.31 1.13 4.15 -1.21 -0.46 115.11 120.28 3dxm h GLN 134 Ca 0.41 -0.39 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3dxm h GLN 134 Cb 0.31 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3dxm h GLN 134 CO -0.22 1.06 -0.03 0.37 -1.93 0.00 0.00 178.83 178.08 3dxm h GLN 135 N 0.79 0.49 -0.18 1.69 4.15 -0.18 0.21 115.11 122.08 3dxm h GLN 135 Ca 0.11 -0.11 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 3dxm h GLN 135 Cb 0.74 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3dxm h GLN 135 CO 0.06 0.54 -0.42 -0.07 -1.93 0.00 0.00 178.83 177.01 3dxm h LEU 136 N 0.47 0.68 -0.07 -2.39 3.38 -0.65 -2.66 115.31 114.07 3dxm h LEU 136 Ca 0.10 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.51 3dxm h LEU 136 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dxm h LEU 136 CO 0.01 1.12 0.01 0.03 0.09 0.00 0.00 178.44 179.71 3dxm h ARG 137 N 0.26 0.04 0.03 1.13 3.08 -0.61 -0.24 114.38 118.08 3dxm h ARG 137 Ca -0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3dxm h ARG 137 Cb 1.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 3dxm h ARG 137 CO 0.09 0.03 -0.11 1.96 -1.07 0.00 0.00 179.97 180.87 3dxm h GLN 138 N 0.05 -0.20 -0.59 0.04 4.20 -1.00 0.32 115.11 117.92 3dxm h GLN 138 Ca 0.03 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3dxm h GLN 138 Cb 0.02 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3dxm h GLN 138 CO -0.04 -0.14 0.04 1.49 -0.67 0.00 0.00 178.83 179.52 3dxm h GLU 139 N -0.21 0.98 -0.27 1.46 4.57 -1.41 -2.48 114.58 117.22 3dxm h GLU 139 Ca 0.03 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3dxm h GLU 139 Cb 0.25 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3dxm h GLU 139 CO -0.09 0.94 0.12 1.15 -1.18 0.00 0.00 179.01 179.95 3dxm h THR 140 N 0.91 1.16 0.14 0.32 2.02 -0.81 -2.12 112.91 114.54 3dxm h THR 140 Ca 0.18 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3dxm h THR 140 Cb 0.47 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3dxm h THR 140 CO 0.02 0.17 -0.14 1.23 0.37 0.00 0.00 175.52 177.17 3dxm h GLY 141 N 0.29 -0.29 1.52 2.16 0.00 -0.76 -0.33 103.07 105.65 3dxm h GLY 141 Ca 0.09 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.47 3dxm h GLY 141 CO -0.01 -0.14 -0.28 0.17 0.00 0.00 0.00 176.54 176.29 3dxm h LEU 142 N -0.30 0.56 -1.06 3.11 -0.00 -1.48 -2.71 115.31 113.43 3dxm h LEU 142 Ca 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 57.88 57.58 3dxm h LEU 142 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 3dxm h LEU 142 CO -0.03 0.82 -0.42 -0.09 -0.00 0.00 0.00 178.44 178.72 3dxm h ARG 143 N 0.48 0.10 -0.01 0.17 2.43 -1.25 -2.90 114.38 113.40 3dxm h ARG 143 Ca 0.06 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3dxm h ARG 143 Cb 0.73 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3dxm h ARG 143 CO 0.06 0.50 -0.51 1.25 -1.51 0.00 0.00 179.97 179.76 3dxm h LEU 144 N 0.08 0.04 -0.92 3.80 6.46 -0.74 -3.24 115.31 120.80 3dxm h LEU 144 Ca 0.01 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3dxm h LEU 144 Cb 0.78 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 3dxm h LEU 144 CO 0.06 0.54 0.47 0.00 -0.62 0.00 0.00 178.44 178.89 3dxm n GLU 146 N -4.32 0.21 -0.13 0.00 0.00 -1.22 -2.71 120.64 112.46 3dxm n GLU 146 Ca 0.09 0.13 -0.27 0.00 0.00 0.00 0.00 57.16 57.11 3dxm n GLU 146 Cb 0.11 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.95 3dxm n GLU 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3dxm n LYS 147 N -1.32 0.58 -0.20 3.44 4.76 -0.67 -4.64 118.16 120.10 3dxm n LYS 147 Ca 0.08 0.23 -0.05 0.00 -2.87 0.00 0.00 58.31 55.70 3dxm n LYS 147 Cb 0.16 -1.47 0.12 0.00 -1.84 0.00 0.00 35.03 32.00 3dxm n LYS 147 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dxm h VAL 148 N -0.80 1.25 -3.11 -0.18 2.07 -1.12 -3.44 116.25 110.92 3dxm h VAL 148 Ca -0.66 -0.88 -0.60 0.00 0.82 0.00 0.00 66.70 65.37 3dxm h VAL 148 Cb 1.65 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3dxm h VAL 148 CO -0.36 0.34 -0.18 -0.36 0.02 0.00 0.00 177.57 177.03 3dxm s PHE 149 N -5.30 3.69 0.19 1.57 0.40 -1.10 -0.99 117.98 116.44 3dxm s PHE 149 Ca -0.11 0.99 -0.16 0.00 -0.60 0.00 0.00 56.93 57.06 3dxm s PHE 149 Cb 0.15 -2.36 -0.07 0.00 0.51 0.00 0.00 43.02 41.24 3dxm s PHE 149 CO 0.82 0.54 0.61 0.34 0.70 0.00 0.00 175.22 178.23 3dxm s ASP 150 N -0.71 6.87 0.01 1.36 2.15 -1.19 -4.89 116.67 120.27 3dxm s ASP 150 Ca 0.24 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.40 3dxm s ASP 150 Cb -0.17 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3dxm s ASP 150 CO 0.13 0.05 0.58 -2.65 -0.17 0.00 0.00 175.17 173.11 3dxm n PRO 151 N 0.63 0.00 -3.27 4.34 -0.02 -1.26 -3.49 135.00 131.93 3dxm n PRO 151 Ca -0.03 0.08 -0.44 0.00 -2.02 0.00 0.00 63.50 61.08 3dxm n PRO 151 Cb 0.52 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 3dxm n PRO 151 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dxm s GLN 152 N -2.16 3.03 0.90 -0.52 -1.52 -1.26 -5.05 119.66 113.09 3dxm s GLN 152 Ca -0.00 -1.25 -0.15 0.00 -1.95 0.00 0.00 55.36 52.01 3dxm s GLN 152 Cb 0.00 -4.16 -0.04 0.00 -0.22 0.00 0.00 33.01 28.58 3dxm s GLN 152 CO 0.00 -1.20 0.02 -1.71 -0.25 0.00 0.00 175.29 172.15 3dxm n ASN 153 N 5.66 -3.26 -3.35 5.90 2.85 -1.23 -3.66 115.26 118.17 3dxm n ASN 153 Ca -0.10 0.34 -0.17 0.00 -0.11 0.00 0.00 54.58 54.54 3dxm n ASN 153 Cb 0.44 -1.05 0.05 0.00 1.24 0.00 0.00 39.78 40.46 3dxm n ASN 153 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3dxm n ASP 154 N 0.56 -6.44 -2.99 1.20 -0.08 -1.26 -4.93 116.55 102.61 3dxm n ASP 154 Ca 0.05 -0.70 -0.16 0.00 -1.51 0.00 0.00 54.79 52.46 3dxm n ASP 154 Cb 0.53 -4.65 -0.01 0.00 2.34 0.00 0.00 41.12 39.34 3dxm n ASP 154 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3dxm n LYS 155 N -3.24 0.81 -1.99 -0.67 5.02 -1.24 -4.89 118.16 111.95 3dxm n LYS 155 Ca -0.07 -2.62 -0.26 0.00 -2.02 0.00 0.00 58.31 53.34 3dxm n LYS 155 Cb 0.60 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 3dxm n LYS 155 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dxm s PRO 156 N -0.62 2.30 -0.08 1.97 0.02 -1.26 -3.20 135.00 134.13 3dxm s PRO 156 Ca 0.33 -0.98 -0.12 0.00 0.02 0.00 0.00 61.00 60.25 3dxm s PRO 156 Cb 0.23 -5.19 -0.06 0.00 0.02 0.00 0.00 34.50 29.51 3dxm s PRO 156 CO -0.14 -4.17 0.38 0.45 -0.33 0.00 0.00 177.00 173.19 3dxm n SER 157 N 15.18 0.20 0.30 2.53 2.88 -0.16 -4.51 113.62 130.03 3dxm n SER 157 Ca 0.44 0.33 0.20 0.00 -1.33 0.00 0.00 58.87 58.51 3dxm n SER 157 Cb 0.47 -0.25 1.01 0.00 -0.75 0.00 0.00 64.21 64.69 3dxm n SER 157 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3dxm h LYS 158 N 1.16 0.00 0.00 -1.46 2.10 -1.89 0.95 116.57 117.42 3dxm h LYS 158 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 3dxm h LYS 158 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3dxm h LYS 158 CO 0.23 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.59 3dxm n TRP 159 N -2.94 0.00 0.00 0.07 7.02 -1.26 -1.49 117.44 118.84 3dxm n TRP 159 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 3dxm n TRP 159 Cb 0.12 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 3dxm n TRP 159 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3dxm n TRP 160 N -1.18 0.00 0.14 -5.99 7.02 0.14 -4.71 117.44 112.86 3dxm n TRP 160 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 3dxm n TRP 160 Cb 0.14 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.31 3dxm n TRP 160 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3dxm h THR 161 N 0.00 1.31 0.00 -0.99 2.02 -0.90 -3.08 112.91 111.28 3dxm h THR 161 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3dxm h THR 161 Cb 0.93 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 3dxm h THR 161 CO 0.00 0.44 0.01 0.00 0.37 0.00 0.00 175.52 176.34 3dxm n PHE 163 N -1.99 0.00 0.28 0.00 3.01 -1.16 -4.53 117.46 113.06 3dxm n PHE 163 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 3dxm n PHE 163 Cb 0.04 -0.02 0.11 0.00 -0.01 0.00 0.00 39.48 39.60 3dxm n PHE 163 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3dxm h VAL 164 N 1.81 0.00 0.00 -4.37 3.04 -1.15 -2.87 116.25 112.72 3dxm h VAL 164 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 3dxm h VAL 164 Cb 0.68 0.09 -0.29 0.00 -2.01 0.00 0.00 31.29 29.76 3dxm h VAL 164 CO 0.00 0.00 -0.90 2.29 -1.01 0.00 0.00 177.57 177.95 3dxm n LYS 165 N -2.32 0.09 -4.06 4.17 2.85 -1.26 -4.76 118.16 112.87 3dxm n LYS 165 Ca -0.00 -1.87 -0.23 0.00 -1.05 0.00 0.00 58.31 55.16 3dxm n LYS 165 Cb 0.83 -0.19 -0.04 0.00 -0.65 0.00 0.00 35.03 34.98 3dxm n LYS 165 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3dxm s ARG 166 N -0.18 3.09 -0.17 -1.58 0.52 -1.08 -5.09 118.95 114.44 3dxm s ARG 166 Ca 0.28 -0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3dxm s ARG 166 Cb 0.31 -2.69 0.04 0.00 0.52 0.00 0.00 34.95 33.14 3dxm s ARG 166 CO -0.13 0.43 -0.07 -0.65 0.02 0.00 0.00 175.30 174.90 3dxm s GLN 167 N -3.72 1.62 -0.12 3.54 -0.21 -1.26 -5.06 119.66 114.44 3dxm s GLN 167 Ca 0.33 -0.61 -0.40 0.00 0.02 0.00 0.00 55.36 54.70 3dxm s GLN 167 Cb -0.09 -2.13 -0.17 0.00 1.00 0.00 0.00 33.01 31.62 3dxm s GLN 167 CO 0.26 -0.43 1.46 0.34 -2.12 0.00 0.00 175.29 174.80 3dxm n PHE 168 N 4.82 1.57 -1.43 0.91 7.35 -1.25 0.21 117.46 129.64 3dxm n PHE 168 Ca -0.13 0.74 -0.15 0.00 -0.76 0.00 0.00 57.45 57.15 3dxm n PHE 168 Cb 0.47 -2.32 -0.07 0.00 0.35 0.00 0.00 39.48 37.92 3dxm n PHE 168 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3dxm n MET 169 N 3.45 -1.53 -2.48 -4.13 2.81 -0.72 -1.76 117.12 112.76 3dxm n MET 169 Ca 0.23 1.00 -0.20 0.00 -1.81 0.00 0.00 57.70 56.92 3dxm n MET 169 Cb 0.12 -5.34 -0.00 0.00 -0.71 0.00 0.00 33.22 27.28 3dxm n MET 169 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dxm n ASN 170 N -1.07 -5.70 -4.54 7.83 3.02 0.55 -4.93 115.26 110.42 3dxm n ASN 170 Ca -0.15 -0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.05 3dxm n ASN 170 Cb 0.59 -4.70 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 3dxm n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dxm s LYS 171 N -5.10 1.98 -0.04 3.52 -0.14 -0.72 -5.00 119.74 114.24 3dxm s LYS 171 Ca 0.05 -2.19 -0.23 0.00 -1.36 0.00 0.00 55.97 52.24 3dxm s LYS 171 Cb -0.02 -1.27 0.05 0.00 -1.68 0.00 0.00 37.83 34.91 3dxm s LYS 171 CO 0.06 -0.26 0.50 0.45 -0.76 0.00 0.00 175.35 175.34 3dxm s SER 172 N -3.71 -0.44 0.31 2.83 0.15 -1.26 -4.33 113.70 107.25 3dxm s SER 172 Ca 0.23 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.55 3dxm s SER 172 Cb 0.06 0.47 0.15 0.00 -1.71 0.00 0.00 66.02 64.98 3dxm s SER 172 CO 0.12 -0.51 1.32 -0.07 1.20 0.00 0.00 173.24 175.30 3dxm h LEU 173 N 3.52 0.00 -1.67 3.45 3.38 -1.89 -2.75 115.31 119.35 3dxm h LEU 173 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dxm h LEU 173 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dxm h LEU 173 CO 0.38 0.10 0.00 -1.20 0.09 0.00 0.00 178.44 177.81 3dxm n SER 174 N -2.94 2.45 0.00 -0.43 7.64 -1.26 -4.71 113.62 114.37 3dxm n SER 174 Ca 0.01 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.71 3dxm n SER 174 Cb 0.58 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3dxm n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64