#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy n GLU 2 N 0.00 -1.13 -2.58 0.03 0.00 -1.26 -2.40 120.64 113.30 3phy n GLU 2 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 57.16 57.70 3phy n GLU 2 Cb 0.00 -4.82 0.00 0.00 0.00 0.00 0.00 31.44 26.62 3phy n GLU 2 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3phy n HIS 3 N -2.49 -1.28 -2.32 4.31 -0.00 -1.26 -4.91 115.22 107.27 3phy n HIS 3 Ca -0.09 0.15 -0.42 0.00 -0.00 0.00 0.00 57.72 57.36 3phy n HIS 3 Cb 0.42 -4.14 -0.03 0.00 -0.00 0.00 0.00 29.99 26.24 3phy n HIS 3 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3phy s VAL 4 N -3.09 3.95 0.00 3.57 -7.23 -1.01 -4.87 120.40 111.73 3phy s VAL 4 Ca 0.09 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 3phy s VAL 4 Cb -0.04 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.07 3phy s VAL 4 CO 0.11 -0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.88 3phy n ALA 5 N 5.48 0.00 0.21 1.32 0.00 -1.26 -0.96 120.51 125.30 3phy n ALA 5 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3phy n ALA 5 Cb 0.45 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.67 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 0.00 0.00 0.00 0.04 -1.94 -3.39 116.94 111.65 3phy h PHE 6 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3phy h PHE 6 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3phy h PHE 6 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3phy n GLY 7 N -1.46 0.00 0.22 -1.45 0.00 -0.80 -5.06 105.19 96.64 3phy n GLY 7 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3phy n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3phy n SER 8 N 0.00 -1.65 -2.97 1.61 3.41 -0.13 -4.75 113.62 109.14 3phy n SER 8 Ca 0.00 -0.29 -0.24 0.00 -0.26 0.00 0.00 58.87 58.09 3phy n SER 8 Cb 0.00 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3phy n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3phy n GLU 9 N -2.01 2.52 -2.89 4.33 1.02 -1.26 -4.03 120.64 118.32 3phy n GLU 9 Ca 0.01 -4.35 -0.03 0.00 -0.02 0.00 0.00 57.16 52.76 3phy n GLU 9 Cb 0.04 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.10 -7.56 -0.05 1.62 8.00 -1.26 -4.79 116.55 112.41 3phy n ASP 10 Ca 0.29 0.18 -0.00 0.00 0.71 0.00 0.00 54.79 55.97 3phy n ASP 10 Cb 0.50 -5.13 -0.00 0.00 -0.02 0.00 0.00 41.12 36.48 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 1.05 0.00 -0.46 0.53 1.08 -1.97 -2.13 117.51 115.61 3phy h ILE 11 Ca 0.00 -0.94 0.13 0.00 -0.39 0.00 0.00 64.86 63.66 3phy h ILE 11 Cb 0.98 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 3phy h ILE 11 CO 0.24 0.00 0.76 -0.08 -0.69 0.00 0.00 178.15 178.38 3phy h GLU 12 N -0.94 0.00 0.10 2.37 4.81 -1.98 0.25 114.58 119.18 3phy h GLU 12 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3phy h GLU 12 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3phy h GLU 12 CO 0.00 0.00 -1.83 0.09 -0.73 0.00 0.00 179.01 176.54 3phy n ASN 13 N -3.20 2.07 0.23 1.04 4.13 -1.24 -3.89 115.26 114.40 3phy n ASN 13 Ca 0.09 0.26 -0.13 0.00 1.68 0.00 0.00 54.58 56.48 3phy n ASN 13 Cb 0.92 -0.89 -0.07 0.00 -1.54 0.00 0.00 39.78 38.20 3phy n ASN 13 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3phy h THR 14 N -0.19 0.40 -1.65 3.41 2.02 -0.08 -2.23 112.91 114.59 3phy h THR 14 Ca -0.41 -0.51 0.50 0.00 0.77 0.00 0.00 66.41 66.76 3phy h THR 14 Cb 1.86 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.76 3phy h THR 14 CO 0.02 0.07 1.16 0.18 0.37 0.00 0.00 175.52 177.31 3phy n LEU 15 N -5.22 0.06 -0.03 2.58 4.77 0.61 -1.14 117.00 118.63 3phy n LEU 15 Ca -0.10 1.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.88 3phy n LEU 15 Cb 0.30 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3phy n LEU 15 CO 0.29 -1.04 -0.09 0.00 -1.33 0.00 0.00 177.39 175.21 3phy h ALA 16 N 1.06 0.00 -0.49 -1.18 0.00 -1.62 -3.39 119.26 113.65 3phy h ALA 16 Ca 0.84 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 54.93 3phy h ALA 16 Cb 3.20 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 21.01 3phy h ALA 16 CO -0.13 0.14 1.54 1.17 0.00 0.00 0.00 179.25 181.97 3phy n LYS 17 N -3.29 3.49 -4.38 0.00 0.00 -0.56 -4.91 118.16 108.51 3phy n LYS 17 Ca -0.02 -2.73 -0.29 0.00 0.00 0.00 0.00 58.31 55.26 3phy n LYS 17 Cb 0.07 -2.41 -0.12 0.00 0.00 0.00 0.00 35.03 32.57 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 -0.91 1.68 -0.14 1.64 1.75 -0.29 -4.86 119.30 118.17 3phy s MET 18 Ca 0.58 -1.22 -0.14 0.00 -1.25 0.00 0.00 55.69 53.66 3phy s MET 18 Cb 0.27 -2.05 -0.05 0.00 2.84 0.00 0.00 34.83 35.85 3phy s MET 18 CO -0.13 0.48 -0.28 -3.47 -0.65 0.00 0.00 175.02 170.96 3phy n ASP 19 N 0.92 1.60 0.02 1.11 -0.08 -1.26 -5.04 116.55 113.82 3phy n ASP 19 Ca -0.16 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3phy n ASP 19 Cb 0.53 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.31 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3phy n ASP 20 N -4.11 -0.31 -3.61 1.67 2.03 -1.26 -4.98 116.55 105.98 3phy n ASP 20 Ca -0.11 0.08 -0.41 0.00 0.52 0.00 0.00 54.79 54.87 3phy n ASP 20 Cb 0.41 0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 41.44 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 -1.37 4.99 0.60 0.27 0.00 -1.26 -4.05 105.19 104.37 3phy n GLY 21 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3phy n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3phy n GLN 22 N 2.65 0.00 0.04 1.61 6.02 -1.26 -4.86 117.38 121.58 3phy n GLN 22 Ca 0.55 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.67 3phy n GLN 22 Cb 0.29 -0.19 0.44 0.00 1.02 0.00 0.00 30.24 31.80 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 3phy n LEU 23 N -1.80 0.43 -0.57 1.08 -0.00 -1.26 -3.29 117.00 111.59 3phy n LEU 23 Ca 0.00 0.42 0.13 0.00 -0.00 0.00 0.00 56.01 56.57 3phy n LEU 23 Cb 0.00 -0.37 0.40 0.00 -0.00 0.00 0.00 43.42 43.45 3phy n LEU 23 CO 0.00 -0.05 0.78 0.47 -0.00 0.00 0.00 177.39 178.59 3phy n ASP 24 N -1.83 1.82 -2.23 1.45 8.00 -1.26 -4.04 116.55 118.46 3phy n ASP 24 Ca 0.06 -1.56 -0.27 0.00 0.71 0.00 0.00 54.79 53.72 3phy n ASP 24 Cb 0.38 0.03 0.14 0.00 -0.02 0.00 0.00 41.12 41.65 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 25 N 1.24 5.02 3.35 0.44 0.00 -1.21 -4.54 105.19 109.49 3phy n GLY 25 Ca 0.17 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.49 2.29 0.00 0.99 1.02 -1.26 -5.00 118.68 113.24 3phy s LEU 26 Ca 0.59 -0.71 0.08 0.00 0.02 0.00 0.00 54.13 54.11 3phy s LEU 26 Cb 0.49 -1.12 0.40 0.00 0.02 0.00 0.00 46.19 45.97 3phy s LEU 26 CO 0.06 0.15 1.27 0.00 0.02 0.00 0.00 176.35 177.85 3phy n ALA 27 N 1.07 2.53 -2.74 4.21 0.00 -1.26 -4.68 120.51 119.64 3phy n ALA 27 Ca -0.18 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 52.97 3phy n ALA 27 Cb 0.53 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -1.94 0.94 -0.36 0.00 -0.71 -1.26 -3.17 117.98 111.48 3phy s PHE 28 Ca 0.12 -0.51 -0.29 0.00 -1.04 0.00 0.00 56.93 55.21 3phy s PHE 28 Cb 0.06 -0.54 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 3phy s PHE 28 CO 0.09 -0.02 1.13 0.20 -1.34 0.00 0.00 175.22 175.29 3phy s GLY 29 N -1.77 1.45 -0.69 1.99 0.00 -1.01 -4.62 107.32 102.66 3phy s GLY 29 Ca -0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.32 3phy s GLY 29 CO 0.01 2.37 0.89 0.00 0.00 0.00 0.00 173.10 176.36 3phy s ALA 30 N 4.02 3.31 0.01 3.20 0.00 -0.92 -2.87 121.76 128.51 3phy s ALA 30 Ca 0.48 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3phy s ALA 30 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3phy s ALA 30 CO 0.21 -2.63 0.06 0.96 0.00 0.00 0.00 175.76 174.37 3phy s ILE 31 N 3.13 4.58 0.37 0.00 -5.25 -1.17 -3.53 121.20 119.34 3phy s ILE 31 Ca 0.20 -0.49 0.08 0.00 -0.99 0.00 0.00 60.65 59.45 3phy s ILE 31 Cb -0.17 -3.10 -0.06 0.00 2.95 0.00 0.00 42.46 42.09 3phy s ILE 31 CO 0.04 0.33 0.08 -1.10 -1.79 0.00 0.00 174.94 172.51 3phy s GLN 32 N -1.77 2.14 0.08 0.37 -0.21 -0.68 -1.77 119.66 117.83 3phy s GLN 32 Ca 0.23 -1.81 -0.17 0.00 0.02 0.00 0.00 55.36 53.63 3phy s GLN 32 Cb -0.12 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 31.99 3phy s GLN 32 CO 0.14 0.02 0.41 -0.51 -2.12 0.00 0.00 175.29 173.23 3phy s LEU 33 N -3.79 0.40 -0.08 2.90 1.43 0.01 -2.32 118.68 117.23 3phy s LEU 33 Ca 0.37 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3phy s LEU 33 Cb 0.02 1.79 0.03 0.00 0.03 0.00 0.00 46.19 48.06 3phy s LEU 33 CO 0.21 -0.75 -0.02 1.51 0.23 0.00 0.00 176.35 177.52 3phy s ASP 34 N -2.38 1.64 0.00 2.29 -4.77 -0.79 -3.03 116.67 109.62 3phy s ASP 34 Ca -0.01 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 3phy s ASP 34 Cb 0.01 -0.54 0.00 0.00 -1.09 0.00 0.00 42.92 41.30 3phy s ASP 34 CO -0.07 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.26 3phy n GLY 35 N 4.93 0.01 0.00 2.12 0.00 -1.26 -1.27 105.19 109.73 3phy n GLY 35 Ca -0.11 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3phy n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 36 N 0.06 0.00 0.00 1.61 8.00 -1.26 -4.79 116.55 120.17 3phy n ASP 36 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3phy n ASP 36 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.20 0.67 3.76 0.44 0.00 -0.40 -4.93 105.19 104.52 3phy n GLY 37 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.45 7.11 0.28 1.61 0.01 -1.19 -2.01 114.94 118.30 3phy s ASN 38 Ca 0.00 2.36 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 3phy s ASN 38 Cb 0.00 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 3phy s ASN 38 CO 0.00 -0.29 1.47 -0.51 -1.51 0.00 0.00 177.10 176.26 3phy s ILE 39 N -0.90 2.47 -0.11 0.60 1.10 -1.16 -1.88 121.20 121.32 3phy s ILE 39 Ca 0.47 0.41 0.11 0.00 -0.51 0.00 0.00 60.65 61.13 3phy s ILE 39 Cb -0.34 -3.26 -0.15 0.00 0.15 0.00 0.00 42.46 38.86 3phy s ILE 39 CO 0.43 0.07 0.06 0.18 -2.11 0.00 0.00 174.94 173.57 3phy n LEU 40 N 1.96 0.00 -3.57 8.50 4.77 -0.98 -4.56 117.00 123.11 3phy n LEU 40 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 3phy n LEU 40 Cb 0.40 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3phy n LEU 40 CO 0.61 0.26 0.56 -1.58 -1.33 0.00 0.00 177.39 175.91 3phy s GLN 41 N -2.33 1.21 0.15 3.23 -0.44 -1.26 -4.92 119.66 115.30 3phy s GLN 41 Ca -0.06 -0.53 0.00 0.00 -2.50 0.00 0.00 55.36 52.27 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 0.48 -0.54 0.00 0.98 0.50 0.00 0.00 175.29 176.71 3phy n TYR 42 N -0.37 -1.66 0.00 1.67 9.36 -1.23 -1.69 117.16 123.24 3phy n TYR 42 Ca -0.10 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.44 3phy n TYR 42 Cb 0.62 0.86 0.00 0.00 -0.63 0.00 0.00 39.34 40.20 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 -2.96 0.00 0.04 2.98 6.94 -1.26 -2.16 115.26 118.84 3phy n ASN 43 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 3phy n ASN 43 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 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 0.89 2.59 0.16 -2.53 0.00 -1.26 -3.80 120.51 116.56 3phy n ALA 44 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 3phy n ALA 44 Cb 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 1.93 -1.03 -0.34 0.00 0.00 -1.83 0.17 119.26 118.16 3phy h ALA 45 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3phy h ALA 45 Cb 1.08 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 3phy h ALA 45 CO 0.00 -1.14 0.16 1.05 0.00 0.00 0.00 179.25 179.32 3phy h GLU 46 N -0.82 0.50 0.00 0.00 4.11 -1.82 -1.18 114.58 115.37 3phy h GLU 46 Ca -0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.33 3phy h GLU 46 Cb 0.79 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3phy h GLU 46 CO -0.23 0.46 0.03 0.78 0.07 0.00 0.00 179.01 180.12 3phy h GLY 47 N 0.42 0.00 1.39 1.06 0.00 -1.24 -0.94 103.07 103.76 3phy h GLY 47 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 3phy h GLY 47 CO -0.01 0.00 -1.42 -0.55 0.00 0.00 0.00 176.54 174.55 3phy h ASP 48 N 0.00 0.33 0.20 0.19 3.32 0.61 0.44 116.42 121.51 3phy h ASP 48 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 57.03 56.29 3phy h ASP 48 Cb 0.07 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.53 3phy h ASP 48 CO 0.00 1.36 -1.53 0.40 -1.72 0.00 0.00 179.24 177.75 3phy h ILE 49 N 0.06 1.13 -0.02 0.35 5.03 -1.09 -3.35 117.51 119.62 3phy h ILE 49 Ca -0.20 -2.57 0.00 0.00 -0.12 0.00 0.00 64.86 61.97 3phy h ILE 49 Cb 1.98 2.91 0.00 0.00 -3.03 0.00 0.00 36.82 38.68 3phy h ILE 49 CO 0.16 0.81 -0.02 1.07 -0.68 0.00 0.00 178.15 179.49 3phy n THR 50 N -3.73 0.00 -0.72 -0.27 5.66 -0.57 -4.95 114.28 109.70 3phy n THR 50 Ca -0.21 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 3phy n THR 50 Cb 1.04 1.36 0.00 0.00 -1.55 0.00 0.00 70.33 71.18 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3phy n GLY 51 N 1.01 1.54 3.58 1.09 0.00 0.15 -4.93 105.19 107.62 3phy n GLY 51 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3phy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3phy s ARG 52 N -0.01 3.66 1.32 1.61 0.52 -0.94 -4.84 118.95 120.28 3phy s ARG 52 Ca 0.00 -1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 53.33 3phy s ARG 52 Cb 0.00 -5.45 0.32 0.00 0.52 0.00 0.00 34.95 30.33 3phy s ARG 52 CO 0.00 -2.55 0.76 -0.25 0.02 0.00 0.00 175.30 173.28 3phy n ASP 53 N 9.56 -3.37 0.08 0.23 9.92 -1.26 -2.67 116.55 129.04 3phy n ASP 53 Ca 0.46 -0.60 -0.12 0.00 -0.53 0.00 0.00 54.79 54.00 3phy n ASP 53 Cb 0.47 -1.02 -0.04 0.00 -0.64 0.00 0.00 41.12 39.88 3phy n ASP 53 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3phy h PRO 54 N -3.21 0.31 0.00 -0.24 0.13 -1.94 -2.61 132.00 124.45 3phy h PRO 54 Ca -0.44 -0.36 -0.07 0.00 -0.87 0.00 0.00 66.00 64.26 3phy h PRO 54 Cb 1.25 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 3phy h PRO 54 CO 0.30 1.06 -0.34 -0.22 -0.23 0.00 0.00 178.00 178.57 3phy h LYS 55 N 0.16 0.00 0.17 0.86 1.63 -1.93 -3.17 116.57 114.30 3phy h LYS 55 Ca -0.07 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.45 3phy h LYS 55 Cb 1.60 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.26 3phy h LYS 55 CO 0.16 0.32 -1.19 1.96 -3.45 0.00 0.00 179.45 177.25 3phy h GLN 56 N 0.00 0.51 0.00 1.90 1.08 -1.89 -3.14 115.11 113.56 3phy h GLN 56 Ca -0.00 -0.77 0.00 0.00 -1.45 0.00 0.00 58.65 56.43 3phy h GLN 56 Cb 1.25 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 3phy h GLN 56 CO 0.04 1.35 0.00 1.33 -0.95 0.00 0.00 178.83 180.61 3phy n VAL 57 N -3.88 0.65 -2.14 -0.54 0.24 -0.99 -4.51 118.33 107.17 3phy n VAL 57 Ca -0.15 0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 3phy n VAL 57 Cb 0.97 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.76 3.65 0.00 1.34 1.01 -1.19 -1.40 121.20 121.85 3phy s ILE 58 Ca 0.13 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3phy s ILE 58 Cb 0.11 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3phy s ILE 58 CO 0.28 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3phy n GLY 59 N 3.84 3.24 3.74 6.18 0.00 -1.26 -5.02 105.19 115.90 3phy n GLY 59 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.54 4.72 -0.06 1.61 -0.14 -0.50 -4.84 119.74 119.99 3phy s LYS 60 Ca 0.00 1.42 -0.30 0.00 -1.36 0.00 0.00 55.97 55.73 3phy s LYS 60 Cb 0.00 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 3phy s LYS 60 CO 0.00 0.31 1.04 1.21 -0.76 0.00 0.00 175.35 177.15 3phy s ASN 61 N -0.34 7.24 0.20 2.83 3.84 -1.26 -2.99 114.94 124.45 3phy s ASN 61 Ca 0.44 1.64 0.15 0.00 0.21 0.00 0.00 52.86 55.30 3phy s ASN 61 Cb -0.24 -2.56 0.77 0.00 -0.55 0.00 0.00 41.25 38.67 3phy s ASN 61 CO 0.30 -0.42 1.46 0.33 -2.79 0.00 0.00 177.10 175.97 3phy n PHE 62 N 4.69 0.48 -1.53 0.43 7.35 -0.85 -1.75 117.46 126.29 3phy n PHE 62 Ca 0.08 0.24 0.05 0.00 -0.76 0.00 0.00 57.45 57.06 3phy n PHE 62 Cb 0.49 -0.88 0.20 0.00 0.35 0.00 0.00 39.48 39.64 3phy n PHE 62 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3phy n PHE 63 N -1.99 0.16 0.02 -5.13 3.01 -1.26 -3.37 117.46 108.89 3phy n PHE 63 Ca -0.00 -1.46 0.00 0.00 1.01 0.00 0.00 57.45 56.99 3phy n PHE 63 Cb 0.05 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 3phy n PHE 63 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3phy n LYS 64 N -1.14 0.00 -0.12 -1.08 5.02 -0.76 -4.64 118.16 115.44 3phy n LYS 64 Ca 0.21 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.55 3phy n LYS 64 Cb 0.73 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.86 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3phy n ASP 65 N -2.56 2.58 0.00 4.39 2.03 -0.72 -4.52 116.55 117.76 3phy n ASP 65 Ca 0.00 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.45 3phy n ASP 65 Cb 0.00 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3phy n VAL 66 N 0.43 0.00 -3.48 5.18 0.31 -0.75 -4.77 118.33 115.25 3phy n VAL 66 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.15 3phy n VAL 66 Cb 0.37 -0.64 -0.13 0.00 -0.91 0.00 0.00 33.84 32.53 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 -1.98 0.57 -1.22 3.52 0.00 -1.22 -4.97 121.76 116.47 3phy s ALA 67 Ca 0.00 -1.32 0.19 0.00 0.00 0.00 0.00 51.96 50.83 3phy s ALA 67 Cb 0.00 -1.56 0.87 0.00 0.00 0.00 0.00 23.12 22.44 3phy s ALA 67 CO 0.00 -1.87 1.59 -0.35 0.00 0.00 0.00 175.76 175.13 3phy n PRO 68 N 4.71 0.14 0.04 0.00 -0.04 -1.26 -2.28 135.00 136.30 3phy n PRO 68 Ca 0.03 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 3phy n PRO 68 Cb 0.41 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.56 0.03 -1.68 0.00 -2.24 -0.97 -3.93 114.28 102.94 3phy n THR 70 Ca -0.05 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 3phy n THR 70 Cb 0.64 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 3phy n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3phy n ASP 71 N -1.03 7.27 -4.10 3.42 5.68 -1.25 -1.40 116.55 125.14 3phy n ASP 71 Ca 0.18 -3.08 -0.25 0.00 -0.50 0.00 0.00 54.79 51.14 3phy n ASP 71 Cb 0.10 -1.33 -0.08 0.00 -1.14 0.00 0.00 41.12 38.66 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3phy s SER 72 N 0.61 2.69 0.00 -1.12 0.01 -1.25 -4.92 113.70 109.71 3phy s SER 72 Ca 0.58 -1.66 0.28 0.00 1.31 0.00 0.00 55.95 56.46 3phy s SER 72 Cb 0.27 0.48 1.59 0.00 0.21 0.00 0.00 66.02 68.58 3phy s SER 72 CO -0.14 -0.92 2.02 -0.81 0.41 0.00 0.00 173.24 173.80 3phy n PRO 73 N -0.88 0.71 -0.04 12.44 -0.04 -1.26 -0.51 135.00 145.41 3phy n PRO 73 Ca -0.05 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 3phy n PRO 73 Cb 0.65 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.11 1.23 0.00 0.54 -0.58 -1.26 -3.72 120.64 115.73 3phy n GLU 74 Ca 0.18 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3phy n GLU 74 Cb 0.15 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.31 0.00 0.34 -0.32 -0.00 -1.20 -4.14 117.46 109.82 3phy n PHE 75 Ca -0.15 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.45 3phy n PHE 75 Cb 0.72 0.00 0.58 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 0.86 -5.13 3.20 -0.40 -2.93 116.97 112.57 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 -0.41 0.78 -1.64 0.00 0.00 178.16 176.89 3phy h GLY 77 N 2.29 -1.20 2.00 1.82 0.00 -0.88 0.31 103.07 107.41 3phy h GLY 77 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3phy h GLY 77 CO 0.00 -0.44 0.00 0.28 0.00 0.00 0.00 176.54 176.38 3phy n LYS 78 N -5.54 0.17 0.12 4.80 4.76 -1.19 -1.48 118.16 119.79 3phy n LYS 78 Ca -0.14 0.53 -0.20 0.00 -2.87 0.00 0.00 58.31 55.63 3phy n LYS 78 Cb 0.46 -1.91 -0.15 0.00 -1.84 0.00 0.00 35.03 31.58 3phy n LYS 78 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3phy h PHE 79 N 0.00 0.71 0.00 2.13 3.04 -1.24 -0.98 116.94 120.61 3phy h PHE 79 Ca 0.00 -0.52 0.00 0.00 3.98 0.00 0.00 57.97 61.43 3phy h PHE 79 Cb 0.18 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.66 3phy h PHE 79 CO 0.00 1.44 0.00 1.63 -2.02 0.00 0.00 178.31 179.36 3phy n LYS 80 N -3.61 0.16 -0.08 1.11 5.02 0.05 -1.62 118.16 119.19 3phy n LYS 80 Ca -0.14 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3phy n LYS 80 Cb 1.07 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.41 0.69 -0.16 1.97 -0.58 -0.82 -3.41 120.64 116.92 3phy n GLU 81 Ca 0.09 0.19 -0.11 0.00 -0.42 0.00 0.00 57.16 56.91 3phy n GLU 81 Cb 0.28 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.75 1.08 1.10 0.62 0.00 -1.14 0.17 103.07 106.66 3phy h GLY 82 Ca -0.52 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 45.81 3phy h GLY 82 CO -0.03 0.87 0.33 -2.08 0.00 0.00 0.00 176.54 175.63 3phy h VAL 83 N 0.86 1.25 -0.01 4.60 2.07 -1.48 -1.08 116.25 122.47 3phy h VAL 83 Ca 0.11 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3phy h VAL 83 Cb 0.79 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3phy h VAL 83 CO 0.07 0.32 -0.22 0.00 0.02 0.00 0.00 177.57 177.76 3phy n ALA 84 N -2.43 3.00 0.02 1.67 0.00 -1.07 -3.99 120.51 117.70 3phy n ALA 84 Ca 0.07 -0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.17 3phy n ALA 84 Cb 0.17 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 3phy n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3phy n SER 85 N -0.42 1.10 -0.05 0.00 2.88 0.59 -4.98 113.62 112.74 3phy n SER 85 Ca 0.13 -0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 3phy n SER 85 Cb 0.36 1.75 -0.00 0.00 -0.75 0.00 0.00 64.21 65.57 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 1.53 0.43 2.66 0.46 0.00 -0.45 -4.95 105.19 104.87 3phy n GLY 86 Ca -0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3phy n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3phy n ASN 87 N 1.81 -2.48 -4.60 1.61 3.02 -1.18 -5.08 115.26 108.35 3phy n ASN 87 Ca -0.01 -3.10 -0.43 0.00 -0.03 0.00 0.00 54.58 51.02 3phy n ASN 87 Cb 0.02 1.36 -0.02 0.00 -0.61 0.00 0.00 39.78 40.53 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3phy s LEU 88 N -0.40 3.62 -0.52 3.41 0.20 -1.26 -4.77 118.68 118.96 3phy s LEU 88 Ca 0.32 0.78 0.07 0.00 0.69 0.00 0.00 54.13 55.98 3phy s LEU 88 Cb 0.16 -3.54 0.19 0.00 -0.43 0.00 0.00 46.19 42.57 3phy s LEU 88 CO -0.19 -1.37 0.74 -0.46 -0.29 0.00 0.00 176.35 174.78 3phy n ASN 89 N 8.54 -3.43 -4.04 3.68 6.94 -1.25 -1.62 115.26 124.07 3phy n ASN 89 Ca 0.15 -2.90 -0.11 0.00 -0.02 0.00 0.00 54.58 51.71 3phy n ASN 89 Cb 0.48 1.75 -0.11 0.00 -2.36 0.00 0.00 39.78 39.54 3phy n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3phy s THR 90 N 0.87 0.38 0.03 5.53 -1.32 -1.00 -5.03 115.64 115.10 3phy s THR 90 Ca 0.30 -1.13 0.03 0.00 -1.21 0.00 0.00 61.69 59.68 3phy s THR 90 Cb 0.01 -0.63 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 3phy s THR 90 CO -0.05 -0.50 -0.10 0.00 -2.21 0.00 0.00 174.62 171.75 3phy s MET 91 N -1.86 0.68 0.22 7.08 0.23 -1.26 -1.88 119.30 122.51 3phy s MET 91 Ca -0.09 -0.66 -0.04 0.00 -1.03 0.00 0.00 55.69 53.86 3phy s MET 91 Cb -0.08 -0.60 0.02 0.00 -1.53 0.00 0.00 34.83 32.64 3phy s MET 91 CO -0.01 0.14 0.37 1.97 -2.03 0.00 0.00 175.02 175.46 3phy n PHE 92 N 1.89 -1.39 -3.84 3.16 -1.74 -1.10 -5.01 117.46 109.43 3phy n PHE 92 Ca -0.19 -1.29 -0.36 0.00 -0.56 0.00 0.00 57.45 55.05 3phy n PHE 92 Cb 0.55 0.43 -0.13 0.00 1.52 0.00 0.00 39.48 41.85 3phy n PHE 92 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 3phy s GLU 93 N -2.30 3.08 0.50 3.97 4.04 -1.26 -1.97 118.70 124.76 3phy s GLU 93 Ca 0.14 -0.85 0.03 0.00 0.04 0.00 0.00 54.97 54.33 3phy s GLU 93 Cb -0.02 -3.21 -0.01 0.00 0.02 0.00 0.00 34.13 30.91 3phy s GLU 93 CO 0.10 -0.39 0.08 -0.47 -1.84 0.00 0.00 175.26 172.74 3phy s TYR 94 N 1.45 1.95 -0.21 4.83 5.04 -1.12 -5.00 117.35 124.28 3phy s TYR 94 Ca 0.02 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.73 3phy s TYR 94 Cb -0.17 -1.70 0.09 0.00 0.35 0.00 0.00 41.96 40.54 3phy s TYR 94 CO -0.00 0.14 0.22 0.99 -1.34 0.00 0.00 175.55 175.56 3phy s THR 95 N -2.83 -0.31 -0.24 4.34 2.01 -1.26 -2.62 115.64 114.73 3phy s THR 95 Ca 0.16 -0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 3phy s THR 95 Cb 0.02 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.84 3phy s THR 95 CO 0.09 -0.23 0.91 -0.36 -0.69 0.00 0.00 174.62 174.34 3phy s PHE 96 N 2.31 3.32 -0.34 4.92 0.08 0.45 -4.87 117.98 123.85 3phy s PHE 96 Ca 0.07 1.26 0.15 0.00 0.12 0.00 0.00 56.93 58.52 3phy s PHE 96 Cb -0.16 -3.15 0.44 0.00 -0.57 0.00 0.00 43.02 39.58 3phy s PHE 96 CO -0.13 -0.44 1.19 -3.47 -0.10 0.00 0.00 175.22 172.26 3phy n ASP 97 N 6.15 -0.07 -4.74 1.36 -0.08 -1.26 -1.08 116.55 116.83 3phy n ASP 97 Ca 0.08 -2.47 -0.41 0.00 -1.51 0.00 0.00 54.79 50.48 3phy n ASP 97 Cb 0.47 0.17 -0.05 0.00 2.34 0.00 0.00 41.12 44.05 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3phy s TYR 98 N -1.65 3.77 0.00 -0.67 -0.85 -1.26 -4.41 117.35 112.27 3phy s TYR 98 Ca 0.23 1.76 0.00 0.00 -0.52 0.00 0.00 57.07 58.54 3phy s TYR 98 Cb 0.42 -3.11 0.00 0.00 0.38 0.00 0.00 41.96 39.65 3phy s TYR 98 CO -0.04 -0.01 0.00 0.00 -1.52 0.00 0.00 175.55 173.98 3phy n GLN 99 N 2.43 -0.11 -3.83 -3.49 10.64 -1.26 -4.65 117.38 117.11 3phy n GLN 99 Ca 0.02 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 3phy n GLN 99 Cb 0.48 0.10 0.01 0.00 -0.86 0.00 0.00 30.24 29.96 3phy n GLN 99 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 3phy s MET 100 N -0.67 0.74 0.99 2.61 1.75 -1.26 -5.15 119.30 118.31 3phy s MET 100 Ca 0.00 -0.45 -0.14 0.00 -1.25 0.00 0.00 55.69 53.85 3phy s MET 100 Cb 0.00 0.22 0.07 0.00 2.84 0.00 0.00 34.83 37.96 3phy s MET 100 CO 0.00 -0.34 0.42 0.25 -0.65 0.00 0.00 175.02 174.69 3phy n THR 101 N -0.69 0.00 -2.40 10.11 -2.24 -1.26 -4.89 114.28 112.91 3phy n THR 101 Ca -0.03 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 3phy n THR 101 Cb 0.60 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3phy n THR 101 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3phy s PRO 102 N -3.72 3.79 -0.13 -0.78 0.04 -1.26 -4.61 135.00 128.33 3phy s PRO 102 Ca 0.58 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 3phy s PRO 102 Cb -0.20 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3phy s PRO 102 CO 0.66 -0.42 0.29 0.99 0.04 0.00 0.00 177.00 178.56 3phy s THR 103 N -2.36 -0.14 -0.09 1.26 2.01 -0.24 -4.98 115.64 111.09 3phy s THR 103 Ca 0.63 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.79 3phy s THR 103 Cb -0.13 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 3phy s THR 103 CO 0.27 0.07 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.45 3phy s LYS 104 N 1.58 2.98 -0.11 4.92 2.20 -1.26 -0.41 119.74 129.65 3phy s LYS 104 Ca -0.07 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.85 3phy s LYS 104 Cb -0.10 -2.66 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 3phy s LYS 104 CO -0.09 0.55 0.37 0.14 -0.36 0.00 0.00 175.35 175.95 3phy s VAL 105 N -0.49 0.01 -0.15 4.02 -7.23 -1.08 -1.96 120.40 113.53 3phy s VAL 105 Ca 0.07 -0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 59.85 3phy s VAL 105 Cb -0.12 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 3phy s VAL 105 CO 0.02 -0.07 0.89 -1.59 -0.31 0.00 0.00 175.10 174.04 3phy s LYS 106 N -0.23 4.34 0.13 4.82 0.00 -0.58 -2.81 119.74 125.40 3phy s LYS 106 Ca -0.04 1.14 0.05 0.00 0.00 0.00 0.00 55.97 57.13 3phy s LYS 106 Cb -0.03 -3.56 -0.04 0.00 0.00 0.00 0.00 37.83 34.19 3phy s LYS 106 CO 0.02 -0.33 0.03 0.14 0.00 0.00 0.00 175.35 175.21 3phy s VAL 107 N 2.12 4.05 -0.20 1.79 -7.23 -0.83 -1.47 120.40 118.63 3phy s VAL 107 Ca 0.42 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 3phy s VAL 107 Cb -0.17 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 33.86 3phy s VAL 107 CO 0.14 0.02 0.15 -2.28 -0.31 0.00 0.00 175.10 172.81 3phy s HIS 108 N -1.51 0.01 -0.22 2.82 5.04 -1.12 -2.71 115.29 117.61 3phy s HIS 108 Ca 0.27 -0.18 -0.07 0.00 -1.54 0.00 0.00 55.06 53.55 3phy s HIS 108 Cb -0.11 -0.59 -0.03 0.00 0.04 0.00 0.00 32.58 31.89 3phy s HIS 108 CO 0.20 -0.60 0.04 -1.64 -2.34 0.00 0.00 174.74 170.40 3phy s MET 109 N 2.21 3.71 0.00 2.88 -1.94 -0.79 -1.30 119.30 124.07 3phy s MET 109 Ca 0.05 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 3phy s MET 109 Cb -0.16 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.47 3phy s MET 109 CO -0.14 -0.01 0.00 1.17 -0.01 0.00 0.00 175.02 176.03 3phy n LYS 110 N 4.37 1.94 -3.74 2.03 4.81 -0.22 -2.37 118.16 124.99 3phy n LYS 110 Ca -0.17 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.91 3phy n LYS 110 Cb 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.46 3phy n LYS 110 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3phy s LYS 111 N -0.77 2.35 0.07 1.64 -2.85 -0.64 -1.91 119.74 117.63 3phy s LYS 111 Ca 0.00 -2.25 -0.35 0.00 -1.00 0.00 0.00 55.97 52.37 3phy s LYS 111 Cb 0.00 -3.68 -0.14 0.00 -2.06 0.00 0.00 37.83 31.95 3phy s LYS 111 CO 0.00 -1.14 1.59 0.00 0.10 0.00 0.00 175.35 175.90 3phy n ALA 112 N 3.92 0.65 0.11 0.59 0.00 0.33 -4.84 120.51 121.27 3phy n ALA 112 Ca 0.04 0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.94 3phy n ALA 112 Cb 0.39 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 3phy n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3phy n LEU 113 N 3.92 0.11 -0.34 0.00 7.94 -1.26 -2.64 117.00 124.73 3phy n LEU 113 Ca 0.19 -0.20 0.06 0.00 -1.11 0.00 0.00 56.01 54.95 3phy n LEU 113 Cb 0.26 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.43 3phy n LEU 113 CO 0.66 0.03 1.20 0.77 -1.11 0.00 0.00 177.39 178.94 3phy h SER 114 N 0.00 0.84 0.00 1.96 4.64 -1.88 -3.42 113.55 115.68 3phy h SER 114 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3phy h SER 114 Cb 0.22 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3phy h SER 114 CO 0.00 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 3phy n GLY 115 N -1.34 0.00 0.00 -0.77 0.00 -1.26 -5.06 105.19 96.76 3phy n GLY 115 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 1.61 8.00 -1.26 -5.14 116.55 119.76 3phy n ASP 116 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3phy n SER 117 N 0.00 0.00 -4.16 -2.24 7.64 -1.08 -4.84 113.62 108.94 3phy n SER 117 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3phy n SER 117 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N 0.00 2.15 0.25 1.43 2.02 -1.17 0.12 117.35 122.15 3phy s TYR 118 Ca 0.00 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 55.92 3phy s TYR 118 Cb 0.00 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 3phy s TYR 118 CO 0.00 -0.33 0.01 1.67 -1.57 0.00 0.00 175.55 175.33 3phy s TRP 119 N 0.35 1.64 -0.18 2.71 1.48 -0.80 -0.81 118.94 123.33 3phy s TRP 119 Ca -0.15 -0.93 -0.04 0.00 -1.06 0.00 0.00 56.10 53.92 3phy s TRP 119 Cb -0.16 -0.97 0.09 0.00 -1.16 0.00 0.00 33.47 31.26 3phy s TRP 119 CO 0.06 -0.03 0.29 0.08 -4.06 0.00 0.00 176.95 173.29 3phy s VAL 120 N -3.40 -0.45 -0.52 -0.66 1.01 -0.73 -1.05 120.40 114.61 3phy s VAL 120 Ca 0.30 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 3phy s VAL 120 Cb 0.06 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.90 3phy s VAL 120 CO 0.10 -0.03 0.63 -0.36 0.00 0.00 0.00 175.10 175.45 3phy s PHE 121 N 2.43 3.05 -0.54 5.22 0.08 -0.42 -3.05 117.98 124.75 3phy s PHE 121 Ca 0.05 -0.61 -0.23 0.00 0.12 0.00 0.00 56.93 56.26 3phy s PHE 121 Cb -0.14 -3.60 0.04 0.00 -0.57 0.00 0.00 43.02 38.76 3phy s PHE 121 CO -0.11 -1.07 0.87 0.08 -0.10 0.00 0.00 175.22 174.89 3phy s VAL 122 N 2.62 4.50 -0.40 -0.44 1.01 -1.14 -2.79 120.40 123.76 3phy s VAL 122 Ca 0.14 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.03 3phy s VAL 122 Cb -0.20 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.71 3phy s VAL 122 CO 0.11 -1.03 0.71 -0.54 0.00 0.00 0.00 175.10 174.35 3phy s LYS 123 N 3.65 3.54 0.23 2.72 1.02 -0.54 -2.41 119.74 127.94 3phy s LYS 123 Ca 0.27 -0.02 -0.32 0.00 0.02 0.00 0.00 55.97 55.92 3phy s LYS 123 Cb -0.14 -3.87 -0.13 0.00 -0.52 0.00 0.00 37.83 33.17 3phy s LYS 123 CO 0.18 -0.92 1.54 -2.13 -0.92 0.00 0.00 175.35 173.10 3phy n ARG 124 N 6.35 2.35 0.00 1.68 0.63 -1.19 -1.53 116.66 124.96 3phy n ARG 124 Ca 0.01 0.84 0.13 0.00 -0.92 0.00 0.00 57.85 57.91 3phy n ARG 124 Cb 0.48 -2.58 0.30 0.00 0.45 0.00 0.00 32.46 31.11 3phy n ARG 124 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40