#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4c n GLN 2 N 0.00 0.00 -2.10 0.00 7.27 -1.26 -3.52 117.38 117.77 1a4c n GLN 2 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1a4c n GLN 2 Cb 0.00 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.68 1a4c n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a4c s GLU 4 N -4.06 0.95 -0.09 0.00 2.02 -1.23 -1.88 118.70 114.41 1a4c s GLU 4 Ca 0.50 0.31 -0.19 0.00 0.02 0.00 0.00 54.97 55.61 1a4c s GLU 4 Cb 0.40 0.45 0.04 0.00 0.10 0.00 0.00 34.13 35.11 1a4c s GLU 4 CO -0.35 -0.26 0.45 0.00 0.02 0.00 0.00 175.26 175.12 1a4c s ALA 5 N -0.92 -1.14 -0.13 5.21 0.00 0.47 -4.90 121.76 120.34 1a4c s ALA 5 Ca -0.09 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1a4c s ALA 5 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1a4c s ALA 5 CO 0.07 -0.27 -0.07 0.99 0.00 0.00 0.00 175.76 176.49 1a4c s THR 6 N -0.65 3.65 0.03 0.00 2.01 -1.26 -0.15 115.64 119.27 1a4c s THR 6 Ca -0.08 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1a4c s THR 6 Cb -0.03 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1a4c s THR 6 CO 0.04 0.53 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.83 1a4c s ILE 7 N 0.08 1.22 0.07 1.82 2.07 -0.30 -4.94 121.20 121.22 1a4c s ILE 7 Ca -0.02 -0.98 0.09 0.00 -1.41 0.00 0.00 60.65 58.33 1a4c s ILE 7 Cb -0.14 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 1a4c s ILE 7 CO 0.03 0.09 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.31 1a4c s GLU 8 N -1.03 1.80 0.22 3.50 2.02 -1.26 -1.87 118.70 122.09 1a4c s GLU 8 Ca 0.03 -1.13 0.10 0.00 0.02 0.00 0.00 54.97 54.00 1a4c s GLU 8 Cb -0.08 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 1a4c s GLU 8 CO 0.01 0.51 -0.19 -1.12 0.02 0.00 0.00 175.26 174.49 1a4c s SER 9 N -1.53 3.11 0.00 -0.19 0.01 -0.43 -1.25 113.70 113.42 1a4c s SER 9 Ca 0.14 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1a4c s SER 9 Cb -0.10 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1a4c s SER 9 CO 0.04 -0.02 0.00 -0.46 0.41 0.00 0.00 173.24 173.22 1a4c n ASN 10 N -0.23 0.44 -1.71 2.44 0.23 -1.26 -0.16 115.26 115.00 1a4c n ASN 10 Ca -0.09 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.03 1a4c n ASN 10 Cb 0.59 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.64 1a4c n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1a4c n ASP 11 N 0.00 5.11 -4.65 0.53 8.00 -1.26 -4.46 116.55 119.82 1a4c n ASP 11 Ca 0.00 -2.80 -0.32 0.00 0.71 0.00 0.00 54.79 52.39 1a4c n ASP 11 Cb 0.00 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 1a4c n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4c s ALA 12 N -2.51 3.88 -0.80 2.24 0.00 -1.26 -5.06 121.76 118.25 1a4c s ALA 12 Ca 0.48 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1a4c s ALA 12 Cb 0.36 0.16 0.37 0.00 0.00 0.00 0.00 23.12 24.01 1a4c s ALA 12 CO 0.14 -0.08 2.04 -1.33 0.00 0.00 0.00 175.76 176.54 1a4c n MET 13 N -1.19 2.72 -3.83 0.00 2.81 -1.26 -4.91 117.12 111.46 1a4c n MET 13 Ca -0.16 -3.43 -0.12 0.00 -1.81 0.00 0.00 57.70 52.17 1a4c n MET 13 Cb 0.67 -2.27 -0.11 0.00 -0.71 0.00 0.00 33.22 30.79 1a4c n MET 13 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1a4c s GLN 14 N -3.97 0.32 0.58 0.03 -2.07 -1.26 -3.19 119.66 110.10 1a4c s GLN 14 Ca 0.55 0.02 -0.11 0.00 -1.82 0.00 0.00 55.36 54.00 1a4c s GLN 14 Cb 0.46 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.47 1a4c s GLN 14 CO -0.31 -0.06 0.98 0.71 -1.32 0.00 0.00 175.29 175.29 1a4c s TYR 15 N -0.45 3.59 0.20 9.60 2.02 -1.26 -4.43 117.35 126.61 1a4c s TYR 15 Ca -0.05 1.25 0.22 0.00 -0.37 0.00 0.00 57.07 58.11 1a4c s TYR 15 Cb -0.04 -2.67 0.88 0.00 -0.40 0.00 0.00 41.96 39.74 1a4c s TYR 15 CO 0.01 -0.57 1.82 0.38 -1.57 0.00 0.00 175.55 175.62 1a4c h ASP 16 N -0.00 0.00 -3.31 2.29 2.03 -1.56 -3.42 116.42 112.44 1a4c h ASP 16 Ca -0.45 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.21 1a4c h ASP 16 Cb 1.19 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 39.48 1a4c h ASP 16 CO 0.62 0.28 -0.67 -0.76 -1.03 0.00 0.00 179.24 177.68 1a4c s LEU 17 N -7.03 3.23 0.00 0.15 1.43 -1.26 -4.96 118.68 110.24 1a4c s LEU 17 Ca -0.00 -0.13 0.15 0.00 -1.03 0.00 0.00 54.13 53.13 1a4c s LEU 17 Cb 0.11 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1a4c s LEU 17 CO 0.65 0.18 0.84 0.29 0.23 0.00 0.00 176.35 178.55 1a4c n LYS 18 N 3.45 1.68 -3.89 1.70 4.01 -1.26 -4.83 118.16 119.02 1a4c n LYS 18 Ca -0.17 -0.84 -0.11 0.00 -0.51 0.00 0.00 58.31 56.68 1a4c n LYS 18 Cb 0.52 -1.26 -0.11 0.00 -0.51 0.00 0.00 35.03 33.68 1a4c n LYS 18 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1a4c s GLU 19 N -1.80 0.40 -0.03 1.97 0.41 -1.26 -1.20 118.70 117.19 1a4c s GLU 19 Ca 0.13 -0.38 -0.10 0.00 -0.41 0.00 0.00 54.97 54.21 1a4c s GLU 19 Cb 0.12 0.16 0.02 0.00 -1.78 0.00 0.00 34.13 32.65 1a4c s GLU 19 CO 0.37 -0.09 0.24 -1.64 -0.49 0.00 0.00 175.26 173.65 1a4c s MET 20 N -1.21 0.49 -0.06 1.61 -1.94 0.88 -4.90 119.30 114.16 1a4c s MET 20 Ca -0.13 -0.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.80 1a4c s MET 20 Cb -0.07 0.22 -0.00 0.00 2.01 0.00 0.00 34.83 36.98 1a4c s MET 20 CO 0.01 -0.11 -0.20 0.08 -0.01 0.00 0.00 175.02 174.78 1a4c s VAL 21 N -0.89 1.71 -0.20 -6.03 1.01 -1.26 -0.95 120.40 113.79 1a4c s VAL 21 Ca -0.10 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1a4c s VAL 21 Cb -0.05 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1a4c s VAL 21 CO 0.02 0.48 0.16 -0.69 0.00 0.00 0.00 175.10 175.07 1a4c s VAL 22 N 0.11 5.39 0.21 2.92 1.01 0.07 -4.95 120.40 125.15 1a4c s VAL 22 Ca -0.08 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1a4c s VAL 22 Cb -0.14 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1a4c s VAL 22 CO 0.04 0.41 1.15 -0.62 0.00 0.00 0.00 175.10 176.09 1a4c s ASP 23 N 0.51 7.16 0.59 3.32 2.15 -1.26 0.63 116.67 129.77 1a4c s ASP 23 Ca 0.09 2.22 0.29 0.00 0.43 0.00 0.00 52.55 55.57 1a4c s ASP 23 Cb -0.12 -2.61 1.57 0.00 -0.30 0.00 0.00 42.92 41.46 1a4c s ASP 23 CO -0.00 -0.29 2.00 0.11 -0.17 0.00 0.00 175.17 176.82 1a4c h LYS 24 N 4.85 0.00 -0.07 4.34 1.57 -1.92 0.69 116.57 126.03 1a4c h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1a4c h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1a4c h LYS 24 CO 0.72 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.47 1a4c n SER 25 N -3.76 1.02 -4.71 0.86 3.41 -1.26 -4.83 113.62 104.35 1a4c n SER 25 Ca 0.05 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 1a4c n SER 25 Cb 0.49 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1a4c n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4c h LYS 27 N 6.84 0.09 -4.47 0.00 6.56 -1.88 -3.43 116.57 120.28 1a4c h LYS 27 Ca -0.40 -0.15 -0.21 0.00 -1.06 0.00 0.00 60.65 58.83 1a4c h LYS 27 Cb 1.21 0.06 -0.17 0.00 -0.57 0.00 0.00 32.23 32.75 1a4c h LYS 27 CO 0.78 0.91 -0.71 -0.65 -2.06 0.00 0.00 179.45 177.72 1a4c s GLN 28 N -2.65 0.64 0.01 3.15 -0.21 -1.26 -1.28 119.66 118.06 1a4c s GLN 28 Ca -0.04 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.32 1a4c s GLN 28 Cb 0.08 -0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 1a4c s GLN 28 CO 0.83 -0.02 -0.10 0.12 -2.12 0.00 0.00 175.29 174.00 1a4c s PHE 29 N -2.75 0.90 -0.09 0.91 5.36 -0.69 -4.79 117.98 116.83 1a4c s PHE 29 Ca 0.01 -0.24 0.05 0.00 -0.96 0.00 0.00 56.93 55.79 1a4c s PHE 29 Cb -0.01 -0.56 -0.00 0.00 -0.34 0.00 0.00 43.02 42.11 1a4c s PHE 29 CO -0.04 -0.01 -0.24 0.99 -1.46 0.00 0.00 175.22 174.46 1a4c s THR 30 N -0.48 2.10 -0.14 0.12 2.01 -0.79 -0.84 115.64 117.62 1a4c s THR 30 Ca 0.02 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1a4c s THR 30 Cb -0.05 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1a4c s THR 30 CO 0.00 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1a4c s VAL 31 N 0.17 3.60 -0.22 3.82 1.01 -0.43 -0.40 120.40 127.96 1a4c s VAL 31 Ca -0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1a4c s VAL 31 Cb -0.16 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1a4c s VAL 31 CO 0.07 0.51 -0.02 -1.00 0.00 0.00 0.00 175.10 174.66 1a4c s HIS 32 N 0.30 2.98 -0.19 5.22 3.76 0.79 -1.73 115.29 126.42 1a4c s HIS 32 Ca -0.06 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.00 1a4c s HIS 32 Cb -0.15 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1a4c s HIS 32 CO 0.04 -0.46 0.06 -1.17 -0.85 0.00 0.00 174.74 172.35 1a4c s LEU 33 N 1.38 3.72 -0.08 0.89 2.96 0.43 -1.15 118.68 126.84 1a4c s LEU 33 Ca 0.05 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1a4c s LEU 33 Cb -0.14 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1a4c s LEU 33 CO -0.01 0.15 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.42 1a4c s LYS 34 N 0.53 2.79 -0.47 1.98 1.02 -0.78 -1.39 119.74 123.44 1a4c s LYS 34 Ca 0.03 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 1a4c s LYS 34 Cb -0.13 -2.33 0.10 0.00 -0.52 0.00 0.00 37.83 34.95 1a4c s LYS 34 CO 0.01 0.36 0.35 -1.58 -0.92 0.00 0.00 175.35 173.58 1a4c s HIS 35 N -0.09 3.32 -2.26 3.18 5.65 -0.38 -1.32 115.29 123.40 1a4c s HIS 35 Ca -0.04 -1.43 0.20 0.00 0.25 0.00 0.00 55.06 54.03 1a4c s HIS 35 Cb -0.14 -3.29 0.63 0.00 -1.18 0.00 0.00 32.58 28.60 1a4c s HIS 35 CO 0.04 -0.90 1.48 1.33 -0.65 0.00 0.00 174.74 176.04 1a4c n VAL 36 N 5.04 0.31 -2.67 0.89 0.24 0.78 -1.37 118.33 121.54 1a4c n VAL 36 Ca -0.11 -0.44 -0.22 0.00 -2.04 0.00 0.00 64.34 61.54 1a4c n VAL 36 Cb 0.42 0.44 0.07 0.00 -1.47 0.00 0.00 33.84 33.30 1a4c n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1a4c s GLY 37 N -1.46 1.79 0.00 7.63 0.00 -1.25 -4.87 107.32 109.16 1a4c s GLY 37 Ca 0.32 -1.59 0.25 0.00 0.00 0.00 0.00 44.72 43.70 1a4c s GLY 37 CO 0.26 -1.18 1.36 0.58 0.00 0.00 0.00 173.10 174.12 1a4c n LYS 38 N -2.51 1.24 -2.79 2.90 2.85 -1.26 -3.63 118.16 114.96 1a4c n LYS 38 Ca 0.12 -0.90 -0.36 0.00 -1.05 0.00 0.00 58.31 56.12 1a4c n LYS 38 Cb 0.60 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.44 1a4c n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a4c s MET 39 N -2.38 4.49 0.66 -1.58 -1.94 -1.26 -4.72 119.30 112.56 1a4c s MET 39 Ca 0.24 1.28 -0.14 0.00 -1.71 0.00 0.00 55.69 55.35 1a4c s MET 39 Cb 0.19 -2.64 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 1a4c s MET 39 CO 0.50 0.19 1.09 0.00 -0.01 0.00 0.00 175.02 176.80 1a4c s ALA 40 N -1.76 2.52 0.48 3.03 0.00 -1.26 -0.52 121.76 124.26 1a4c s ALA 40 Ca 0.53 0.46 0.19 0.00 0.00 0.00 0.00 51.96 53.13 1a4c s ALA 40 Cb -0.16 -3.28 1.25 0.00 0.00 0.00 0.00 23.12 20.92 1a4c s ALA 40 CO 0.21 -1.21 2.08 1.57 0.00 0.00 0.00 175.76 178.41 1a4c h LYS 41 N -0.03 0.00 0.00 0.00 2.10 -1.83 0.35 116.57 117.15 1a4c h LYS 41 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1a4c h LYS 41 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1a4c h LYS 41 CO 0.55 0.10 -0.02 0.66 -2.00 0.00 0.00 179.45 178.73 1a4c h SER 42 N 0.00 0.00 0.02 7.07 4.64 -1.96 -1.60 113.55 121.72 1a4c h SER 42 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1a4c h SER 42 Cb 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1a4c h SER 42 CO 0.01 0.02 -2.33 0.00 -0.87 0.00 0.00 176.83 173.67 1a4c n ALA 43 N -2.40 1.23 -2.89 5.18 0.00 -0.11 -4.83 120.51 116.70 1a4c n ALA 43 Ca -0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 1a4c n ALA 43 Cb 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 19.45 19.43 1a4c n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1a4c n MET 44 N -3.68 1.06 -2.09 0.00 0.00 -0.08 -5.01 117.12 107.32 1a4c n MET 44 Ca -0.45 -2.86 -0.32 0.00 -0.00 0.00 0.00 57.70 54.06 1a4c n MET 44 Cb 0.94 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.95 1a4c n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1a4c s GLY 45 N -2.25 2.07 0.06 -5.12 0.00 -0.61 -4.69 107.32 96.78 1a4c s GLY 45 Ca 0.30 0.31 -0.09 0.00 0.00 0.00 0.00 44.72 45.24 1a4c s GLY 45 CO -0.04 0.62 0.19 0.30 0.00 0.00 0.00 173.10 174.16 1a4c s HIS 46 N -2.55 0.09 0.25 1.90 3.76 -0.87 -4.84 115.29 113.02 1a4c s HIS 46 Ca 0.62 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1a4c s HIS 46 Cb -0.14 -0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 1a4c s HIS 46 CO 0.37 -0.46 0.26 0.27 -0.85 0.00 0.00 174.74 174.33 1a4c n ASN 47 N 0.44 -0.69 -3.75 1.40 6.94 -1.26 -1.16 115.26 117.18 1a4c n ASN 47 Ca -0.18 -2.51 -0.20 0.00 -0.02 0.00 0.00 54.58 51.67 1a4c n ASN 47 Cb 0.60 1.45 -0.17 0.00 -2.36 0.00 0.00 39.78 39.30 1a4c n ASN 47 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1a4c s TRP 48 N -3.16 0.39 -0.04 -2.53 -0.00 -1.26 -4.36 118.94 107.97 1a4c s TRP 48 Ca 0.26 0.01 0.05 0.00 -0.00 0.00 0.00 56.10 56.42 1a4c s TRP 48 Cb 0.01 -0.60 -0.01 0.00 -0.00 0.00 0.00 33.47 32.87 1a4c s TRP 48 CO 0.19 -0.23 -0.19 0.08 -0.00 0.00 0.00 176.95 176.79 1a4c s VAL 49 N 1.77 1.59 -0.12 5.86 1.01 -0.02 -0.98 120.40 129.50 1a4c s VAL 49 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1a4c s VAL 49 Cb -0.13 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1a4c s VAL 49 CO -0.04 0.45 -0.14 -0.22 0.00 0.00 0.00 175.10 175.16 1a4c s LEU 50 N -0.04 2.65 0.29 3.92 2.96 -0.02 -1.24 118.68 127.20 1a4c s LEU 50 Ca -0.03 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1a4c s LEU 50 Cb -0.12 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1a4c s LEU 50 CO 0.02 0.17 0.33 0.42 -1.32 0.00 0.00 176.35 175.97 1a4c s THR 51 N 0.33 0.00 0.42 3.68 -4.23 -0.37 -1.55 115.64 113.91 1a4c s THR 51 Ca -0.11 -1.79 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 1a4c s THR 51 Cb -0.16 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 1a4c s THR 51 CO 0.06 0.00 1.05 -0.54 -0.54 0.00 0.00 174.62 174.65 1a4c s LYS 52 N -3.58 4.08 0.24 3.99 1.02 -1.26 -1.08 119.74 123.14 1a4c s LYS 52 Ca 0.35 1.50 -0.11 0.00 0.02 0.00 0.00 55.97 57.73 1a4c s LYS 52 Cb 0.02 -2.45 0.34 0.00 -0.52 0.00 0.00 37.83 35.22 1a4c s LYS 52 CO 0.19 -0.22 1.60 0.93 -0.92 0.00 0.00 175.35 176.93 1a4c h GLU 53 N 2.30 0.01 0.00 1.68 3.07 -1.91 0.14 114.58 119.87 1a4c h GLU 53 Ca -0.49 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 1a4c h GLU 53 Cb 1.22 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1a4c h GLU 53 CO 0.62 0.00 -0.03 0.00 -1.40 0.00 0.00 179.01 178.20 1a4c h ALA 54 N 1.78 1.26 0.00 3.43 0.00 -1.95 -2.18 119.26 121.60 1a4c h ALA 54 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1a4c h ALA 54 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a4c h ALA 54 CO -0.80 0.04 -0.68 -0.25 0.00 0.00 0.00 179.25 177.57 1a4c n ASP 55 N -3.50 0.60 -0.18 0.00 8.00 0.46 -4.45 116.55 117.48 1a4c n ASP 55 Ca -0.02 -0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.24 1a4c n ASP 55 Cb 0.14 0.39 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1a4c n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1a4c h LYS 56 N 0.00 -0.14 -0.65 -1.24 3.64 -1.13 -1.63 116.57 115.42 1a4c h LYS 56 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1a4c h LYS 56 Cb 0.61 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1a4c h LYS 56 CO 0.00 -0.09 0.11 1.49 -2.27 0.00 0.00 179.45 178.68 1a4c h GLU 57 N -0.15 1.08 -0.55 1.90 4.81 -1.79 0.83 114.58 120.71 1a4c h GLU 57 Ca 0.23 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1a4c h GLU 57 Cb 0.52 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1a4c h GLU 57 CO -0.63 0.99 -0.06 0.78 -0.73 0.00 0.00 179.01 179.37 1a4c h GLY 58 N 1.00 1.09 0.95 1.92 0.00 -1.70 -0.03 103.07 106.30 1a4c h GLY 58 Ca 0.20 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 1a4c h GLY 58 CO 0.01 0.78 -0.08 -2.08 0.00 0.00 0.00 176.54 175.17 1a4c h VAL 59 N 0.89 1.28 -0.61 4.60 2.07 -1.19 -1.21 116.25 122.08 1a4c h VAL 59 Ca 0.15 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1a4c h VAL 59 Cb 0.62 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1a4c h VAL 59 CO 0.04 0.38 0.21 0.00 0.02 0.00 0.00 177.57 178.22 1a4c h ALA 60 N 0.83 0.79 0.45 1.67 0.00 -0.61 0.29 119.26 122.68 1a4c h ALA 60 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1a4c h ALA 60 Cb 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a4c h ALA 60 CO 0.03 0.44 -0.22 1.15 0.00 0.00 0.00 179.25 180.65 1a4c h THR 61 N 0.85 0.55 0.00 0.00 2.02 -0.91 -0.93 112.91 114.49 1a4c h THR 61 Ca 0.20 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1a4c h THR 61 Cb 0.25 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1a4c h THR 61 CO -0.01 0.02 -0.19 0.44 0.37 0.00 0.00 175.52 176.15 1a4c h ASP 62 N -0.67 0.00 0.65 4.18 3.32 -1.24 -2.67 116.42 119.99 1a4c h ASP 62 Ca -0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1a4c h ASP 62 Cb 0.50 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1a4c h ASP 62 CO 0.10 0.19 -0.31 1.23 -1.72 0.00 0.00 179.24 178.73 1a4c h GLY 63 N 2.00 -0.92 1.21 2.75 0.00 -0.19 -0.83 103.07 107.09 1a4c h GLY 63 Ca -0.00 0.34 0.10 0.00 0.00 0.00 0.00 47.33 47.77 1a4c h GLY 63 CO 0.03 -0.33 0.30 1.98 0.00 0.00 0.00 176.54 178.51 1a4c h MET 64 N -1.08 0.11 0.00 4.80 1.85 -1.19 0.62 114.93 120.04 1a4c h MET 64 Ca -0.09 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 1a4c h MET 64 Cb 0.67 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.67 1a4c h MET 64 CO 0.15 0.07 -0.40 -0.97 -0.40 0.00 0.00 176.91 175.35 1a4c h ASN 65 N 0.11 0.00 0.74 1.39 -1.24 -1.34 -3.21 115.58 112.03 1a4c h ASN 65 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1a4c h ASN 65 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1a4c h ASN 65 CO -0.02 0.40 0.00 0.00 -1.29 0.00 0.00 177.43 176.52 1a4c n ALA 66 N -2.33 1.72 -0.08 1.57 0.00 0.21 -5.02 120.51 116.58 1a4c n ALA 66 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1a4c n ALA 66 Cb 0.50 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1a4c n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4c n GLY 67 N 0.12 -2.65 0.23 0.00 0.00 -1.22 -3.93 105.19 97.74 1a4c n GLY 67 Ca 0.03 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.66 1a4c n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4c h LEU 68 N -0.08 0.10 -1.57 0.99 5.85 -1.92 -1.45 115.31 117.23 1a4c h LEU 68 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a4c h LEU 68 Cb 0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1a4c h LEU 68 CO 0.00 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 1a4c h ALA 69 N 1.74 1.00 -0.74 1.25 0.00 -2.01 -0.71 119.26 119.80 1a4c h ALA 69 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a4c h ALA 69 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a4c h ALA 69 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1a4c n GLN 70 N -2.82 2.71 -2.44 0.00 1.13 -0.61 -4.93 117.38 110.41 1a4c n GLN 70 Ca 0.00 -2.65 -0.18 0.00 -1.94 0.00 0.00 57.00 52.23 1a4c n GLN 70 Cb 0.22 -1.57 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 1a4c n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a4c n ASP 71 N 1.66 -5.26 -3.75 1.08 8.00 -0.27 -2.34 116.55 115.67 1a4c n ASP 71 Ca 0.25 0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.53 1a4c n ASP 71 Cb 0.62 -4.39 0.05 0.00 -0.02 0.00 0.00 41.12 37.37 1a4c n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a4c n TYR 72 N -3.82 -2.35 -3.98 1.24 4.01 -0.80 -4.64 117.16 106.82 1a4c n TYR 72 Ca -0.21 0.92 -0.17 0.00 -0.16 0.00 0.00 57.90 58.28 1a4c n TYR 72 Cb 0.66 -4.44 -0.16 0.00 -0.31 0.00 0.00 39.34 35.09 1a4c n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a4c s VAL 73 N -3.40 0.25 0.11 -0.72 1.01 -0.99 -4.16 120.40 112.51 1a4c s VAL 73 Ca 0.43 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 1a4c s VAL 73 Cb -0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 1a4c s VAL 73 CO 0.79 0.16 1.86 -0.75 0.00 0.00 0.00 175.10 177.16 1a4c s LYS 74 N 0.95 4.13 -0.32 2.72 2.20 -1.26 -4.78 119.74 123.38 1a4c s LYS 74 Ca -0.10 2.61 -0.42 0.00 -0.36 0.00 0.00 55.97 57.70 1a4c s LYS 74 Cb -0.13 -3.67 -0.17 0.00 -1.51 0.00 0.00 37.83 32.34 1a4c s LYS 74 CO -0.01 -0.86 1.64 0.00 -0.36 0.00 0.00 175.35 175.76 1a4c n ALA 75 N 5.94 -0.79 -3.37 3.13 0.00 -1.26 -1.41 120.51 122.75 1a4c n ALA 75 Ca 0.18 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.83 1a4c n ALA 75 Cb 0.38 -2.09 0.06 0.00 0.00 0.00 0.00 19.45 17.80 1a4c n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4c n GLY 76 N 3.90 -0.54 3.69 0.00 0.00 -1.26 -4.94 105.19 106.05 1a4c n GLY 76 Ca 0.27 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1a4c n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4c s ASP 77 N -3.05 6.68 0.58 1.61 -1.08 -0.50 -4.90 116.67 116.01 1a4c s ASP 77 Ca 0.47 2.38 0.36 0.00 -0.52 0.00 0.00 52.55 55.24 1a4c s ASP 77 Cb -0.21 -2.56 1.64 0.00 -1.46 0.00 0.00 42.92 40.32 1a4c s ASP 77 CO 0.58 -0.83 2.08 0.71 0.52 0.00 0.00 175.17 178.23 1a4c h THR 78 N 4.81 0.02 -0.00 1.71 1.35 -1.92 -2.69 112.91 116.19 1a4c h THR 78 Ca -0.41 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1a4c h THR 78 Cb 1.19 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1a4c h THR 78 CO 0.92 0.01 -0.12 0.54 -0.25 0.00 0.00 175.52 176.62 1a4c n ARG 79 N -3.10 0.37 -3.37 4.72 1.74 -1.26 -4.74 116.66 111.02 1a4c n ARG 79 Ca -0.00 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 1a4c n ARG 79 Cb 0.25 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 1a4c n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4c s VAL 80 N -2.70 5.17 -0.08 1.55 1.01 -1.02 -4.50 120.40 119.83 1a4c s VAL 80 Ca 0.23 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 1a4c s VAL 80 Cb 0.19 -3.72 -0.28 0.00 0.00 0.00 0.00 36.38 32.58 1a4c s VAL 80 CO 0.52 0.17 0.89 0.40 0.00 0.00 0.00 175.10 177.07 1a4c h ILE 81 N 5.30 1.62 -2.28 2.22 2.04 -1.57 -3.49 117.51 121.34 1a4c h ILE 81 Ca -0.32 -2.34 -0.07 0.00 1.00 0.00 0.00 64.86 63.13 1a4c h ILE 81 Cb 1.16 3.16 -0.20 0.00 -0.74 0.00 0.00 36.82 40.21 1a4c h ILE 81 CO 0.67 0.64 0.05 0.00 0.00 0.00 0.00 178.15 179.51 1a4c s ALA 82 N -2.52 -1.50 -0.01 1.87 0.00 -1.24 -4.90 121.76 113.46 1a4c s ALA 82 Ca -0.16 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 1a4c s ALA 82 Cb -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1a4c s ALA 82 CO 0.76 -0.33 0.33 -3.38 0.00 0.00 0.00 175.76 173.14 1a4c s HIS 83 N -0.96 -0.20 0.61 0.00 -3.43 -1.26 -0.84 115.29 109.21 1a4c s HIS 83 Ca -0.10 0.27 0.07 0.00 -0.80 0.00 0.00 55.06 54.50 1a4c s HIS 83 Cb -0.02 0.11 0.09 0.00 -1.43 0.00 0.00 32.58 31.34 1a4c s HIS 83 CO 0.07 -0.42 0.84 0.95 -2.00 0.00 0.00 174.74 174.18 1a4c s THR 84 N -1.49 2.20 0.87 -5.38 -4.23 -0.16 -4.84 115.64 102.61 1a4c s THR 84 Ca -0.12 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 1a4c s THR 84 Cb -0.04 -2.31 0.13 0.00 1.34 0.00 0.00 72.50 71.61 1a4c s THR 84 CO 0.04 0.00 1.23 -0.54 -0.54 0.00 0.00 174.62 174.81 1a4c s LYS 85 N -4.78 1.41 -0.11 3.99 1.02 -1.26 -4.64 119.74 115.37 1a4c s LYS 85 Ca 0.63 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 56.31 1a4c s LYS 85 Cb -0.06 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1a4c s LYS 85 CO 0.40 -1.94 0.66 0.08 -0.92 0.00 0.00 175.35 173.63 1a4c s VAL 86 N -3.68 5.05 0.26 3.17 1.01 -1.26 -4.27 120.40 120.68 1a4c s VAL 86 Ca 0.67 1.33 0.11 0.00 0.00 0.00 0.00 61.98 64.08 1a4c s VAL 86 Cb -0.08 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1a4c s VAL 86 CO 0.51 0.22 -0.18 0.27 0.00 0.00 0.00 175.10 175.92 1a4c s ILE 87 N 1.08 2.22 0.39 2.22 -4.36 -0.30 -4.90 121.20 117.55 1a4c s ILE 87 Ca 0.34 -2.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1a4c s ILE 87 Cb -0.17 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.34 1a4c s ILE 87 CO 0.15 -0.46 0.11 0.61 0.24 0.00 0.00 174.94 175.58 1a4c n GLY 88 N -0.54 3.41 3.65 6.27 0.00 -1.26 -2.06 105.19 114.66 1a4c n GLY 88 Ca -0.06 -2.31 -0.47 0.00 0.00 0.00 0.00 46.02 43.19 1a4c n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4c n GLY 89 N 0.36 0.77 2.17 -0.02 0.00 0.32 -2.12 105.19 106.68 1a4c n GLY 89 Ca -0.11 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1a4c n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4c n GLY 90 N 2.62 0.84 3.71 -0.02 0.00 -0.47 -4.93 105.19 106.93 1a4c n GLY 90 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1a4c n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4c s GLU 91 N -0.24 2.25 0.18 1.61 2.02 -0.90 -4.94 118.70 118.68 1a4c s GLU 91 Ca 0.00 -1.70 -0.08 0.00 0.02 0.00 0.00 54.97 53.21 1a4c s GLU 91 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 1a4c s GLU 91 CO 0.00 0.04 0.27 -1.54 0.02 0.00 0.00 175.26 174.05 1a4c s SER 92 N -3.84 0.06 -0.07 -0.19 1.04 -1.26 -1.24 113.70 108.20 1a4c s SER 92 Ca 0.38 -0.98 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 1a4c s SER 92 Cb 0.00 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1a4c s SER 92 CO 0.22 -0.91 0.58 -0.62 0.98 0.00 0.00 173.24 173.49 1a4c s ASP 93 N -3.01 -0.54 0.24 7.02 2.15 -0.48 -4.98 116.67 117.07 1a4c s ASP 93 Ca 0.21 0.65 0.10 0.00 0.43 0.00 0.00 52.55 53.94 1a4c s ASP 93 Cb 0.04 0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 43.20 1a4c s ASP 93 CO 0.03 -0.51 -0.17 -0.44 -0.17 0.00 0.00 175.17 173.91 1a4c s SER 94 N -0.98 3.08 -0.07 -0.34 0.01 -1.26 -0.43 113.70 113.71 1a4c s SER 94 Ca -0.10 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.09 1a4c s SER 94 Cb -0.02 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1a4c s SER 94 CO 0.07 -0.06 0.17 0.54 0.41 0.00 0.00 173.24 174.37 1a4c s VAL 95 N -2.72 -0.01 -0.08 3.43 0.11 -0.71 -4.89 120.40 115.53 1a4c s VAL 95 Ca 0.26 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1a4c s VAL 95 Cb -0.03 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1a4c s VAL 95 CO 0.11 0.02 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.86 1a4c s THR 96 N 0.36 2.98 0.20 5.04 2.01 -1.26 -1.31 115.64 123.67 1a4c s THR 96 Ca -0.02 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1a4c s THR 96 Cb -0.04 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1a4c s THR 96 CO -0.02 0.56 0.02 0.72 -0.69 0.00 0.00 174.62 175.22 1a4c s PHE 97 N -0.28 1.37 -0.25 4.92 -0.12 -0.02 -4.94 117.98 118.65 1a4c s PHE 97 Ca 0.02 -1.02 -0.29 0.00 -0.05 0.00 0.00 56.93 55.59 1a4c s PHE 97 Cb -0.13 -0.79 0.00 0.00 -0.63 0.00 0.00 43.02 41.48 1a4c s PHE 97 CO 0.03 -0.19 1.18 0.34 -0.05 0.00 0.00 175.22 176.53 1a4c s ASP 98 N -3.23 6.90 0.39 1.98 2.15 -1.26 -1.70 116.67 121.89 1a4c s ASP 98 Ca 0.28 1.34 0.28 0.00 0.43 0.00 0.00 52.55 54.87 1a4c s ASP 98 Cb 0.06 -2.54 1.07 0.00 -0.30 0.00 0.00 42.92 41.21 1a4c s ASP 98 CO 0.07 -0.86 1.82 0.58 -0.17 0.00 0.00 175.17 176.61 1a4c h VAL 99 N 5.67 0.00 0.00 1.11 2.07 -1.46 -2.11 116.25 121.53 1a4c h VAL 99 Ca -0.23 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1a4c h VAL 99 Cb 1.08 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1a4c h VAL 99 CO 1.01 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.06 1a4c n SER 100 N -2.66 0.00 0.00 0.57 3.41 -1.26 -1.79 113.62 111.89 1a4c n SER 100 Ca 0.02 -0.22 0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1a4c n SER 100 Cb 0.30 -0.20 0.72 0.00 -0.26 0.00 0.00 64.21 64.77 1a4c n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4c n LYS 101 N -1.20 0.39 -3.98 4.33 5.02 -0.79 -4.77 118.16 117.14 1a4c n LYS 101 Ca 0.12 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 1a4c n LYS 101 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1a4c n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a4c s LEU 102 N -2.59 3.68 -0.10 -0.35 1.43 -0.74 -5.06 118.68 114.94 1a4c s LEU 102 Ca 0.26 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1a4c s LEU 102 Cb 0.19 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1a4c s LEU 102 CO 0.44 0.12 1.08 -0.89 0.23 0.00 0.00 176.35 177.33 1a4c s THR 103 N 0.69 4.60 0.20 5.49 2.01 -1.26 -4.98 115.64 122.40 1a4c s THR 103 Ca 0.03 1.89 -0.32 0.00 0.31 0.00 0.00 61.69 63.60 1a4c s THR 103 Cb -0.13 -4.22 -0.13 0.00 0.01 0.00 0.00 72.50 68.03 1a4c s THR 103 CO 0.02 -0.02 1.63 -2.65 -0.69 0.00 0.00 174.62 172.91 1a4c n PRO 104 N 5.24 2.48 0.00 4.92 -0.02 -1.26 -1.80 135.00 144.56 1a4c n PRO 104 Ca 0.10 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1a4c n PRO 104 Cb 0.48 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1a4c n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4c n GLY 105 N 3.44 3.23 3.74 -1.23 0.00 -1.26 -5.02 105.19 108.09 1a4c n GLY 105 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1a4c n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a4c s GLU 106 N -0.51 4.69 0.07 1.61 2.12 -0.75 -4.96 118.70 120.97 1a4c s GLU 106 Ca 0.00 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.65 1a4c s GLU 106 Cb 0.00 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1a4c s GLU 106 CO 0.00 0.23 0.87 0.00 -0.54 0.00 0.00 175.26 175.82 1a4c s ALA 107 N -0.47 3.29 0.08 6.30 0.00 -1.26 -4.39 121.76 125.31 1a4c s ALA 107 Ca 0.46 0.43 0.09 0.00 0.00 0.00 0.00 51.96 52.95 1a4c s ALA 107 Cb -0.27 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1a4c s ALA 107 CO 0.33 -0.01 -0.25 0.71 0.00 0.00 0.00 175.76 176.55 1a4c s TYR 108 N 0.08 2.17 -0.02 0.00 2.02 -0.09 -4.37 117.35 117.14 1a4c s TYR 108 Ca 0.43 -0.40 -0.24 0.00 -0.37 0.00 0.00 57.07 56.49 1a4c s TYR 108 Cb -0.22 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1a4c s TYR 108 CO 0.26 0.19 0.75 0.00 -1.57 0.00 0.00 175.55 175.18 1a4c s ALA 109 N -0.91 3.33 -0.04 3.71 0.00 -0.24 -0.67 121.76 126.93 1a4c s ALA 109 Ca 0.11 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1a4c s ALA 109 Cb -0.10 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1a4c s ALA 109 CO 0.03 -0.05 -0.20 1.52 0.00 0.00 0.00 175.76 177.06 1a4c s TYR 110 N 0.52 1.87 0.26 0.00 -0.85 -0.54 -1.24 117.35 117.38 1a4c s TYR 110 Ca 0.39 -0.48 -0.15 0.00 -0.52 0.00 0.00 57.07 56.31 1a4c s TYR 110 Cb -0.19 -1.24 0.00 0.00 0.38 0.00 0.00 41.96 40.92 1a4c s TYR 110 CO 0.21 -0.13 0.56 -0.59 -1.52 0.00 0.00 175.55 174.08 1a4c s PHE 111 N -0.18 0.19 -0.21 -3.49 -0.71 -0.37 -0.02 117.98 113.19 1a4c s PHE 111 Ca 0.00 -0.59 -0.07 0.00 -1.04 0.00 0.00 56.93 55.23 1a4c s PHE 111 Cb -0.11 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1a4c s PHE 111 CO 0.01 -1.08 0.06 0.00 -1.34 0.00 0.00 175.22 172.88 1a4c n SER 113 N 4.15 3.23 -4.77 0.00 3.41 -1.26 -1.53 113.62 116.86 1a4c n SER 113 Ca -0.16 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.07 1a4c n SER 113 Cb 0.52 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1a4c n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a4c s PHE 114 N -1.28 2.42 -0.18 7.33 5.36 -1.26 -3.92 117.98 126.45 1a4c s PHE 114 Ca 0.40 1.26 -0.42 0.00 -0.96 0.00 0.00 56.93 57.21 1a4c s PHE 114 Cb 0.22 -3.93 -0.19 0.00 -0.34 0.00 0.00 43.02 38.77 1a4c s PHE 114 CO 0.29 -3.00 1.35 -2.30 -1.46 0.00 0.00 175.22 170.10 1a4c n PRO 115 N -0.26 0.25 0.00 10.12 -0.02 -1.26 -0.95 135.00 142.88 1a4c n PRO 115 Ca 0.05 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1a4c n PRO 115 Cb 0.42 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1a4c n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4c n GLY 116 N 2.72 2.98 0.09 -1.23 0.00 -1.26 -4.86 105.19 103.62 1a4c n GLY 116 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1a4c n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1a4c h HIS 117 N 0.00 0.00 -0.71 1.61 3.86 -1.30 -3.42 115.15 115.20 1a4c h HIS 117 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1a4c h HIS 117 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1a4c h HIS 117 CO 0.00 0.85 0.47 0.11 0.86 0.00 0.00 177.93 180.22 1a4c h TRP 118 N 0.00 0.49 0.00 2.45 5.08 -1.39 0.47 115.95 123.04 1a4c h TRP 118 Ca -0.01 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1a4c h TRP 118 Cb 1.62 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.62 1a4c h TRP 118 CO 0.00 0.21 -0.55 0.00 -1.28 0.00 0.00 178.44 176.81 1a4c n ALA 119 N -2.51 2.92 -0.09 0.11 0.00 -1.26 -4.30 120.51 115.38 1a4c n ALA 119 Ca 0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1a4c n ALA 119 Cb 0.46 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1a4c n ALA 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a4c n MET 120 N -2.05 0.43 -3.02 0.00 2.81 -0.68 -4.82 117.12 109.79 1a4c n MET 120 Ca 0.04 0.10 -0.45 0.00 -1.81 0.00 0.00 57.70 55.58 1a4c n MET 120 Cb 0.43 -1.34 -0.02 0.00 -0.71 0.00 0.00 33.22 31.58 1a4c n MET 120 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1a4c s HIS 121 N -2.34 3.30 0.31 2.03 5.04 0.07 -4.69 115.29 119.01 1a4c s HIS 121 Ca -0.23 -1.60 -0.10 0.00 -1.54 0.00 0.00 55.06 51.59 1a4c s HIS 121 Cb 0.06 -4.18 0.01 0.00 0.04 0.00 0.00 32.58 28.51 1a4c s HIS 121 CO 0.39 -1.37 0.56 -1.59 -2.34 0.00 0.00 174.74 170.39 1a4c s LYS 122 N 2.00 1.84 0.02 2.88 0.00 -1.26 -0.79 119.74 124.43 1a4c s LYS 122 Ca 0.30 -1.45 -0.10 0.00 0.00 0.00 0.00 55.97 54.72 1a4c s LYS 122 Cb -0.06 0.50 0.03 0.00 0.00 0.00 0.00 37.83 38.31 1a4c s LYS 122 CO -0.09 -0.79 0.45 0.41 0.00 0.00 0.00 175.35 175.33 1a4c n GLY 123 N -0.48 0.67 3.08 0.59 0.00 0.96 -4.73 105.19 105.29 1a4c n GLY 123 Ca -0.02 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1a4c n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4c s THR 124 N -2.20 1.06 0.06 2.61 2.01 -0.34 -1.46 115.64 117.38 1a4c s THR 124 Ca 0.10 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.65 1a4c s THR 124 Cb -0.01 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1a4c s THR 124 CO 0.01 0.31 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.77 1a4c s LEU 125 N -0.11 2.20 0.02 4.42 0.20 0.15 -0.09 118.68 125.48 1a4c s LEU 125 Ca 0.01 -0.62 -0.06 0.00 0.69 0.00 0.00 54.13 54.15 1a4c s LEU 125 Cb -0.07 -1.24 -0.00 0.00 -0.43 0.00 0.00 46.19 44.44 1a4c s LEU 125 CO 0.00 0.23 0.12 -0.54 -0.29 0.00 0.00 176.35 175.87 1a4c s LYS 126 N -1.40 0.54 0.42 1.98 1.02 -0.13 -0.91 119.74 121.26 1a4c s LYS 126 Ca 0.12 -0.58 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 1a4c s LYS 126 Cb -0.10 0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 37.33 1a4c s LYS 126 CO 0.03 -0.13 0.97 -1.17 -0.92 0.00 0.00 175.35 174.12 1a4c s LEU 127 N -1.76 4.00 -0.04 3.17 2.96 -1.26 -0.75 118.68 125.00 1a4c s LEU 127 Ca -0.10 1.77 -0.18 0.00 -0.22 0.00 0.00 54.13 55.40 1a4c s LEU 127 Cb -0.04 -4.45 -0.09 0.00 0.50 0.00 0.00 46.19 42.11 1a4c s LEU 127 CO -0.02 -0.38 0.51 -1.20 -1.32 0.00 0.00 176.35 173.94 1a4c n SER 128 N -0.48 0.09 0.00 3.68 7.64 0.21 -4.24 113.62 120.52 1a4c n SER 128 Ca 0.06 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1a4c n SER 128 Cb 0.53 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1a4c n SER 128 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62