#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 1.13 -1.26 -4.35 117.38 110.69 1a4c n GLN 2 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 1a4c n GLN 2 Cb 0.00 -2.12 0.02 0.00 0.11 0.00 0.00 30.24 28.25 1a4c n GLN 2 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a4c s GLU 4 N -3.84 0.76 0.00 0.00 2.02 -1.26 -1.52 118.70 114.87 1a4c s GLU 4 Ca 0.50 0.91 -0.09 0.00 0.02 0.00 0.00 54.97 56.32 1a4c s GLU 4 Cb 0.41 0.37 0.00 0.00 0.10 0.00 0.00 34.13 35.01 1a4c s GLU 4 CO -0.31 -0.09 0.17 0.00 0.02 0.00 0.00 175.26 175.05 1a4c s ALA 5 N 0.37 -0.39 -0.15 5.21 0.00 0.64 -4.75 121.76 122.69 1a4c s ALA 5 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1a4c s ALA 5 Cb -0.05 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1a4c s ALA 5 CO 0.00 -0.23 -0.19 0.99 0.00 0.00 0.00 175.76 176.33 1a4c s THR 6 N -1.53 2.27 -0.03 0.00 2.01 -1.26 0.07 115.64 117.17 1a4c s THR 6 Ca -0.13 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.03 1a4c s THR 6 Cb -0.06 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1a4c s THR 6 CO 0.01 0.53 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.76 1a4c s ILE 7 N 0.93 1.71 0.15 1.82 2.07 -0.19 -4.94 121.20 122.75 1a4c s ILE 7 Ca -0.04 -0.90 0.06 0.00 -1.41 0.00 0.00 60.65 58.36 1a4c s ILE 7 Cb -0.15 -1.44 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 1a4c s ILE 7 CO -0.04 0.48 0.05 -1.61 -1.91 0.00 0.00 174.94 171.92 1a4c s GLU 8 N -0.30 2.64 0.06 3.50 2.02 -1.26 -1.33 118.70 124.03 1a4c s GLU 8 Ca 0.03 -0.94 0.05 0.00 0.02 0.00 0.00 54.97 54.13 1a4c s GLU 8 Cb -0.10 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1a4c s GLU 8 CO 0.01 0.49 -0.13 -1.12 0.02 0.00 0.00 175.26 174.52 1a4c s SER 9 N -2.84 1.57 0.00 -0.19 0.01 0.21 -1.69 113.70 110.77 1a4c s SER 9 Ca 0.28 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1a4c s SER 9 Cb -0.10 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1a4c s SER 9 CO 0.20 -0.08 0.00 -0.46 0.41 0.00 0.00 173.24 173.31 1a4c n ASN 10 N 1.36 0.00 -1.83 2.44 0.23 -1.26 0.53 115.26 116.73 1a4c n ASN 10 Ca -0.21 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.83 1a4c n ASN 10 Cb 0.54 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.55 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 4.84 -4.64 0.53 8.00 -1.26 -4.49 116.55 119.54 1a4c n ASP 11 Ca 0.00 -2.98 -0.29 0.00 0.71 0.00 0.00 54.79 52.23 1a4c n ASP 11 Cb 0.00 -0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 40.30 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 -2.66 3.37 -1.00 2.24 0.00 -1.26 -5.04 121.76 117.41 1a4c s ALA 12 Ca 0.49 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1a4c s ALA 12 Cb 0.39 0.18 0.32 0.00 0.00 0.00 0.00 23.12 24.00 1a4c s ALA 12 CO 0.13 -0.11 1.71 -1.33 0.00 0.00 0.00 175.76 176.16 1a4c n MET 13 N -1.03 5.15 -3.65 0.00 2.81 -1.26 -4.91 117.12 114.23 1a4c n MET 13 Ca -0.09 -4.67 -0.15 0.00 -1.81 0.00 0.00 57.70 50.98 1a4c n MET 13 Cb 0.67 -2.46 -0.08 0.00 -0.71 0.00 0.00 33.22 30.65 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 -4.08 0.78 0.41 0.03 -2.07 -1.26 -3.25 119.66 110.22 1a4c s GLN 14 Ca 0.39 0.35 -0.05 0.00 -1.82 0.00 0.00 55.36 54.22 1a4c s GLN 14 Cb 0.18 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1a4c s GLN 14 CO -0.10 -0.18 0.70 0.71 -1.32 0.00 0.00 175.29 175.10 1a4c s TYR 15 N -0.60 3.52 0.31 9.60 2.02 -1.26 -4.43 117.35 126.51 1a4c s TYR 15 Ca -0.07 0.76 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1a4c s TYR 15 Cb -0.03 -2.23 0.51 0.00 -0.40 0.00 0.00 41.96 39.80 1a4c s TYR 15 CO 0.05 -0.10 1.89 0.38 -1.57 0.00 0.00 175.55 176.20 1a4c h ASP 16 N 0.79 0.70 -3.41 2.29 2.03 -1.71 -3.40 116.42 113.71 1a4c h ASP 16 Ca -0.48 -0.10 -0.61 0.00 -0.73 0.00 0.00 57.03 55.11 1a4c h ASP 16 Cb 1.20 -0.18 -0.15 0.00 -0.83 0.00 0.00 39.33 39.37 1a4c h ASP 16 CO 0.63 0.65 -0.52 -0.76 -1.03 0.00 0.00 179.24 178.21 1a4c s LEU 17 N -9.39 4.03 0.00 0.15 1.43 -1.26 -4.95 118.68 108.69 1a4c s LEU 17 Ca -0.09 0.12 0.21 0.00 -1.03 0.00 0.00 54.13 53.34 1a4c s LEU 17 Cb 0.16 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.41 1a4c s LEU 17 CO 0.78 0.12 1.09 2.29 0.23 0.00 0.00 176.35 180.87 1a4c n LYS 18 N 3.88 1.68 -4.00 1.70 2.85 -1.26 -4.88 118.16 118.13 1a4c n LYS 18 Ca -0.16 -1.35 -0.10 0.00 -1.05 0.00 0.00 58.31 55.65 1a4c n LYS 18 Cb 0.52 -1.41 -0.11 0.00 -0.65 0.00 0.00 35.03 33.38 1a4c n LYS 18 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1a4c s GLU 19 N -2.05 0.38 -0.04 -1.58 8.01 -1.26 -1.72 118.70 120.44 1a4c s GLU 19 Ca 0.21 -0.67 -0.04 0.00 0.01 0.00 0.00 54.97 54.48 1a4c s GLU 19 Cb 0.17 0.02 0.01 0.00 -4.31 0.00 0.00 34.13 30.02 1a4c s GLU 19 CO 0.40 -0.03 0.10 -1.64 0.01 0.00 0.00 175.26 174.10 1a4c s MET 20 N -1.59 0.14 -0.13 1.61 -1.94 -0.04 -4.93 119.30 112.41 1a4c s MET 20 Ca -0.14 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1a4c s MET 20 Cb -0.09 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1a4c s MET 20 CO -0.01 -0.02 -0.13 0.08 -0.01 0.00 0.00 175.02 174.93 1a4c s VAL 21 N -0.03 1.41 -0.05 -6.03 1.01 -1.26 -1.20 120.40 114.25 1a4c s VAL 21 Ca -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1a4c s VAL 21 Cb -0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1a4c s VAL 21 CO 0.00 0.43 0.44 -0.69 0.00 0.00 0.00 175.10 175.28 1a4c s VAL 22 N 1.43 5.08 0.25 2.92 1.01 0.24 -4.91 120.40 126.43 1a4c s VAL 22 Ca 0.02 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1a4c s VAL 22 Cb -0.13 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1a4c s VAL 22 CO -0.08 0.48 1.04 -0.62 0.00 0.00 0.00 175.10 175.92 1a4c s ASP 23 N -0.38 7.40 0.43 3.32 2.15 -1.26 -0.94 116.67 127.40 1a4c s ASP 23 Ca 0.24 2.13 0.17 0.00 0.43 0.00 0.00 52.55 55.53 1a4c s ASP 23 Cb -0.16 -2.62 1.09 0.00 -0.30 0.00 0.00 42.92 40.93 1a4c s ASP 23 CO 0.12 -0.05 1.90 0.50 -0.17 0.00 0.00 175.17 177.48 1a4c h LYS 24 N 4.10 0.37 0.00 4.34 3.64 -1.94 -0.78 116.57 126.30 1a4c h LYS 24 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1a4c h LYS 24 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1a4c h LYS 24 CO 0.68 0.25 0.00 -1.13 -2.27 0.00 0.00 179.45 176.98 1a4c n SER 25 N -4.48 0.28 -4.72 4.20 3.41 -1.26 -4.80 113.62 106.25 1a4c n SER 25 Ca 0.16 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.89 1a4c n SER 25 Cb 0.59 -0.61 -0.03 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 h LYS 27 N 6.36 0.22 -5.17 0.00 1.63 -1.88 -3.43 116.57 114.30 1a4c h LYS 27 Ca -0.43 -0.38 -0.36 0.00 -0.85 0.00 0.00 60.65 58.64 1a4c h LYS 27 Cb 1.21 0.14 -0.16 0.00 -0.60 0.00 0.00 32.23 32.82 1a4c h LYS 27 CO 0.81 1.05 -0.73 -0.65 -3.45 0.00 0.00 179.45 176.48 1a4c s GLN 28 N -2.59 1.02 0.00 1.90 -0.21 -1.26 -0.98 119.66 117.54 1a4c s GLN 28 Ca -0.13 -1.34 0.02 0.00 0.02 0.00 0.00 55.36 53.92 1a4c s GLN 28 Cb 0.07 -0.71 -0.01 0.00 1.00 0.00 0.00 33.01 33.36 1a4c s GLN 28 CO 0.82 0.11 -0.05 0.12 -2.12 0.00 0.00 175.29 174.17 1a4c s PHE 29 N -2.78 0.47 -0.12 0.91 5.36 -0.64 -4.74 117.98 116.43 1a4c s PHE 29 Ca 0.12 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.99 1a4c s PHE 29 Cb -0.01 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.38 1a4c s PHE 29 CO 0.02 -0.02 -0.21 0.99 -1.46 0.00 0.00 175.22 174.54 1a4c s THR 30 N -0.25 1.92 -0.15 0.12 2.01 -0.58 -1.60 115.64 117.12 1a4c s THR 30 Ca 0.01 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1a4c s THR 30 Cb -0.03 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1a4c s THR 30 CO -0.00 0.53 0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1a4c s VAL 31 N 0.74 4.60 -0.26 3.82 1.01 -0.60 -0.26 120.40 129.45 1a4c s VAL 31 Ca -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1a4c s VAL 31 Cb -0.16 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1a4c s VAL 31 CO 0.01 0.52 -0.03 -1.00 0.00 0.00 0.00 175.10 174.59 1a4c s HIS 32 N -0.09 3.09 -0.15 5.22 3.76 0.11 -1.56 115.29 125.68 1a4c s HIS 32 Ca 0.06 -1.45 -0.12 0.00 -0.15 0.00 0.00 55.06 53.40 1a4c s HIS 32 Cb -0.12 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 1a4c s HIS 32 CO 0.01 -0.70 0.23 -1.17 -0.85 0.00 0.00 174.74 172.26 1a4c s LEU 33 N 1.36 4.29 -0.10 0.89 2.96 0.17 -1.02 118.68 127.22 1a4c s LEU 33 Ca 0.00 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 1a4c s LEU 33 Cb -0.17 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1a4c s LEU 33 CO -0.03 0.21 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.44 1a4c s LYS 34 N -0.02 2.92 -0.63 1.98 1.02 -0.44 -1.40 119.74 123.16 1a4c s LYS 34 Ca 0.15 -0.83 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 1a4c s LYS 34 Cb -0.13 -2.22 0.14 0.00 -0.52 0.00 0.00 37.83 35.10 1a4c s LYS 34 CO 0.03 0.15 0.64 -1.58 -0.92 0.00 0.00 175.35 173.68 1a4c s HIS 35 N 0.40 3.27 -1.49 3.18 5.65 -0.20 -0.62 115.29 125.48 1a4c s HIS 35 Ca -0.18 -1.34 0.07 0.00 0.25 0.00 0.00 55.06 53.85 1a4c s HIS 35 Cb -0.18 -3.89 0.25 0.00 -1.18 0.00 0.00 32.58 27.58 1a4c s HIS 35 CO 0.08 -1.12 1.08 1.33 -0.65 0.00 0.00 174.74 175.46 1a4c n VAL 36 N 5.09 0.59 -2.47 0.89 0.24 0.19 -1.34 118.33 121.51 1a4c n VAL 36 Ca -0.05 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 61.62 1a4c n VAL 36 Cb 0.43 -0.07 0.07 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.70 1.77 0.00 7.63 0.00 -1.24 -4.89 107.32 109.89 1a4c s GLY 37 Ca 0.18 -1.31 0.22 0.00 0.00 0.00 0.00 44.72 43.81 1a4c s GLY 37 CO 0.09 -0.90 1.42 0.58 0.00 0.00 0.00 173.10 174.29 1a4c n LYS 38 N -2.70 2.54 -3.94 2.90 2.85 -1.26 -3.36 118.16 115.19 1a4c n LYS 38 Ca 0.10 -2.36 -0.32 0.00 -1.05 0.00 0.00 58.31 54.68 1a4c n LYS 38 Cb 0.60 -1.52 -0.05 0.00 -0.65 0.00 0.00 35.03 33.42 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 -1.34 3.35 0.76 -1.58 -1.94 -1.26 -4.81 119.30 112.48 1a4c s MET 39 Ca 0.40 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.87 1a4c s MET 39 Cb 0.23 -3.02 0.05 0.00 2.01 0.00 0.00 34.83 34.09 1a4c s MET 39 CO 0.31 0.65 1.09 0.00 -0.01 0.00 0.00 175.02 177.06 1a4c s ALA 40 N -1.36 2.30 -0.51 3.03 0.00 -1.26 0.23 121.76 124.18 1a4c s ALA 40 Ca 0.29 0.29 0.21 0.00 0.00 0.00 0.00 51.96 52.75 1a4c s ALA 40 Cb -0.13 -3.27 0.93 0.00 0.00 0.00 0.00 23.12 20.65 1a4c s ALA 40 CO 0.21 -1.69 1.64 0.36 0.00 0.00 0.00 175.76 176.28 1a4c n LYS 41 N -3.38 0.15 0.21 0.00 2.85 -1.26 -0.60 118.16 116.13 1a4c n LYS 41 Ca 0.09 0.45 0.06 0.00 -1.05 0.00 0.00 58.31 57.86 1a4c n LYS 41 Cb 0.53 -1.83 0.45 0.00 -0.65 0.00 0.00 35.03 33.53 1a4c n LYS 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1a4c h SER 42 N 0.00 0.00 0.00 -5.58 4.64 -1.96 -3.25 113.55 107.40 1a4c h SER 42 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1a4c h SER 42 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 1a4c h SER 42 CO 0.00 0.31 -2.50 0.00 -0.87 0.00 0.00 176.83 173.76 1a4c n ALA 43 N -2.37 1.27 -2.94 5.18 0.00 0.04 -4.91 120.51 116.79 1a4c n ALA 43 Ca -0.01 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1a4c n ALA 43 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.15 0.76 -3.18 0.00 0.00 0.24 -5.02 117.12 105.76 1a4c n MET 44 Ca -0.53 -2.37 -0.34 0.00 -0.00 0.00 0.00 57.70 54.46 1a4c n MET 44 Cb 0.88 -1.36 -0.06 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.49 2.42 0.03 -5.12 0.00 -1.22 -4.61 107.32 97.32 1a4c s GLY 45 Ca 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 1a4c s GLY 45 CO -0.18 0.27 -0.00 0.30 0.00 0.00 0.00 173.10 173.48 1a4c s HIS 46 N -1.79 0.30 0.31 1.90 3.76 -0.59 -4.79 115.29 114.39 1a4c s HIS 46 Ca 0.49 -0.62 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 1a4c s HIS 46 Cb -0.13 -0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.33 1a4c s HIS 46 CO 0.19 -0.26 0.30 0.27 -0.85 0.00 0.00 174.74 174.39 1a4c n ASN 47 N 1.15 -0.78 -3.87 1.40 0.23 -1.26 -1.38 115.26 110.75 1a4c n ASN 47 Ca -0.21 -3.00 -0.23 0.00 -0.53 0.00 0.00 54.58 50.61 1a4c n ASN 47 Cb 0.57 1.72 -0.17 0.00 -2.08 0.00 0.00 39.78 39.82 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 -3.22 0.98 -0.05 -2.53 -0.00 -1.26 -4.15 118.94 108.71 1a4c s TRP 48 Ca 0.36 -0.36 0.05 0.00 -0.00 0.00 0.00 56.10 56.14 1a4c s TRP 48 Cb 0.01 -0.90 -0.00 0.00 -0.00 0.00 0.00 33.47 32.58 1a4c s TRP 48 CO 0.25 -0.33 -0.19 0.08 -0.00 0.00 0.00 176.95 176.77 1a4c s VAL 49 N 1.45 1.54 -0.10 5.86 1.01 0.73 -1.37 120.40 129.51 1a4c s VAL 49 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1a4c s VAL 49 Cb -0.13 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1a4c s VAL 49 CO -0.03 0.44 -0.18 -0.22 0.00 0.00 0.00 175.10 175.11 1a4c s LEU 50 N 0.02 2.46 0.29 3.92 2.96 -0.09 -1.94 118.68 126.30 1a4c s LEU 50 Ca -0.04 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1a4c s LEU 50 Cb -0.12 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1a4c s LEU 50 CO 0.03 0.19 0.38 0.42 -1.32 0.00 0.00 176.35 176.05 1a4c s THR 51 N 0.18 0.00 0.16 3.68 -4.23 -0.40 -1.44 115.64 113.59 1a4c s THR 51 Ca -0.10 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 1a4c s THR 51 Cb -0.16 -2.49 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 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 -3.57 4.55 0.38 3.99 1.02 -1.26 -1.16 119.74 123.69 1a4c s LYS 52 Ca 0.31 1.76 0.22 0.00 0.02 0.00 0.00 55.97 58.28 1a4c s LYS 52 Cb 0.01 -3.28 1.31 0.00 -0.52 0.00 0.00 37.83 35.36 1a4c s LYS 52 CO 0.16 -0.01 1.61 0.93 -0.92 0.00 0.00 175.35 177.12 1a4c h GLU 53 N 5.39 0.09 0.00 1.68 5.08 -1.89 0.33 114.58 125.26 1a4c h GLU 53 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1a4c h GLU 53 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a4c h GLU 53 CO 0.74 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.81 1a4c h ALA 54 N 1.86 1.00 -0.01 3.43 0.00 -1.93 -2.85 119.26 120.76 1a4c h ALA 54 Ca 0.82 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.73 1a4c h ALA 54 Cb 2.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1a4c h ALA 54 CO -0.65 0.00 -0.55 -0.25 0.00 0.00 0.00 179.25 177.81 1a4c n ASP 55 N -2.35 1.48 -0.24 0.00 8.00 0.12 -4.54 116.55 119.01 1a4c n ASP 55 Ca 0.02 -1.17 0.03 0.00 0.71 0.00 0.00 54.79 54.38 1a4c n ASP 55 Cb 0.26 0.50 0.15 0.00 -0.02 0.00 0.00 41.12 42.01 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 1.46 0.48 -0.10 -1.24 3.64 -1.44 -0.46 116.57 118.91 1a4c h LYS 56 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1a4c h LYS 56 Cb 0.63 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1a4c h LYS 56 CO 0.00 0.32 0.04 1.49 -2.27 0.00 0.00 179.45 179.03 1a4c h GLU 57 N 0.50 0.15 -0.18 1.90 4.22 -1.80 0.10 114.58 119.48 1a4c h GLU 57 Ca 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.76 1a4c h GLU 57 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1a4c h GLU 57 CO -0.33 0.26 0.03 0.78 -2.18 0.00 0.00 179.01 177.57 1a4c h GLY 58 N 0.01 0.32 1.37 1.92 0.00 -1.75 -0.96 103.07 103.98 1a4c h GLY 58 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1a4c h GLY 58 CO -0.00 0.20 0.03 -2.08 0.00 0.00 0.00 176.54 174.69 1a4c h VAL 59 N 0.08 1.23 -0.16 4.60 2.07 -1.03 -0.88 116.25 122.16 1a4c h VAL 59 Ca 0.05 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1a4c h VAL 59 Cb 0.31 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1a4c h VAL 59 CO 0.00 0.33 -0.50 0.00 0.02 0.00 0.00 177.57 177.43 1a4c h ALA 60 N 1.30 0.84 0.13 1.67 0.00 -0.60 0.26 119.26 122.85 1a4c h ALA 60 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1a4c h ALA 60 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a4c h ALA 60 CO 0.01 0.67 -0.06 1.15 0.00 0.00 0.00 179.25 181.02 1a4c h THR 61 N 0.35 1.05 0.00 0.00 2.02 -0.96 -2.19 112.91 113.18 1a4c h THR 61 Ca 0.02 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 1a4c h THR 61 Cb 1.00 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1a4c h THR 61 CO 0.09 0.23 -0.23 0.44 0.37 0.00 0.00 175.52 176.41 1a4c h ASP 62 N -0.68 0.00 0.70 4.18 3.32 -1.19 -2.39 116.42 120.36 1a4c h ASP 62 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1a4c h ASP 62 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.07 1a4c h ASP 62 CO 0.03 0.23 -0.34 1.23 -1.72 0.00 0.00 179.24 178.68 1a4c h GLY 63 N 1.05 -0.98 0.65 2.75 0.00 -0.52 -0.52 103.07 105.49 1a4c h GLY 63 Ca -0.00 0.36 0.08 0.00 0.00 0.00 0.00 47.33 47.77 1a4c h GLY 63 CO 0.03 -0.36 0.63 1.98 0.00 0.00 0.00 176.54 178.82 1a4c h MET 64 N -1.08 1.06 0.00 4.80 1.85 -1.28 -0.17 114.93 120.12 1a4c h MET 64 Ca -0.10 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 1a4c h MET 64 Cb 0.72 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 32.51 1a4c h MET 64 CO 0.16 0.70 -0.16 -0.91 -0.40 0.00 0.00 176.91 176.30 1a4c h ASN 65 N 1.09 0.00 0.21 1.39 2.35 -1.41 -3.03 115.58 116.18 1a4c h ASN 65 Ca 0.44 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.17 1a4c h ASN 65 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1a4c h ASN 65 CO -0.20 0.16 -0.13 0.00 -1.65 0.00 0.00 177.43 175.61 1a4c h ALA 66 N 1.84 1.54 0.00 -0.83 0.00 0.69 -3.49 119.26 119.01 1a4c h ALA 66 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a4c h ALA 66 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a4c h ALA 66 CO 0.02 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1a4c n GLY 67 N -0.96 -0.19 0.20 0.00 0.00 -1.15 -4.26 105.19 98.82 1a4c n GLY 67 Ca -0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.13 -1.53 0.99 5.85 -1.93 -1.24 115.31 117.58 1a4c h LEU 68 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1a4c h LEU 68 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1a4c h LEU 68 CO 0.00 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 1a4c h ALA 69 N 1.52 1.00 -0.71 1.25 0.00 -2.01 0.58 119.26 120.89 1a4c h ALA 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a4c h ALA 69 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1a4c h ALA 69 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1a4c n GLN 70 N -2.88 2.72 -2.96 0.00 1.13 -0.91 -4.93 117.38 109.55 1a4c n GLN 70 Ca 0.00 -2.64 -0.21 0.00 -1.94 0.00 0.00 57.00 52.21 1a4c n GLN 70 Cb 0.24 -1.56 0.01 0.00 0.11 0.00 0.00 30.24 29.04 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 1.63 -5.06 -3.90 1.08 8.00 0.20 -2.05 116.55 116.44 1a4c n ASP 71 Ca 0.24 -0.21 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 1a4c n ASP 71 Cb 0.62 -4.15 0.02 0.00 -0.02 0.00 0.00 41.12 37.58 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 -4.12 -2.09 -3.77 1.24 4.01 -0.52 -4.52 117.16 107.40 1a4c n TYR 72 Ca -0.11 0.86 -0.16 0.00 -0.16 0.00 0.00 57.90 58.34 1a4c n TYR 72 Cb 0.60 -3.95 -0.16 0.00 -0.31 0.00 0.00 39.34 35.53 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 -3.45 -0.05 0.07 -0.72 1.01 -0.87 -4.11 120.40 112.27 1a4c s VAL 73 Ca 0.45 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.35 1a4c s VAL 73 Cb -0.23 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 1a4c s VAL 73 CO 0.84 0.10 1.90 1.17 0.00 0.00 0.00 175.10 179.12 1a4c n LYS 74 N 4.31 2.78 -1.55 2.72 4.81 -1.26 -4.79 118.16 125.19 1a4c n LYS 74 Ca -0.25 1.02 -0.55 0.00 -0.87 0.00 0.00 58.31 57.65 1a4c n LYS 74 Cb 0.50 -2.93 -0.07 0.00 0.02 0.00 0.00 35.03 32.55 1a4c n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a4c n ALA 75 N 6.53 -2.22 -3.14 3.14 0.00 -1.26 -1.72 120.51 121.84 1a4c n ALA 75 Ca 0.19 0.56 -0.22 0.00 0.00 0.00 0.00 53.44 53.96 1a4c n ALA 75 Cb 0.38 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 2.06 -0.51 3.70 0.00 0.00 -1.26 -4.89 105.19 104.29 1a4c n GLY 76 Ca 0.19 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.67 6.66 0.45 1.61 -1.08 -0.70 -4.89 116.67 116.04 1a4c s ASP 77 Ca 0.33 2.45 0.23 0.00 -0.52 0.00 0.00 52.55 55.04 1a4c s ASP 77 Cb -0.16 -2.57 1.04 0.00 -1.46 0.00 0.00 42.92 39.77 1a4c s ASP 77 CO 0.41 -0.82 1.90 0.71 0.52 0.00 0.00 175.17 177.88 1a4c h THR 78 N 4.58 0.69 -0.00 1.71 1.35 -1.91 -2.51 112.91 116.82 1a4c h THR 78 Ca -0.42 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1a4c h THR 78 Cb 1.20 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1a4c h THR 78 CO 0.92 0.23 -0.12 0.54 -0.25 0.00 0.00 175.52 176.83 1a4c n ARG 79 N -3.57 0.55 -3.18 4.72 1.74 -1.26 -4.74 116.66 110.93 1a4c n ARG 79 Ca -0.01 -0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1a4c n ARG 79 Cb 0.37 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.57 4.96 0.11 1.55 1.01 -0.95 -4.51 120.40 120.01 1a4c s VAL 80 Ca 0.26 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1a4c s VAL 80 Cb 0.20 -4.00 -0.20 0.00 0.00 0.00 0.00 36.38 32.37 1a4c s VAL 80 CO 0.50 -0.22 1.26 0.40 0.00 0.00 0.00 175.10 177.03 1a4c h ILE 81 N 5.61 1.36 -1.66 2.22 2.04 -1.54 -3.48 117.51 122.07 1a4c h ILE 81 Ca -0.27 -2.38 0.04 0.00 1.00 0.00 0.00 64.86 63.25 1a4c h ILE 81 Cb 1.12 2.41 -0.25 0.00 -0.74 0.00 0.00 36.82 39.37 1a4c h ILE 81 CO 0.80 0.72 0.42 0.00 0.00 0.00 0.00 178.15 180.08 1a4c s ALA 82 N -3.28 -1.93 0.00 1.87 0.00 -1.23 -4.89 121.76 112.30 1a4c s ALA 82 Ca -0.07 1.81 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 1a4c s ALA 82 Cb 0.08 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1a4c s ALA 82 CO 0.89 -0.27 0.15 -3.38 0.00 0.00 0.00 175.76 173.15 1a4c s HIS 83 N -0.10 0.03 0.59 0.00 -3.43 -1.26 -0.91 115.29 110.21 1a4c s HIS 83 Ca 0.01 -0.11 0.03 0.00 -0.80 0.00 0.00 55.06 54.18 1a4c s HIS 83 Cb -0.04 -0.04 0.07 0.00 -1.43 0.00 0.00 32.58 31.14 1a4c s HIS 83 CO -0.03 -0.30 0.83 0.95 -2.00 0.00 0.00 174.74 174.19 1a4c s THR 84 N -1.41 2.46 0.83 -5.38 -4.23 -0.47 -4.85 115.64 102.58 1a4c s THR 84 Ca -0.15 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 1a4c s THR 84 Cb -0.07 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.12 1a4c s THR 84 CO 0.02 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.67 1a4c s LYS 85 N -4.83 1.81 0.23 3.99 1.02 -1.26 -4.62 119.74 116.09 1a4c s LYS 85 Ca 0.61 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 1a4c s LYS 85 Cb -0.08 -1.90 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1a4c s LYS 85 CO 0.40 -1.79 0.96 0.08 -0.92 0.00 0.00 175.35 174.08 1a4c s VAL 86 N -3.19 4.05 0.20 3.17 1.01 -1.26 -4.37 120.40 120.01 1a4c s VAL 86 Ca 0.62 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.64 1a4c s VAL 86 Cb -0.14 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1a4c s VAL 86 CO 0.54 0.47 0.03 0.27 0.00 0.00 0.00 175.10 176.41 1a4c s ILE 87 N -1.07 0.66 0.52 2.22 -4.36 -0.48 -4.92 121.20 113.78 1a4c s ILE 87 Ca 0.42 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1a4c s ILE 87 Cb -0.26 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 1a4c s ILE 87 CO 0.33 -0.32 0.01 -0.83 0.24 0.00 0.00 174.94 174.36 1a4c s GLY 88 N -3.22 3.07 0.26 6.27 0.00 -1.26 -1.53 107.32 110.90 1a4c s GLY 88 Ca 0.28 -0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1a4c s GLY 88 CO 0.07 -2.19 1.35 0.61 0.00 0.00 0.00 173.10 172.94 1a4c n GLY 89 N -1.28 0.64 2.54 0.20 0.00 0.13 -2.01 105.19 105.42 1a4c n GLY 89 Ca -0.20 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.81 0.94 3.83 -0.02 0.00 -0.45 -4.89 105.19 106.41 1a4c n GLY 90 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.15 2.50 0.19 1.61 2.02 -0.85 -4.95 118.70 119.06 1a4c s GLU 91 Ca 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 54.97 53.41 1a4c s GLU 91 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 1a4c s GLU 91 CO 0.00 -0.09 0.19 -1.54 0.02 0.00 0.00 175.26 173.84 1a4c s SER 92 N -4.03 0.13 -0.20 -0.19 1.04 -1.26 -1.04 113.70 108.15 1a4c s SER 92 Ca 0.44 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 55.39 1a4c s SER 92 Cb -0.02 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.60 1a4c s SER 92 CO 0.26 -0.87 0.92 -0.62 0.98 0.00 0.00 173.24 173.91 1a4c s ASP 93 N -3.09 -0.50 0.11 7.02 2.15 -0.49 -4.99 116.67 116.88 1a4c s ASP 93 Ca 0.30 0.78 0.07 0.00 0.43 0.00 0.00 52.55 54.13 1a4c s ASP 93 Cb 0.05 0.72 -0.04 0.00 -0.30 0.00 0.00 42.92 43.36 1a4c s ASP 93 CO 0.08 -0.30 -0.17 -0.44 -0.17 0.00 0.00 175.17 174.17 1a4c s SER 94 N -0.41 2.19 -0.01 -0.34 0.01 -1.26 -0.66 113.70 113.21 1a4c s SER 94 Ca -0.01 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1a4c s SER 94 Cb -0.03 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1a4c s SER 94 CO 0.00 -0.05 0.00 0.54 0.41 0.00 0.00 173.24 174.15 1a4c s VAL 95 N -1.59 0.08 -0.11 3.43 0.11 -0.60 -4.94 120.40 116.77 1a4c s VAL 95 Ca 0.06 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1a4c s VAL 95 Cb -0.08 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1a4c s VAL 95 CO 0.04 0.08 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.93 1a4c s THR 96 N 0.58 3.64 0.13 5.04 2.01 -1.26 -1.56 115.64 124.22 1a4c s THR 96 Ca -0.05 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1a4c s THR 96 Cb -0.08 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1a4c s THR 96 CO -0.01 0.55 -0.09 0.72 -0.69 0.00 0.00 174.62 175.09 1a4c s PHE 97 N -0.20 1.17 -0.06 4.92 -0.12 -0.63 -4.96 117.98 118.11 1a4c s PHE 97 Ca 0.03 -0.78 -0.30 0.00 -0.05 0.00 0.00 56.93 55.83 1a4c s PHE 97 Cb -0.13 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 1a4c s PHE 97 CO 0.03 0.03 1.08 -0.51 -0.05 0.00 0.00 175.22 175.80 1a4c s ASP 98 N -3.08 7.19 0.41 1.98 1.01 -1.26 -1.62 116.67 121.30 1a4c s ASP 98 Ca 0.15 1.69 0.29 0.00 0.71 0.00 0.00 52.55 55.39 1a4c s ASP 98 Cb 0.03 -2.56 1.26 0.00 1.01 0.00 0.00 42.92 42.65 1a4c s ASP 98 CO -0.01 -0.46 1.86 0.58 0.21 0.00 0.00 175.17 177.35 1a4c h VAL 99 N 4.97 0.00 0.00 -1.27 2.07 -1.33 -2.71 116.25 117.98 1a4c h VAL 99 Ca -0.35 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1a4c h VAL 99 Cb 1.17 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1a4c h VAL 99 CO 0.84 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.89 1a4c n SER 100 N -2.63 0.00 -0.14 0.57 3.41 -1.26 -1.50 113.62 112.07 1a4c n SER 100 Ca 0.01 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1a4c n SER 100 Cb 0.23 -0.46 0.51 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.46 0.63 -4.08 4.33 5.02 -1.02 -4.84 118.16 116.73 1a4c n LYS 101 Ca 0.01 -0.28 -0.35 0.00 -2.02 0.00 0.00 58.31 55.68 1a4c n LYS 101 Cb 0.04 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.56 3.52 -0.10 -0.35 1.43 -0.56 -5.08 118.68 114.98 1a4c s LEU 102 Ca 0.25 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.03 1a4c s LEU 102 Cb 0.19 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1a4c s LEU 102 CO 0.51 0.12 0.81 -0.89 0.23 0.00 0.00 176.35 177.14 1a4c s THR 103 N 0.67 4.94 0.18 5.49 2.01 -1.26 -5.03 115.64 122.63 1a4c s THR 103 Ca 0.01 1.65 -0.33 0.00 0.31 0.00 0.00 61.69 63.33 1a4c s THR 103 Cb -0.14 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 68.09 1a4c s THR 103 CO 0.02 0.13 1.29 -2.65 -0.69 0.00 0.00 174.62 172.73 1a4c n PRO 104 N 4.44 1.49 0.00 4.92 -0.02 -1.26 -2.01 135.00 142.56 1a4c n PRO 104 Ca 0.03 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1a4c n PRO 104 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.26 2.99 3.74 -1.23 0.00 -1.26 -5.01 105.19 106.68 1a4c n GLY 105 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.29 4.73 -0.20 1.61 2.12 -0.85 -5.01 118.70 120.81 1a4c s GLU 106 Ca 0.00 1.59 -0.20 0.00 0.36 0.00 0.00 54.97 56.72 1a4c s GLU 106 Cb 0.00 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1a4c s GLU 106 CO 0.00 0.31 0.58 0.00 -0.54 0.00 0.00 175.26 175.61 1a4c s ALA 107 N -0.75 3.54 0.09 6.30 0.00 -1.26 -4.45 121.76 125.24 1a4c s ALA 107 Ca 0.44 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1a4c s ALA 107 Cb -0.27 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1a4c s ALA 107 CO 0.34 -0.50 0.09 0.71 0.00 0.00 0.00 175.76 176.40 1a4c s TYR 108 N 1.78 3.19 -0.14 0.00 1.51 -0.03 -4.17 117.35 119.49 1a4c s TYR 108 Ca 0.27 0.06 -0.12 0.00 -1.01 0.00 0.00 57.07 56.27 1a4c s TYR 108 Cb -0.16 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1a4c s TYR 108 CO 0.10 0.52 0.24 0.00 -1.11 0.00 0.00 175.55 175.30 1a4c s ALA 109 N -1.45 3.68 0.02 3.71 0.00 -0.31 -0.76 121.76 126.65 1a4c s ALA 109 Ca 0.30 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1a4c s ALA 109 Cb -0.12 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1a4c s ALA 109 CO 0.22 0.26 -0.19 1.52 0.00 0.00 0.00 175.76 177.57 1a4c s TYR 110 N -0.04 1.71 0.27 0.00 -0.85 -0.70 -1.27 117.35 116.47 1a4c s TYR 110 Ca 0.15 -0.35 -0.21 0.00 -0.52 0.00 0.00 57.07 56.14 1a4c s TYR 110 Cb -0.13 -1.06 0.03 0.00 0.38 0.00 0.00 41.96 41.18 1a4c s TYR 110 CO 0.04 0.03 0.75 -0.59 -1.52 0.00 0.00 175.55 174.26 1a4c s PHE 111 N -0.63 -0.17 -0.25 -3.49 -0.71 -0.82 -0.19 117.98 111.72 1a4c s PHE 111 Ca 0.07 -0.28 -0.09 0.00 -1.04 0.00 0.00 56.93 55.59 1a4c s PHE 111 Cb -0.08 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 1a4c s PHE 111 CO 0.01 -1.21 0.11 0.00 -1.34 0.00 0.00 175.22 172.79 1a4c n SER 113 N 4.66 1.93 -4.76 0.00 3.41 -1.26 -1.21 113.62 116.38 1a4c n SER 113 Ca -0.15 -1.91 -0.39 0.00 -0.26 0.00 0.00 58.87 56.15 1a4c n SER 113 Cb 0.52 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.59 2.47 -0.30 7.33 5.36 -1.26 -4.09 117.98 125.91 1a4c s PHE 114 Ca 0.28 1.32 -0.42 0.00 -0.96 0.00 0.00 56.93 57.14 1a4c s PHE 114 Cb 0.15 -3.84 -0.18 0.00 -0.34 0.00 0.00 43.02 38.80 1a4c s PHE 114 CO 0.20 -2.79 1.58 -2.30 -1.46 0.00 0.00 175.22 170.46 1a4c n PRO 115 N -0.37 0.59 0.00 10.12 -0.02 -1.26 -1.17 135.00 142.89 1a4c n PRO 115 Ca 0.06 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1a4c n PRO 115 Cb 0.43 -1.81 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 3.68 2.93 0.15 -1.23 0.00 -1.26 -4.90 105.19 104.55 1a4c n GLY 116 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 1.61 3.86 -1.38 -3.41 115.15 115.46 1a4c h HIS 117 Ca 0.00 -0.62 0.42 0.00 -1.16 0.00 0.00 60.37 59.01 1a4c h HIS 117 Cb 0.00 -0.03 -0.14 0.00 1.06 0.00 0.00 27.41 28.29 1a4c h HIS 117 CO 0.00 1.60 0.76 0.11 0.86 0.00 0.00 177.93 181.27 1a4c h TRP 118 N 0.09 0.63 -0.57 2.45 5.08 -1.30 0.32 115.95 122.66 1a4c h TRP 118 Ca -0.29 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.71 1a4c h TRP 118 Cb 2.11 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 28.12 1a4c h TRP 118 CO 0.12 -0.26 0.00 0.00 -1.28 0.00 0.00 178.44 177.02 1a4c n ALA 119 N -2.45 3.10 0.00 0.11 0.00 -1.26 -4.38 120.51 115.63 1a4c n ALA 119 Ca 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1a4c n ALA 119 Cb 1.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.95 0.00 -2.99 0.00 2.81 0.97 -4.95 117.12 113.91 1a4c n MET 120 Ca 0.23 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.68 1a4c n MET 120 Cb 0.83 -0.30 -0.03 0.00 -0.71 0.00 0.00 33.22 33.00 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 -1.73 3.04 0.37 2.03 5.04 -0.19 -4.64 115.29 119.22 1a4c s HIS 121 Ca 0.00 -1.14 -0.14 0.00 -1.54 0.00 0.00 55.06 52.24 1a4c s HIS 121 Cb 0.00 -4.18 0.04 0.00 0.04 0.00 0.00 32.58 28.49 1a4c s HIS 121 CO 0.00 -1.43 0.73 -1.59 -2.34 0.00 0.00 174.74 170.10 1a4c s LYS 122 N 2.78 2.14 0.00 2.88 -2.85 -1.26 -1.61 119.74 121.82 1a4c s LYS 122 Ca 0.24 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1a4c s LYS 122 Cb -0.13 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1a4c s LYS 122 CO -0.01 -0.98 0.00 0.41 0.10 0.00 0.00 175.35 174.87 1a4c n GLY 123 N -0.53 -1.21 3.10 0.59 0.00 0.73 -4.71 105.19 103.17 1a4c n GLY 123 Ca -0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 1.21 0.01 2.61 2.01 -0.70 -1.72 115.64 116.06 1a4c s THR 124 Ca 0.00 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1a4c s THR 124 Cb 0.00 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1a4c s THR 124 CO 0.00 0.35 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.83 1a4c s LEU 125 N -0.07 2.31 0.03 4.42 0.20 0.06 -0.86 118.68 124.76 1a4c s LEU 125 Ca -0.00 -0.47 -0.02 0.00 0.69 0.00 0.00 54.13 54.33 1a4c s LEU 125 Cb -0.09 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.26 1a4c s LEU 125 CO 0.01 0.29 0.00 -0.54 -0.29 0.00 0.00 176.35 175.82 1a4c s LYS 126 N -1.04 0.42 -0.03 1.98 1.02 -0.34 -0.85 119.74 120.89 1a4c s LYS 126 Ca 0.12 -0.71 -0.20 0.00 0.02 0.00 0.00 55.97 55.20 1a4c s LYS 126 Cb -0.10 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 1a4c s LYS 126 CO 0.02 -0.08 0.57 -1.17 -0.92 0.00 0.00 175.35 173.76 1a4c s LEU 127 N -1.80 4.38 1.07 3.17 2.96 -1.26 -0.59 118.68 126.61 1a4c s LEU 127 Ca -0.10 1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.70 1a4c s LEU 127 Cb -0.05 -2.86 0.05 0.00 0.50 0.00 0.00 46.19 43.82 1a4c s LEU 127 CO -0.03 0.08 -0.11 -1.54 -1.32 0.00 0.00 176.35 173.43 1a4c n SER 128 N 2.96 -2.53 0.00 3.68 3.41 -0.11 -4.33 113.62 116.69 1a4c n SER 128 Ca -0.07 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1a4c n SER 128 Cb 0.51 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1a4c n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47