#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 -2.21 0.00 7.27 -1.26 -3.48 117.38 117.70 1a4c n GLN 2 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1a4c n GLN 2 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 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 -3.61 0.86 -0.05 0.00 4.04 -1.23 -1.26 118.70 117.44 1a4c s GLU 4 Ca 0.50 -0.30 -0.13 0.00 0.04 0.00 0.00 54.97 55.08 1a4c s GLU 4 Cb 0.41 0.38 0.03 0.00 0.02 0.00 0.00 34.13 34.97 1a4c s GLU 4 CO -0.11 -0.28 0.31 0.00 -1.84 0.00 0.00 175.26 173.35 1a4c s ALA 5 N -2.14 -0.78 -0.14 -0.84 0.00 0.43 -4.89 121.76 113.40 1a4c s ALA 5 Ca -0.07 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 1a4c s ALA 5 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1a4c s ALA 5 CO -0.00 -0.22 -0.02 0.99 0.00 0.00 0.00 175.76 176.51 1a4c s THR 6 N -0.77 4.11 -0.04 0.00 2.01 -1.26 -0.54 115.64 119.16 1a4c s THR 6 Ca -0.09 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1a4c s THR 6 Cb -0.04 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1a4c s THR 6 CO 0.03 0.52 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.82 1a4c s ILE 7 N 0.05 1.22 -0.00 1.82 2.07 -0.13 -4.91 121.20 121.31 1a4c s ILE 7 Ca 0.01 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.71 1a4c s ILE 7 Cb -0.13 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 1a4c s ILE 7 CO 0.02 0.36 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.68 1a4c s GLU 8 N 0.16 2.39 -0.04 3.50 2.02 -1.26 -0.88 118.70 124.59 1a4c s GLU 8 Ca -0.05 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.19 1a4c s GLU 8 Cb -0.11 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1a4c s GLU 8 CO 0.02 0.59 -0.15 -1.12 0.02 0.00 0.00 175.26 174.62 1a4c s SER 9 N -1.23 1.95 0.00 -0.19 0.01 0.44 -2.12 113.70 112.56 1a4c s SER 9 Ca 0.15 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1a4c s SER 9 Cb -0.11 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1a4c s SER 9 CO 0.05 0.12 0.00 -0.46 0.41 0.00 0.00 173.24 173.36 1a4c n ASN 10 N 3.28 0.00 -0.68 2.44 0.23 -1.25 -0.47 115.26 118.81 1a4c n ASN 10 Ca -0.19 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.95 1a4c n ASN 10 Cb 0.53 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.46 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 3.49 -4.30 0.53 8.00 -1.26 -4.29 116.55 118.72 1a4c n ASP 11 Ca 0.00 -3.03 -0.28 0.00 0.71 0.00 0.00 54.79 52.19 1a4c n ASP 11 Cb 0.00 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 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 -2.83 2.04 -1.40 2.24 0.00 -1.26 -5.04 121.76 115.51 1a4c s ALA 12 Ca 0.40 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1a4c s ALA 12 Cb 0.33 -0.42 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1a4c s ALA 12 CO 0.07 0.47 2.08 -1.33 0.00 0.00 0.00 175.76 177.06 1a4c n MET 13 N 1.79 3.05 -3.74 0.00 0.00 -1.26 -4.80 117.12 112.15 1a4c n MET 13 Ca -0.17 -2.89 -0.12 0.00 0.00 0.00 0.00 57.70 54.52 1a4c n MET 13 Cb 0.53 -3.25 -0.12 0.00 0.00 0.00 0.00 33.22 30.38 1a4c n MET 13 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 1a4c s GLN 14 N 2.79 0.30 0.50 0.03 -2.07 -1.26 -4.68 119.66 115.27 1a4c s GLN 14 Ca 0.46 0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 54.35 1a4c s GLN 14 Cb 0.11 0.02 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 1a4c s GLN 14 CO -0.05 -0.11 0.99 0.71 -1.32 0.00 0.00 175.29 175.51 1a4c s TYR 15 N 0.81 3.35 -1.57 9.60 2.02 -1.26 -3.83 117.35 126.48 1a4c s TYR 15 Ca -0.05 1.51 0.27 0.00 -0.37 0.00 0.00 57.07 58.42 1a4c s TYR 15 Cb -0.06 -2.84 1.41 0.00 -0.40 0.00 0.00 41.96 40.06 1a4c s TYR 15 CO -0.05 -0.41 1.92 -0.40 -1.57 0.00 0.00 175.55 175.03 1a4c n ASP 16 N -1.40 0.00 -4.13 2.29 5.75 -0.90 -4.81 116.55 113.35 1a4c n ASP 16 Ca 0.07 -0.28 -0.21 0.00 -0.01 0.00 0.00 54.79 54.37 1a4c n ASP 16 Cb 0.54 -0.22 -0.14 0.00 -1.03 0.00 0.00 41.12 40.27 1a4c n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1a4c s LEU 17 N -2.43 2.12 0.00 -2.12 1.43 -1.26 -5.03 118.68 111.38 1a4c s LEU 17 Ca 0.29 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1a4c s LEU 17 Cb 0.18 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.77 1a4c s LEU 17 CO 0.38 0.09 0.53 0.29 0.23 0.00 0.00 176.35 177.86 1a4c n LYS 18 N 2.21 1.65 -3.75 1.70 4.01 -1.26 -4.96 118.16 117.76 1a4c n LYS 18 Ca -0.17 -0.56 -0.13 0.00 -0.51 0.00 0.00 58.31 56.94 1a4c n LYS 18 Cb 0.55 -0.99 -0.13 0.00 -0.51 0.00 0.00 35.03 33.95 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 -0.82 0.16 -0.13 1.97 0.41 -1.25 -2.25 118.70 116.79 1a4c s GLU 19 Ca 0.05 0.41 0.01 0.00 -0.41 0.00 0.00 54.97 55.03 1a4c s GLU 19 Cb 0.04 -0.09 0.02 0.00 -1.78 0.00 0.00 34.13 32.32 1a4c s GLU 19 CO 0.12 -0.13 -0.17 -1.64 -0.49 0.00 0.00 175.26 172.95 1a4c s MET 20 N 0.97 2.43 -0.17 1.61 -1.94 -0.33 -4.99 119.30 116.89 1a4c s MET 20 Ca -0.07 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1a4c s MET 20 Cb -0.09 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 1a4c s MET 20 CO -0.06 -0.10 -0.02 0.08 -0.01 0.00 0.00 175.02 174.91 1a4c s VAL 21 N 1.09 3.96 -0.24 -6.03 1.01 -1.26 -1.87 120.40 117.07 1a4c s VAL 21 Ca -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1a4c s VAL 21 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1a4c s VAL 21 CO -0.04 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.04 1a4c s VAL 22 N 0.54 5.33 0.29 2.92 1.01 0.31 -4.93 120.40 125.87 1a4c s VAL 22 Ca -0.02 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1a4c s VAL 22 Cb -0.14 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1a4c s VAL 22 CO 0.02 0.32 1.07 -0.62 0.00 0.00 0.00 175.10 175.89 1a4c s ASP 23 N 1.15 7.26 0.66 3.32 2.15 -1.26 -0.54 116.67 129.41 1a4c s ASP 23 Ca 0.09 2.20 0.43 0.00 0.43 0.00 0.00 52.55 55.70 1a4c s ASP 23 Cb -0.14 -2.62 2.35 0.00 -0.30 0.00 0.00 42.92 42.21 1a4c s ASP 23 CO 0.06 -0.14 2.35 0.11 -0.17 0.00 0.00 175.17 177.38 1a4c h LYS 24 N 3.71 0.00 -0.14 4.34 1.57 -1.93 -1.42 116.57 122.70 1a4c h LYS 24 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 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 0.67 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 1a4c n SER 25 N -3.17 1.16 -4.72 0.86 3.41 -1.26 -4.85 113.62 105.06 1a4c n SER 25 Ca -0.03 -1.71 -0.39 0.00 -0.26 0.00 0.00 58.87 56.47 1a4c n SER 25 Cb 0.08 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 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 6.69 0.03 -5.19 0.00 1.57 -1.89 -3.43 116.57 114.35 1a4c h LYS 27 Ca -0.41 -0.05 -0.39 0.00 -1.87 0.00 0.00 60.65 57.93 1a4c h LYS 27 Cb 1.19 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.30 1a4c h LYS 27 CO 0.75 0.73 -0.77 -0.65 -0.57 0.00 0.00 179.45 178.94 1a4c s GLN 28 N -2.64 0.78 0.05 3.15 -0.21 -1.26 -1.25 119.66 118.29 1a4c s GLN 28 Ca -0.04 -0.87 0.06 0.00 0.02 0.00 0.00 55.36 54.53 1a4c s GLN 28 Cb 0.09 -0.75 -0.02 0.00 1.00 0.00 0.00 33.01 33.32 1a4c s GLN 28 CO 0.82 0.17 -0.18 0.12 -2.12 0.00 0.00 175.29 174.11 1a4c s PHE 29 N -1.20 1.53 -0.04 0.91 5.36 0.12 -4.77 117.98 119.88 1a4c s PHE 29 Ca -0.03 -0.37 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 1a4c s PHE 29 Cb -0.09 -0.90 -0.01 0.00 -0.34 0.00 0.00 43.02 41.68 1a4c s PHE 29 CO 0.02 0.08 -0.18 0.99 -1.46 0.00 0.00 175.22 174.67 1a4c s THR 30 N -0.87 1.46 -0.07 0.12 2.01 -0.39 -1.04 115.64 116.86 1a4c s THR 30 Ca 0.04 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1a4c s THR 30 Cb -0.09 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1a4c s THR 30 CO 0.02 0.42 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 1a4c s VAL 31 N -0.04 2.89 -0.30 3.82 1.01 -0.30 -0.43 120.40 127.05 1a4c s VAL 31 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1a4c s VAL 31 Cb -0.11 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1a4c s VAL 31 CO 0.02 0.57 -0.03 -1.00 0.00 0.00 0.00 175.10 174.66 1a4c s HIS 32 N -0.42 3.45 -0.00 5.22 3.76 0.30 -2.16 115.29 125.44 1a4c s HIS 32 Ca 0.05 -2.62 -0.25 0.00 -0.15 0.00 0.00 55.06 52.08 1a4c s HIS 32 Cb -0.12 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1a4c s HIS 32 CO 0.02 -0.91 0.78 -1.17 -0.85 0.00 0.00 174.74 172.61 1a4c s LEU 33 N 1.02 4.39 -0.10 0.89 2.96 0.84 -0.96 118.68 127.72 1a4c s LEU 33 Ca 0.01 1.39 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1a4c s LEU 33 Cb -0.19 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1a4c s LEU 33 CO -0.07 -0.08 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.10 1a4c s LYS 34 N 0.45 3.03 -0.66 1.98 1.02 -0.06 -0.91 119.74 124.59 1a4c s LYS 34 Ca 0.41 -0.87 -0.15 0.00 0.02 0.00 0.00 55.97 55.38 1a4c s LYS 34 Cb -0.20 -2.29 0.17 0.00 -0.52 0.00 0.00 37.83 34.99 1a4c s LYS 34 CO 0.22 0.18 0.61 -1.58 -0.92 0.00 0.00 175.35 173.86 1a4c s HIS 35 N 0.34 3.48 -0.14 3.18 5.65 -0.06 -0.42 115.29 127.32 1a4c s HIS 35 Ca -0.19 -1.65 0.00 0.00 0.25 0.00 0.00 55.06 53.48 1a4c s HIS 35 Cb -0.18 -3.78 0.15 0.00 -1.18 0.00 0.00 32.58 27.59 1a4c s HIS 35 CO 0.09 -1.00 1.53 1.33 -0.65 0.00 0.00 174.74 176.04 1a4c n VAL 36 N 4.65 1.89 -3.82 0.89 0.24 0.38 -0.85 118.33 121.71 1a4c n VAL 36 Ca -0.01 -0.73 -0.24 0.00 -2.04 0.00 0.00 64.34 61.32 1a4c n VAL 36 Cb 0.43 -1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 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 0.65 2.27 0.00 7.63 0.00 -1.24 -4.77 107.32 111.86 1a4c s GLY 37 Ca 0.15 -1.72 0.10 0.00 0.00 0.00 0.00 44.72 43.26 1a4c s GLY 37 CO 0.02 -1.84 0.73 0.28 0.00 0.00 0.00 173.10 172.29 1a4c n LYS 38 N -1.55 1.34 -3.17 2.90 4.01 -1.26 -1.85 118.16 118.57 1a4c n LYS 38 Ca 0.01 -0.85 -0.30 0.00 -0.51 0.00 0.00 58.31 56.65 1a4c n LYS 38 Cb 0.63 -1.14 -0.04 0.00 -0.51 0.00 0.00 35.03 33.98 1a4c n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1a4c s MET 39 N -1.15 3.71 0.83 1.97 -1.94 -1.26 -4.78 119.30 116.68 1a4c s MET 39 Ca 0.10 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.20 1a4c s MET 39 Cb 0.09 -2.55 0.09 0.00 2.01 0.00 0.00 34.83 34.46 1a4c s MET 39 CO 0.20 0.14 1.10 0.00 -0.01 0.00 0.00 175.02 176.44 1a4c s ALA 40 N -2.15 1.93 0.41 3.03 0.00 -1.26 -1.01 121.76 122.71 1a4c s ALA 40 Ca 0.47 0.26 0.17 0.00 0.00 0.00 0.00 51.96 52.86 1a4c s ALA 40 Cb -0.11 -3.29 1.02 0.00 0.00 0.00 0.00 23.12 20.75 1a4c s ALA 40 CO 0.29 -2.09 1.95 1.57 0.00 0.00 0.00 175.76 177.48 1a4c h LYS 41 N -1.37 0.00 -0.20 0.00 2.10 -1.83 -0.89 116.57 114.37 1a4c h LYS 41 Ca -0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1a4c h LYS 41 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1a4c h LYS 41 CO 0.50 0.23 0.12 0.66 -2.00 0.00 0.00 179.45 178.96 1a4c h SER 42 N 0.00 0.24 0.07 7.07 4.64 -1.95 0.15 113.55 123.76 1a4c h SER 42 Ca -0.00 -0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 1a4c h SER 42 Cb 0.44 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1a4c h SER 42 CO 0.03 0.18 -2.07 0.00 -0.87 0.00 0.00 176.83 174.10 1a4c n ALA 43 N -2.51 1.04 -2.90 5.18 0.00 -0.83 -4.79 120.51 115.71 1a4c n ALA 43 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1a4c n ALA 43 Cb 0.08 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.61 1.04 -1.92 0.00 0.00 -0.40 -5.01 117.12 107.22 1a4c n MET 44 Ca -0.38 -2.76 -0.33 0.00 -0.00 0.00 0.00 57.70 54.23 1a4c n MET 44 Cb 0.97 -1.23 0.03 0.00 0.00 0.00 0.00 33.22 33.00 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 -2.08 2.26 0.04 -5.12 0.00 0.51 -4.65 107.32 98.27 1a4c s GLY 45 Ca 0.30 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 1a4c s GLY 45 CO -0.05 0.94 -0.01 0.30 0.00 0.00 0.00 173.10 174.28 1a4c s HIS 46 N -2.22 0.37 0.37 1.90 3.76 -0.75 -4.86 115.29 113.86 1a4c s HIS 46 Ca 0.68 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 1a4c s HIS 46 Cb -0.21 -0.27 0.02 0.00 1.11 0.00 0.00 32.58 33.23 1a4c s HIS 46 CO 0.37 -0.31 0.58 0.27 -0.85 0.00 0.00 174.74 174.80 1a4c n ASN 47 N 0.74 -1.64 -3.89 1.40 0.23 -1.26 -0.87 115.26 109.97 1a4c n ASN 47 Ca -0.18 -2.86 -0.23 0.00 -0.53 0.00 0.00 54.58 50.78 1a4c n ASN 47 Cb 0.59 2.95 -0.17 0.00 -2.08 0.00 0.00 39.78 41.06 1a4c n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1a4c s TRP 48 N -2.67 1.01 -0.02 -2.53 -0.00 -1.26 -4.02 118.94 109.46 1a4c s TRP 48 Ca 0.26 -0.37 0.06 0.00 -0.00 0.00 0.00 56.10 56.05 1a4c s TRP 48 Cb -0.02 -0.89 -0.01 0.00 -0.00 0.00 0.00 33.47 32.54 1a4c s TRP 48 CO 0.19 -0.31 -0.20 0.08 -0.00 0.00 0.00 176.95 176.71 1a4c s VAL 49 N 1.31 1.56 -0.12 5.86 1.01 0.93 -0.86 120.40 130.10 1a4c s VAL 49 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1a4c s VAL 49 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1a4c s VAL 49 CO -0.03 0.44 -0.16 -0.22 0.00 0.00 0.00 175.10 175.14 1a4c s LEU 50 N -0.42 2.57 0.24 3.92 2.96 -0.23 -1.09 118.68 126.62 1a4c s LEU 50 Ca 0.07 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1a4c s LEU 50 Cb -0.08 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1a4c s LEU 50 CO -0.00 0.17 0.24 0.42 -1.32 0.00 0.00 176.35 175.86 1a4c s THR 51 N 0.29 0.00 0.39 3.68 -4.23 -0.13 -1.39 115.64 114.24 1a4c s THR 51 Ca -0.12 -1.87 -0.25 0.00 -1.18 0.00 0.00 61.69 58.27 1a4c s THR 51 Cb -0.16 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 1a4c s THR 51 CO 0.06 0.00 1.13 -0.54 -0.54 0.00 0.00 174.62 174.73 1a4c s LYS 52 N -3.93 4.15 0.51 3.99 1.02 -1.26 -0.57 119.74 123.65 1a4c s LYS 52 Ca 0.36 1.75 0.29 0.00 0.02 0.00 0.00 55.97 58.39 1a4c s LYS 52 Cb 0.04 -2.70 1.41 0.00 -0.52 0.00 0.00 37.83 36.06 1a4c s LYS 52 CO 0.15 -0.21 1.87 1.49 -0.92 0.00 0.00 175.35 177.72 1a4c h GLU 53 N 2.74 0.09 0.00 1.68 4.81 -1.84 0.99 114.58 123.04 1a4c h GLU 53 Ca -0.48 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.57 1a4c h GLU 53 Cb 1.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1a4c h GLU 53 CO 0.63 0.06 -0.79 0.00 -0.73 0.00 0.00 179.01 178.17 1a4c h ALA 54 N 1.55 0.56 0.00 2.92 0.00 -1.91 -3.28 119.26 119.10 1a4c h ALA 54 Ca 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a4c h ALA 54 Cb 1.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1a4c h ALA 54 CO -0.05 0.99 0.00 -0.25 0.00 0.00 0.00 179.25 179.94 1a4c n ASP 55 N -3.41 0.00 -0.05 0.00 8.00 0.34 -4.27 116.55 117.16 1a4c n ASP 55 Ca 0.00 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 1a4c n ASP 55 Cb 0.82 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.33 -0.38 -1.24 3.64 -1.61 -1.47 116.57 115.19 1a4c h LYS 56 Ca 0.00 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1a4c h LYS 56 Cb 0.41 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1a4c h LYS 56 CO 0.00 -0.22 -0.03 1.49 -2.27 0.00 0.00 179.45 178.42 1a4c h GLU 57 N -0.34 0.69 -0.48 1.90 4.81 -1.86 -0.50 114.58 118.80 1a4c h GLU 57 Ca 0.13 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1a4c h GLU 57 Cb 0.54 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1a4c h GLU 57 CO -0.43 0.81 0.07 0.78 -0.73 0.00 0.00 179.01 179.51 1a4c h GLY 58 N 0.50 0.56 1.14 1.92 0.00 -1.74 0.35 103.07 105.80 1a4c h GLY 58 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 1a4c h GLY 58 CO 0.03 -0.08 -0.29 -2.08 0.00 0.00 0.00 176.54 174.11 1a4c h VAL 59 N 0.20 1.27 -0.61 4.60 2.07 -1.16 -1.99 116.25 120.63 1a4c h VAL 59 Ca 0.24 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 1a4c h VAL 59 Cb 0.33 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1a4c h VAL 59 CO -0.34 0.50 0.03 0.00 0.02 0.00 0.00 177.57 177.79 1a4c h ALA 60 N 0.85 0.82 0.19 1.67 0.00 -0.34 -0.32 119.26 122.12 1a4c h ALA 60 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1a4c h ALA 60 Cb 0.88 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1a4c h ALA 60 CO 0.08 0.63 -0.09 1.15 0.00 0.00 0.00 179.25 181.02 1a4c h THR 61 N 0.96 0.89 0.00 0.00 2.02 -0.74 -0.52 112.91 115.52 1a4c h THR 61 Ca 0.18 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1a4c h THR 61 Cb 0.52 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1a4c h THR 61 CO 0.02 0.09 -0.02 0.44 0.37 0.00 0.00 175.52 176.43 1a4c h ASP 62 N -0.44 0.00 0.51 4.18 3.32 -1.36 -1.41 116.42 121.22 1a4c h ASP 62 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1a4c h ASP 62 Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 1a4c h ASP 62 CO 0.04 0.02 -0.25 1.23 -1.72 0.00 0.00 179.24 178.57 1a4c h GLY 63 N 0.49 -0.72 0.40 2.75 0.00 -0.20 -1.36 103.07 104.44 1a4c h GLY 63 Ca -0.00 0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.77 1a4c h GLY 63 CO 0.00 -0.26 0.58 1.98 0.00 0.00 0.00 176.54 178.85 1a4c h MET 64 N -0.89 0.57 0.00 4.80 1.85 -0.54 0.24 114.93 120.97 1a4c h MET 64 Ca -0.07 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1a4c h MET 64 Cb 0.53 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.43 1a4c h MET 64 CO 0.12 0.38 0.00 -0.91 -0.40 0.00 0.00 176.91 176.09 1a4c h ASN 65 N 0.59 0.00 0.97 1.39 2.35 -1.27 -3.06 115.58 116.55 1a4c h ASN 65 Ca 0.47 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.06 1a4c h ASN 65 Cb 0.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1a4c h ASN 65 CO -0.21 0.00 -0.75 0.00 -1.65 0.00 0.00 177.43 174.82 1a4c h ALA 66 N 2.04 0.63 0.00 -0.83 0.00 0.67 -3.51 119.26 118.27 1a4c h ALA 66 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1a4c h ALA 66 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a4c h ALA 66 CO 0.00 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1a4c n GLY 67 N 0.93 -0.62 0.30 0.00 0.00 -1.05 -4.24 105.19 100.50 1a4c n GLY 67 Ca 0.00 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.04 -2.23 0.99 5.85 -1.89 0.49 115.31 118.55 1a4c h LEU 68 Ca 0.00 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1a4c h LEU 68 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1a4c h LEU 68 CO 0.00 -0.09 -0.02 0.00 -0.34 0.00 0.00 178.44 177.99 1a4c h ALA 69 N 1.71 1.04 -0.56 1.25 0.00 -2.01 0.15 119.26 120.85 1a4c h ALA 69 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1a4c h ALA 69 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a4c h ALA 69 CO -0.59 0.02 0.00 1.04 0.00 0.00 0.00 179.25 179.72 1a4c n GLN 70 N -3.16 4.82 -2.43 0.00 6.02 0.10 -4.90 117.38 117.84 1a4c n GLN 70 Ca -0.01 -3.16 -0.14 0.00 -0.01 0.00 0.00 57.00 53.68 1a4c n GLN 70 Cb 0.19 -2.25 -0.01 0.00 1.02 0.00 0.00 30.24 29.19 1a4c n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1a4c n ASP 71 N 0.56 -4.30 -4.06 1.08 8.00 0.53 -1.47 116.55 116.89 1a4c n ASP 71 Ca 0.28 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.61 1a4c n ASP 71 Cb 1.19 -3.64 -0.00 0.00 -0.02 0.00 0.00 41.12 38.65 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 -3.50 -1.95 -4.16 1.24 4.01 -0.85 -4.60 117.16 107.35 1a4c n TYR 72 Ca -0.17 0.83 -0.16 0.00 -0.16 0.00 0.00 57.90 58.25 1a4c n TYR 72 Cb 0.63 -3.47 -0.14 0.00 -0.31 0.00 0.00 39.34 36.04 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 -3.38 0.42 -0.13 -0.72 1.01 -0.54 -4.27 120.40 112.79 1a4c s VAL 73 Ca 0.60 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1a4c s VAL 73 Cb -0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1a4c s VAL 73 CO 0.88 0.12 1.45 -0.75 0.00 0.00 0.00 175.10 176.80 1a4c s LYS 74 N -0.12 4.18 -0.04 2.72 2.20 -1.26 -4.84 119.74 122.58 1a4c s LYS 74 Ca 0.02 1.87 -0.37 0.00 -0.36 0.00 0.00 55.97 57.14 1a4c s LYS 74 Cb -0.02 -3.88 -0.15 0.00 -1.51 0.00 0.00 37.83 32.27 1a4c s LYS 74 CO -0.00 -0.81 1.60 0.00 -0.36 0.00 0.00 175.35 175.77 1a4c n ALA 75 N 6.97 0.04 -1.94 3.13 0.00 -1.26 -1.64 120.51 125.81 1a4c n ALA 75 Ca 0.16 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 1a4c n ALA 75 Cb 0.44 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 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 3.51 0.32 3.63 0.00 0.00 -1.26 -4.95 105.19 106.45 1a4c n GLY 76 Ca 0.21 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.62 6.57 0.53 1.61 -1.08 -0.65 -4.89 116.67 116.15 1a4c s ASP 77 Ca 0.00 1.41 0.33 0.00 -0.52 0.00 0.00 52.55 53.77 1a4c s ASP 77 Cb 0.00 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.73 1a4c s ASP 77 CO 0.00 -1.13 2.01 0.71 0.52 0.00 0.00 175.17 177.28 1a4c h THR 78 N 6.00 0.00 -0.00 1.71 1.35 -1.92 -1.18 112.91 118.87 1a4c h THR 78 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1a4c h THR 78 Cb 1.12 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1a4c h THR 78 CO 1.02 0.00 -0.23 0.54 -0.25 0.00 0.00 175.52 176.59 1a4c n ARG 79 N -2.71 0.29 -3.19 4.72 1.74 -1.26 -4.75 116.66 111.50 1a4c n ARG 79 Ca -0.02 -0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.52 1a4c n ARG 79 Cb 0.12 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.79 4.96 0.17 1.55 1.01 -0.45 -4.41 120.40 120.44 1a4c s VAL 80 Ca 0.19 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1a4c s VAL 80 Cb 0.19 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1a4c s VAL 80 CO 0.57 -0.32 1.40 0.40 0.00 0.00 0.00 175.10 177.16 1a4c h ILE 81 N 5.68 1.41 -1.45 2.22 2.04 -1.52 -3.48 117.51 122.41 1a4c h ILE 81 Ca -0.27 -2.31 0.11 0.00 1.00 0.00 0.00 64.86 63.40 1a4c h ILE 81 Cb 1.12 2.25 -0.25 0.00 -0.74 0.00 0.00 36.82 39.20 1a4c h ILE 81 CO 0.81 0.69 0.63 0.00 0.00 0.00 0.00 178.15 180.27 1a4c s ALA 82 N -3.45 -1.98 0.05 1.87 0.00 -1.24 -4.98 121.76 112.03 1a4c s ALA 82 Ca -0.05 1.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.43 1a4c s ALA 82 Cb 0.10 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1a4c s ALA 82 CO 0.84 -0.28 0.37 -3.38 0.00 0.00 0.00 175.76 173.31 1a4c s HIS 83 N -0.90 -0.20 0.23 0.00 -3.43 -1.26 -1.07 115.29 108.67 1a4c s HIS 83 Ca 0.01 0.10 0.01 0.00 -0.80 0.00 0.00 55.06 54.39 1a4c s HIS 83 Cb -0.01 0.18 0.04 0.00 -1.43 0.00 0.00 32.58 31.36 1a4c s HIS 83 CO -0.02 -0.56 0.32 0.25 -2.00 0.00 0.00 174.74 172.73 1a4c n THR 84 N 0.46 0.00 -2.52 -5.38 -2.24 -0.04 -4.79 114.28 99.76 1a4c n THR 84 Ca -0.18 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.73 1a4c n THR 84 Cb 0.60 -1.04 0.02 0.00 -2.10 0.00 0.00 70.33 67.81 1a4c n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a4c s LYS 85 N -3.15 3.15 -0.24 -0.78 1.02 -1.26 -4.66 119.74 113.82 1a4c s LYS 85 Ca 0.22 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.95 1a4c s LYS 85 Cb -0.01 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1a4c s LYS 85 CO 0.14 -0.49 1.11 0.08 -0.92 0.00 0.00 175.35 175.27 1a4c s VAL 86 N -2.87 4.53 0.33 3.17 1.01 -1.26 -4.35 120.40 120.96 1a4c s VAL 86 Ca 0.51 1.83 0.09 0.00 0.00 0.00 0.00 61.98 64.40 1a4c s VAL 86 Cb -0.10 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1a4c s VAL 86 CO 0.45 -0.25 0.06 0.27 0.00 0.00 0.00 175.10 175.62 1a4c s ILE 87 N 3.43 2.84 0.50 2.22 -4.36 -0.05 -4.86 121.20 120.92 1a4c s ILE 87 Ca 0.47 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 1a4c s ILE 87 Cb -0.16 -2.87 0.04 0.00 1.25 0.00 0.00 42.46 40.72 1a4c s ILE 87 CO 0.11 -0.21 0.30 0.61 0.24 0.00 0.00 174.94 175.99 1a4c n GLY 88 N -1.02 2.94 3.72 6.27 0.00 -1.26 -1.81 105.19 114.04 1a4c n GLY 88 Ca -0.04 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.97 1.17 2.21 -0.02 0.00 -0.18 -2.14 105.19 105.26 1a4c n GLY 89 Ca -0.06 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 2.13 0.88 3.69 -0.02 0.00 -0.03 -4.90 105.19 106.94 1a4c n GLY 90 Ca 0.09 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.46 2.16 0.04 1.61 2.02 -0.91 -4.96 118.70 116.20 1a4c s GLU 91 Ca 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 54.97 53.16 1a4c s GLU 91 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1a4c s GLU 91 CO 0.00 -0.00 -0.01 -1.54 0.02 0.00 0.00 175.26 173.73 1a4c s SER 92 N -3.81 0.38 -0.03 -0.19 1.04 -1.26 -0.89 113.70 108.95 1a4c s SER 92 Ca 0.38 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.78 1a4c s SER 92 Cb 0.03 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1a4c s SER 92 CO 0.21 -0.53 0.44 -0.62 0.98 0.00 0.00 173.24 173.72 1a4c s ASP 93 N -2.51 -0.36 0.08 7.02 2.15 -0.09 -4.98 116.67 117.99 1a4c s ASP 93 Ca 0.01 0.32 0.07 0.00 0.43 0.00 0.00 52.55 53.37 1a4c s ASP 93 Cb 0.03 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 1a4c s ASP 93 CO -0.08 -0.50 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.80 1a4c s SER 94 N -1.26 2.27 -0.00 -0.34 0.01 -1.26 -0.11 113.70 113.00 1a4c s SER 94 Ca -0.12 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.52 1a4c s SER 94 Cb -0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1a4c s SER 94 CO 0.06 0.04 -0.08 0.54 0.41 0.00 0.00 173.24 174.21 1a4c s VAL 95 N -1.13 0.62 -0.04 3.43 0.11 -0.92 -4.93 120.40 117.55 1a4c s VAL 95 Ca 0.04 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1a4c s VAL 95 Cb -0.10 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1a4c s VAL 95 CO 0.03 0.15 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.82 1a4c s THR 96 N -0.25 1.94 0.05 5.04 2.01 -1.26 -1.15 115.64 122.02 1a4c s THR 96 Ca 0.02 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 1a4c s THR 96 Cb -0.03 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1a4c s THR 96 CO -0.00 0.54 0.08 0.72 -0.69 0.00 0.00 174.62 175.27 1a4c s PHE 97 N -0.35 0.28 -0.21 4.92 -0.71 -0.21 -4.97 117.98 116.74 1a4c s PHE 97 Ca 0.03 -0.68 -0.29 0.00 -1.04 0.00 0.00 56.93 54.95 1a4c s PHE 97 Cb -0.11 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 1a4c s PHE 97 CO 0.01 -0.41 1.46 0.34 -1.34 0.00 0.00 175.22 175.28 1a4c s ASP 98 N -2.50 6.63 0.43 1.98 2.15 -1.26 -0.70 116.67 123.39 1a4c s ASP 98 Ca 0.00 1.61 0.30 0.00 0.43 0.00 0.00 52.55 54.89 1a4c s ASP 98 Cb 0.03 -2.54 1.26 0.00 -0.30 0.00 0.00 42.92 41.37 1a4c s ASP 98 CO -0.07 -1.05 1.88 0.58 -0.17 0.00 0.00 175.17 176.33 1a4c h VAL 99 N 5.87 0.00 0.00 1.11 2.07 -1.45 -2.22 116.25 121.63 1a4c h VAL 99 Ca -0.31 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1a4c h VAL 99 Cb 1.13 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1a4c h VAL 99 CO 1.00 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.36 1a4c h SER 100 N 0.00 0.00 0.57 0.57 4.64 -1.90 -0.40 113.55 117.03 1a4c h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a4c h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1a4c h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a4c n LYS 101 N -2.40 0.02 -3.97 4.77 5.02 -0.83 -4.76 118.16 116.01 1a4c n LYS 101 Ca -0.00 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.17 1a4c n LYS 101 Cb 0.14 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.96 4.16 -0.18 -0.35 1.43 -0.16 -5.11 118.68 115.52 1a4c s LEU 102 Ca 0.09 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1a4c s LEU 102 Cb 0.11 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1a4c s LEU 102 CO 0.31 0.18 -0.00 -0.89 0.23 0.00 0.00 176.35 176.18 1a4c s THR 103 N -1.45 4.12 0.03 5.49 2.01 -1.26 -5.07 115.64 119.51 1a4c s THR 103 Ca 0.32 -0.27 -0.35 0.00 0.31 0.00 0.00 61.69 61.71 1a4c s THR 103 Cb -0.13 -2.84 -0.18 0.00 0.01 0.00 0.00 72.50 69.36 1a4c s THR 103 CO 0.25 0.46 0.90 -2.65 -0.69 0.00 0.00 174.62 172.89 1a4c n PRO 104 N 3.79 0.00 0.00 4.92 -0.02 -1.26 -1.95 135.00 140.48 1a4c n PRO 104 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1a4c n PRO 104 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 1.48 2.24 3.77 -1.23 0.00 -1.26 -4.97 105.19 105.22 1a4c n GLY 105 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 4.20 -0.17 1.61 2.12 -0.82 -4.98 118.70 120.67 1a4c s GLU 106 Ca 0.00 1.68 -0.08 0.00 0.36 0.00 0.00 54.97 56.93 1a4c s GLU 106 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1a4c s GLU 106 CO 0.00 -0.15 0.09 0.00 -0.54 0.00 0.00 175.26 174.67 1a4c s ALA 107 N -1.48 3.58 0.26 6.30 0.00 -1.26 -4.41 121.76 124.74 1a4c s ALA 107 Ca 0.55 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.89 1a4c s ALA 107 Cb -0.27 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1a4c s ALA 107 CO 0.34 0.30 0.07 0.71 0.00 0.00 0.00 175.76 177.18 1a4c s TYR 108 N -0.04 2.85 -0.12 0.00 2.02 0.06 -3.38 117.35 118.73 1a4c s TYR 108 Ca 0.08 -0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1a4c s TYR 108 Cb -0.12 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1a4c s TYR 108 CO 0.00 0.58 -0.00 0.00 -1.57 0.00 0.00 175.55 174.56 1a4c s ALA 109 N -2.24 3.21 0.03 3.71 0.00 0.27 -1.68 121.76 125.06 1a4c s ALA 109 Ca 0.32 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1a4c s ALA 109 Cb -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1a4c s ALA 109 CO 0.22 0.41 -0.20 1.52 0.00 0.00 0.00 175.76 177.71 1a4c s TYR 110 N -0.32 2.50 0.23 0.00 -0.85 -0.90 -0.96 117.35 117.05 1a4c s TYR 110 Ca 0.06 -0.30 -0.22 0.00 -0.52 0.00 0.00 57.07 56.10 1a4c s TYR 110 Cb -0.12 -1.47 0.04 0.00 0.38 0.00 0.00 41.96 40.79 1a4c s TYR 110 CO 0.02 0.20 0.69 -0.59 -1.52 0.00 0.00 175.55 174.35 1a4c s PHE 111 N -0.85 -0.31 -0.21 -3.49 -0.71 -0.25 -3.86 117.98 108.30 1a4c s PHE 111 Ca 0.13 -0.05 -0.12 0.00 -1.04 0.00 0.00 56.93 55.85 1a4c s PHE 111 Cb -0.10 0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 42.31 1a4c s PHE 111 CO 0.04 -1.08 0.22 0.00 -1.34 0.00 0.00 175.22 173.06 1a4c n SER 113 N 3.97 2.08 -4.70 0.00 3.41 -1.26 -1.56 113.62 115.56 1a4c n SER 113 Ca -0.14 -1.76 -0.43 0.00 -0.26 0.00 0.00 58.87 56.28 1a4c n SER 113 Cb 0.52 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1a4c n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1a4c n PHE 114 N 0.60 2.58 -1.65 7.33 -0.00 -1.26 -4.22 117.46 120.84 1a4c n PHE 114 Ca 0.17 0.14 -0.61 0.00 -0.00 0.00 0.00 57.45 57.15 1a4c n PHE 114 Cb 0.40 -2.62 -0.08 0.00 -0.00 0.00 0.00 39.48 37.18 1a4c n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1a4c n PRO 115 N 3.64 0.40 0.00 -7.13 -0.02 -1.26 -0.97 135.00 129.66 1a4c n PRO 115 Ca 0.16 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1a4c n PRO 115 Cb 0.33 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 3.09 2.28 0.32 -1.23 0.00 -1.26 -4.82 105.19 103.56 1a4c n GLY 116 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 1.09 -1.01 1.61 3.86 -1.29 -3.07 115.15 116.34 1a4c h HIS 117 Ca 0.00 -0.05 0.15 0.00 -1.16 0.00 0.00 60.37 59.30 1a4c h HIS 117 Cb 0.00 -0.34 -0.09 0.00 1.06 0.00 0.00 27.41 28.04 1a4c h HIS 117 CO 0.00 0.80 0.63 0.11 0.86 0.00 0.00 177.93 180.33 1a4c h TRP 118 N 1.07 1.12 0.00 2.45 5.08 -1.40 -1.81 115.95 122.46 1a4c h TRP 118 Ca 0.26 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.26 1a4c h TRP 118 Cb 0.12 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 25.93 1a4c h TRP 118 CO 0.01 0.37 0.00 0.00 -1.28 0.00 0.00 178.44 177.54 1a4c n ALA 119 N -2.34 2.29 0.14 0.11 0.00 -1.16 -3.53 120.51 116.00 1a4c n ALA 119 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1a4c n ALA 119 Cb 0.44 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.54 1a4c n ALA 119 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1a4c h MET 120 N 0.00 0.00 -4.77 0.00 2.86 -1.39 -3.46 114.93 108.17 1a4c h MET 120 Ca 0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1a4c h MET 120 Cb 0.58 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.09 1a4c h MET 120 CO 0.00 0.60 -0.71 -3.38 1.06 0.00 0.00 176.91 174.48 1a4c s HIS 121 N -3.21 0.98 0.01 -0.22 -3.43 -1.23 -5.07 115.29 103.11 1a4c s HIS 121 Ca 0.01 -0.83 0.05 0.00 -0.80 0.00 0.00 55.06 53.49 1a4c s HIS 121 Cb 0.10 -0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 30.69 1a4c s HIS 121 CO 0.75 -0.08 -0.14 0.21 -2.00 0.00 0.00 174.74 173.48 1a4c s LYS 122 N -3.56 1.09 -0.10 -0.38 2.20 -1.26 -4.91 119.74 112.83 1a4c s LYS 122 Ca 0.11 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 55.03 1a4c s LYS 122 Cb 0.03 -1.08 0.03 0.00 -1.51 0.00 0.00 37.83 35.30 1a4c s LYS 122 CO -0.03 0.29 0.27 0.20 -0.36 0.00 0.00 175.35 175.72 1a4c s GLY 123 N -0.61 -0.20 -0.06 5.54 0.00 -1.25 -4.87 107.32 105.87 1a4c s GLY 123 Ca 0.04 0.81 0.06 0.00 0.00 0.00 0.00 44.72 45.63 1a4c s GLY 123 CO 0.00 0.75 -0.23 -1.59 0.00 0.00 0.00 173.10 172.03 1a4c s THR 124 N 0.31 2.21 -0.07 0.90 2.01 -0.95 -2.12 115.64 117.92 1a4c s THR 124 Ca -0.01 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1a4c s THR 124 Cb -0.03 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1a4c s THR 124 CO -0.01 0.57 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.07 1a4c s LEU 125 N -0.19 2.36 0.06 4.42 0.20 -0.68 -1.19 118.68 123.67 1a4c s LEU 125 Ca -0.03 -0.39 -0.00 0.00 0.69 0.00 0.00 54.13 54.40 1a4c s LEU 125 Cb -0.14 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1a4c s LEU 125 CO 0.03 0.26 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.77 1a4c s LYS 126 N -0.25 0.66 -0.09 1.98 1.02 -0.78 -0.76 119.74 121.51 1a4c s LYS 126 Ca -0.00 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 1a4c s LYS 126 Cb -0.13 0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.19 1a4c s LYS 126 CO 0.03 -0.07 0.27 -1.17 -0.92 0.00 0.00 175.35 173.49 1a4c s LEU 127 N -2.82 4.37 0.00 3.17 2.96 -1.26 -0.53 118.68 124.58 1a4c s LEU 127 Ca 0.06 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1a4c s LEU 127 Cb 0.05 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1a4c s LEU 127 CO -0.07 0.29 0.00 -1.20 -1.32 0.00 0.00 176.35 174.05 1a4c n SER 128 N 2.40 0.00 -0.89 3.68 7.64 0.30 -4.12 113.62 122.63 1a4c n SER 128 Ca -0.16 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.85 1a4c n SER 128 Cb 0.53 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.89 1a4c n SER 128 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62