#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 -2.53 0.00 0.03 -0.58 -1.26 -4.89 120.64 111.41 3phy n GLU 2 Ca 0.00 2.16 0.00 0.00 -0.42 0.00 0.00 57.16 58.90 3phy n GLU 2 Cb 0.00 -4.44 0.00 0.00 -0.57 0.00 0.00 31.44 26.43 3phy n GLU 2 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3phy n HIS 3 N 0.44 0.00 -3.66 -0.32 -0.00 -1.26 -5.12 115.22 105.30 3phy n HIS 3 Ca 0.02 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.14 3phy n HIS 3 Cb 0.28 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.07 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3phy s VAL 4 N 0.00 -0.74 0.13 3.57 0.11 -1.26 -5.05 120.40 117.16 3phy s VAL 4 Ca 0.00 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3phy s VAL 4 Cb 0.00 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3phy s VAL 4 CO 0.00 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.82 3phy n ALA 5 N 5.38 -1.81 -0.29 1.54 0.00 -1.26 -1.27 120.51 122.79 3phy n ALA 5 Ca -0.10 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3phy n ALA 5 Cb 0.49 -0.59 0.15 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.24 0.35 0.00 0.00 3.01 -1.26 -4.12 117.46 113.20 3phy n PHE 6 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 57.45 59.45 3phy n PHE 6 Cb 0.25 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 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 -1.49 0.00 3.79 1.37 0.00 -1.18 -4.59 105.19 103.09 3phy n GLY 7 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3phy n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3phy s SER 8 N 0.00 4.27 -1.23 1.61 0.01 -0.40 -4.93 113.70 113.04 3phy s SER 8 Ca 0.00 1.32 -0.06 0.00 1.31 0.00 0.00 55.95 58.52 3phy s SER 8 Cb 0.00 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.25 3phy s SER 8 CO 0.00 -2.11 2.59 -0.62 0.41 0.00 0.00 173.24 173.51 3phy n GLU 9 N -3.52 4.09 -3.35 12.44 1.02 -1.26 -4.67 120.64 125.38 3phy n GLU 9 Ca 0.07 -3.01 -0.16 0.00 -0.02 0.00 0.00 57.16 54.05 3phy n GLU 9 Cb 0.56 -2.58 0.04 0.00 -0.02 0.00 0.00 31.44 29.44 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 1.99 -6.52 0.35 1.62 -0.08 -1.26 -4.77 116.55 107.88 3phy n ASP 10 Ca 0.63 -0.62 -0.17 0.00 -1.51 0.00 0.00 54.79 53.12 3phy n ASP 10 Cb 0.30 -4.49 -0.09 0.00 2.34 0.00 0.00 41.12 39.18 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3phy h ILE 11 N -0.77 0.31 -0.79 5.18 1.08 -1.92 -2.31 117.51 118.29 3phy h ILE 11 Ca -0.44 -0.13 0.28 0.00 -0.39 0.00 0.00 64.86 64.17 3phy h ILE 11 Cb 1.24 0.35 -0.15 0.00 -3.07 0.00 0.00 36.82 35.20 3phy h ILE 11 CO 0.40 0.02 0.23 -0.62 -0.69 0.00 0.00 178.15 177.49 3phy n GLU 12 N -5.44 -0.06 0.03 2.37 1.02 -1.26 0.14 120.64 117.45 3phy n GLU 12 Ca -0.13 1.14 -0.19 0.00 -0.02 0.00 0.00 57.16 57.96 3phy n GLU 12 Cb 0.37 -1.93 -0.11 0.00 -0.02 0.00 0.00 31.44 29.75 3phy n GLU 12 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3phy h ASN 13 N 0.00 0.69 0.46 1.62 -0.73 -1.88 -2.69 115.58 113.05 3phy h ASN 13 Ca 0.58 -0.77 0.00 0.00 1.87 0.00 0.00 56.30 57.98 3phy h ASN 13 Cb 1.40 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.77 3phy h ASN 13 CO -0.68 1.38 0.00 0.41 -0.37 0.00 0.00 177.43 178.17 3phy n THR 14 N -4.05 0.97 -0.01 -3.57 -1.04 0.38 -1.68 114.28 105.27 3phy n THR 14 Ca -0.11 0.39 0.05 0.00 -2.04 0.00 0.00 64.05 62.34 3phy n THR 14 Cb 0.78 -1.33 -0.13 0.00 -1.82 0.00 0.00 70.33 67.83 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 -2.14 0.23 0.03 -4.42 4.77 0.10 -2.49 117.00 113.07 3phy n LEU 15 Ca 0.01 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3phy n LEU 15 Cb 0.16 0.12 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 3phy n LEU 15 CO 0.15 0.11 0.28 0.00 -1.33 0.00 0.00 177.39 176.60 3phy n ALA 16 N -2.38 3.35 0.03 -1.18 0.00 -0.84 -4.63 120.51 114.86 3phy n ALA 16 Ca -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 3phy n ALA 16 Cb 0.74 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 3phy n ALA 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3phy n LYS 17 N -1.82 0.03 -1.26 0.00 3.00 -0.68 -5.09 118.16 112.33 3phy n LYS 17 Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3phy n LYS 17 Cb 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3phy n LYS 17 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3phy n MET 18 N -3.21 -3.40 0.00 1.64 2.81 -1.04 -5.03 117.12 108.89 3phy n MET 18 Ca -0.01 2.61 0.00 0.00 -1.81 0.00 0.00 57.70 58.49 3phy n MET 18 Cb 0.03 -3.17 0.00 0.00 -0.71 0.00 0.00 33.22 29.37 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3phy n ASP 19 N -1.99 0.00 -3.49 7.83 8.00 -1.26 -4.93 116.55 120.71 3phy n ASP 19 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3phy n ASP 19 Cb 0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.00 7.81 -0.39 -2.24 2.03 -1.26 -4.45 116.55 118.05 3phy n ASP 20 Ca 0.00 -3.02 -0.05 0.00 0.52 0.00 0.00 54.79 52.23 3phy n ASP 20 Cb 0.00 -1.42 -0.02 0.00 -0.72 0.00 0.00 41.12 38.96 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3phy n GLY 21 N 2.23 0.76 2.43 0.27 0.00 -1.26 -2.66 105.19 106.96 3phy n GLY 21 Ca 0.63 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 3phy n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3phy n GLN 22 N -2.43 -1.63 -3.77 1.61 7.27 -1.26 -1.68 117.38 115.48 3phy n GLN 22 Ca -0.05 1.01 -0.29 0.00 0.07 0.00 0.00 57.00 57.74 3phy n GLN 22 Cb 0.22 -5.53 0.01 0.00 2.41 0.00 0.00 30.24 27.34 3phy n GLN 22 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3phy n LEU 23 N -2.66 -2.06 0.00 1.69 4.32 -1.09 -4.79 117.00 112.42 3phy n LEU 23 Ca -0.21 -0.69 0.07 0.00 -0.02 0.00 0.00 56.01 55.16 3phy n LEU 23 Cb 0.65 -2.34 0.30 0.00 -1.62 0.00 0.00 43.42 40.41 3phy n LEU 23 CO 0.27 0.32 0.71 -0.90 -1.22 0.00 0.00 177.39 176.58 3phy n ASP 24 N -2.61 0.00 -1.51 -1.43 5.68 -0.68 -2.34 116.55 113.66 3phy n ASP 24 Ca 0.03 0.45 0.02 0.00 -0.50 0.00 0.00 54.79 54.79 3phy n ASP 24 Cb 0.53 -0.47 0.26 0.00 -1.14 0.00 0.00 41.12 40.30 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3phy n GLY 25 N -0.11 2.67 3.76 6.12 0.00 -1.26 -3.12 105.19 113.26 3phy n GLY 25 Ca 0.04 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.95 3.56 0.00 0.99 1.43 -0.99 -4.89 118.68 116.83 3phy s LEU 26 Ca 0.38 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.72 3phy s LEU 26 Cb 0.29 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 42.24 3phy s LEU 26 CO 0.11 -1.53 1.23 0.00 0.23 0.00 0.00 176.35 176.39 3phy n ALA 27 N -1.90 2.48 -3.56 4.21 0.00 -1.26 -4.64 120.51 115.85 3phy n ALA 27 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 3phy n ALA 27 Cb 0.51 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.75 -0.93 0.98 0.00 -0.71 -1.26 -3.20 117.98 111.11 3phy s PHE 28 Ca 0.17 1.50 -0.13 0.00 -1.04 0.00 0.00 56.93 57.43 3phy s PHE 28 Cb 0.09 0.33 0.08 0.00 -1.21 0.00 0.00 43.02 42.30 3phy s PHE 28 CO 0.12 -0.58 0.51 0.41 -1.34 0.00 0.00 175.22 174.33 3phy n GLY 29 N 5.40 -1.80 2.72 1.99 0.00 0.79 -4.59 105.19 109.69 3phy n GLY 29 Ca -0.07 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 3phy n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3phy s ALA 30 N -2.42 0.64 0.24 4.61 0.00 -1.18 -1.25 121.76 122.40 3phy s ALA 30 Ca 0.59 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.43 3phy s ALA 30 Cb -0.20 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3phy s ALA 30 CO 0.66 -0.75 -0.19 0.96 0.00 0.00 0.00 175.76 176.44 3phy s ILE 31 N 2.01 2.59 0.35 0.00 -5.25 -1.06 -3.77 121.20 116.07 3phy s ILE 31 Ca 0.03 -2.18 0.07 0.00 -0.99 0.00 0.00 60.65 57.57 3phy s ILE 31 Cb -0.14 -2.32 -0.07 0.00 2.95 0.00 0.00 42.46 42.88 3phy s ILE 31 CO -0.06 -0.28 -0.01 -1.10 -1.79 0.00 0.00 174.94 171.69 3phy s GLN 32 N -3.20 1.78 -0.02 0.37 -0.21 -0.63 -1.37 119.66 116.38 3phy s GLN 32 Ca 0.27 -1.97 -0.18 0.00 0.02 0.00 0.00 55.36 53.50 3phy s GLN 32 Cb -0.06 -1.37 0.03 0.00 1.00 0.00 0.00 33.01 32.61 3phy s GLN 32 CO 0.14 -0.03 0.38 -0.51 -2.12 0.00 0.00 175.29 173.15 3phy s LEU 33 N -3.59 0.55 0.40 2.90 1.43 0.14 -2.25 118.68 118.26 3phy s LEU 33 Ca 0.34 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 3phy s LEU 33 Cb 0.07 1.53 -0.01 0.00 0.03 0.00 0.00 46.19 47.81 3phy s LEU 33 CO 0.16 -0.49 0.41 -0.62 0.23 0.00 0.00 176.35 176.03 3phy s ASP 34 N -1.36 5.28 0.55 2.29 2.15 -0.08 -2.29 116.67 123.21 3phy s ASP 34 Ca -0.12 -0.60 0.38 0.00 0.43 0.00 0.00 52.55 52.64 3phy s ASP 34 Cb -0.04 -0.70 1.55 0.00 -0.30 0.00 0.00 42.92 43.43 3phy s ASP 34 CO 0.05 -0.61 1.74 1.23 -0.17 0.00 0.00 175.17 177.41 3phy h GLY 35 N 0.98 0.00 -0.71 2.66 0.00 -1.91 0.52 103.07 104.62 3phy h GLY 35 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3phy h GLY 35 CO 0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.31 3phy n ASP 36 N -4.05 1.03 -0.52 0.19 9.92 -1.26 -4.83 116.55 117.03 3phy n ASP 36 Ca 0.28 -2.00 -0.05 0.00 -0.53 0.00 0.00 54.79 52.49 3phy n ASP 36 Cb 1.37 -0.13 -0.01 0.00 -0.64 0.00 0.00 41.12 41.71 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 37 N 0.81 0.39 3.77 0.44 0.00 0.18 -4.95 105.19 105.83 3phy n GLY 37 Ca 0.06 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.83 6.69 0.33 1.61 0.02 -1.21 -1.58 114.94 117.97 3phy s ASN 38 Ca 0.00 0.82 -0.29 0.00 -1.02 0.00 0.00 52.86 52.37 3phy s ASN 38 Cb 0.00 -2.25 -0.11 0.00 0.02 0.00 0.00 41.25 38.91 3phy s ASN 38 CO 0.00 0.15 1.46 -0.51 0.02 0.00 0.00 177.10 178.23 3phy s ILE 39 N -0.11 2.29 -0.10 0.60 1.10 -1.18 -0.91 121.20 122.90 3phy s ILE 39 Ca 0.23 0.27 0.09 0.00 -0.51 0.00 0.00 60.65 60.74 3phy s ILE 39 Cb -0.15 -3.17 -0.13 0.00 0.15 0.00 0.00 42.46 39.15 3phy s ILE 39 CO 0.10 0.06 0.05 0.18 -2.11 0.00 0.00 174.94 173.22 3phy n LEU 40 N 1.16 0.00 -3.45 8.50 4.77 -0.95 -4.51 117.00 122.52 3phy n LEU 40 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3phy n LEU 40 Cb 0.40 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 3phy n LEU 40 CO 0.62 0.24 0.47 -1.58 -1.33 0.00 0.00 177.39 175.81 3phy s GLN 41 N -2.29 1.16 0.02 3.23 -0.44 -1.26 -4.90 119.66 115.17 3phy s GLN 41 Ca -0.05 -0.39 0.00 0.00 -2.50 0.00 0.00 55.36 52.42 3phy s GLN 41 Cb 0.03 0.54 0.00 0.00 -1.64 0.00 0.00 33.01 31.94 3phy s GLN 41 CO 0.43 -0.50 0.00 0.98 0.50 0.00 0.00 175.29 176.70 3phy n TYR 42 N -0.27 -0.15 0.00 1.67 9.36 -1.25 -1.61 117.16 124.92 3phy n TYR 42 Ca -0.15 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3phy n TYR 42 Cb 0.64 0.46 0.00 0.00 -0.63 0.00 0.00 39.34 39.80 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 -2.61 0.00 0.02 2.98 6.94 -1.26 -3.13 115.26 118.20 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 0.05 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.73 3.43 0.26 -2.53 0.00 -1.26 -3.96 120.51 115.73 3phy n ALA 44 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 3phy n ALA 44 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 2.46 -1.16 0.16 0.00 0.00 -1.82 0.45 119.26 119.36 3phy h ALA 45 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3phy h ALA 45 Cb 0.77 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3phy h ALA 45 CO 0.00 -1.12 -0.09 1.05 0.00 0.00 0.00 179.25 179.10 3phy h GLU 46 N -0.69 -0.23 0.00 0.00 -0.00 -1.85 -0.55 114.58 111.27 3phy h GLU 46 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 3phy h GLU 46 Cb 0.54 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.34 3phy h GLU 46 CO 0.10 -0.15 0.12 0.78 -0.00 0.00 0.00 179.01 179.86 3phy h GLY 47 N -0.23 0.00 1.14 1.06 0.00 -1.67 0.62 103.07 103.98 3phy h GLY 47 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 3phy h GLY 47 CO 0.03 0.00 -1.04 -1.80 0.00 0.00 0.00 176.54 173.72 3phy h ASP 48 N 0.00 0.84 0.32 0.19 3.58 0.16 0.78 116.42 122.29 3phy h ASP 48 Ca 0.00 -0.77 -0.02 0.00 0.42 0.00 0.00 57.03 56.66 3phy h ASP 48 Cb 0.24 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.03 3phy h ASP 48 CO 0.00 1.52 -0.15 0.40 -2.88 0.00 0.00 179.24 178.12 3phy h ILE 49 N 0.27 0.11 0.00 2.25 1.08 -0.78 -3.26 117.51 117.18 3phy h ILE 49 Ca -0.14 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 3phy h ILE 49 Cb 1.71 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 3phy h ILE 49 CO 0.20 0.03 0.00 1.07 -0.69 0.00 0.00 178.15 178.76 3phy n THR 50 N -5.06 0.16 -0.56 -0.27 5.66 -0.74 -4.88 114.28 108.59 3phy n THR 50 Ca -0.06 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 3phy n THR 50 Cb 0.19 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3phy n GLY 51 N 1.16 1.50 3.56 1.09 0.00 0.26 -5.01 105.19 107.76 3phy n GLY 51 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.14 -0.19 0.25 1.61 0.52 -0.50 -4.83 118.95 115.66 3phy s ARG 52 Ca 0.00 1.11 0.02 0.00 -0.52 0.00 0.00 55.73 56.34 3phy s ARG 52 Cb 0.00 -1.62 -0.05 0.00 0.52 0.00 0.00 34.95 33.80 3phy s ARG 52 CO 0.00 -3.32 0.05 -0.51 0.02 0.00 0.00 175.30 171.55 3phy s ASP 53 N -2.58 1.47 0.08 0.23 1.01 -1.26 -4.17 116.67 111.44 3phy s ASP 53 Ca 0.68 -1.31 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 3phy s ASP 53 Cb -0.24 0.09 -0.23 0.00 1.01 0.00 0.00 42.92 43.55 3phy s ASP 53 CO 0.62 -0.64 1.17 1.55 0.21 0.00 0.00 175.17 178.08 3phy h PRO 54 N 2.42 0.55 0.00 8.23 0.13 -1.95 -1.92 132.00 139.46 3phy h PRO 54 Ca -0.38 -0.69 -0.09 0.00 -0.87 0.00 0.00 66.00 63.97 3phy h PRO 54 Cb 1.23 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 3phy h PRO 54 CO 0.63 1.29 -0.43 1.57 -0.23 0.00 0.00 178.00 180.83 3phy h LYS 55 N 0.27 0.00 0.12 0.86 2.10 -1.97 -2.95 116.57 115.00 3phy h LYS 55 Ca -0.15 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.34 3phy h LYS 55 Cb 1.81 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.16 3phy h LYS 55 CO 0.21 0.43 -0.70 0.37 -2.00 0.00 0.00 179.45 177.77 3phy h GLN 56 N 0.00 0.26 0.00 0.07 5.75 -1.96 -3.17 115.11 116.06 3phy h GLN 56 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3phy h GLN 56 Cb 1.29 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.00 3phy h GLN 56 CO 0.06 1.21 0.00 1.33 -2.65 0.00 0.00 178.83 178.78 3phy n VAL 57 N -4.19 1.04 -2.11 2.39 0.24 -0.72 -4.44 118.33 110.52 3phy n VAL 57 Ca -0.13 0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 3phy n VAL 57 Cb 0.77 -1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.97 3.72 0.00 1.34 1.01 -1.11 -1.18 121.20 122.01 3phy s ILE 58 Ca 0.07 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3phy s ILE 58 Cb 0.09 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3phy s ILE 58 CO 0.24 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3phy n GLY 59 N 3.97 3.23 3.71 6.18 0.00 -1.26 -5.02 105.19 116.00 3phy n GLY 59 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.51 4.55 0.07 1.61 -0.14 -0.33 -4.86 119.74 120.13 3phy s LYS 60 Ca 0.00 1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 55.80 3phy s LYS 60 Cb 0.00 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 3phy s LYS 60 CO 0.00 -0.07 1.00 -0.80 -0.76 0.00 0.00 175.35 174.72 3phy s ASN 61 N 0.94 7.40 0.29 2.83 0.01 -1.26 -3.09 114.94 122.05 3phy s ASN 61 Ca 0.53 1.78 0.20 0.00 -0.71 0.00 0.00 52.86 54.66 3phy s ASN 61 Cb -0.23 -2.58 1.07 0.00 0.41 0.00 0.00 41.25 39.92 3phy s ASN 61 CO 0.28 -0.18 1.61 0.33 -1.51 0.00 0.00 177.10 177.63 3phy n PHE 62 N 3.27 0.67 -1.93 2.20 7.35 -0.61 -1.82 117.46 126.59 3phy n PHE 62 Ca 0.04 0.35 -0.03 0.00 -0.76 0.00 0.00 57.45 57.05 3phy n PHE 62 Cb 0.49 -1.06 0.12 0.00 0.35 0.00 0.00 39.48 39.39 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 -2.19 0.82 0.00 -5.13 3.72 -1.26 -3.52 117.46 109.90 3phy n PHE 63 Ca -0.01 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 3phy n PHE 63 Cb 0.04 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.74 0.00 0.00 -1.08 0.00 -0.76 -4.84 118.16 110.74 3phy n LYS 64 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.54 3phy n LYS 64 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.74 3phy n LYS 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3phy n ASP 65 N -1.57 0.49 -0.03 3.14 9.92 -0.82 -4.81 116.55 122.87 3phy n ASP 65 Ca 0.00 -1.22 -0.04 0.00 -0.53 0.00 0.00 54.79 53.01 3phy n ASP 65 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3phy n VAL 66 N -0.11 0.42 -3.25 2.53 0.31 -0.79 -4.82 118.33 112.62 3phy n VAL 66 Ca 0.00 -0.22 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 3phy n VAL 66 Cb 0.38 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 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 -2.15 -1.65 -1.88 3.52 0.00 -1.23 -4.99 121.76 113.38 3phy s ALA 67 Ca -0.06 0.58 0.24 0.00 0.00 0.00 0.00 51.96 52.72 3phy s ALA 67 Cb 0.02 -2.23 1.37 0.00 0.00 0.00 0.00 23.12 22.28 3phy s ALA 67 CO 0.22 -1.75 1.78 -0.35 0.00 0.00 0.00 175.76 175.66 3phy n PRO 68 N 5.38 0.66 -0.03 0.00 -0.04 -1.26 -2.74 135.00 136.97 3phy n PRO 68 Ca 0.02 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3phy n PRO 68 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.61 1.24 -1.91 0.00 -2.24 -1.11 -3.81 114.28 103.84 3phy n THR 70 Ca -0.17 0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 3phy n THR 70 Cb 0.87 -1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 3phy n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3phy n ASP 71 N -1.61 6.65 -3.83 3.42 8.00 -1.26 -0.74 116.55 127.19 3phy n ASP 71 Ca 0.02 -2.97 -0.12 0.00 0.71 0.00 0.00 54.79 52.44 3phy n ASP 71 Cb 0.13 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.68 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3phy s SER 72 N 1.33 0.29 -1.26 -2.24 0.01 -1.25 -4.94 113.70 105.64 3phy s SER 72 Ca 0.52 -1.22 -0.19 0.00 1.31 0.00 0.00 55.95 56.37 3phy s SER 72 Cb 0.15 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.94 3phy s SER 72 CO -0.06 -1.10 1.85 -0.81 0.41 0.00 0.00 173.24 173.53 3phy n PRO 73 N -0.41 2.63 0.00 12.44 -0.04 -1.26 -1.41 135.00 146.96 3phy n PRO 73 Ca 0.00 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 3phy n PRO 73 Cb 0.63 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 3phy n PRO 73 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3phy n GLU 74 N 8.05 0.00 -0.01 0.54 2.13 -1.26 -4.84 120.64 125.24 3phy n GLU 74 Ca 0.48 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.29 3phy n GLU 74 Cb 0.45 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.16 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3phy n PHE 75 N 0.00 0.00 0.24 4.31 -0.00 -1.14 -4.17 117.46 116.70 3phy n PHE 75 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 3phy n PHE 75 Cb 0.00 -0.08 0.38 0.00 -0.00 0.00 0.00 39.48 39.79 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 -0.15 0.00 0.80 -5.13 3.20 -0.56 -2.87 116.97 112.25 3phy h TYR 76 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3phy h TYR 76 Cb 0.15 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.43 3phy h TYR 76 CO -0.07 0.05 -0.39 0.78 -1.64 0.00 0.00 178.16 176.90 3phy h GLY 77 N 3.05 -1.12 2.00 1.82 0.00 -1.48 0.63 103.07 107.96 3phy h GLY 77 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3phy h GLY 77 CO 0.01 -0.41 0.00 0.28 0.00 0.00 0.00 176.54 176.42 3phy n LYS 78 N -5.51 0.16 0.07 4.80 4.76 -1.23 -1.80 118.16 119.41 3phy n LYS 78 Ca -0.14 0.48 -0.16 0.00 -2.87 0.00 0.00 58.31 55.62 3phy n LYS 78 Cb 0.43 -1.86 -0.14 0.00 -1.84 0.00 0.00 35.03 31.63 3phy n LYS 78 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3phy h PHE 79 N 0.00 0.42 0.00 2.13 3.04 -1.21 -1.70 116.94 119.62 3phy h PHE 79 Ca 0.00 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.64 3phy h PHE 79 Cb 0.23 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3phy h PHE 79 CO 0.00 1.32 0.00 1.63 -2.02 0.00 0.00 178.31 179.24 3phy n LYS 80 N -3.45 0.10 -0.11 1.11 4.76 0.17 -1.61 118.16 119.13 3phy n LYS 80 Ca -0.14 0.15 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 3phy n LYS 80 Cb 1.03 -1.63 -0.12 0.00 -1.84 0.00 0.00 35.03 32.47 3phy n LYS 80 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3phy n GLU 81 N -1.81 0.66 -0.25 1.97 0.28 -1.06 -3.44 120.64 116.99 3phy n GLU 81 Ca 0.05 0.21 -0.02 0.00 -0.16 0.00 0.00 57.16 57.24 3phy n GLU 81 Cb 0.33 -1.56 0.16 0.00 1.43 0.00 0.00 31.44 31.80 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3phy h GLY 82 N 1.18 1.15 1.07 -1.84 0.00 -1.31 0.44 103.07 103.77 3phy h GLY 82 Ca -0.56 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.16 3phy h GLY 82 CO -0.12 0.50 0.12 -2.08 0.00 0.00 0.00 176.54 174.96 3phy h VAL 83 N 1.08 1.26 -0.04 4.60 2.07 -1.47 -1.19 116.25 122.57 3phy h VAL 83 Ca 0.27 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3phy h VAL 83 Cb 0.05 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3phy h VAL 83 CO -0.04 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.94 3phy n ALA 84 N -2.46 2.54 0.01 1.67 0.00 -0.79 -4.04 120.51 117.44 3phy n ALA 84 Ca 0.04 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 53.02 3phy n ALA 84 Cb 0.29 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 0.50 2.36 -0.03 0.00 2.88 0.15 -4.99 113.62 114.49 3phy n SER 85 Ca 0.18 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3phy n SER 85 Cb 0.42 1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 65.37 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 1.84 0.46 2.34 0.46 0.00 -0.47 -4.92 105.19 104.90 3phy n GLY 86 Ca -0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 3phy n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3phy n ASN 87 N 0.83 0.20 -4.62 1.61 3.02 -1.19 -5.05 115.26 110.05 3phy n ASN 87 Ca -0.00 -3.11 -0.43 0.00 -0.03 0.00 0.00 54.58 51.00 3phy n ASN 87 Cb 0.02 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3phy s LEU 88 N -2.46 3.79 -0.51 3.41 0.20 -1.24 -4.78 118.68 117.08 3phy s LEU 88 Ca 0.35 1.60 0.06 0.00 0.69 0.00 0.00 54.13 56.83 3phy s LEU 88 Cb 0.35 -3.53 0.19 0.00 -0.43 0.00 0.00 46.19 42.77 3phy s LEU 88 CO -0.07 -1.41 0.76 -0.46 -0.29 0.00 0.00 176.35 174.89 3phy n ASN 89 N 9.08 -3.31 -4.57 3.68 0.23 -1.25 -0.51 115.26 118.61 3phy n ASN 89 Ca 0.21 -2.82 -0.26 0.00 -0.53 0.00 0.00 54.58 51.17 3phy n ASN 89 Cb 0.45 1.70 -0.11 0.00 -2.08 0.00 0.00 39.78 39.75 3phy n ASN 89 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3phy s THR 90 N 0.86 2.01 0.04 5.53 -1.32 -0.85 -5.01 115.64 116.90 3phy s THR 90 Ca 0.30 -2.08 -0.21 0.00 -1.21 0.00 0.00 61.69 58.49 3phy s THR 90 Cb 0.02 -2.82 0.04 0.00 -1.51 0.00 0.00 72.50 68.24 3phy s THR 90 CO -0.06 -0.09 0.47 -0.32 -2.21 0.00 0.00 174.62 172.40 3phy s MET 91 N -3.69 0.97 -0.02 7.08 1.75 -1.26 -2.46 119.30 121.67 3phy s MET 91 Ca 0.34 -0.27 -0.29 0.00 -1.25 0.00 0.00 55.69 54.22 3phy s MET 91 Cb 0.07 0.44 0.10 0.00 2.84 0.00 0.00 34.83 38.28 3phy s MET 91 CO 0.17 -0.34 1.30 -0.59 -0.65 0.00 0.00 175.02 174.91 3phy s PHE 92 N -2.36 0.01 -0.50 4.11 -0.71 -1.18 -5.03 117.98 112.33 3phy s PHE 92 Ca -0.06 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.59 3phy s PHE 92 Cb -0.01 0.55 0.12 0.00 -1.21 0.00 0.00 43.02 42.48 3phy s PHE 92 CO -0.01 -0.24 0.41 -2.00 -1.34 0.00 0.00 175.22 172.03 3phy s GLU 93 N -2.07 2.70 0.10 1.99 2.12 -1.26 -2.19 118.70 120.08 3phy s GLU 93 Ca 0.27 -1.73 0.02 0.00 0.36 0.00 0.00 54.97 53.89 3phy s GLU 93 Cb 0.01 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 3phy s GLU 93 CO -0.01 -1.24 0.20 -0.47 -0.54 0.00 0.00 175.26 173.19 3phy s TYR 94 N 1.47 3.41 -0.26 5.30 5.04 -1.12 -4.90 117.35 126.29 3phy s TYR 94 Ca 0.05 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.85 3phy s TYR 94 Cb -0.28 -1.69 0.05 0.00 0.35 0.00 0.00 41.96 40.40 3phy s TYR 94 CO 0.01 0.55 -0.10 0.99 -1.34 0.00 0.00 175.55 175.66 3phy s THR 95 N -1.57 2.31 -0.33 4.34 2.01 -1.26 -1.05 115.64 120.09 3phy s THR 95 Ca 0.33 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.53 3phy s THR 95 Cb -0.12 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.09 3phy s THR 95 CO 0.27 0.02 1.12 -0.36 -0.69 0.00 0.00 174.62 174.97 3phy s PHE 96 N 1.15 3.05 -0.31 4.92 0.08 -0.28 -4.87 117.98 121.72 3phy s PHE 96 Ca -0.07 1.11 0.18 0.00 0.12 0.00 0.00 56.93 58.27 3phy s PHE 96 Cb -0.19 -3.78 0.47 0.00 -0.57 0.00 0.00 43.02 38.95 3phy s PHE 96 CO -0.05 -0.97 1.03 -3.47 -0.10 0.00 0.00 175.22 171.66 3phy n ASP 97 N 7.06 1.90 -1.93 1.36 2.03 -1.26 -3.10 116.55 122.60 3phy n ASP 97 Ca 0.12 -2.61 -0.13 0.00 0.52 0.00 0.00 54.79 52.69 3phy n ASP 97 Cb 0.47 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 3phy n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3phy n TYR 98 N -0.30 0.83 0.00 -0.67 4.11 -1.26 -4.44 117.16 115.44 3phy n TYR 98 Ca 0.12 -1.61 0.00 0.00 -0.00 0.00 0.00 57.90 56.41 3phy n TYR 98 Cb 0.81 -1.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.10 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 1.19 0.00 -4.26 -3.48 10.64 -1.26 -5.06 117.38 115.14 3phy n GLN 99 Ca 0.28 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.29 3phy n GLN 99 Cb 0.62 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.91 3phy n GLN 99 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 3phy s MET 100 N -0.75 1.53 0.97 2.61 1.75 -1.26 -5.13 119.30 119.02 3phy s MET 100 Ca 0.00 -1.86 -0.13 0.00 -1.25 0.00 0.00 55.69 52.45 3phy s MET 100 Cb 0.00 0.23 0.08 0.00 2.84 0.00 0.00 34.83 37.98 3phy s MET 100 CO 0.00 -0.52 0.57 0.25 -0.65 0.00 0.00 175.02 174.67 3phy n THR 101 N -0.49 0.00 -2.35 10.11 -2.24 -1.26 -4.76 114.28 113.29 3phy n THR 101 Ca 0.04 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 3phy n THR 101 Cb 0.64 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.89 3.04 -0.22 -0.78 0.04 -1.26 -4.63 135.00 127.29 3phy s PRO 102 Ca 0.60 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 3phy s PRO 102 Cb -0.21 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.70 3phy s PRO 102 CO 0.65 -2.48 0.08 0.99 0.04 0.00 0.00 177.00 176.28 3phy s THR 103 N 7.05 4.63 0.45 1.26 2.01 -1.18 -4.99 115.64 124.87 3phy s THR 103 Ca 0.50 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 3phy s THR 103 Cb -0.07 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3phy s THR 103 CO 0.09 0.39 0.74 -0.54 -0.69 0.00 0.00 174.62 174.61 3phy s LYS 104 N 0.99 3.53 -0.17 4.92 -0.14 -1.26 -1.12 119.74 126.49 3phy s LYS 104 Ca 0.04 0.10 -0.21 0.00 -1.36 0.00 0.00 55.97 54.53 3phy s LYS 104 Cb -0.14 -2.43 0.06 0.00 -1.68 0.00 0.00 37.83 33.63 3phy s LYS 104 CO 0.03 -0.13 0.57 0.14 -0.76 0.00 0.00 175.35 175.20 3phy s VAL 105 N -2.65 0.01 -0.64 3.17 -7.23 -0.22 -3.00 120.40 109.84 3phy s VAL 105 Ca 0.46 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.31 3phy s VAL 105 Cb -0.10 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.04 3phy s VAL 105 CO 0.43 -0.02 1.28 -0.75 -0.31 0.00 0.00 175.10 175.73 3phy s LYS 106 N -0.08 3.33 0.19 4.82 2.47 -0.65 -2.80 119.74 127.03 3phy s LYS 106 Ca -0.03 0.11 -0.04 0.00 -1.56 0.00 0.00 55.97 54.45 3phy s LYS 106 Cb -0.04 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.18 3phy s LYS 106 CO 0.03 -1.93 0.43 0.14 0.16 0.00 0.00 175.35 174.18 3phy s VAL 107 N 5.54 5.13 -0.28 4.02 -7.23 -0.93 -0.37 120.40 126.28 3phy s VAL 107 Ca 0.42 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.59 3phy s VAL 107 Cb -0.08 -3.67 0.16 0.00 0.56 0.00 0.00 36.38 33.35 3phy s VAL 107 CO 0.21 -0.09 0.45 -2.28 -0.31 0.00 0.00 175.10 173.09 3phy s HIS 108 N -1.80 -1.16 -0.16 2.82 2.46 -0.67 -3.10 115.29 113.68 3phy s HIS 108 Ca 0.42 0.70 -0.06 0.00 0.47 0.00 0.00 55.06 56.58 3phy s HIS 108 Cb -0.12 0.03 -0.04 0.00 -0.13 0.00 0.00 32.58 32.33 3phy s HIS 108 CO 0.26 -0.93 0.04 -1.64 -2.47 0.00 0.00 174.74 170.00 3phy s MET 109 N 2.62 3.78 0.20 2.88 -1.94 -1.03 -1.77 119.30 124.04 3phy s MET 109 Ca 0.12 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 3phy s MET 109 Cb -0.13 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 3phy s MET 109 CO -0.25 0.35 0.07 1.17 -0.01 0.00 0.00 175.02 176.35 3phy n LYS 110 N 3.26 0.78 -3.34 2.03 4.81 0.15 -2.01 118.16 123.84 3phy n LYS 110 Ca -0.17 -1.70 -0.45 0.00 -0.87 0.00 0.00 58.31 55.11 3phy n LYS 110 Cb 0.53 0.91 -0.06 0.00 0.02 0.00 0.00 35.03 36.43 3phy n LYS 110 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3phy s LYS 111 N -2.77 2.99 0.41 1.64 2.20 0.33 -1.51 119.74 123.04 3phy s LYS 111 Ca 0.10 -1.51 -0.26 0.00 -0.36 0.00 0.00 55.97 53.94 3phy s LYS 111 Cb 0.00 -4.21 -0.10 0.00 -1.51 0.00 0.00 37.83 32.01 3phy s LYS 111 CO 0.07 -1.18 1.24 0.00 -0.36 0.00 0.00 175.35 175.11 3phy n ALA 112 N 5.27 1.13 1.16 3.13 0.00 -1.15 -4.79 120.51 125.26 3phy n ALA 112 Ca -0.13 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3phy n ALA 112 Cb 0.42 -2.24 0.29 0.00 0.00 0.00 0.00 19.45 17.92 3phy n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3phy n LEU 113 N 0.32 2.38 0.33 0.00 7.94 -1.26 -2.11 117.00 124.60 3phy n LEU 113 Ca 0.07 -0.82 0.21 0.00 -1.11 0.00 0.00 56.01 54.36 3phy n LEU 113 Cb 0.39 -0.02 1.13 0.00 0.53 0.00 0.00 43.42 45.45 3phy n LEU 113 CO 0.59 0.41 1.17 0.77 -1.11 0.00 0.00 177.39 179.23 3phy h SER 114 N 3.66 0.00 0.00 1.96 4.64 -1.93 -3.39 113.55 118.49 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3phy h SER 114 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3phy h SER 114 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3phy n GLY 115 N -1.13 -0.61 3.35 -0.77 0.00 -1.26 -4.98 105.19 99.79 3phy n GLY 115 Ca -0.03 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3phy n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 116 N 0.00 -6.46 -0.36 1.61 9.92 -1.22 -5.01 116.55 115.03 3phy n ASP 116 Ca 0.00 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 3phy n ASP 116 Cb 0.00 -4.63 0.00 0.00 -0.64 0.00 0.00 41.12 35.85 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3phy n SER 117 N -2.81 1.15 -3.38 -2.24 7.64 -0.90 -4.72 113.62 108.37 3phy n SER 117 Ca -0.07 -0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.55 3phy n SER 117 Cb 0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.14 -0.87 0.10 1.43 2.02 -0.97 -2.92 117.35 117.29 3phy s TYR 118 Ca 0.00 0.98 0.07 0.00 -0.37 0.00 0.00 57.07 57.75 3phy s TYR 118 Cb 0.00 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 3phy s TYR 118 CO 0.00 -0.70 -0.10 1.67 -1.57 0.00 0.00 175.55 174.85 3phy s TRP 119 N 2.57 2.73 -0.26 2.71 1.48 -0.57 -0.68 118.94 126.93 3phy s TRP 119 Ca 0.11 -0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.00 3phy s TRP 119 Cb -0.15 -1.43 0.08 0.00 -1.16 0.00 0.00 33.47 30.80 3phy s TRP 119 CO -0.16 0.42 0.01 0.08 -4.06 0.00 0.00 176.95 173.25 3phy s VAL 120 N -1.21 1.27 -0.14 -0.66 1.01 -0.47 -0.67 120.40 119.53 3phy s VAL 120 Ca 0.21 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 3phy s VAL 120 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3phy s VAL 120 CO 0.13 -0.33 0.49 -0.36 0.00 0.00 0.00 175.10 175.04 3phy s PHE 121 N 1.48 3.47 -0.18 5.22 0.08 -0.73 -2.55 117.98 124.78 3phy s PHE 121 Ca 0.01 0.86 -0.06 0.00 0.12 0.00 0.00 56.93 57.86 3phy s PHE 121 Cb -0.18 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.64 3phy s PHE 121 CO -0.12 0.09 0.02 0.08 -0.10 0.00 0.00 175.22 175.20 3phy s VAL 122 N 0.92 4.41 0.13 -0.44 1.01 -0.38 -1.68 120.40 124.37 3phy s VAL 122 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3phy s VAL 122 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3phy s VAL 122 CO 0.10 0.47 0.23 -0.75 0.00 0.00 0.00 175.10 175.15 3phy s LYS 123 N 0.44 3.31 -0.21 2.72 2.20 0.51 -0.15 119.74 128.55 3phy s LYS 123 Ca 0.00 -0.61 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 3phy s LYS 123 Cb -0.13 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 3phy s LYS 123 CO 0.01 0.54 0.11 0.50 -0.36 0.00 0.00 175.35 176.16 3phy s ARG 124 N -2.98 4.06 0.00 4.03 3.52 -1.19 -1.63 118.95 124.75 3phy s ARG 124 Ca 0.34 -0.29 0.19 0.00 -0.13 0.00 0.00 55.73 55.84 3phy s ARG 124 Cb -0.11 -3.39 0.15 0.00 -1.56 0.00 0.00 34.95 30.04 3phy s ARG 124 CO 0.27 0.19 1.10 0.28 -0.81 0.00 0.00 175.30 176.33