#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4b n GLN 2 N 0.00 0.00 -2.49 0.00 -0.00 -1.26 -0.50 117.38 113.14 1a4b n GLN 2 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.83 1a4b n GLN 2 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 30.24 30.26 1a4b n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a4b s GLU 4 N -3.48 0.32 -0.03 0.00 2.02 0.35 -1.49 118.70 116.38 1a4b s GLU 4 Ca 0.40 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 1a4b s GLU 4 Cb 0.41 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.76 1a4b s GLU 4 CO -0.06 -0.06 0.10 0.00 0.02 0.00 0.00 175.26 175.26 1a4b s ALA 5 N -1.33 -0.23 -0.08 5.21 0.00 -0.42 -4.85 121.76 120.06 1a4b s ALA 5 Ca -0.15 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1a4b s ALA 5 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1a4b s ALA 5 CO -0.00 -0.08 0.00 0.99 0.00 0.00 0.00 175.76 176.67 1a4b s THR 6 N -0.28 4.29 0.01 0.00 2.01 -1.26 -0.45 115.64 119.96 1a4b s THR 6 Ca -0.03 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1a4b s THR 6 Cb -0.02 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1a4b s THR 6 CO 0.00 0.59 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.99 1a4b s ILE 7 N -0.90 0.09 0.10 1.82 2.07 -0.08 -4.93 121.20 119.37 1a4b s ILE 7 Ca 0.14 -0.35 0.10 0.00 -1.41 0.00 0.00 60.65 59.13 1a4b s ILE 7 Cb -0.11 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1a4b s ILE 7 CO 0.03 -0.17 -0.26 -1.61 -1.91 0.00 0.00 174.94 171.03 1a4b s GLU 8 N -0.54 1.47 0.15 3.50 2.02 -1.26 -1.18 118.70 122.86 1a4b s GLU 8 Ca -0.05 -1.24 0.08 0.00 0.02 0.00 0.00 54.97 53.77 1a4b s GLU 8 Cb -0.04 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1a4b s GLU 8 CO -0.00 0.45 -0.16 -1.12 0.02 0.00 0.00 175.26 174.44 1a4b s SER 9 N -1.77 2.43 0.00 -0.19 0.01 -0.30 -0.94 113.70 112.94 1a4b s SER 9 Ca 0.12 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1a4b s SER 9 Cb -0.10 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1a4b s SER 9 CO 0.05 -0.09 0.00 -0.46 0.41 0.00 0.00 173.24 173.15 1a4b n ASN 10 N 0.31 0.17 -1.63 2.44 6.94 -1.26 -0.29 115.26 121.94 1a4b n ASN 10 Ca -0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.31 1a4b n ASN 10 Cb 0.57 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.05 1a4b n ASN 10 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1a4b n ASP 11 N 0.00 4.38 -3.32 0.53 8.00 -1.26 -4.60 116.55 120.28 1a4b n ASP 11 Ca 0.00 -2.78 -0.20 0.00 0.71 0.00 0.00 54.79 52.52 1a4b n ASP 11 Cb 0.00 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 40.25 1a4b n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4b n ALA 12 N 0.06 0.50 -2.44 2.24 0.00 -1.26 -5.08 120.51 114.53 1a4b n ALA 12 Ca 0.25 -1.69 -0.39 0.00 0.00 0.00 0.00 53.44 51.62 1a4b n ALA 12 Cb 0.84 1.18 0.02 0.00 0.00 0.00 0.00 19.45 21.49 1a4b n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a4b n MET 13 N -0.71 4.35 -3.63 0.00 2.81 -1.26 -4.96 117.12 113.72 1a4b n MET 13 Ca -0.02 -4.33 -0.14 0.00 -1.81 0.00 0.00 57.70 51.40 1a4b n MET 13 Cb 0.50 -2.38 -0.06 0.00 -0.71 0.00 0.00 33.22 30.57 1a4b n MET 13 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1a4b s GLN 14 N -4.15 0.93 0.43 0.03 -2.07 -1.26 -3.18 119.66 110.40 1a4b s GLN 14 Ca 0.44 -0.19 -0.12 0.00 -1.82 0.00 0.00 55.36 53.67 1a4b s GLN 14 Cb 0.28 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.56 1a4b s GLN 14 CO -0.22 -0.31 0.82 0.71 -1.32 0.00 0.00 175.29 174.96 1a4b s TYR 15 N -2.06 3.47 -0.46 9.60 2.02 -1.26 -4.25 117.35 124.41 1a4b s TYR 15 Ca -0.08 1.13 0.26 0.00 -0.37 0.00 0.00 57.07 58.01 1a4b s TYR 15 Cb -0.01 -2.51 0.93 0.00 -0.40 0.00 0.00 41.96 39.96 1a4b s TYR 15 CO 0.01 -0.18 1.77 0.38 -1.57 0.00 0.00 175.55 175.96 1a4b h ASP 16 N 1.12 0.00 -3.31 2.29 2.03 -1.43 -3.42 116.42 113.70 1a4b h ASP 16 Ca -0.47 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.17 1a4b h ASP 16 Cb 1.19 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.40 1a4b h ASP 16 CO 0.63 0.00 -0.77 -0.76 -1.03 0.00 0.00 179.24 177.32 1a4b s LEU 17 N -4.92 2.68 0.07 0.15 1.43 -1.26 -4.98 118.68 111.84 1a4b s LEU 17 Ca 0.06 -0.41 0.22 0.00 -1.03 0.00 0.00 54.13 52.98 1a4b s LEU 17 Cb 0.10 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 1a4b s LEU 17 CO 0.51 0.07 0.87 0.29 0.23 0.00 0.00 176.35 178.31 1a4b n LYS 18 N 4.19 0.47 -4.35 1.70 4.01 -1.26 -4.79 118.16 118.12 1a4b n LYS 18 Ca -0.19 -0.03 -0.18 0.00 -0.51 0.00 0.00 58.31 57.40 1a4b n LYS 18 Cb 0.52 -1.63 -0.14 0.00 -0.51 0.00 0.00 35.03 33.26 1a4b n LYS 18 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1a4b s GLU 19 N -3.32 0.74 -0.02 1.97 0.41 -1.26 -1.38 118.70 115.84 1a4b s GLU 19 Ca -0.01 -0.40 0.02 0.00 -0.41 0.00 0.00 54.97 54.18 1a4b s GLU 19 Cb 0.13 -0.71 0.00 0.00 -1.78 0.00 0.00 34.13 31.77 1a4b s GLU 19 CO 0.83 0.19 -0.07 -1.64 -0.49 0.00 0.00 175.26 174.08 1a4b s MET 20 N -0.39 0.77 -0.09 1.61 -1.94 0.13 -4.95 119.30 114.44 1a4b s MET 20 Ca 0.02 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 53.81 1a4b s MET 20 Cb -0.04 -0.74 -0.00 0.00 2.01 0.00 0.00 34.83 36.06 1a4b s MET 20 CO -0.00 0.09 -0.23 0.08 -0.01 0.00 0.00 175.02 174.94 1a4b s VAL 21 N 0.20 1.99 -0.27 -6.03 1.01 -1.26 -1.19 120.40 114.85 1a4b s VAL 21 Ca -0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1a4b s VAL 21 Cb -0.07 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1a4b s VAL 21 CO 0.00 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.10 1a4b s VAL 22 N 0.27 4.84 0.41 2.92 1.01 0.07 -4.96 120.40 124.96 1a4b s VAL 22 Ca -0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1a4b s VAL 22 Cb -0.17 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1a4b s VAL 22 CO 0.08 0.26 1.39 -0.62 0.00 0.00 0.00 175.10 176.21 1a4b s ASP 23 N 1.69 6.19 0.00 3.32 2.15 -1.24 -0.80 116.67 127.97 1a4b s ASP 23 Ca 0.06 2.85 0.16 0.00 0.43 0.00 0.00 52.55 56.05 1a4b s ASP 23 Cb -0.16 -2.65 0.72 0.00 -0.30 0.00 0.00 42.92 40.53 1a4b s ASP 23 CO 0.08 -0.95 1.49 0.29 -0.17 0.00 0.00 175.17 175.90 1a4b n LYS 24 N 0.13 0.08 0.04 4.34 5.02 -0.92 -1.46 118.16 125.39 1a4b n LYS 24 Ca 0.03 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1a4b n LYS 24 Cb 0.42 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.42 1a4b n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a4b n SER 25 N -1.42 0.25 -4.68 4.39 3.41 -1.26 -4.81 113.62 109.49 1a4b n SER 25 Ca 0.05 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 1a4b n SER 25 Cb 0.16 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 1a4b n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4b n LYS 27 N 5.44 0.71 -4.39 0.00 3.00 -1.26 -4.72 118.16 116.93 1a4b n LYS 27 Ca 0.10 0.24 -0.28 0.00 -0.00 0.00 0.00 58.31 58.37 1a4b n LYS 27 Cb 0.47 -1.69 -0.12 0.00 0.00 0.00 0.00 35.03 33.69 1a4b n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a4b s GLN 28 N -2.56 1.50 -0.02 1.64 -0.21 -1.26 -0.91 119.66 117.85 1a4b s GLN 28 Ca -0.19 -1.41 0.01 0.00 0.02 0.00 0.00 55.36 53.78 1a4b s GLN 28 Cb 0.07 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.19 1a4b s GLN 28 CO 0.76 0.43 -0.03 0.12 -2.12 0.00 0.00 175.29 174.45 1a4b s PHE 29 N -1.36 0.42 -0.11 0.91 5.36 -0.51 -4.81 117.98 117.89 1a4b s PHE 29 Ca 0.18 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 1a4b s PHE 29 Cb -0.09 -0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 1a4b s PHE 29 CO 0.08 -0.06 -0.19 0.99 -1.46 0.00 0.00 175.22 174.58 1a4b s THR 30 N 0.32 2.50 -0.15 0.12 2.01 -0.56 -0.89 115.64 118.99 1a4b s THR 30 Ca -0.03 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1a4b s THR 30 Cb -0.07 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1a4b s THR 30 CO -0.00 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 1a4b s VAL 31 N 0.31 3.36 -0.41 3.82 1.01 0.01 -1.29 120.40 127.20 1a4b s VAL 31 Ca -0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1a4b s VAL 31 Cb -0.17 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1a4b s VAL 31 CO 0.07 0.50 0.26 -1.00 0.00 0.00 0.00 175.10 174.93 1a4b s HIS 32 N 0.51 3.31 -0.11 5.22 3.76 0.40 -1.62 115.29 126.77 1a4b s HIS 32 Ca -0.06 -1.40 -0.19 0.00 -0.15 0.00 0.00 55.06 53.25 1a4b s HIS 32 Cb -0.15 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 1a4b s HIS 32 CO 0.04 -0.81 0.53 -1.17 -0.85 0.00 0.00 174.74 172.47 1a4b s LEU 33 N 1.46 4.29 -0.00 0.89 2.96 0.06 -0.90 118.68 127.43 1a4b s LEU 33 Ca 0.03 0.91 0.08 0.00 -0.22 0.00 0.00 54.13 54.92 1a4b s LEU 33 Cb -0.22 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 1a4b s LEU 33 CO 0.03 -0.03 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.25 1a4b s LYS 34 N 0.66 1.89 -0.37 1.98 1.02 -0.33 -0.98 119.74 123.61 1a4b s LYS 34 Ca 0.29 -0.92 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 1a4b s LYS 34 Cb -0.16 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1a4b s LYS 34 CO 0.12 0.51 0.14 -1.58 -0.92 0.00 0.00 175.35 173.62 1a4b s HIS 35 N -0.63 3.43 -2.17 3.18 5.65 -0.31 -1.15 115.29 123.29 1a4b s HIS 35 Ca 0.10 -2.03 0.17 0.00 0.25 0.00 0.00 55.06 53.54 1a4b s HIS 35 Cb -0.09 -2.76 0.60 0.00 -1.18 0.00 0.00 32.58 29.15 1a4b s HIS 35 CO -0.00 -0.88 1.45 1.33 -0.65 0.00 0.00 174.74 175.98 1a4b n VAL 36 N 4.67 0.29 -1.12 0.89 0.24 0.60 -1.59 118.33 122.31 1a4b n VAL 36 Ca -0.08 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.34 61.80 1a4b n VAL 36 Cb 0.42 0.29 0.04 0.00 -1.47 0.00 0.00 33.84 33.13 1a4b n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a4b n GLY 37 N 1.08 -1.33 0.00 7.63 0.00 -1.25 -4.80 105.19 106.52 1a4b n GLY 37 Ca 0.14 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1a4b n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a4b n LYS 38 N -1.60 0.61 -3.13 1.61 2.85 -1.26 -1.85 118.16 115.40 1a4b n LYS 38 Ca 0.03 -0.79 -0.32 0.00 -1.05 0.00 0.00 58.31 56.17 1a4b n LYS 38 Cb 0.11 -0.90 -0.06 0.00 -0.65 0.00 0.00 35.03 33.53 1a4b n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a4b s MET 39 N -0.35 4.00 0.57 -1.58 -1.94 -1.26 -4.68 119.30 114.06 1a4b s MET 39 Ca 0.00 0.67 -0.20 0.00 -1.71 0.00 0.00 55.69 54.45 1a4b s MET 39 Cb 0.00 -2.42 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 1a4b s MET 39 CO 0.00 0.15 1.25 0.00 -0.01 0.00 0.00 175.02 176.41 1a4b s ALA 40 N -2.00 2.65 0.39 3.03 0.00 -1.26 -0.07 121.76 124.51 1a4b s ALA 40 Ca 0.54 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.75 1a4b s ALA 40 Cb -0.10 -3.49 0.83 0.00 0.00 0.00 0.00 23.12 20.37 1a4b s ALA 40 CO 0.18 -1.20 1.89 1.57 0.00 0.00 0.00 175.76 178.19 1a4b h LYS 41 N 1.15 0.00 0.00 0.00 2.10 -1.86 0.60 116.57 118.57 1a4b h LYS 41 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1a4b h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1a4b h LYS 41 CO 0.56 0.30 0.00 0.66 -2.00 0.00 0.00 179.45 178.97 1a4b h SER 42 N 0.00 0.00 0.12 7.07 4.64 -1.95 -1.01 113.55 122.43 1a4b h SER 42 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1a4b h SER 42 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1a4b h SER 42 CO 0.04 0.00 -1.76 0.00 -0.87 0.00 0.00 176.83 174.24 1a4b h ALA 43 N 2.14 0.31 0.00 5.18 0.00 -1.51 -3.44 119.26 121.94 1a4b h ALA 43 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 54.91 53.42 1a4b h ALA 43 Cb 0.59 0.62 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1a4b h ALA 43 CO 0.00 1.10 -0.36 -0.12 0.00 0.00 0.00 179.25 179.87 1a4b n MET 44 N -3.69 1.08 -1.34 0.00 0.00 0.06 -4.99 117.12 108.23 1a4b n MET 44 Ca -0.29 -1.81 -0.31 0.00 -0.00 0.00 0.00 57.70 55.29 1a4b n MET 44 Cb 0.99 -0.41 0.08 0.00 0.00 0.00 0.00 33.22 33.88 1a4b n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1a4b s GLY 45 N -1.18 1.67 0.02 -5.12 0.00 -0.39 -4.76 107.32 97.57 1a4b s GLY 45 Ca 0.21 0.18 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 1a4b s GLY 45 CO -0.07 0.53 0.17 0.30 0.00 0.00 0.00 173.10 174.03 1a4b s HIS 46 N -2.95 0.05 0.00 1.90 3.76 -0.41 -4.84 115.29 112.81 1a4b s HIS 46 Ca 0.60 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 1a4b s HIS 46 Cb -0.16 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.49 1a4b s HIS 46 CO 0.56 -0.38 0.00 0.27 -0.85 0.00 0.00 174.74 174.34 1a4b n ASN 47 N 0.96 0.42 -3.68 1.40 0.23 -1.26 -1.13 115.26 112.20 1a4b n ASN 47 Ca -0.20 -0.95 -0.19 0.00 -0.53 0.00 0.00 54.58 52.71 1a4b n ASN 47 Cb 0.58 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.10 1a4b n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1a4b s TRP 48 N -1.73 -0.00 -0.06 -2.53 -0.00 -1.26 -4.39 118.94 108.97 1a4b s TRP 48 Ca 0.00 0.33 0.05 0.00 -0.00 0.00 0.00 56.10 56.49 1a4b s TRP 48 Cb 0.00 -0.39 -0.01 0.00 -0.00 0.00 0.00 33.47 33.07 1a4b s TRP 48 CO 0.00 -0.20 -0.22 0.08 -0.00 0.00 0.00 176.95 176.61 1a4b s VAL 49 N 2.06 1.84 -0.16 5.86 1.01 0.14 -1.01 120.40 130.14 1a4b s VAL 49 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1a4b s VAL 49 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1a4b s VAL 49 CO -0.04 0.52 -0.16 -0.22 0.00 0.00 0.00 175.10 175.20 1a4b s LEU 50 N -0.05 2.40 0.21 3.92 2.96 -0.26 -1.13 118.68 126.74 1a4b s LEU 50 Ca -0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1a4b s LEU 50 Cb -0.13 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1a4b s LEU 50 CO 0.04 0.07 0.22 0.42 -1.32 0.00 0.00 176.35 175.78 1a4b s THR 51 N 0.90 0.00 0.66 3.68 -4.23 -0.05 -1.09 115.64 115.52 1a4b s THR 51 Ca -0.04 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1a4b s THR 51 Cb -0.15 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1a4b s THR 51 CO -0.02 0.00 1.23 -0.54 -0.54 0.00 0.00 174.62 174.75 1a4b s LYS 52 N -4.11 2.53 0.33 3.99 1.02 -1.26 -0.80 119.74 121.43 1a4b s LYS 52 Ca 0.35 1.84 0.04 0.00 0.02 0.00 0.00 55.97 58.22 1a4b s LYS 52 Cb 0.05 -1.87 0.57 0.00 -0.52 0.00 0.00 37.83 36.06 1a4b s LYS 52 CO 0.11 -1.56 1.84 0.93 -0.92 0.00 0.00 175.35 175.76 1a4b h GLU 53 N 0.30 0.51 0.00 1.68 5.08 -1.91 -1.42 114.58 118.81 1a4b h GLU 53 Ca -0.49 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1a4b h GLU 53 Cb 1.31 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1a4b h GLU 53 CO 0.52 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 179.11 1a4b h ALA 54 N 1.46 1.00 -0.01 3.43 0.00 -1.94 -2.76 119.26 120.44 1a4b h ALA 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a4b h ALA 54 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a4b h ALA 54 CO 0.02 0.00 -0.58 -0.25 0.00 0.00 0.00 179.25 178.44 1a4b n ASP 55 N -3.00 1.79 -0.12 0.00 8.00 -0.55 -4.62 116.55 118.05 1a4b n ASP 55 Ca -0.01 -1.39 -0.04 0.00 0.71 0.00 0.00 54.79 54.05 1a4b n ASP 55 Cb 0.20 0.59 0.02 0.00 -0.02 0.00 0.00 41.12 41.92 1a4b n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1a4b h LYS 56 N 1.89 0.05 -0.41 -1.24 3.64 -1.27 -0.92 116.57 118.31 1a4b h LYS 56 Ca 0.00 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1a4b h LYS 56 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1a4b h LYS 56 CO 0.00 0.03 -0.27 1.49 -2.27 0.00 0.00 179.45 178.43 1a4b h GLU 57 N 0.05 0.91 -0.19 1.90 4.81 -1.82 -0.20 114.58 120.04 1a4b h GLU 57 Ca 0.20 -0.43 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1a4b h GLU 57 Cb 0.30 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1a4b h GLU 57 CO -0.38 1.08 0.02 0.78 -0.73 0.00 0.00 179.01 179.78 1a4b h GLY 58 N 0.73 0.19 0.97 1.92 0.00 -1.77 -0.61 103.07 104.50 1a4b h GLY 58 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1a4b h GLY 58 CO 0.07 -0.01 0.25 -2.08 0.00 0.00 0.00 176.54 174.77 1a4b h VAL 59 N 0.09 1.17 -0.52 4.60 2.07 -1.07 -1.98 116.25 120.61 1a4b h VAL 59 Ca 0.08 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1a4b h VAL 59 Cb 0.09 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1a4b h VAL 59 CO -0.12 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.57 1a4b h ALA 60 N 1.09 0.71 -0.17 1.67 0.00 -0.78 0.46 119.26 122.24 1a4b h ALA 60 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a4b h ALA 60 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a4b h ALA 60 CO -0.02 0.60 0.06 1.15 0.00 0.00 0.00 179.25 181.04 1a4b h THR 61 N 0.84 1.17 0.00 0.00 2.02 -1.07 -0.06 112.91 115.81 1a4b h THR 61 Ca 0.14 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1a4b h THR 61 Cb 0.64 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1a4b h THR 61 CO 0.04 0.17 -0.17 0.44 0.37 0.00 0.00 175.52 176.37 1a4b h ASP 62 N 0.11 0.00 0.03 4.18 3.32 -1.31 -1.73 116.42 121.01 1a4b h ASP 62 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1a4b h ASP 62 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1a4b h ASP 62 CO -0.00 0.17 -0.01 1.23 -1.72 0.00 0.00 179.24 178.90 1a4b h GLY 63 N 2.48 -0.04 0.21 2.75 0.00 0.16 -1.77 103.07 106.87 1a4b h GLY 63 Ca -0.00 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.43 1a4b h GLY 63 CO 0.02 -0.01 -0.04 1.98 0.00 0.00 0.00 176.54 178.49 1a4b h MET 64 N -0.49 0.06 0.00 4.80 1.85 -0.82 -0.58 114.93 119.75 1a4b h MET 64 Ca -0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1a4b h MET 64 Cb 0.46 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.47 1a4b h MET 64 CO 0.01 0.04 0.00 -0.91 -0.40 0.00 0.00 176.91 175.65 1a4b h ASN 65 N 0.06 0.00 1.66 1.39 2.35 -1.27 -2.98 115.58 116.79 1a4b h ASN 65 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1a4b h ASN 65 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1a4b h ASN 65 CO -0.40 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.38 1a4b h ALA 66 N 2.10 1.00 0.00 -0.83 0.00 -0.17 -3.50 119.26 117.86 1a4b h ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a4b h ALA 66 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a4b h ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1a4b n GLY 67 N 0.84 -1.20 0.21 0.00 0.00 -1.13 -4.33 105.19 99.59 1a4b n GLY 67 Ca 0.03 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.47 1a4b n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4b h LEU 68 N 0.00 0.21 -2.35 0.99 5.85 -1.92 -1.13 115.31 116.96 1a4b h LEU 68 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1a4b h LEU 68 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1a4b h LEU 68 CO 0.00 0.52 -0.02 0.00 -0.34 0.00 0.00 178.44 178.60 1a4b h ALA 69 N 1.49 1.08 -0.65 1.25 0.00 -2.02 -0.50 119.26 119.93 1a4b h ALA 69 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a4b h ALA 69 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1a4b h ALA 69 CO 0.05 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1a4b n GLN 70 N -3.23 3.43 -2.94 0.00 1.13 -0.75 -4.92 117.38 110.10 1a4b n GLN 70 Ca -0.02 -2.71 -0.19 0.00 -1.94 0.00 0.00 57.00 52.14 1a4b n GLN 70 Cb 0.17 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.71 1a4b n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a4b n ASP 71 N 1.19 -4.37 -4.07 1.08 8.00 -0.19 -2.04 116.55 116.14 1a4b n ASP 71 Ca 0.25 -0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 1a4b n ASP 71 Cb 0.81 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 38.28 1a4b n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a4b n TYR 72 N -3.88 -1.94 -3.91 1.24 4.01 -0.50 -4.62 117.16 107.56 1a4b n TYR 72 Ca -0.09 0.83 -0.21 0.00 -0.16 0.00 0.00 57.90 58.27 1a4b n TYR 72 Cb 0.59 -3.45 -0.17 0.00 -0.31 0.00 0.00 39.34 36.00 1a4b n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a4b s VAL 73 N -3.38 0.39 0.17 -0.72 1.01 -0.87 -4.02 120.40 112.98 1a4b s VAL 73 Ca 0.61 0.04 -0.33 0.00 0.00 0.00 0.00 61.98 62.30 1a4b s VAL 73 Cb -0.32 -0.50 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 1a4b s VAL 73 CO 0.89 0.23 1.64 1.17 0.00 0.00 0.00 175.10 179.02 1a4b n LYS 74 N 4.65 2.35 -1.73 2.72 4.81 -1.26 -4.84 118.16 124.87 1a4b n LYS 74 Ca -0.15 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.71 1a4b n LYS 74 Cb 0.50 -2.64 -0.02 0.00 0.02 0.00 0.00 35.03 32.89 1a4b n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a4b n ALA 75 N 3.74 2.26 -1.80 3.14 0.00 -1.26 -2.25 120.51 124.34 1a4b n ALA 75 Ca 0.17 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.83 1a4b n ALA 75 Cb 0.31 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.28 1a4b n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4b n GLY 76 N 2.38 0.93 3.66 0.00 0.00 -1.26 -4.92 105.19 105.97 1a4b n GLY 76 Ca 0.10 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1a4b n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4b s ASP 77 N -2.61 6.65 0.48 1.61 -1.08 -0.95 -4.87 116.67 115.89 1a4b s ASP 77 Ca 0.00 2.11 0.20 0.00 -0.52 0.00 0.00 52.55 54.33 1a4b s ASP 77 Cb 0.00 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.12 1a4b s ASP 77 CO 0.00 -0.96 2.02 0.71 0.52 0.00 0.00 175.17 177.47 1a4b h THR 78 N 5.65 0.90 0.00 1.71 1.35 -1.91 -2.05 112.91 118.55 1a4b h THR 78 Ca -0.37 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1a4b h THR 78 Cb 1.17 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1a4b h THR 78 CO 0.96 0.16 0.00 0.54 -0.25 0.00 0.00 175.52 176.93 1a4b n ARG 79 N -4.03 0.13 -2.98 4.72 1.74 -1.26 -4.74 116.66 110.24 1a4b n ARG 79 Ca -0.02 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 1a4b n ARG 79 Cb 0.24 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 1a4b n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4b s VAL 80 N -3.07 4.73 0.16 1.55 1.01 -0.77 -4.42 120.40 119.58 1a4b s VAL 80 Ca 0.11 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1a4b s VAL 80 Cb 0.14 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 1a4b s VAL 80 CO 0.53 -0.51 1.38 0.40 0.00 0.00 0.00 175.10 176.90 1a4b h ILE 81 N 5.82 1.47 -1.37 2.22 2.04 -1.40 -3.47 117.51 122.82 1a4b h ILE 81 Ca -0.25 -2.55 0.17 0.00 1.00 0.00 0.00 64.86 63.23 1a4b h ILE 81 Cb 1.09 2.42 -0.24 0.00 -0.74 0.00 0.00 36.82 39.36 1a4b h ILE 81 CO 0.92 0.75 0.74 0.00 0.00 0.00 0.00 178.15 180.55 1a4b s ALA 82 N -3.26 -2.02 -0.05 1.87 0.00 -1.23 -4.87 121.76 112.20 1a4b s ALA 82 Ca -0.03 1.70 -0.22 0.00 0.00 0.00 0.00 51.96 53.41 1a4b s ALA 82 Cb 0.10 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.32 1a4b s ALA 82 CO 0.83 -0.32 0.48 -3.38 0.00 0.00 0.00 175.76 173.37 1a4b s HIS 83 N -1.27 -0.42 0.77 0.00 -3.43 -1.26 -1.10 115.29 108.58 1a4b s HIS 83 Ca 0.04 0.76 -0.03 0.00 -0.80 0.00 0.00 55.06 55.03 1a4b s HIS 83 Cb -0.01 0.23 0.15 0.00 -1.43 0.00 0.00 32.58 31.52 1a4b s HIS 83 CO -0.03 -0.46 1.06 0.95 -2.00 0.00 0.00 174.74 174.26 1a4b s THR 84 N -1.05 2.08 0.74 -5.38 -4.23 -0.18 -4.85 115.64 102.76 1a4b s THR 84 Ca -0.11 -0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1a4b s THR 84 Cb -0.03 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1a4b s THR 84 CO 0.06 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.71 1a4b s LYS 85 N -5.29 2.40 -0.07 3.99 1.02 -1.26 -4.66 119.74 115.87 1a4b s LYS 85 Ca 0.68 0.19 -0.25 0.00 0.02 0.00 0.00 55.97 56.62 1a4b s LYS 85 Cb -0.05 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1a4b s LYS 85 CO 0.46 -1.28 0.75 0.08 -0.92 0.00 0.00 175.35 174.45 1a4b s VAL 86 N -3.41 5.00 0.26 3.17 1.01 -1.26 -4.44 120.40 120.72 1a4b s VAL 86 Ca 0.60 1.55 0.12 0.00 0.00 0.00 0.00 61.98 64.24 1a4b s VAL 86 Cb -0.11 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1a4b s VAL 86 CO 0.49 0.21 -0.21 0.27 0.00 0.00 0.00 175.10 175.87 1a4b s ILE 87 N 0.99 2.45 0.25 2.22 -4.36 -0.28 -4.90 121.20 117.58 1a4b s ILE 87 Ca 0.40 -2.31 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1a4b s ILE 87 Cb -0.18 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.30 1a4b s ILE 87 CO 0.19 -0.33 0.23 0.61 0.24 0.00 0.00 174.94 175.88 1a4b n GLY 88 N -0.39 2.70 3.70 6.27 0.00 -1.26 -1.29 105.19 114.92 1a4b n GLY 88 Ca -0.07 -2.22 -0.44 0.00 0.00 0.00 0.00 46.02 43.30 1a4b n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4b n GLY 89 N 1.93 1.07 2.11 -0.02 0.00 0.90 -2.36 105.19 108.82 1a4b n GLY 89 Ca 0.01 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.53 1a4b n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4b n GLY 90 N 2.47 0.52 3.72 -0.02 0.00 -0.62 -4.84 105.19 106.41 1a4b n GLY 90 Ca 0.12 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1a4b n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4b s GLU 91 N -1.27 2.16 0.09 1.61 2.02 -0.99 -4.98 118.70 117.35 1a4b s GLU 91 Ca 0.00 -1.92 -0.06 0.00 0.02 0.00 0.00 54.97 53.01 1a4b s GLU 91 Cb 0.00 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 1a4b s GLU 91 CO 0.00 -0.12 0.13 -1.54 0.02 0.00 0.00 175.26 173.76 1a4b s SER 92 N -3.87 0.22 -0.06 -0.19 1.04 -1.26 -1.16 113.70 108.41 1a4b s SER 92 Ca 0.39 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 1a4b s SER 92 Cb 0.05 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1a4b s SER 92 CO 0.21 -0.71 0.42 -0.62 0.98 0.00 0.00 173.24 173.52 1a4b s ASP 93 N -2.90 -0.36 0.28 7.02 2.15 -0.16 -5.00 116.67 117.70 1a4b s ASP 93 Ca 0.08 0.44 0.11 0.00 0.43 0.00 0.00 52.55 53.61 1a4b s ASP 93 Cb 0.06 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 43.15 1a4b s ASP 93 CO -0.09 -0.40 -0.17 -0.44 -0.17 0.00 0.00 175.17 173.90 1a4b s SER 94 N -0.86 3.46 -0.08 -0.34 0.01 -1.26 -0.76 113.70 113.87 1a4b s SER 94 Ca -0.09 -1.06 -0.07 0.00 1.31 0.00 0.00 55.95 56.04 1a4b s SER 94 Cb -0.04 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1a4b s SER 94 CO 0.04 -0.04 0.21 0.54 0.41 0.00 0.00 173.24 174.41 1a4b s VAL 95 N -2.60 -0.01 -0.09 3.43 0.11 -0.64 -4.87 120.40 115.73 1a4b s VAL 95 Ca 0.29 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1a4b s VAL 95 Cb -0.03 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1a4b s VAL 95 CO 0.14 0.01 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.89 1a4b s THR 96 N 0.36 3.00 0.21 5.04 2.01 -1.26 -0.81 115.64 124.19 1a4b s THR 96 Ca -0.02 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1a4b s THR 96 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1a4b s THR 96 CO -0.02 0.56 0.02 0.72 -0.69 0.00 0.00 174.62 175.21 1a4b s PHE 97 N -0.21 1.39 -0.25 4.92 -0.71 -0.07 -4.95 117.98 118.09 1a4b s PHE 97 Ca 0.00 -1.02 -0.27 0.00 -1.04 0.00 0.00 56.93 54.61 1a4b s PHE 97 Cb -0.13 -0.80 0.00 0.00 -1.21 0.00 0.00 43.02 40.88 1a4b s PHE 97 CO 0.03 -0.18 0.93 0.34 -1.34 0.00 0.00 175.22 175.01 1a4b s ASP 98 N -3.24 6.93 0.57 1.98 2.15 -1.26 -1.42 116.67 122.38 1a4b s ASP 98 Ca 0.28 1.13 0.37 0.00 0.43 0.00 0.00 52.55 54.76 1a4b s ASP 98 Cb 0.06 -2.49 1.80 0.00 -0.30 0.00 0.00 42.92 42.00 1a4b s ASP 98 CO 0.07 -0.63 2.12 0.58 -0.17 0.00 0.00 175.17 177.15 1a4b h VAL 99 N 5.49 0.00 0.00 1.11 2.07 -1.31 -2.00 116.25 121.61 1a4b h VAL 99 Ca -0.21 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1a4b h VAL 99 Cb 1.08 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1a4b h VAL 99 CO 0.93 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.98 1a4b n SER 100 N -2.98 0.00 0.07 0.57 3.41 -1.26 -0.67 113.62 112.76 1a4b n SER 100 Ca -0.01 -0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1a4b n SER 100 Cb 0.18 -0.21 0.44 0.00 -0.26 0.00 0.00 64.21 64.36 1a4b n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4b n LYS 101 N -1.21 0.12 -4.00 4.33 5.02 -0.75 -4.78 118.16 116.89 1a4b n LYS 101 Ca 0.10 0.29 -0.31 0.00 -2.02 0.00 0.00 58.31 56.37 1a4b n LYS 101 Cb 0.12 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1a4b n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a4b s LEU 102 N -3.86 4.03 -0.12 -0.35 1.43 0.15 -5.10 118.68 114.86 1a4b s LEU 102 Ca 0.07 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1a4b s LEU 102 Cb 0.11 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1a4b s LEU 102 CO 0.40 0.18 -0.12 -0.89 0.23 0.00 0.00 176.35 176.15 1a4b s THR 103 N -1.42 3.17 0.44 5.49 2.01 -1.26 -5.04 115.64 119.03 1a4b s THR 103 Ca 0.31 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 1a4b s THR 103 Cb -0.12 -2.33 -0.10 0.00 0.01 0.00 0.00 72.50 69.96 1a4b s THR 103 CO 0.24 0.53 1.07 -2.65 -0.69 0.00 0.00 174.62 173.12 1a4b n PRO 104 N 3.30 1.46 0.00 4.92 -0.02 -1.26 -2.43 135.00 140.97 1a4b n PRO 104 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1a4b n PRO 104 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1a4b n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4b n GLY 105 N 1.10 2.53 3.75 -1.23 0.00 -1.26 -5.03 105.19 105.05 1a4b n GLY 105 Ca 0.09 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1a4b n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4b s GLU 106 N 0.00 4.70 -0.10 1.61 2.02 -1.02 -5.02 118.70 120.89 1a4b s GLU 106 Ca 0.00 1.70 -0.14 0.00 0.02 0.00 0.00 54.97 56.55 1a4b s GLU 106 Cb 0.00 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1a4b s GLU 106 CO 0.00 0.30 0.33 0.00 0.02 0.00 0.00 175.26 175.91 1a4b s ALA 107 N -1.10 3.64 0.14 5.21 0.00 -1.26 -4.49 121.76 123.89 1a4b s ALA 107 Ca 0.44 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1a4b s ALA 107 Cb -0.30 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1a4b s ALA 107 CO 0.38 0.25 -0.05 0.71 0.00 0.00 0.00 175.76 177.05 1a4b s TYR 108 N -0.11 2.81 -0.23 0.00 2.02 0.52 -4.34 117.35 118.02 1a4b s TYR 108 Ca 0.20 -0.14 -0.14 0.00 -0.37 0.00 0.00 57.07 56.62 1a4b s TYR 108 Cb -0.14 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1a4b s TYR 108 CO 0.07 0.48 0.32 0.00 -1.57 0.00 0.00 175.55 174.86 1a4b s ALA 109 N -1.48 3.57 -0.01 3.71 0.00 0.02 -0.69 121.76 126.87 1a4b s ALA 109 Ca 0.25 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1a4b s ALA 109 Cb -0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 1a4b s ALA 109 CO 0.16 -0.34 -0.21 1.52 0.00 0.00 0.00 175.76 176.89 1a4b s TYR 110 N 1.40 2.49 0.30 0.00 -0.85 -0.46 -0.87 117.35 119.36 1a4b s TYR 110 Ca 0.15 -0.31 -0.18 0.00 -0.52 0.00 0.00 57.07 56.20 1a4b s TYR 110 Cb -0.15 -1.53 0.03 0.00 0.38 0.00 0.00 41.96 40.69 1a4b s TYR 110 CO 0.07 0.10 0.71 -0.59 -1.52 0.00 0.00 175.55 174.32 1a4b s PHE 111 N -0.72 -0.03 -0.21 -3.49 -0.71 -0.28 -0.29 117.98 112.25 1a4b s PHE 111 Ca 0.11 -0.47 -0.07 0.00 -1.04 0.00 0.00 56.93 55.47 1a4b s PHE 111 Cb -0.10 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1a4b s PHE 111 CO 0.01 -1.29 0.05 0.00 -1.34 0.00 0.00 175.22 172.64 1a4b n SER 113 N 4.23 3.38 -4.77 0.00 3.41 -1.26 -1.63 113.62 116.97 1a4b n SER 113 Ca -0.16 -2.20 -0.41 0.00 -0.26 0.00 0.00 58.87 55.83 1a4b n SER 113 Cb 0.52 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1a4b n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a4b s PHE 114 N -1.57 2.81 -0.40 7.33 5.36 -1.26 -4.28 117.98 125.97 1a4b s PHE 114 Ca 0.37 1.24 -0.44 0.00 -0.96 0.00 0.00 56.93 57.15 1a4b s PHE 114 Cb 0.22 -3.87 -0.18 0.00 -0.34 0.00 0.00 43.02 38.86 1a4b s PHE 114 CO 0.21 -2.53 1.68 -2.30 -1.46 0.00 0.00 175.22 170.82 1a4b n PRO 115 N 0.80 0.56 -0.48 10.12 -0.02 -1.26 -0.85 135.00 143.87 1a4b n PRO 115 Ca 0.01 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1a4b n PRO 115 Cb 0.40 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1a4b n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4b n GLY 116 N 4.16 1.13 0.04 -1.23 0.00 -1.26 -4.92 105.19 103.10 1a4b n GLY 116 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1a4b n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a4b n HIS 117 N -2.00 0.14 -0.27 1.61 8.25 -0.03 -4.70 115.22 118.23 1a4b n HIS 117 Ca 0.00 0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 1a4b n HIS 117 Cb 0.00 -0.66 0.38 0.00 1.12 0.00 0.00 29.99 30.83 1a4b n HIS 117 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1a4b h TRP 118 N 0.00 0.81 -0.00 4.41 5.08 -1.47 0.90 115.95 125.68 1a4b h TRP 118 Ca -0.11 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.89 1a4b h TRP 118 Cb 1.25 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 1a4b h TRP 118 CO 0.00 0.30 -0.45 0.00 -1.28 0.00 0.00 178.44 177.01 1a4b n ALA 119 N -2.43 3.43 -0.08 0.11 0.00 -1.26 -4.32 120.51 115.96 1a4b n ALA 119 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1a4b n ALA 119 Cb 0.47 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1a4b n ALA 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a4b n MET 120 N -1.43 0.35 -2.93 0.00 2.81 -0.63 -4.87 117.12 110.43 1a4b n MET 120 Ca 0.06 0.11 -0.44 0.00 -1.81 0.00 0.00 57.70 55.63 1a4b n MET 120 Cb 0.34 -1.19 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 1a4b n MET 120 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1a4b s HIS 121 N -2.29 2.93 0.28 2.03 5.04 0.21 -4.76 115.29 118.74 1a4b s HIS 121 Ca -0.21 -1.01 -0.20 0.00 -1.54 0.00 0.00 55.06 52.10 1a4b s HIS 121 Cb 0.07 -4.24 0.04 0.00 0.04 0.00 0.00 32.58 28.48 1a4b s HIS 121 CO 0.31 -1.52 0.79 -1.59 -2.34 0.00 0.00 174.74 170.39 1a4b s LYS 122 N 3.20 1.78 0.05 2.88 -2.85 -1.26 -1.12 119.74 122.42 1a4b s LYS 122 Ca 0.25 -1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 54.07 1a4b s LYS 122 Cb -0.12 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1a4b s LYS 122 CO 0.00 -0.82 0.53 0.41 0.10 0.00 0.00 175.35 175.57 1a4b n GLY 123 N -0.49 0.77 3.23 0.59 0.00 0.60 -4.71 105.19 105.18 1a4b n GLY 123 Ca -0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1a4b n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4b s THR 124 N -2.24 1.82 -0.04 2.61 2.01 -0.48 -1.35 115.64 117.97 1a4b s THR 124 Ca 0.12 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1a4b s THR 124 Cb -0.01 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1a4b s THR 124 CO 0.01 0.51 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.04 1a4b s LEU 125 N -0.22 2.39 0.02 4.42 0.20 0.13 -0.69 118.68 124.93 1a4b s LEU 125 Ca -0.00 -0.34 -0.03 0.00 0.69 0.00 0.00 54.13 54.45 1a4b s LEU 125 Cb -0.12 -1.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.18 1a4b s LEU 125 CO 0.02 0.32 0.03 -0.54 -0.29 0.00 0.00 176.35 175.89 1a4b s LYS 126 N -0.56 0.43 -0.21 1.98 1.02 -0.33 -0.36 119.74 121.71 1a4b s LYS 126 Ca 0.08 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.28 1a4b s LYS 126 Cb -0.11 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1a4b s LYS 126 CO 0.01 -0.09 0.35 -1.17 -0.92 0.00 0.00 175.35 173.52 1a4b s LEU 127 N -1.70 4.15 0.02 3.17 2.96 -1.26 -0.75 118.68 125.26 1a4b s LEU 127 Ca -0.12 0.43 -0.24 0.00 -0.22 0.00 0.00 54.13 53.98 1a4b s LEU 127 Cb -0.06 -2.43 0.06 0.00 0.50 0.00 0.00 46.19 44.26 1a4b s LEU 127 CO -0.02 -0.05 0.55 -0.55 -1.32 0.00 0.00 176.35 174.96 1a4b s SER 128 N 1.05 -0.49 0.00 3.68 0.15 0.02 -4.57 113.70 113.54 1a4b s SER 128 Ca 0.17 0.31 0.07 0.00 0.70 0.00 0.00 55.95 57.20 1a4b s SER 128 Cb -0.14 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 64.72 1a4b s SER 128 CO 0.07 -0.68 0.72 -0.46 1.20 0.00 0.00 173.24 174.10