#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 -2.54 0.00 -0.00 -1.26 -1.26 117.38 112.32 1a4c n GLN 2 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.82 1a4c n GLN 2 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.26 1a4c n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a4c s GLU 4 N -3.39 0.58 -0.01 0.00 2.02 -0.39 -1.13 118.70 116.38 1a4c s GLU 4 Ca 0.39 0.06 -0.08 0.00 0.02 0.00 0.00 54.97 55.36 1a4c s GLU 4 Cb 0.42 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.92 1a4c s GLU 4 CO -0.08 -0.14 0.17 0.00 0.02 0.00 0.00 175.26 175.24 1a4c s ALA 5 N -0.77 -0.42 -0.06 5.21 0.00 -0.39 0.05 121.76 125.38 1a4c s ALA 5 Ca -0.09 0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1a4c s ALA 5 Cb -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1a4c s ALA 5 CO 0.03 -0.20 -0.20 0.99 0.00 0.00 0.00 175.76 176.38 1a4c s THR 6 N -1.12 2.49 0.01 0.00 2.01 -1.26 -0.27 115.64 117.50 1a4c s THR 6 Ca -0.12 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.00 1a4c s THR 6 Cb -0.06 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1a4c s THR 6 CO 0.02 0.57 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.89 1a4c s ILE 7 N -0.27 0.90 -0.03 1.82 2.07 -0.23 -4.94 121.20 120.52 1a4c s ILE 7 Ca 0.00 -0.68 0.07 0.00 -1.41 0.00 0.00 60.65 58.63 1a4c s ILE 7 Cb -0.13 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 1a4c s ILE 7 CO 0.03 0.11 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.31 1a4c s GLU 8 N -0.65 2.12 -0.06 3.50 2.02 -1.26 -0.83 118.70 123.55 1a4c s GLU 8 Ca 0.02 -0.88 0.05 0.00 0.02 0.00 0.00 54.97 54.18 1a4c s GLU 8 Cb -0.06 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 1a4c s GLU 8 CO 0.00 0.49 -0.20 -1.12 0.02 0.00 0.00 175.26 174.45 1a4c s SER 9 N -0.46 2.52 0.00 -0.19 0.01 0.04 -1.99 113.70 113.63 1a4c s SER 9 Ca 0.06 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1a4c s SER 9 Cb -0.11 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1a4c s SER 9 CO 0.00 0.17 0.00 -0.46 0.41 0.00 0.00 173.24 173.36 1a4c n ASN 10 N 3.21 0.00 -0.22 2.44 0.23 -1.21 -0.14 115.26 119.57 1a4c n ASN 10 Ca -0.18 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 0.16 0.00 -2.08 0.00 0.00 39.78 38.38 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 2.24 -4.33 0.53 8.00 -1.26 -4.05 116.55 117.69 1a4c n ASP 11 Ca 0.00 -3.28 -0.25 0.00 0.71 0.00 0.00 54.79 51.97 1a4c n ASP 11 Cb 0.00 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.52 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 -2.96 2.02 -1.31 2.24 0.00 -1.26 -5.05 121.76 115.44 1a4c s ALA 12 Ca 0.34 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1a4c s ALA 12 Cb 0.30 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.26 1a4c s ALA 12 CO 0.01 0.40 1.81 -1.33 0.00 0.00 0.00 175.76 176.65 1a4c n MET 13 N 0.90 3.26 -3.63 0.00 0.00 -1.26 -4.85 117.12 111.53 1a4c n MET 13 Ca -0.18 -3.32 -0.15 0.00 0.00 0.00 0.00 57.70 54.04 1a4c n MET 13 Cb 0.54 -3.20 -0.07 0.00 0.00 0.00 0.00 33.22 30.49 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 2.40 0.84 0.41 0.03 -2.07 -1.26 -4.71 119.66 115.30 1a4c s GLN 14 Ca 0.46 0.26 -0.07 0.00 -1.82 0.00 0.00 55.36 54.18 1a4c s GLN 14 Cb 0.06 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1a4c s GLN 14 CO 0.00 -0.22 0.73 0.71 -1.32 0.00 0.00 175.29 175.19 1a4c s TYR 15 N -0.85 3.50 -2.35 9.60 2.02 -1.26 -3.33 117.35 124.69 1a4c s TYR 15 Ca -0.09 0.87 0.25 0.00 -0.37 0.00 0.00 57.07 57.73 1a4c s TYR 15 Cb -0.03 -2.31 1.04 0.00 -0.40 0.00 0.00 41.96 40.26 1a4c s TYR 15 CO 0.06 -0.10 1.72 -0.40 -1.57 0.00 0.00 175.55 175.26 1a4c n ASP 16 N -1.57 1.33 -4.18 2.29 5.75 -0.84 -4.82 116.55 114.50 1a4c n ASP 16 Ca 0.01 -1.52 -0.27 0.00 -0.01 0.00 0.00 54.79 53.00 1a4c n ASP 16 Cb 0.54 -0.04 -0.16 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.83 1.99 -0.00 -2.12 1.43 -1.26 -5.01 118.68 111.88 1a4c s LEU 17 Ca 0.36 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1a4c s LEU 17 Cb 0.19 -1.02 -0.07 0.00 0.03 0.00 0.00 46.19 45.33 1a4c s LEU 17 CO 0.31 0.21 0.24 1.17 0.23 0.00 0.00 176.35 178.50 1a4c n LYS 18 N 2.83 4.41 -3.72 1.70 4.81 -1.26 -4.94 118.16 122.00 1a4c n LYS 18 Ca -0.16 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.13 1a4c n LYS 18 Cb 0.53 -0.83 -0.14 0.00 0.02 0.00 0.00 35.03 34.61 1a4c n LYS 18 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1a4c s GLU 19 N -1.67 0.09 -0.10 1.64 0.41 -1.26 -1.59 118.70 116.23 1a4c s GLU 19 Ca 0.02 0.47 0.04 0.00 -0.41 0.00 0.00 54.97 55.08 1a4c s GLU 19 Cb 0.04 -0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.21 1a4c s GLU 19 CO 0.25 -0.21 -0.24 -1.64 -0.49 0.00 0.00 175.26 172.93 1a4c s MET 20 N 1.56 3.00 -0.21 1.61 -1.94 0.37 -4.98 119.30 118.71 1a4c s MET 20 Ca -0.05 -0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1a4c s MET 20 Cb -0.12 -2.27 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 1a4c s MET 20 CO -0.06 0.17 -0.06 0.08 -0.01 0.00 0.00 175.02 175.14 1a4c s VAL 21 N 0.35 3.21 -0.07 -6.03 1.01 -1.26 -1.44 120.40 116.17 1a4c s VAL 21 Ca -0.19 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 1a4c s VAL 21 Cb -0.18 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1a4c s VAL 21 CO 0.09 0.44 0.61 -0.69 0.00 0.00 0.00 175.10 175.54 1a4c s VAL 22 N 1.45 5.06 0.20 2.92 1.01 0.45 -4.84 120.40 126.64 1a4c s VAL 22 Ca 0.06 1.25 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 1a4c s VAL 22 Cb -0.14 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1a4c s VAL 22 CO -0.04 0.31 0.72 -0.62 0.00 0.00 0.00 175.10 175.47 1a4c s ASP 23 N 0.52 7.14 0.27 3.32 2.15 -1.26 0.03 116.67 128.83 1a4c s ASP 23 Ca 0.33 1.46 0.20 0.00 0.43 0.00 0.00 52.55 54.96 1a4c s ASP 23 Cb -0.17 -2.43 1.01 0.00 -0.30 0.00 0.00 42.92 41.03 1a4c s ASP 23 CO 0.16 0.09 1.60 0.29 -0.17 0.00 0.00 175.17 177.14 1a4c n LYS 24 N 1.00 0.13 -0.04 4.34 5.02 -1.26 -1.01 118.16 126.34 1a4c n LYS 24 Ca -0.04 0.58 0.08 0.00 -2.02 0.00 0.00 58.31 56.91 1a4c n LYS 24 Cb 0.50 -1.89 0.36 0.00 -0.02 0.00 0.00 35.03 33.98 1a4c n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a4c n SER 25 N -2.16 0.67 -4.76 4.39 3.41 -1.26 -4.85 113.62 109.05 1a4c n SER 25 Ca -0.01 -1.67 -0.38 0.00 -0.26 0.00 0.00 58.87 56.55 1a4c n SER 25 Cb 0.06 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1a4c n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4c n LYS 27 N 2.86 0.71 -4.23 0.00 3.00 -1.26 -4.77 118.16 114.47 1a4c n LYS 27 Ca -0.08 0.22 -0.19 0.00 -0.00 0.00 0.00 58.31 58.26 1a4c n LYS 27 Cb 0.51 -1.65 -0.11 0.00 0.00 0.00 0.00 35.03 33.78 1a4c n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a4c s GLN 28 N -2.55 1.00 -0.00 1.64 -0.21 -1.26 -1.28 119.66 117.00 1a4c s GLN 28 Ca -0.23 -1.18 0.05 0.00 0.02 0.00 0.00 55.36 54.02 1a4c s GLN 28 Cb 0.07 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 33.14 1a4c s GLN 28 CO 0.73 0.19 -0.16 0.12 -2.12 0.00 0.00 175.29 174.04 1a4c s PHE 29 N -1.90 1.46 -0.09 0.91 5.36 -0.28 -4.77 117.98 118.67 1a4c s PHE 29 Ca 0.07 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1a4c s PHE 29 Cb -0.06 -0.93 0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1a4c s PHE 29 CO 0.03 -0.01 -0.17 0.99 -1.46 0.00 0.00 175.22 174.60 1a4c s THR 30 N -0.46 1.57 -0.13 0.12 2.01 -0.29 -0.44 115.64 118.02 1a4c s THR 30 Ca 0.06 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1a4c s THR 30 Cb -0.07 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1a4c s THR 30 CO -0.00 0.45 0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 1a4c s VAL 31 N 0.70 4.61 -0.30 3.82 1.01 -0.13 -1.26 120.40 128.85 1a4c s VAL 31 Ca -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1a4c s VAL 31 Cb -0.16 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.27 1a4c s VAL 31 CO 0.03 0.55 -0.01 -1.00 0.00 0.00 0.00 175.10 174.67 1a4c s HIS 32 N -0.35 3.31 0.09 5.22 3.76 0.63 -2.38 115.29 125.57 1a4c s HIS 32 Ca 0.08 -2.06 -0.22 0.00 -0.15 0.00 0.00 55.06 52.71 1a4c s HIS 32 Cb -0.12 -2.17 -0.07 0.00 1.11 0.00 0.00 32.58 31.33 1a4c s HIS 32 CO 0.02 -0.84 0.66 -1.17 -0.85 0.00 0.00 174.74 172.56 1a4c s LEU 33 N 1.19 4.52 -0.11 0.89 2.96 0.06 -1.06 118.68 127.14 1a4c s LEU 33 Ca -0.05 1.39 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1a4c s LEU 33 Cb -0.20 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1a4c s LEU 33 CO -0.02 0.20 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.54 1a4c s LYS 34 N -0.85 1.93 -0.76 1.98 1.02 -0.01 -1.40 119.74 121.65 1a4c s LYS 34 Ca 0.33 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 1a4c s LYS 34 Cb -0.21 -1.75 0.12 0.00 -0.52 0.00 0.00 37.83 35.48 1a4c s LYS 34 CO 0.21 -0.13 0.91 -1.58 -0.92 0.00 0.00 175.35 173.84 1a4c s HIS 35 N 1.22 3.10 -1.46 3.18 5.65 -0.62 -0.78 115.29 125.58 1a4c s HIS 35 Ca -0.03 -1.20 0.05 0.00 0.25 0.00 0.00 55.06 54.13 1a4c s HIS 35 Cb -0.14 -4.13 0.19 0.00 -1.18 0.00 0.00 32.58 27.32 1a4c s HIS 35 CO -0.04 -1.38 1.00 1.33 -0.65 0.00 0.00 174.74 175.00 1a4c n VAL 36 N 5.36 0.47 -2.14 0.89 0.24 0.80 -2.05 118.33 121.91 1a4c n VAL 36 Ca 0.07 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 1a4c n VAL 36 Cb 0.46 -0.13 0.16 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.64 1.77 0.00 7.63 0.00 -1.11 -4.80 107.32 110.18 1a4c s GLY 37 Ca 0.13 -1.38 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1a4c s GLY 37 CO 0.07 -0.67 0.60 0.28 0.00 0.00 0.00 173.10 173.37 1a4c n LYS 38 N -3.48 1.89 -2.60 2.90 4.76 -1.26 -2.78 118.16 117.60 1a4c n LYS 38 Ca 0.15 -0.61 -0.31 0.00 -2.87 0.00 0.00 58.31 54.67 1a4c n LYS 38 Cb 0.60 -1.04 -0.03 0.00 -1.84 0.00 0.00 35.03 32.72 1a4c n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1a4c s MET 39 N -1.11 3.81 0.75 1.97 -1.94 -1.26 -4.76 119.30 116.76 1a4c s MET 39 Ca 0.07 0.65 -0.12 0.00 -1.71 0.00 0.00 55.69 54.59 1a4c s MET 39 Cb 0.07 -2.27 0.05 0.00 2.01 0.00 0.00 34.83 34.68 1a4c s MET 39 CO 0.19 -0.17 1.11 0.00 -0.01 0.00 0.00 175.02 176.13 1a4c s ALA 40 N -2.55 2.23 0.47 3.03 0.00 -1.26 -1.34 121.76 122.34 1a4c s ALA 40 Ca 0.54 0.40 0.15 0.00 0.00 0.00 0.00 51.96 53.05 1a4c s ALA 40 Cb -0.10 -3.31 1.09 0.00 0.00 0.00 0.00 23.12 20.80 1a4c s ALA 40 CO 0.34 -1.74 2.04 1.57 0.00 0.00 0.00 175.76 177.97 1a4c h LYS 41 N -0.86 0.00 0.00 0.00 2.10 -1.83 0.35 116.57 116.33 1a4c h LYS 41 Ca -0.44 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.51 0.12 -0.04 0.66 -2.00 0.00 0.00 179.45 178.71 1a4c h SER 42 N 0.00 0.00 0.00 7.07 4.64 -1.95 -0.27 113.55 123.04 1a4c h SER 42 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1a4c h SER 42 Cb 0.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 1a4c h SER 42 CO 0.02 0.04 -2.36 0.00 -0.87 0.00 0.00 176.83 173.66 1a4c n ALA 43 N -2.28 1.49 -2.77 5.18 0.00 -0.37 -4.81 120.51 116.95 1a4c n ALA 43 Ca -0.03 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 1a4c n ALA 43 Cb 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.05 1.11 -2.25 0.00 0.00 -0.03 -4.99 117.12 107.90 1a4c n MET 44 Ca -0.39 -2.61 -0.37 0.00 -0.00 0.00 0.00 57.70 54.33 1a4c n MET 44 Cb 1.01 -0.90 -0.01 0.00 0.00 0.00 0.00 33.22 33.32 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 -2.10 2.76 0.11 -5.12 0.00 -0.12 -4.66 107.32 98.19 1a4c s GLY 45 Ca 0.27 0.92 0.03 0.00 0.00 0.00 0.00 44.72 45.94 1a4c s GLY 45 CO -0.04 1.37 -0.08 0.30 0.00 0.00 0.00 173.10 174.65 1a4c s HIS 46 N -1.57 0.98 0.31 1.90 3.76 -0.71 -4.83 115.29 115.13 1a4c s HIS 46 Ca 0.65 -0.85 -0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1a4c s HIS 46 Cb -0.28 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 32.88 1a4c s HIS 46 CO 0.34 -0.08 0.49 0.27 -0.85 0.00 0.00 174.74 174.91 1a4c n ASN 47 N 0.00 -1.39 -3.86 1.40 0.23 -1.26 -0.61 115.26 109.77 1a4c n ASN 47 Ca -0.12 -2.54 -0.21 0.00 -0.53 0.00 0.00 54.58 51.18 1a4c n ASN 47 Cb 0.60 2.48 -0.17 0.00 -2.08 0.00 0.00 39.78 40.62 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 -3.24 0.75 0.04 -2.53 -0.00 -1.26 -4.11 118.94 108.59 1a4c s TRP 48 Ca 0.21 -0.22 0.05 0.00 -0.00 0.00 0.00 56.10 56.15 1a4c s TRP 48 Cb -0.02 -0.71 -0.02 0.00 -0.00 0.00 0.00 33.47 32.72 1a4c s TRP 48 CO 0.16 -0.23 -0.15 0.08 -0.00 0.00 0.00 176.95 176.80 1a4c s VAL 49 N 1.19 1.22 -0.18 5.86 1.01 0.14 -1.02 120.40 128.62 1a4c s VAL 49 Ca -0.07 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1a4c s VAL 49 Cb -0.14 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1a4c s VAL 49 CO -0.02 0.02 -0.12 -0.22 0.00 0.00 0.00 175.10 174.77 1a4c s LEU 50 N -1.21 2.01 0.38 3.92 2.96 -0.13 -0.89 118.68 125.73 1a4c s LEU 50 Ca 0.02 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1a4c s LEU 50 Cb -0.08 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1a4c s LEU 50 CO 0.01 -0.11 0.17 0.42 -1.32 0.00 0.00 176.35 175.52 1a4c s THR 51 N 1.44 0.44 0.52 3.68 -4.23 -0.39 -0.90 115.64 116.19 1a4c s THR 51 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1a4c s THR 51 Cb -0.15 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.23 1a4c s THR 51 CO -0.09 0.00 1.03 -0.54 -0.54 0.00 0.00 174.62 174.47 1a4c s LYS 52 N -3.66 3.71 0.53 3.99 1.02 -1.26 -0.80 119.74 123.27 1a4c s LYS 52 Ca 0.28 1.21 0.19 0.00 0.02 0.00 0.00 55.97 57.67 1a4c s LYS 52 Cb 0.03 -2.09 1.32 0.00 -0.52 0.00 0.00 37.83 36.57 1a4c s LYS 52 CO 0.18 -0.48 2.10 0.93 -0.92 0.00 0.00 175.35 177.15 1a4c h GLU 53 N 1.10 0.00 0.00 1.68 5.08 -1.86 0.32 114.58 120.90 1a4c h GLU 53 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1a4c h GLU 53 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1a4c h GLU 53 CO 0.59 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 178.51 1a4c h ALA 54 N 1.91 1.04 -0.02 3.43 0.00 -1.92 -3.23 119.26 120.47 1a4c h ALA 54 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a4c h ALA 54 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a4c h ALA 54 CO -0.00 0.12 -0.14 -0.25 0.00 0.00 0.00 179.25 178.98 1a4c n ASP 55 N -3.26 2.53 -0.09 0.00 8.00 0.09 -4.67 116.55 119.15 1a4c n ASP 55 Ca -0.00 -1.77 -0.07 0.00 0.71 0.00 0.00 54.79 53.67 1a4c n ASP 55 Cb 0.33 0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 3.64 -0.15 -0.33 -1.24 3.64 -1.55 -2.06 116.57 118.52 1a4c h LYS 56 Ca 0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1a4c h LYS 56 Cb 0.84 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1a4c h LYS 56 CO 0.00 -0.10 -0.16 1.49 -2.27 0.00 0.00 179.45 178.41 1a4c h GLU 57 N -0.16 0.69 -0.70 1.90 4.81 -1.86 -1.71 114.58 117.56 1a4c h GLU 57 Ca 0.17 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1a4c h GLU 57 Cb 0.42 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1a4c h GLU 57 CO -0.42 0.90 0.45 0.78 -0.73 0.00 0.00 179.01 179.98 1a4c h GLY 58 N 0.46 0.99 1.19 1.92 0.00 -1.82 0.27 103.07 106.08 1a4c h GLY 58 Ca 0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1a4c h GLY 58 CO 0.05 0.32 -0.15 -2.08 0.00 0.00 0.00 176.54 174.68 1a4c h VAL 59 N 0.90 1.27 0.05 4.60 2.07 -1.37 -1.91 116.25 121.86 1a4c h VAL 59 Ca 0.27 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1a4c h VAL 59 Cb -0.05 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1a4c h VAL 59 CO -0.08 0.45 -0.02 0.00 0.02 0.00 0.00 177.57 177.93 1a4c h ALA 60 N 0.99 -0.06 0.25 1.67 0.00 -0.71 -0.76 119.26 120.63 1a4c h ALA 60 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1a4c h ALA 60 Cb 0.70 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1a4c h ALA 60 CO 0.05 -0.45 -0.33 1.15 0.00 0.00 0.00 179.25 179.68 1a4c h THR 61 N -0.24 0.31 -0.07 0.00 2.02 -0.92 0.95 112.91 114.96 1a4c h THR 61 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1a4c h THR 61 Cb 0.22 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1a4c h THR 61 CO 0.01 0.00 -0.01 0.44 0.37 0.00 0.00 175.52 176.33 1a4c h ASP 62 N -0.64 0.08 -0.20 4.18 3.32 -1.36 -1.71 116.42 120.09 1a4c h ASP 62 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1a4c h ASP 62 Cb 0.61 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1a4c h ASP 62 CO -0.11 0.12 0.00 1.23 -1.72 0.00 0.00 179.24 178.76 1a4c h GLY 63 N 0.26 0.38 0.67 2.75 0.00 -0.60 -1.18 103.07 105.35 1a4c h GLY 63 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.16 1a4c h GLY 63 CO 0.00 0.26 0.64 1.98 0.00 0.00 0.00 176.54 179.42 1a4c h MET 64 N 0.11 1.07 -0.00 4.80 1.85 0.03 0.18 114.93 122.97 1a4c h MET 64 Ca 0.06 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1a4c h MET 64 Cb 0.39 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 32.18 1a4c h MET 64 CO 0.01 0.71 -0.01 0.09 -0.40 0.00 0.00 176.91 177.30 1a4c n ASN 65 N -4.53 0.09 0.00 1.39 3.02 -0.79 -2.94 115.26 111.49 1a4c n ASN 65 Ca 0.16 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 54.10 1a4c n ASN 65 Cb 0.24 -0.15 -0.13 0.00 -0.61 0.00 0.00 39.78 39.13 1a4c n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4c h ALA 66 N 3.68 0.67 0.00 5.41 0.00 0.62 -3.50 119.26 126.13 1a4c h ALA 66 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1a4c h ALA 66 Cb 0.20 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a4c h ALA 66 CO 0.00 1.48 0.00 0.41 0.00 0.00 0.00 179.25 181.14 1a4c n GLY 67 N 1.50 0.50 0.34 0.00 0.00 -1.05 -4.05 105.19 102.43 1a4c n GLY 67 Ca -0.12 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 0.94 -1.87 0.99 5.85 -1.90 -0.34 115.31 118.99 1a4c h LEU 68 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1a4c h LEU 68 Cb 0.00 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1a4c h LEU 68 CO 0.00 0.61 -0.09 0.00 -0.34 0.00 0.00 178.44 178.63 1a4c h ALA 69 N 1.42 1.80 -0.64 1.25 0.00 -2.01 -1.29 119.26 119.78 1a4c h ALA 69 Ca 0.39 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 1a4c h ALA 69 Cb 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.77 1a4c h ALA 69 CO -0.16 0.11 0.28 1.04 0.00 0.00 0.00 179.25 180.52 1a4c n GLN 70 N -4.35 3.01 -2.46 0.00 6.02 -0.23 -4.86 117.38 114.51 1a4c n GLN 70 Ca -0.03 -2.48 -0.14 0.00 -0.01 0.00 0.00 57.00 54.35 1a4c n GLN 70 Cb 0.16 -2.03 -0.01 0.00 1.02 0.00 0.00 30.24 29.39 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 -0.20 -4.22 -2.95 1.08 8.00 -0.49 -1.40 116.55 116.37 1a4c n ASP 71 Ca 0.36 0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.83 1a4c n ASP 71 Cb 1.25 -3.57 -0.00 0.00 -0.02 0.00 0.00 41.12 38.78 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 -1.66 -4.43 1.24 4.01 -0.63 -4.49 117.16 107.70 1a4c n TYR 72 Ca -0.16 0.28 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 1a4c n TYR 72 Cb 0.62 -3.04 -0.15 0.00 -0.31 0.00 0.00 39.34 36.46 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 -2.82 0.83 0.17 -0.72 1.01 -0.49 -4.14 120.40 114.24 1a4c s VAL 73 Ca 0.22 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1a4c s VAL 73 Cb -0.12 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 1a4c s VAL 73 CO 0.28 0.25 1.24 -0.75 0.00 0.00 0.00 175.10 176.12 1a4c s LYS 74 N 0.05 4.44 0.19 2.72 2.20 -1.26 -4.82 119.74 123.26 1a4c s LYS 74 Ca -0.01 1.93 -0.32 0.00 -0.36 0.00 0.00 55.97 57.21 1a4c s LYS 74 Cb -0.07 -3.24 -0.12 0.00 -1.51 0.00 0.00 37.83 32.89 1a4c s LYS 74 CO 0.00 -0.18 1.74 0.00 -0.36 0.00 0.00 175.35 176.55 1a4c n ALA 75 N 2.78 2.60 -3.56 3.13 0.00 -1.26 -2.71 120.51 121.49 1a4c n ALA 75 Ca 0.06 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1a4c n ALA 75 Cb 0.44 -2.52 0.05 0.00 0.00 0.00 0.00 19.45 17.42 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 3.98 -0.70 3.64 0.00 0.00 -1.26 -4.92 105.19 105.93 1a4c n GLY 76 Ca 0.17 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.89 6.79 0.47 1.61 -1.08 -1.10 -4.90 116.67 114.56 1a4c s ASP 77 Ca 0.24 0.98 0.32 0.00 -0.52 0.00 0.00 52.55 53.56 1a4c s ASP 77 Cb -0.06 -2.42 1.66 0.00 -1.46 0.00 0.00 42.92 40.65 1a4c s ASP 77 CO 0.80 -0.48 1.97 0.71 0.52 0.00 0.00 175.17 178.69 1a4c h THR 78 N 5.41 0.00 -0.00 1.71 1.35 -1.92 -1.49 112.91 117.96 1a4c h THR 78 Ca -0.24 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1a4c h THR 78 Cb 1.10 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1a4c h THR 78 CO 0.85 0.00 -0.28 0.54 -0.25 0.00 0.00 175.52 176.38 1a4c n ARG 79 N -2.64 0.21 -3.28 4.72 1.74 -1.26 -4.79 116.66 111.37 1a4c n ARG 79 Ca -0.02 -0.09 -0.39 0.00 -0.77 0.00 0.00 57.85 56.58 1a4c n ARG 79 Cb 0.09 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.85 5.12 -0.02 1.55 1.01 -0.56 -4.41 120.40 120.23 1a4c s VAL 80 Ca 0.16 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 1a4c s VAL 80 Cb 0.19 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.49 1a4c s VAL 80 CO 0.60 0.18 0.75 0.40 0.00 0.00 0.00 175.10 177.02 1a4c h ILE 81 N 5.16 1.02 -1.70 2.22 2.04 -1.33 -3.48 117.51 121.44 1a4c h ILE 81 Ca -0.33 -2.72 0.04 0.00 1.00 0.00 0.00 64.86 62.84 1a4c h ILE 81 Cb 1.15 2.65 -0.23 0.00 -0.74 0.00 0.00 36.82 39.65 1a4c h ILE 81 CO 0.73 0.77 0.41 0.00 0.00 0.00 0.00 178.15 180.06 1a4c s ALA 82 N -2.61 -1.90 0.06 1.87 0.00 -1.23 -4.96 121.76 113.00 1a4c s ALA 82 Ca -0.10 1.65 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1a4c s ALA 82 Cb 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.43 1a4c s ALA 82 CO 0.83 -0.30 0.46 -3.38 0.00 0.00 0.00 175.76 173.37 1a4c s HIS 83 N -0.63 -0.33 0.31 0.00 -3.43 -1.26 -0.95 115.29 109.00 1a4c s HIS 83 Ca -0.02 0.27 0.05 0.00 -0.80 0.00 0.00 55.06 54.56 1a4c s HIS 83 Cb -0.02 0.29 0.05 0.00 -1.43 0.00 0.00 32.58 31.47 1a4c s HIS 83 CO 0.01 -0.63 0.42 0.25 -2.00 0.00 0.00 174.74 172.79 1a4c n THR 84 N 0.32 0.00 -2.48 -5.38 -2.24 -0.19 -4.77 114.28 99.54 1a4c n THR 84 Ca -0.18 -1.04 -0.26 0.00 -2.27 0.00 0.00 64.05 60.30 1a4c n THR 84 Cb 0.61 -0.71 0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.39 2.95 0.03 -0.78 1.02 -1.26 -4.64 119.74 113.67 1a4c s LYS 85 Ca 0.32 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.93 1a4c s LYS 85 Cb -0.03 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1a4c s LYS 85 CO 0.20 -0.63 1.07 0.08 -0.92 0.00 0.00 175.35 175.15 1a4c s VAL 86 N -2.92 4.53 0.35 3.17 1.01 -1.26 -4.46 120.40 120.82 1a4c s VAL 86 Ca 0.53 1.82 0.09 0.00 0.00 0.00 0.00 61.98 64.42 1a4c s VAL 86 Cb -0.10 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1a4c s VAL 86 CO 0.44 0.14 -0.07 0.27 0.00 0.00 0.00 175.10 175.89 1a4c s ILE 87 N 1.01 2.11 0.44 2.22 -4.36 0.22 -4.89 121.20 117.96 1a4c s ILE 87 Ca 0.55 -2.15 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 1a4c s ILE 87 Cb -0.24 -2.70 0.05 0.00 1.25 0.00 0.00 42.46 40.81 1a4c s ILE 87 CO 0.29 -0.17 0.39 0.61 0.24 0.00 0.00 174.94 176.30 1a4c n GLY 88 N -0.81 2.62 3.77 6.27 0.00 -1.26 -1.74 105.19 114.04 1a4c n GLY 88 Ca -0.05 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1a4c n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a4c s GLY 89 N -3.77 2.94 0.00 -0.02 0.00 -0.45 -2.32 107.32 103.70 1a4c s GLY 89 Ca 0.30 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.50 1a4c s GLY 89 CO 0.19 2.12 0.00 0.61 0.00 0.00 0.00 173.10 176.02 1a4c n GLY 90 N 0.55 0.46 3.87 0.20 0.00 -0.87 -4.95 105.19 104.45 1a4c n GLY 90 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.44 2.45 0.03 1.61 2.02 -0.98 -4.97 118.70 118.41 1a4c s GLU 91 Ca 0.00 -1.65 -0.10 0.00 0.02 0.00 0.00 54.97 53.25 1a4c s GLU 91 Cb 0.00 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1a4c s GLU 91 CO 0.00 -0.26 0.20 -1.54 0.02 0.00 0.00 175.26 173.68 1a4c s SER 92 N -4.13 0.01 0.03 -0.19 1.04 -1.26 -1.59 113.70 107.60 1a4c s SER 92 Ca 0.46 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 1a4c s SER 92 Cb -0.02 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1a4c s SER 92 CO 0.27 -0.51 0.43 -0.62 0.98 0.00 0.00 173.24 173.78 1a4c s ASP 93 N -1.88 -0.31 0.03 7.02 2.15 -0.49 -5.01 116.67 118.18 1a4c s ASP 93 Ca -0.08 0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.99 1a4c s ASP 93 Cb -0.03 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.00 1a4c s ASP 93 CO -0.02 -0.65 -0.08 -0.44 -0.17 0.00 0.00 175.17 173.81 1a4c s SER 94 N -1.90 0.91 -0.02 -0.34 0.01 -1.26 -0.76 113.70 110.34 1a4c s SER 94 Ca -0.06 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.77 1a4c s SER 94 Cb -0.01 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1a4c s SER 94 CO -0.01 -0.11 -0.02 0.54 0.41 0.00 0.00 173.24 174.05 1a4c s VAL 95 N -1.02 0.25 -0.08 3.43 0.11 -1.00 -4.94 120.40 117.15 1a4c s VAL 95 Ca -0.06 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1a4c s VAL 95 Cb -0.08 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1a4c s VAL 95 CO 0.00 0.12 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.96 1a4c s THR 96 N 0.46 3.89 0.07 5.04 2.01 -1.26 -0.96 115.64 124.90 1a4c s THR 96 Ca -0.05 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1a4c s THR 96 Cb -0.08 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1a4c s THR 96 CO -0.01 0.59 -0.05 0.72 -0.69 0.00 0.00 174.62 175.18 1a4c s PHE 97 N -0.67 0.66 -0.21 4.92 -0.12 0.41 -4.96 117.98 118.02 1a4c s PHE 97 Ca 0.10 -0.98 -0.23 0.00 -0.05 0.00 0.00 56.93 55.77 1a4c s PHE 97 Cb -0.12 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1a4c s PHE 97 CO 0.02 -0.28 0.75 0.34 -0.05 0.00 0.00 175.22 176.00 1a4c s ASP 98 N -2.89 6.80 0.13 1.98 -1.08 -1.26 -1.12 116.67 119.23 1a4c s ASP 98 Ca 0.08 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.23 1a4c s ASP 98 Cb 0.06 -2.41 0.64 0.00 -1.46 0.00 0.00 42.92 39.76 1a4c s ASP 98 CO -0.07 -0.39 1.43 0.52 0.52 0.00 0.00 175.17 177.17 1a4c n VAL 99 N 4.93 1.26 0.32 1.11 0.31 -0.40 -1.93 118.33 123.93 1a4c n VAL 99 Ca 0.03 0.43 0.15 0.00 -0.01 0.00 0.00 64.34 64.93 1a4c n VAL 99 Cb 0.49 -1.35 0.65 0.00 -0.91 0.00 0.00 33.84 32.72 1a4c n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1a4c h SER 100 N 0.00 0.00 0.86 4.52 4.64 -1.92 -1.38 113.55 120.27 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 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 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 -2.58 0.08 -3.94 4.77 5.02 -0.81 -4.77 118.16 115.92 1a4c n LYS 101 Ca 0.01 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 1a4c n LYS 101 Cb 0.20 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 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 -3.53 4.30 -0.20 -0.35 1.43 -0.52 -5.09 118.68 114.72 1a4c s LEU 102 Ca 0.09 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 1a4c s LEU 102 Cb 0.13 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1a4c s LEU 102 CO 0.43 0.39 0.29 -0.89 0.23 0.00 0.00 176.35 176.79 1a4c s THR 103 N -1.06 5.28 -0.09 5.49 2.01 -1.26 -5.05 115.64 120.97 1a4c s THR 103 Ca 0.17 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 1a4c s THR 103 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1a4c s THR 103 CO 0.06 0.33 0.36 -2.65 -0.69 0.00 0.00 174.62 172.02 1a4c n PRO 104 N 4.11 0.00 -0.05 4.92 -0.02 -1.26 -1.66 135.00 141.04 1a4c n PRO 104 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1a4c n PRO 104 Cb 0.52 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 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 0.81 0.15 3.73 -1.23 0.00 -1.25 -4.95 105.19 102.45 1a4c n GLY 105 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.09 4.42 -0.04 1.61 2.12 -0.66 -4.88 118.70 121.18 1a4c s GLU 106 Ca 0.00 1.95 -0.26 0.00 0.36 0.00 0.00 54.97 57.02 1a4c s GLU 106 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1a4c s GLU 106 CO 0.00 -0.23 0.80 0.00 -0.54 0.00 0.00 175.26 175.29 1a4c s ALA 107 N 0.36 3.28 0.28 6.30 0.00 -1.26 -4.45 121.76 126.26 1a4c s ALA 107 Ca 0.57 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1a4c s ALA 107 Cb -0.34 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1a4c s ALA 107 CO 0.35 -0.14 0.10 0.71 0.00 0.00 0.00 175.76 176.78 1a4c s TYR 108 N 0.83 2.82 -0.17 0.00 2.02 0.26 -4.09 117.35 119.02 1a4c s TYR 108 Ca 0.43 -0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 1a4c s TYR 108 Cb -0.19 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1a4c s TYR 108 CO 0.22 0.51 -0.01 0.00 -1.57 0.00 0.00 175.55 174.70 1a4c s ALA 109 N -2.29 3.09 0.06 3.71 0.00 0.02 -1.71 121.76 124.64 1a4c s ALA 109 Ca 0.34 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1a4c s ALA 109 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1a4c s ALA 109 CO 0.22 0.16 -0.13 1.52 0.00 0.00 0.00 175.76 177.53 1a4c s TYR 110 N 0.45 2.68 0.25 0.00 -0.85 -0.66 -1.26 117.35 117.96 1a4c s TYR 110 Ca -0.02 -0.18 -0.22 0.00 -0.52 0.00 0.00 57.07 56.14 1a4c s TYR 110 Cb -0.14 -1.47 0.03 0.00 0.38 0.00 0.00 41.96 40.76 1a4c s TYR 110 CO 0.02 0.35 0.71 -0.59 -1.52 0.00 0.00 175.55 174.52 1a4c s PHE 111 N -1.06 -0.25 -0.20 -3.49 -0.71 -0.06 -3.87 117.98 108.34 1a4c s PHE 111 Ca 0.18 -0.16 -0.08 0.00 -1.04 0.00 0.00 56.93 55.82 1a4c s PHE 111 Cb -0.11 0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1a4c s PHE 111 CO 0.09 -1.15 0.09 0.00 -1.34 0.00 0.00 175.22 172.91 1a4c n SER 113 N 3.83 3.36 -4.70 0.00 3.41 -1.26 -2.13 113.62 116.13 1a4c n SER 113 Ca -0.16 -2.16 -0.42 0.00 -0.26 0.00 0.00 58.87 55.86 1a4c n SER 113 Cb 0.52 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.50 2.85 0.04 7.33 2.19 -1.26 -4.38 117.98 123.25 1a4c s PHE 114 Ca 0.38 0.66 -0.38 0.00 0.33 0.00 0.00 56.93 57.92 1a4c s PHE 114 Cb 0.22 -3.81 -0.19 0.00 -1.31 0.00 0.00 43.02 37.93 1a4c s PHE 114 CO 0.22 -3.06 1.10 -2.30 1.83 0.00 0.00 175.22 173.01 1a4c n PRO 115 N 4.82 0.31 0.00 10.12 -0.02 -1.26 -1.18 135.00 147.79 1a4c n PRO 115 Ca 0.14 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1a4c n PRO 115 Cb 0.41 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.78 1.86 0.37 -1.23 0.00 -1.26 -4.81 105.19 101.90 1a4c n GLY 116 Ca 0.19 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.85 -0.47 1.61 3.86 -1.40 -0.74 115.15 118.86 1a4c h HIS 117 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1a4c h HIS 117 Cb 0.00 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1a4c h HIS 117 CO 0.00 0.29 0.22 0.11 0.86 0.00 0.00 177.93 179.41 1a4c h TRP 118 N 0.70 0.65 -0.00 2.45 5.08 -1.57 -3.03 115.95 120.23 1a4c h TRP 118 Ca 0.47 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.43 1a4c h TRP 118 Cb 0.78 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1a4c h TRP 118 CO -0.00 0.49 -0.19 0.00 -1.28 0.00 0.00 178.44 177.45 1a4c n ALA 119 N -2.46 2.84 -1.07 0.11 0.00 -0.29 -3.82 120.51 115.82 1a4c n ALA 119 Ca 0.04 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1a4c n ALA 119 Cb 0.13 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.50 1a4c n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4c n MET 120 N -1.38 2.74 -3.66 0.00 0.00 -1.14 -4.99 117.12 108.69 1a4c n MET 120 Ca 0.08 -2.90 -0.09 0.00 0.00 0.00 0.00 57.70 54.79 1a4c n MET 120 Cb 0.32 -1.85 -0.02 0.00 0.00 0.00 0.00 33.22 31.67 1a4c n MET 120 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1a4c s HIS 121 N -2.91 -0.34 -0.01 3.17 -3.43 -1.25 -4.98 115.29 105.54 1a4c s HIS 121 Ca 0.43 0.01 -0.00 0.00 -0.80 0.00 0.00 55.06 54.69 1a4c s HIS 121 Cb 0.35 0.64 0.01 0.00 -1.43 0.00 0.00 32.58 32.15 1a4c s HIS 121 CO 0.07 -1.03 0.03 0.21 -2.00 0.00 0.00 174.74 172.02 1a4c s LYS 122 N -3.79 0.00 -0.01 -0.38 2.20 -1.26 -4.94 119.74 111.57 1a4c s LYS 122 Ca 0.07 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1a4c s LYS 122 Cb -0.03 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1a4c s LYS 122 CO -0.02 -0.06 0.01 0.20 -0.36 0.00 0.00 175.35 175.12 1a4c s GLY 123 N 0.38 0.05 0.04 5.54 0.00 -1.25 -4.88 107.32 107.21 1a4c s GLY 123 Ca -0.03 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.91 1a4c s GLY 123 CO -0.01 0.35 -0.16 -1.59 0.00 0.00 0.00 173.10 171.70 1a4c s THR 124 N 0.55 2.97 -0.08 0.90 2.01 -0.62 -1.65 115.64 119.72 1a4c s THR 124 Ca -0.05 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 60.85 1a4c s THR 124 Cb -0.07 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1a4c s THR 124 CO -0.02 0.32 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.87 1a4c s LEU 125 N -1.51 1.74 0.17 4.42 0.20 -0.70 -0.47 118.68 122.54 1a4c s LEU 125 Ca 0.16 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1a4c s LEU 125 Cb -0.11 -1.00 -0.05 0.00 -0.43 0.00 0.00 46.19 44.61 1a4c s LEU 125 CO 0.06 0.05 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.61 1a4c s LYS 126 N 0.68 1.12 -0.28 1.98 1.02 -0.52 -0.58 119.74 123.17 1a4c s LYS 126 Ca -0.14 -1.53 -0.17 0.00 0.02 0.00 0.00 55.97 54.16 1a4c s LYS 126 Cb -0.16 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 1a4c s LYS 126 CO 0.04 -0.07 0.46 -1.17 -0.92 0.00 0.00 175.35 173.68 1a4c s LEU 127 N -3.19 4.09 0.00 3.17 2.96 -1.26 -0.41 118.68 124.04 1a4c s LEU 127 Ca 0.22 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1a4c s LEU 127 Cb 0.05 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1a4c s LEU 127 CO 0.04 -0.28 0.00 -1.20 -1.32 0.00 0.00 176.35 173.59 1a4c n SER 128 N 5.49 0.00 0.00 3.68 7.64 0.10 -3.97 113.62 126.56 1a4c n SER 128 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1a4c n SER 128 Cb 0.50 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1a4c n SER 128 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57