#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy h GLU 2 N 0.00 0.70 -4.22 0.03 4.39 -2.01 -3.49 114.58 109.98 3phy h GLU 2 Ca 0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3phy h GLU 2 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3phy h GLU 2 CO 0.00 1.14 -0.85 1.58 -1.16 0.00 0.00 179.01 179.72 3phy n HIS 3 N -3.93 -4.26 -3.56 4.33 -0.00 -1.26 -5.07 115.22 101.47 3phy n HIS 3 Ca -0.06 2.54 -0.16 0.00 -0.00 0.00 0.00 57.72 60.05 3phy n HIS 3 Cb 0.70 -3.57 -0.06 0.00 -0.00 0.00 0.00 29.99 27.05 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3phy s VAL 4 N -0.50 0.00 0.00 3.57 0.11 -1.26 -5.04 120.40 117.28 3phy s VAL 4 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3phy s VAL 4 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3phy s VAL 4 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 3phy n ALA 5 N 1.47 0.00 0.00 1.54 0.00 -1.26 -3.64 120.51 118.61 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -1.13 -2.09 0.00 3.01 -1.26 -4.68 117.46 111.32 3phy n PHE 6 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 3phy n PHE 6 Cb 0.00 0.23 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.33 0.75 3.77 1.37 0.00 -1.24 -5.11 105.19 103.40 3phy n GLY 7 Ca 0.00 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3phy n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3phy s SER 8 N -0.86 7.23 0.41 1.61 1.04 -1.25 -4.91 113.70 116.98 3phy s SER 8 Ca 0.06 2.05 0.16 0.00 0.48 0.00 0.00 55.95 58.70 3phy s SER 8 Cb 0.07 -2.60 1.04 0.00 0.10 0.00 0.00 66.02 64.63 3phy s SER 8 CO -0.03 -0.15 1.88 -0.08 0.98 0.00 0.00 173.24 175.84 3phy h GLU 9 N 3.41 0.43 0.00 4.02 4.57 -2.00 -3.43 114.58 121.59 3phy h GLU 9 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3phy h GLU 9 Cb 1.21 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3phy h GLU 9 CO 0.66 0.29 0.00 -0.25 -1.18 0.00 0.00 179.01 178.52 3phy n ASP 10 N -4.50 0.00 0.01 1.04 8.00 -1.26 -5.03 116.55 114.81 3phy n ASP 10 Ca 0.17 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.66 3phy n ASP 10 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3phy h ILE 11 N 0.00 0.00 -1.47 0.53 2.04 -1.93 -1.83 117.51 114.85 3phy h ILE 11 Ca 0.00 -0.10 0.47 0.00 1.00 0.00 0.00 64.86 66.23 3phy h ILE 11 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.98 3phy h ILE 11 CO 0.00 0.00 1.00 1.21 0.00 0.00 0.00 178.15 180.36 3phy n GLU 12 N -2.40 -0.02 0.03 2.37 0.00 -1.26 0.12 120.64 119.49 3phy n GLU 12 Ca -0.01 1.07 -0.21 0.00 0.00 0.00 0.00 57.16 58.02 3phy n GLU 12 Cb 0.02 -2.25 -0.14 0.00 0.00 0.00 0.00 31.44 29.06 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3phy h ASN 13 N 0.00 0.43 0.41 4.31 4.21 -1.99 -3.04 115.58 119.91 3phy h ASN 13 Ca 0.82 -0.91 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3phy h ASN 13 Cb 2.92 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 39.98 3phy h ASN 13 CO -0.26 1.48 0.00 0.41 -1.29 0.00 0.00 177.43 177.78 3phy n THR 14 N -4.05 0.89 -0.01 2.81 -1.04 0.33 -1.90 114.28 111.31 3phy n THR 14 Ca -0.18 0.22 0.07 0.00 -2.04 0.00 0.00 64.05 62.12 3phy n THR 14 Cb 0.85 -0.98 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 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 -1.43 0.18 0.03 -4.42 4.77 0.14 -4.02 117.00 112.25 3phy n LEU 15 Ca 0.05 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.18 3phy n LEU 15 Cb 0.15 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3phy n LEU 15 CO 0.12 0.07 -0.43 0.00 -1.33 0.00 0.00 177.39 175.82 3phy n ALA 16 N -2.34 2.51 -3.32 -1.18 0.00 -0.91 -4.61 120.51 110.66 3phy n ALA 16 Ca -0.09 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 3phy n ALA 16 Cb 0.68 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.53 0.90 -3.67 0.00 4.81 -0.80 -5.06 118.16 111.81 3phy n LYS 17 Ca -0.05 -3.49 -0.23 0.00 -0.87 0.00 0.00 58.31 53.68 3phy n LYS 17 Cb 0.63 -1.54 -0.18 0.00 0.02 0.00 0.00 35.03 33.97 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3phy s MET 18 N -1.07 0.09 0.00 1.64 1.75 -1.26 -4.78 119.30 115.68 3phy s MET 18 Ca 0.35 0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.95 3phy s MET 18 Cb 0.12 -1.05 0.00 0.00 2.84 0.00 0.00 34.83 36.74 3phy s MET 18 CO -0.12 -0.45 0.64 -3.47 -0.65 0.00 0.00 175.02 170.97 3phy n ASP 19 N 5.26 0.00 -2.67 1.11 2.03 -1.26 -4.88 116.55 116.15 3phy n ASP 19 Ca -0.05 0.68 -0.03 0.00 0.52 0.00 0.00 54.79 55.91 3phy n ASP 19 Cb 0.50 -0.26 0.10 0.00 -0.72 0.00 0.00 41.12 40.73 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3phy n ASP 20 N -1.28 -1.27 0.00 1.67 2.03 -1.26 -5.01 116.55 111.43 3phy n ASP 20 Ca 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.39 3phy n ASP 20 Cb 0.00 1.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.57 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 0.34 0.00 0.00 0.27 0.00 -1.26 -5.02 105.19 99.52 3phy n GLY 21 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 2.05 -0.00 1.61 7.27 -1.26 -4.82 117.38 122.23 3phy n GLN 22 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.16 3phy n GLN 22 Cb 0.00 -0.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.85 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3phy n LEU 23 N -0.95 0.54 0.21 1.69 -0.00 -1.26 -4.29 117.00 112.94 3phy n LEU 23 Ca 0.00 -0.33 0.15 0.00 -0.00 0.00 0.00 56.01 55.83 3phy n LEU 23 Cb 0.14 0.00 0.63 0.00 -0.00 0.00 0.00 43.42 44.20 3phy n LEU 23 CO 0.00 0.14 0.94 -2.24 -0.00 0.00 0.00 177.39 176.22 3phy h ASP 24 N 0.00 0.00 -0.98 1.45 3.04 -1.96 -2.64 116.42 115.33 3phy h ASP 24 Ca 0.00 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.19 3phy h ASP 24 Cb 0.56 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 38.56 3phy h ASP 24 CO 0.00 0.00 0.73 0.61 -2.04 0.00 0.00 179.24 178.54 3phy n GLY 25 N -0.12 5.33 3.65 7.15 0.00 -1.26 -4.27 105.19 115.68 3phy n GLY 25 Ca 0.01 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.60 4.11 0.19 0.99 1.43 -1.00 -4.93 118.68 115.87 3phy s LEU 26 Ca 0.61 0.13 0.14 0.00 -1.03 0.00 0.00 54.13 53.98 3phy s LEU 26 Cb 0.49 -2.13 0.73 0.00 0.03 0.00 0.00 46.19 45.31 3phy s LEU 26 CO 0.04 0.05 1.43 0.00 0.23 0.00 0.00 176.35 178.09 3phy n ALA 27 N 4.37 1.10 -3.83 4.21 0.00 -1.26 -4.61 120.51 120.49 3phy n ALA 27 Ca -0.14 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 3phy n ALA 27 Cb 0.52 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 3phy n ALA 27 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3phy n PHE 28 N -1.96 -0.67 -5.06 0.00 1.16 -1.26 -3.35 117.46 106.33 3phy n PHE 28 Ca -0.00 -0.60 -0.29 0.00 -1.87 0.00 0.00 57.45 54.69 3phy n PHE 28 Cb 0.04 -0.10 -0.16 0.00 -1.61 0.00 0.00 39.48 37.65 3phy n PHE 28 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3phy s GLY 29 N -2.00 1.11 -0.29 4.97 0.00 -0.04 -4.00 107.32 107.06 3phy s GLY 29 Ca 0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 3phy s GLY 29 CO 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 173.10 172.58 3phy s ALA 30 N -0.15 2.83 -0.02 3.20 0.00 -1.15 -2.11 121.76 124.36 3phy s ALA 30 Ca -0.01 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.34 3phy s ALA 30 Cb -0.12 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3phy s ALA 30 CO 0.02 -1.17 -0.25 0.96 0.00 0.00 0.00 175.76 175.32 3phy s ILE 31 N 1.30 1.97 0.43 0.00 -5.25 -1.17 -3.18 121.20 115.30 3phy s ILE 31 Ca -0.03 -1.08 0.08 0.00 -0.99 0.00 0.00 60.65 58.62 3phy s ILE 31 Cb -0.19 -1.64 -0.02 0.00 2.95 0.00 0.00 42.46 43.56 3phy s ILE 31 CO -0.01 0.54 0.38 -1.10 -1.79 0.00 0.00 174.94 172.96 3phy s GLN 32 N -0.63 2.50 -0.12 0.37 -0.21 -0.84 -1.28 119.66 119.46 3phy s GLN 32 Ca 0.10 -1.58 -0.15 0.00 0.02 0.00 0.00 55.36 53.75 3phy s GLN 32 Cb -0.10 -2.35 0.04 0.00 1.00 0.00 0.00 33.01 31.60 3phy s GLN 32 CO -0.01 -0.22 0.40 -0.51 -2.12 0.00 0.00 175.29 172.83 3phy s LEU 33 N -4.14 0.47 -0.06 2.90 1.43 0.38 -2.39 118.68 117.26 3phy s LEU 33 Ca 0.47 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 3phy s LEU 33 Cb -0.03 1.44 -0.02 0.00 0.03 0.00 0.00 46.19 47.61 3phy s LEU 33 CO 0.27 -0.24 -0.16 -1.81 0.23 0.00 0.00 176.35 174.65 3phy s ASP 34 N -0.21 3.86 0.00 2.29 1.01 -0.59 -2.12 116.67 120.91 3phy s ASP 34 Ca -0.04 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.95 3phy s ASP 34 Cb -0.03 -0.97 0.00 0.00 1.01 0.00 0.00 42.92 42.93 3phy s ASP 34 CO 0.02 0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.31 3phy n GLY 35 N 2.63 0.00 0.00 0.21 0.00 -1.26 -1.53 105.19 105.25 3phy n GLY 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 0.00 1.61 8.00 -1.26 -4.91 116.55 119.99 3phy n ASP 36 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.00 1.00 3.71 0.44 0.00 -0.58 -4.89 105.19 104.87 3phy n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3phy n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s ASN 38 N -2.00 7.06 0.31 1.61 4.22 -1.20 -2.27 114.94 122.67 3phy s ASN 38 Ca 0.00 1.28 -0.29 0.00 -2.14 0.00 0.00 52.86 51.71 3phy s ASN 38 Cb 0.00 -2.45 -0.11 0.00 1.28 0.00 0.00 41.25 39.97 3phy s ASN 38 CO 0.00 -0.19 1.46 -0.63 -2.04 0.00 0.00 177.10 175.71 3phy s ILE 39 N 1.04 2.37 -0.10 0.54 1.09 -1.16 -1.55 121.20 123.43 3phy s ILE 39 Ca 0.41 0.34 0.11 0.00 -1.10 0.00 0.00 60.65 60.40 3phy s ILE 39 Cb -0.18 -3.21 -0.15 0.00 -1.06 0.00 0.00 42.46 37.85 3phy s ILE 39 CO 0.19 0.07 0.08 0.18 -0.10 0.00 0.00 174.94 175.36 3phy n LEU 40 N 1.52 0.00 -3.63 2.97 4.77 -1.01 -3.87 117.00 117.76 3phy n LEU 40 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3phy n LEU 40 Cb 0.40 0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3phy n LEU 40 CO 0.62 0.25 0.22 -1.58 -1.33 0.00 0.00 177.39 175.57 3phy s GLN 41 N -2.38 1.17 0.00 3.23 -0.44 -1.26 -4.90 119.66 115.08 3phy s GLN 41 Ca -0.06 -0.71 0.00 0.00 -2.50 0.00 0.00 55.36 52.09 3phy s GLN 41 Cb 0.04 0.50 0.00 0.00 -1.64 0.00 0.00 33.01 31.91 3phy s GLN 41 CO 0.49 -0.48 0.00 0.98 0.50 0.00 0.00 175.29 176.79 3phy n TYR 42 N -0.28 -0.76 0.00 1.67 9.36 -1.19 -1.98 117.16 123.98 3phy n TYR 42 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 3phy n TYR 42 Cb 0.64 0.33 0.00 0.00 -0.63 0.00 0.00 39.34 39.68 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 -2.00 0.00 -0.04 2.98 6.94 -1.26 -2.96 115.26 118.93 3phy n ASN 43 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 3phy n ASN 43 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 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 0.19 2.00 0.09 -2.53 0.00 -1.26 -4.16 120.51 114.84 3phy n ALA 44 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.46 3phy n ALA 44 Cb 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 1.41 -0.86 0.28 0.00 0.00 -1.82 0.41 119.26 118.68 3phy h ALA 45 Ca -0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3phy h ALA 45 Cb 1.70 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 20.18 3phy h ALA 45 CO 0.03 -0.94 -0.25 1.05 0.00 0.00 0.00 179.25 179.14 3phy h GLU 46 N -0.50 -0.53 0.00 0.00 4.11 -1.81 -0.39 114.58 115.45 3phy h GLU 46 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3phy h GLU 46 Cb 0.49 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3phy h GLU 46 CO -0.16 -0.35 0.06 0.41 0.07 0.00 0.00 179.01 179.04 3phy n GLY 47 N -1.37 -0.82 0.12 1.06 0.00 -1.14 -1.20 105.19 101.84 3phy n GLY 47 Ca -0.09 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.43 0.04 1.61 3.32 0.16 0.26 116.42 122.24 3phy h ASP 48 Ca 0.00 -0.42 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 3phy h ASP 48 Cb 0.12 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3phy h ASP 48 CO 0.00 1.28 -1.06 0.40 -1.72 0.00 0.00 179.24 178.15 3phy h ILE 49 N 0.12 1.13 0.03 0.35 5.03 -1.02 -3.39 117.51 119.76 3phy h ILE 49 Ca -0.11 -2.28 -0.28 0.00 -0.12 0.00 0.00 64.86 62.07 3phy h ILE 49 Cb 1.82 2.62 -0.03 0.00 -3.03 0.00 0.00 36.82 38.20 3phy h ILE 49 CO 0.19 0.50 -1.52 0.71 -0.68 0.00 0.00 178.15 177.35 3phy h THR 50 N -0.77 1.11 0.00 -0.27 1.35 -1.49 -3.48 112.91 109.36 3phy h THR 50 Ca -0.26 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.72 3phy h THR 50 Cb 1.39 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 3phy h THR 50 CO -0.08 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 3phy n GLY 51 N 1.56 0.35 0.33 5.82 0.00 0.91 -4.98 105.19 109.18 3phy n GLY 51 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3phy n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3phy h ARG 52 N 4.56 0.02 -2.74 1.61 3.08 -1.82 -3.47 114.38 115.63 3phy h ARG 52 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3phy h ARG 52 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3phy h ARG 52 CO 0.00 0.02 -0.70 -3.47 -1.07 0.00 0.00 179.97 174.75 3phy n ASP 53 N -5.50 -6.36 -0.01 7.04 2.03 -1.26 -3.71 116.55 108.78 3phy n ASP 53 Ca 0.18 1.20 -0.01 0.00 0.52 0.00 0.00 54.79 56.68 3phy n ASP 53 Cb 0.60 -3.39 -0.00 0.00 -0.72 0.00 0.00 41.12 37.60 3phy n ASP 53 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3phy h PRO 54 N 0.55 -0.05 -0.08 -0.67 0.13 -1.92 -2.70 132.00 127.26 3phy h PRO 54 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3phy h PRO 54 Cb 0.43 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 3phy h PRO 54 CO 0.00 -0.03 0.26 1.57 -0.23 0.00 0.00 178.00 179.56 3phy h LYS 55 N -0.64 0.00 0.14 0.86 2.10 -1.96 -0.50 116.57 116.58 3phy h LYS 55 Ca -0.01 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.30 3phy h LYS 55 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3phy h LYS 55 CO 0.01 0.00 -1.79 0.37 -2.00 0.00 0.00 179.45 176.03 3phy h GLN 56 N 0.00 0.29 -0.03 0.07 4.15 -1.79 -3.31 115.11 114.49 3phy h GLN 56 Ca 0.04 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.96 3phy h GLN 56 Cb 0.55 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3phy h GLN 56 CO -0.00 1.24 0.00 1.33 -1.93 0.00 0.00 178.83 179.47 3phy n VAL 57 N -3.64 0.03 -2.24 2.39 0.24 -0.68 -4.67 118.33 109.77 3phy n VAL 57 Ca -0.29 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.53 3phy n VAL 57 Cb 1.02 -0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.97 3.93 0.00 1.34 1.01 -0.28 -1.80 121.20 123.44 3phy s ILE 58 Ca 0.32 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3phy s ILE 58 Cb 0.15 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3phy s ILE 58 CO 0.25 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3phy n GLY 59 N 3.81 1.77 3.76 6.18 0.00 -1.25 -4.99 105.19 114.47 3phy n GLY 59 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.49 4.75 -0.92 1.61 -0.14 -0.74 -4.77 119.74 119.04 3phy s LYS 60 Ca 0.00 1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 55.78 3phy s LYS 60 Cb 0.00 -3.13 0.06 0.00 -1.68 0.00 0.00 37.83 33.08 3phy s LYS 60 CO 0.00 0.45 1.34 -0.80 -0.76 0.00 0.00 175.35 175.58 3phy s ASN 61 N -1.32 6.41 0.64 2.83 0.02 -1.26 -3.01 114.94 119.25 3phy s ASN 61 Ca 0.43 -1.25 0.30 0.00 -1.02 0.00 0.00 52.86 51.33 3phy s ASN 61 Cb -0.23 -2.54 1.65 0.00 0.02 0.00 0.00 41.25 40.15 3phy s ASN 61 CO 0.29 -1.53 1.97 0.15 0.02 0.00 0.00 177.10 178.00 3phy h PHE 62 N 9.73 0.00 0.03 2.20 3.57 -1.81 1.31 116.94 131.97 3phy h PHE 62 Ca 0.05 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.28 3phy h PHE 62 Cb 1.02 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3phy h PHE 62 CO 1.21 0.00 -1.46 0.74 -2.23 0.00 0.00 178.31 176.57 3phy h PHE 63 N 0.00 0.10 -0.66 0.41 0.04 -1.82 -2.78 116.94 112.23 3phy h PHE 63 Ca 0.07 -0.08 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 3phy h PHE 63 Cb 0.72 -0.00 -0.35 0.00 2.20 0.00 0.00 35.95 38.52 3phy h PHE 63 CO 0.00 1.10 -0.99 0.36 -0.60 0.00 0.00 178.31 178.18 3phy n LYS 64 N -3.23 1.28 0.00 1.51 2.85 -0.13 -3.90 118.16 116.54 3phy n LYS 64 Ca -0.12 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.19 3phy n LYS 64 Cb 1.01 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3phy n ASP 65 N -0.34 0.00 -0.06 -5.58 -0.08 0.43 -4.78 116.55 106.14 3phy n ASP 65 Ca 0.05 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.23 3phy n ASP 65 Cb 0.82 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.25 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 -0.70 1.29 -3.48 5.18 0.31 -0.62 -4.83 118.33 115.47 3phy n VAL 66 Ca 0.00 0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.99 3phy n VAL 66 Cb 0.00 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 30.87 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 -2.52 3.46 -1.96 3.52 0.00 -1.05 -4.91 121.76 118.30 3phy s ALA 67 Ca -0.21 -2.44 0.25 0.00 0.00 0.00 0.00 51.96 49.57 3phy s ALA 67 Cb 0.05 -2.94 1.51 0.00 0.00 0.00 0.00 23.12 21.74 3phy s ALA 67 CO 0.29 -1.88 1.88 -0.35 0.00 0.00 0.00 175.76 175.70 3phy n PRO 68 N 5.03 0.77 -0.04 0.00 -0.04 -1.26 -2.89 135.00 136.57 3phy n PRO 68 Ca -0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 3phy n PRO 68 Cb 0.41 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.40 0.04 -1.58 0.00 -2.24 -1.14 -4.05 114.28 102.92 3phy n THR 70 Ca -0.13 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 3phy n THR 70 Cb 0.74 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.56 6.70 -4.69 3.42 2.03 -1.25 -1.49 116.55 120.69 3phy n ASP 71 Ca 0.15 -3.24 -0.33 0.00 0.52 0.00 0.00 54.79 51.90 3phy n ASP 71 Cb 0.12 -1.24 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3phy s SER 72 N 0.27 4.01 0.00 1.67 0.01 -1.26 -4.90 113.70 113.50 3phy s SER 72 Ca 0.58 -1.68 0.28 0.00 1.31 0.00 0.00 55.95 56.44 3phy s SER 72 Cb 0.36 0.59 1.42 0.00 0.21 0.00 0.00 66.02 68.60 3phy s SER 72 CO -0.22 -0.89 1.98 -0.81 0.41 0.00 0.00 173.24 173.70 3phy n PRO 73 N -1.25 0.37 -0.04 12.44 -0.04 -1.26 -0.57 135.00 144.65 3phy n PRO 73 Ca -0.19 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 3phy n PRO 73 Cb 0.67 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.30 0.83 0.00 0.54 -0.58 -1.26 -3.51 120.64 115.36 3phy n GLU 74 Ca 0.13 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3phy n GLU 74 Cb 0.24 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3phy n PHE 75 N -2.34 0.00 0.28 -0.32 -0.00 -1.21 -4.18 117.46 109.68 3phy n PHE 75 Ca -0.13 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.48 3phy n PHE 75 Cb 0.72 0.00 0.60 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 0.72 -5.13 3.20 -0.48 -2.88 116.97 112.39 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 0.00 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 -0.34 0.78 -1.64 0.00 0.00 178.16 176.96 3phy h GLY 77 N 2.39 -1.00 2.00 1.82 0.00 -0.90 -0.31 103.07 107.07 3phy h GLY 77 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3phy h GLY 77 CO 0.00 -0.36 0.00 0.50 0.00 0.00 0.00 176.54 176.68 3phy h LYS 78 N -1.11 0.00 0.17 4.80 1.79 -1.59 -0.87 116.57 119.75 3phy h LYS 78 Ca -0.10 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.07 3phy h LYS 78 Cb 0.74 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.42 3phy h LYS 78 CO 0.16 0.00 -1.28 0.35 -1.08 0.00 0.00 179.45 177.60 3phy h PHE 79 N 0.00 0.97 0.00 -1.35 3.04 -1.23 -0.92 116.94 117.44 3phy h PHE 79 Ca 0.00 -0.65 0.00 0.00 3.98 0.00 0.00 57.97 61.30 3phy h PHE 79 Cb 0.12 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.57 3phy h PHE 79 CO 0.00 1.49 0.00 1.63 -2.02 0.00 0.00 178.31 179.41 3phy n LYS 80 N -3.81 0.27 -0.07 1.11 5.02 -0.16 -1.60 118.16 118.92 3phy n LYS 80 Ca -0.15 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3phy n LYS 80 Cb 1.01 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.35 0.70 -0.08 1.97 -0.58 -0.68 -3.43 120.64 117.18 3phy n GLU 81 Ca 0.11 0.20 -0.14 0.00 -0.42 0.00 0.00 57.16 56.91 3phy n GLU 81 Cb 0.24 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.71 0.70 1.05 0.62 0.00 -1.11 0.48 103.07 106.52 3phy h GLY 82 Ca -0.51 -0.75 0.05 0.00 0.00 0.00 0.00 47.33 46.12 3phy h GLY 82 CO -0.01 0.68 0.51 -2.08 0.00 0.00 0.00 176.54 175.64 3phy h VAL 83 N 0.36 1.09 -0.01 4.60 2.07 -1.48 -1.13 116.25 121.73 3phy h VAL 83 Ca 0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3phy h VAL 83 Cb 0.88 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3phy h VAL 83 CO 0.07 0.17 -0.32 0.00 0.02 0.00 0.00 177.57 177.51 3phy n ALA 84 N -2.42 3.22 0.17 1.67 0.00 -1.08 -4.12 120.51 117.93 3phy n ALA 84 Ca 0.11 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.12 3phy n ALA 84 Cb 0.16 -0.97 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 3phy n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3phy n SER 85 N -0.18 0.25 -0.01 0.00 7.64 0.16 -4.97 113.62 116.51 3phy n SER 85 Ca 0.11 -0.18 -0.00 0.00 1.01 0.00 0.00 58.87 59.82 3phy n SER 85 Cb 0.42 1.81 -0.00 0.00 -1.01 0.00 0.00 64.21 65.42 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 86 N 1.32 0.43 2.68 0.23 0.00 -0.53 -4.92 105.19 104.40 3phy n GLY 86 Ca -0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 1.23 -2.21 -4.62 1.61 2.85 -1.21 -5.09 115.26 107.83 3phy n ASN 87 Ca -0.00 -3.50 -0.43 0.00 -0.11 0.00 0.00 54.58 50.54 3phy n ASN 87 Cb 0.01 1.63 -0.03 0.00 1.24 0.00 0.00 39.78 42.63 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3phy s LEU 88 N -1.76 3.72 -0.46 1.20 0.20 -1.25 -4.82 118.68 115.51 3phy s LEU 88 Ca 0.27 1.73 0.07 0.00 0.69 0.00 0.00 54.13 56.89 3phy s LEU 88 Cb 0.27 -3.52 0.19 0.00 -0.43 0.00 0.00 46.19 42.69 3phy s LEU 88 CO -0.12 -1.57 0.70 0.54 -0.29 0.00 0.00 176.35 175.62 3phy s ASN 89 N 5.96 -1.44 0.03 3.68 2.20 -1.26 -0.24 114.94 123.87 3phy s ASN 89 Ca 0.84 -1.20 0.03 0.00 -0.94 0.00 0.00 52.86 51.59 3phy s ASN 89 Cb -0.29 1.86 -0.02 0.00 -2.00 0.00 0.00 41.25 40.81 3phy s ASN 89 CO 0.34 -0.11 -0.10 0.28 -2.94 0.00 0.00 177.10 174.57 3phy s THR 90 N 1.37 0.78 0.09 0.54 -1.32 -0.97 -5.03 115.64 111.11 3phy s THR 90 Ca 0.23 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.96 3phy s THR 90 Cb -0.02 -0.72 -0.03 0.00 -1.51 0.00 0.00 72.50 70.22 3phy s THR 90 CO -0.06 -0.04 -0.11 0.00 -2.21 0.00 0.00 174.62 172.20 3phy s MET 91 N -0.93 0.84 0.06 7.08 0.23 -1.26 -2.01 119.30 123.31 3phy s MET 91 Ca -0.01 -1.13 -0.07 0.00 -1.03 0.00 0.00 55.69 53.45 3phy s MET 91 Cb -0.07 -0.57 0.03 0.00 -1.53 0.00 0.00 34.83 32.69 3phy s MET 91 CO 0.01 0.09 0.35 1.97 -2.03 0.00 0.00 175.02 175.41 3phy n PHE 92 N 0.65 -0.79 -3.85 3.16 -1.74 -1.07 -5.00 117.46 108.82 3phy n PHE 92 Ca -0.17 -0.41 -0.36 0.00 -0.56 0.00 0.00 57.45 55.95 3phy n PHE 92 Cb 0.57 0.20 -0.13 0.00 1.52 0.00 0.00 39.48 41.64 3phy n PHE 92 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3phy s GLU 93 N -2.02 2.54 0.45 3.97 2.02 -1.26 -1.85 118.70 122.55 3phy s GLU 93 Ca 0.08 -1.21 0.06 0.00 0.02 0.00 0.00 54.97 53.92 3phy s GLU 93 Cb -0.01 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3phy s GLU 93 CO 0.02 -0.62 0.14 -0.47 0.02 0.00 0.00 175.26 174.34 3phy s TYR 94 N 1.32 2.32 -0.17 1.61 5.04 -1.13 -5.00 117.35 121.33 3phy s TYR 94 Ca -0.03 -0.71 -0.04 0.00 -2.44 0.00 0.00 57.07 53.84 3phy s TYR 94 Cb -0.19 -1.85 0.08 0.00 0.35 0.00 0.00 41.96 40.34 3phy s TYR 94 CO 0.00 0.17 0.17 0.99 -1.34 0.00 0.00 175.55 175.55 3phy s THR 95 N -2.70 -0.25 -0.30 4.34 2.01 -1.26 -2.07 115.64 115.41 3phy s THR 95 Ca 0.32 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 3phy s THR 95 Cb 0.04 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.97 3phy s THR 95 CO 0.18 -0.17 0.91 -0.36 -0.69 0.00 0.00 174.62 174.49 3phy s PHE 96 N 2.27 3.19 -0.33 4.92 0.08 0.80 -4.82 117.98 124.09 3phy s PHE 96 Ca 0.05 1.00 0.16 0.00 0.12 0.00 0.00 56.93 58.26 3phy s PHE 96 Cb -0.15 -3.39 0.45 0.00 -0.57 0.00 0.00 43.02 39.36 3phy s PHE 96 CO -0.10 -0.63 1.15 -3.47 -0.10 0.00 0.00 175.22 172.07 3phy n ASP 97 N 6.44 0.32 -4.74 1.36 2.03 -1.26 -1.17 116.55 119.54 3phy n ASP 97 Ca 0.07 -2.46 -0.41 0.00 0.52 0.00 0.00 54.79 52.51 3phy n ASP 97 Cb 0.48 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.82 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3phy s TYR 98 N -2.08 3.81 0.00 -0.67 -0.85 -1.26 -4.44 117.35 111.86 3phy s TYR 98 Ca 0.24 1.79 0.00 0.00 -0.52 0.00 0.00 57.07 58.58 3phy s TYR 98 Cb 0.42 -3.10 0.00 0.00 0.38 0.00 0.00 41.96 39.66 3phy s TYR 98 CO -0.03 0.06 0.00 0.00 -1.52 0.00 0.00 175.55 174.06 3phy n GLN 99 N 2.14 -0.03 0.00 -3.49 10.64 -1.26 -4.20 117.38 121.19 3phy n GLN 99 Ca 0.01 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 3phy n GLN 99 Cb 0.47 0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.88 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 3phy n MET 100 N -0.05 0.00 -3.82 2.61 1.56 -1.26 -5.17 117.12 110.98 3phy n MET 100 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.34 3phy n MET 100 Cb 0.00 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.31 3phy n MET 100 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3phy s THR 101 N 0.35 0.10 -0.31 1.12 -4.23 -1.26 -5.12 115.64 106.30 3phy s THR 101 Ca 0.00 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.16 3phy s THR 101 Cb 0.00 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.42 3phy s THR 101 CO 0.00 -0.46 1.24 -2.16 -0.54 0.00 0.00 174.62 172.70 3phy s PRO 102 N -3.87 3.96 -0.10 3.99 0.04 -1.26 -4.08 135.00 133.67 3phy s PRO 102 Ca 0.08 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.34 3phy s PRO 102 Cb 0.03 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.74 3phy s PRO 102 CO -0.08 -1.06 -0.18 0.99 0.04 0.00 0.00 177.00 176.70 3phy s THR 103 N 4.17 1.68 -0.03 1.26 2.01 -0.32 -5.00 115.64 119.41 3phy s THR 103 Ca 0.53 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3phy s THR 103 Cb -0.15 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3phy s THR 103 CO 0.21 0.48 0.05 -0.75 -0.69 0.00 0.00 174.62 173.92 3phy s LYS 104 N 0.66 3.01 -0.14 4.92 2.47 -1.26 -0.14 119.74 129.25 3phy s LYS 104 Ca -0.13 -0.47 -0.17 0.00 -1.56 0.00 0.00 55.97 53.64 3phy s LYS 104 Cb -0.16 -2.83 0.04 0.00 -1.46 0.00 0.00 37.83 33.43 3phy s LYS 104 CO 0.03 0.66 0.45 0.14 0.16 0.00 0.00 175.35 176.80 3phy s VAL 105 N -1.09 0.01 -0.33 4.02 -7.23 -0.88 -2.06 120.40 112.84 3phy s VAL 105 Ca 0.19 -0.06 -0.26 0.00 -1.81 0.00 0.00 61.98 60.04 3phy s VAL 105 Cb -0.12 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.17 3phy s VAL 105 CO 0.10 -0.04 0.94 -1.59 -0.31 0.00 0.00 175.10 174.20 3phy s LYS 106 N -0.06 3.96 0.19 4.82 0.00 -0.54 -2.85 119.74 125.26 3phy s LYS 106 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 55.97 56.72 3phy s LYS 106 Cb -0.03 -3.76 -0.04 0.00 0.00 0.00 0.00 37.83 34.00 3phy s LYS 106 CO 0.02 -0.85 0.34 0.14 0.00 0.00 0.00 175.35 175.00 3phy s VAL 107 N 3.37 5.27 -0.29 1.79 -7.23 -0.77 -2.03 120.40 120.50 3phy s VAL 107 Ca 0.39 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 3phy s VAL 107 Cb -0.13 -3.77 0.20 0.00 0.56 0.00 0.00 36.38 33.24 3phy s VAL 107 CO 0.16 -0.19 0.59 -2.28 -0.31 0.00 0.00 175.10 173.07 3phy s HIS 108 N -1.86 -1.75 0.02 2.82 5.04 -0.55 -2.61 115.29 116.39 3phy s HIS 108 Ca 0.36 1.37 0.03 0.00 -1.54 0.00 0.00 55.06 55.28 3phy s HIS 108 Cb -0.10 0.43 -0.04 0.00 0.04 0.00 0.00 32.58 32.91 3phy s HIS 108 CO 0.29 -1.00 -0.05 -1.64 -2.34 0.00 0.00 174.74 170.01 3phy s MET 109 N 2.84 2.56 0.27 2.88 1.00 -0.85 -1.59 119.30 126.42 3phy s MET 109 Ca 0.15 -0.74 0.05 0.00 0.00 0.00 0.00 55.69 55.15 3phy s MET 109 Cb -0.12 -2.52 -0.02 0.00 0.00 0.00 0.00 34.83 32.17 3phy s MET 109 CO -0.24 0.59 0.20 1.17 0.00 0.00 0.00 175.02 176.74 3phy n LYS 110 N 1.33 0.39 -2.97 2.03 4.81 -0.03 -2.29 118.16 121.42 3phy n LYS 110 Ca -0.14 -2.63 -0.44 0.00 -0.87 0.00 0.00 58.31 54.23 3phy n LYS 110 Cb 0.52 2.00 -0.04 0.00 0.02 0.00 0.00 35.03 37.53 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 -3.09 3.08 -0.14 1.64 2.20 0.66 -1.64 119.74 122.45 3phy s LYS 111 Ca 0.28 -1.06 -0.39 0.00 -0.36 0.00 0.00 55.97 54.44 3phy s LYS 111 Cb 0.01 -4.25 -0.16 0.00 -1.51 0.00 0.00 37.83 31.92 3phy s LYS 111 CO 0.20 -1.70 1.59 0.00 -0.36 0.00 0.00 175.35 175.08 3phy n ALA 112 N 7.09 -0.50 0.35 3.13 0.00 0.29 -4.71 120.51 126.16 3phy n ALA 112 Ca -0.06 0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3phy n ALA 112 Cb 0.44 -2.17 0.17 0.00 0.00 0.00 0.00 19.45 17.89 3phy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3phy h LEU 113 N 6.20 0.00 -2.01 0.00 3.38 -1.93 0.20 115.31 121.15 3phy h LEU 113 Ca -0.47 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 57.59 3phy h LEU 113 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3phy h LEU 113 CO 0.89 0.02 0.42 0.28 0.09 0.00 0.00 178.44 180.15 3phy h SER 114 N 0.00 0.00 0.00 -0.43 0.02 -1.92 -3.28 113.55 107.93 3phy h SER 114 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3phy h SER 114 Cb 0.89 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.34 3phy h SER 114 CO 0.00 0.00 -0.20 0.61 -1.14 0.00 0.00 176.83 176.10 3phy n GLY 115 N -1.55 0.49 2.93 -3.77 0.00 -1.24 -4.96 105.19 97.08 3phy n GLY 115 Ca 0.09 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.35 -5.44 -2.22 1.61 -0.08 0.43 -4.97 116.55 105.53 3phy n ASP 116 Ca -0.17 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 3phy n ASP 116 Cb 0.63 -4.45 0.00 0.00 2.34 0.00 0.00 41.12 39.64 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3phy n SER 117 N -2.33 0.00 -3.64 1.67 7.64 0.42 -4.74 113.62 112.64 3phy n SER 117 Ca -0.12 -0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.19 3phy n SER 117 Cb 0.62 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.12 0.21 -0.02 1.43 2.02 -0.90 -0.55 117.35 119.67 3phy s TYR 118 Ca 0.00 -0.16 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 3phy s TYR 118 Cb 0.00 -0.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 3phy s TYR 118 CO 0.00 -0.41 -0.16 1.67 -1.57 0.00 0.00 175.55 175.08 3phy s TRP 119 N 2.13 2.64 -0.25 2.71 1.48 -0.65 -0.47 118.94 126.53 3phy s TRP 119 Ca 0.03 -0.20 -0.03 0.00 -1.06 0.00 0.00 56.10 54.84 3phy s TRP 119 Cb -0.15 -1.57 0.02 0.00 -1.16 0.00 0.00 33.47 30.61 3phy s TRP 119 CO -0.07 0.20 -0.05 0.08 -4.06 0.00 0.00 176.95 173.05 3phy s VAL 120 N -0.79 3.06 -0.21 -0.66 1.01 -0.40 -0.85 120.40 121.55 3phy s VAL 120 Ca 0.13 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3phy s VAL 120 Cb -0.11 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3phy s VAL 120 CO 0.02 0.24 0.18 -0.36 0.00 0.00 0.00 175.10 175.19 3phy s PHE 121 N 1.37 3.38 -0.26 5.22 0.08 -0.62 -3.02 117.98 124.13 3phy s PHE 121 Ca 0.02 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 3phy s PHE 121 Cb -0.16 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 3phy s PHE 121 CO -0.04 0.17 -0.06 0.08 -0.10 0.00 0.00 175.22 175.27 3phy s VAL 122 N 0.73 2.72 -0.26 -0.44 1.01 -0.90 -1.49 120.40 121.77 3phy s VAL 122 Ca 0.10 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 3phy s VAL 122 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3phy s VAL 122 CO 0.02 0.09 0.33 -0.75 0.00 0.00 0.00 175.10 174.79 3phy s LYS 123 N 1.26 4.02 -0.01 2.72 2.20 -0.86 -0.86 119.74 128.21 3phy s LYS 123 Ca -0.03 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 3phy s LYS 123 Cb -0.18 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.44 3phy s LYS 123 CO -0.04 -0.22 1.69 0.50 -0.36 0.00 0.00 175.35 176.92 3phy s ARG 124 N 1.89 4.18 0.00 4.03 3.52 -1.21 -1.47 118.95 129.89 3phy s ARG 124 Ca 0.13 2.27 0.30 0.00 -0.13 0.00 0.00 55.73 58.31 3phy s ARG 124 Cb -0.16 -3.91 1.54 0.00 -1.56 0.00 0.00 34.95 30.87 3phy s ARG 124 CO 0.10 -0.83 2.02 0.28 -0.81 0.00 0.00 175.30 176.06