#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxs s LYS 2 N 0.00 1.00 0.09 0.00 1.02 -1.26 -4.98 119.74 115.61 3cxs s LYS 2 Ca 0.00 -0.48 -0.36 0.00 0.02 0.00 0.00 55.97 55.15 3cxs s LYS 2 Cb 0.00 -0.97 -0.18 0.00 -0.52 0.00 0.00 37.83 36.17 3cxs s LYS 2 CO 0.00 0.26 1.09 -2.30 -0.92 0.00 0.00 175.35 173.48 3cxs n PRO 3 N 2.67 0.60 -0.42 -1.68 -0.02 -1.26 -4.97 135.00 129.93 3cxs n PRO 3 Ca -0.14 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3cxs n PRO 3 Cb 0.56 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3cxs n PRO 3 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cxs n ASP 4 N 1.94 0.00 -1.06 2.55 5.68 -1.26 -4.71 116.55 119.69 3cxs n ASP 4 Ca 0.18 -0.24 0.10 0.00 -0.50 0.00 0.00 54.79 54.33 3cxs n ASP 4 Cb 0.17 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.36 3cxs n ASP 4 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3cxs n GLU 5 N 0.00 2.42 -1.78 0.11 -0.58 -1.26 -1.03 120.64 118.52 3cxs n GLU 5 Ca 0.00 -2.22 -0.42 0.00 -0.42 0.00 0.00 57.16 54.10 3cxs n GLU 5 Cb 0.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3cxs n GLU 5 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3cxs s THR 6 N -1.31 2.97 0.90 2.62 2.01 -1.26 -4.89 115.64 116.69 3cxs s THR 6 Ca 0.36 0.21 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 3cxs s THR 6 Cb 0.21 -3.13 0.13 0.00 0.01 0.00 0.00 72.50 69.71 3cxs s THR 6 CO 0.28 -0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 173.16 3cxs s PRO 7 N 3.62 1.21 0.03 4.92 0.04 -1.26 -3.86 135.00 139.70 3cxs s PRO 7 Ca 0.82 0.42 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3cxs s PRO 7 Cb -0.42 -1.84 -0.26 0.00 0.04 0.00 0.00 34.50 32.03 3cxs s PRO 7 CO 0.37 -2.18 0.93 1.98 0.04 0.00 0.00 177.00 178.15 3cxs h MET 8 N -1.49 0.18 -4.88 4.56 4.05 -1.70 -3.48 114.93 112.18 3cxs h MET 8 Ca -0.50 -0.30 -0.45 0.00 -0.28 0.00 0.00 59.70 58.17 3cxs h MET 8 Cb 1.32 0.11 -0.13 0.00 -0.80 0.00 0.00 31.60 32.09 3cxs h MET 8 CO 0.60 1.03 -0.51 -0.59 0.23 0.00 0.00 176.91 177.67 3cxs s PHE 9 N -2.63 1.67 -0.29 1.39 -0.12 -1.26 -4.68 117.98 112.06 3cxs s PHE 9 Ca -0.06 -1.57 -0.29 0.00 -0.05 0.00 0.00 56.93 54.96 3cxs s PHE 9 Cb 0.08 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 3cxs s PHE 9 CO 0.85 -0.76 1.61 0.34 -0.05 0.00 0.00 175.22 177.21 3cxs s ASP 10 N -3.37 6.26 0.33 1.98 -1.08 -1.26 -4.86 116.67 114.66 3cxs s ASP 10 Ca 0.38 1.37 0.07 0.00 -0.52 0.00 0.00 52.55 53.86 3cxs s ASP 10 Cb 0.03 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.73 3cxs s ASP 10 CO 0.24 -1.40 1.81 -0.65 0.52 0.00 0.00 175.17 175.69 3cxs h PRO 11 N 11.22 0.72 -0.54 4.34 0.11 -1.99 -1.07 132.00 144.80 3cxs h PRO 11 Ca -0.32 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.90 3cxs h PRO 11 Cb 1.15 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3cxs h PRO 11 CO 1.03 0.48 0.46 0.66 -0.21 0.00 0.00 178.00 180.41 3cxs h SER 12 N 0.74 0.00 -0.15 -2.05 4.64 -1.99 -0.02 113.55 114.72 3cxs h SER 12 Ca 0.53 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.86 3cxs h SER 12 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3cxs h SER 12 CO -0.30 0.00 0.10 -0.07 -0.87 0.00 0.00 176.83 175.69 3cxs h LEU 13 N 0.00 0.13 -0.00 5.97 3.38 -1.58 0.59 115.31 123.79 3cxs h LEU 13 Ca 0.26 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 3cxs h LEU 13 Cb 1.18 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.91 3cxs h LEU 13 CO -0.00 0.09 -1.11 -0.07 0.09 0.00 0.00 178.44 177.43 3cxs h LEU 14 N 0.15 0.67 -0.12 1.67 3.38 -1.17 -3.26 115.31 116.62 3cxs h LEU 14 Ca 0.06 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3cxs h LEU 14 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3cxs h LEU 14 CO -0.01 1.41 0.00 0.11 0.09 0.00 0.00 178.44 180.04 3cxs h LYS 15 N 0.24 0.00 0.00 1.13 1.57 -1.41 -3.22 116.57 114.87 3cxs h LYS 15 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3cxs h LYS 15 Cb 1.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.09 3cxs h LYS 15 CO 0.20 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.57 3cxs h GLU 16 N 0.00 0.00 -7.16 3.15 4.57 0.11 -3.48 114.58 111.77 3cxs h GLU 16 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 3cxs h GLU 16 Cb 0.76 0.00 0.13 0.00 -0.16 0.00 0.00 28.75 29.48 3cxs h GLU 16 CO 0.00 0.00 0.40 0.14 -1.18 0.00 0.00 179.01 178.37 3cxs s VAL 17 N -3.25 2.63 -1.15 0.32 -7.23 -1.22 -4.90 120.40 105.61 3cxs s VAL 17 Ca 0.07 0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 60.35 3cxs s VAL 17 Cb 0.08 -2.92 0.04 0.00 0.56 0.00 0.00 36.38 34.15 3cxs s VAL 17 CO 0.61 -0.15 1.64 -0.62 -0.31 0.00 0.00 175.10 176.27 3cxs s ASP 18 N -2.08 6.46 0.26 4.85 -1.08 -1.26 -4.79 116.67 119.04 3cxs s ASP 18 Ca 0.73 -1.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.15 3cxs s ASP 18 Cb -0.27 -2.58 0.95 0.00 -1.46 0.00 0.00 42.92 39.56 3cxs s ASP 18 CO 0.41 -1.55 1.74 -0.25 0.52 0.00 0.00 175.17 176.05 3cxs h TRP 19 N 8.91 0.00 0.00 -5.34 2.91 -1.95 -1.52 115.95 118.96 3cxs h TRP 19 Ca 0.30 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.29 3cxs h TRP 19 Cb 0.94 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.59 3cxs h TRP 19 CO 1.34 0.00 -0.16 0.77 -1.03 0.00 0.00 178.44 179.36 3cxs h SER 20 N 0.00 0.00 -0.10 2.65 0.02 -2.02 -2.60 113.55 111.50 3cxs h SER 20 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3cxs h SER 20 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3cxs h SER 20 CO 0.00 0.16 0.00 0.00 -1.14 0.00 0.00 176.83 175.85 3cxs n GLN 21 N -4.29 1.27 -1.87 3.45 6.02 -0.57 -4.91 117.38 116.48 3cxs n GLN 21 Ca -0.02 -0.36 -0.41 0.00 -0.01 0.00 0.00 57.00 56.19 3cxs n GLN 21 Cb 0.23 -1.15 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 3cxs n GLN 21 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3cxs s ASN 22 N -0.88 6.46 -0.10 1.08 2.47 -0.98 -4.95 114.94 118.05 3cxs s ASN 22 Ca 0.07 2.90 0.20 0.00 0.42 0.00 0.00 52.86 56.45 3cxs s ASN 22 Cb 0.04 -2.65 -0.29 0.00 -1.45 0.00 0.00 41.25 36.90 3cxs s ASN 22 CO 0.04 -0.81 0.33 0.41 -3.72 0.00 0.00 177.10 173.34 3cxs n THR 23 N 1.46 0.61 -1.90 -5.21 -1.04 -1.26 -5.03 114.28 101.91 3cxs n THR 23 Ca 0.04 -0.65 -0.30 0.00 -2.04 0.00 0.00 64.05 61.10 3cxs n THR 23 Cb 0.39 -0.21 0.02 0.00 -1.82 0.00 0.00 70.33 68.71 3cxs n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cxs s ALA 24 N -3.08 3.03 -0.18 2.41 0.00 -1.22 -4.88 121.76 117.84 3cxs s ALA 24 Ca -0.09 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 3cxs s ALA 24 Cb 0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 3cxs s ALA 24 CO 0.87 -0.86 0.16 0.99 0.00 0.00 0.00 175.76 176.92 3cxs s THR 25 N -3.24 5.40 -0.14 0.00 2.01 -1.26 -5.09 115.64 113.32 3cxs s THR 25 Ca 0.56 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 3cxs s THR 25 Cb -0.11 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.95 3cxs s THR 25 CO 0.53 0.45 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.53 3cxs s PHE 26 N 0.20 1.26 -0.21 4.92 0.40 -1.26 -5.09 117.98 118.20 3cxs s PHE 26 Ca 0.10 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 3cxs s PHE 26 Cb -0.11 -1.11 0.07 0.00 0.51 0.00 0.00 43.02 42.38 3cxs s PHE 26 CO -0.00 -0.53 0.07 0.45 0.70 0.00 0.00 175.22 175.91 3cxs s SER 27 N 1.78 2.89 0.61 1.36 0.15 -1.26 -2.47 113.70 116.76 3cxs s SER 27 Ca 0.02 -0.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.67 3cxs s SER 27 Cb -0.14 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3cxs s SER 27 CO -0.07 -0.35 1.03 -2.16 1.20 0.00 0.00 173.24 172.89 3cxs s PRO 28 N 1.96 3.50 -0.10 5.44 0.05 -1.26 -5.08 135.00 139.52 3cxs s PRO 28 Ca 0.02 0.88 -0.29 0.00 0.05 0.00 0.00 61.00 61.65 3cxs s PRO 28 Cb -0.17 -2.07 -0.06 0.00 0.05 0.00 0.00 34.50 32.26 3cxs s PRO 28 CO -0.13 -0.65 1.91 0.00 0.05 0.00 0.00 177.00 178.18 3cxs s ALA 29 N -2.98 3.30 0.45 8.56 0.00 -1.03 -5.01 121.76 125.05 3cxs s ALA 29 Ca 0.57 0.95 0.04 0.00 0.00 0.00 0.00 51.96 53.52 3cxs s ALA 29 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 3cxs s ALA 29 CO 0.48 -1.94 0.02 0.96 0.00 0.00 0.00 175.76 175.28 3cxs s ILE 30 N 5.53 1.44 0.20 0.00 -4.36 -1.26 -5.07 121.20 117.69 3cxs s ILE 30 Ca 0.86 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.13 3cxs s ILE 30 Cb -0.35 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 40.79 3cxs s ILE 30 CO 0.36 0.00 0.39 -0.94 0.24 0.00 0.00 174.94 174.98 3cxs s SER 31 N -3.75 -0.05 0.17 4.36 1.04 -0.51 -5.00 113.70 109.96 3cxs s SER 31 Ca 0.22 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.60 3cxs s SER 31 Cb 0.06 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.78 3cxs s SER 31 CO 0.11 -1.01 1.65 -0.65 0.98 0.00 0.00 173.24 174.32 3cxs h PRO 32 N 2.38 -0.09 0.60 4.02 0.11 -1.93 -2.28 132.00 134.82 3cxs h PRO 32 Ca -0.29 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3cxs h PRO 32 Cb 1.24 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3cxs h PRO 32 CO 0.42 -0.06 -0.45 1.15 -0.21 0.00 0.00 178.00 178.85 3cxs h THR 33 N -0.09 0.10 -3.47 -1.15 2.02 -1.92 -3.38 112.91 105.02 3cxs h THR 33 Ca 0.19 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.69 3cxs h THR 33 Cb 0.38 0.10 -0.37 0.00 -1.74 0.00 0.00 68.15 66.52 3cxs h THR 33 CO -0.44 0.00 -0.38 -1.00 0.37 0.00 0.00 175.52 174.07 3cxs s HIS 34 N -5.95 3.44 -1.44 3.16 3.76 -1.18 -4.83 115.29 112.25 3cxs s HIS 34 Ca -0.18 -2.88 0.28 0.00 -0.15 0.00 0.00 55.06 52.14 3cxs s HIS 34 Cb 0.04 -3.11 1.12 0.00 1.11 0.00 0.00 32.58 31.74 3cxs s HIS 34 CO 0.61 -0.79 1.81 -0.35 -0.85 0.00 0.00 174.74 175.17 3cxs n PRO 35 N 3.15 0.47 0.00 8.40 -0.05 -0.86 -1.42 135.00 144.69 3cxs n PRO 35 Ca 0.10 -0.16 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 3cxs n PRO 35 Cb 0.37 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.32 3cxs n PRO 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3cxs n GLY 36 N 1.35 4.21 3.66 0.55 0.00 -1.26 -4.82 105.19 108.88 3cxs n GLY 36 Ca 0.12 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3cxs n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxs s GLU 37 N -2.84 4.18 0.00 1.61 0.41 -1.26 -1.72 118.70 119.07 3cxs s GLU 37 Ca 0.00 2.01 0.00 0.00 -0.41 0.00 0.00 54.97 56.57 3cxs s GLU 37 Cb 0.00 -3.93 0.00 0.00 -1.78 0.00 0.00 34.13 28.42 3cxs s GLU 37 CO 0.00 -0.83 0.00 0.41 -0.49 0.00 0.00 175.26 174.35 3cxs n GLY 38 N 4.01 1.10 3.90 -1.39 0.00 -1.26 -5.02 105.19 106.53 3cxs n GLY 38 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3cxs n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cxs s LEU 39 N 0.00 4.29 -0.11 0.99 1.43 -0.70 0.68 118.68 125.26 3cxs s LEU 39 Ca 0.00 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3cxs s LEU 39 Cb 0.00 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 43.06 3cxs s LEU 39 CO 0.00 0.10 -0.11 -0.69 0.23 0.00 0.00 176.35 175.88 3cxs s VAL 40 N -1.58 1.19 -0.31 -1.59 1.01 0.79 -4.68 120.40 115.22 3cxs s VAL 40 Ca 0.38 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3cxs s VAL 40 Cb -0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3cxs s VAL 40 CO 0.24 0.39 0.37 -0.22 0.00 0.00 0.00 175.10 175.87 3cxs s LEU 41 N 1.35 4.26 0.36 3.92 0.20 -1.26 -1.36 118.68 126.15 3cxs s LEU 41 Ca -0.01 -0.01 -0.10 0.00 0.69 0.00 0.00 54.13 54.70 3cxs s LEU 41 Cb -0.14 -2.38 0.03 0.00 -0.43 0.00 0.00 46.19 43.27 3cxs s LEU 41 CO -0.05 -0.28 0.64 0.00 -0.29 0.00 0.00 176.35 176.36 3cxs s ARG 42 N 2.06 2.04 0.74 1.98 1.70 -0.94 -4.94 118.95 121.60 3cxs s ARG 42 Ca 0.13 -1.55 -0.11 0.00 -0.47 0.00 0.00 55.73 53.74 3cxs s ARG 42 Cb -0.16 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3cxs s ARG 42 CO 0.11 -0.91 1.07 -2.14 -1.08 0.00 0.00 175.30 172.36 3cxs s PRO 43 N -2.79 2.57 0.17 3.89 0.02 -1.26 -1.56 135.00 136.04 3cxs s PRO 43 Ca 0.22 1.00 -0.30 0.00 0.02 0.00 0.00 61.00 61.94 3cxs s PRO 43 Cb -0.03 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3cxs s PRO 43 CO 0.15 -1.38 1.11 -1.17 -0.33 0.00 0.00 177.00 175.39 3cxs s LEU 44 N -5.72 4.48 0.28 -5.54 2.96 -0.52 -4.69 118.68 109.92 3cxs s LEU 44 Ca 0.60 2.10 0.10 0.00 -0.22 0.00 0.00 54.13 56.71 3cxs s LEU 44 Cb -0.15 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 3cxs s LEU 44 CO 0.55 -0.25 -0.07 0.00 -1.32 0.00 0.00 176.35 175.27 3cxs h THR 46 N 2.00 0.00 0.00 0.00 1.35 -1.66 -2.45 112.91 112.15 3cxs h THR 46 Ca -0.43 -0.28 -0.10 0.00 -0.55 0.00 0.00 66.41 65.05 3cxs h THR 46 Cb 1.25 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3cxs h THR 46 CO 0.61 0.00 -0.47 0.00 -0.25 0.00 0.00 175.52 175.41 3cxs h ALA 47 N 2.06 0.97 -0.45 6.62 0.00 -1.36 -3.04 119.26 124.05 3cxs h ALA 47 Ca 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.61 3cxs h ALA 47 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3cxs h ALA 47 CO 0.00 0.59 0.70 -0.44 0.00 0.00 0.00 179.25 180.10 3cxs h ASP 48 N 0.00 0.00 -0.93 0.00 3.32 -1.70 -1.51 116.42 115.60 3cxs h ASP 48 Ca -0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.17 3cxs h ASP 48 Cb 0.99 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 3cxs h ASP 48 CO 0.06 0.00 -0.41 -0.11 -1.72 0.00 0.00 179.24 177.06 3cxs n LEU 49 N -3.27 -0.71 0.23 1.55 7.94 -1.15 -0.55 117.00 121.04 3cxs n LEU 49 Ca 0.09 1.63 0.06 0.00 -1.11 0.00 0.00 56.01 56.68 3cxs n LEU 49 Cb 0.87 -0.33 0.53 0.00 0.53 0.00 0.00 43.42 45.02 3cxs n LEU 49 CO 0.20 -1.42 0.92 0.78 -1.11 0.00 0.00 177.39 176.76 3cxs h ASN 50 N 0.00 0.00 -0.62 1.96 2.35 -1.55 -3.37 115.58 114.36 3cxs h ASN 50 Ca 0.27 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.67 3cxs h ASN 50 Cb 0.51 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.69 3cxs h ASN 50 CO -0.91 0.17 0.45 0.54 -1.65 0.00 0.00 177.43 176.03 3cxs n ARG 51 N -4.27 1.85 -1.00 0.81 1.74 0.29 -4.84 116.66 111.24 3cxs n ARG 51 Ca -0.02 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 3cxs n ARG 51 Cb 0.23 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3cxs n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cxs n GLY 52 N -0.37 0.58 0.24 -0.13 0.00 -1.25 -1.17 105.19 103.09 3cxs n GLY 52 Ca 0.38 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.41 3cxs n GLY 52 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cxs h PHE 53 N 0.00 0.34 -0.01 1.61 3.57 -1.78 0.17 116.94 120.84 3cxs h PHE 53 Ca 0.00 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 3cxs h PHE 53 Cb 0.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3cxs h PHE 53 CO 0.02 0.04 -0.75 0.74 -2.23 0.00 0.00 178.31 176.14 3cxs h PHE 54 N 0.35 0.13 -0.88 0.41 0.04 -1.87 -1.88 116.94 113.25 3cxs h PHE 54 Ca 0.33 -0.06 0.18 0.00 2.80 0.00 0.00 57.97 61.22 3cxs h PHE 54 Cb 0.46 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.48 3cxs h PHE 54 CO -0.20 0.80 0.42 0.87 -0.60 0.00 0.00 178.31 179.61 3cxs h LYS 55 N 0.06 0.50 0.09 1.51 6.56 -1.15 0.31 116.57 124.45 3cxs h LYS 55 Ca -0.02 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.33 3cxs h LYS 55 Cb 1.32 -0.11 0.02 0.00 -0.57 0.00 0.00 32.23 32.88 3cxs h LYS 55 CO 0.11 0.33 -0.90 0.28 -2.06 0.00 0.00 179.45 177.21 3cxs h VAL 56 N 0.52 1.41 -0.93 0.50 2.07 -0.90 -3.22 116.25 115.69 3cxs h VAL 56 Ca 0.51 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 65.72 3cxs h VAL 56 Cb 0.86 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 33.42 3cxs h VAL 56 CO -0.44 0.69 0.60 -0.07 0.02 0.00 0.00 177.57 178.37 3cxs h LEU 57 N -0.07 0.97 -2.16 2.57 3.38 -0.95 -2.70 115.31 116.35 3cxs h LEU 57 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3cxs h LEU 57 Cb 1.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3cxs h LEU 57 CO 0.17 0.64 0.00 1.23 0.09 0.00 0.00 178.44 180.57 3cxs h GLY 58 N 1.11 0.00 1.03 0.83 0.00 -0.40 -1.54 103.07 104.10 3cxs h GLY 58 Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.55 3cxs h GLY 58 CO -0.15 0.00 -0.54 1.46 0.00 0.00 0.00 176.54 177.31 3cxs h GLN 59 N 0.00 0.72 -0.09 4.80 4.20 -1.56 -3.35 115.11 119.83 3cxs h GLN 59 Ca 0.00 -0.50 -0.21 0.00 0.06 0.00 0.00 58.65 58.00 3cxs h GLN 59 Cb 0.01 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3cxs h GLN 59 CO 0.00 1.12 -0.79 1.25 -0.67 0.00 0.00 178.83 179.74 3cxs h LEU 60 N 0.43 0.70 -7.15 1.46 6.46 -1.42 -3.49 115.31 112.31 3cxs h LEU 60 Ca -0.01 -0.48 0.31 0.00 -0.12 0.00 0.00 57.88 57.58 3cxs h LEU 60 Cb 1.15 -0.21 -0.14 0.00 -0.73 0.00 0.00 40.66 40.73 3cxs h LEU 60 CO 0.12 1.25 0.84 0.28 -0.62 0.00 0.00 178.44 180.30 3cxs s THR 61 N -3.61 0.00 -0.01 1.05 -1.32 -1.15 -5.14 115.64 105.46 3cxs s THR 61 Ca -0.08 -0.15 -0.38 0.00 -1.21 0.00 0.00 61.69 59.88 3cxs s THR 61 Cb 0.09 -1.69 -0.17 0.00 -1.51 0.00 0.00 72.50 69.22 3cxs s THR 61 CO 0.87 0.00 1.41 -0.62 -2.21 0.00 0.00 174.62 174.07 3cxs n GLU 62 N -0.37 1.01 -4.00 7.08 -0.58 -1.26 -4.15 120.64 118.38 3cxs n GLU 62 Ca -0.06 0.37 -0.30 0.00 -0.42 0.00 0.00 57.16 56.75 3cxs n GLU 62 Cb 0.61 -2.00 -0.16 0.00 -0.57 0.00 0.00 31.44 29.32 3cxs n GLU 62 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3cxs s THR 63 N 1.16 1.62 0.00 2.62 -4.23 -1.26 -4.96 115.64 110.59 3cxs s THR 63 Ca 0.89 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3cxs s THR 63 Cb -1.02 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3cxs s THR 63 CO 0.53 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 3cxs n GLY 64 N 4.72 -0.34 3.54 3.99 0.00 -1.26 -4.93 105.19 110.91 3cxs n GLY 64 Ca -0.15 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3cxs n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cxs s VAL 65 N 0.00 4.77 -0.29 1.61 -7.23 -1.26 -5.03 120.40 112.97 3cxs s VAL 65 Ca 0.00 0.35 -0.10 0.00 -1.81 0.00 0.00 61.98 60.42 3cxs s VAL 65 Cb 0.00 -4.23 -0.03 0.00 0.56 0.00 0.00 36.38 32.68 3cxs s VAL 65 CO 0.00 -0.59 0.16 -0.69 -0.31 0.00 0.00 175.10 173.67 3cxs s VAL 66 N 2.99 4.86 0.59 1.32 1.01 -1.26 -5.09 120.40 124.81 3cxs s VAL 66 Ca 0.26 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3cxs s VAL 66 Cb -0.13 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3cxs s VAL 66 CO 0.20 0.17 1.00 -0.94 0.00 0.00 0.00 175.10 175.53 3cxs s SER 67 N 1.68 6.31 0.09 3.32 1.04 -1.26 -4.99 113.70 119.88 3cxs s SER 67 Ca 0.06 1.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.71 3cxs s SER 67 Cb -0.16 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 3cxs s SER 67 CO 0.08 -0.79 1.50 -0.65 0.98 0.00 0.00 173.24 174.36 3cxs h PRO 68 N -0.03 0.52 -0.76 4.02 0.11 -1.99 -2.86 132.00 131.01 3cxs h PRO 68 Ca -0.45 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3cxs h PRO 68 Cb 1.19 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3cxs h PRO 68 CO 0.62 0.71 0.47 1.05 -0.21 0.00 0.00 178.00 180.64 3cxs h GLU 69 N 0.29 1.01 -0.12 1.05 9.09 -1.94 -1.81 114.58 122.14 3cxs h GLU 69 Ca 0.07 -0.08 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 3cxs h GLU 69 Cb 0.50 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 3cxs h GLU 69 CO 0.02 0.69 -0.53 1.96 0.05 0.00 0.00 179.01 181.20 3cxs h GLN 70 N 1.03 0.34 -0.23 1.06 4.20 -1.96 -1.33 115.11 118.23 3cxs h GLN 70 Ca 0.27 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 3cxs h GLN 70 Cb -0.07 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3cxs h GLN 70 CO -0.05 0.79 -0.54 0.35 -0.67 0.00 0.00 178.83 178.71 3cxs h PHE 71 N 0.26 0.86 0.01 2.96 3.57 -1.25 -1.80 116.94 121.56 3cxs h PHE 71 Ca 0.01 -0.30 -0.20 0.00 3.53 0.00 0.00 57.97 61.01 3cxs h PHE 71 Cb 1.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3cxs h PHE 71 CO 0.03 1.07 -0.91 0.52 -2.23 0.00 0.00 178.31 176.79 3cxs h MET 72 N 0.53 0.12 0.07 1.11 0.00 -1.30 -1.54 114.93 113.93 3cxs h MET 72 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 59.70 59.56 3cxs h MET 72 Cb 1.11 0.05 0.00 0.00 0.00 0.00 0.00 31.60 32.75 3cxs h MET 72 CO 0.11 0.94 -0.03 -0.22 0.00 0.00 0.00 176.91 177.71 3cxs h LYS 73 N 0.06 -0.09 0.22 1.72 3.64 -1.25 0.16 116.57 121.04 3cxs h LYS 73 Ca -0.04 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3cxs h LYS 73 Cb 1.56 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 3cxs h LYS 73 CO 0.13 0.14 -0.31 0.77 -2.27 0.00 0.00 179.45 177.91 3cxs h SER 74 N -0.31 -0.85 -0.77 4.20 0.02 -1.36 -2.31 113.55 112.17 3cxs h SER 74 Ca -0.01 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.17 3cxs h SER 74 Cb 0.27 0.30 -0.09 0.00 0.14 0.00 0.00 62.40 63.02 3cxs h SER 74 CO 0.02 -0.42 0.34 0.15 -1.14 0.00 0.00 176.83 175.77 3cxs h PHE 75 N -0.59 0.58 -0.36 3.45 3.57 -1.27 -1.77 116.94 120.55 3cxs h PHE 75 Ca 0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3cxs h PHE 75 Cb 0.57 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3cxs h PHE 75 CO -0.23 0.10 0.10 1.49 -2.23 0.00 0.00 178.31 177.55 3cxs h GLU 76 N 0.49 0.56 0.00 1.11 4.57 -0.35 0.11 114.58 121.07 3cxs h GLU 76 Ca 0.42 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.40 3cxs h GLU 76 Cb 0.62 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3cxs h GLU 76 CO -0.39 0.59 -0.36 1.25 -1.18 0.00 0.00 179.01 178.93 3cxs h HIS 77 N 0.42 0.00 -0.23 0.92 -0.00 -1.22 0.15 115.15 115.19 3cxs h HIS 77 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.28 3cxs h HIS 77 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 3cxs h HIS 77 CO 0.01 0.36 -0.64 0.52 -0.00 0.00 0.00 177.93 178.17 3cxs h MET 78 N 0.00 0.83 -0.28 5.26 2.07 -0.82 -2.59 114.93 119.40 3cxs h MET 78 Ca -0.00 -0.58 -0.06 0.00 -2.07 0.00 0.00 59.70 56.98 3cxs h MET 78 Cb 0.81 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.63 3cxs h MET 78 CO 0.05 1.21 -0.07 -0.22 1.07 0.00 0.00 176.91 178.94 3cxs h LYS 79 N 0.61 0.54 -0.48 1.72 3.64 -0.54 -3.27 116.57 118.79 3cxs h LYS 79 Ca -0.01 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3cxs h LYS 79 Cb 1.26 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 3cxs h LYS 79 CO 0.14 0.75 0.18 -0.22 -2.27 0.00 0.00 179.45 178.03 3cxs h LYS 80 N 0.29 0.35 -0.55 1.90 3.64 -0.71 -2.74 116.57 118.76 3cxs h LYS 80 Ca 0.07 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3cxs h LYS 80 Cb 0.55 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3cxs h LYS 80 CO 0.03 0.23 0.36 0.66 -2.27 0.00 0.00 179.45 178.47 3cxs h SER 81 N 0.36 0.59 0.00 4.20 4.64 -1.51 -3.46 113.55 118.37 3cxs h SER 81 Ca 0.23 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3cxs h SER 81 Cb 0.22 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3cxs h SER 81 CO -0.22 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3cxs n GLY 82 N -1.46 1.78 0.04 -0.77 0.00 -1.04 -4.88 105.19 98.87 3cxs n GLY 82 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3cxs n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxs n ASP 83 N 0.00 0.84 -4.68 1.61 8.00 -1.26 -4.91 116.55 116.15 3cxs n ASP 83 Ca 0.00 -0.69 -0.35 0.00 0.71 0.00 0.00 54.79 54.47 3cxs n ASP 83 Cb 0.00 0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 3cxs n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3cxs s TYR 84 N -2.94 3.15 -0.43 1.24 2.02 -1.26 -0.63 117.35 118.50 3cxs s TYR 84 Ca 0.11 0.18 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 3cxs s TYR 84 Cb 0.17 -1.78 0.20 0.00 -0.40 0.00 0.00 41.96 40.15 3cxs s TYR 84 CO 0.75 0.46 0.44 0.66 -1.57 0.00 0.00 175.55 176.30 3cxs n TYR 85 N 2.11 -0.21 -2.74 2.71 4.01 0.81 -4.80 117.16 119.06 3cxs n TYR 85 Ca -0.18 -3.51 -0.43 0.00 -0.16 0.00 0.00 57.90 53.62 3cxs n TYR 85 Cb 0.54 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 3cxs n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3cxs s VAL 86 N -0.63 4.74 -0.11 -0.72 1.01 -1.26 -1.19 120.40 122.24 3cxs s VAL 86 Ca 0.34 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.22 3cxs s VAL 86 Cb 0.09 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3cxs s VAL 86 CO -0.16 -0.12 -0.14 -0.89 0.00 0.00 0.00 175.10 173.79 3cxs s THR 87 N 2.92 1.44 0.13 3.92 2.01 -0.35 -1.44 115.64 124.26 3cxs s THR 87 Ca 0.42 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 61.91 3cxs s THR 87 Cb -0.15 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 3cxs s THR 87 CO 0.08 0.43 -0.22 0.68 -0.69 0.00 0.00 174.62 174.90 3cxs s VAL 88 N 1.10 1.94 -0.21 3.82 -7.23 -0.60 -1.79 120.40 117.43 3cxs s VAL 88 Ca -0.04 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3cxs s VAL 88 Cb -0.14 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.03 3cxs s VAL 88 CO -0.03 -0.07 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.86 3cxs s VAL 89 N -1.35 2.52 -0.15 1.32 1.01 -0.40 -2.21 120.40 121.15 3cxs s VAL 89 Ca 0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3cxs s VAL 89 Cb -0.09 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3cxs s VAL 89 CO 0.06 0.41 -0.03 -0.70 0.00 0.00 0.00 175.10 174.84 3cxs s GLU 90 N 1.33 3.59 -0.68 2.72 2.12 -0.47 -0.13 118.70 127.19 3cxs s GLU 90 Ca 0.03 -0.50 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 3cxs s GLU 90 Cb -0.14 -2.91 0.03 0.00 0.26 0.00 0.00 34.13 31.36 3cxs s GLU 90 CO -0.09 0.31 1.26 0.34 -0.54 0.00 0.00 175.26 176.54 3cxs s ASP 91 N 0.19 6.25 0.08 -1.70 -1.08 0.30 -0.15 116.67 120.56 3cxs s ASP 91 Ca -0.01 -0.24 -0.25 0.00 -0.52 0.00 0.00 52.55 51.53 3cxs s ASP 91 Cb -0.14 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.61 3cxs s ASP 91 CO 0.03 -1.72 1.69 0.58 0.52 0.00 0.00 175.17 176.27 3cxs h VAL 92 N 6.08 0.89 0.00 1.11 2.07 -0.04 -2.19 116.25 124.17 3cxs h VAL 92 Ca -0.27 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3cxs h VAL 92 Cb 1.05 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3cxs h VAL 92 CO 1.25 0.01 0.00 1.07 0.02 0.00 0.00 177.57 179.92 3cxs n THR 93 N -5.15 0.14 0.00 2.57 5.66 -1.26 -2.27 114.28 113.97 3cxs n THR 93 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3cxs n THR 93 Cb 0.11 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 3cxs n THR 93 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3cxs n LEU 94 N 0.36 0.00 -2.64 1.09 4.77 -0.88 -5.04 117.00 114.65 3cxs n LEU 94 Ca 0.00 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 3cxs n LEU 94 Cb 0.17 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3cxs n LEU 94 CO 0.00 0.00 0.17 0.61 -1.33 0.00 0.00 177.39 176.84 3cxs n GLY 95 N 0.06 -0.08 2.89 -0.72 0.00 -0.88 -5.03 105.19 101.43 3cxs n GLY 95 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3cxs n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cxs s GLN 96 N -5.88 0.64 0.08 1.61 2.00 -1.17 -4.60 119.66 112.35 3cxs s GLN 96 Ca 0.39 -0.08 -0.31 0.00 -2.00 0.00 0.00 55.36 53.37 3cxs s GLN 96 Cb -0.17 -0.68 -0.07 0.00 0.80 0.00 0.00 33.01 32.89 3cxs s GLN 96 CO 0.50 -0.05 1.28 0.42 -0.50 0.00 0.00 175.29 176.94 3cxs s ILE 97 N 0.74 3.73 -0.22 -2.34 -1.09 -0.31 -0.54 121.20 121.16 3cxs s ILE 97 Ca -0.09 1.24 0.04 0.00 -2.23 0.00 0.00 60.65 59.61 3cxs s ILE 97 Cb -0.12 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 3cxs s ILE 97 CO -0.00 0.10 0.21 1.33 -1.23 0.00 0.00 174.94 175.34 3cxs n VAL 98 N 3.92 0.00 -3.55 2.92 0.24 0.82 -4.83 118.33 117.85 3cxs n VAL 98 Ca 0.10 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 3cxs n VAL 98 Cb 0.45 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 3cxs n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cxs s ALA 99 N -1.30 -1.85 0.01 2.33 0.00 -1.16 0.24 121.76 120.03 3cxs s ALA 99 Ca 0.02 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 3cxs s ALA 99 Cb 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3cxs s ALA 99 CO 0.16 -0.34 0.24 -0.08 0.00 0.00 0.00 175.76 175.74 3cxs s THR 100 N -1.04 0.08 -0.10 0.00 -1.32 -0.30 -1.28 115.64 111.67 3cxs s THR 100 Ca -0.06 -0.63 -0.24 0.00 -1.21 0.00 0.00 61.69 59.55 3cxs s THR 100 Cb -0.01 -0.65 0.06 0.00 -1.51 0.00 0.00 72.50 70.39 3cxs s THR 100 CO 0.06 -0.35 0.58 0.00 -2.21 0.00 0.00 174.62 172.70 3cxs s ALA 101 N -1.69 -1.48 -0.13 11.08 0.00 -0.74 -1.55 121.76 127.26 3cxs s ALA 101 Ca -0.12 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.11 3cxs s ALA 101 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3cxs s ALA 101 CO 0.01 -0.32 -0.15 0.99 0.00 0.00 0.00 175.76 176.29 3cxs s THR 102 N -0.69 2.82 -0.12 0.00 2.01 0.90 -1.21 115.64 119.34 3cxs s THR 102 Ca -0.08 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 3cxs s THR 102 Cb -0.03 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3cxs s THR 102 CO 0.06 0.53 0.29 -0.22 -0.69 0.00 0.00 174.62 174.59 3cxs s LEU 103 N 0.44 4.31 -0.06 4.42 2.96 -0.33 -0.30 118.68 130.12 3cxs s LEU 103 Ca -0.11 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3cxs s LEU 103 Cb -0.16 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.16 3cxs s LEU 103 CO 0.05 0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.49 3cxs s ILE 104 N -0.05 1.30 -0.32 6.68 1.01 0.80 -0.13 121.20 130.48 3cxs s ILE 104 Ca 0.18 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3cxs s ILE 104 Cb -0.14 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3cxs s ILE 104 CO 0.06 0.39 0.32 -0.63 0.00 0.00 0.00 174.94 175.07 3cxs s ILE 105 N 0.40 5.21 -0.16 2.92 -1.09 0.20 0.59 121.20 129.27 3cxs s ILE 105 Ca -0.11 0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 3cxs s ILE 105 Cb -0.14 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 3cxs s ILE 105 CO 0.04 0.01 0.23 -1.61 -1.23 0.00 0.00 174.94 172.38 3cxs s GLU 106 N 1.93 4.15 -0.08 2.79 2.02 0.77 -4.84 118.70 125.44 3cxs s GLU 106 Ca 0.11 -0.02 -0.14 0.00 0.02 0.00 0.00 54.97 54.93 3cxs s GLU 106 Cb -0.16 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 3cxs s GLU 106 CO 0.11 0.32 0.36 -1.01 0.02 0.00 0.00 175.26 175.06 3cxs s HIS 107 N 0.24 3.60 0.27 1.61 3.76 -1.26 -0.66 115.29 122.85 3cxs s HIS 107 Ca 0.14 0.81 0.02 0.00 -0.15 0.00 0.00 55.06 55.88 3cxs s HIS 107 Cb -0.12 -2.31 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 3cxs s HIS 107 CO 0.02 0.45 0.06 0.15 -0.85 0.00 0.00 174.74 174.58 3cxs s LYS 108 N -0.33 1.44 -0.07 1.40 1.02 -0.47 -5.00 119.74 117.74 3cxs s LYS 108 Ca 0.21 -1.77 0.21 0.00 0.02 0.00 0.00 55.97 54.63 3cxs s LYS 108 Cb -0.15 -0.49 -0.29 0.00 -0.52 0.00 0.00 37.83 36.38 3cxs s LYS 108 CO 0.09 -0.22 0.40 1.19 -0.92 0.00 0.00 175.35 175.89 3cxs n PHE 109 N -0.50 0.08 -1.65 3.18 3.72 -1.26 -3.69 117.46 117.34 3cxs n PHE 109 Ca -0.02 0.03 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 3cxs n PHE 109 Cb 0.66 -0.69 0.12 0.00 -0.94 0.00 0.00 39.48 38.62 3cxs n PHE 109 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3cxs s ILE 110 N -3.19 2.13 -1.37 4.37 -4.36 -1.26 -1.81 121.20 115.70 3cxs s ILE 110 Ca -0.08 0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 60.29 3cxs s ILE 110 Cb 0.11 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.96 3cxs s ILE 110 CO 0.88 -0.05 0.43 1.41 0.24 0.00 0.00 174.94 177.84 3cxs n HIS 111 N -3.59 -1.60 -3.83 1.37 8.25 -1.26 -1.42 115.22 113.15 3cxs n HIS 111 Ca 0.07 0.62 -0.26 0.00 -0.26 0.00 0.00 57.72 57.89 3cxs n HIS 111 Cb 0.59 -3.47 0.01 0.00 1.12 0.00 0.00 29.99 28.24 3cxs n HIS 111 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3cxs n SER 112 N -2.86 -1.83 -2.74 0.41 2.88 -1.26 -3.01 113.62 105.21 3cxs n SER 112 Ca -0.27 -0.97 -0.15 0.00 -1.33 0.00 0.00 58.87 56.15 3cxs n SER 112 Cb 0.66 -3.35 0.06 0.00 -0.75 0.00 0.00 64.21 60.83 3cxs n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxs s ALA 114 N -3.24 2.68 0.19 0.00 0.00 -0.52 -4.68 121.76 116.18 3cxs s ALA 114 Ca 0.23 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.82 3cxs s ALA 114 Cb -0.10 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3cxs s ALA 114 CO 0.52 -1.42 0.16 0.15 0.00 0.00 0.00 175.76 175.17 3cxs s LYS 115 N -5.39 2.92 0.03 0.00 1.02 -1.26 -1.36 119.74 115.69 3cxs s LYS 115 Ca 0.60 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 3cxs s LYS 115 Cb -0.12 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3cxs s LYS 115 CO 0.51 0.46 -0.02 -0.98 -0.92 0.00 0.00 175.35 174.41 3cxs s ARG 116 N -3.33 0.43 0.03 1.68 1.04 0.17 -1.14 118.95 117.82 3cxs s ARG 116 Ca 0.32 -0.80 -0.00 0.00 -1.04 0.00 0.00 55.73 54.20 3cxs s ARG 116 Cb -0.09 0.15 -0.04 0.00 -2.04 0.00 0.00 34.95 32.93 3cxs s ARG 116 CO 0.24 -0.08 0.14 0.20 -0.04 0.00 0.00 175.30 175.77 3cxs s GLY 117 N -1.95 2.11 -0.07 3.88 0.00 -0.14 -0.16 107.32 110.99 3cxs s GLY 117 Ca -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3cxs s GLY 117 CO -0.04 -0.79 -0.14 0.50 0.00 0.00 0.00 173.10 172.63 3cxs s ARG 118 N -2.13 1.89 -0.32 2.90 0.52 0.20 -0.39 118.95 121.62 3cxs s ARG 118 Ca 0.29 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 54.86 3cxs s ARG 118 Cb -0.12 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 3cxs s ARG 118 CO 0.21 0.04 0.43 0.08 0.02 0.00 0.00 175.30 176.07 3cxs s VAL 119 N 0.65 5.11 0.18 3.52 1.01 -0.80 -0.14 120.40 129.92 3cxs s VAL 119 Ca -0.15 0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.27 3cxs s VAL 119 Cb -0.16 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3cxs s VAL 119 CO 0.04 -0.06 -0.22 -1.61 0.00 0.00 0.00 175.10 173.25 3cxs s GLU 120 N 2.18 1.42 -1.03 2.72 0.41 0.59 -4.62 118.70 120.37 3cxs s GLU 120 Ca 0.16 -1.47 -0.02 0.00 -0.41 0.00 0.00 54.97 53.23 3cxs s GLU 120 Cb -0.16 -1.64 -0.02 0.00 -1.78 0.00 0.00 34.13 30.53 3cxs s GLU 120 CO 0.12 0.35 0.87 -0.25 -0.49 0.00 0.00 175.26 175.86 3cxs n ASP 121 N 0.31 -3.24 -4.55 -0.19 8.00 -1.26 -0.07 116.55 115.55 3cxs n ASP 121 Ca -0.13 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.37 3cxs n ASP 121 Cb 0.56 -4.64 -0.07 0.00 -0.02 0.00 0.00 41.12 36.95 3cxs n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3cxs s VAL 122 N -3.33 4.90 -0.06 2.53 1.01 -1.26 -3.86 120.40 120.34 3cxs s VAL 122 Ca 0.12 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3cxs s VAL 122 Cb -0.02 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3cxs s VAL 122 CO 0.65 -0.39 0.14 0.54 0.00 0.00 0.00 175.10 176.04 3cxs s VAL 123 N 2.66 -0.07 -0.17 2.92 0.11 -0.59 -4.97 120.40 120.28 3cxs s VAL 123 Ca 0.22 0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 3cxs s VAL 123 Cb -0.15 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3cxs s VAL 123 CO 0.16 0.08 0.12 -0.69 -3.33 0.00 0.00 175.10 171.44 3cxs s VAL 124 N 1.29 5.31 0.51 2.04 1.01 -1.26 -1.15 120.40 128.15 3cxs s VAL 124 Ca -0.08 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3cxs s VAL 124 Cb -0.12 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 3cxs s VAL 124 CO -0.06 0.51 0.59 -0.24 0.00 0.00 0.00 175.10 175.90 3cxs n SER 125 N 2.97 -0.73 -0.32 3.32 2.88 0.14 -4.87 113.62 117.00 3cxs n SER 125 Ca -0.17 0.81 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 3cxs n SER 125 Cb 0.53 -1.18 0.37 0.00 -0.75 0.00 0.00 64.21 63.18 3cxs n SER 125 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3cxs h ASP 126 N 0.53 0.70 -0.65 -3.46 3.32 -1.96 -2.79 116.42 112.11 3cxs h ASP 126 Ca -0.44 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3cxs h ASP 126 Cb 1.39 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 3cxs h ASP 126 CO 0.49 0.27 0.37 -0.33 -1.72 0.00 0.00 179.24 178.33 3cxs h GLU 127 N 0.69 0.91 -2.30 3.56 3.07 -1.94 -3.37 114.58 115.20 3cxs h GLU 127 Ca 0.54 -0.09 -0.67 0.00 -0.50 0.00 0.00 59.36 58.64 3cxs h GLU 127 Cb 0.93 -0.19 -0.37 0.00 -0.84 0.00 0.00 28.75 28.28 3cxs h GLU 127 CO -0.31 0.66 -0.05 0.00 -1.40 0.00 0.00 179.01 177.91 3cxs n ARG 129 N -0.03 0.49 -0.41 0.00 5.12 -1.26 -4.65 116.66 115.92 3cxs n ARG 129 Ca 0.36 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 3cxs n ARG 129 Cb 0.35 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 3cxs n ARG 129 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3cxs n LYS 131 N 0.36 -0.07 -1.31 5.56 5.02 -1.26 -4.99 118.16 121.47 3cxs n LYS 131 Ca 0.00 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 3cxs n LYS 131 Cb 0.15 -3.78 -0.05 0.00 -0.02 0.00 0.00 35.03 31.34 3cxs n LYS 131 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cxs n GLN 132 N -1.28 -0.76 -0.10 1.97 6.02 -1.26 -4.90 117.38 117.07 3cxs n GLN 132 Ca 0.00 0.87 -0.07 0.00 -0.01 0.00 0.00 57.00 57.79 3cxs n GLN 132 Cb 0.01 -4.82 0.01 0.00 1.02 0.00 0.00 30.24 26.46 3cxs n GLN 132 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3cxs h LEU 133 N 0.00 0.22 -0.57 1.08 3.38 -1.92 -1.66 115.31 115.84 3cxs h LEU 133 Ca -0.22 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.89 3cxs h LEU 133 Cb 0.70 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 3cxs h LEU 133 CO 0.32 0.17 -0.02 1.23 0.09 0.00 0.00 178.44 180.23 3cxs h GLY 134 N 0.33 0.58 0.94 0.83 0.00 -1.93 0.29 103.07 104.12 3cxs h GLY 134 Ca 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3cxs h GLY 134 CO -0.12 -0.18 0.17 0.50 0.00 0.00 0.00 176.54 176.91 3cxs h LYS 135 N 0.10 0.53 -0.41 4.80 1.57 -1.92 -2.25 116.57 118.99 3cxs h LYS 135 Ca 0.29 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3cxs h LYS 135 Cb 0.46 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3cxs h LYS 135 CO -0.50 0.48 0.19 1.25 -0.57 0.00 0.00 179.45 180.30 3cxs h LEU 136 N 0.44 0.54 -0.14 2.94 5.85 -0.18 -0.61 115.31 124.16 3cxs h LEU 136 Ca 0.12 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3cxs h LEU 136 Cb 0.14 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3cxs h LEU 136 CO -0.01 0.52 0.00 -0.07 -0.34 0.00 0.00 178.44 178.54 3cxs h LEU 137 N 0.52 0.23 -0.67 2.25 3.38 -0.48 -0.89 115.31 119.65 3cxs h LEU 137 Ca 0.14 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3cxs h LEU 137 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3cxs h LEU 137 CO -0.02 0.48 0.11 -0.07 0.09 0.00 0.00 178.44 179.03 3cxs h LEU 138 N -0.02 1.06 -0.27 1.67 -0.00 -1.20 -0.64 115.31 115.92 3cxs h LEU 138 Ca 0.04 -0.26 -0.20 0.00 -0.00 0.00 0.00 57.88 57.46 3cxs h LEU 138 Cb 0.36 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 3cxs h LEU 138 CO 0.01 1.05 -0.68 -1.28 -0.00 0.00 0.00 178.44 177.54 3cxs h SER 139 N 1.03 0.88 0.66 -0.43 0.87 -1.13 -2.12 113.55 113.31 3cxs h SER 139 Ca 0.20 -0.53 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 3cxs h SER 139 Cb 0.44 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3cxs h SER 139 CO 0.01 1.32 -0.33 0.74 -0.53 0.00 0.00 176.83 178.04 3cxs h THR 140 N 0.55 0.00 -0.60 2.23 2.02 -0.95 -2.45 112.91 113.70 3cxs h THR 140 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3cxs h THR 140 Cb 1.29 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 3cxs h THR 140 CO 0.14 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 176.17 3cxs h LEU 141 N -0.91 0.18 -0.34 2.58 3.38 -1.21 0.12 115.31 119.11 3cxs h LEU 141 Ca -0.09 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3cxs h LEU 141 Cb 0.70 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3cxs h LEU 141 CO 0.14 0.11 -0.10 0.74 0.09 0.00 0.00 178.44 179.42 3cxs h THR 142 N 0.37 0.63 -0.53 0.22 2.02 -1.44 -0.98 112.91 113.21 3cxs h THR 142 Ca 0.31 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.41 3cxs h THR 142 Cb 0.39 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3cxs h THR 142 CO -0.32 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.52 3cxs h LEU 143 N -0.02 0.85 -0.31 2.58 3.38 -0.62 -2.24 115.31 118.92 3cxs h LEU 143 Ca 0.17 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3cxs h LEU 143 Cb 0.27 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3cxs h LEU 143 CO -0.36 0.90 0.03 0.25 0.09 0.00 0.00 178.44 179.34 3cxs h LEU 144 N 0.82 -0.06 -0.44 1.67 5.85 -0.43 -2.97 115.31 119.74 3cxs h LEU 144 Ca 0.16 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3cxs h LEU 144 Cb 0.46 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3cxs h LEU 144 CO 0.02 0.00 -0.00 0.77 -0.34 0.00 0.00 178.44 178.89 3cxs h SER 145 N 0.13 -0.19 -0.24 1.25 4.64 -0.60 -1.89 113.55 116.65 3cxs h SER 145 Ca 0.15 0.10 -0.64 0.00 -0.47 0.00 0.00 61.79 60.93 3cxs h SER 145 Cb 0.18 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3cxs h SER 145 CO -0.23 -0.06 2.46 1.17 -0.87 0.00 0.00 176.83 179.31 3cxs n LYS 146 N -5.21 2.42 0.00 4.77 0.00 -1.03 -2.05 118.16 117.06 3cxs n LYS 146 Ca 0.04 -2.53 0.00 0.00 0.00 0.00 0.00 58.31 55.82 3cxs n LYS 146 Cb 0.23 -3.29 0.00 0.00 0.00 0.00 0.00 35.03 31.97 3cxs n LYS 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3cxs n LYS 147 N 7.11 0.00 -0.67 1.64 4.81 -0.96 -4.83 118.16 125.25 3cxs n LYS 147 Ca 0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.89 3cxs n LYS 147 Cb 0.42 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.66 3cxs n LYS 147 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3cxs n LEU 148 N 0.00 4.65 -2.25 3.14 4.77 -0.75 -4.93 117.00 121.63 3cxs n LEU 148 Ca 0.00 -2.41 -0.12 0.00 -0.03 0.00 0.00 56.01 53.45 3cxs n LEU 148 Cb 0.00 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 3cxs n LEU 148 CO 0.00 0.65 -0.15 0.59 -1.33 0.00 0.00 177.39 177.16 3cxs n ASN 149 N -0.03 -3.69 -4.71 -1.43 5.03 -1.20 -4.93 115.26 104.31 3cxs n ASN 149 Ca 0.27 0.22 -0.42 0.00 0.87 0.00 0.00 54.58 55.52 3cxs n ASN 149 Cb 1.04 -3.19 -0.03 0.00 -1.02 0.00 0.00 39.78 36.57 3cxs n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cxs h TYR 151 N 7.29 0.96 -3.94 0.00 -0.00 -1.47 -3.42 116.97 116.39 3cxs h TYR 151 Ca -0.42 -0.36 -0.44 0.00 0.00 0.00 0.00 58.73 57.51 3cxs h TYR 151 Cb 1.20 -0.17 -0.14 0.00 0.00 0.00 0.00 36.73 37.62 3cxs h TYR 151 CO 0.69 1.17 -0.54 -1.59 -0.00 0.00 0.00 178.16 177.88 3cxs s LYS 152 N -4.00 1.65 -0.08 0.10 -2.85 -1.26 -5.08 119.74 108.23 3cxs s LYS 152 Ca -0.09 -1.95 -0.05 0.00 -1.00 0.00 0.00 55.97 52.87 3cxs s LYS 152 Cb 0.10 -0.09 0.03 0.00 -2.06 0.00 0.00 37.83 35.81 3cxs s LYS 152 CO 0.88 -0.48 0.19 -1.50 0.10 0.00 0.00 175.35 174.53 3cxs s ILE 153 N -3.55 -0.02 0.31 3.79 2.07 -1.26 -0.96 121.20 121.58 3cxs s ILE 153 Ca 0.35 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.72 3cxs s ILE 153 Cb 0.04 -0.28 -0.06 0.00 0.13 0.00 0.00 42.46 42.29 3cxs s ILE 153 CO 0.19 0.03 0.01 0.42 -1.91 0.00 0.00 174.94 173.68 3cxs s THR 154 N 0.63 1.38 0.20 4.00 -4.23 0.48 -4.92 115.64 113.18 3cxs s THR 154 Ca -0.04 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 3cxs s THR 154 Cb -0.06 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.15 3cxs s THR 154 CO -0.03 -0.12 0.56 -1.48 -0.54 0.00 0.00 174.62 173.00 3cxs s LEU 155 N -3.48 -0.05 0.04 4.79 0.05 -1.26 -1.91 118.68 116.86 3cxs s LEU 155 Ca 0.34 -0.43 0.05 0.00 0.05 0.00 0.00 54.13 54.13 3cxs s LEU 155 Cb 0.07 2.27 -0.03 0.00 -2.05 0.00 0.00 46.19 46.44 3cxs s LEU 155 CO 0.14 -1.08 -0.10 -1.61 -0.55 0.00 0.00 176.35 173.15 3cxs s GLU 156 N -3.86 2.34 -0.08 1.48 8.01 -1.26 -5.05 118.70 120.28 3cxs s GLU 156 Ca 0.08 -0.85 -0.31 0.00 0.01 0.00 0.00 54.97 53.90 3cxs s GLU 156 Cb -0.02 -2.38 0.09 0.00 -4.31 0.00 0.00 34.13 27.51 3cxs s GLU 156 CO -0.03 0.57 0.77 0.00 0.01 0.00 0.00 175.26 176.57 3cxs s LEU 158 N -1.20 2.78 0.16 0.00 1.43 -1.26 -4.85 118.68 115.74 3cxs s LEU 158 Ca -0.08 2.00 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 3cxs s LEU 158 Cb -0.00 -4.46 0.09 0.00 0.03 0.00 0.00 46.19 41.85 3cxs s LEU 158 CO 0.07 -2.78 1.69 -0.65 0.23 0.00 0.00 176.35 174.91 3cxs h PRO 159 N -1.65 0.06 0.00 1.29 0.11 -2.02 -2.32 132.00 127.47 3cxs h PRO 159 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cxs h PRO 159 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3cxs h PRO 159 CO 0.46 0.04 0.62 1.96 -0.21 0.00 0.00 178.00 180.87 3cxs h GLN 160 N 0.06 0.00 -0.01 1.05 7.50 -2.06 0.58 115.11 122.23 3cxs h GLN 160 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 3cxs h GLN 160 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.80 3cxs h GLN 160 CO -0.34 0.00 -0.29 0.09 -1.50 0.00 0.00 178.83 176.79 3cxs n ASN 161 N -2.64 1.07 -0.15 1.46 3.02 -0.88 -4.63 115.26 112.52 3cxs n ASN 161 Ca -0.01 -1.03 -0.10 0.00 -0.03 0.00 0.00 54.58 53.40 3cxs n ASN 161 Cb 0.65 0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 40.36 3cxs n ASN 161 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3cxs h VAL 162 N 0.90 0.08 -0.76 2.41 2.07 -0.86 -2.24 116.25 117.85 3cxs h VAL 162 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3cxs h VAL 162 Cb 0.34 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 3cxs h VAL 162 CO 0.00 0.00 0.23 1.23 0.02 0.00 0.00 177.57 179.05 3cxs h GLY 163 N -0.32 1.11 0.34 2.17 0.00 -1.82 -0.40 103.07 104.14 3cxs h GLY 163 Ca 0.13 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3cxs h GLY 163 CO -0.61 -0.18 0.19 -2.75 0.00 0.00 0.00 176.54 173.20 3cxs h PHE 164 N 0.33 0.33 0.00 5.60 3.57 -1.71 -2.39 116.94 122.67 3cxs h PHE 164 Ca 0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.96 3cxs h PHE 164 Cb 0.72 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3cxs h PHE 164 CO -0.22 0.06 0.00 1.88 -2.23 0.00 0.00 178.31 177.80 3cxs h TYR 165 N 0.36 0.00 0.00 0.41 0.05 -0.85 -3.10 116.97 113.84 3cxs h TYR 165 Ca 0.31 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.05 3cxs h TYR 165 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3cxs h TYR 165 CO -0.19 0.00 -0.19 0.87 -1.05 0.00 0.00 178.16 177.60 3cxs h LYS 166 N 0.00 0.00 0.00 4.88 1.57 -1.10 -2.64 116.57 119.28 3cxs h LYS 166 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cxs h LYS 166 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3cxs h LYS 166 CO 0.00 0.19 0.00 0.36 -0.57 0.00 0.00 179.45 179.43 3cxs n LYS 167 N -3.39 0.51 0.00 3.15 0.00 -1.17 -1.19 118.16 116.07 3cxs n LYS 167 Ca -0.00 0.04 0.07 0.00 -0.00 0.00 0.00 58.31 58.42 3cxs n LYS 167 Cb 0.39 -1.50 0.05 0.00 -0.00 0.00 0.00 35.03 33.97 3cxs n LYS 167 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3cxs n PHE 168 N -1.14 0.00 -1.65 5.58 3.72 -1.00 -3.41 117.46 119.56 3cxs n PHE 168 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3cxs n PHE 168 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3cxs n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cxs n GLY 169 N 0.77 0.59 3.88 1.37 0.00 -0.33 -4.94 105.19 106.54 3cxs n GLY 169 Ca 0.08 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 3cxs n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cxs s TYR 170 N -2.00 3.49 0.05 1.61 2.02 -1.19 -5.04 117.35 116.29 3cxs s TYR 170 Ca 0.00 0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 57.61 3cxs s TYR 170 Cb 0.00 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 3cxs s TYR 170 CO 0.00 -0.11 0.06 0.95 -1.57 0.00 0.00 175.55 174.88 3cxs s THR 171 N -2.42 0.16 0.09 -0.71 -4.23 -1.26 -4.27 115.64 103.00 3cxs s THR 171 Ca 0.50 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 3cxs s THR 171 Cb -0.10 -1.06 -0.10 0.00 1.34 0.00 0.00 72.50 72.58 3cxs s THR 171 CO 0.34 -0.71 1.84 -0.69 -0.54 0.00 0.00 174.62 174.86 3cxs s VAL 172 N -3.00 2.71 0.51 2.29 1.01 -1.26 -5.02 120.40 117.64 3cxs s VAL 172 Ca -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3cxs s VAL 172 Cb 0.01 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3cxs s VAL 172 CO -0.06 -0.00 0.79 -0.44 0.00 0.00 0.00 175.10 175.38 3cxs s SER 173 N 3.09 5.91 0.00 3.32 0.01 -1.26 -4.99 113.70 119.78 3cxs s SER 173 Ca 0.82 0.67 0.29 0.00 1.31 0.00 0.00 55.95 59.04 3cxs s SER 173 Cb -0.44 -1.86 1.24 0.00 0.21 0.00 0.00 66.02 65.17 3cxs s SER 173 CO 0.37 -0.78 1.90 -0.62 0.41 0.00 0.00 173.24 174.52 3cxs n GLU 174 N -2.32 0.27 -3.01 12.44 1.02 -1.26 -4.85 120.64 122.94 3cxs n GLU 174 Ca 0.02 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 3cxs n GLU 174 Cb 0.57 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3cxs n GLU 174 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3cxs s GLU 175 N -2.76 4.46 0.80 3.49 2.02 -1.26 -5.05 118.70 120.39 3cxs s GLU 175 Ca 0.21 0.97 -0.11 0.00 0.02 0.00 0.00 54.97 56.06 3cxs s GLU 175 Cb 0.19 -3.42 0.07 0.00 0.10 0.00 0.00 34.13 31.08 3cxs s GLU 175 CO 0.52 0.14 1.09 -0.80 0.02 0.00 0.00 175.26 176.23 3cxs s ASN 176 N 0.49 4.30 -0.20 -0.19 0.01 -1.26 -5.06 114.94 113.03 3cxs s ASN 176 Ca 0.39 1.69 -0.02 0.00 -0.71 0.00 0.00 52.86 54.21 3cxs s ASN 176 Cb -0.19 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3cxs s ASN 176 CO 0.20 -2.15 -0.10 -0.47 -1.51 0.00 0.00 177.10 173.08 3cxs s TYR 177 N -2.93 2.89 -0.04 2.20 5.04 -1.26 -5.11 117.35 118.14 3cxs s TYR 177 Ca 0.61 -1.14 0.07 0.00 -2.44 0.00 0.00 57.07 54.17 3cxs s TYR 177 Cb -0.17 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 3cxs s TYR 177 CO 0.56 -0.61 -0.24 -1.64 -1.34 0.00 0.00 175.55 172.28 3cxs s MET 178 N 1.33 2.30 0.14 4.97 -1.94 -1.26 -5.13 119.30 119.71 3cxs s MET 178 Ca 0.04 -0.89 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 3cxs s MET 178 Cb -0.14 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 3cxs s MET 178 CO -0.06 0.51 -0.07 0.00 -0.01 0.00 0.00 175.02 175.39 3cxs s ARG 180 N -3.80 0.41 0.61 0.00 3.52 -1.26 -5.18 118.95 113.25 3cxs s ARG 180 Ca 0.16 0.99 0.07 0.00 -0.13 0.00 0.00 55.73 56.83 3cxs s ARG 180 Cb 0.04 0.21 0.11 0.00 -1.56 0.00 0.00 34.95 33.75 3cxs s ARG 180 CO -0.00 -0.20 0.84 0.54 -0.81 0.00 0.00 175.30 175.67 3cxs n ARG 181 N 4.84 0.45 0.00 5.12 1.74 -1.26 -5.38 116.66 122.17 3cxs n ARG 181 Ca -0.16 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 3cxs n ARG 181 Cb 0.53 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 3cxs n ARG 181 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30