#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 -5.23 0.00 2.12 2.13 -1.26 -4.83 120.64 113.57 3phy n GLU 2 Ca 0.00 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3phy n GLU 2 Cb 0.00 -5.55 0.00 0.00 0.27 0.00 0.00 31.44 26.16 3phy n GLU 2 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3phy n HIS 3 N -4.52 0.00 -3.22 4.31 8.25 -1.26 -5.04 115.22 113.74 3phy n HIS 3 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.49 3phy n HIS 3 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3phy s VAL 4 N -1.90 -0.34 0.00 1.59 0.11 -1.26 -4.93 120.40 113.67 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 5.22 0.00 0.10 1.54 0.00 -1.26 -1.76 120.51 124.35 3phy n ALA 5 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3phy n ALA 5 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 3phy n ALA 5 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3phy h PHE 6 N 0.00 -1.30 0.00 0.00 0.04 -1.95 -3.40 116.94 110.33 3phy h PHE 6 Ca 0.00 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 3phy h PHE 6 Cb 0.00 0.56 -0.12 0.00 2.20 0.00 0.00 35.95 38.59 3phy h PHE 6 CO 0.00 -0.54 -0.24 0.41 -0.60 0.00 0.00 178.31 177.34 3phy n GLY 7 N -1.47 0.72 1.61 -1.45 0.00 -1.22 -4.43 105.19 98.96 3phy n GLY 7 Ca -0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.40 -1.27 -3.45 1.61 7.64 -0.72 -4.94 113.62 112.10 3phy n SER 8 Ca -0.21 -0.86 -0.27 0.00 1.01 0.00 0.00 58.87 58.54 3phy n SER 8 Cb 0.69 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.90 2.38 -3.14 1.43 1.02 -1.26 -4.74 120.64 113.41 3phy n GLU 9 Ca 0.07 -4.58 -0.17 0.00 -0.02 0.00 0.00 57.16 52.46 3phy n GLU 9 Cb 0.27 -2.20 0.02 0.00 -0.02 0.00 0.00 31.44 29.50 3phy n GLU 9 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3phy n ASP 10 N 0.97 -6.79 -0.05 1.62 2.03 -1.26 -4.81 116.55 108.26 3phy n ASP 10 Ca 0.29 0.39 -0.02 0.00 0.52 0.00 0.00 54.79 55.97 3phy n ASP 10 Cb 0.41 -3.24 -0.01 0.00 -0.72 0.00 0.00 41.12 37.57 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3phy h ILE 11 N 2.52 0.00 -0.66 5.18 1.08 -1.95 -3.11 117.51 120.57 3phy h ILE 11 Ca -0.21 -0.80 0.19 0.00 -0.39 0.00 0.00 64.86 63.65 3phy h ILE 11 Cb 1.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3phy h ILE 11 CO 0.16 0.00 0.87 1.05 -0.69 0.00 0.00 178.15 179.53 3phy h GLU 12 N -0.80 0.00 0.09 2.37 4.11 -1.97 0.38 114.58 118.76 3phy h GLU 12 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 3phy h GLU 12 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3phy h GLU 12 CO 0.00 0.00 -0.74 -0.97 0.07 0.00 0.00 179.01 177.37 3phy h ASN 13 N 0.00 0.30 0.46 3.06 -0.73 -1.94 -3.17 115.58 113.57 3phy h ASN 13 Ca 0.31 -0.92 -0.02 0.00 1.87 0.00 0.00 56.30 57.54 3phy h ASN 13 Cb 2.05 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.54 3phy h ASN 13 CO -0.00 1.34 -0.22 0.74 -0.37 0.00 0.00 177.43 178.91 3phy h THR 14 N -0.56 0.21 -1.81 -3.57 2.02 -0.38 -3.00 112.91 105.82 3phy h THR 14 Ca -0.15 -0.56 0.54 0.00 0.77 0.00 0.00 66.41 67.02 3phy h THR 14 Cb 1.48 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 3phy h THR 14 CO 0.07 0.04 1.28 0.18 0.37 0.00 0.00 175.52 177.46 3phy n LEU 15 N -5.20 0.05 0.48 2.58 4.77 0.86 -0.31 117.00 120.23 3phy n LEU 15 Ca -0.09 1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 56.77 3phy n LEU 15 Cb 0.28 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 3phy n LEU 15 CO 0.24 -1.10 0.49 0.00 -1.33 0.00 0.00 177.39 175.69 3phy h ALA 16 N 1.11 -1.24 -0.91 -1.18 0.00 -1.49 -3.00 119.26 112.55 3phy h ALA 16 Ca 0.91 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 55.05 3phy h ALA 16 Cb 3.50 0.48 -0.28 0.00 0.00 0.00 0.00 17.79 21.48 3phy h ALA 16 CO -0.12 -1.15 0.63 1.17 0.00 0.00 0.00 179.25 179.78 3phy n LYS 17 N -5.56 2.20 -3.93 0.00 3.00 0.58 -4.90 118.16 109.55 3phy n LYS 17 Ca -0.15 -2.79 -0.35 0.00 -0.00 0.00 0.00 58.31 55.01 3phy n LYS 17 Cb 0.49 -2.09 -0.12 0.00 0.00 0.00 0.00 35.03 33.30 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 3phy s MET 18 N -3.09 3.72 -0.13 1.64 1.75 0.32 -4.99 119.30 118.52 3phy s MET 18 Ca 0.53 -0.46 -0.24 0.00 -1.25 0.00 0.00 55.69 54.28 3phy s MET 18 Cb 0.44 -3.22 -0.21 0.00 2.84 0.00 0.00 34.83 34.69 3phy s MET 18 CO 0.08 -0.01 0.65 0.22 -0.65 0.00 0.00 175.02 175.31 3phy h ASP 19 N 7.63 -0.01 0.00 1.11 1.82 -1.89 -3.47 116.42 121.62 3phy h ASP 19 Ca -0.37 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 55.48 3phy h ASP 19 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 3phy h ASP 19 CO 0.61 0.88 0.00 0.47 -1.61 0.00 0.00 179.24 179.59 3phy n ASP 20 N -4.66 0.00 -1.72 2.28 9.92 -1.26 -4.88 116.55 116.23 3phy n ASP 20 Ca -0.08 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.08 3phy n ASP 20 Cb 0.38 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.09 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 21 N 0.00 4.31 0.13 0.44 0.00 -1.26 -4.44 105.19 104.36 3phy n GLY 21 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3phy n GLY 21 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3phy h GLN 22 N 1.59 0.22 -1.91 1.61 4.15 -1.94 -3.41 115.11 115.42 3phy h GLN 22 Ca 0.34 -0.37 -0.48 0.00 0.77 0.00 0.00 58.65 58.91 3phy h GLN 22 Cb 2.22 0.14 -0.40 0.00 0.21 0.00 0.00 27.48 29.65 3phy h GLN 22 CO 0.70 1.06 -1.15 1.28 -1.93 0.00 0.00 178.83 178.80 3phy n LEU 23 N -3.39 1.26 -0.23 -2.39 4.77 -1.26 -4.88 117.00 110.88 3phy n LEU 23 Ca -0.27 -4.93 0.14 0.00 -0.03 0.00 0.00 56.01 50.92 3phy n LEU 23 Cb 1.05 0.56 0.65 0.00 -2.33 0.00 0.00 43.42 43.35 3phy n LEU 23 CO 0.44 2.22 0.91 -0.90 -1.33 0.00 0.00 177.39 178.73 3phy n ASP 24 N 0.19 0.77 -1.31 -1.43 5.75 -1.26 -3.66 116.55 115.60 3phy n ASP 24 Ca 0.24 -1.04 0.02 0.00 -0.01 0.00 0.00 54.79 54.00 3phy n ASP 24 Cb 0.65 -0.01 0.20 0.00 -1.03 0.00 0.00 41.12 40.94 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 25 N 1.18 2.43 3.76 6.12 0.00 -1.26 -4.00 105.19 113.42 3phy n GLY 25 Ca 0.18 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3phy s LEU 26 N -1.53 4.61 0.00 0.99 1.43 -1.24 -4.91 118.68 118.04 3phy s LEU 26 Ca 0.30 1.85 0.18 0.00 -1.03 0.00 0.00 54.13 55.43 3phy s LEU 26 Cb 0.23 -3.55 1.07 0.00 0.03 0.00 0.00 46.19 43.98 3phy s LEU 26 CO 0.08 0.16 1.63 0.00 0.23 0.00 0.00 176.35 178.45 3phy n ALA 27 N 1.46 2.52 -2.79 4.21 0.00 -1.26 -4.68 120.51 119.96 3phy n ALA 27 Ca -0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 3phy n ALA 27 Cb 0.48 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -2.00 0.40 0.05 0.00 -0.71 -1.26 -3.31 117.98 111.15 3phy s PHE 28 Ca 0.27 -0.08 -0.31 0.00 -1.04 0.00 0.00 56.93 55.78 3phy s PHE 28 Cb 0.12 -0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 3phy s PHE 28 CO 0.21 -0.01 1.21 0.20 -1.34 0.00 0.00 175.22 175.48 3phy s GLY 29 N -0.08 2.36 -0.30 1.99 0.00 -0.97 -4.66 107.32 105.66 3phy s GLY 29 Ca 0.01 0.84 -0.10 0.00 0.00 0.00 0.00 44.72 45.47 3phy s GLY 29 CO -0.00 2.07 0.16 0.00 0.00 0.00 0.00 173.10 175.33 3phy s ALA 30 N 1.18 3.34 0.03 3.20 0.00 -1.11 -1.78 121.76 126.62 3phy s ALA 30 Ca 0.59 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 51.33 3phy s ALA 30 Cb -0.29 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3phy s ALA 30 CO 0.29 -0.78 -0.17 0.96 0.00 0.00 0.00 175.76 176.06 3phy s ILE 31 N 1.66 2.84 0.39 0.00 -5.25 -1.18 -3.39 121.20 116.27 3phy s ILE 31 Ca 0.06 -1.11 0.08 0.00 -0.99 0.00 0.00 60.65 58.68 3phy s ILE 31 Cb -0.17 -2.18 -0.03 0.00 2.95 0.00 0.00 42.46 43.03 3phy s ILE 31 CO 0.07 0.38 0.30 -1.58 -1.79 0.00 0.00 174.94 172.32 3phy s GLN 32 N -1.33 2.48 -0.23 0.37 0.74 -0.75 -1.62 119.66 119.32 3phy s GLN 32 Ca 0.14 -1.56 -0.18 0.00 0.05 0.00 0.00 55.36 53.82 3phy s GLN 32 Cb -0.11 -2.29 0.06 0.00 1.10 0.00 0.00 33.01 31.78 3phy s GLN 32 CO 0.05 -0.09 0.59 -0.51 -0.55 0.00 0.00 175.29 174.77 3phy s LEU 33 N -4.03 -0.42 0.65 3.68 1.43 0.32 -3.16 118.68 117.14 3phy s LEU 33 Ca 0.44 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 3phy s LEU 33 Cb -0.02 2.02 0.09 0.00 0.03 0.00 0.00 46.19 48.32 3phy s LEU 33 CO 0.26 -0.21 0.89 -0.62 0.23 0.00 0.00 176.35 176.90 3phy s ASP 34 N 0.83 4.73 0.19 2.29 2.15 0.34 -1.81 116.67 125.38 3phy s ASP 34 Ca -0.04 -0.38 -0.23 0.00 0.43 0.00 0.00 52.55 52.33 3phy s ASP 34 Cb -0.05 -0.17 0.09 0.00 -0.30 0.00 0.00 42.92 42.49 3phy s ASP 34 CO -0.07 -1.57 1.57 1.23 -0.17 0.00 0.00 175.17 176.16 3phy h GLY 35 N -0.23 -0.29 2.00 2.66 0.00 -1.90 0.82 103.07 106.14 3phy h GLY 35 Ca -0.37 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3phy h GLY 35 CO 0.43 -0.17 0.00 -0.55 0.00 0.00 0.00 176.54 176.25 3phy h ASP 36 N -0.15 0.00 0.00 0.19 5.19 -2.03 -3.44 116.42 116.18 3phy h ASP 36 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3phy h ASP 36 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3phy h ASP 36 CO -0.76 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 175.97 3phy n GLY 37 N -1.05 1.92 3.72 2.75 0.00 0.29 -4.96 105.19 107.86 3phy n GLY 37 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 6.99 0.21 1.61 -0.87 -1.21 -2.60 114.94 117.08 3phy s ASN 38 Ca 0.00 1.19 -0.31 0.00 -1.57 0.00 0.00 52.86 52.17 3phy s ASN 38 Cb 0.00 -2.41 -0.11 0.00 -0.02 0.00 0.00 41.25 38.71 3phy s ASN 38 CO 0.00 -0.12 1.59 -0.51 -2.57 0.00 0.00 177.10 175.50 3phy s ILE 39 N 0.79 2.37 -0.03 0.60 1.10 -1.19 -0.51 121.20 124.34 3phy s ILE 39 Ca 0.38 0.28 0.17 0.00 -0.51 0.00 0.00 60.65 60.97 3phy s ILE 39 Cb -0.18 -3.18 -0.26 0.00 0.15 0.00 0.00 42.46 38.99 3phy s ILE 39 CO 0.18 0.03 0.37 0.18 -2.11 0.00 0.00 174.94 173.59 3phy n LEU 40 N 3.38 0.01 -3.58 8.50 4.32 -1.19 -3.71 117.00 124.73 3phy n LEU 40 Ca 0.12 -0.01 -0.11 0.00 -0.02 0.00 0.00 56.01 56.00 3phy n LEU 40 Cb 0.38 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 3phy n LEU 40 CO 0.62 0.00 0.28 -1.58 -1.22 0.00 0.00 177.39 175.49 3phy s GLN 41 N -3.15 1.22 0.30 3.23 -0.44 -1.26 -4.93 119.66 114.64 3phy s GLN 41 Ca -0.06 -0.65 0.00 0.00 -2.50 0.00 0.00 55.36 52.15 3phy s GLN 41 Cb 0.11 0.53 0.00 0.00 -1.64 0.00 0.00 33.01 32.00 3phy s GLN 41 CO 0.69 -0.51 0.00 0.98 0.50 0.00 0.00 175.29 176.95 3phy n TYR 42 N -0.31 -3.01 0.00 1.67 9.36 -1.22 -1.81 117.16 121.84 3phy n TYR 42 Ca -0.15 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.83 3phy n TYR 42 Cb 0.64 1.71 0.00 0.00 -0.63 0.00 0.00 39.34 41.06 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 -3.30 0.00 0.02 2.98 6.94 -1.26 -2.75 115.26 117.88 3phy n ASN 43 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 3phy n ASN 43 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 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 1.08 3.15 0.20 -2.53 0.00 -1.26 -4.19 120.51 116.95 3phy n ALA 44 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 3phy n ALA 44 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 2.27 -1.03 0.47 0.00 0.00 -1.84 0.32 119.26 119.46 3phy h ALA 45 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3phy h ALA 45 Cb 0.87 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3phy h ALA 45 CO 0.00 -1.04 -0.33 1.05 0.00 0.00 0.00 179.25 178.93 3phy h GLU 46 N -0.66 -0.76 0.00 0.00 4.11 -1.83 -0.03 114.58 115.42 3phy h GLU 46 Ca -0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3phy h GLU 46 Cb 0.57 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3phy h GLU 46 CO -0.02 -0.50 0.20 0.78 0.07 0.00 0.00 179.01 179.54 3phy h GLY 47 N -0.78 0.00 0.90 1.06 0.00 -1.66 0.51 103.07 103.09 3phy h GLY 47 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 3phy h GLY 47 CO 0.02 0.00 -0.32 -1.80 0.00 0.00 0.00 176.54 174.44 3phy h ASP 48 N 0.00 0.64 0.00 0.19 3.58 0.17 0.37 116.42 121.36 3phy h ASP 48 Ca 0.00 -0.52 -0.05 0.00 0.42 0.00 0.00 57.03 56.88 3phy h ASP 48 Cb 0.41 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3phy h ASP 48 CO 0.00 1.04 -0.41 0.40 -2.88 0.00 0.00 179.24 177.38 3phy h ILE 49 N 0.25 0.54 0.00 2.25 5.03 -0.87 -3.36 117.51 121.35 3phy h ILE 49 Ca 0.02 -1.51 -0.00 0.00 -0.12 0.00 0.00 64.86 63.25 3phy h ILE 49 Cb 0.91 1.12 -0.00 0.00 -3.03 0.00 0.00 36.82 35.81 3phy h ILE 49 CO 0.07 0.18 -0.01 0.71 -0.68 0.00 0.00 178.15 178.42 3phy h THR 50 N -1.00 0.03 0.00 -0.27 1.35 -1.33 -3.46 112.91 108.23 3phy h THR 50 Ca -0.07 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3phy h THR 50 Cb 0.62 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3phy h THR 50 CO -0.04 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 3phy n GLY 51 N 0.34 1.76 3.55 5.82 0.00 0.13 -4.94 105.19 111.84 3phy n GLY 51 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.63 -0.78 1.61 1.74 -1.21 -4.87 116.66 111.78 3phy n ARG 52 Ca 0.00 -0.47 -0.31 0.00 -0.77 0.00 0.00 57.85 56.30 3phy n ARG 52 Cb 0.00 -3.28 0.16 0.00 -1.02 0.00 0.00 32.46 28.32 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 10.31 3.10 -0.06 0.55 1.11 -1.26 -3.92 116.67 126.49 3phy s ASP 53 Ca 1.00 2.18 -0.01 0.00 0.18 0.00 0.00 52.55 55.90 3phy s ASP 53 Cb -0.27 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.15 3phy s ASP 53 CO 0.20 -2.99 0.07 1.55 1.18 0.00 0.00 175.17 175.18 3phy h PRO 54 N -1.73 -0.04 -0.01 8.23 0.13 -1.91 -1.88 132.00 134.79 3phy h PRO 54 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3phy h PRO 54 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3phy h PRO 54 CO 0.43 -0.03 0.20 0.87 -0.23 0.00 0.00 178.00 179.23 3phy h LYS 55 N -0.70 0.00 0.03 0.86 1.57 -1.95 0.03 116.57 116.41 3phy h LYS 55 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 3phy h LYS 55 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3phy h LYS 55 CO 0.01 0.00 -1.48 1.04 -0.57 0.00 0.00 179.45 178.45 3phy n GLN 56 N -3.00 0.62 0.00 3.15 6.02 -1.25 -3.93 117.38 118.99 3phy n GLN 56 Ca -0.02 0.49 0.10 0.00 -0.01 0.00 0.00 57.00 57.55 3phy n GLN 56 Cb 0.26 -1.73 0.51 0.00 1.02 0.00 0.00 30.24 30.29 3phy n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3phy n VAL 57 N -4.18 0.35 -2.18 5.09 0.24 -0.71 -4.58 118.33 112.37 3phy n VAL 57 Ca -0.32 0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 3phy n VAL 57 Cb 0.78 -0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 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 -2.49 3.62 0.00 1.34 1.01 -0.05 -1.55 121.20 123.08 3phy s ILE 58 Ca 0.20 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3phy s ILE 58 Cb 0.13 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3phy s ILE 58 CO 0.29 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3phy n GLY 59 N 3.71 2.65 3.75 6.18 0.00 -1.24 -4.99 105.19 115.25 3phy n GLY 59 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.66 4.76 -0.57 1.61 -0.14 -0.59 -4.75 119.74 119.40 3phy s LYS 60 Ca 0.00 1.55 -0.28 0.00 -1.36 0.00 0.00 55.97 55.89 3phy s LYS 60 Cb 0.00 -3.29 0.01 0.00 -1.68 0.00 0.00 37.83 32.87 3phy s LYS 60 CO 0.00 0.36 1.47 -0.80 -0.76 0.00 0.00 175.35 175.62 3phy s ASN 61 N -0.76 6.03 0.65 2.83 0.01 -1.26 -3.14 114.94 119.30 3phy s ASN 61 Ca 0.44 0.27 0.40 0.00 -0.71 0.00 0.00 52.86 53.27 3phy s ASN 61 Cb -0.27 -2.54 2.20 0.00 0.41 0.00 0.00 41.25 41.05 3phy s ASN 61 CO 0.33 -1.79 2.24 0.15 -1.51 0.00 0.00 177.10 176.52 3phy h PHE 62 N 11.48 0.00 0.02 2.20 3.57 -1.86 0.68 116.94 133.04 3phy h PHE 62 Ca -0.27 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.07 3phy h PHE 62 Cb 1.10 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3phy h PHE 62 CO 1.04 0.00 -0.87 0.74 -2.23 0.00 0.00 178.31 176.99 3phy h PHE 63 N 0.00 0.09 -0.47 0.41 0.04 -1.80 -2.87 116.94 112.35 3phy h PHE 63 Ca 0.00 -0.07 -0.34 0.00 2.80 0.00 0.00 57.97 60.36 3phy h PHE 63 Cb 0.15 -0.00 -0.35 0.00 2.20 0.00 0.00 35.95 37.95 3phy h PHE 63 CO 0.00 1.34 -0.87 0.36 -0.60 0.00 0.00 178.31 178.54 3phy n LYS 64 N -4.39 2.42 0.00 1.51 2.85 -1.09 -3.86 118.16 115.61 3phy n LYS 64 Ca -0.23 -3.64 0.00 0.00 -1.05 0.00 0.00 58.31 53.39 3phy n LYS 64 Cb 0.66 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.63 0.00 -0.02 -5.58 -0.08 0.22 -4.88 116.55 105.58 3phy n ASP 65 Ca 0.26 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.49 3phy n ASP 65 Cb 0.89 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.34 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 -0.59 1.29 -3.55 5.18 0.31 -0.34 -4.82 118.33 115.81 3phy n VAL 66 Ca 0.00 0.23 -0.41 0.00 -0.01 0.00 0.00 64.34 64.15 3phy n VAL 66 Cb 0.00 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 30.92 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 -2.40 3.36 -2.00 3.52 0.00 -1.08 -4.93 121.76 118.22 3phy s ALA 67 Ca -0.14 -2.08 0.16 0.00 0.00 0.00 0.00 51.96 49.90 3phy s ALA 67 Cb 0.02 -2.75 0.98 0.00 0.00 0.00 0.00 23.12 21.37 3phy s ALA 67 CO 0.20 -1.63 1.51 -0.35 0.00 0.00 0.00 175.76 175.49 3phy n PRO 68 N 5.00 0.83 -0.00 0.00 -0.04 -1.26 -2.98 135.00 136.55 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 0.43 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.79 0.10 -1.97 0.00 -2.24 -1.16 -4.07 114.28 103.15 3phy n THR 70 Ca -0.01 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3phy n THR 70 Cb 0.32 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.31 7.34 -4.02 3.42 2.03 -1.25 -1.17 116.55 122.60 3phy n ASP 71 Ca 0.12 -3.66 -0.27 0.00 0.52 0.00 0.00 54.79 51.50 3phy n ASP 71 Cb 0.14 -1.13 -0.07 0.00 -0.72 0.00 0.00 41.12 39.34 3phy n ASP 71 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3phy n SER 72 N -0.08 1.44 0.00 1.67 3.41 -1.26 -4.89 113.62 113.91 3phy n SER 72 Ca 0.52 -3.24 0.11 0.00 -0.26 0.00 0.00 58.87 56.00 3phy n SER 72 Cb 0.29 1.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.92 3phy n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3phy n PRO 73 N -0.98 0.91 -0.04 4.33 -0.04 -1.26 -0.17 135.00 137.76 3phy n PRO 73 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 3phy n PRO 73 Cb 0.63 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.89 1.89 0.00 0.54 4.71 -1.26 -3.84 120.64 121.79 3phy n GLU 74 Ca 0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3phy n GLU 74 Cb 0.08 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3phy n PHE 75 N -2.29 0.00 0.33 -0.32 -0.00 -1.20 -4.10 117.46 109.87 3phy n PHE 75 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.46 3phy n PHE 75 Cb 0.73 0.00 0.64 0.00 -0.00 0.00 0.00 39.48 40.85 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 0.59 -5.13 3.20 -0.15 -2.98 116.97 112.50 3phy h TYR 76 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3phy h TYR 76 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 3phy h TYR 76 CO 0.00 0.00 -0.28 0.78 -1.64 0.00 0.00 178.16 177.02 3phy h GLY 77 N 1.85 -0.83 2.00 1.82 0.00 -0.66 0.16 103.07 107.41 3phy h GLY 77 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3phy h GLY 77 CO 0.00 -0.30 0.00 0.50 0.00 0.00 0.00 176.54 176.74 3phy h LYS 78 N -0.93 0.00 0.22 4.80 1.79 -1.66 -1.63 116.57 119.15 3phy h LYS 78 Ca -0.08 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.05 3phy h LYS 78 Cb 0.61 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.28 3phy h LYS 78 CO 0.13 0.00 -1.57 0.35 -1.08 0.00 0.00 179.45 177.28 3phy h PHE 79 N 0.00 0.84 0.00 -1.35 3.04 -1.33 -1.55 116.94 116.60 3phy h PHE 79 Ca 0.00 -0.62 0.00 0.00 3.98 0.00 0.00 57.97 61.33 3phy h PHE 79 Cb 0.07 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3phy h PHE 79 CO 0.00 1.58 0.00 1.63 -2.02 0.00 0.00 178.31 179.50 3phy n LYS 80 N -3.65 0.11 -0.09 1.11 5.02 0.02 -1.57 118.16 119.10 3phy n LYS 80 Ca -0.19 0.19 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3phy n LYS 80 Cb 1.09 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.84 0.67 -0.29 1.97 0.28 -0.98 -3.36 120.64 117.08 3phy n GLU 81 Ca 0.05 0.20 -0.05 0.00 -0.16 0.00 0.00 57.16 57.20 3phy n GLU 81 Cb 0.31 -1.58 0.07 0.00 1.43 0.00 0.00 31.44 31.67 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 1.46 1.28 1.00 -1.84 0.00 -1.25 0.63 103.07 104.36 3phy h GLY 82 Ca -0.54 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.08 3phy h GLY 82 CO -0.07 0.65 -0.21 -2.08 0.00 0.00 0.00 176.54 174.83 3phy h VAL 83 N 1.17 0.57 0.00 4.60 2.07 -1.46 -1.75 116.25 121.46 3phy h VAL 83 Ca 0.27 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3phy h VAL 83 Cb 0.20 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3phy h VAL 83 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 3phy n ALA 84 N -2.35 2.48 -0.01 1.67 0.00 -1.07 -3.26 120.51 117.97 3phy n ALA 84 Ca -0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 3phy n ALA 84 Cb 0.25 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.11 1.39 0.00 0.00 2.88 0.22 -4.98 113.62 112.02 3phy n SER 85 Ca 0.18 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 3phy n SER 85 Cb 0.14 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.75 0.86 2.67 0.46 0.00 -0.73 -4.97 105.19 105.23 3phy n GLY 86 Ca -0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 3phy n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3phy n ASN 87 N 0.44 -1.36 -4.67 1.61 0.23 -1.20 -5.01 115.26 105.29 3phy n ASN 87 Ca 0.00 -1.96 -0.52 0.00 -0.53 0.00 0.00 54.58 51.57 3phy n ASN 87 Cb 0.00 1.03 -0.06 0.00 -2.08 0.00 0.00 39.78 38.68 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3phy n LEU 88 N 0.94 2.66 -3.17 -4.53 0.00 -1.22 -4.81 117.00 106.88 3phy n LEU 88 Ca -0.02 1.05 0.01 0.00 0.00 0.00 0.00 56.01 57.06 3phy n LEU 88 Cb 0.73 -1.26 -0.01 0.00 0.00 0.00 0.00 43.42 42.88 3phy n LEU 88 CO -0.10 -0.42 0.12 0.21 0.00 0.00 0.00 177.39 177.19 3phy s ASN 89 N 2.67 -1.45 0.29 1.96 2.47 -1.25 -1.36 114.94 118.26 3phy s ASN 89 Ca 0.91 -0.77 -0.12 0.00 0.42 0.00 0.00 52.86 53.30 3phy s ASN 89 Cb -0.87 1.86 0.01 0.00 -1.45 0.00 0.00 41.25 40.79 3phy s ASN 89 CO 0.53 -0.16 0.55 0.28 -3.72 0.00 0.00 177.10 174.59 3phy s THR 90 N 1.83 0.00 0.33 -5.21 -1.32 -0.81 -5.02 115.64 105.44 3phy s THR 90 Ca 0.16 -1.34 -0.17 0.00 -1.21 0.00 0.00 61.69 59.14 3phy s THR 90 Cb -0.03 -2.34 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 3phy s THR 90 CO -0.07 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.05 3phy s MET 91 N -3.61 1.98 0.00 7.08 0.23 -1.26 -1.01 119.30 122.71 3phy s MET 91 Ca 0.22 -1.26 0.00 0.00 -1.03 0.00 0.00 55.69 53.61 3phy s MET 91 Cb -0.02 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.88 3phy s MET 91 CO 0.11 -0.91 0.00 1.97 -2.03 0.00 0.00 175.02 174.16 3phy n PHE 92 N -0.49 0.00 -2.62 3.16 1.16 -1.18 -4.99 117.46 112.51 3phy n PHE 92 Ca -0.05 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.10 3phy n PHE 92 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 3phy n PHE 92 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 3phy s GLU 93 N -2.00 4.10 0.47 3.97 -1.05 -1.26 -1.76 118.70 121.17 3phy s GLU 93 Ca 0.00 1.17 0.03 0.00 -0.15 0.00 0.00 54.97 56.02 3phy s GLU 93 Cb 0.00 -3.73 -0.04 0.00 -0.44 0.00 0.00 34.13 29.92 3phy s GLU 93 CO 0.00 -0.86 0.01 -0.47 0.95 0.00 0.00 175.26 174.89 3phy s TYR 94 N 3.61 2.11 -0.21 4.83 5.04 -0.81 -4.98 117.35 126.94 3phy s TYR 94 Ca 0.46 -0.85 -0.04 0.00 -2.44 0.00 0.00 57.07 54.21 3phy s TYR 94 Cb -0.13 -1.67 0.11 0.00 0.35 0.00 0.00 41.96 40.61 3phy s TYR 94 CO 0.14 0.30 0.27 0.99 -1.34 0.00 0.00 175.55 175.92 3phy s THR 95 N -2.82 -0.42 -0.24 4.34 2.01 -1.26 -2.25 115.64 115.00 3phy s THR 95 Ca 0.17 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 3phy s THR 95 Cb 0.05 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.85 3phy s THR 95 CO 0.09 -0.17 1.04 -0.36 -0.69 0.00 0.00 174.62 174.52 3phy s PHE 96 N 2.40 3.33 -0.30 4.92 0.08 -0.84 -4.85 117.98 122.72 3phy s PHE 96 Ca 0.09 1.44 0.15 0.00 0.12 0.00 0.00 56.93 58.73 3phy s PHE 96 Cb -0.16 -3.29 0.48 0.00 -0.57 0.00 0.00 43.02 39.48 3phy s PHE 96 CO -0.13 -0.49 1.12 -0.40 -0.10 0.00 0.00 175.22 175.21 3phy n ASP 97 N 6.34 3.02 -4.54 1.36 5.68 -1.26 -1.47 116.55 125.68 3phy n ASP 97 Ca 0.12 -2.88 -0.41 0.00 -0.50 0.00 0.00 54.79 51.13 3phy n ASP 97 Cb 0.46 -0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 39.99 3phy n ASP 97 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3phy n TYR 98 N -0.55 4.30 -3.79 2.11 0.18 -1.26 -4.22 117.16 113.92 3phy n TYR 98 Ca 0.23 -2.62 -0.29 0.00 1.88 0.00 0.00 57.90 57.10 3phy n TYR 98 Cb 0.84 -2.63 0.02 0.00 -0.38 0.00 0.00 39.34 37.19 3phy n TYR 98 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3phy n GLN 99 N 8.28 -4.95 -1.13 -3.48 10.64 -1.26 -4.91 117.38 120.58 3phy n GLN 99 Ca 0.48 0.58 0.00 0.00 -1.83 0.00 0.00 57.00 56.23 3phy n GLN 99 Cb 0.46 -5.43 0.00 0.00 -0.86 0.00 0.00 30.24 24.41 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 -4.47 0.00 -2.07 2.61 1.56 -1.26 -5.14 117.12 108.35 3phy n MET 100 Ca 0.03 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.11 3phy n MET 100 Cb 0.53 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.92 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 -2.71 2.87 -1.17 1.12 -1.32 -1.26 -4.78 115.64 108.39 3phy s THR 101 Ca 0.00 0.53 -0.21 0.00 -1.21 0.00 0.00 61.69 60.79 3phy s THR 101 Cb 0.00 -3.19 -0.01 0.00 -1.51 0.00 0.00 72.50 67.79 3phy s THR 101 CO 0.00 -0.13 1.81 -2.16 -2.21 0.00 0.00 174.62 171.93 3phy s PRO 102 N -3.39 3.15 -0.65 7.08 0.04 -1.25 -4.49 135.00 135.50 3phy s PRO 102 Ca 0.75 -1.34 -0.26 0.00 0.04 0.00 0.00 61.00 60.19 3phy s PRO 102 Cb -0.27 -5.34 -0.02 0.00 0.04 0.00 0.00 34.50 28.91 3phy s PRO 102 CO 0.32 -3.09 1.86 0.99 0.04 0.00 0.00 177.00 177.12 3phy s THR 103 N 7.81 3.37 0.16 1.26 2.01 -0.54 -4.76 115.64 124.95 3phy s THR 103 Ca 0.61 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 3phy s THR 103 Cb 0.00 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 3phy s THR 103 CO 0.07 -0.93 1.19 -0.75 -0.69 0.00 0.00 174.62 173.51 3phy s LYS 104 N 7.02 4.49 -0.06 4.92 2.47 -1.26 -1.99 119.74 135.32 3phy s LYS 104 Ca 0.67 1.84 -0.14 0.00 -1.56 0.00 0.00 55.97 56.78 3phy s LYS 104 Cb -0.12 -3.27 0.03 0.00 -1.46 0.00 0.00 37.83 33.01 3phy s LYS 104 CO 0.18 -0.11 0.34 0.14 0.16 0.00 0.00 175.35 176.06 3phy s VAL 105 N 0.19 0.03 -0.32 4.02 -7.23 -0.96 -1.53 120.40 114.61 3phy s VAL 105 Ca 0.54 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 3phy s VAL 105 Cb -0.32 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 3phy s VAL 105 CO 0.35 -0.16 0.45 -1.59 -0.31 0.00 0.00 175.10 173.84 3phy s LYS 106 N -0.77 3.76 0.54 4.82 0.00 -0.74 -1.92 119.74 125.43 3phy s LYS 106 Ca -0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 55.97 55.74 3phy s LYS 106 Cb -0.04 -3.75 0.00 0.00 0.00 0.00 0.00 37.83 34.04 3phy s LYS 106 CO 0.03 -0.50 0.83 0.14 0.00 0.00 0.00 175.35 175.85 3phy s VAL 107 N 2.24 3.83 -0.04 1.79 -7.23 -0.72 -1.72 120.40 118.54 3phy s VAL 107 Ca 0.17 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 3phy s VAL 107 Cb -0.16 -3.49 0.02 0.00 0.56 0.00 0.00 36.38 33.31 3phy s VAL 107 CO 0.12 -0.45 0.24 -2.28 -0.31 0.00 0.00 175.10 172.42 3phy s HIS 108 N -2.85 -0.15 -0.17 2.82 5.04 -0.18 -3.07 115.29 116.72 3phy s HIS 108 Ca 0.52 0.28 -0.14 0.00 -1.54 0.00 0.00 55.06 54.18 3phy s HIS 108 Cb -0.10 0.05 0.05 0.00 0.04 0.00 0.00 32.58 32.62 3phy s HIS 108 CO 0.43 -0.28 0.44 -1.64 -2.34 0.00 0.00 174.74 171.35 3phy s MET 109 N -0.89 0.50 0.09 2.88 1.00 -0.18 -0.06 119.30 122.64 3phy s MET 109 Ca -0.10 0.66 -0.13 0.00 0.00 0.00 0.00 55.69 56.13 3phy s MET 109 Cb -0.05 0.20 0.02 0.00 0.00 0.00 0.00 34.83 35.00 3phy s MET 109 CO 0.02 -0.08 0.30 0.21 0.00 0.00 0.00 175.02 175.47 3phy s LYS 110 N 0.49 0.93 -0.38 2.03 2.20 -0.39 -1.92 119.74 122.68 3phy s LYS 110 Ca -0.02 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 3phy s LYS 110 Cb -0.04 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3phy s LYS 110 CO -0.02 -0.33 1.56 0.21 -0.36 0.00 0.00 175.35 176.41 3phy s LYS 111 N -3.56 3.48 1.11 4.03 2.20 -0.46 -1.69 119.74 124.86 3phy s LYS 111 Ca 0.02 1.11 -0.17 0.00 -0.36 0.00 0.00 55.97 56.57 3phy s LYS 111 Cb 0.02 -4.09 0.25 0.00 -1.51 0.00 0.00 37.83 32.50 3phy s LYS 111 CO -0.10 -1.68 1.15 0.00 -0.36 0.00 0.00 175.35 174.36 3phy s ALA 112 N 5.99 1.03 -1.83 3.13 0.00 0.33 -3.74 121.76 126.68 3phy s ALA 112 Ca 0.68 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3phy s ALA 112 Cb -0.17 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3phy s ALA 112 CO 0.33 -3.19 0.00 -0.11 0.00 0.00 0.00 175.76 172.79 3phy n LEU 113 N -4.44 -1.34 -1.96 0.00 0.00 -1.26 -1.60 117.00 106.40 3phy n LEU 113 Ca 0.12 0.39 -0.16 0.00 0.00 0.00 0.00 56.01 56.35 3phy n LEU 113 Cb 0.59 -2.50 -0.04 0.00 0.00 0.00 0.00 43.42 41.48 3phy n LEU 113 CO 0.48 -0.84 -0.18 -1.20 0.00 0.00 0.00 177.39 175.64 3phy n SER 114 N -0.89 -4.56 0.00 1.96 7.64 -1.25 -4.28 113.62 112.24 3phy n SER 114 Ca -0.18 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3phy n SER 114 Cb 0.59 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 3phy n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 115 N -0.61 0.50 0.00 0.23 0.00 -0.63 -5.07 105.19 99.61 3phy n GLY 115 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3phy n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3phy n ASP 116 N 0.00 0.00 -4.86 1.61 2.03 -0.90 -5.04 116.55 109.39 3phy n ASP 116 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 3phy n ASP 116 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3phy n ASP 116 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3phy s SER 117 N 0.00 4.44 -0.04 1.67 0.01 -0.83 -4.86 113.70 114.08 3phy s SER 117 Ca 0.00 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 55.83 3phy s SER 117 Cb 0.00 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.81 3phy s SER 117 CO 0.00 -1.06 -0.08 -0.31 0.41 0.00 0.00 173.24 172.20 3phy s TYR 118 N -2.84 0.97 0.07 2.43 2.02 -0.75 -0.51 117.35 118.74 3phy s TYR 118 Ca 0.21 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3phy s TYR 118 Cb -0.01 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 3phy s TYR 118 CO 0.13 -0.17 -0.07 1.67 -1.57 0.00 0.00 175.55 175.54 3phy s TRP 119 N 0.58 0.75 -0.17 2.71 1.48 -0.68 0.12 118.94 123.73 3phy s TRP 119 Ca -0.09 -0.73 -0.05 0.00 -1.06 0.00 0.00 56.10 54.17 3phy s TRP 119 Cb -0.13 -0.45 0.06 0.00 -1.16 0.00 0.00 33.47 31.80 3phy s TRP 119 CO 0.01 -0.14 0.10 0.08 -4.06 0.00 0.00 176.95 172.95 3phy s VAL 120 N -2.58 -0.11 -0.04 -0.66 1.01 -0.64 -1.27 120.40 116.12 3phy s VAL 120 Ca 0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 3phy s VAL 120 Cb -0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3phy s VAL 120 CO -0.03 -0.28 0.49 -0.36 0.00 0.00 0.00 175.10 174.92 3phy s PHE 121 N 2.15 3.65 -0.24 5.22 0.08 0.92 -3.10 117.98 126.66 3phy s PHE 121 Ca 0.03 1.03 -0.05 0.00 0.12 0.00 0.00 56.93 58.06 3phy s PHE 121 Cb -0.16 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.80 3phy s PHE 121 CO -0.10 0.40 -0.01 0.08 -0.10 0.00 0.00 175.22 175.49 3phy s VAL 122 N -0.25 3.62 -0.48 -0.44 1.01 -0.73 -1.01 120.40 122.12 3phy s VAL 122 Ca 0.27 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 3phy s VAL 122 Cb -0.17 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3phy s VAL 122 CO 0.14 0.36 0.79 -0.75 0.00 0.00 0.00 175.10 175.63 3phy s LYS 123 N 1.50 3.34 -0.14 2.72 2.47 -0.70 -2.28 119.74 126.65 3phy s LYS 123 Ca 0.05 -0.26 -0.29 0.00 -1.56 0.00 0.00 55.97 53.91 3phy s LYS 123 Cb -0.15 -3.98 -0.04 0.00 -1.46 0.00 0.00 37.83 32.20 3phy s LYS 123 CO -0.01 -1.20 1.68 0.50 0.16 0.00 0.00 175.35 176.48 3phy s ARG 124 N 3.31 3.92 0.00 4.03 3.52 -1.21 -1.79 118.95 130.74 3phy s ARG 124 Ca 0.27 1.94 0.29 0.00 -0.13 0.00 0.00 55.73 58.10 3phy s ARG 124 Cb -0.13 -4.04 1.16 0.00 -1.56 0.00 0.00 34.95 30.38 3phy s ARG 124 CO 0.20 -1.15 1.81 0.28 -0.81 0.00 0.00 175.30 175.63