#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy s GLU 2 N 0.00 4.29 -0.17 0.03 2.56 -1.26 -5.01 118.70 119.14 3phy s GLU 2 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 54.97 55.81 3phy s GLU 2 Cb 0.00 -2.37 -0.01 0.00 2.00 0.00 0.00 34.13 33.75 3phy s GLU 2 CO 0.00 0.07 0.91 -1.58 -0.56 0.00 0.00 175.26 174.10 3phy s HIS 3 N -2.01 3.42 -0.30 5.30 5.65 -1.26 -4.78 115.29 121.31 3phy s HIS 3 Ca 0.58 1.36 -0.18 0.00 0.25 0.00 0.00 55.06 57.07 3phy s HIS 3 Cb -0.12 -3.10 0.19 0.00 -1.18 0.00 0.00 32.58 28.38 3phy s HIS 3 CO 0.16 -0.29 1.24 0.54 -0.65 0.00 0.00 174.74 175.74 3phy s VAL 4 N 2.34 -0.11 0.00 0.89 0.11 -1.26 -4.94 120.40 117.43 3phy s VAL 4 Ca 0.41 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3phy s VAL 4 Cb -0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3phy s VAL 4 CO 0.12 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.89 3phy n ALA 5 N 4.42 0.00 -2.60 1.54 0.00 -1.26 -2.58 120.51 120.02 3phy n ALA 5 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 3phy n ALA 5 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 3phy n ALA 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3phy n PHE 6 N 0.00 -0.46 0.00 0.00 1.16 -1.26 -4.84 117.46 112.07 3phy n PHE 6 Ca 0.00 -0.59 0.00 0.00 -1.87 0.00 0.00 57.45 54.99 3phy n PHE 6 Cb 0.00 1.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.87 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3phy n GLY 7 N -0.43 1.46 0.00 4.97 0.00 -1.09 -5.10 105.19 105.01 3phy n GLY 7 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3phy n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3phy n SER 8 N 0.00 0.47 -3.30 1.61 7.64 -1.07 -4.98 113.62 113.99 3phy n SER 8 Ca 0.00 -0.67 -0.30 0.00 1.01 0.00 0.00 58.87 58.91 3phy n SER 8 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3phy n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3phy n GLU 9 N -0.51 3.35 -2.89 1.43 1.02 -1.26 -4.88 120.64 116.90 3phy n GLU 9 Ca 0.00 -4.75 -0.00 0.00 -0.02 0.00 0.00 57.16 52.39 3phy n GLU 9 Cb 0.00 -2.30 -0.00 0.00 -0.02 0.00 0.00 31.44 29.12 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3phy n ASP 10 N 0.33 -7.40 -0.00 1.62 8.00 -1.26 -4.75 116.55 113.08 3phy n ASP 10 Ca 0.32 1.07 -0.00 0.00 0.71 0.00 0.00 54.79 56.89 3phy n ASP 10 Cb 0.38 -3.98 -0.00 0.00 -0.02 0.00 0.00 41.12 37.50 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 3.29 0.00 -0.88 0.53 1.08 -1.92 -3.04 117.51 116.57 3phy h ILE 11 Ca -0.01 -0.08 0.26 0.00 -0.39 0.00 0.00 64.86 64.64 3phy h ILE 11 Cb 0.38 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 3phy h ILE 11 CO 0.06 0.00 0.96 1.05 -0.69 0.00 0.00 178.15 179.53 3phy h GLU 12 N -0.08 0.00 -0.00 2.37 9.09 -1.96 0.32 114.58 124.31 3phy h GLU 12 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3phy h GLU 12 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3phy h GLU 12 CO 0.00 0.00 -0.08 -0.97 0.05 0.00 0.00 179.01 178.01 3phy h ASN 13 N 0.00 0.07 0.44 3.06 -0.00 -1.92 -2.81 115.58 114.42 3phy h ASN 13 Ca 0.42 -0.77 -0.02 0.00 -0.00 0.00 0.00 56.30 55.93 3phy h ASN 13 Cb 2.33 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 40.63 3phy h ASN 13 CO -0.00 0.83 -0.21 0.74 -0.00 0.00 0.00 177.43 178.78 3phy h THR 14 N -0.67 0.00 -1.52 -3.57 2.02 -0.41 -2.62 112.91 106.14 3phy h THR 14 Ca -0.01 -0.45 0.47 0.00 0.77 0.00 0.00 66.41 67.19 3phy h THR 14 Cb 0.84 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.16 3phy h THR 14 CO 0.02 0.00 1.06 0.18 0.37 0.00 0.00 175.52 177.14 3phy n LEU 15 N -4.83 0.07 -0.05 2.58 4.77 0.52 -0.93 117.00 119.13 3phy n LEU 15 Ca -0.07 1.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.90 3phy n LEU 15 Cb 0.23 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3phy n LEU 15 CO 0.18 -1.04 -0.03 0.00 -1.33 0.00 0.00 177.39 175.17 3phy h ALA 16 N 1.07 0.00 -1.81 -1.18 0.00 -1.41 -3.39 119.26 112.54 3phy h ALA 16 Ca 0.80 -0.05 -0.81 0.00 0.00 0.00 0.00 54.91 54.85 3phy h ALA 16 Cb 2.97 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 20.53 3phy h ALA 16 CO -0.17 0.04 0.83 1.17 0.00 0.00 0.00 179.25 181.13 3phy n LYS 17 N -4.40 4.64 -4.21 0.00 4.81 -0.11 -4.98 118.16 113.91 3phy n LYS 17 Ca -0.01 -4.57 -0.19 0.00 -0.87 0.00 0.00 58.31 52.68 3phy n LYS 17 Cb 0.02 -2.51 -0.12 0.00 0.02 0.00 0.00 35.03 32.45 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 -3.03 0.94 -0.00 1.64 1.75 -0.85 -4.83 119.30 114.92 3phy s MET 18 Ca 0.32 -1.11 -0.00 0.00 -1.25 0.00 0.00 55.69 53.65 3phy s MET 18 Cb 0.07 -0.91 -0.00 0.00 2.84 0.00 0.00 34.83 36.83 3phy s MET 18 CO 0.07 0.19 -0.00 -3.47 -0.65 0.00 0.00 175.02 171.16 3phy n ASP 19 N 0.90 0.01 0.00 1.11 -0.08 -1.26 -5.05 116.55 112.19 3phy n ASP 19 Ca -0.18 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 3phy n ASP 19 Cb 0.55 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.51 3phy n ASP 19 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3phy n ASP 20 N -2.33 0.00 0.00 1.67 5.75 -1.26 -4.99 116.55 115.39 3phy n ASP 20 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3phy n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 21 N 0.00 1.70 0.01 6.12 0.00 -1.26 -5.00 105.19 106.76 3phy n GLY 21 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.64 0.57 -0.32 1.61 7.27 -1.26 -4.47 117.38 120.14 3phy n GLN 22 Ca 0.00 -0.11 0.07 0.00 0.07 0.00 0.00 57.00 57.03 3phy n GLN 22 Cb 0.00 -1.29 0.21 0.00 2.41 0.00 0.00 30.24 31.57 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 -1.90 3.45 -0.31 1.69 -0.00 -1.26 -4.45 117.00 114.23 3phy n LEU 23 Ca -0.02 -2.41 0.13 0.00 -0.00 0.00 0.00 56.01 53.72 3phy n LEU 23 Cb 0.33 -0.38 0.46 0.00 -0.00 0.00 0.00 43.42 43.83 3phy n LEU 23 CO 0.27 0.72 0.76 0.47 -0.00 0.00 0.00 177.39 179.61 3phy n ASP 24 N 0.21 1.11 -2.22 1.45 9.92 -1.26 -3.91 116.55 121.84 3phy n ASP 24 Ca 0.16 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 53.08 3phy n ASP 24 Cb 0.64 0.07 0.13 0.00 -0.64 0.00 0.00 41.12 41.32 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 25 N 1.27 5.19 3.70 0.44 0.00 -1.26 -4.45 105.19 110.08 3phy n GLY 25 Ca 0.15 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.54 3.41 0.00 0.99 1.43 -1.25 -5.00 118.68 114.71 3phy s LEU 26 Ca 0.60 -0.48 0.15 0.00 -1.03 0.00 0.00 54.13 53.37 3phy s LEU 26 Cb 0.49 -1.96 0.56 0.00 0.03 0.00 0.00 46.19 45.31 3phy s LEU 26 CO 0.05 0.01 1.41 0.00 0.23 0.00 0.00 176.35 178.05 3phy n ALA 27 N -0.83 2.50 -3.29 4.21 0.00 -1.26 -4.81 120.51 117.03 3phy n ALA 27 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3phy n ALA 27 Cb 0.58 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.24 0.00 -4.39 0.00 1.16 -1.26 -3.19 117.46 110.02 3phy n PHE 28 Ca 0.13 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.42 3phy n PHE 28 Cb 0.27 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.01 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 -0.97 1.62 -0.55 4.97 0.00 -0.26 -3.91 107.32 108.23 3phy s GLY 29 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.36 3phy s GLY 29 CO 0.00 -1.37 0.35 0.00 0.00 0.00 0.00 173.10 172.08 3phy s ALA 30 N -1.08 2.84 0.21 3.20 0.00 -1.19 -2.51 121.76 123.24 3phy s ALA 30 Ca 0.16 -3.15 -0.09 0.00 0.00 0.00 0.00 51.96 48.88 3phy s ALA 30 Cb -0.10 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 3phy s ALA 30 CO 0.08 -2.05 0.52 0.96 0.00 0.00 0.00 175.76 175.26 3phy s ILE 31 N -0.47 4.98 0.30 0.00 -5.25 -1.06 -4.06 121.20 115.64 3phy s ILE 31 Ca 0.23 0.39 0.10 0.00 -0.99 0.00 0.00 60.65 60.37 3phy s ILE 31 Cb -0.13 -3.62 -0.05 0.00 2.95 0.00 0.00 42.46 41.62 3phy s ILE 31 CO -0.09 -0.05 -0.02 -1.10 -1.79 0.00 0.00 174.94 171.89 3phy s GLN 32 N -2.79 2.12 -0.06 0.37 -1.52 -0.47 -1.37 119.66 115.94 3phy s GLN 32 Ca 0.46 -1.62 -0.14 0.00 -1.95 0.00 0.00 55.36 52.11 3phy s GLN 32 Cb -0.11 -2.01 0.03 0.00 -0.22 0.00 0.00 33.01 30.70 3phy s GLN 32 CO 0.22 0.24 0.34 -0.51 -0.25 0.00 0.00 175.29 175.33 3phy s LEU 33 N -3.68 0.71 0.50 2.90 1.43 -0.01 -2.50 118.68 118.04 3phy s LEU 33 Ca 0.33 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 3phy s LEU 33 Cb -0.03 1.30 0.05 0.00 0.03 0.00 0.00 46.19 47.53 3phy s LEU 33 CO 0.19 -0.33 0.69 -0.62 0.23 0.00 0.00 176.35 176.51 3phy s ASP 34 N -0.73 5.37 0.19 2.29 2.15 0.03 -2.10 116.67 123.88 3phy s ASP 34 Ca -0.08 -0.56 -0.24 0.00 0.43 0.00 0.00 52.55 52.10 3phy s ASP 34 Cb -0.04 -0.28 0.08 0.00 -0.30 0.00 0.00 42.92 42.39 3phy s ASP 34 CO 0.03 -1.05 1.55 1.23 -0.17 0.00 0.00 175.17 176.75 3phy h GLY 35 N 0.38 -0.39 2.00 2.66 0.00 -1.91 0.81 103.07 106.63 3phy h GLY 35 Ca -0.36 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3phy h GLY 35 CO 0.44 -0.08 0.00 -0.55 0.00 0.00 0.00 176.54 176.35 3phy h ASP 36 N -0.00 0.00 0.00 0.19 5.19 -2.01 -3.44 116.42 116.35 3phy h ASP 36 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3phy h ASP 36 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3phy h ASP 36 CO -0.96 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 175.77 3phy n GLY 37 N -0.84 1.89 3.76 2.75 0.00 0.28 -4.86 105.19 108.17 3phy n GLY 37 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 7.27 0.28 1.61 -0.87 -1.21 -2.44 114.94 117.57 3phy s ASN 38 Ca 0.00 1.51 -0.30 0.00 -1.57 0.00 0.00 52.86 52.50 3phy s ASN 38 Cb 0.00 -2.47 -0.11 0.00 -0.02 0.00 0.00 41.25 38.65 3phy s ASN 38 CO 0.00 0.09 1.48 -0.51 -2.57 0.00 0.00 177.10 175.59 3phy s ILE 39 N -0.48 2.45 -0.09 0.60 1.10 -1.18 -0.79 121.20 122.81 3phy s ILE 39 Ca 0.37 0.39 0.09 0.00 -0.51 0.00 0.00 60.65 60.99 3phy s ILE 39 Cb -0.21 -3.25 -0.13 0.00 0.15 0.00 0.00 42.46 39.02 3phy s ILE 39 CO 0.24 0.07 0.07 0.18 -2.11 0.00 0.00 174.94 173.38 3phy n LEU 40 N 2.02 0.00 -3.50 8.50 4.77 -1.04 -4.27 117.00 123.47 3phy n LEU 40 Ca 0.06 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 3phy n LEU 40 Cb 0.39 0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 3phy n LEU 40 CO 0.62 0.21 0.42 -1.58 -1.33 0.00 0.00 177.39 175.72 3phy s GLN 41 N -2.32 1.12 0.08 3.23 -0.44 -1.26 -4.92 119.66 115.15 3phy s GLN 41 Ca -0.05 0.03 0.00 0.00 -2.50 0.00 0.00 55.36 52.84 3phy s GLN 41 Cb 0.04 0.52 0.00 0.00 -1.64 0.00 0.00 33.01 31.93 3phy s GLN 41 CO 0.42 -0.40 0.00 0.98 0.50 0.00 0.00 175.29 176.79 3phy n TYR 42 N 0.53 -0.65 0.00 1.67 9.36 -1.26 -1.37 117.16 125.44 3phy n TYR 42 Ca -0.18 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.15 3phy n TYR 42 Cb 0.59 0.39 0.00 0.00 -0.63 0.00 0.00 39.34 39.70 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 -2.83 0.00 -0.02 2.98 6.94 -1.26 -3.15 115.26 117.92 3phy n ASN 43 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 3phy n ASN 43 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 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 1.22 2.24 0.14 -2.53 0.00 -1.26 -4.18 120.51 116.14 3phy n ALA 44 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 3phy n ALA 44 Cb 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 1.60 -0.96 0.44 0.00 0.00 -1.81 0.32 119.26 118.84 3phy h ALA 45 Ca -0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3phy h ALA 45 Cb 1.47 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 3phy h ALA 45 CO 0.02 -1.03 -0.27 1.05 0.00 0.00 0.00 179.25 179.02 3phy h GLU 46 N -0.66 -0.65 0.00 0.00 4.11 -1.81 -0.51 114.58 115.07 3phy h GLU 46 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3phy h GLU 46 Cb 0.62 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3phy h GLU 46 CO -0.15 -0.43 0.12 0.78 0.07 0.00 0.00 179.01 179.40 3phy h GLY 47 N -0.67 0.00 1.13 1.06 0.00 -1.63 0.26 103.07 103.22 3phy h GLY 47 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 3phy h GLY 47 CO 0.05 0.00 -0.83 -1.80 0.00 0.00 0.00 176.54 173.96 3phy h ASP 48 N 0.00 0.89 0.00 0.19 3.58 0.14 0.36 116.42 121.57 3phy h ASP 48 Ca 0.00 -0.67 -0.03 0.00 0.42 0.00 0.00 57.03 56.74 3phy h ASP 48 Cb 0.24 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3phy h ASP 48 CO 0.00 1.43 -0.35 0.40 -2.88 0.00 0.00 179.24 177.83 3phy h ILE 49 N 0.42 0.43 0.00 2.25 1.08 -0.90 -3.36 117.51 117.43 3phy h ILE 49 Ca -0.08 -1.39 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 3phy h ILE 49 Cb 1.47 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 3phy h ILE 49 CO 0.17 0.14 -0.30 0.71 -0.69 0.00 0.00 178.15 178.19 3phy h THR 50 N -1.00 0.68 0.00 -0.27 1.35 -1.34 -3.47 112.91 108.87 3phy h THR 50 Ca -0.05 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3phy h THR 50 Cb 0.52 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3phy h THR 50 CO -0.03 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3phy n GLY 51 N 0.30 3.16 3.51 5.82 0.00 0.13 -4.97 105.19 113.14 3phy n GLY 51 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3phy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy n ARG 52 N -2.00 0.18 -1.41 1.61 1.74 -1.21 -4.80 116.66 110.77 3phy n ARG 52 Ca 0.00 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 3phy n ARG 52 Cb 0.00 -1.79 0.08 0.00 -1.02 0.00 0.00 32.46 29.73 3phy n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3phy s ASP 53 N 7.77 4.66 -0.06 0.55 1.01 -1.26 -3.82 116.67 125.52 3phy s ASP 53 Ca 1.28 1.90 -0.04 0.00 0.71 0.00 0.00 52.55 56.39 3phy s ASP 53 Cb -0.96 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 40.41 3phy s ASP 53 CO 0.45 -1.93 0.21 1.55 0.21 0.00 0.00 175.17 175.66 3phy h PRO 54 N -0.75 -0.15 0.00 8.23 0.13 -1.89 -1.84 132.00 135.72 3phy h PRO 54 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3phy h PRO 54 Cb 1.24 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3phy h PRO 54 CO 0.52 -0.10 0.00 0.87 -0.23 0.00 0.00 178.00 179.06 3phy h LYS 55 N -0.84 0.00 0.15 0.86 1.57 -1.97 -1.78 116.57 114.55 3phy h LYS 55 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 3phy h LYS 55 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3phy h LYS 55 CO 0.03 0.00 -1.70 0.37 -0.57 0.00 0.00 179.45 177.58 3phy h GLN 56 N 0.00 0.31 0.00 3.15 4.15 -1.96 -3.29 115.11 117.47 3phy h GLN 56 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3phy h GLN 56 Cb 0.11 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3phy h GLN 56 CO 0.00 1.25 0.00 1.33 -1.93 0.00 0.00 178.83 179.48 3phy n VAL 57 N -3.69 0.00 -2.23 2.39 0.24 -0.69 -4.64 118.33 109.71 3phy n VAL 57 Ca -0.27 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 3phy n VAL 57 Cb 1.01 -0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 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 -2.00 3.91 0.00 1.34 1.01 -0.71 -1.75 121.20 122.99 3phy s ILE 58 Ca 0.38 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3phy s ILE 58 Cb 0.17 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.91 3phy s ILE 58 CO 0.29 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3phy n GLY 59 N 3.81 2.12 3.75 6.18 0.00 -1.26 -5.01 105.19 114.78 3phy n GLY 59 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.52 4.81 -0.83 1.61 -0.14 -0.72 -4.78 119.74 119.18 3phy s LYS 60 Ca 0.00 1.55 -0.25 0.00 -1.36 0.00 0.00 55.97 55.91 3phy s LYS 60 Cb 0.00 -3.27 0.04 0.00 -1.68 0.00 0.00 37.83 32.93 3phy s LYS 60 CO 0.00 0.45 1.30 1.21 -0.76 0.00 0.00 175.35 177.55 3phy s ASN 61 N -1.08 6.28 0.42 2.83 3.04 -1.26 -3.09 114.94 122.08 3phy s ASN 61 Ca 0.42 -0.86 0.14 0.00 0.04 0.00 0.00 52.86 52.60 3phy s ASN 61 Cb -0.27 -2.55 1.01 0.00 -1.54 0.00 0.00 41.25 37.90 3phy s ASN 61 CO 0.34 -1.68 1.93 0.15 -3.04 0.00 0.00 177.10 174.80 3phy h PHE 62 N 9.88 0.52 0.00 0.43 3.57 -1.83 1.25 116.94 130.76 3phy h PHE 62 Ca -0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 3phy h PHE 62 Cb 1.04 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3phy h PHE 62 CO 1.17 0.22 -0.37 0.74 -2.23 0.00 0.00 178.31 177.83 3phy h PHE 63 N 0.46 0.00 -0.56 0.41 0.04 -1.85 -2.79 116.94 112.65 3phy h PHE 63 Ca 0.35 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.82 3phy h PHE 63 Cb 0.72 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.57 3phy h PHE 63 CO -0.00 0.33 -0.85 1.17 -0.60 0.00 0.00 178.31 178.36 3phy n LYS 64 N -3.17 1.20 0.00 1.51 4.81 -0.24 -4.07 118.16 118.20 3phy n LYS 64 Ca 0.02 -2.66 0.00 0.00 -0.87 0.00 0.00 58.31 54.80 3phy n LYS 64 Cb 0.67 -0.76 0.00 0.00 0.02 0.00 0.00 35.03 34.96 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 -0.34 0.00 -0.06 3.14 -0.08 0.41 -4.71 116.55 114.92 3phy n ASP 65 Ca 0.03 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.23 3phy n ASP 65 Cb 0.83 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.26 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 -0.12 1.36 -3.37 5.18 0.31 -0.33 -4.80 118.33 116.56 3phy n VAL 66 Ca 0.00 0.14 -0.44 0.00 -0.01 0.00 0.00 64.34 64.03 3phy n VAL 66 Cb 0.00 -2.06 -0.08 0.00 -0.91 0.00 0.00 33.84 30.79 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 -2.59 3.51 -2.00 3.52 0.00 -1.05 -4.90 121.76 118.25 3phy s ALA 67 Ca -0.21 -1.93 0.24 0.00 0.00 0.00 0.00 51.96 50.05 3phy s ALA 67 Cb 0.04 -3.07 1.42 0.00 0.00 0.00 0.00 23.12 21.52 3phy s ALA 67 CO 0.31 -1.70 1.84 -0.35 0.00 0.00 0.00 175.76 175.86 3phy n PRO 68 N 5.35 0.87 -0.01 0.00 -0.04 -1.26 -2.89 135.00 137.02 3phy n PRO 68 Ca -0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 3phy n PRO 68 Cb 0.45 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.96 0.28 -2.73 0.00 -2.24 -1.14 -4.22 114.28 102.26 3phy n THR 70 Ca -0.02 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 3phy n THR 70 Cb 0.36 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.13 6.43 -3.54 3.42 2.03 -1.26 -2.15 116.55 121.62 3phy n ASP 71 Ca 0.08 -3.69 -0.15 0.00 0.52 0.00 0.00 54.79 51.55 3phy n ASP 71 Cb 0.19 -0.97 -0.07 0.00 -0.72 0.00 0.00 41.12 39.55 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 -2.04 0.91 -1.26 1.67 0.01 -1.26 -4.92 113.70 106.82 3phy s SER 72 Ca 0.42 -1.50 -0.19 0.00 1.31 0.00 0.00 55.95 55.99 3phy s SER 72 Cb 0.22 0.57 0.01 0.00 0.21 0.00 0.00 66.02 67.03 3phy s SER 72 CO -0.14 -1.12 1.85 -0.81 0.41 0.00 0.00 173.24 173.43 3phy n PRO 73 N -0.51 2.65 0.00 12.44 -0.04 -1.26 -1.02 135.00 147.25 3phy n PRO 73 Ca 0.03 -2.93 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 3phy n PRO 73 Cb 0.63 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 8.09 0.00 -0.01 0.54 2.13 -1.26 -4.81 120.64 125.32 3phy n GLU 74 Ca 0.48 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.29 3phy n GLU 74 Cb 0.45 0.00 -0.01 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 0.34 4.31 -0.00 -1.13 -4.14 117.46 116.84 3phy n PHE 75 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 3phy n PHE 75 Cb 0.00 -0.08 0.51 0.00 -0.00 0.00 0.00 39.48 39.90 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 -0.17 0.00 0.51 -5.13 3.20 -0.90 -2.97 116.97 111.52 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 0.17 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.44 3phy h TYR 76 CO -0.07 0.00 -0.25 0.78 -1.64 0.00 0.00 178.16 176.98 3phy h GLY 77 N 2.77 -0.72 2.00 1.82 0.00 -1.31 0.78 103.07 108.41 3phy h GLY 77 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3phy h GLY 77 CO 0.00 -0.26 0.00 0.50 0.00 0.00 0.00 176.54 176.78 3phy h LYS 78 N -0.82 0.00 0.19 4.80 1.79 -1.71 -1.01 116.57 119.81 3phy h LYS 78 Ca -0.07 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.07 3phy h LYS 78 Cb 0.53 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.20 3phy h LYS 78 CO 0.12 0.00 -1.52 0.35 -1.08 0.00 0.00 179.45 177.31 3phy h PHE 79 N 0.00 0.73 0.00 -1.35 3.04 -1.33 -1.62 116.94 116.41 3phy h PHE 79 Ca 0.00 -0.53 0.00 0.00 3.98 0.00 0.00 57.97 61.42 3phy h PHE 79 Cb 0.05 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.53 3phy h PHE 79 CO 0.00 1.51 0.00 1.63 -2.02 0.00 0.00 178.31 179.43 3phy n LYS 80 N -3.60 0.16 -0.10 1.11 5.02 0.25 -1.53 118.16 119.47 3phy n LYS 80 Ca -0.17 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 3phy n LYS 80 Cb 1.07 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.21 3phy n LYS 80 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3phy n GLU 81 N -2.03 0.67 -0.23 1.97 0.28 -0.90 -3.22 120.64 117.19 3phy n GLU 81 Ca 0.04 0.13 -0.07 0.00 -0.16 0.00 0.00 57.16 57.11 3phy n GLU 81 Cb 0.32 -1.56 0.07 0.00 1.43 0.00 0.00 31.44 31.70 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 2.56 1.15 0.84 -1.84 0.00 -1.23 0.41 103.07 104.96 3phy h GLY 82 Ca -0.53 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.06 3phy h GLY 82 CO -0.02 0.68 -0.08 -2.08 0.00 0.00 0.00 176.54 175.04 3phy h VAL 83 N 1.01 0.92 -0.00 4.60 2.07 -1.44 -1.68 116.25 121.73 3phy h VAL 83 Ca 0.21 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3phy h VAL 83 Cb 0.39 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3phy h VAL 83 CO 0.01 0.08 -0.00 0.00 0.02 0.00 0.00 177.57 177.67 3phy n ALA 84 N -2.27 2.59 -0.07 1.67 0.00 -1.11 -3.41 120.51 117.91 3phy n ALA 84 Ca -0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 3phy n ALA 84 Cb 0.17 -1.50 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.13 0.33 0.00 0.00 2.88 0.14 -4.98 113.62 110.86 3phy n SER 85 Ca 0.19 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 3phy n SER 85 Cb 0.18 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 1.67 0.86 2.95 0.46 0.00 -0.66 -5.01 105.19 105.46 3phy n GLY 86 Ca -0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 3phy n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3phy s ASN 87 N -2.12 -1.07 -0.12 1.61 0.01 -1.10 -5.07 114.94 107.07 3phy s ASN 87 Ca 0.00 -0.76 -0.29 0.00 -0.71 0.00 0.00 52.86 51.09 3phy s ASN 87 Cb 0.00 1.38 -0.02 0.00 0.41 0.00 0.00 41.25 43.02 3phy s ASN 87 CO 0.00 -0.09 1.16 -0.22 -1.51 0.00 0.00 177.10 176.43 3phy s LEU 88 N 1.59 4.22 -0.48 0.60 0.20 -1.25 -4.74 118.68 118.81 3phy s LEU 88 Ca 0.19 1.66 0.06 0.00 0.69 0.00 0.00 54.13 56.73 3phy s LEU 88 Cb 0.01 -3.55 0.19 0.00 -0.43 0.00 0.00 46.19 42.41 3phy s LEU 88 CO -0.09 -0.62 0.73 0.21 -0.29 0.00 0.00 176.35 176.29 3phy s ASN 89 N 1.50 -1.40 0.32 3.68 2.47 -1.26 -1.31 114.94 118.95 3phy s ASN 89 Ca 0.52 -1.44 0.04 0.00 0.42 0.00 0.00 52.86 52.41 3phy s ASN 89 Cb -0.21 1.82 -0.06 0.00 -1.45 0.00 0.00 41.25 41.35 3phy s ASN 89 CO 0.16 -0.07 0.05 0.28 -3.72 0.00 0.00 177.10 173.80 3phy s THR 90 N 1.11 1.27 -0.07 -5.21 -1.32 -1.02 -5.03 115.64 105.37 3phy s THR 90 Ca 0.26 -2.01 -0.30 0.00 -1.21 0.00 0.00 61.69 58.43 3phy s THR 90 Cb -0.00 -2.77 0.07 0.00 -1.51 0.00 0.00 72.50 68.28 3phy s THR 90 CO -0.06 -0.03 0.67 -0.32 -2.21 0.00 0.00 174.62 172.68 3phy s MET 91 N -3.87 1.03 -0.03 7.08 1.75 -1.26 -2.57 119.30 121.44 3phy s MET 91 Ca 0.36 0.31 -0.30 0.00 -1.25 0.00 0.00 55.69 54.80 3phy s MET 91 Cb 0.08 0.49 0.11 0.00 2.84 0.00 0.00 34.83 38.35 3phy s MET 91 CO 0.15 -0.31 1.14 -0.59 -0.65 0.00 0.00 175.02 174.76 3phy s PHE 92 N -1.07 -0.13 -0.48 4.11 -0.12 -1.19 -5.02 117.98 114.07 3phy s PHE 92 Ca -0.10 -0.00 -0.17 0.00 -0.05 0.00 0.00 56.93 56.60 3phy s PHE 92 Cb -0.00 0.55 0.06 0.00 -0.63 0.00 0.00 43.02 43.00 3phy s PHE 92 CO 0.09 -0.40 0.51 -1.83 -0.05 0.00 0.00 175.22 173.54 3phy s GLU 93 N -2.70 3.06 0.43 1.99 1.03 -1.26 -2.31 118.70 118.94 3phy s GLU 93 Ca 0.11 -1.07 0.06 0.00 0.03 0.00 0.00 54.97 54.10 3phy s GLU 93 Cb 0.01 -4.10 0.06 0.00 -0.80 0.00 0.00 34.13 29.30 3phy s GLU 93 CO -0.04 -1.11 0.47 0.98 -1.33 0.00 0.00 175.26 174.23 3phy n TYR 94 N 5.72 -1.70 -3.35 4.83 9.36 -1.15 -4.98 117.16 125.89 3phy n TYR 94 Ca -0.09 -1.67 -0.10 0.00 3.32 0.00 0.00 57.90 59.36 3phy n TYR 94 Cb 0.45 -0.38 -0.08 0.00 -0.63 0.00 0.00 39.34 38.70 3phy n TYR 94 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3phy s THR 95 N -1.88 -0.59 -0.35 2.97 2.01 -1.26 -2.81 115.64 113.73 3phy s THR 95 Ca 0.36 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 3phy s THR 95 Cb -0.03 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.66 3phy s THR 95 CO 0.23 -0.16 0.92 -0.36 -0.69 0.00 0.00 174.62 174.56 3phy s PHE 96 N 2.53 3.10 -0.27 4.92 0.08 0.45 -4.81 117.98 123.97 3phy s PHE 96 Ca 0.12 0.81 0.22 0.00 0.12 0.00 0.00 56.93 58.20 3phy s PHE 96 Cb -0.15 -3.59 0.50 0.00 -0.57 0.00 0.00 43.02 39.21 3phy s PHE 96 CO -0.18 -0.78 1.08 -3.47 -0.10 0.00 0.00 175.22 171.76 3phy n ASP 97 N 6.70 1.60 -4.80 1.36 2.03 -1.26 -0.90 116.55 121.28 3phy n ASP 97 Ca 0.07 -2.21 -0.35 0.00 0.52 0.00 0.00 54.79 52.83 3phy n ASP 97 Cb 0.48 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 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 -3.65 3.36 0.00 -0.67 -0.85 -1.26 -4.45 117.35 109.83 3phy s TYR 98 Ca 0.27 1.65 0.00 0.00 -0.52 0.00 0.00 57.07 58.48 3phy s TYR 98 Cb 0.35 -2.93 0.00 0.00 0.38 0.00 0.00 41.96 39.76 3phy s TYR 98 CO -0.02 -0.19 0.00 0.94 -1.52 0.00 0.00 175.55 174.75 3phy n GLN 99 N -0.31 -0.02 -2.85 -3.49 7.27 -1.26 -4.49 117.38 112.23 3phy n GLN 99 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3phy n GLN 99 Cb 0.52 0.02 0.00 0.00 2.41 0.00 0.00 30.24 33.19 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3phy n MET 100 N -0.06 0.00 -2.87 3.69 1.56 -1.26 -5.15 117.12 113.04 3phy n MET 100 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.12 3phy n MET 100 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 3phy n MET 100 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3phy s THR 101 N -3.09 4.73 0.29 1.12 -1.32 -1.26 -4.97 115.64 111.14 3phy s THR 101 Ca 0.00 0.77 -0.28 0.00 -1.21 0.00 0.00 61.69 60.96 3phy s THR 101 Cb 0.00 -3.70 -0.09 0.00 -1.51 0.00 0.00 72.50 67.19 3phy s THR 101 CO 0.00 -0.46 1.06 -2.16 -2.21 0.00 0.00 174.62 170.84 3phy s PRO 102 N -3.67 4.60 -0.00 7.08 0.04 -1.26 -4.50 135.00 137.29 3phy s PRO 102 Ca 0.53 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 3phy s PRO 102 Cb -0.10 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 3phy s PRO 102 CO 0.28 0.21 0.00 0.99 0.04 0.00 0.00 177.00 178.52 3phy s THR 103 N -1.27 0.00 -0.04 1.26 2.01 -0.08 -4.97 115.64 112.55 3phy s THR 103 Ca 0.46 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.47 3phy s THR 103 Cb -0.29 -0.02 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3phy s THR 103 CO 0.36 -0.01 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.46 3phy s LYS 104 N -0.02 2.63 -0.08 4.92 2.20 -1.26 -0.42 119.74 127.71 3phy s LYS 104 Ca -0.00 -0.64 -0.13 0.00 -0.36 0.00 0.00 55.97 54.84 3phy s LYS 104 Cb -0.00 -2.52 0.03 0.00 -1.51 0.00 0.00 37.83 33.82 3phy s LYS 104 CO -0.00 0.64 0.33 0.14 -0.36 0.00 0.00 175.35 176.10 3phy s VAL 105 N -0.87 0.02 -0.63 4.02 -7.23 -1.12 -1.95 120.40 112.64 3phy s VAL 105 Ca 0.14 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 59.88 3phy s VAL 105 Cb -0.11 -0.54 0.05 0.00 0.56 0.00 0.00 36.38 36.34 3phy s VAL 105 CO 0.04 -0.10 0.99 -1.59 -0.31 0.00 0.00 175.10 174.12 3phy s LYS 106 N -0.43 3.21 0.46 4.82 0.00 -0.34 -2.95 119.74 124.51 3phy s LYS 106 Ca -0.05 -0.54 -0.09 0.00 0.00 0.00 0.00 55.97 55.29 3phy s LYS 106 Cb -0.04 -4.15 -0.05 0.00 0.00 0.00 0.00 37.83 33.59 3phy s LYS 106 CO 0.02 -1.72 0.81 0.14 0.00 0.00 0.00 175.35 174.60 3phy s VAL 107 N 4.22 4.80 -0.30 1.79 -7.23 -0.98 -2.80 120.40 119.91 3phy s VAL 107 Ca 0.27 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 61.00 3phy s VAL 107 Cb -0.14 -3.79 0.19 0.00 0.56 0.00 0.00 36.38 33.20 3phy s VAL 107 CO 0.14 -0.70 0.61 -2.28 -0.31 0.00 0.00 175.10 172.57 3phy s HIS 108 N -2.58 -1.66 0.10 2.82 5.04 -0.48 -3.15 115.29 115.37 3phy s HIS 108 Ca 0.51 1.50 0.07 0.00 -1.54 0.00 0.00 55.06 55.60 3phy s HIS 108 Cb -0.10 0.48 -0.04 0.00 0.04 0.00 0.00 32.58 32.96 3phy s HIS 108 CO 0.38 -0.93 -0.12 -1.64 -2.34 0.00 0.00 174.74 170.08 3phy s MET 109 N 2.85 2.05 0.23 2.88 1.00 -1.06 -1.42 119.30 125.82 3phy s MET 109 Ca 0.17 -1.05 -0.05 0.00 0.00 0.00 0.00 55.69 54.76 3phy s MET 109 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 34.83 32.42 3phy s MET 109 CO -0.22 0.51 0.27 0.21 0.00 0.00 0.00 175.02 175.78 3phy s LYS 110 N -2.12 1.37 -0.63 2.03 2.20 -0.14 -2.44 119.74 120.00 3phy s LYS 110 Ca 0.20 -1.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.01 3phy s LYS 110 Cb -0.11 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.59 3phy s LYS 110 CO 0.12 -0.50 1.22 0.21 -0.36 0.00 0.00 175.35 176.04 3phy s LYS 111 N -4.04 3.41 0.79 4.03 2.20 -0.43 -1.50 119.74 124.20 3phy s LYS 111 Ca 0.33 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.88 3phy s LYS 111 Cb 0.04 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 3phy s LYS 111 CO 0.12 -1.83 0.54 0.00 -0.36 0.00 0.00 175.35 173.82 3phy n ALA 112 N 8.73 -1.70 -0.59 3.13 0.00 -1.16 -4.83 120.51 124.09 3phy n ALA 112 Ca 0.07 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.26 3phy n ALA 112 Cb 0.49 -1.86 0.33 0.00 0.00 0.00 0.00 19.45 18.41 3phy n ALA 112 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3phy n LEU 113 N -0.74 4.50 0.22 0.00 -0.00 -1.26 -3.54 117.00 116.19 3phy n LEU 113 Ca 0.09 -2.40 0.09 0.00 -0.00 0.00 0.00 56.01 53.80 3phy n LEU 113 Cb 0.51 -0.54 0.50 0.00 -0.00 0.00 0.00 43.42 43.89 3phy n LEU 113 CO 0.50 0.82 0.82 -1.28 -0.00 0.00 0.00 177.39 178.25 3phy h SER 114 N 3.84 0.00 0.00 1.45 0.87 -1.96 -3.44 113.55 114.30 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3phy h SER 114 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3phy h SER 114 CO 0.19 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 3phy n GLY 115 N -0.08 -0.99 3.10 5.77 0.00 -1.26 -4.98 105.19 106.75 3phy n GLY 115 Ca -0.01 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.63 -1.92 1.61 8.00 -1.26 -5.03 116.55 111.31 3phy n ASP 116 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3phy n ASP 116 Cb 0.00 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.13 3phy n ASP 116 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3phy n SER 117 N -2.80 1.70 -3.30 -2.24 2.88 -1.23 -4.68 113.62 103.95 3phy n SER 117 Ca -0.05 -0.96 -0.06 0.00 -1.33 0.00 0.00 58.87 56.47 3phy n SER 117 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3phy s TYR 118 N -0.63 -1.04 -0.04 0.66 2.02 -0.89 -3.00 117.35 114.42 3phy s TYR 118 Ca 0.00 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 3phy s TYR 118 Cb 0.00 0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.65 3phy s TYR 118 CO 0.00 -0.80 -0.02 1.67 -1.57 0.00 0.00 175.55 174.83 3phy s TRP 119 N 2.62 3.07 -0.20 2.71 1.48 -0.56 -0.82 118.94 127.23 3phy s TRP 119 Ca 0.14 0.10 -0.00 0.00 -1.06 0.00 0.00 56.10 55.28 3phy s TRP 119 Cb -0.15 -1.72 0.02 0.00 -1.16 0.00 0.00 33.47 30.46 3phy s TRP 119 CO -0.19 0.43 -0.14 0.08 -4.06 0.00 0.00 176.95 173.07 3phy s VAL 120 N -0.96 2.49 -0.26 -0.66 1.01 -0.47 -0.96 120.40 120.60 3phy s VAL 120 Ca 0.16 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 3phy s VAL 120 Cb -0.11 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3phy s VAL 120 CO 0.05 0.43 0.14 -0.36 0.00 0.00 0.00 175.10 175.37 3phy s PHE 121 N 1.33 3.21 -0.27 5.22 0.08 -0.51 -2.56 117.98 124.47 3phy s PHE 121 Ca 0.04 0.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.03 3phy s PHE 121 Cb -0.14 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3phy s PHE 121 CO -0.09 -0.13 0.04 0.08 -0.10 0.00 0.00 175.22 175.02 3phy s VAL 122 N 1.45 3.75 -0.16 -0.44 1.01 -1.04 -1.39 120.40 123.59 3phy s VAL 122 Ca 0.07 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3phy s VAL 122 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3phy s VAL 122 CO 0.07 0.17 0.10 -0.75 0.00 0.00 0.00 175.10 174.68 3phy s LYS 123 N 1.48 3.78 -0.20 2.72 2.20 -1.12 -1.10 119.74 127.50 3phy s LYS 123 Ca 0.03 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 3phy s LYS 123 Cb -0.16 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3phy s LYS 123 CO 0.01 0.48 1.38 0.50 -0.36 0.00 0.00 175.35 177.35 3phy s ARG 124 N -0.18 4.07 0.00 4.03 3.52 -1.19 -1.20 118.95 128.00 3phy s ARG 124 Ca 0.09 1.62 0.32 0.00 -0.13 0.00 0.00 55.73 57.63 3phy s ARG 124 Cb -0.12 -3.86 1.91 0.00 -1.56 0.00 0.00 34.95 31.32 3phy s ARG 124 CO 0.01 -0.92 2.23 0.28 -0.81 0.00 0.00 175.30 176.08