#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy n GLU 2 N 0.00 1.87 -4.24 2.12 1.02 -1.26 -5.00 120.64 115.15 3phy n GLU 2 Ca 0.00 -3.19 -0.25 0.00 -0.02 0.00 0.00 57.16 53.70 3phy n GLU 2 Cb 0.00 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.49 3phy n GLU 2 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3phy s HIS 3 N -3.27 2.60 -0.19 -0.32 3.76 -1.26 -5.12 115.29 111.49 3phy s HIS 3 Ca 0.46 -0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 3phy s HIS 3 Cb 0.41 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 3phy s HIS 3 CO 0.00 0.34 -0.02 0.54 -0.85 0.00 0.00 174.74 174.76 3phy s VAL 4 N -2.55 3.84 0.00 -0.90 0.11 -1.26 -5.03 120.40 114.61 3phy s VAL 4 Ca 0.38 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3phy s VAL 4 Cb 0.02 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 3phy s VAL 4 CO 0.21 0.44 0.00 0.00 -3.33 0.00 0.00 175.10 172.42 3phy n ALA 5 N 4.17 0.00 -0.64 1.54 0.00 -1.26 -2.96 120.51 121.36 3phy n ALA 5 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3phy n ALA 5 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3phy n ALA 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3phy n PHE 6 N -0.34 0.00 -2.36 0.00 3.01 -1.26 -4.37 117.46 112.14 3phy n PHE 6 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 3phy n PHE 6 Cb 0.00 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.29 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3phy n GLY 7 N -0.90 0.87 3.10 1.37 0.00 -1.25 -5.12 105.19 103.26 3phy n GLY 7 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3phy n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3phy n SER 8 N 0.36 -2.85 -3.32 1.61 3.41 -1.16 -4.90 113.62 106.78 3phy n SER 8 Ca -0.02 -0.31 -0.34 0.00 -0.26 0.00 0.00 58.87 57.94 3phy n SER 8 Cb 1.03 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3phy n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3phy n GLU 9 N -1.81 4.28 -3.06 4.33 1.02 -1.26 -4.86 120.64 119.27 3phy n GLU 9 Ca 0.04 -4.76 -0.10 0.00 -0.02 0.00 0.00 57.16 52.32 3phy n GLU 9 Cb 0.47 -2.36 0.01 0.00 -0.02 0.00 0.00 31.44 29.54 3phy n GLU 9 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3phy n ASP 10 N -0.05 -7.41 -0.04 1.62 2.03 -1.26 -4.78 116.55 106.65 3phy n ASP 10 Ca 0.38 0.15 -0.05 0.00 0.52 0.00 0.00 54.79 55.79 3phy n ASP 10 Cb 0.33 -4.69 -0.04 0.00 -0.72 0.00 0.00 41.12 36.00 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3phy h ILE 11 N 1.32 0.54 -1.17 5.18 1.08 -1.93 -2.49 117.51 120.05 3phy h ILE 11 Ca -0.11 -1.36 0.34 0.00 -0.39 0.00 0.00 64.86 63.34 3phy h ILE 11 Cb 1.07 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 3phy h ILE 11 CO 0.25 0.18 1.11 1.05 -0.69 0.00 0.00 178.15 180.05 3phy h GLU 12 N -1.00 0.00 0.09 2.37 4.11 -1.97 0.87 114.58 119.05 3phy h GLU 12 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.07 3phy h GLU 12 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3phy h GLU 12 CO 0.01 0.00 -1.99 -1.71 0.07 0.00 0.00 179.01 175.39 3phy n ASN 13 N -3.58 1.87 0.08 3.06 2.85 -1.24 -3.36 115.26 114.95 3phy n ASN 13 Ca 0.26 0.22 0.11 0.00 -0.11 0.00 0.00 54.58 55.05 3phy n ASN 13 Cb 1.47 -0.67 0.43 0.00 1.24 0.00 0.00 39.78 42.25 3phy n ASN 13 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3phy n THR 14 N -3.38 0.82 0.00 -0.44 -1.04 0.26 -1.91 114.28 108.60 3phy n THR 14 Ca -0.30 0.18 0.08 0.00 -2.04 0.00 0.00 64.05 61.97 3phy n THR 14 Cb 1.05 -1.03 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 3phy n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3phy n LEU 15 N -1.98 0.21 -0.02 -4.42 4.77 0.95 -4.24 117.00 112.27 3phy n LEU 15 Ca 0.03 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 3phy n LEU 15 Cb 0.23 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 3phy n LEU 15 CO 0.19 0.04 -0.59 0.00 -1.33 0.00 0.00 177.39 175.70 3phy n ALA 16 N -2.32 1.40 -3.06 -1.18 0.00 -1.04 -4.40 120.51 109.92 3phy n ALA 16 Ca -0.07 -0.76 -0.34 0.00 0.00 0.00 0.00 53.44 52.27 3phy n ALA 16 Cb 0.66 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 3phy n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3phy n LYS 17 N -3.10 3.72 -0.57 0.00 5.02 -0.80 -4.99 118.16 117.44 3phy n LYS 17 Ca -0.20 -4.69 0.00 0.00 -2.02 0.00 0.00 58.31 51.40 3phy n LYS 17 Cb 1.05 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3phy n LYS 17 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3phy n MET 18 N 0.53 0.00 0.00 1.97 1.56 -1.26 -4.87 117.12 115.05 3phy n MET 18 Ca 0.32 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.75 3phy n MET 18 Cb 0.36 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.73 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3phy n ASP 19 N -0.61 0.13 0.00 6.12 8.00 -1.26 -5.07 116.55 123.86 3phy n ASP 19 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3phy n ASP 19 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3phy n ASP 20 N -2.62 0.00 -2.09 -2.24 -0.08 -1.26 -4.95 116.55 103.30 3phy n ASP 20 Ca -0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.04 3phy n ASP 20 Cb 0.01 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.59 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3phy n GLY 21 N 0.00 4.54 0.13 0.27 0.00 -1.26 -4.29 105.19 104.59 3phy n GLY 21 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 3phy n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3phy n GLN 22 N -0.76 0.55 0.00 1.61 6.02 -1.26 -4.39 117.38 119.14 3phy n GLN 22 Ca 0.51 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 3phy n GLN 22 Cb 1.19 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 31.02 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 3phy n LEU 23 N -3.25 0.90 0.00 1.08 -0.00 -1.26 -4.10 117.00 110.36 3phy n LEU 23 Ca -0.40 -0.45 0.05 0.00 -0.00 0.00 0.00 56.01 55.21 3phy n LEU 23 Cb 0.91 -0.45 0.22 0.00 -0.00 0.00 0.00 43.42 44.10 3phy n LEU 23 CO 0.20 0.22 0.62 -0.67 -0.00 0.00 0.00 177.39 177.76 3phy n ASP 24 N -0.01 0.00 -2.11 1.45 2.03 -1.26 -2.40 116.55 114.25 3phy n ASP 24 Ca 0.00 0.34 -0.25 0.00 0.52 0.00 0.00 54.79 55.40 3phy n ASP 24 Cb 0.22 -0.40 0.11 0.00 -0.72 0.00 0.00 41.12 40.33 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3phy n GLY 25 N -0.52 4.70 3.54 0.27 0.00 -1.26 -4.39 105.19 107.53 3phy n GLY 25 Ca 0.03 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3phy s LEU 26 N -2.97 3.45 0.00 0.99 1.43 -1.01 -4.96 118.68 115.62 3phy s LEU 26 Ca 0.51 -0.06 0.12 0.00 -1.03 0.00 0.00 54.13 53.67 3phy s LEU 26 Cb 0.41 -1.85 0.59 0.00 0.03 0.00 0.00 46.19 45.37 3phy s LEU 26 CO 0.04 0.16 1.34 0.00 0.23 0.00 0.00 176.35 178.12 3phy n ALA 27 N 3.60 1.67 -2.96 4.21 0.00 -1.26 -4.56 120.51 121.21 3phy n ALA 27 Ca -0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 3phy n ALA 27 Cb 0.52 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -2.72 1.22 0.15 0.00 -0.71 -1.26 -3.31 117.98 111.35 3phy s PHE 28 Ca 0.10 -0.32 -0.31 0.00 -1.04 0.00 0.00 56.93 55.36 3phy s PHE 28 Cb 0.08 -0.84 -0.08 0.00 -1.21 0.00 0.00 43.02 40.97 3phy s PHE 28 CO 0.20 -0.11 1.32 0.20 -1.34 0.00 0.00 175.22 175.49 3phy s GLY 29 N 0.10 2.28 -0.45 1.99 0.00 -0.93 -4.72 107.32 105.59 3phy s GLY 29 Ca -0.03 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.66 3phy s GLY 29 CO 0.01 2.16 0.33 0.00 0.00 0.00 0.00 173.10 175.60 3phy s ALA 30 N 0.57 3.39 -0.04 3.20 0.00 -1.10 -1.87 121.76 125.91 3phy s ALA 30 Ca 0.60 -2.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.23 3phy s ALA 30 Cb -0.36 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3phy s ALA 30 CO 0.34 -1.77 0.10 0.96 0.00 0.00 0.00 175.76 175.39 3phy s ILE 31 N 1.45 5.00 0.33 0.00 -5.25 -1.18 -3.44 121.20 118.12 3phy s ILE 31 Ca 0.04 -0.19 0.09 0.00 -0.99 0.00 0.00 60.65 59.61 3phy s ILE 31 Cb -0.25 -3.24 -0.06 0.00 2.95 0.00 0.00 42.46 41.86 3phy s ILE 31 CO 0.02 0.45 -0.02 -1.10 -1.79 0.00 0.00 174.94 172.49 3phy s GLN 32 N -1.48 2.01 -0.03 0.37 -0.21 -1.20 -1.23 119.66 117.90 3phy s GLN 32 Ca 0.20 -1.77 -0.13 0.00 0.02 0.00 0.00 55.36 53.69 3phy s GLN 32 Cb -0.12 -1.89 0.02 0.00 1.00 0.00 0.00 33.01 32.02 3phy s GLN 32 CO 0.11 0.16 0.27 -0.51 -2.12 0.00 0.00 175.29 173.20 3phy s LEU 33 N -3.68 1.00 -0.14 2.90 1.43 -0.40 -2.06 118.68 117.74 3phy s LEU 33 Ca 0.34 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3phy s LEU 33 Cb -0.00 1.11 0.02 0.00 0.03 0.00 0.00 46.19 47.34 3phy s LEU 33 CO 0.18 -0.38 -0.16 1.51 0.23 0.00 0.00 176.35 177.74 3phy s ASP 34 N -1.12 2.69 0.00 2.29 1.47 -0.37 -2.85 116.67 118.78 3phy s ASP 34 Ca -0.12 -0.49 0.00 0.00 1.18 0.00 0.00 52.55 53.12 3phy s ASP 34 Cb -0.05 -1.20 0.00 0.00 -0.34 0.00 0.00 42.92 41.33 3phy s ASP 34 CO 0.03 -0.02 0.00 0.61 0.68 0.00 0.00 175.17 176.48 3phy n GLY 35 N 4.51 0.02 0.00 2.12 0.00 -1.26 -1.34 105.19 109.24 3phy n GLY 35 Ca -0.18 0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3phy n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 36 N 0.06 0.00 0.00 1.61 8.00 -1.26 -4.80 116.55 120.16 3phy n ASP 36 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3phy n ASP 36 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 37 N 0.02 0.82 3.73 0.44 0.00 -0.45 -4.93 105.19 104.82 3phy n GLY 37 Ca 0.07 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3phy n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3phy s ASN 38 N -2.23 7.23 0.35 1.61 0.01 -1.18 -2.87 114.94 117.86 3phy s ASN 38 Ca 0.00 2.06 -0.29 0.00 -0.71 0.00 0.00 52.86 53.92 3phy s ASN 38 Cb 0.00 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.95 3phy s ASN 38 CO 0.00 -0.28 1.52 0.00 -1.51 0.00 0.00 177.10 176.83 3phy n ILE 39 N 2.75 1.70 -0.09 0.60 0.13 -1.17 -1.24 119.36 122.05 3phy n ILE 39 Ca 0.04 -0.43 -0.10 0.00 -1.10 0.00 0.00 62.75 61.17 3phy n ILE 39 Cb 0.46 -1.96 -0.11 0.00 -0.84 0.00 0.00 39.64 37.19 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3phy n LEU 40 N 0.98 1.09 0.00 9.51 4.77 -0.87 -4.21 117.00 128.27 3phy n LEU 40 Ca 0.04 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3phy n LEU 40 Cb 0.38 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3phy n LEU 40 CO 0.64 0.55 0.30 0.00 -1.33 0.00 0.00 177.39 177.55 3phy n GLN 41 N -2.76 0.69 0.05 3.23 -0.00 -1.26 -4.94 117.38 112.40 3phy n GLN 41 Ca -0.29 -1.57 0.00 0.00 -0.00 0.00 0.00 57.00 55.14 3phy n GLN 41 Cb 0.96 1.84 0.00 0.00 -0.00 0.00 0.00 30.24 33.04 3phy n GLN 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3phy n TYR 42 N -0.36 -2.97 0.00 2.61 9.36 -1.22 -3.21 117.16 121.36 3phy n TYR 42 Ca -0.04 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.55 3phy n TYR 42 Cb 0.39 1.31 0.00 0.00 -0.63 0.00 0.00 39.34 40.42 3phy n TYR 42 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3phy n ASN 43 N -2.70 0.00 0.02 2.98 6.94 -1.26 -2.72 115.26 118.52 3phy n ASN 43 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 3phy n ASN 43 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3phy n ALA 44 N 1.02 3.24 0.36 -2.53 0.00 -1.26 -4.09 120.51 117.24 3phy n ALA 44 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.85 3phy n ALA 44 Cb 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 3phy n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3phy h ALA 45 N 2.35 -1.22 0.29 0.00 0.00 -1.83 0.44 119.26 119.29 3phy h ALA 45 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3phy h ALA 45 Cb 0.83 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3phy h ALA 45 CO 0.00 -1.17 -0.16 1.05 0.00 0.00 0.00 179.25 178.97 3phy h GLU 46 N -0.99 -0.40 0.00 0.00 4.11 -1.86 -0.68 114.58 114.75 3phy h GLU 46 Ca -0.09 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3phy h GLU 46 Cb 0.79 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3phy h GLU 46 CO 0.10 -0.27 0.00 0.41 0.07 0.00 0.00 179.01 179.32 3phy n GLY 47 N -1.28 -0.81 0.13 1.06 0.00 -1.21 -1.79 105.19 101.29 3phy n GLY 47 Ca -0.10 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3phy n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3phy h ASP 48 N 0.00 0.62 0.14 1.61 5.19 0.15 0.39 116.42 124.51 3phy h ASP 48 Ca 0.00 -0.67 -0.28 0.00 -0.62 0.00 0.00 57.03 55.46 3phy h ASP 48 Cb 0.02 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.33 3phy h ASP 48 CO 0.00 1.53 -1.39 0.40 -3.12 0.00 0.00 179.24 176.66 3phy h ILE 49 N 0.11 1.09 0.00 0.35 5.03 -1.17 -3.38 117.51 119.54 3phy h ILE 49 Ca -0.20 -2.45 -0.24 0.00 -0.12 0.00 0.00 64.86 61.85 3phy h ILE 49 Cb 2.07 2.81 -0.04 0.00 -3.03 0.00 0.00 36.82 38.62 3phy h ILE 49 CO 0.24 0.74 -1.73 0.35 -0.68 0.00 0.00 178.15 177.07 3phy n THR 50 N -3.89 1.32 0.00 -0.27 -2.24 -0.78 -4.96 114.28 103.47 3phy n THR 50 Ca -0.23 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3phy n THR 50 Cb 0.93 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3phy n GLY 51 N 1.51 0.36 3.55 3.38 0.00 0.14 -5.01 105.19 109.12 3phy n GLY 51 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3phy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3phy s ARG 52 N -0.97 2.23 0.77 1.61 0.52 -1.18 -4.87 118.95 117.06 3phy s ARG 52 Ca 0.00 1.41 -0.11 0.00 -0.52 0.00 0.00 55.73 56.51 3phy s ARG 52 Cb 0.00 -4.55 0.05 0.00 0.52 0.00 0.00 34.95 30.97 3phy s ARG 52 CO 0.00 -3.14 1.08 -0.51 0.02 0.00 0.00 175.30 172.76 3phy s ASP 53 N 11.55 4.67 -0.12 0.23 1.11 -1.26 -3.67 116.67 129.18 3phy s ASP 53 Ca 0.96 1.52 -0.25 0.00 0.18 0.00 0.00 52.55 54.96 3phy s ASP 53 Cb -0.18 -2.30 -0.22 0.00 1.07 0.00 0.00 42.92 41.29 3phy s ASP 53 CO 0.26 -1.88 0.76 1.55 1.18 0.00 0.00 175.17 177.03 3phy h PRO 54 N -1.03 -0.01 0.00 8.23 0.13 -1.92 -1.96 132.00 135.44 3phy h PRO 54 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3phy h PRO 54 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3phy h PRO 54 CO 0.56 0.80 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.81 3phy h LYS 55 N -0.94 0.00 0.14 0.86 3.11 -1.95 -1.16 116.57 116.62 3phy h LYS 55 Ca -0.00 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.55 3phy h LYS 55 Cb 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 3phy h LYS 55 CO 0.00 0.11 -1.44 1.96 -2.81 0.00 0.00 179.45 177.27 3phy h GLN 56 N 0.00 0.29 0.00 1.90 1.08 -1.96 -3.27 115.11 113.15 3phy h GLN 56 Ca -0.00 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3phy h GLN 56 Cb 0.27 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3phy h GLN 56 CO 0.01 1.24 0.00 1.33 -0.95 0.00 0.00 178.83 180.47 3phy n VAL 57 N -3.86 0.17 -2.25 -0.54 0.24 -0.74 -4.51 118.33 106.84 3phy n VAL 57 Ca -0.24 0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 3phy n VAL 57 Cb 0.94 -0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3phy s ILE 58 N -2.32 3.87 0.00 1.34 1.01 -0.46 -1.62 121.20 123.01 3phy s ILE 58 Ca 0.27 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3phy s ILE 58 Cb 0.16 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3phy s ILE 58 CO 0.31 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3phy n GLY 59 N 3.70 2.38 3.74 6.18 0.00 -1.26 -5.00 105.19 114.92 3phy n GLY 59 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.47 4.77 -0.45 1.61 -0.14 -0.64 -4.78 119.74 119.64 3phy s LYS 60 Ca 0.00 1.47 -0.29 0.00 -1.36 0.00 0.00 55.97 55.80 3phy s LYS 60 Cb 0.00 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.84 3phy s LYS 60 CO 0.00 0.34 1.27 -0.80 -0.76 0.00 0.00 175.35 175.40 3phy s ASN 61 N -0.51 6.49 0.16 2.83 0.01 -1.26 -3.04 114.94 119.62 3phy s ASN 61 Ca 0.44 0.63 0.15 0.00 -0.71 0.00 0.00 52.86 53.38 3phy s ASN 61 Cb -0.25 -2.55 0.72 0.00 0.41 0.00 0.00 41.25 39.59 3phy s ASN 61 CO 0.31 -1.35 1.47 0.33 -1.51 0.00 0.00 177.10 176.35 3phy n PHE 62 N 8.33 0.43 0.02 2.20 7.35 -1.14 0.23 117.46 134.89 3phy n PHE 62 Ca 0.14 0.20 0.08 0.00 -0.76 0.00 0.00 57.45 57.11 3phy n PHE 62 Cb 0.49 -0.82 0.26 0.00 0.35 0.00 0.00 39.48 39.76 3phy n PHE 62 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3phy n PHE 63 N -1.92 1.00 0.00 -5.13 3.72 -1.26 -3.12 117.46 110.75 3phy n PHE 63 Ca 0.01 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 3phy n PHE 63 Cb 0.10 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3phy n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3phy n LYS 64 N 0.93 0.00 0.12 -1.08 4.81 -0.76 -4.08 118.16 118.10 3phy n LYS 64 Ca 0.19 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 3phy n LYS 64 Cb 0.62 0.00 0.48 0.00 0.02 0.00 0.00 35.03 36.15 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3phy n ASP 65 N -2.04 0.58 0.06 3.14 -0.08 0.14 -4.06 116.55 114.28 3phy n ASP 65 Ca 0.00 0.66 0.00 0.00 -1.51 0.00 0.00 54.79 53.94 3phy n ASP 65 Cb 0.00 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 42.68 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3phy n VAL 66 N -2.16 0.67 -3.87 5.18 0.31 -0.44 -4.76 118.33 113.25 3phy n VAL 66 Ca 0.02 0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 64.23 3phy n VAL 66 Cb 0.19 -1.25 -0.13 0.00 -0.91 0.00 0.00 33.84 31.74 3phy n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3phy s ALA 67 N -2.00 3.13 -1.85 3.52 0.00 -1.18 -4.93 121.76 118.45 3phy s ALA 67 Ca 0.00 -2.69 0.23 0.00 0.00 0.00 0.00 51.96 49.50 3phy s ALA 67 Cb 0.00 -2.26 1.33 0.00 0.00 0.00 0.00 23.12 22.19 3phy s ALA 67 CO 0.00 -1.82 1.76 -0.35 0.00 0.00 0.00 175.76 175.36 3phy n PRO 68 N 4.21 0.63 0.01 0.00 -0.04 -1.26 -2.80 135.00 135.75 3phy n PRO 68 Ca 0.02 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3phy n PRO 68 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy n THR 70 N -2.86 0.08 -1.55 0.00 -2.24 -1.12 -3.76 114.28 102.82 3phy n THR 70 Ca -0.13 0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3phy n THR 70 Cb 0.89 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 3phy n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3phy n ASP 71 N -1.08 6.73 -4.44 3.42 -0.08 -1.25 -0.54 116.55 119.31 3phy n ASP 71 Ca 0.16 -3.13 -0.30 0.00 -1.51 0.00 0.00 54.79 50.01 3phy n ASP 71 Cb 0.11 -1.28 -0.08 0.00 2.34 0.00 0.00 41.12 42.22 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3phy s SER 72 N 0.50 3.51 0.00 1.67 0.01 -1.25 -4.89 113.70 113.25 3phy s SER 72 Ca 0.59 -1.68 0.29 0.00 1.31 0.00 0.00 55.95 56.46 3phy s SER 72 Cb 0.34 0.54 1.69 0.00 0.21 0.00 0.00 66.02 68.80 3phy s SER 72 CO -0.18 -0.90 2.07 -0.81 0.41 0.00 0.00 173.24 173.82 3phy n PRO 73 N -1.10 0.82 -0.05 12.44 -0.04 -1.26 0.23 135.00 146.04 3phy n PRO 73 Ca -0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 3phy n PRO 73 Cb 0.66 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 3phy n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3phy n GLU 74 N -1.05 1.92 0.00 0.54 1.02 -1.26 -3.79 120.64 118.02 3phy n GLU 74 Ca 0.20 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3phy n GLU 74 Cb 0.12 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3phy n PHE 75 N -2.38 0.00 0.43 -0.32 -0.00 -1.22 -4.09 117.46 109.88 3phy n PHE 75 Ca -0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.40 3phy n PHE 75 Cb 0.83 0.00 0.48 0.00 -0.00 0.00 0.00 39.48 40.79 3phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3phy h TYR 76 N 0.00 0.00 0.62 -5.13 3.20 0.05 -2.97 116.97 112.74 3phy h TYR 76 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3phy h TYR 76 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 3phy h TYR 76 CO 0.00 0.00 -0.30 0.78 -1.64 0.00 0.00 178.16 177.00 3phy h GLY 77 N 2.77 -0.87 2.00 1.82 0.00 -0.31 -0.21 103.07 108.27 3phy h GLY 77 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3phy h GLY 77 CO 0.00 -0.32 0.00 0.50 0.00 0.00 0.00 176.54 176.72 3phy h LYS 78 N -0.98 0.00 0.09 4.80 1.79 -1.65 -0.79 116.57 119.84 3phy h LYS 78 Ca -0.09 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.10 3phy h LYS 78 Cb 0.64 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3phy h LYS 78 CO 0.14 0.00 -1.15 0.35 -1.08 0.00 0.00 179.45 177.71 3phy h PHE 79 N 0.00 0.99 0.00 -1.35 3.04 -1.30 -0.82 116.94 117.50 3phy h PHE 79 Ca 0.00 -0.60 0.00 0.00 3.98 0.00 0.00 57.97 61.35 3phy h PHE 79 Cb 0.12 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3phy h PHE 79 CO 0.00 1.44 0.00 1.63 -2.02 0.00 0.00 178.31 179.36 3phy n LYS 80 N -3.85 0.18 -0.08 1.11 5.02 -0.12 -1.54 118.16 118.88 3phy n LYS 80 Ca -0.13 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 3phy n LYS 80 Cb 0.94 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.32 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3phy n GLU 81 N -1.39 0.68 -0.13 1.97 -0.58 -0.81 -3.56 120.64 116.82 3phy n GLU 81 Ca 0.09 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 81 Cb 0.25 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3phy h GLY 82 N 1.32 1.05 1.14 0.62 0.00 -1.11 -0.70 103.07 105.39 3phy h GLY 82 Ca -0.52 -1.04 0.01 0.00 0.00 0.00 0.00 47.33 45.78 3phy h GLY 82 CO -0.05 0.94 0.58 -2.08 0.00 0.00 0.00 176.54 175.93 3phy h VAL 83 N 0.80 1.23 -0.00 4.60 2.07 -1.46 -0.62 116.25 122.86 3phy h VAL 83 Ca 0.07 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3phy h VAL 83 Cb 0.94 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3phy h VAL 83 CO 0.09 0.22 -0.25 0.00 0.02 0.00 0.00 177.57 177.64 3phy n ALA 84 N -2.40 3.03 0.10 1.67 0.00 -1.09 -3.78 120.51 118.04 3phy n ALA 84 Ca 0.10 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.33 3phy n ALA 84 Cb 0.02 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.09 3phy n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3phy n SER 85 N -1.07 0.34 -0.02 0.00 2.88 -0.29 -4.97 113.62 110.49 3phy n SER 85 Ca 0.10 -0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3phy n SER 85 Cb 0.32 1.84 -0.00 0.00 -0.75 0.00 0.00 64.21 65.62 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3phy n GLY 86 N 1.34 0.44 2.73 0.46 0.00 -0.34 -4.93 105.19 104.90 3phy n GLY 86 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3phy n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3phy n ASN 87 N 1.16 -2.65 -4.68 1.61 5.15 -1.19 -5.06 115.26 109.60 3phy n ASN 87 Ca -0.00 -3.42 -0.43 0.00 -0.60 0.00 0.00 54.58 50.13 3phy n ASN 87 Cb 0.01 1.80 -0.03 0.00 -0.53 0.00 0.00 39.78 41.03 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3phy n LEU 88 N 1.24 3.90 -2.91 1.20 7.94 -1.25 -4.83 117.00 122.29 3phy n LEU 88 Ca 0.08 0.99 -0.02 0.00 -1.11 0.00 0.00 56.01 55.95 3phy n LEU 88 Cb 0.65 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 43.09 3phy n LEU 88 CO 0.04 0.11 0.14 0.21 -1.11 0.00 0.00 177.39 176.78 3phy s ASN 89 N 2.90 -1.39 0.25 1.96 3.04 -1.26 -1.21 114.94 119.23 3phy s ASN 89 Ca 0.84 -1.29 -0.04 0.00 0.04 0.00 0.00 52.86 52.41 3phy s ASN 89 Cb -0.52 1.80 -0.02 0.00 -1.54 0.00 0.00 41.25 40.97 3phy s ASN 89 CO 0.40 -0.09 0.30 0.28 -3.04 0.00 0.00 177.10 174.95 3phy s THR 90 N 1.25 0.00 0.28 -5.21 -1.32 -1.05 -5.04 115.64 104.56 3phy s THR 90 Ca 0.24 -1.76 -0.18 0.00 -1.21 0.00 0.00 61.69 58.78 3phy s THR 90 Cb -0.01 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 3phy s THR 90 CO -0.06 0.00 0.65 0.00 -2.21 0.00 0.00 174.62 172.99 3phy s MET 91 N -3.85 1.76 0.00 7.08 0.23 -1.26 -1.75 119.30 121.51 3phy s MET 91 Ca 0.33 -1.13 0.00 0.00 -1.03 0.00 0.00 55.69 53.86 3phy s MET 91 Cb 0.03 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.90 3phy s MET 91 CO 0.14 -0.79 0.00 1.97 -2.03 0.00 0.00 175.02 174.32 3phy n PHE 92 N -0.45 0.00 -2.67 3.16 1.16 -1.17 -4.99 117.46 112.50 3phy n PHE 92 Ca -0.04 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.12 3phy n PHE 92 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 3phy n PHE 92 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3phy s GLU 93 N -2.00 4.50 0.26 3.97 2.02 -1.26 -1.69 118.70 124.50 3phy s GLU 93 Ca 0.00 1.45 0.01 0.00 0.02 0.00 0.00 54.97 56.46 3phy s GLU 93 Cb 0.00 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 3phy s GLU 93 CO 0.00 -0.17 0.09 -0.47 0.02 0.00 0.00 175.26 174.74 3phy s TYR 94 N 1.38 1.56 -0.08 1.61 5.04 -0.89 -4.96 117.35 121.02 3phy s TYR 94 Ca 0.52 -1.17 -0.03 0.00 -2.44 0.00 0.00 57.07 53.95 3phy s TYR 94 Cb -0.21 -0.92 0.04 0.00 0.35 0.00 0.00 41.96 41.22 3phy s TYR 94 CO 0.25 -0.32 0.09 0.99 -1.34 0.00 0.00 175.55 175.22 3phy s THR 95 N -3.73 -0.15 -0.24 4.34 2.01 -1.26 -2.49 115.64 114.13 3phy s THR 95 Ca 0.38 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.48 3phy s THR 95 Cb 0.08 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 3phy s THR 95 CO 0.14 0.08 0.60 -0.36 -0.69 0.00 0.00 174.62 174.39 3phy s PHE 96 N 2.20 3.31 -0.31 4.92 0.08 -0.37 -4.92 117.98 122.89 3phy s PHE 96 Ca 0.04 0.81 0.19 0.00 0.12 0.00 0.00 56.93 58.08 3phy s PHE 96 Cb -0.13 -2.79 0.47 0.00 -0.57 0.00 0.00 43.02 40.00 3phy s PHE 96 CO -0.05 -0.26 1.07 -3.47 -0.10 0.00 0.00 175.22 172.41 3phy n ASP 97 N 5.42 1.04 -3.66 1.36 -0.08 -1.26 -2.14 116.55 117.23 3phy n ASP 97 Ca -0.02 -2.44 -0.41 0.00 -1.51 0.00 0.00 54.79 50.41 3phy n ASP 97 Cb 0.49 -0.32 -0.00 0.00 2.34 0.00 0.00 41.12 43.63 3phy n ASP 97 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3phy n TYR 98 N -0.36 2.95 -2.06 -0.67 4.11 -1.26 -4.33 117.16 115.54 3phy n TYR 98 Ca 0.06 -2.90 -0.03 0.00 -0.00 0.00 0.00 57.90 55.03 3phy n TYR 98 Cb 0.82 -2.19 -0.00 0.00 -0.00 0.00 0.00 39.34 37.97 3phy n TYR 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3phy n GLN 99 N 4.04 -0.23 -4.19 -3.48 -0.00 -1.26 -5.04 117.38 107.23 3phy n GLN 99 Ca 0.54 0.13 -0.12 0.00 -0.00 0.00 0.00 57.00 57.54 3phy n GLN 99 Cb 0.33 -3.76 -0.09 0.00 -0.00 0.00 0.00 30.24 26.72 3phy n GLN 99 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3phy s MET 100 N -4.15 1.30 1.12 2.61 1.75 -1.26 -5.14 119.30 115.53 3phy s MET 100 Ca 0.00 -1.63 -0.19 0.00 -1.25 0.00 0.00 55.69 52.62 3phy s MET 100 Cb -0.00 0.30 0.10 0.00 2.84 0.00 0.00 34.83 38.07 3phy s MET 100 CO 0.00 -0.45 -0.06 0.25 -0.65 0.00 0.00 175.02 174.11 3phy n THR 101 N -0.32 0.00 -2.44 10.11 -2.24 -1.26 -4.76 114.28 113.36 3phy n THR 101 Ca 0.02 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 3phy n THR 101 Cb 0.65 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3phy n THR 101 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3phy s PRO 102 N -3.39 3.29 -0.06 -0.78 0.04 -1.26 -4.59 135.00 128.25 3phy s PRO 102 Ca 0.54 -0.75 -0.22 0.00 0.04 0.00 0.00 61.00 60.61 3phy s PRO 102 Cb -0.10 -5.08 -0.04 0.00 0.04 0.00 0.00 34.50 29.32 3phy s PRO 102 CO 0.64 -2.44 0.63 0.99 0.04 0.00 0.00 177.00 176.86 3phy s THR 103 N 6.22 5.04 -0.03 1.26 2.01 -0.91 -4.98 115.64 124.25 3phy s THR 103 Ca 0.50 1.30 0.02 0.00 0.31 0.00 0.00 61.69 63.82 3phy s THR 103 Cb -0.03 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 3phy s THR 103 CO -0.03 0.31 -0.06 -1.59 -0.69 0.00 0.00 174.62 172.56 3phy s LYS 104 N 0.51 2.66 -0.15 4.92 0.00 -1.26 -1.23 119.74 125.19 3phy s LYS 104 Ca 0.34 -0.64 -0.25 0.00 0.00 0.00 0.00 55.97 55.42 3phy s LYS 104 Cb -0.17 -2.56 0.06 0.00 0.00 0.00 0.00 37.83 35.15 3phy s LYS 104 CO 0.16 0.63 0.62 0.14 0.00 0.00 0.00 175.35 176.90 3phy s VAL 105 N -0.94 0.01 -0.29 1.79 -7.23 -1.04 -1.74 120.40 110.96 3phy s VAL 105 Ca 0.16 -0.05 -0.13 0.00 -1.81 0.00 0.00 61.98 60.15 3phy s VAL 105 Cb -0.11 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 3phy s VAL 105 CO 0.05 -0.03 0.28 -1.59 -0.31 0.00 0.00 175.10 173.51 3phy s LYS 106 N -0.38 3.90 0.52 4.82 0.00 -0.69 -2.09 119.74 125.82 3phy s LYS 106 Ca -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 55.97 55.65 3phy s LYS 106 Cb -0.03 -3.69 -0.01 0.00 0.00 0.00 0.00 37.83 34.10 3phy s LYS 106 CO 0.04 -0.27 0.81 0.14 0.00 0.00 0.00 175.35 176.07 3phy s VAL 107 N 1.90 4.30 -0.29 1.79 -7.23 -0.68 -1.79 120.40 118.39 3phy s VAL 107 Ca 0.10 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.32 3phy s VAL 107 Cb -0.16 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.32 3phy s VAL 107 CO 0.11 -0.63 0.61 -2.28 -0.31 0.00 0.00 175.10 172.60 3phy s HIS 108 N -2.81 -1.73 0.11 2.82 2.46 -0.53 -3.06 115.29 112.55 3phy s HIS 108 Ca 0.50 1.29 0.07 0.00 0.47 0.00 0.00 55.06 57.39 3phy s HIS 108 Cb -0.10 0.40 -0.04 0.00 -0.13 0.00 0.00 32.58 32.71 3phy s HIS 108 CO 0.44 -0.99 -0.08 -1.64 -2.47 0.00 0.00 174.74 170.00 3phy s MET 109 N 2.84 2.18 0.17 2.88 1.00 -0.72 -1.48 119.30 126.19 3phy s MET 109 Ca 0.14 -1.03 -0.12 0.00 0.00 0.00 0.00 55.69 54.69 3phy s MET 109 Cb -0.12 -2.32 0.00 0.00 0.00 0.00 0.00 34.83 32.39 3phy s MET 109 CO -0.24 0.50 0.37 0.21 0.00 0.00 0.00 175.02 175.86 3phy s LYS 110 N -2.32 1.23 -0.13 2.03 2.20 -0.11 -2.52 119.74 120.13 3phy s LYS 110 Ca 0.23 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 3phy s LYS 110 Cb -0.11 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 3phy s LYS 110 CO 0.15 -0.48 1.50 -1.59 -0.36 0.00 0.00 175.35 174.57 3phy s LYS 111 N -3.93 4.12 0.21 4.03 0.00 -0.35 -1.71 119.74 122.11 3phy s LYS 111 Ca 0.14 1.88 -0.31 0.00 0.00 0.00 0.00 55.97 57.68 3phy s LYS 111 Cb 0.02 -3.92 -0.10 0.00 0.00 0.00 0.00 37.83 33.83 3phy s LYS 111 CO -0.01 -0.89 1.46 0.00 0.00 0.00 0.00 175.35 175.91 3phy s ALA 112 N 4.08 3.66 -1.69 0.59 0.00 -1.00 -4.75 121.76 122.65 3phy s ALA 112 Ca 0.66 1.31 0.23 0.00 0.00 0.00 0.00 51.96 54.15 3phy s ALA 112 Cb -0.27 -3.57 1.24 0.00 0.00 0.00 0.00 23.12 20.52 3phy s ALA 112 CO 0.24 -0.73 1.73 1.47 0.00 0.00 0.00 175.76 178.47 3phy n LEU 113 N 2.93 0.00 0.30 0.00 -0.00 -1.26 -1.35 117.00 117.61 3phy n LEU 113 Ca 0.09 0.16 0.15 0.00 -0.00 0.00 0.00 56.01 56.41 3phy n LEU 113 Cb 0.40 -0.16 0.91 0.00 -0.00 0.00 0.00 43.42 44.58 3phy n LEU 113 CO 0.60 -0.04 1.10 0.28 -0.00 0.00 0.00 177.39 179.34 3phy h SER 114 N 0.00 0.00 0.00 1.45 0.02 -1.89 -3.39 113.55 109.74 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 114 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3phy h SER 114 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 3phy n GLY 115 N -1.18 0.00 2.70 -3.77 0.00 -1.19 -4.92 105.19 96.84 3phy n GLY 115 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3phy n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3phy n ASP 116 N 0.00 -5.65 -3.45 1.61 2.03 -0.46 -4.98 116.55 105.65 3phy n ASP 116 Ca 0.00 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3phy n ASP 116 Cb 0.00 -4.56 0.00 0.00 -0.72 0.00 0.00 41.12 35.84 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3phy n SER 117 N -1.95 0.00 -3.37 1.67 7.64 -0.51 -4.67 113.62 112.43 3phy n SER 117 Ca -0.15 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.62 3phy n SER 117 Cb 0.63 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.75 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N 0.00 -0.73 0.03 1.43 2.02 -1.13 -2.38 117.35 116.58 3phy s TYR 118 Ca 0.00 0.69 0.06 0.00 -0.37 0.00 0.00 57.07 57.45 3phy s TYR 118 Cb 0.00 -0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 3phy s TYR 118 CO 0.00 -0.72 -0.16 1.67 -1.57 0.00 0.00 175.55 174.77 3phy s TRP 119 N 2.51 2.61 -0.27 2.71 1.48 -0.69 -1.27 118.94 126.01 3phy s TRP 119 Ca 0.12 -0.22 0.03 0.00 -1.06 0.00 0.00 56.10 54.96 3phy s TRP 119 Cb -0.15 -1.50 0.06 0.00 -1.16 0.00 0.00 33.47 30.72 3phy s TRP 119 CO -0.16 0.26 -0.09 0.08 -4.06 0.00 0.00 176.95 172.97 3phy s VAL 120 N -0.91 2.18 -0.02 -0.66 1.01 -0.36 -0.93 120.40 120.70 3phy s VAL 120 Ca 0.15 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.22 3phy s VAL 120 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3phy s VAL 120 CO 0.05 -0.09 0.56 -0.36 0.00 0.00 0.00 175.10 175.27 3phy s PHE 121 N 1.08 3.66 -0.24 5.22 0.08 -0.55 -3.08 117.98 124.15 3phy s PHE 121 Ca -0.07 1.13 -0.04 0.00 0.12 0.00 0.00 56.93 58.07 3phy s PHE 121 Cb -0.20 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 3phy s PHE 121 CO -0.05 0.34 -0.01 0.08 -0.10 0.00 0.00 175.22 175.47 3phy s VAL 122 N -0.10 3.49 -0.44 -0.44 1.01 -0.78 -1.45 120.40 121.69 3phy s VAL 122 Ca 0.30 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 3phy s VAL 122 Cb -0.18 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3phy s VAL 122 CO 0.16 0.30 0.70 -0.75 0.00 0.00 0.00 175.10 175.51 3phy s LYS 123 N 1.47 3.34 -0.09 2.72 2.47 -0.74 -2.20 119.74 126.72 3phy s LYS 123 Ca 0.04 -0.25 -0.29 0.00 -1.56 0.00 0.00 55.97 53.91 3phy s LYS 123 Cb -0.15 -3.94 -0.06 0.00 -1.46 0.00 0.00 37.83 32.22 3phy s LYS 123 CO -0.02 -1.05 1.81 0.50 0.16 0.00 0.00 175.35 176.75 3phy s ARG 124 N 3.01 3.95 0.00 4.03 6.06 -1.21 -1.71 118.95 133.09 3phy s ARG 124 Ca 0.26 2.17 0.28 0.00 -2.50 0.00 0.00 55.73 55.94 3phy s ARG 124 Cb -0.13 -4.10 0.96 0.00 0.06 0.00 0.00 34.95 31.74 3phy s ARG 124 CO 0.20 -1.14 1.69 0.28 -2.50 0.00 0.00 175.30 173.84