#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 0.42 -0.20 3.17 -1.05 -1.26 -5.10 118.70 114.68 3phy s GLU 2 Ca 0.00 -0.24 -0.09 0.00 -0.15 0.00 0.00 54.97 54.49 3phy s GLU 2 Cb 0.00 0.14 0.03 0.00 -0.44 0.00 0.00 34.13 33.87 3phy s GLU 2 CO 0.00 -0.20 0.18 1.58 0.95 0.00 0.00 175.26 177.77 3phy n HIS 3 N -0.54 -4.08 -1.58 4.83 -0.00 -1.26 -4.95 115.22 107.64 3phy n HIS 3 Ca -0.07 2.25 -0.31 0.00 0.46 0.00 0.00 57.72 60.05 3phy n HIS 3 Cb 0.62 -3.78 0.05 0.00 -0.12 0.00 0.00 29.99 26.76 3phy n HIS 3 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3phy s VAL 4 N -0.84 4.04 -0.16 3.57 1.01 -1.26 -5.02 120.40 121.75 3phy s VAL 4 Ca -0.21 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 3phy s VAL 4 Cb 0.01 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3phy s VAL 4 CO 0.74 -0.87 0.33 0.00 0.00 0.00 0.00 175.10 175.30 3phy s ALA 5 N -3.05 3.57 0.06 5.51 0.00 -1.26 -4.98 121.76 121.60 3phy s ALA 5 Ca 0.58 -0.41 -0.35 0.00 0.00 0.00 0.00 51.96 51.78 3phy s ALA 5 Cb -0.14 -2.45 -0.20 0.00 0.00 0.00 0.00 23.12 20.34 3phy s ALA 5 CO 0.55 0.06 1.52 0.35 0.00 0.00 0.00 175.76 178.24 3phy h PHE 6 N 6.72 -1.11 -0.47 0.00 3.04 -2.01 0.11 116.94 123.22 3phy h PHE 6 Ca -0.41 -0.03 0.14 0.00 3.98 0.00 0.00 57.97 61.65 3phy h PHE 6 Cb 1.17 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 40.02 3phy h PHE 6 CO 0.61 -0.69 0.42 0.78 -2.02 0.00 0.00 178.31 177.41 3phy h GLY 7 N -1.24 0.00 0.00 2.40 0.00 -1.99 -3.46 103.07 98.78 3phy h GLY 7 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3phy h GLY 7 CO 0.20 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.48 3phy n SER 8 N -3.97 -1.03 -4.32 0.19 2.88 0.38 -3.33 113.62 104.43 3phy n SER 8 Ca 0.09 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.30 3phy n SER 8 Cb 0.62 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 3phy n SER 8 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3phy n GLU 9 N -0.09 1.56 -3.03 -1.46 2.13 -1.26 -4.53 120.64 113.96 3phy n GLU 9 Ca 0.00 -2.29 -0.19 0.00 0.66 0.00 0.00 57.16 55.34 3phy n GLU 9 Cb 0.00 -3.50 0.02 0.00 0.27 0.00 0.00 31.44 28.22 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3phy n ASP 10 N 12.54 -5.21 0.09 4.31 9.92 -1.22 -4.64 116.55 132.34 3phy n ASP 10 Ca 0.46 0.08 -0.04 0.00 -0.53 0.00 0.00 54.79 54.77 3phy n ASP 10 Cb 0.45 -1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 39.53 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3phy h ILE 11 N 2.50 0.00 -1.67 0.53 1.08 -1.79 -2.44 117.51 115.72 3phy h ILE 11 Ca -0.27 -0.07 0.50 0.00 -0.39 0.00 0.00 64.86 64.63 3phy h ILE 11 Cb 1.07 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.74 3phy h ILE 11 CO 0.11 0.00 1.19 -1.84 -0.69 0.00 0.00 178.15 176.92 3phy n GLU 12 N -2.83 -0.00 -0.05 2.37 0.28 -1.26 0.11 120.64 119.26 3phy n GLU 12 Ca -0.03 0.98 -0.13 0.00 -0.16 0.00 0.00 57.16 57.82 3phy n GLU 12 Cb 0.10 -2.21 -0.12 0.00 1.43 0.00 0.00 31.44 30.64 3phy n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 3phy h ASN 13 N 0.00 -0.01 0.55 -1.84 -1.24 -1.87 -0.76 115.58 110.41 3phy h ASN 13 Ca 0.83 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3phy h ASN 13 Cb 3.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 42.28 3phy h ASN 13 CO -0.07 0.79 0.00 0.41 -1.29 0.00 0.00 177.43 177.27 3phy n THR 14 N -4.71 0.87 -0.04 -3.57 -1.04 0.30 -0.83 114.28 105.27 3phy n THR 14 Ca -0.09 0.36 -0.02 0.00 -2.04 0.00 0.00 64.05 62.26 3phy n THR 14 Cb 0.38 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.43 3phy n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3phy n LEU 15 N -2.28 0.29 0.00 -4.42 4.77 0.49 -4.22 117.00 111.64 3phy n LEU 15 Ca 0.01 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3phy n LEU 15 Cb 0.18 0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3phy n LEU 15 CO 0.17 0.28 0.11 0.00 -1.33 0.00 0.00 177.39 176.62 3phy n ALA 16 N -2.53 4.15 -3.06 -1.18 0.00 -0.30 -4.48 120.51 113.11 3phy n ALA 16 Ca -0.19 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 3phy n ALA 16 Cb 0.93 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 3phy n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3phy n LYS 17 N -1.57 2.24 -3.78 0.00 4.76 -0.01 -5.06 118.16 114.75 3phy n LYS 17 Ca 0.04 -4.22 -0.10 0.00 -2.87 0.00 0.00 58.31 51.16 3phy n LYS 17 Cb 0.35 -2.00 -0.07 0.00 -1.84 0.00 0.00 35.03 31.47 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3phy s MET 18 N -2.97 0.85 -0.14 1.97 -2.45 -1.26 -4.85 119.30 110.45 3phy s MET 18 Ca 0.45 -0.69 -0.08 0.00 -1.25 0.00 0.00 55.69 54.11 3phy s MET 18 Cb 0.30 0.36 -0.03 0.00 1.25 0.00 0.00 34.83 36.71 3phy s MET 18 CO -0.11 -0.28 -0.13 0.22 1.05 0.00 0.00 175.02 175.77 3phy h ASP 19 N 2.97 0.00 0.00 1.11 3.58 -1.96 -3.50 116.42 118.62 3phy h ASP 19 Ca -0.33 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.10 3phy h ASP 19 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3phy h ASP 19 CO 0.50 0.74 0.00 0.47 -2.88 0.00 0.00 179.24 178.07 3phy n ASP 20 N -4.63 0.00 0.00 2.28 8.00 -1.26 -4.99 116.55 115.94 3phy n ASP 20 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3phy n ASP 20 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 21 N 0.00 1.73 0.01 0.44 0.00 -1.26 -5.00 105.19 101.11 3phy n GLY 21 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.62 -0.54 1.61 7.27 -1.26 -4.48 117.38 119.96 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 -1.32 0.26 0.00 2.41 0.00 0.00 30.24 31.60 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 -2.03 4.13 -0.29 1.69 -0.00 -1.26 -4.49 117.00 114.76 3phy n LEU 23 Ca -0.05 -3.10 0.14 0.00 -0.00 0.00 0.00 56.01 53.00 3phy n LEU 23 Cb 0.42 -0.57 0.49 0.00 -0.00 0.00 0.00 43.42 43.75 3phy n LEU 23 CO 0.28 0.73 0.78 -0.90 -0.00 0.00 0.00 177.39 178.28 3phy n ASP 24 N -0.50 1.04 -2.24 1.45 5.68 -1.26 -3.89 116.55 116.82 3phy n ASP 24 Ca 0.24 -1.03 -0.29 0.00 -0.50 0.00 0.00 54.79 53.22 3phy n ASP 24 Cb 0.95 0.05 0.13 0.00 -1.14 0.00 0.00 41.12 41.11 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3phy n GLY 25 N 1.27 5.23 3.40 6.12 0.00 -1.26 -4.30 105.19 115.65 3phy n GLY 25 Ca 0.15 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.56 2.66 0.00 0.99 1.43 -1.25 -4.98 118.68 113.96 3phy s LEU 26 Ca 0.60 -0.29 0.13 0.00 -1.03 0.00 0.00 54.13 53.55 3phy s LEU 26 Cb 0.49 -1.56 0.65 0.00 0.03 0.00 0.00 46.19 45.80 3phy s LEU 26 CO 0.05 0.25 1.36 0.00 0.23 0.00 0.00 176.35 178.24 3phy n ALA 27 N 2.96 1.74 -4.00 4.21 0.00 -1.26 -4.38 120.51 119.78 3phy n ALA 27 Ca -0.18 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 3phy n ALA 27 Cb 0.52 -1.22 -0.16 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.65 2.47 0.89 0.00 -0.71 -1.26 -3.17 117.98 113.55 3phy s PHE 28 Ca 0.11 -1.64 -0.14 0.00 -1.04 0.00 0.00 56.93 54.23 3phy s PHE 28 Cb 0.09 -1.66 0.01 0.00 -1.21 0.00 0.00 43.02 40.25 3phy s PHE 28 CO 0.21 -0.75 0.42 0.41 -1.34 0.00 0.00 175.22 174.17 3phy n GLY 29 N 4.67 -1.91 2.55 1.99 0.00 0.83 -4.59 105.19 108.72 3phy n GLY 29 Ca -0.15 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3phy n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3phy s ALA 30 N -2.25 0.70 0.47 4.61 0.00 -1.19 -1.05 121.76 123.05 3phy s ALA 30 Ca 0.59 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.46 3phy s ALA 30 Cb -0.25 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3phy s ALA 30 CO 0.65 -1.67 0.65 0.96 0.00 0.00 0.00 175.76 176.35 3phy s ILE 31 N 2.02 2.74 0.13 0.00 -5.25 -0.90 -4.16 121.20 115.78 3phy s ILE 31 Ca 0.09 -0.97 -0.03 0.00 -0.99 0.00 0.00 60.65 58.76 3phy s ILE 31 Cb -0.16 -2.77 -0.03 0.00 2.95 0.00 0.00 42.46 42.44 3phy s ILE 31 CO -0.34 0.00 0.10 0.00 -1.79 0.00 0.00 174.94 172.90 3phy s GLN 32 N -4.47 0.95 0.03 0.37 0.00 -0.60 -1.77 119.66 114.18 3phy s GLN 32 Ca 0.57 -1.37 -0.12 0.00 -0.00 0.00 0.00 55.36 54.45 3phy s GLN 32 Cb -0.09 0.27 0.01 0.00 0.00 0.00 0.00 33.01 33.20 3phy s GLN 32 CO 0.35 -0.28 0.25 -0.51 0.00 0.00 0.00 175.29 175.10 3phy s LEU 33 N -3.02 1.11 -0.13 2.60 1.43 -0.23 -2.52 118.68 117.93 3phy s LEU 33 Ca 0.21 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3phy s LEU 33 Cb 0.07 1.15 -0.01 0.00 0.03 0.00 0.00 46.19 47.43 3phy s LEU 33 CO 0.01 -0.56 -0.17 1.51 0.23 0.00 0.00 176.35 177.36 3phy s ASP 34 N -1.98 3.66 0.00 2.29 1.47 -0.65 -2.64 116.67 118.83 3phy s ASP 34 Ca -0.06 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.24 3phy s ASP 34 Cb -0.02 -1.54 0.00 0.00 -0.34 0.00 0.00 42.92 41.02 3phy s ASP 34 CO -0.03 0.14 0.00 0.61 0.68 0.00 0.00 175.17 176.58 3phy n GLY 35 N 3.66 0.00 0.00 2.12 0.00 -1.26 -1.68 105.19 108.03 3phy n GLY 35 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3phy n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 36 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.92 116.55 119.98 3phy n ASP 36 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 37 N 0.00 1.05 3.86 0.44 0.00 -0.67 -4.98 105.19 104.89 3phy n GLY 37 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3phy n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3phy s ASN 38 N -2.00 6.65 0.34 1.61 2.47 -1.21 -2.25 114.94 120.56 3phy s ASN 38 Ca 0.00 1.20 -0.26 0.00 0.42 0.00 0.00 52.86 54.22 3phy s ASN 38 Cb 0.00 -2.34 -0.10 0.00 -1.45 0.00 0.00 41.25 37.36 3phy s ASN 38 CO 0.00 -0.29 0.96 -0.51 -3.72 0.00 0.00 177.10 173.54 3phy s ILE 39 N -2.15 4.17 -0.08 -5.21 1.10 -1.18 -1.63 121.20 116.22 3phy s ILE 39 Ca 0.53 1.75 0.04 0.00 -0.51 0.00 0.00 60.65 62.46 3phy s ILE 39 Cb -0.10 -3.95 -0.08 0.00 0.15 0.00 0.00 42.46 38.48 3phy s ILE 39 CO 0.24 0.09 -0.02 0.18 -2.11 0.00 0.00 174.94 173.33 3phy n LEU 40 N 0.42 1.15 -3.53 8.50 4.77 -1.05 -4.61 117.00 122.65 3phy n LEU 40 Ca 0.03 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3phy n LEU 40 Cb 0.50 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3phy n LEU 40 CO 0.44 0.36 0.76 -1.58 -1.33 0.00 0.00 177.39 176.04 3phy s GLN 41 N -2.17 0.69 0.11 3.23 2.00 -1.26 -4.92 119.66 117.34 3phy s GLN 41 Ca -0.07 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.08 3phy s GLN 41 Cb 0.02 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.15 3phy s GLN 41 CO 0.26 -0.29 0.00 0.98 -0.50 0.00 0.00 175.29 175.73 3phy n TYR 42 N -0.09 -0.91 0.00 1.67 9.36 -1.26 -1.56 117.16 124.37 3phy n TYR 42 Ca -0.07 0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3phy n TYR 42 Cb 0.61 0.43 0.00 0.00 -0.63 0.00 0.00 39.34 39.74 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 -2.99 0.00 0.01 2.98 6.94 -1.26 -3.20 115.26 117.74 3phy n ASN 43 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 3phy n ASN 43 Cb 0.06 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.36 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 0.68 2.40 0.06 -2.53 0.00 -1.26 -3.77 120.51 116.09 3phy n ALA 44 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.83 3phy n ALA 44 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 1.75 -0.91 -0.59 0.00 0.00 -1.83 0.31 119.26 117.99 3phy h ALA 45 Ca -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3phy h ALA 45 Cb 1.29 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3phy h ALA 45 CO 0.01 -0.91 0.24 1.05 0.00 0.00 0.00 179.25 179.65 3phy h GLU 46 N -0.17 0.87 0.00 0.00 4.11 -1.86 -1.07 114.58 116.46 3phy h GLU 46 Ca -0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.26 3phy h GLU 46 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3phy h GLU 46 CO 0.01 0.74 0.00 0.78 0.07 0.00 0.00 179.01 180.61 3phy h GLY 47 N 0.81 0.00 1.63 1.06 0.00 -1.64 0.49 103.07 105.42 3phy h GLY 47 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 3phy h GLY 47 CO -0.02 0.00 -1.24 -1.80 0.00 0.00 0.00 176.54 173.48 3phy h ASP 48 N 0.00 0.00 0.24 0.19 3.58 0.96 0.33 116.42 121.72 3phy h ASP 48 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3phy h ASP 48 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3phy h ASP 48 CO 0.00 0.99 -0.12 0.40 -2.88 0.00 0.00 179.24 177.63 3phy h ILE 49 N 0.00 0.39 -0.00 2.25 1.08 -0.70 -3.32 117.51 117.21 3phy h ILE 49 Ca -0.11 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 3phy h ILE 49 Cb 1.85 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 3phy h ILE 49 CO 0.11 0.10 -0.39 0.35 -0.69 0.00 0.00 178.15 177.63 3phy n THR 50 N -4.99 0.00 -0.10 -0.27 -2.24 -0.82 -4.92 114.28 100.95 3phy n THR 50 Ca -0.06 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3phy n THR 50 Cb 0.21 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3phy n GLY 51 N 1.43 1.41 3.54 3.38 0.00 0.11 -4.95 105.19 110.12 3phy n GLY 51 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 0.40 -1.17 1.61 1.74 -0.73 -4.81 116.66 111.70 3phy n ARG 52 Ca 0.00 -0.54 -0.30 0.00 -0.77 0.00 0.00 57.85 56.24 3phy n ARG 52 Cb 0.00 -2.84 0.12 0.00 -1.02 0.00 0.00 32.46 28.72 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 7.71 3.79 -0.08 0.55 1.11 -1.26 -3.93 116.67 124.56 3phy s ASP 53 Ca 1.06 1.67 -0.13 0.00 0.18 0.00 0.00 52.55 55.33 3phy s ASP 53 Cb -0.37 -2.34 -0.09 0.00 1.07 0.00 0.00 42.92 41.18 3phy s ASP 53 CO 0.24 -2.47 0.47 1.55 1.18 0.00 0.00 175.17 176.15 3phy h PRO 54 N -1.43 -0.18 0.00 8.23 0.13 -1.90 -1.23 132.00 135.62 3phy h PRO 54 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3phy h PRO 54 Cb 1.26 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3phy h PRO 54 CO 0.52 0.10 0.00 -0.22 -0.23 0.00 0.00 178.00 178.17 3phy h LYS 55 N -1.00 0.00 0.02 0.86 3.64 -1.97 -2.56 116.57 115.57 3phy h LYS 55 Ca -0.02 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 3phy h LYS 55 Cb 0.36 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3phy h LYS 55 CO 0.03 0.00 -1.82 1.04 -2.27 0.00 0.00 179.45 176.44 3phy n GLN 56 N -2.85 0.66 -0.14 1.90 3.00 -1.24 -3.80 117.38 114.91 3phy n GLN 56 Ca -0.00 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 3phy n GLN 56 Cb 0.20 -1.76 0.11 0.00 0.00 0.00 0.00 30.24 28.80 3phy n GLN 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3phy n VAL 57 N -3.09 0.39 -2.99 5.09 0.24 -0.46 -4.72 118.33 112.78 3phy n VAL 57 Ca -0.21 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.34 61.34 3phy n VAL 57 Cb 1.06 0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 3phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3phy s ILE 58 N -1.66 4.92 0.00 1.34 1.01 -1.00 -3.45 121.20 122.37 3phy s ILE 58 Ca 0.17 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.21 3phy s ILE 58 Cb 0.09 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3phy s ILE 58 CO 0.11 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3phy n GLY 59 N 3.77 2.96 3.86 6.18 0.00 -1.26 -5.05 105.19 115.65 3phy n GLY 59 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3phy n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3phy s LYS 60 N -0.96 2.03 -0.44 1.61 -2.85 -1.22 -4.84 119.74 113.07 3phy s LYS 60 Ca 0.00 0.32 -0.10 0.00 -1.00 0.00 0.00 55.97 55.19 3phy s LYS 60 Cb 0.00 -1.94 0.09 0.00 -2.06 0.00 0.00 37.83 33.92 3phy s LYS 60 CO 0.00 -1.59 0.29 -0.80 0.10 0.00 0.00 175.35 173.35 3phy s ASN 61 N -4.31 5.69 0.27 0.03 0.02 -1.26 -3.08 114.94 112.31 3phy s ASN 61 Ca 0.61 -1.59 0.01 0.00 -1.02 0.00 0.00 52.86 50.87 3phy s ASN 61 Cb -0.12 -2.01 0.61 0.00 0.02 0.00 0.00 41.25 39.75 3phy s ASN 61 CO 0.51 -0.59 1.73 0.15 0.02 0.00 0.00 177.10 178.93 3phy h PHE 62 N 8.45 0.70 -0.08 2.20 3.57 -1.79 -1.20 116.94 128.78 3phy h PHE 62 Ca -0.23 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3phy h PHE 62 Cb 1.08 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3phy h PHE 62 CO 0.62 0.07 0.00 1.19 -2.23 0.00 0.00 178.31 177.96 3phy n PHE 63 N -4.96 0.09 -2.74 0.41 3.72 -1.26 -3.03 117.46 109.69 3phy n PHE 63 Ca 0.19 -0.05 -0.09 0.00 -0.05 0.00 0.00 57.45 57.46 3phy n PHE 63 Cb 0.53 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.15 3phy n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3phy n LYS 64 N 0.22 1.13 0.00 -1.08 0.00 -0.52 -4.47 118.16 113.44 3phy n LYS 64 Ca 0.18 -2.26 0.00 0.00 0.00 0.00 0.00 58.31 56.23 3phy n LYS 64 Cb 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 35.03 34.75 3phy n LYS 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3phy n ASP 65 N -0.22 0.00 0.04 3.14 9.92 -0.80 -4.70 116.55 123.93 3phy n ASP 65 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3phy n ASP 65 Cb 0.80 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3phy n VAL 66 N 0.00 0.96 -3.72 2.53 0.31 -1.19 -4.89 118.33 112.33 3phy n VAL 66 Ca 0.00 0.32 -0.38 0.00 -0.01 0.00 0.00 64.34 64.27 3phy n VAL 66 Cb 0.00 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.26 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 -2.00 3.20 -1.51 3.52 0.00 -1.17 -4.95 121.76 118.84 3phy s ALA 67 Ca 0.00 -2.43 0.20 0.00 0.00 0.00 0.00 51.96 49.73 3phy s ALA 67 Cb 0.00 -2.49 1.03 0.00 0.00 0.00 0.00 23.12 21.65 3phy s ALA 67 CO 0.00 -1.77 1.61 -0.35 0.00 0.00 0.00 175.76 175.26 3phy n PRO 68 N 4.70 0.33 -0.01 0.00 -0.04 -1.26 -2.85 135.00 135.87 3phy n PRO 68 Ca -0.05 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 3phy n PRO 68 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.94 0.32 -1.73 0.00 -2.24 -1.13 -3.53 114.28 104.02 3phy n THR 70 Ca -0.02 0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 3phy n THR 70 Cb 0.38 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.27 6.99 -4.48 3.42 5.68 -1.26 -1.24 116.55 124.39 3phy n ASP 71 Ca 0.10 -3.37 -0.28 0.00 -0.50 0.00 0.00 54.79 50.75 3phy n ASP 71 Cb 0.16 -1.21 -0.04 0.00 -1.14 0.00 0.00 41.12 38.89 3phy n ASP 71 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3phy n SER 72 N 0.63 3.09 0.06 -1.12 2.88 -1.23 -4.86 113.62 113.06 3phy n SER 72 Ca 0.52 -2.94 0.13 0.00 -1.33 0.00 0.00 58.87 55.24 3phy n SER 72 Cb 0.42 0.22 0.49 0.00 -0.75 0.00 0.00 64.21 64.59 3phy n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3phy n PRO 73 N -1.31 0.13 -0.05 -1.46 -0.04 -1.26 -0.24 135.00 130.78 3phy n PRO 73 Ca -0.14 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 3phy n PRO 73 Cb 0.58 -1.67 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.91 0.72 0.00 0.54 1.02 -1.26 -3.50 120.64 116.26 3phy n GLU 74 Ca 0.06 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3phy n GLU 74 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3phy n PHE 75 N -2.48 0.00 0.33 -0.32 -0.00 -1.22 -4.16 117.46 109.61 3phy n PHE 75 Ca -0.18 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.42 3phy n PHE 75 Cb 0.84 0.00 0.52 0.00 -0.00 0.00 0.00 39.48 40.84 3phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3phy h TYR 76 N 0.00 0.00 0.72 -5.13 3.20 -0.34 -2.92 116.97 112.49 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 -0.35 0.78 -1.64 0.00 0.00 178.16 176.95 3phy h GLY 77 N 2.70 -1.01 2.00 1.82 0.00 -0.67 0.35 103.07 108.27 3phy h GLY 77 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3phy h GLY 77 CO 0.00 -0.37 0.00 0.50 0.00 0.00 0.00 176.54 176.67 3phy h LYS 78 N -1.17 0.00 0.13 4.80 1.79 -1.59 -1.45 116.57 119.07 3phy h LYS 78 Ca -0.10 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.07 3phy h LYS 78 Cb 0.74 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3phy h LYS 78 CO 0.16 0.00 -1.46 0.35 -1.08 0.00 0.00 179.45 177.42 3phy h PHE 79 N 0.00 0.49 0.00 -1.35 3.04 -1.30 -1.23 116.94 116.58 3phy h PHE 79 Ca 0.00 -0.35 0.00 0.00 3.98 0.00 0.00 57.97 61.60 3phy h PHE 79 Cb 0.21 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.70 3phy h PHE 79 CO 0.00 1.37 0.00 1.63 -2.02 0.00 0.00 178.31 179.29 3phy n LYS 80 N -3.48 0.10 -0.09 1.11 4.76 0.09 -1.62 118.16 119.03 3phy n LYS 80 Ca -0.15 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.12 3phy n LYS 80 Cb 1.04 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.61 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3phy n GLU 81 N -1.45 0.66 -0.24 1.97 -0.58 -0.77 -3.16 120.64 117.08 3phy n GLU 81 Ca 0.08 0.23 -0.06 0.00 -0.42 0.00 0.00 57.16 56.99 3phy n GLU 81 Cb 0.29 -1.59 0.08 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.05 1.19 1.13 0.62 0.00 -1.20 0.26 103.07 106.12 3phy h GLY 82 Ca -0.54 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 45.96 3phy h GLY 82 CO -0.10 0.67 -0.11 -2.08 0.00 0.00 0.00 176.54 174.92 3phy h VAL 83 N 1.06 1.27 -0.00 4.60 2.07 -1.47 -0.37 116.25 123.40 3phy h VAL 83 Ca 0.23 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3phy h VAL 83 Cb 0.33 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3phy h VAL 83 CO -0.00 0.45 -0.10 0.00 0.02 0.00 0.00 177.57 177.93 3phy n ALA 84 N -2.50 2.66 0.11 1.67 0.00 -0.98 -3.60 120.51 117.87 3phy n ALA 84 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.33 3phy n ALA 84 Cb 0.40 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.28 1.64 -0.05 0.00 2.88 0.04 -4.99 113.62 111.88 3phy n SER 85 Ca 0.11 -0.15 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 3phy n SER 85 Cb 0.29 1.51 -0.00 0.00 -0.75 0.00 0.00 64.21 65.26 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 1.65 0.43 2.57 0.46 0.00 -0.17 -4.93 105.19 105.19 3phy n GLY 86 Ca -0.02 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 3phy n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3phy n ASN 87 N 1.83 -1.08 -4.67 1.61 2.85 -1.05 -5.04 115.26 109.71 3phy n ASN 87 Ca -0.01 -3.26 -0.44 0.00 -0.11 0.00 0.00 54.58 50.77 3phy n ASN 87 Cb 0.02 0.88 -0.03 0.00 1.24 0.00 0.00 39.78 41.89 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3phy n LEU 88 N 0.17 3.98 -3.14 1.20 7.94 -1.21 -4.82 117.00 121.13 3phy n LEU 88 Ca 0.10 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3phy n LEU 88 Cb 0.72 -1.49 -0.01 0.00 0.53 0.00 0.00 43.42 43.17 3phy n LEU 88 CO 0.09 0.14 0.11 0.21 -1.11 0.00 0.00 177.39 176.83 3phy s ASN 89 N 4.26 -1.48 0.12 1.96 3.04 -1.26 -0.21 114.94 121.39 3phy s ASN 89 Ca 0.90 -0.87 -0.21 0.00 0.04 0.00 0.00 52.86 52.72 3phy s ASN 89 Cb -0.50 1.89 0.06 0.00 -1.54 0.00 0.00 41.25 41.16 3phy s ASN 89 CO 0.44 -0.15 0.53 0.28 -3.04 0.00 0.00 177.10 175.16 3phy s THR 90 N 1.74 0.03 0.25 -5.21 -1.32 -0.99 -5.04 115.64 105.10 3phy s THR 90 Ca 0.18 -0.22 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3phy s THR 90 Cb -0.03 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 3phy s THR 90 CO -0.07 -0.12 0.19 0.00 -2.21 0.00 0.00 174.62 172.40 3phy s MET 91 N -3.47 1.42 -0.29 7.08 0.23 -1.26 -1.91 119.30 121.10 3phy s MET 91 Ca 0.00 -1.78 -0.31 0.00 -1.03 0.00 0.00 55.69 52.57 3phy s MET 91 Cb -0.00 0.28 0.19 0.00 -1.53 0.00 0.00 34.83 33.77 3phy s MET 91 CO -0.10 -0.49 1.37 -0.59 -2.03 0.00 0.00 175.02 173.18 3phy s PHE 92 N -3.88 -0.03 -0.44 3.16 -0.12 -1.18 -4.99 117.98 110.50 3phy s PHE 92 Ca 0.40 0.04 -0.27 0.00 -0.05 0.00 0.00 56.93 57.05 3phy s PHE 92 Cb 0.05 0.50 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 3phy s PHE 92 CO 0.18 -0.03 0.99 -2.00 -0.05 0.00 0.00 175.22 174.31 3phy s GLU 93 N -1.23 3.68 0.48 1.99 2.12 -1.26 -1.73 118.70 122.74 3phy s GLU 93 Ca 0.10 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.87 3phy s GLU 93 Cb -0.01 -3.88 0.03 0.00 0.26 0.00 0.00 34.13 30.53 3phy s GLU 93 CO -0.07 -1.19 0.27 0.98 -0.54 0.00 0.00 175.26 174.71 3phy n TYR 94 N 7.25 -0.21 -3.33 5.30 9.36 -0.73 -4.99 117.16 129.80 3phy n TYR 94 Ca 0.08 -2.13 -0.08 0.00 3.32 0.00 0.00 57.90 59.09 3phy n TYR 94 Cb 0.48 -0.37 -0.07 0.00 -0.63 0.00 0.00 39.34 38.75 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 -2.49 -0.63 -0.26 2.97 2.01 -1.26 -2.23 115.64 113.74 3phy s THR 95 Ca 0.20 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 3phy s THR 95 Cb -0.02 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.66 3phy s THR 95 CO 0.13 -0.14 1.00 -0.36 -0.69 0.00 0.00 174.62 174.56 3phy s PHE 96 N 2.56 3.27 -0.36 4.92 0.08 0.46 -4.86 117.98 124.05 3phy s PHE 96 Ca 0.13 1.29 0.13 0.00 0.12 0.00 0.00 56.93 58.60 3phy s PHE 96 Cb -0.15 -3.36 0.42 0.00 -0.57 0.00 0.00 43.02 39.36 3phy s PHE 96 CO -0.18 -0.56 1.22 -0.40 -0.10 0.00 0.00 175.22 175.20 3phy n ASP 97 N 6.43 -0.58 -4.75 1.36 5.75 -1.26 -0.92 116.55 122.58 3phy n ASP 97 Ca 0.10 -2.50 -0.40 0.00 -0.01 0.00 0.00 54.79 51.98 3phy n ASP 97 Cb 0.47 0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 40.91 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3phy s TYR 98 N -1.12 3.84 0.00 2.11 -0.85 -1.26 -4.42 117.35 115.65 3phy s TYR 98 Ca 0.23 1.83 0.00 0.00 -0.52 0.00 0.00 57.07 58.61 3phy s TYR 98 Cb 0.42 -3.08 0.00 0.00 0.38 0.00 0.00 41.96 39.68 3phy s TYR 98 CO -0.05 0.11 0.00 0.00 -1.52 0.00 0.00 175.55 174.09 3phy n GLN 99 N 1.64 -0.01 -3.79 -3.49 10.64 -1.26 -4.64 117.38 116.47 3phy n GLN 99 Ca -0.01 -0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.18 3phy n GLN 99 Cb 0.47 0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 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 -0.09 0.33 0.54 2.61 1.75 -1.26 -5.14 119.30 118.05 3phy s MET 100 Ca 0.00 -0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.04 3phy s MET 100 Cb 0.00 0.10 -0.07 0.00 2.84 0.00 0.00 34.83 37.70 3phy s MET 100 CO 0.00 -0.15 0.85 -2.37 -0.65 0.00 0.00 175.02 172.69 3phy n THR 101 N -0.69 2.96 -2.58 10.11 5.66 -1.26 -4.89 114.28 123.59 3phy n THR 101 Ca -0.03 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.11 3phy n THR 101 Cb 0.61 -1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 68.33 3phy n THR 101 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3phy s PRO 102 N -2.37 4.17 -0.04 1.09 0.04 -1.26 -4.66 135.00 131.98 3phy s PRO 102 Ca 0.71 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 3phy s PRO 102 Cb -0.46 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.60 3phy s PRO 102 CO 0.52 -0.12 0.06 0.99 0.04 0.00 0.00 177.00 178.48 3phy s THR 103 N -1.71 -0.10 -0.10 1.26 2.01 -0.10 -5.00 115.64 111.90 3phy s THR 103 Ca 0.58 0.35 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 3phy s THR 103 Cb -0.20 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 3phy s THR 103 CO 0.26 0.15 0.09 -0.75 -0.69 0.00 0.00 174.62 173.67 3phy s LYS 104 N 1.81 3.25 -0.11 4.92 2.20 -1.26 -0.40 119.74 130.14 3phy s LYS 104 Ca 0.00 -0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 3phy s LYS 104 Cb -0.12 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3phy s LYS 104 CO -0.03 0.74 0.42 0.14 -0.36 0.00 0.00 175.35 176.26 3phy s VAL 105 N -0.98 0.01 -0.32 4.02 -7.23 -0.95 -1.96 120.40 113.00 3phy s VAL 105 Ca 0.15 -0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 60.01 3phy s VAL 105 Cb -0.12 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 3phy s VAL 105 CO 0.04 -0.07 0.55 -1.59 -0.31 0.00 0.00 175.10 173.72 3phy s LYS 106 N -0.29 3.81 0.49 4.82 -2.85 -0.74 -1.78 119.74 123.20 3phy s LYS 106 Ca -0.04 0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 55.00 3phy s LYS 106 Cb -0.03 -3.75 0.00 0.00 -2.06 0.00 0.00 37.83 31.99 3phy s LYS 106 CO 0.02 -0.56 0.74 0.14 0.10 0.00 0.00 175.35 175.79 3phy s VAL 107 N 2.45 3.84 -0.29 1.79 -7.23 -0.71 -1.79 120.40 118.46 3phy s VAL 107 Ca 0.21 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 60.06 3phy s VAL 107 Cb -0.15 -3.45 0.20 0.00 0.56 0.00 0.00 36.38 33.54 3phy s VAL 107 CO 0.12 -0.35 0.59 -2.28 -0.31 0.00 0.00 175.10 172.87 3phy s HIS 108 N -2.68 -1.80 0.08 2.82 5.04 -0.50 -3.11 115.29 115.13 3phy s HIS 108 Ca 0.50 1.23 0.08 0.00 -1.54 0.00 0.00 55.06 55.33 3phy s HIS 108 Cb -0.10 0.38 -0.04 0.00 0.04 0.00 0.00 32.58 32.86 3phy s HIS 108 CO 0.40 -1.04 -0.18 -1.64 -2.34 0.00 0.00 174.74 169.94 3phy s MET 109 N 2.83 1.94 0.35 2.88 1.00 -0.80 -1.25 119.30 126.25 3phy s MET 109 Ca 0.13 -1.08 0.03 0.00 0.00 0.00 0.00 55.69 54.77 3phy s MET 109 Cb -0.11 -2.16 -0.01 0.00 0.00 0.00 0.00 34.83 32.55 3phy s MET 109 CO -0.25 0.51 0.40 0.21 0.00 0.00 0.00 175.02 175.89 3phy s LYS 110 N -1.79 1.89 -0.52 2.03 2.20 -0.02 -2.34 119.74 121.20 3phy s LYS 110 Ca 0.16 -1.91 -0.24 0.00 -0.36 0.00 0.00 55.97 53.62 3phy s LYS 110 Cb -0.11 0.39 0.04 0.00 -1.51 0.00 0.00 37.83 36.65 3phy s LYS 110 CO 0.08 -0.75 0.89 -1.59 -0.36 0.00 0.00 175.35 173.62 3phy s LYS 111 N -3.14 3.35 0.30 4.03 -2.85 0.71 -1.62 119.74 120.52 3phy s LYS 111 Ca 0.35 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.79 3phy s LYS 111 Cb 0.01 -4.02 -0.13 0.00 -2.06 0.00 0.00 37.83 31.63 3phy s LYS 111 CO 0.25 -1.38 1.37 0.00 0.10 0.00 0.00 175.35 175.70 3phy n ALA 112 N 7.20 1.39 -0.70 0.59 0.00 -1.17 -4.83 120.51 123.00 3phy n ALA 112 Ca 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 3phy n ALA 112 Cb 0.48 -2.29 0.28 0.00 0.00 0.00 0.00 19.45 17.92 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 1.45 5.41 0.08 0.00 -0.00 -1.26 -2.87 117.00 119.81 3phy n LEU 113 Ca 0.08 -2.79 0.04 0.00 -0.00 0.00 0.00 56.01 53.33 3phy n LEU 113 Cb 0.34 -0.70 -0.03 0.00 -0.00 0.00 0.00 43.42 43.03 3phy n LEU 113 CO 0.63 0.70 -0.03 0.28 -0.00 0.00 0.00 177.39 178.96 3phy h SER 114 N 2.59 0.00 0.00 1.45 0.02 -1.94 -3.44 113.55 112.23 3phy h SER 114 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3phy h SER 114 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3phy h SER 114 CO 0.59 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 3phy n GLY 115 N 1.30 0.00 2.96 -3.77 0.00 -1.26 -5.01 105.19 99.42 3phy n GLY 115 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.37 0.00 1.61 -0.08 -1.21 -5.04 116.55 105.46 3phy n ASP 116 Ca 0.00 -0.43 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 3phy n ASP 116 Cb 0.00 -4.63 0.00 0.00 2.34 0.00 0.00 41.12 38.83 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3phy n SER 117 N -2.55 1.33 -3.37 1.67 7.64 -1.14 -4.72 113.62 112.49 3phy n SER 117 Ca -0.04 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.71 3phy n SER 117 Cb 0.57 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N 1.36 -0.68 0.04 1.43 2.02 -1.08 -3.06 117.35 117.38 3phy s TYR 118 Ca 0.00 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3phy s TYR 118 Cb 0.00 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3phy s TYR 118 CO 0.00 -0.87 0.11 1.67 -1.57 0.00 0.00 175.55 174.89 3phy s TRP 119 N 2.45 3.31 -0.24 2.71 1.48 -0.64 -1.07 118.94 126.94 3phy s TRP 119 Ca 0.10 0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.30 3phy s TRP 119 Cb -0.14 -1.70 0.07 0.00 -1.16 0.00 0.00 33.47 30.54 3phy s TRP 119 CO -0.27 0.55 0.02 0.08 -4.06 0.00 0.00 176.95 173.28 3phy s VAL 120 N -1.33 1.00 -0.20 -0.66 1.01 -0.73 -0.84 120.40 118.65 3phy s VAL 120 Ca 0.28 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 3phy s VAL 120 Cb -0.12 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3phy s VAL 120 CO 0.20 -0.30 0.53 -0.36 0.00 0.00 0.00 175.10 175.17 3phy s PHE 121 N 1.61 3.37 -0.29 5.22 0.08 -0.38 -2.12 117.98 125.47 3phy s PHE 121 Ca 0.00 0.78 -0.09 0.00 0.12 0.00 0.00 56.93 57.74 3phy s PHE 121 Cb -0.18 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 3phy s PHE 121 CO -0.11 -0.12 0.12 0.08 -0.10 0.00 0.00 175.22 175.09 3phy s VAL 122 N 1.69 4.45 -0.46 -0.44 1.01 -0.21 -1.41 120.40 125.02 3phy s VAL 122 Ca 0.24 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 3phy s VAL 122 Cb -0.15 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3phy s VAL 122 CO 0.10 0.15 0.55 -0.75 0.00 0.00 0.00 175.10 175.14 3phy s LYS 123 N 1.60 3.13 0.15 2.72 2.20 -0.74 -0.12 119.74 128.68 3phy s LYS 123 Ca 0.05 -0.78 -0.33 0.00 -0.36 0.00 0.00 55.97 54.55 3phy s LYS 123 Cb -0.17 -4.03 -0.13 0.00 -1.51 0.00 0.00 37.83 32.00 3phy s LYS 123 CO 0.05 -1.05 1.69 -2.13 -0.36 0.00 0.00 175.35 173.56 3phy n ARG 124 N 5.94 2.46 0.00 4.03 0.63 -1.19 -1.80 116.66 126.73 3phy n ARG 124 Ca -0.06 0.89 0.15 0.00 -0.92 0.00 0.00 57.85 57.90 3phy n ARG 124 Cb 0.46 -2.71 0.64 0.00 0.45 0.00 0.00 32.46 31.31 3phy n ARG 124 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40