#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 -1.57 0.00 10.64 -1.26 -0.70 117.38 124.49 1uri n GLN 2 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1uri n GLN 2 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 1uri n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1uri s GLU 4 N -3.88 1.06 0.09 0.00 -1.05 0.13 -1.74 118.70 113.31 1uri s GLU 4 Ca 0.60 -0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 54.90 1uri s GLU 4 Cb 0.48 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.66 1uri s GLU 4 CO -0.13 -0.40 0.23 0.00 0.95 0.00 0.00 175.26 175.91 1uri s ALA 5 N -3.02 -0.38 -0.03 -0.84 0.00 -0.03 0.17 121.76 117.62 1uri s ALA 5 Ca -0.02 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1uri s ALA 5 Cb 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1uri s ALA 5 CO -0.06 -0.52 -0.20 0.99 0.00 0.00 0.00 175.76 175.97 1uri s THR 6 N -3.69 1.61 0.00 0.00 2.01 -1.26 -0.75 115.64 113.56 1uri s THR 6 Ca 0.03 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1uri s THR 6 Cb 0.04 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 1uri s THR 6 CO -0.10 0.46 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.69 1uri s ILE 7 N -0.21 0.65 -0.06 1.82 2.07 -0.47 -4.94 121.20 120.05 1uri s ILE 7 Ca 0.01 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 1uri s ILE 7 Cb -0.10 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1uri s ILE 7 CO 0.01 0.11 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.45 1uri s GLU 8 N -0.39 2.68 0.06 3.50 2.02 -1.26 -0.87 118.70 124.44 1uri s GLU 8 Ca 0.02 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 54.51 1uri s GLU 8 Cb -0.04 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 1uri s GLU 8 CO -0.00 0.65 -0.25 -1.54 0.02 0.00 0.00 175.26 174.14 1uri s SER 9 N -0.79 3.05 0.00 -0.19 1.04 0.14 -1.46 113.70 115.49 1uri s SER 9 Ca 0.12 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1uri s SER 9 Cb -0.11 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1uri s SER 9 CO 0.01 0.22 0.00 -0.46 0.98 0.00 0.00 173.24 173.99 1uri n ASN 10 N 1.62 0.92 0.00 7.02 0.23 -1.18 -0.59 115.26 123.28 1uri n ASN 10 Ca -0.17 -0.89 0.04 0.00 -0.53 0.00 0.00 54.58 53.03 1uri n ASN 10 Cb 0.52 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.47 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 -1.85 0.00 -0.91 0.53 8.00 -1.26 -3.32 116.55 117.74 1uri n ASP 11 Ca 0.00 -1.58 0.08 0.00 0.71 0.00 0.00 54.79 54.00 1uri n ASP 11 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 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 -0.64 2.31 -3.49 2.24 0.00 -1.26 -4.97 120.51 114.70 1uri n ALA 12 Ca 0.06 -1.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.05 1uri n ALA 12 Cb 0.03 -0.62 0.09 0.00 0.00 0.00 0.00 19.45 18.94 1uri n ALA 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1uri n MET 13 N 0.85 -7.04 -4.31 0.00 1.56 -1.21 -5.02 117.12 101.95 1uri n MET 13 Ca 0.17 0.84 -0.22 0.00 -0.27 0.00 0.00 57.70 58.21 1uri n MET 13 Cb 0.53 -5.87 -0.13 0.00 2.15 0.00 0.00 33.22 29.90 1uri n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1uri s GLN 14 N -5.67 1.07 -0.02 2.12 -0.21 -1.26 -4.20 119.66 111.49 1uri s GLN 14 Ca 0.19 -1.05 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 1uri s GLN 14 Cb -0.08 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.65 1uri s GLN 14 CO 0.73 0.29 0.10 0.71 -2.12 0.00 0.00 175.29 175.00 1uri s TYR 15 N -1.12 3.35 -1.20 0.91 2.02 -1.26 -3.07 117.35 116.98 1uri s TYR 15 Ca 0.04 0.26 0.23 0.00 -0.37 0.00 0.00 57.07 57.23 1uri s TYR 15 Cb -0.10 -1.77 1.06 0.00 -0.40 0.00 0.00 41.96 40.75 1uri s TYR 15 CO 0.03 0.58 1.74 0.27 -1.57 0.00 0.00 175.55 176.60 1uri n ASN 16 N 1.28 0.00 -4.11 2.29 2.04 -0.53 -4.72 115.26 111.51 1uri n ASN 16 Ca -0.14 0.25 -0.30 0.00 -0.44 0.00 0.00 54.58 53.95 1uri n ASN 16 Cb 0.53 -0.40 -0.17 0.00 -2.53 0.00 0.00 39.78 37.21 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 -2.80 1.89 0.02 -4.53 1.43 -1.26 -4.98 118.68 108.45 1uri s LEU 17 Ca 0.16 -0.50 0.23 0.00 -1.03 0.00 0.00 54.13 52.99 1uri s LEU 17 Cb 0.15 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 45.16 1uri s LEU 17 CO 0.38 0.05 1.03 0.29 0.23 0.00 0.00 176.35 178.33 1uri n LYS 18 N 4.07 0.18 -3.84 1.70 4.76 -1.26 -4.74 118.16 119.02 1uri n LYS 18 Ca -0.20 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1uri n LYS 18 Cb 0.52 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 32.04 1uri n LYS 18 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1uri s GLU 19 N -3.13 0.21 -0.00 1.97 2.02 -1.26 -1.07 118.70 117.44 1uri s GLU 19 Ca 0.05 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.13 1uri s GLU 19 Cb 0.15 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1uri s GLU 19 CO 0.81 -0.03 -0.13 -1.64 0.02 0.00 0.00 175.26 174.28 1uri s MET 20 N -0.24 1.03 -0.14 1.61 -1.94 -0.16 -4.94 119.30 114.53 1uri s MET 20 Ca -0.03 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1uri s MET 20 Cb -0.02 -1.01 0.01 0.00 2.01 0.00 0.00 34.83 35.82 1uri s MET 20 CO 0.00 0.27 -0.20 0.08 -0.01 0.00 0.00 175.02 175.16 1uri s VAL 21 N -0.39 1.95 -0.27 -6.03 1.01 -1.26 -2.15 120.40 113.26 1uri s VAL 21 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1uri s VAL 21 Cb -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1uri s VAL 21 CO -0.00 0.53 0.50 -0.69 0.00 0.00 0.00 175.10 175.44 1uri s VAL 22 N 0.95 5.07 0.35 2.92 1.01 -0.44 -4.95 120.40 125.31 1uri s VAL 22 Ca -0.04 0.80 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 1uri s VAL 22 Cb -0.15 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1uri s VAL 22 CO -0.04 0.06 1.23 -0.62 0.00 0.00 0.00 175.10 175.74 1uri s ASP 23 N 1.58 6.75 0.09 3.32 2.15 -1.26 -1.62 116.67 127.69 1uri s ASP 23 Ca 0.20 2.52 0.13 0.00 0.43 0.00 0.00 52.55 55.84 1uri s ASP 23 Cb -0.16 -2.64 0.58 0.00 -0.30 0.00 0.00 42.92 40.41 1uri s ASP 23 CO 0.10 -0.53 1.40 0.29 -0.17 0.00 0.00 175.17 176.26 1uri n LYS 24 N 0.62 0.05 0.00 4.34 5.02 0.36 -1.21 118.16 127.34 1uri n LYS 24 Ca 0.01 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 56.85 1uri n LYS 24 Cb 0.44 -1.63 0.64 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.73 0.36 -4.70 4.39 3.41 -1.26 -4.86 113.62 109.23 1uri n SER 25 Ca 0.02 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 1uri n SER 25 Cb 0.11 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 4.21 0.69 -4.38 0.00 3.00 -1.26 -4.72 118.16 115.69 1uri n LYS 27 Ca 0.05 0.27 -0.28 0.00 -0.00 0.00 0.00 58.31 58.35 1uri n LYS 27 Cb 0.50 -1.74 -0.13 0.00 0.00 0.00 0.00 35.03 33.67 1uri n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1uri s GLN 28 N -2.57 1.39 0.01 1.64 -0.21 -1.26 -0.94 119.66 117.71 1uri s GLN 28 Ca -0.13 -1.37 0.04 0.00 0.02 0.00 0.00 55.36 53.92 1uri s GLN 28 Cb 0.07 -1.82 -0.01 0.00 1.00 0.00 0.00 33.01 32.25 1uri s GLN 28 CO 0.80 0.42 -0.13 0.12 -2.12 0.00 0.00 175.29 174.38 1uri s PHE 29 N -1.22 1.16 -0.10 0.91 5.36 -0.51 -4.84 117.98 118.74 1uri s PHE 29 Ca 0.15 -0.27 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1uri s PHE 29 Cb -0.09 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.87 1uri s PHE 29 CO 0.07 0.00 -0.23 0.99 -1.46 0.00 0.00 175.22 174.59 1uri s THR 30 N -0.52 1.99 -0.13 0.12 2.01 -0.71 -0.86 115.64 117.54 1uri s THR 30 Ca 0.03 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 1uri s THR 30 Cb -0.06 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1uri s THR 30 CO 0.00 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1uri s VAL 31 N 0.40 3.34 -0.26 3.82 1.01 -0.39 -0.85 120.40 127.46 1uri s VAL 31 Ca -0.18 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1uri s VAL 31 Cb -0.18 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1uri s VAL 31 CO 0.08 0.52 0.03 -1.00 0.00 0.00 0.00 175.10 174.73 1uri s HIS 32 N 0.27 3.08 -0.13 5.22 3.76 0.07 -1.64 115.29 125.92 1uri s HIS 32 Ca -0.07 -0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 53.74 1uri s HIS 32 Cb -0.15 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1uri s HIS 32 CO 0.05 -0.55 0.43 -1.17 -0.85 0.00 0.00 174.74 172.65 1uri s LEU 33 N 1.50 4.26 -0.09 0.89 2.96 0.54 -1.37 118.68 127.37 1uri s LEU 33 Ca 0.04 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1uri s LEU 33 Cb -0.16 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1uri s LEU 33 CO 0.00 0.02 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.32 1uri s LYS 34 N 0.60 2.93 -0.44 1.98 1.02 -0.05 -0.90 119.74 124.88 1uri s LYS 34 Ca 0.23 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.28 1uri s LYS 34 Cb -0.14 -2.37 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 1uri s LYS 34 CO 0.08 0.31 0.33 -1.58 -0.92 0.00 0.00 175.35 173.57 1uri s HIS 35 N 0.06 3.26 -2.28 3.18 5.65 -0.23 -0.68 115.29 124.24 1uri s HIS 35 Ca -0.08 -0.98 0.20 0.00 0.25 0.00 0.00 55.06 54.45 1uri s HIS 35 Cb -0.15 -2.94 0.56 0.00 -1.18 0.00 0.00 32.58 28.86 1uri s HIS 35 CO 0.05 -0.75 1.45 1.33 -0.65 0.00 0.00 174.74 176.17 1uri n VAL 36 N 5.12 0.43 -1.91 0.89 0.24 0.24 -1.53 118.33 121.81 1uri n VAL 36 Ca -0.12 -0.57 -0.16 0.00 -2.04 0.00 0.00 64.34 61.45 1uri n VAL 36 Cb 0.44 0.58 0.10 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.31 -0.57 0.26 7.63 0.00 -1.25 -4.81 105.19 107.75 1uri n GLY 37 Ca 0.17 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.48 0.13 -2.59 1.61 2.85 -1.26 -1.91 118.16 114.51 1uri n LYS 38 Ca 0.10 -0.95 -0.33 0.00 -1.05 0.00 0.00 58.31 56.08 1uri n LYS 38 Cb 0.35 -1.12 -0.05 0.00 -0.65 0.00 0.00 35.03 33.56 1uri n LYS 38 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1uri s MET 39 N -0.56 4.03 0.68 -1.58 1.75 -1.26 -4.70 119.30 117.66 1uri s MET 39 Ca 0.08 1.09 -0.15 0.00 -1.25 0.00 0.00 55.69 55.46 1uri s MET 39 Cb 0.05 -2.15 0.01 0.00 2.84 0.00 0.00 34.83 35.58 1uri s MET 39 CO 0.08 -0.20 1.11 0.00 -0.65 0.00 0.00 175.02 175.36 1uri s ALA 40 N -2.34 2.42 0.25 4.11 0.00 -1.26 -0.92 121.76 124.01 1uri s ALA 40 Ca 0.61 0.54 0.25 0.00 0.00 0.00 0.00 51.96 53.37 1uri s ALA 40 Cb -0.10 -3.32 1.12 0.00 0.00 0.00 0.00 23.12 20.81 1uri s ALA 40 CO 0.22 -1.37 1.92 1.57 0.00 0.00 0.00 175.76 178.09 1uri h LYS 41 N -0.11 0.00 0.00 0.00 2.10 -1.85 0.14 116.57 116.84 1uri h LYS 41 Ca -0.46 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.08 1uri h LYS 41 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1uri h LYS 41 CO 0.53 0.20 -0.49 0.28 -2.00 0.00 0.00 179.45 177.97 1uri h VAL 42 N 0.00 1.04 0.06 0.07 2.07 -1.95 -2.35 116.25 115.18 1uri h VAL 42 Ca -0.00 -1.91 -0.26 0.00 0.82 0.00 0.00 66.70 65.35 1uri h VAL 42 Cb 0.59 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1uri h VAL 42 CO 0.03 0.48 -1.38 0.00 0.02 0.00 0.00 177.57 176.72 1uri h ALA 43 N 1.51 0.26 -0.49 1.67 0.00 -1.59 -3.44 119.26 117.19 1uri h ALA 43 Ca -0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 54.91 53.44 1uri h ALA 43 Cb 1.09 0.62 -0.27 0.00 0.00 0.00 0.00 17.79 19.24 1uri h ALA 43 CO 0.06 0.82 -0.75 -0.12 0.00 0.00 0.00 179.25 179.26 1uri n MET 44 N -4.11 1.17 -1.59 0.00 0.00 0.36 -5.00 117.12 107.95 1uri n MET 44 Ca -0.29 -2.50 -0.32 0.00 -0.00 0.00 0.00 57.70 54.59 1uri n MET 44 Cb 0.81 -0.63 0.06 0.00 0.00 0.00 0.00 33.22 33.46 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 -2.09 2.00 0.03 -5.12 0.00 -0.88 -4.75 107.32 96.50 1uri s GLY 45 Ca 0.25 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.36 1uri s GLY 45 CO -0.03 0.81 0.11 0.30 0.00 0.00 0.00 173.10 174.29 1uri s HIS 46 N -2.52 0.15 0.14 1.90 3.76 -0.85 -4.80 115.29 113.06 1uri s HIS 46 Ca 0.65 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 1uri s HIS 46 Cb -0.19 -0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 1uri s HIS 46 CO 0.46 -0.35 0.10 0.27 -0.85 0.00 0.00 174.74 174.37 1uri n ASN 47 N 0.96 0.09 -3.85 1.40 0.23 -1.26 -1.57 115.26 111.27 1uri n ASN 47 Ca -0.20 -1.87 -0.20 0.00 -0.53 0.00 0.00 54.58 51.78 1uri n ASN 47 Cb 0.58 0.59 -0.17 0.00 -2.08 0.00 0.00 39.78 38.70 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 -2.43 0.67 -0.01 -2.53 -0.00 -1.26 -4.35 118.94 109.03 1uri s TRP 48 Ca 0.14 -0.17 0.04 0.00 -0.00 0.00 0.00 56.10 56.11 1uri s TRP 48 Cb 0.01 -0.67 -0.01 0.00 -0.00 0.00 0.00 33.47 32.80 1uri s TRP 48 CO 0.10 -0.22 -0.15 0.08 -0.00 0.00 0.00 176.95 176.76 1uri s VAL 49 N 1.22 1.17 -0.11 5.86 1.01 0.53 -1.17 120.40 128.91 1uri s VAL 49 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1uri s VAL 49 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1uri s VAL 49 CO -0.02 0.33 -0.18 -0.22 0.00 0.00 0.00 175.10 175.02 1uri s LEU 50 N -0.28 1.88 0.15 3.92 2.96 -0.47 -1.18 118.68 125.65 1uri s LEU 50 Ca 0.04 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1uri s LEU 50 Cb -0.06 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1uri s LEU 50 CO -0.00 0.06 0.07 0.42 -1.32 0.00 0.00 176.35 175.57 1uri s THR 51 N 0.78 0.16 0.51 3.68 -4.23 -0.69 -0.48 115.64 115.36 1uri s THR 51 Ca -0.10 -1.94 -0.22 0.00 -1.18 0.00 0.00 61.69 58.25 1uri s THR 51 Cb -0.16 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 1uri s THR 51 CO 0.01 -0.37 1.23 -0.54 -0.54 0.00 0.00 174.62 174.41 1uri s LYS 52 N -4.05 3.46 0.55 3.99 1.02 -1.26 -1.40 119.74 122.03 1uri s LYS 52 Ca 0.27 1.92 0.24 0.00 0.02 0.00 0.00 55.97 58.42 1uri s LYS 52 Cb 0.07 -2.29 1.44 0.00 -0.52 0.00 0.00 37.83 36.54 1uri s LYS 52 CO 0.04 -0.84 2.07 1.49 -0.92 0.00 0.00 175.35 177.19 1uri h GLU 53 N 1.69 0.00 -0.57 1.68 4.81 -1.88 -1.74 114.58 118.57 1uri h GLU 53 Ca -0.50 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1uri h GLU 53 Cb 1.27 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1uri h GLU 53 CO 0.59 0.00 0.30 0.00 -0.73 0.00 0.00 179.01 179.16 1uri h ALA 54 N 1.81 0.74 -0.22 2.92 0.00 -1.90 -3.03 119.26 119.58 1uri h ALA 54 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uri h ALA 54 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uri h ALA 54 CO -0.00 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 1uri n ASP 55 N -4.85 1.61 -0.13 0.00 8.00 -0.66 -4.52 116.55 116.00 1uri n ASP 55 Ca 0.06 -1.81 -0.07 0.00 0.71 0.00 0.00 54.79 53.68 1uri n ASP 55 Cb 0.15 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.97 0.44 -0.10 -1.24 3.64 -1.57 -1.13 116.57 118.58 1uri h LYS 56 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1uri h LYS 56 Cb 0.44 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1uri h LYS 56 CO 0.00 0.29 -0.64 0.37 -2.27 0.00 0.00 179.45 177.20 1uri h GLN 57 N 0.45 0.37 -0.06 1.90 4.15 -1.85 -0.96 115.11 119.12 1uri h GLN 57 Ca 0.16 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1uri h GLN 57 Cb 0.03 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1uri h GLN 57 CO -0.09 0.89 0.02 0.78 -1.93 0.00 0.00 178.83 178.50 1uri h GLY 58 N 1.32 0.09 0.93 2.39 0.00 -1.81 -0.52 103.07 105.47 1uri h GLY 58 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1uri h GLY 58 CO 0.11 0.05 0.02 -2.08 0.00 0.00 0.00 176.54 174.64 1uri h VAL 59 N -0.10 1.25 -0.82 4.60 2.07 -1.20 -1.63 116.25 120.42 1uri h VAL 59 Ca 0.02 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1uri h VAL 59 Cb 0.21 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1uri h VAL 59 CO -0.00 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.41 1uri h ALA 60 N 0.89 1.04 0.26 1.67 0.00 -1.04 0.11 119.26 122.19 1uri h ALA 60 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uri h ALA 60 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1uri h ALA 60 CO 0.01 0.49 -0.12 1.15 0.00 0.00 0.00 179.25 180.78 1uri h THR 61 N 1.12 0.78 -0.55 0.00 2.02 -0.96 -0.29 112.91 115.01 1uri h THR 61 Ca 0.29 -0.65 0.05 0.00 0.77 0.00 0.00 66.41 66.87 1uri h THR 61 Cb -0.06 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1uri h THR 61 CO -0.06 0.13 0.37 0.44 0.37 0.00 0.00 175.52 176.77 1uri h ASP 62 N -0.71 0.50 -0.23 4.18 5.19 -1.30 -1.70 116.42 122.35 1uri h ASP 62 Ca -0.04 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 1uri h ASP 62 Cb 0.48 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1uri h ASP 62 CO 0.06 0.33 -0.20 1.23 -3.12 0.00 0.00 179.24 177.54 1uri h GLY 63 N 0.57 0.59 1.16 2.75 0.00 -0.66 -1.77 103.07 105.71 1uri h GLY 63 Ca 0.23 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1uri h GLY 63 CO -0.06 0.53 0.51 1.98 0.00 0.00 0.00 176.54 179.50 1uri h MET 64 N 0.24 0.95 0.00 4.80 1.85 -0.52 -0.53 114.93 121.72 1uri h MET 64 Ca 0.04 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1uri h MET 64 Cb 0.75 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1uri h MET 64 CO 0.05 0.63 0.00 0.09 -0.40 0.00 0.00 176.91 177.28 1uri n ASN 65 N -4.44 0.00 0.02 1.39 3.02 -0.69 -3.45 115.26 111.11 1uri n ASN 65 Ca 0.09 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.25 1uri n ASN 65 Cb 0.09 -0.49 0.34 0.00 -0.61 0.00 0.00 39.78 39.11 1uri n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uri n ALA 66 N -1.49 2.99 0.00 5.41 0.00 -0.21 -5.07 120.51 122.14 1uri n ALA 66 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1uri n ALA 66 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1uri n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uri n GLY 67 N 1.45 -0.93 0.27 0.00 0.00 -1.22 -4.20 105.19 100.55 1uri n GLY 67 Ca 0.05 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 0.86 -1.81 0.99 5.85 -1.93 -0.96 115.31 118.31 1uri h LEU 68 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1uri h LEU 68 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1uri h LEU 68 CO 0.00 1.04 0.00 0.00 -0.34 0.00 0.00 178.44 179.14 1uri h ALA 69 N 1.02 1.00 -0.34 1.25 0.00 -2.02 0.16 119.26 120.34 1uri h ALA 69 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uri h ALA 69 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uri h ALA 69 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.35 1uri n GLN 70 N -2.48 3.25 -3.08 0.00 1.13 -1.06 -4.95 117.38 110.20 1uri n GLN 70 Ca -0.02 -2.80 -0.20 0.00 -1.94 0.00 0.00 57.00 52.05 1uri n GLN 70 Cb 0.06 -1.84 -0.00 0.00 0.11 0.00 0.00 30.24 28.57 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 -0.13 -3.94 -3.94 1.08 8.00 0.54 -1.67 116.55 116.49 1uri n ASP 71 Ca 0.21 -0.21 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1uri n ASP 71 Cb 0.88 -3.27 0.02 0.00 -0.02 0.00 0.00 41.12 38.73 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 -3.82 -2.25 -3.89 1.24 4.01 -0.39 -4.63 117.16 107.42 1uri n TYR 72 Ca -0.06 0.90 -0.19 0.00 -0.16 0.00 0.00 57.90 58.39 1uri n TYR 72 Cb 0.57 -3.90 -0.17 0.00 -0.31 0.00 0.00 39.34 35.53 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 -3.31 0.22 0.16 -0.72 1.01 -0.67 -4.05 120.40 113.03 1uri s VAL 73 Ca 0.66 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 1uri s VAL 73 Cb -0.33 -0.34 -0.11 0.00 0.00 0.00 0.00 36.38 35.60 1uri s VAL 73 CO 0.84 0.18 1.76 -0.75 0.00 0.00 0.00 175.10 177.13 1uri s LYS 74 N 1.31 4.14 0.25 2.72 2.20 -1.26 -4.81 119.74 124.29 1uri s LYS 74 Ca -0.06 2.57 -0.31 0.00 -0.36 0.00 0.00 55.97 57.81 1uri s LYS 74 Cb -0.13 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.70 1uri s LYS 74 CO -0.02 -0.78 1.46 0.00 -0.36 0.00 0.00 175.35 175.64 1uri n ALA 75 N 4.90 1.43 -2.20 3.13 0.00 -1.26 -1.60 120.51 124.90 1uri n ALA 75 Ca 0.17 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.81 1uri n ALA 75 Cb 0.37 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 2.23 0.05 3.64 0.00 0.00 -1.26 -4.90 105.19 104.95 1uri n GLY 76 Ca 0.11 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.25 6.54 0.50 1.61 -1.08 -0.63 -4.85 116.67 116.51 1uri s ASP 77 Ca 0.00 1.67 0.25 0.00 -0.52 0.00 0.00 52.55 53.95 1uri s ASP 77 Cb 0.00 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.26 1uri s ASP 77 CO 0.00 -1.11 2.04 0.71 0.52 0.00 0.00 175.17 177.33 1uri h THR 78 N 5.94 0.67 0.00 1.71 1.35 -1.90 -2.34 112.91 118.34 1uri h THR 78 Ca -0.33 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1uri h THR 78 Cb 1.14 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1uri h THR 78 CO 0.99 0.14 0.00 0.54 -0.25 0.00 0.00 175.52 176.95 1uri n ARG 79 N -3.74 0.10 -3.32 4.72 1.74 -1.26 -4.69 116.66 110.21 1uri n ARG 79 Ca -0.02 0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1uri n ARG 79 Cb 0.25 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 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 -3.09 5.10 0.12 1.55 1.01 -0.88 -4.42 120.40 119.79 1uri s VAL 80 Ca 0.09 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1uri s VAL 80 Cb 0.13 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 1uri s VAL 80 CO 0.44 -0.13 1.42 0.40 0.00 0.00 0.00 175.10 177.23 1uri h ILE 81 N 5.56 1.28 -2.37 2.22 2.04 -1.05 -3.48 117.51 121.71 1uri h ILE 81 Ca -0.29 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 63.97 1uri h ILE 81 Cb 1.14 1.58 -0.15 0.00 -0.74 0.00 0.00 36.82 38.64 1uri h ILE 81 CO 0.73 0.55 0.42 0.00 0.00 0.00 0.00 178.15 179.84 1uri s ALA 82 N -4.20 -1.78 -0.03 1.87 0.00 -1.23 -4.95 121.76 111.44 1uri s ALA 82 Ca -0.11 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 1uri s ALA 82 Cb 0.10 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.67 1uri s ALA 82 CO 0.88 -0.65 0.50 -3.38 0.00 0.00 0.00 175.76 173.11 1uri s HIS 83 N -2.97 -0.43 0.64 0.00 -3.43 -1.26 -1.37 115.29 106.48 1uri s HIS 83 Ca 0.02 0.71 -0.05 0.00 -0.80 0.00 0.00 55.06 54.95 1uri s HIS 83 Cb -0.01 0.26 0.14 0.00 -1.43 0.00 0.00 32.58 31.53 1uri s HIS 83 CO -0.08 -0.50 0.88 0.25 -2.00 0.00 0.00 174.74 173.29 1uri n THR 84 N 1.10 0.00 -1.67 -5.38 -2.24 -0.31 -4.87 114.28 100.92 1uri n THR 84 Ca -0.20 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.20 1uri n THR 84 Cb 0.56 -1.20 0.10 0.00 -2.10 0.00 0.00 70.33 67.69 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 -4.80 1.76 -0.08 -0.78 1.02 -1.26 -4.69 119.74 110.91 1uri s LYS 85 Ca 0.55 0.35 -0.23 0.00 0.02 0.00 0.00 55.97 56.66 1uri s LYS 85 Cb -0.02 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1uri s LYS 85 CO 0.37 -1.78 0.68 0.08 -0.92 0.00 0.00 175.35 173.78 1uri s VAL 86 N -3.33 5.05 0.21 3.17 1.01 -1.26 -4.37 120.40 120.88 1uri s VAL 86 Ca 0.62 1.39 0.09 0.00 0.00 0.00 0.00 61.98 64.09 1uri s VAL 86 Cb -0.13 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1uri s VAL 86 CO 0.52 0.24 -0.18 0.27 0.00 0.00 0.00 175.10 175.96 1uri s ILE 87 N 0.88 1.98 0.56 2.22 -4.36 -0.61 -4.91 121.20 116.96 1uri s ILE 87 Ca 0.36 -2.13 0.06 0.00 -0.26 0.00 0.00 60.65 58.69 1uri s ILE 87 Cb -0.17 -2.03 0.06 0.00 1.25 0.00 0.00 42.46 41.57 1uri s ILE 87 CO 0.17 -0.41 0.53 0.61 0.24 0.00 0.00 174.94 176.08 1uri n GLY 88 N -0.12 2.50 3.65 6.27 0.00 -1.26 -2.02 105.19 114.21 1uri n GLY 88 Ca -0.10 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 1uri n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uri n GLY 89 N -1.74 0.20 2.61 -0.02 0.00 -0.10 -2.38 105.19 103.76 1uri n GLY 89 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.97 0.66 3.83 -0.02 0.00 -0.58 -4.88 105.19 105.16 1uri n GLY 90 Ca 0.07 0.00 -0.23 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 -0.18 2.36 0.07 1.61 2.02 -1.00 -4.97 118.70 118.62 1uri s GLU 91 Ca 0.00 -1.75 -0.07 0.00 0.02 0.00 0.00 54.97 53.17 1uri s GLU 91 Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 1uri s GLU 91 CO 0.00 -0.25 0.13 -1.54 0.02 0.00 0.00 175.26 173.62 1uri s SER 92 N -4.08 0.20 0.02 -0.19 1.04 -1.26 -1.07 113.70 108.36 1uri s SER 92 Ca 0.42 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 56.04 1uri s SER 92 Cb -0.00 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1uri s SER 92 CO 0.24 -0.66 0.26 -0.62 0.98 0.00 0.00 173.24 173.44 1uri s ASP 93 N -2.73 -0.09 0.14 7.02 2.15 -0.08 -5.00 116.67 118.08 1uri s ASP 93 Ca 0.04 -0.13 0.08 0.00 0.43 0.00 0.00 52.55 52.97 1uri s ASP 93 Cb 0.04 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.93 1uri s ASP 93 CO -0.10 -0.50 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.77 1uri s SER 94 N -1.70 2.60 -0.02 -0.34 0.01 -1.26 -0.34 113.70 112.65 1uri s SER 94 Ca -0.10 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 1uri s SER 94 Cb -0.03 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1uri s SER 94 CO 0.00 -0.01 0.06 0.54 0.41 0.00 0.00 173.24 174.25 1uri s VAL 95 N -1.74 0.00 -0.06 3.43 0.11 -0.65 -4.91 120.40 116.59 1uri s VAL 95 Ca 0.12 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1uri s VAL 95 Cb -0.07 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1uri s VAL 95 CO 0.06 -0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.80 1uri s THR 96 N 0.02 3.12 0.10 5.04 2.01 -1.26 -1.27 115.64 123.41 1uri s THR 96 Ca -0.00 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1uri s THR 96 Cb -0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1uri s THR 96 CO 0.00 0.59 0.04 0.72 -0.69 0.00 0.00 174.62 175.28 1uri s PHE 97 N -0.66 0.65 -0.20 4.92 -0.71 -0.04 -4.95 117.98 116.99 1uri s PHE 97 Ca 0.10 -1.10 -0.29 0.00 -1.04 0.00 0.00 56.93 54.60 1uri s PHE 97 Cb -0.11 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 1uri s PHE 97 CO 0.01 -0.48 1.06 0.34 -1.34 0.00 0.00 175.22 174.82 1uri s ASP 98 N -2.98 7.11 0.55 1.98 -1.08 -1.26 -1.43 116.67 119.56 1uri s ASP 98 Ca 0.16 1.45 0.36 0.00 -0.52 0.00 0.00 52.55 53.99 1uri s ASP 98 Cb 0.07 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.62 1uri s ASP 98 CO -0.04 -0.64 2.06 0.58 0.52 0.00 0.00 175.17 177.65 1uri h VAL 99 N 5.39 0.00 0.00 1.11 2.07 -1.33 -2.43 116.25 121.06 1uri h VAL 99 Ca -0.22 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1uri h VAL 99 Cb 1.08 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1uri h VAL 99 CO 0.96 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.01 1uri n SER 100 N -3.00 0.00 0.14 0.57 3.41 -1.26 -1.04 113.62 112.44 1uri n SER 100 Ca -0.00 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1uri n SER 100 Cb 0.23 -0.43 0.46 0.00 -0.26 0.00 0.00 64.21 64.21 1uri n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1uri h LYS 101 N 0.00 0.00 -6.06 4.33 1.57 -1.83 -3.44 116.57 111.13 1uri h LYS 101 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1uri h LYS 101 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1uri h LYS 101 CO 0.00 0.00 -0.49 -0.51 -0.57 0.00 0.00 179.45 177.88 1uri s LEU 102 N -4.69 4.22 -0.06 2.94 1.43 -0.20 -5.12 118.68 117.21 1uri s LEU 102 Ca 0.06 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1uri s LEU 102 Cb 0.10 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1uri s LEU 102 CO 0.49 0.08 -0.13 -0.89 0.23 0.00 0.00 176.35 176.13 1uri s THR 103 N -1.69 3.16 0.56 5.49 2.01 -1.26 -5.05 115.64 118.87 1uri s THR 103 Ca 0.34 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1uri s THR 103 Cb -0.11 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1uri s THR 103 CO 0.27 0.58 1.20 -0.81 -0.69 0.00 0.00 174.62 175.18 1uri n PRO 104 N 2.43 1.36 0.00 4.92 -0.04 -1.26 -3.20 135.00 139.20 1uri n PRO 104 Ca -0.17 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1uri n PRO 104 Cb 0.52 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1uri n PRO 104 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uri n GLY 105 N 0.97 2.08 3.73 0.55 0.00 -1.26 -4.96 105.19 106.30 1uri n GLY 105 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1uri n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uri n GLU 106 N 0.00 2.69 -3.91 1.61 0.00 -1.20 -4.97 120.64 114.86 1uri n GLU 106 Ca 0.00 0.96 -0.37 0.00 0.00 0.00 0.00 57.16 57.75 1uri n GLU 106 Cb 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 31.44 28.61 1uri n GLU 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1uri s ALA 107 N 0.50 3.83 0.21 4.31 0.00 -1.26 -4.54 121.76 124.81 1uri s ALA 107 Ca 0.69 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 52.10 1uri s ALA 107 Cb -0.51 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1uri s ALA 107 CO 0.42 0.60 -0.17 0.71 0.00 0.00 0.00 175.76 177.32 1uri s TYR 108 N -0.97 2.44 -0.08 0.00 2.02 -0.49 -3.78 117.35 116.48 1uri s TYR 108 Ca 0.15 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1uri s TYR 108 Cb -0.12 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1uri s TYR 108 CO 0.04 0.55 -0.11 0.00 -1.57 0.00 0.00 175.55 174.47 1uri s ALA 109 N -1.89 2.79 0.02 3.71 0.00 -0.50 -1.08 121.76 124.81 1uri s ALA 109 Ca 0.25 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1uri s ALA 109 Cb -0.08 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1uri s ALA 109 CO 0.13 0.46 -0.23 1.52 0.00 0.00 0.00 175.76 177.64 1uri s TYR 110 N -0.40 2.01 0.32 0.00 -0.85 -0.72 -1.71 117.35 116.01 1uri s TYR 110 Ca 0.05 -0.38 -0.17 0.00 -0.52 0.00 0.00 57.07 56.05 1uri s TYR 110 Cb -0.12 -1.24 0.03 0.00 0.38 0.00 0.00 41.96 41.01 1uri s TYR 110 CO 0.02 0.04 0.71 -0.59 -1.52 0.00 0.00 175.55 174.22 1uri s PHE 111 N -0.68 0.07 -0.23 -3.49 -0.71 -0.33 -1.44 117.98 111.18 1uri s PHE 111 Ca 0.09 -0.59 -0.07 0.00 -1.04 0.00 0.00 56.93 55.31 1uri s PHE 111 Cb -0.09 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1uri s PHE 111 CO 0.01 -1.35 0.06 0.00 -1.34 0.00 0.00 175.22 172.60 1uri n SER 113 N 4.50 2.59 -4.72 0.00 3.41 -1.26 -1.88 113.62 116.28 1uri n SER 113 Ca -0.16 -1.87 -0.43 0.00 -0.26 0.00 0.00 58.87 56.15 1uri n SER 113 Cb 0.52 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.93 2.50 -1.58 7.33 -0.00 -1.26 -4.29 117.46 121.09 1uri n PHE 114 Ca 0.18 0.45 -0.61 0.00 -0.00 0.00 0.00 57.45 57.46 1uri n PHE 114 Cb 0.47 -2.48 -0.09 0.00 -0.00 0.00 0.00 39.48 37.38 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 1.16 0.00 -0.88 -7.13 -0.02 -1.26 -1.07 135.00 125.80 1uri n PRO 115 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1uri n PRO 115 Cb 0.36 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 3.23 1.08 0.10 -1.23 0.00 -1.26 -4.90 105.19 102.20 1uri n GLY 116 Ca 0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 0.84 -0.31 1.61 8.25 -0.23 -4.53 115.22 118.85 1uri n HIS 117 Ca 0.00 0.25 0.06 0.00 -0.26 0.00 0.00 57.72 57.77 1uri n HIS 117 Cb 0.00 -0.91 0.26 0.00 1.12 0.00 0.00 29.99 30.46 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 1.03 -0.82 4.41 5.08 -1.57 -1.41 115.95 122.67 1uri h TRP 118 Ca -0.02 0.03 0.04 0.00 1.08 0.00 0.00 58.89 60.02 1uri h TRP 118 Cb 1.06 -0.33 -0.05 0.00 -3.00 0.00 0.00 29.16 26.84 1uri h TRP 118 CO 0.00 0.49 0.54 0.00 -1.28 0.00 0.00 178.44 178.19 1uri h ALA 119 N 1.53 1.51 0.00 0.11 0.00 -1.86 -3.29 119.26 117.25 1uri h ALA 119 Ca 0.42 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 1uri h ALA 119 Cb 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1uri h ALA 119 CO -0.17 0.41 -2.16 -1.33 0.00 0.00 0.00 179.25 176.00 1uri n MET 120 N -4.45 0.86 -3.25 0.00 2.81 -0.90 -4.83 117.12 107.36 1uri n MET 120 Ca 0.11 0.07 -0.46 0.00 -1.81 0.00 0.00 57.70 55.61 1uri n MET 120 Cb 0.12 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 1uri n MET 120 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1uri s GLN 121 N -2.41 3.22 0.11 0.03 0.74 -0.58 -4.91 119.66 115.87 1uri s GLN 121 Ca -0.20 -1.86 -0.19 0.00 0.05 0.00 0.00 55.36 53.17 1uri s GLN 121 Cb 0.06 -4.37 0.04 0.00 1.10 0.00 0.00 33.01 29.85 1uri s GLN 121 CO 0.56 -1.39 0.46 0.21 -0.55 0.00 0.00 175.29 174.58 1uri s LYS 122 N 1.46 1.09 0.34 1.67 2.36 -1.26 -2.84 119.74 122.56 1uri s LYS 122 Ca 0.11 -0.55 -0.17 0.00 -2.55 0.00 0.00 55.97 52.80 1uri s LYS 122 Cb -0.21 0.49 0.05 0.00 -1.05 0.00 0.00 37.83 37.11 1uri s LYS 122 CO -0.01 -0.43 0.82 0.20 1.55 0.00 0.00 175.35 177.48 1uri s GLY 123 N -2.59 0.27 -0.00 5.54 0.00 -0.52 -4.80 107.32 105.22 1uri s GLY 123 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1uri s GLY 123 CO -0.10 0.09 -0.12 -1.59 0.00 0.00 0.00 173.10 171.39 1uri s THR 124 N -2.49 3.26 -0.07 0.90 2.01 -0.23 -1.75 115.64 117.27 1uri s THR 124 Ca 0.16 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1uri s THR 124 Cb -0.05 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1uri s THR 124 CO 0.10 0.44 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.04 1uri s LEU 125 N -1.21 1.98 0.07 4.42 0.20 -0.25 -0.98 118.68 122.91 1uri s LEU 125 Ca 0.15 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1uri s LEU 125 Cb -0.11 -1.20 -0.03 0.00 -0.43 0.00 0.00 46.19 44.42 1uri s LEU 125 CO 0.05 0.17 -0.07 -1.59 -0.29 0.00 0.00 176.35 174.62 1uri s LYS 126 N 0.15 0.67 -0.19 1.98 -2.85 -0.91 -1.39 119.74 117.20 1uri s LYS 126 Ca -0.10 -1.05 -0.09 0.00 -1.00 0.00 0.00 55.97 53.73 1uri s LYS 126 Cb -0.15 -0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 35.37 1uri s LYS 126 CO 0.05 0.01 0.11 -1.17 0.10 0.00 0.00 175.35 174.45 1uri s LEU 127 N -2.33 4.13 0.21 2.77 2.96 -1.26 -1.33 118.68 123.83 1uri s LEU 127 Ca 0.01 0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.98 1uri s LEU 127 Cb -0.02 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1uri s LEU 127 CO -0.03 0.19 0.49 -0.55 -1.32 0.00 0.00 176.35 175.14 1uri s SER 128 N 0.27 -0.18 0.00 3.68 0.15 -0.64 -4.38 113.70 112.60 1uri s SER 128 Ca 0.07 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1uri s SER 128 Cb -0.11 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1uri s SER 128 CO -0.01 -1.07 0.30 -0.46 1.20 0.00 0.00 173.24 173.20