#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uri n GLN 2 N 0.00 0.00 -2.12 0.00 0.00 -1.26 -5.09 117.38 108.91 1uri n GLN 2 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 1uri n GLN 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1uri n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1uri s GLU 4 N -3.72 0.31 0.01 0.00 2.02 -1.26 -1.22 118.70 114.84 1uri s GLU 4 Ca 0.51 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.51 1uri s GLU 4 Cb 0.42 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.79 1uri s GLU 4 CO -0.18 -0.06 0.01 0.00 0.02 0.00 0.00 175.26 175.05 1uri s ALA 5 N -0.44 0.00 -0.12 5.21 0.00 -0.80 -4.97 121.76 120.64 1uri s ALA 5 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1uri s ALA 5 Cb -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1uri s ALA 5 CO 0.01 -0.10 0.03 0.99 0.00 0.00 0.00 175.76 176.69 1uri s THR 6 N -0.81 4.52 -0.02 0.00 2.01 -1.26 -1.03 115.64 119.04 1uri s THR 6 Ca -0.09 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1uri s THR 6 Cb -0.06 -2.95 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 1uri s THR 6 CO -0.00 0.56 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.86 1uri s ILE 7 N -0.47 1.00 0.04 1.82 2.07 -0.10 -4.94 121.20 120.63 1uri s ILE 7 Ca 0.09 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.86 1uri s ILE 7 Cb -0.12 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1uri s ILE 7 CO 0.02 0.30 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.73 1uri s GLU 8 N -0.01 2.64 0.08 3.50 2.02 -1.26 -1.10 118.70 124.56 1uri s GLU 8 Ca -0.00 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1uri s GLU 8 Cb -0.08 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1uri s GLU 8 CO 0.00 0.58 -0.15 -1.54 0.02 0.00 0.00 175.26 174.18 1uri s SER 9 N -1.91 1.76 0.00 -0.19 1.04 -0.08 -1.05 113.70 113.27 1uri s SER 9 Ca 0.22 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1uri s SER 9 Cb -0.12 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1uri s SER 9 CO 0.14 -0.07 0.00 -0.46 0.98 0.00 0.00 173.24 173.83 1uri n ASN 10 N 1.22 0.72 -1.58 7.02 0.23 -1.23 0.13 115.26 121.77 1uri n ASN 10 Ca -0.21 -0.01 -0.11 0.00 -0.53 0.00 0.00 54.58 53.72 1uri n ASN 10 Cb 0.54 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.30 1uri n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1uri n ASP 11 N -0.02 4.11 -0.92 0.53 8.00 -1.26 -4.26 116.55 122.72 1uri n ASP 11 Ca 0.00 -2.73 0.01 0.00 0.71 0.00 0.00 54.79 52.79 1uri n ASP 11 Cb 0.00 -0.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.35 1uri n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uri n ALA 12 N 0.03 2.21 -3.67 2.24 0.00 -1.26 -5.02 120.51 115.04 1uri n ALA 12 Ca 0.24 -1.49 -0.23 0.00 0.00 0.00 0.00 53.44 51.96 1uri n ALA 12 Cb 0.86 -0.57 0.05 0.00 0.00 0.00 0.00 19.45 19.79 1uri n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1uri n MET 13 N 0.20 -6.07 -3.93 0.00 2.81 -1.26 -5.00 117.12 103.87 1uri n MET 13 Ca 0.01 0.71 -0.10 0.00 -1.81 0.00 0.00 57.70 56.52 1uri n MET 13 Cb 0.87 -5.55 -0.10 0.00 -0.71 0.00 0.00 33.22 27.73 1uri n MET 13 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1uri s GLN 14 N -6.05 0.49 0.14 0.03 -2.07 -1.26 -4.17 119.66 106.77 1uri s GLN 14 Ca 0.27 -0.63 0.02 0.00 -1.82 0.00 0.00 55.36 53.21 1uri s GLN 14 Cb -0.13 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1uri s GLN 14 CO 0.78 -0.11 0.27 0.71 -1.32 0.00 0.00 175.29 175.62 1uri s TYR 15 N -2.01 3.48 -0.97 9.60 2.02 -1.26 -3.50 117.35 124.71 1uri s TYR 15 Ca -0.10 0.13 0.25 0.00 -0.37 0.00 0.00 57.07 56.98 1uri s TYR 15 Cb -0.05 -1.67 1.06 0.00 -0.40 0.00 0.00 41.96 40.90 1uri s TYR 15 CO -0.02 0.53 1.81 0.27 -1.57 0.00 0.00 175.55 176.57 1uri n ASN 16 N -0.43 0.08 -4.19 2.29 2.04 -0.22 -4.73 115.26 110.10 1uri n ASN 16 Ca -0.07 0.51 -0.32 0.00 -0.44 0.00 0.00 54.58 54.27 1uri n ASN 16 Cb 0.54 -0.53 -0.17 0.00 -2.53 0.00 0.00 39.78 37.09 1uri n ASN 16 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1uri s LEU 17 N -3.16 2.06 0.04 -4.53 1.43 -1.26 -5.00 118.68 108.27 1uri s LEU 17 Ca 0.12 -0.55 0.22 0.00 -1.03 0.00 0.00 54.13 52.89 1uri s LEU 17 Cb 0.16 -1.38 -0.11 0.00 0.03 0.00 0.00 46.19 44.90 1uri s LEU 17 CO 0.47 0.13 0.85 2.29 0.23 0.00 0.00 176.35 180.32 1uri n LYS 18 N 3.70 0.42 -3.76 1.70 -0.00 -1.26 -4.80 118.16 114.15 1uri n LYS 18 Ca -0.19 -0.04 -0.13 0.00 -0.00 0.00 0.00 58.31 57.94 1uri n LYS 18 Cb 0.52 -1.60 -0.09 0.00 -0.00 0.00 0.00 35.03 33.87 1uri n LYS 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1uri s GLU 19 N -3.30 0.68 -0.01 -1.58 -1.05 -1.26 -1.51 118.70 110.68 1uri s GLU 19 Ca -0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.64 1uri s GLU 19 Cb 0.14 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1uri s GLU 19 CO 0.84 -0.19 -0.07 -1.64 0.95 0.00 0.00 175.26 175.15 1uri s MET 20 N -1.39 0.63 -0.19 -4.83 -1.94 0.19 -4.93 119.30 106.84 1uri s MET 20 Ca -0.13 -0.25 -0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1uri s MET 20 Cb -0.05 -0.61 0.01 0.00 2.01 0.00 0.00 34.83 36.19 1uri s MET 20 CO 0.04 0.13 -0.15 0.08 -0.01 0.00 0.00 175.02 175.11 1uri s VAL 21 N -0.04 2.49 -0.20 -6.03 1.01 -1.26 -1.75 120.40 114.62 1uri s VAL 21 Ca 0.01 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1uri s VAL 21 Cb -0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1uri s VAL 21 CO -0.00 0.50 0.55 -0.69 0.00 0.00 0.00 175.10 175.46 1uri s VAL 22 N 1.28 5.08 0.24 2.92 1.01 0.19 -4.87 120.40 126.25 1uri s VAL 22 Ca 0.04 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1uri s VAL 22 Cb -0.14 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1uri s VAL 22 CO -0.09 0.16 1.11 -0.62 0.00 0.00 0.00 175.10 175.66 1uri s ASP 23 N 1.16 7.25 0.00 3.32 2.15 -1.26 -0.27 116.67 129.02 1uri s ASP 23 Ca 0.25 2.21 0.03 0.00 0.43 0.00 0.00 52.55 55.47 1uri s ASP 23 Cb -0.16 -2.62 0.13 0.00 -0.30 0.00 0.00 42.92 39.98 1uri s ASP 23 CO 0.10 -0.19 1.09 0.29 -0.17 0.00 0.00 175.17 176.30 1uri n LYS 24 N 1.70 0.00 -0.04 4.34 5.02 -1.26 -1.68 118.16 126.24 1uri n LYS 24 Ca 0.01 0.45 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 1uri n LYS 24 Cb 0.45 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.44 1uri n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1uri n SER 25 N -1.50 0.93 -4.74 4.39 3.41 -1.26 -4.87 113.62 109.99 1uri n SER 25 Ca 0.01 -1.55 -0.38 0.00 -0.26 0.00 0.00 58.87 56.68 1uri n SER 25 Cb 0.04 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1uri n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uri n LYS 27 N 3.29 0.65 -4.26 0.00 4.81 -1.26 -4.75 118.16 116.63 1uri n LYS 27 Ca -0.07 0.25 -0.16 0.00 -0.87 0.00 0.00 58.31 57.46 1uri n LYS 27 Cb 0.51 -1.75 -0.10 0.00 0.02 0.00 0.00 35.03 33.71 1uri n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1uri s GLN 28 N -2.58 1.08 -0.00 1.64 -0.21 -1.26 -1.75 119.66 116.58 1uri s GLN 28 Ca -0.07 -1.39 0.03 0.00 0.02 0.00 0.00 55.36 53.94 1uri s GLN 28 Cb 0.08 -0.77 -0.01 0.00 1.00 0.00 0.00 33.01 33.30 1uri s GLN 28 CO 0.82 0.12 -0.09 0.12 -2.12 0.00 0.00 175.29 174.14 1uri s PHE 29 N -2.87 0.78 -0.07 0.91 5.36 -0.38 -4.83 117.98 116.87 1uri s PHE 29 Ca 0.15 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1uri s PHE 29 Cb -0.00 -0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 42.16 1uri s PHE 29 CO 0.02 -0.01 -0.18 0.99 -1.46 0.00 0.00 175.22 174.58 1uri s THR 30 N -0.29 2.67 -0.20 0.12 2.01 -0.36 -1.22 115.64 118.37 1uri s THR 30 Ca 0.03 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1uri s THR 30 Cb -0.04 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1uri s THR 30 CO -0.00 0.57 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 1uri s VAL 31 N -0.23 3.74 -0.35 3.82 1.01 -0.29 -1.91 120.40 126.19 1uri s VAL 31 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1uri s VAL 31 Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1uri s VAL 31 CO 0.03 0.43 0.16 -1.00 0.00 0.00 0.00 175.10 174.72 1uri s HIS 32 N 1.09 3.22 -0.07 5.22 3.76 -0.20 -1.74 115.29 126.56 1uri s HIS 32 Ca 0.02 -1.02 -0.21 0.00 -0.15 0.00 0.00 55.06 53.70 1uri s HIS 32 Cb -0.14 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1uri s HIS 32 CO 0.01 -0.63 0.60 -1.17 -0.85 0.00 0.00 174.74 172.70 1uri s LEU 33 N 1.52 4.32 -0.07 0.89 2.96 -0.33 -0.92 118.68 127.05 1uri s LEU 33 Ca 0.02 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 1uri s LEU 33 Cb -0.19 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.58 1uri s LEU 33 CO 0.05 -0.03 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.27 1uri s LYS 34 N 0.54 2.68 -0.42 1.98 1.02 -0.26 -1.59 119.74 123.69 1uri s LYS 34 Ca 0.32 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 55.28 1uri s LYS 34 Cb -0.17 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1uri s LYS 34 CO 0.15 0.34 0.31 -1.58 -0.92 0.00 0.00 175.35 173.65 1uri s HIS 35 N -0.06 3.24 -2.13 3.18 5.65 -0.31 -0.91 115.29 123.96 1uri s HIS 35 Ca -0.07 -0.71 0.20 0.00 0.25 0.00 0.00 55.06 54.73 1uri s HIS 35 Cb -0.15 -2.70 0.54 0.00 -1.18 0.00 0.00 32.58 29.10 1uri s HIS 35 CO 0.05 -0.64 1.45 1.33 -0.65 0.00 0.00 174.74 176.28 1uri n VAL 36 N 5.15 0.71 -0.99 0.89 0.24 0.12 -1.53 118.33 122.91 1uri n VAL 36 Ca -0.11 -0.78 -0.09 0.00 -2.04 0.00 0.00 64.34 61.32 1uri n VAL 36 Cb 0.46 0.53 0.07 0.00 -1.47 0.00 0.00 33.84 33.43 1uri n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uri n GLY 37 N 1.47 -1.84 0.06 7.63 0.00 -1.24 -4.84 105.19 106.42 1uri n GLY 37 Ca 0.20 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.65 1uri n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uri n LYS 38 N -2.15 1.36 -3.61 1.61 2.85 -1.26 -2.88 118.16 114.08 1uri n LYS 38 Ca 0.05 -1.17 -0.28 0.00 -1.05 0.00 0.00 58.31 55.86 1uri n LYS 38 Cb 0.18 -0.81 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 1uri n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1uri s MET 39 N -0.70 3.55 0.67 -1.58 -1.94 -1.26 -4.82 119.30 113.22 1uri s MET 39 Ca 0.03 -0.26 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 1uri s MET 39 Cb 0.03 -2.79 -0.00 0.00 2.01 0.00 0.00 34.83 34.08 1uri s MET 39 CO 0.00 0.36 1.06 0.00 -0.01 0.00 0.00 175.02 176.43 1uri s ALA 40 N -1.92 2.66 -0.26 3.03 0.00 -1.26 -0.42 121.76 123.59 1uri s ALA 40 Ca 0.40 0.20 0.27 0.00 0.00 0.00 0.00 51.96 52.83 1uri s ALA 40 Cb -0.11 -3.20 1.15 0.00 0.00 0.00 0.00 23.12 20.96 1uri s ALA 40 CO 0.29 -1.15 1.81 1.57 0.00 0.00 0.00 175.76 178.28 1uri h LYS 41 N -0.40 0.00 -0.28 0.00 2.10 -1.84 -1.14 116.57 115.01 1uri h LYS 41 Ca -0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1uri h LYS 41 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1uri h LYS 41 CO 0.56 0.00 0.12 -0.24 -2.00 0.00 0.00 179.45 177.90 1uri h VAL 42 N 0.00 1.11 0.00 0.07 3.04 -1.96 -2.35 116.25 116.15 1uri h VAL 42 Ca 0.00 -0.31 -0.37 0.00 -1.01 0.00 0.00 66.70 65.01 1uri h VAL 42 Cb 0.39 0.77 -0.07 0.00 -2.01 0.00 0.00 31.29 30.37 1uri h VAL 42 CO 0.00 0.12 -2.41 0.00 -1.01 0.00 0.00 177.57 174.27 1uri n ALA 43 N -2.49 1.47 -2.83 3.17 0.00 -0.87 -4.83 120.51 114.12 1uri n ALA 43 Ca 0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 1uri n ALA 43 Cb 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.55 1uri n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1uri n MET 44 N -3.22 1.07 -2.12 0.00 0.00 -0.48 -5.03 117.12 107.34 1uri n MET 44 Ca -0.44 -2.58 -0.34 0.00 -0.00 0.00 0.00 57.70 54.35 1uri n MET 44 Cb 0.97 -1.03 0.01 0.00 0.00 0.00 0.00 33.22 33.16 1uri n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1uri s GLY 45 N -1.97 2.31 0.01 -5.12 0.00 -0.89 -4.67 107.32 97.00 1uri s GLY 45 Ca 0.28 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.57 1uri s GLY 45 CO -0.05 0.90 -0.03 0.30 0.00 0.00 0.00 173.10 174.22 1uri s HIS 46 N -2.19 0.26 0.25 1.90 3.76 -0.74 -4.80 115.29 113.72 1uri s HIS 46 Ca 0.67 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.36 1uri s HIS 46 Cb -0.19 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.32 1uri s HIS 46 CO 0.33 -0.07 0.12 0.27 -0.85 0.00 0.00 174.74 174.53 1uri n ASN 47 N 2.37 0.70 -3.79 1.40 0.23 -1.26 -1.00 115.26 113.91 1uri n ASN 47 Ca -0.17 -2.39 -0.21 0.00 -0.53 0.00 0.00 54.58 51.28 1uri n ASN 47 Cb 0.57 0.77 -0.17 0.00 -2.08 0.00 0.00 39.78 38.87 1uri n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1uri s TRP 48 N -2.61 0.52 -0.07 -2.53 -0.00 -1.26 -4.40 118.94 108.58 1uri s TRP 48 Ca 0.16 -0.08 0.04 0.00 -0.00 0.00 0.00 56.10 56.22 1uri s TRP 48 Cb 0.01 -0.65 0.00 0.00 -0.00 0.00 0.00 33.47 32.83 1uri s TRP 48 CO 0.12 -0.24 -0.18 0.08 -0.00 0.00 0.00 176.95 176.72 1uri s VAL 49 N 1.63 1.60 -0.17 5.86 1.01 0.09 -1.51 120.40 128.91 1uri s VAL 49 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1uri s VAL 49 Cb -0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1uri s VAL 49 CO -0.03 0.46 -0.09 -0.22 0.00 0.00 0.00 175.10 175.21 1uri s LEU 50 N 0.35 2.81 0.27 3.92 2.96 -0.13 -1.42 118.68 127.43 1uri s LEU 50 Ca -0.13 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1uri s LEU 50 Cb -0.15 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1uri s LEU 50 CO 0.05 0.09 0.22 0.42 -1.32 0.00 0.00 176.35 175.81 1uri s THR 51 N 0.79 0.00 0.55 3.68 -4.23 -0.44 -0.99 115.64 115.00 1uri s THR 51 Ca -0.03 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.31 1uri s THR 51 Cb -0.15 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1uri s THR 51 CO 0.01 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.64 1uri s LYS 52 N -3.78 3.40 0.25 3.99 1.02 -1.26 -1.41 119.74 121.95 1uri s LYS 52 Ca 0.39 1.43 -0.03 0.00 0.02 0.00 0.00 55.97 57.78 1uri s LYS 52 Cb 0.04 -2.03 0.43 0.00 -0.52 0.00 0.00 37.83 35.75 1uri s LYS 52 CO 0.20 -0.77 1.82 1.49 -0.92 0.00 0.00 175.35 177.16 1uri h GLU 53 N 1.00 0.82 0.00 1.68 4.57 -1.89 -0.10 114.58 120.66 1uri h GLU 53 Ca -0.49 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1uri h GLU 53 Cb 1.24 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1uri h GLU 53 CO 0.57 0.54 -0.04 0.00 -1.18 0.00 0.00 179.01 178.90 1uri h ALA 54 N 1.47 1.28 -0.02 2.92 0.00 -1.95 -3.08 119.26 119.88 1uri h ALA 54 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uri h ALA 54 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uri h ALA 54 CO -0.25 0.05 -0.24 -0.25 0.00 0.00 0.00 179.25 178.56 1uri n ASP 55 N -3.54 1.91 0.01 0.00 8.00 -0.05 -4.62 116.55 118.25 1uri n ASP 55 Ca -0.02 -1.46 -0.15 0.00 0.71 0.00 0.00 54.79 53.86 1uri n ASP 55 Cb 0.15 0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1uri n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1uri h LYS 56 N 2.61 -0.58 -0.59 -1.24 3.64 -1.49 -1.33 116.57 117.59 1uri h LYS 56 Ca 0.00 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1uri h LYS 56 Cb 0.71 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1uri h LYS 56 CO 0.00 -0.39 0.21 0.37 -2.27 0.00 0.00 179.45 177.37 1uri h GLN 57 N -0.60 0.90 -0.36 1.90 4.15 -1.85 -0.41 115.11 118.85 1uri h GLN 57 Ca 0.03 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1uri h GLN 57 Cb 0.69 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1uri h GLN 57 CO -0.42 0.79 0.13 0.78 -1.93 0.00 0.00 178.83 178.18 1uri h GLY 58 N 0.83 0.59 1.04 2.39 0.00 -1.83 -0.06 103.07 106.03 1uri h GLY 58 Ca 0.19 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1uri h GLY 58 CO -0.01 0.32 0.42 -2.08 0.00 0.00 0.00 176.54 175.19 1uri h VAL 59 N 0.43 1.26 -0.58 4.60 2.07 -0.87 -0.83 116.25 122.34 1uri h VAL 59 Ca 0.12 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1uri h VAL 59 Cb 0.23 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1uri h VAL 59 CO -0.01 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.17 1uri h ALA 60 N 1.23 0.74 0.05 1.67 0.00 -0.63 0.38 119.26 122.70 1uri h ALA 60 Ca 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uri h ALA 60 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uri h ALA 60 CO -0.04 0.31 -0.02 1.15 0.00 0.00 0.00 179.25 180.65 1uri h THR 61 N 0.78 1.30 -0.15 0.00 2.02 -0.72 -1.37 112.91 114.76 1uri h THR 61 Ca 0.20 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 1uri h THR 61 Cb 0.13 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1uri h THR 61 CO -0.02 0.31 -0.05 0.44 0.37 0.00 0.00 175.52 176.57 1uri h ASP 62 N -0.64 0.21 -0.41 4.18 3.32 -1.17 -2.70 116.42 119.21 1uri h ASP 62 Ca -0.01 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1uri h ASP 62 Cb 0.56 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1uri h ASP 62 CO 0.01 0.30 0.16 1.23 -1.72 0.00 0.00 179.24 179.22 1uri h GLY 63 N 0.57 0.66 0.42 2.75 0.00 -0.85 -2.42 103.07 104.20 1uri h GLY 63 Ca 0.05 -0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.14 1uri h GLY 63 CO 0.01 0.34 0.58 1.98 0.00 0.00 0.00 176.54 179.44 1uri h MET 64 N 0.52 0.87 0.00 4.80 1.85 -0.92 -0.38 114.93 121.66 1uri h MET 64 Ca 0.14 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 1uri h MET 64 Cb 0.19 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1uri h MET 64 CO -0.01 0.57 0.00 0.09 -0.40 0.00 0.00 176.91 177.16 1uri n ASN 65 N -4.69 0.22 0.13 1.39 3.02 -0.94 -3.29 115.26 111.10 1uri n ASN 65 Ca 0.18 0.54 0.03 0.00 -0.03 0.00 0.00 54.58 55.29 1uri n ASN 65 Cb 0.37 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1uri n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uri h ALA 66 N 2.63 0.68 0.00 5.41 0.00 -0.75 -3.50 119.26 123.73 1uri h ALA 66 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1uri h ALA 66 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1uri h ALA 66 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1uri n GLY 67 N 1.24 1.27 0.24 0.00 0.00 -1.21 -4.35 105.19 102.38 1uri n GLY 67 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 1uri n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uri h LEU 68 N 0.00 0.82 -2.09 0.99 5.85 -1.93 -1.85 115.31 117.09 1uri h LEU 68 Ca 0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1uri h LEU 68 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1uri h LEU 68 CO 0.00 1.03 -0.04 0.00 -0.34 0.00 0.00 178.44 179.09 1uri h ALA 69 N 0.82 1.73 -0.27 1.25 0.00 -2.02 -0.29 119.26 120.47 1uri h ALA 69 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uri h ALA 69 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uri h ALA 69 CO 0.05 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1uri n GLN 70 N -4.20 2.16 -2.22 0.00 1.13 -1.11 -4.92 117.38 108.23 1uri n GLN 70 Ca -0.03 -1.21 -0.15 0.00 -1.94 0.00 0.00 57.00 53.68 1uri n GLN 70 Cb 0.12 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 1uri n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1uri n ASP 71 N 0.33 -4.41 -4.06 1.08 8.00 -0.12 -2.85 116.55 114.52 1uri n ASP 71 Ca 0.11 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.48 1uri n ASP 71 Cb 0.45 -3.78 -0.01 0.00 -0.02 0.00 0.00 41.12 37.75 1uri n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1uri n TYR 72 N -3.25 -1.83 -3.84 1.24 4.01 -0.71 -4.58 117.16 108.20 1uri n TYR 72 Ca -0.17 0.80 -0.15 0.00 -0.16 0.00 0.00 57.90 58.23 1uri n TYR 72 Cb 0.61 -3.47 -0.15 0.00 -0.31 0.00 0.00 39.34 36.01 1uri n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uri s VAL 73 N -3.53 0.02 0.08 -0.72 1.01 -1.13 -4.21 120.40 111.92 1uri s VAL 73 Ca 0.45 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1uri s VAL 73 Cb -0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 1uri s VAL 73 CO 0.89 0.08 1.42 -0.75 0.00 0.00 0.00 175.10 176.74 1uri s LYS 74 N 0.74 4.30 0.16 2.72 2.20 -1.26 -4.87 119.74 123.72 1uri s LYS 74 Ca -0.06 2.08 -0.33 0.00 -0.36 0.00 0.00 55.97 57.29 1uri s LYS 74 Cb -0.09 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.73 1uri s LYS 74 CO -0.02 -0.51 1.64 0.00 -0.36 0.00 0.00 175.35 176.10 1uri n ALA 75 N 4.48 1.75 -1.27 3.13 0.00 -1.26 -1.81 120.51 125.52 1uri n ALA 75 Ca 0.12 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 1uri n ALA 75 Cb 0.42 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 1uri n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uri n GLY 76 N 3.63 1.07 3.64 0.00 0.00 -1.26 -4.94 105.19 107.33 1uri n GLY 76 Ca 0.17 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1uri n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uri s ASP 77 N -2.67 6.15 0.57 1.61 -1.08 -0.75 -4.86 116.67 115.63 1uri s ASP 77 Ca 0.00 2.17 0.34 0.00 -0.52 0.00 0.00 52.55 54.54 1uri s ASP 77 Cb 0.00 -2.52 1.64 0.00 -1.46 0.00 0.00 42.92 40.58 1uri s ASP 77 CO 0.00 -1.36 2.10 0.71 0.52 0.00 0.00 175.17 177.14 1uri h THR 78 N 6.20 0.22 0.00 1.71 1.35 -1.92 -2.62 112.91 117.85 1uri h THR 78 Ca -0.43 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1uri h THR 78 Cb 1.21 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1uri h THR 78 CO 0.96 0.05 0.00 0.54 -0.25 0.00 0.00 175.52 176.82 1uri n ARG 79 N -3.28 0.09 -3.12 4.72 1.74 -1.26 -4.68 116.66 110.86 1uri n ARG 79 Ca -0.01 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 1uri n ARG 79 Cb 0.23 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 1uri n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uri s VAL 80 N -3.06 4.86 0.10 1.55 1.01 -0.99 -4.41 120.40 119.46 1uri s VAL 80 Ca 0.10 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 1uri s VAL 80 Cb 0.14 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 1uri s VAL 80 CO 0.47 -0.47 1.38 0.40 0.00 0.00 0.00 175.10 176.87 1uri h ILE 81 N 5.79 1.29 -1.95 2.22 2.04 -1.34 -3.47 117.51 122.10 1uri h ILE 81 Ca -0.26 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 63.93 1uri h ILE 81 Cb 1.10 1.72 -0.20 0.00 -0.74 0.00 0.00 36.82 38.71 1uri h ILE 81 CO 0.86 0.54 0.35 0.00 0.00 0.00 0.00 178.15 179.90 1uri s ALA 82 N -4.10 -1.82 0.05 1.87 0.00 -1.22 -5.01 121.76 111.53 1uri s ALA 82 Ca -0.11 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 1uri s ALA 82 Cb 0.09 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1uri s ALA 82 CO 0.87 -0.41 0.43 -3.38 0.00 0.00 0.00 175.76 173.27 1uri s HIS 83 N -1.54 -0.29 0.48 0.00 -3.43 -1.26 -0.96 115.29 108.29 1uri s HIS 83 Ca -0.05 0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.46 1uri s HIS 83 Cb -0.00 0.25 0.09 0.00 -1.43 0.00 0.00 32.58 31.49 1uri s HIS 83 CO 0.03 -0.60 0.66 0.25 -2.00 0.00 0.00 174.74 173.08 1uri n THR 84 N 0.41 0.00 -2.05 -5.38 -2.24 -0.57 -4.84 114.28 99.60 1uri n THR 84 Ca -0.18 -1.12 -0.28 0.00 -2.27 0.00 0.00 64.05 60.19 1uri n THR 84 Cb 0.60 -0.97 0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1uri n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uri s LYS 85 N -4.16 2.44 -0.14 -0.78 1.02 -1.26 -4.66 119.74 112.20 1uri s LYS 85 Ca 0.45 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 1uri s LYS 85 Cb -0.03 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1uri s LYS 85 CO 0.29 -1.20 1.01 0.08 -0.92 0.00 0.00 175.35 174.62 1uri s VAL 86 N -3.34 4.76 0.16 3.17 1.01 -1.26 -4.39 120.40 120.51 1uri s VAL 86 Ca 0.59 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.70 1uri s VAL 86 Cb -0.11 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1uri s VAL 86 CO 0.48 -0.04 -0.14 0.27 0.00 0.00 0.00 175.10 175.67 1uri s ILE 87 N 2.30 2.99 0.51 2.22 -4.36 -0.17 -4.88 121.20 119.82 1uri s ILE 87 Ca 0.47 -1.66 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1uri s ILE 87 Cb -0.17 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.13 1uri s ILE 87 CO 0.15 -0.05 0.60 -0.83 0.24 0.00 0.00 174.94 175.05 1uri s GLY 88 N -2.62 1.97 0.41 6.27 0.00 -1.26 -1.80 107.32 110.29 1uri s GLY 88 Ca 0.22 -1.83 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 1uri s GLY 88 CO 0.13 -1.70 1.20 0.61 0.00 0.00 0.00 173.10 173.33 1uri n GLY 89 N -1.96 0.33 2.25 0.20 0.00 0.44 -2.14 105.19 104.30 1uri n GLY 89 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1uri n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uri n GLY 90 N 0.92 0.69 3.70 -0.02 0.00 -0.58 -4.88 105.19 105.01 1uri n GLY 90 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1uri n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uri s GLU 91 N -0.05 2.29 0.11 1.61 2.02 -0.91 -4.97 118.70 118.80 1uri s GLU 91 Ca 0.00 -1.60 0.01 0.00 0.02 0.00 0.00 54.97 53.40 1uri s GLU 91 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1uri s GLU 91 CO 0.00 0.12 -0.05 -1.54 0.02 0.00 0.00 175.26 173.81 1uri s SER 92 N -3.81 1.08 -0.04 -0.19 1.04 -1.26 -1.16 113.70 109.36 1uri s SER 92 Ca 0.37 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 55.61 1uri s SER 92 Cb -0.02 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1uri s SER 92 CO 0.22 -0.50 0.34 -0.62 0.98 0.00 0.00 173.24 173.66 1uri s ASP 93 N -3.05 -0.25 0.14 7.02 2.15 -0.62 -5.01 116.67 117.04 1uri s ASP 93 Ca 0.13 0.26 0.07 0.00 0.43 0.00 0.00 52.55 53.44 1uri s ASP 93 Cb 0.06 0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 43.05 1uri s ASP 93 CO -0.04 -0.38 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.98 1uri s SER 94 N -0.99 2.30 -0.01 -0.34 0.01 -1.26 -1.18 113.70 112.23 1uri s SER 94 Ca -0.10 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.35 1uri s SER 94 Cb -0.04 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.08 1uri s SER 94 CO 0.04 -0.08 -0.02 0.54 0.41 0.00 0.00 173.24 174.12 1uri s VAL 95 N -2.01 0.25 -0.06 3.43 0.11 -0.71 -4.93 120.40 116.48 1uri s VAL 95 Ca 0.11 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1uri s VAL 95 Cb -0.06 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1uri s VAL 95 CO 0.04 0.10 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.91 1uri s THR 96 N 0.29 3.25 0.15 5.04 2.01 -1.26 -1.14 115.64 123.97 1uri s THR 96 Ca -0.03 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1uri s THR 96 Cb -0.06 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1uri s THR 96 CO -0.01 0.59 0.11 0.72 -0.69 0.00 0.00 174.62 175.35 1uri s PHE 97 N -0.67 0.84 -0.08 4.92 -0.71 -0.36 -4.97 117.98 116.95 1uri s PHE 97 Ca 0.10 -1.19 -0.29 0.00 -1.04 0.00 0.00 56.93 54.51 1uri s PHE 97 Cb -0.11 -0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 41.26 1uri s PHE 97 CO 0.01 -0.58 0.98 -0.51 -1.34 0.00 0.00 175.22 173.78 1uri s ASP 98 N -3.06 7.25 0.56 1.98 1.01 -1.26 -1.25 116.67 121.91 1uri s ASP 98 Ca 0.26 1.53 0.35 0.00 0.71 0.00 0.00 52.55 55.40 1uri s ASP 98 Cb 0.07 -2.55 1.57 0.00 1.01 0.00 0.00 42.92 43.01 1uri s ASP 98 CO 0.04 -0.38 2.06 0.58 0.21 0.00 0.00 175.17 177.68 1uri h VAL 99 N 5.01 0.11 0.00 -1.27 2.07 -1.64 -2.12 116.25 118.41 1uri h VAL 99 Ca -0.34 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1uri h VAL 99 Cb 1.17 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1uri h VAL 99 CO 0.82 0.03 0.00 -1.54 0.02 0.00 0.00 177.57 176.90 1uri n SER 100 N -3.17 0.00 0.04 0.57 3.41 -1.26 -0.91 113.62 112.30 1uri n SER 100 Ca -0.00 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1uri n SER 100 Cb 0.26 -0.46 0.50 0.00 -0.26 0.00 0.00 64.21 64.25 1uri n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1uri n LYS 101 N -1.46 0.08 -4.43 4.33 5.02 -0.80 -4.82 118.16 116.09 1uri n LYS 101 Ca 0.02 0.14 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 1uri n LYS 101 Cb 0.07 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.37 1uri n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uri s LEU 102 N -3.53 3.16 -0.19 -0.35 1.43 -0.09 -5.11 118.68 114.00 1uri s LEU 102 Ca 0.11 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1uri s LEU 102 Cb 0.15 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1uri s LEU 102 CO 0.48 0.27 0.13 -0.89 0.23 0.00 0.00 176.35 176.57 1uri s THR 103 N -1.03 5.37 0.24 5.49 2.01 -1.26 -5.04 115.64 121.43 1uri s THR 103 Ca 0.18 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 1uri s THR 103 Cb -0.11 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.84 1uri s THR 103 CO 0.09 0.46 1.61 -2.65 -0.69 0.00 0.00 174.62 173.43 1uri n PRO 104 N 3.38 2.57 -0.20 4.92 -0.02 -1.26 -1.82 135.00 142.56 1uri n PRO 104 Ca -0.16 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1uri n PRO 104 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1uri n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uri n GLY 105 N 2.89 1.39 3.80 -1.23 0.00 -1.26 -5.03 105.19 105.74 1uri n GLY 105 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1uri n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uri s GLU 106 N -0.43 3.90 0.05 1.61 2.12 -0.76 -5.07 118.70 120.13 1uri s GLU 106 Ca 0.00 -0.04 -0.13 0.00 0.36 0.00 0.00 54.97 55.16 1uri s GLU 106 Cb 0.00 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 1uri s GLU 106 CO 0.00 0.51 0.44 0.00 -0.54 0.00 0.00 175.26 175.66 1uri s ALA 107 N -0.30 3.68 0.28 6.30 0.00 -1.26 -4.46 121.76 126.00 1uri s ALA 107 Ca 0.14 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.95 1uri s ALA 107 Cb -0.12 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1uri s ALA 107 CO 0.03 0.50 -0.13 0.71 0.00 0.00 0.00 175.76 176.87 1uri s TYR 108 N -1.25 2.11 -0.18 0.00 1.51 0.86 -4.47 117.35 115.93 1uri s TYR 108 Ca 0.29 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1uri s TYR 108 Cb -0.16 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1uri s TYR 108 CO 0.16 0.51 0.05 0.00 -1.11 0.00 0.00 175.55 175.16 1uri s ALA 109 N -2.75 3.37 0.01 3.71 0.00 -0.50 -0.61 121.76 124.99 1uri s ALA 109 Ca 0.29 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1uri s ALA 109 Cb -0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1uri s ALA 109 CO 0.13 0.17 -0.10 1.52 0.00 0.00 0.00 175.76 177.48 1uri s TYR 110 N 0.40 2.80 0.32 0.00 -0.85 -0.46 -1.33 117.35 118.23 1uri s TYR 110 Ca 0.03 -0.09 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 1uri s TYR 110 Cb -0.13 -1.57 0.03 0.00 0.38 0.00 0.00 41.96 40.67 1uri s TYR 110 CO 0.00 0.34 0.70 -0.59 -1.52 0.00 0.00 175.55 174.49 1uri s PHE 111 N -0.97 0.06 -0.23 -3.49 -0.71 -0.51 -0.42 117.98 111.71 1uri s PHE 111 Ca 0.16 -0.57 -0.08 0.00 -1.04 0.00 0.00 56.93 55.40 1uri s PHE 111 Cb -0.11 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1uri s PHE 111 CO 0.07 -1.33 0.08 0.00 -1.34 0.00 0.00 175.22 172.70 1uri n SER 113 N 4.46 2.48 -4.76 0.00 3.41 -1.26 -2.40 113.62 115.55 1uri n SER 113 Ca -0.16 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 1uri n SER 113 Cb 0.52 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1uri n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1uri n PHE 114 N 0.85 2.89 -1.47 7.33 -0.00 -1.26 -4.34 117.46 121.46 1uri n PHE 114 Ca 0.16 0.35 -0.57 0.00 -0.00 0.00 0.00 57.45 57.38 1uri n PHE 114 Cb 0.40 -2.56 -0.08 0.00 -0.00 0.00 0.00 39.48 37.24 1uri n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1uri n PRO 115 N 1.38 0.00 -0.20 -7.13 -0.02 -1.26 -1.02 135.00 126.74 1uri n PRO 115 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1uri n PRO 115 Cb 0.37 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1uri n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uri n GLY 116 N 3.08 2.05 0.05 -1.23 0.00 -1.26 -4.90 105.19 102.97 1uri n GLY 116 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1uri n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1uri n HIS 117 N -2.00 0.39 -0.34 1.61 8.25 -0.19 -4.64 115.22 118.30 1uri n HIS 117 Ca 0.00 0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1uri n HIS 117 Cb 0.00 -0.58 0.13 0.00 1.12 0.00 0.00 29.99 30.66 1uri n HIS 117 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1uri h TRP 118 N 0.00 1.21 0.00 4.41 5.08 -1.66 0.28 115.95 125.28 1uri h TRP 118 Ca 0.00 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.84 1uri h TRP 118 Cb 0.85 -0.40 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 1uri h TRP 118 CO 0.00 0.78 -0.69 0.00 -1.28 0.00 0.00 178.44 177.24 1uri h ALA 119 N 1.38 0.74 0.02 0.11 0.00 -1.88 -3.30 119.26 116.33 1uri h ALA 119 Ca 0.34 -0.63 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 1uri h ALA 119 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1uri h ALA 119 CO -0.07 0.87 -2.04 -0.12 0.00 0.00 0.00 179.25 177.89 1uri n MET 120 N -3.56 0.67 -3.52 0.00 0.00 -1.07 -4.76 117.12 104.89 1uri n MET 120 Ca -0.00 0.18 -0.42 0.00 0.00 0.00 0.00 57.70 57.46 1uri n MET 120 Cb 0.72 -1.67 -0.06 0.00 0.00 0.00 0.00 33.22 32.21 1uri n MET 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1uri s GLN 121 N -2.55 3.03 0.12 2.12 0.74 0.07 -4.90 119.66 118.29 1uri s GLN 121 Ca -0.12 -2.40 -0.14 0.00 0.05 0.00 0.00 55.36 52.75 1uri s GLN 121 Cb 0.07 -4.08 0.02 0.00 1.10 0.00 0.00 33.01 30.13 1uri s GLN 121 CO 0.80 -1.23 0.35 0.21 -0.55 0.00 0.00 175.29 174.86 1uri s LYS 122 N 0.23 1.04 0.34 1.67 2.36 -1.26 -1.72 119.74 122.40 1uri s LYS 122 Ca 0.16 -0.81 -0.17 0.00 -2.55 0.00 0.00 55.97 52.60 1uri s LYS 122 Cb -0.17 0.44 0.06 0.00 -1.05 0.00 0.00 37.83 37.11 1uri s LYS 122 CO -0.05 -0.39 0.86 0.20 1.55 0.00 0.00 175.35 177.52 1uri s GLY 123 N -2.83 0.34 -0.11 5.54 0.00 0.44 -4.84 107.32 105.84 1uri s GLY 123 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1uri s GLY 123 CO -0.10 0.47 -0.13 -1.59 0.00 0.00 0.00 173.10 171.74 1uri s THR 124 N -2.15 3.06 -0.06 0.90 2.01 -0.57 -1.35 115.64 117.48 1uri s THR 124 Ca 0.18 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1uri s THR 124 Cb -0.04 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1uri s THR 124 CO 0.10 0.54 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.13 1uri s LEU 125 N 0.13 2.00 0.18 4.42 0.20 0.22 -0.64 118.68 125.19 1uri s LEU 125 Ca -0.06 -0.46 -0.13 0.00 0.69 0.00 0.00 54.13 54.17 1uri s LEU 125 Cb -0.15 -1.22 0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1uri s LEU 125 CO 0.05 0.19 0.39 -1.59 -0.29 0.00 0.00 176.35 175.10 1uri s LYS 126 N 0.01 1.26 0.62 1.98 0.00 -0.72 -0.10 119.74 122.80 1uri s LYS 126 Ca -0.06 -1.04 -0.17 0.00 0.00 0.00 0.00 55.97 54.70 1uri s LYS 126 Cb -0.14 0.44 -0.02 0.00 0.00 0.00 0.00 37.83 38.12 1uri s LYS 126 CO 0.04 -0.50 1.12 -0.51 0.00 0.00 0.00 175.35 175.50 1uri s LEU 127 N -2.93 3.51 0.37 2.77 2.01 -1.26 -0.63 118.68 122.52 1uri s LEU 127 Ca 0.14 2.08 -0.28 0.00 0.01 0.00 0.00 54.13 56.08 1uri s LEU 127 Cb 0.01 -4.56 -0.11 0.00 0.01 0.00 0.00 46.19 41.54 1uri s LEU 127 CO -0.01 -1.53 1.45 -1.54 1.01 0.00 0.00 176.35 175.74 1uri n SER 128 N -2.05 3.60 0.00 2.29 3.41 0.63 -4.73 113.62 116.76 1uri n SER 128 Ca 0.11 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 1uri n SER 128 Cb 0.51 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1uri n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47