#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 4.01 -3.67 0.03 4.07 -1.26 -4.90 120.64 118.93 3phy n GLU 2 Ca 0.00 -2.44 -0.23 0.00 -0.06 0.00 0.00 57.16 54.43 3phy n GLU 2 Cb 0.00 -2.10 0.05 0.00 -0.06 0.00 0.00 31.44 29.34 3phy n GLU 2 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 3phy n HIS 3 N 0.47 -2.25 -1.76 4.31 -0.00 -1.26 -4.82 115.22 109.90 3phy n HIS 3 Ca 0.22 0.91 -0.39 0.00 0.46 0.00 0.00 57.72 58.92 3phy n HIS 3 Cb 0.99 -4.58 -0.03 0.00 -0.12 0.00 0.00 29.99 26.25 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3phy s VAL 4 N -3.45 3.17 -1.07 3.57 0.11 -1.26 -3.57 120.40 117.90 3phy s VAL 4 Ca 0.27 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 3phy s VAL 4 Cb -0.13 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 3phy s VAL 4 CO 0.78 -0.30 0.79 0.00 -3.33 0.00 0.00 175.10 173.04 3phy n ALA 5 N 13.36 -2.56 -1.58 1.54 0.00 -1.23 0.19 120.51 130.23 3phy n ALA 5 Ca 0.29 -0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 3phy n ALA 5 Cb 0.51 -3.90 -0.07 0.00 0.00 0.00 0.00 19.45 15.99 3phy n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3phy n PHE 6 N -3.79 -0.06 0.00 0.00 7.35 -1.23 -0.27 117.46 119.46 3phy n PHE 6 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 3phy n PHE 6 Cb 0.59 -3.12 0.00 0.00 0.35 0.00 0.00 39.48 37.31 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3phy n GLY 7 N -0.77 3.31 3.80 7.13 0.00 0.23 -4.89 105.19 114.00 3phy n GLY 7 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3phy n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3phy s SER 8 N -0.61 4.26 -0.77 1.61 0.01 0.51 -4.54 113.70 114.16 3phy s SER 8 Ca 0.00 1.23 0.03 0.00 1.31 0.00 0.00 55.95 58.51 3phy s SER 8 Cb 0.00 -1.92 0.30 0.00 0.21 0.00 0.00 66.02 64.60 3phy s SER 8 CO 0.00 -2.11 1.12 -0.62 0.41 0.00 0.00 173.24 172.05 3phy n GLU 9 N -3.51 3.59 -3.01 12.44 4.71 -1.26 -3.52 120.64 130.08 3phy n GLU 9 Ca 0.07 -4.71 -0.14 0.00 -0.01 0.00 0.00 57.16 52.37 3phy n GLU 9 Cb 0.57 -2.34 0.02 0.00 -1.01 0.00 0.00 31.44 28.68 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3phy n ASP 10 N 0.49 -7.32 -0.06 1.62 9.92 -1.26 -4.82 116.55 115.11 3phy n ASP 10 Ca 0.32 0.48 -0.07 0.00 -0.53 0.00 0.00 54.79 54.99 3phy n ASP 10 Cb 0.36 -4.31 -0.05 0.00 -0.64 0.00 0.00 41.12 36.49 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 2.24 0.61 -1.55 0.53 1.08 -1.95 -3.14 117.51 115.33 3phy h ILE 11 Ca -0.14 -1.50 0.45 0.00 -0.39 0.00 0.00 64.86 63.28 3phy h ILE 11 Cb 0.97 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 3phy h ILE 11 CO 0.18 0.21 1.32 -0.08 -0.69 0.00 0.00 178.15 179.09 3phy h GLU 12 N -1.00 0.00 0.13 2.37 4.81 -1.98 0.87 114.58 119.78 3phy h GLU 12 Ca -0.03 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 3phy h GLU 12 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3phy h GLU 12 CO -0.02 0.00 -1.58 -0.91 -0.73 0.00 0.00 179.01 175.76 3phy h ASN 13 N 0.00 0.42 0.76 1.04 2.35 -1.94 -3.21 115.58 115.01 3phy h ASN 13 Ca 0.74 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3phy h ASN 13 Cb 3.37 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 41.60 3phy h ASN 13 CO -0.01 1.70 0.00 0.41 -1.65 0.00 0.00 177.43 177.88 3phy n THR 14 N -3.80 0.82 0.17 2.81 -1.04 0.27 -2.10 114.28 111.41 3phy n THR 14 Ca -0.26 0.20 0.11 0.00 -2.04 0.00 0.00 64.05 62.06 3phy n THR 14 Cb 0.96 -1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.20 0.56 0.01 -4.42 4.77 0.58 -3.66 117.00 112.64 3phy n LEU 15 Ca 0.02 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 3phy n LEU 15 Cb 0.24 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 3phy n LEU 15 CO 0.20 -0.09 -0.68 0.00 -1.33 0.00 0.00 177.39 175.49 3phy h ALA 16 N 2.11 0.32 -1.43 -1.18 0.00 -1.46 -3.37 119.26 114.25 3phy h ALA 16 Ca 0.00 -1.28 -0.74 0.00 0.00 0.00 0.00 54.91 52.88 3phy h ALA 16 Cb 0.95 0.63 -0.31 0.00 0.00 0.00 0.00 17.79 19.05 3phy h ALA 16 CO 0.00 1.13 0.59 1.17 0.00 0.00 0.00 179.25 182.14 3phy n LYS 17 N -3.65 4.40 -3.59 0.00 4.81 -0.89 -5.00 118.16 114.24 3phy n LYS 17 Ca -0.29 -4.50 -0.24 0.00 -0.87 0.00 0.00 58.31 52.41 3phy n LYS 17 Cb 1.00 -2.37 0.01 0.00 0.02 0.00 0.00 35.03 33.69 3phy n LYS 17 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3phy n MET 18 N -0.21 0.72 0.09 1.64 1.56 -1.24 -4.88 117.12 114.80 3phy n MET 18 Ca 0.44 -3.18 0.00 0.00 -0.27 0.00 0.00 57.70 54.69 3phy n MET 18 Cb 0.31 0.28 0.00 0.00 2.15 0.00 0.00 33.22 35.96 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3phy n ASP 19 N -1.90 -0.01 0.01 6.12 9.92 -1.26 -5.09 116.55 124.34 3phy n ASP 19 Ca -0.00 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 3phy n ASP 19 Cb 0.58 0.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3phy n ASP 20 N -3.20 -0.15 -2.66 -2.24 -0.08 -1.26 -4.97 116.55 101.99 3phy n ASP 20 Ca 0.00 0.15 -0.33 0.00 -1.51 0.00 0.00 54.79 53.10 3phy n ASP 20 Cb 0.02 0.30 -0.00 0.00 2.34 0.00 0.00 41.12 43.78 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3phy n GLY 21 N -1.06 4.97 1.11 0.27 0.00 -1.26 -4.39 105.19 104.83 3phy n GLY 21 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.10 0.00 0.00 1.61 6.02 -1.26 -4.69 117.38 119.15 3phy n GLN 22 Ca 0.51 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.56 3phy n GLN 22 Cb 0.41 -0.46 0.24 0.00 1.02 0.00 0.00 30.24 31.45 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 -3.28 0.00 -0.16 1.08 -0.00 -1.26 -2.01 117.00 111.36 3phy n LEU 23 Ca 0.00 0.47 0.14 0.00 -0.00 0.00 0.00 56.01 56.63 3phy n LEU 23 Cb 0.18 -0.47 0.66 0.00 -0.00 0.00 0.00 43.42 43.79 3phy n LEU 23 CO 0.00 -0.30 0.92 0.47 -0.00 0.00 0.00 177.39 178.48 3phy n ASP 24 N -1.47 0.57 -2.26 1.45 8.00 -1.26 -3.68 116.55 117.89 3phy n ASP 24 Ca 0.03 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 3phy n ASP 24 Cb 0.12 -0.04 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.20 5.28 3.36 0.44 0.00 -0.85 -4.68 105.19 109.94 3phy n GLY 25 Ca 0.17 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.59 2.31 -0.24 0.99 1.43 -1.24 -5.01 118.68 113.33 3phy s LEU 26 Ca 0.61 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3phy s LEU 26 Cb 0.49 -1.14 0.53 0.00 0.03 0.00 0.00 46.19 46.10 3phy s LEU 26 CO 0.04 0.15 1.50 0.00 0.23 0.00 0.00 176.35 178.28 3phy n ALA 27 N 1.01 4.04 -3.56 4.21 0.00 -1.26 -4.64 120.51 120.30 3phy n ALA 27 Ca -0.18 -1.67 -0.11 0.00 0.00 0.00 0.00 53.44 51.48 3phy n ALA 27 Cb 0.53 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.28 -0.64 0.03 0.00 -0.71 -1.26 -3.26 117.98 109.86 3phy s PHE 28 Ca 0.39 1.41 -0.30 0.00 -1.04 0.00 0.00 56.93 57.39 3phy s PHE 28 Cb 0.31 0.28 -0.07 0.00 -1.21 0.00 0.00 43.02 42.34 3phy s PHE 28 CO 0.10 -0.33 1.51 0.20 -1.34 0.00 0.00 175.22 175.35 3phy s GLY 29 N 0.96 1.73 -0.36 1.99 0.00 -0.53 -4.71 107.32 106.41 3phy s GLY 29 Ca -0.06 1.02 -0.09 0.00 0.00 0.00 0.00 44.72 45.59 3phy s GLY 29 CO -0.08 2.67 0.17 0.00 0.00 0.00 0.00 173.10 175.85 3phy s ALA 30 N 2.48 3.20 0.14 3.20 0.00 -1.07 -1.58 121.76 128.13 3phy s ALA 30 Ca 0.68 -1.71 0.10 0.00 0.00 0.00 0.00 51.96 51.03 3phy s ALA 30 Cb -0.35 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3phy s ALA 30 CO 0.29 -1.34 -0.19 0.96 0.00 0.00 0.00 175.76 175.48 3phy s ILE 31 N 1.50 2.74 0.38 0.00 -5.25 -1.10 -3.50 121.20 115.98 3phy s ILE 31 Ca 0.01 -1.66 0.08 0.00 -0.99 0.00 0.00 60.65 58.08 3phy s ILE 31 Cb -0.19 -2.28 -0.05 0.00 2.95 0.00 0.00 42.46 42.89 3phy s ILE 31 CO 0.05 0.02 0.16 -1.10 -1.79 0.00 0.00 174.94 172.29 3phy s GLN 32 N -2.35 2.27 -0.14 0.37 -0.21 -0.71 -1.37 119.66 117.53 3phy s GLN 32 Ca 0.19 -1.72 -0.13 0.00 0.02 0.00 0.00 55.36 53.72 3phy s GLN 32 Cb -0.10 -2.06 0.04 0.00 1.00 0.00 0.00 33.01 31.89 3phy s GLN 32 CO 0.10 -0.02 0.36 -0.51 -2.12 0.00 0.00 175.29 173.10 3phy s LEU 33 N -3.88 0.61 0.53 2.90 1.43 0.15 -2.01 118.68 118.41 3phy s LEU 33 Ca 0.40 0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3phy s LEU 33 Cb 0.01 1.24 0.02 0.00 0.03 0.00 0.00 46.19 47.49 3phy s LEU 33 CO 0.23 -0.13 0.76 -0.62 0.23 0.00 0.00 176.35 176.82 3phy s ASP 34 N 0.20 5.47 0.65 2.29 2.15 -0.15 -2.19 116.67 125.09 3phy s ASP 34 Ca -0.00 0.19 0.22 0.00 0.43 0.00 0.00 52.55 53.38 3phy s ASP 34 Cb -0.03 -1.19 1.14 0.00 -0.30 0.00 0.00 42.92 42.54 3phy s ASP 34 CO 0.00 -1.01 1.64 1.23 -0.17 0.00 0.00 175.17 176.86 3phy h GLY 35 N 0.12 0.00 -1.95 2.66 0.00 -1.92 0.39 103.07 102.38 3phy h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3phy h GLY 35 CO 0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.31 3phy n ASP 36 N -2.91 2.88 -0.51 0.19 9.92 -1.26 -4.87 116.55 120.00 3phy n ASP 36 Ca 0.01 -2.15 -0.05 0.00 -0.53 0.00 0.00 54.79 52.07 3phy n ASP 36 Cb 0.65 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.73 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 37 N 1.03 0.35 3.70 0.44 0.00 0.14 -4.96 105.19 105.89 3phy n GLY 37 Ca 0.16 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.83 6.32 0.29 1.61 0.01 -1.21 -1.74 114.94 117.38 3phy s ASN 38 Ca 0.00 0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 52.21 3phy s ASN 38 Cb 0.00 -2.16 -0.12 0.00 0.41 0.00 0.00 41.25 39.39 3phy s ASN 38 CO 0.00 0.07 1.60 -0.38 -1.51 0.00 0.00 177.10 176.88 3phy n ILE 39 N 3.90 0.97 -0.06 0.60 -0.00 -1.16 -0.98 119.36 122.62 3phy n ILE 39 Ca -0.13 -0.24 -0.06 0.00 -0.00 0.00 0.00 62.75 62.32 3phy n ILE 39 Cb 0.52 -1.95 -0.11 0.00 -0.00 0.00 0.00 39.64 38.10 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3phy n LEU 40 N 2.26 0.00 -3.62 1.39 4.77 -0.85 -4.03 117.00 116.92 3phy n LEU 40 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3phy n LEU 40 Cb 0.36 0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 3phy n LEU 40 CO 0.64 0.32 0.24 -1.58 -1.33 0.00 0.00 177.39 175.68 3phy s GLN 41 N -2.36 1.20 0.31 3.23 -0.44 -1.26 -4.89 119.66 115.44 3phy s GLN 41 Ca -0.07 -0.71 0.00 0.00 -2.50 0.00 0.00 55.36 52.08 3phy s GLN 41 Cb 0.04 0.51 0.00 0.00 -1.64 0.00 0.00 33.01 31.92 3phy s GLN 41 CO 0.56 -0.49 0.00 0.98 0.50 0.00 0.00 175.29 176.84 3phy n TYR 42 N -0.29 -2.83 0.00 1.67 9.36 -1.23 -1.74 117.16 122.11 3phy n TYR 42 Ca -0.14 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.71 3phy n TYR 42 Cb 0.64 1.20 0.00 0.00 -0.63 0.00 0.00 39.34 40.55 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 -3.41 0.00 0.02 2.98 6.94 -1.26 -2.60 115.26 117.93 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 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 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 1.64 3.57 0.24 -2.53 0.00 -1.26 -4.02 120.51 118.15 3phy n ALA 44 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 3phy n ALA 44 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 2.63 -1.13 0.00 0.00 0.00 -1.83 0.17 119.26 119.09 3phy h ALA 45 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3phy h ALA 45 Cb 0.69 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3phy h ALA 45 CO 0.00 -1.10 -0.00 1.05 0.00 0.00 0.00 179.25 179.20 3phy h GLU 46 N -0.64 -0.00 0.00 0.00 4.11 -1.84 -0.72 114.58 115.49 3phy h GLU 46 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3phy h GLU 46 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3phy h GLU 46 CO 0.08 0.02 0.16 0.78 0.07 0.00 0.00 179.01 180.12 3phy h GLY 47 N -0.02 0.00 1.33 1.06 0.00 -1.54 0.14 103.07 104.05 3phy h GLY 47 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3phy h GLY 47 CO 0.00 0.00 -1.03 -0.55 0.00 0.00 0.00 176.54 174.96 3phy h ASP 48 N 0.00 0.78 0.03 0.19 3.32 0.91 0.50 116.42 122.15 3phy h ASP 48 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 3phy h ASP 48 Cb 0.33 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3phy h ASP 48 CO 0.00 1.44 -0.02 0.40 -1.72 0.00 0.00 179.24 179.34 3phy h ILE 49 N 0.33 0.09 0.00 0.35 1.08 -0.63 -3.33 117.51 115.39 3phy h ILE 49 Ca -0.12 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 3phy h ILE 49 Cb 1.68 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 3phy h ILE 49 CO 0.19 0.03 0.00 0.35 -0.69 0.00 0.00 178.15 178.03 3phy n THR 50 N -4.80 0.16 -0.73 -0.27 -2.24 -0.28 -4.87 114.28 101.25 3phy n THR 50 Ca -0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3phy n THR 50 Cb 0.04 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 1.24 1.41 3.57 3.38 0.00 0.17 -4.93 105.19 110.03 3phy n GLY 51 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 3.03 1.17 1.61 0.52 -0.99 -4.85 118.95 119.40 3phy s ARG 52 Ca 0.00 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 3phy s ARG 52 Cb 0.00 -5.28 0.21 0.00 0.52 0.00 0.00 34.95 30.40 3phy s ARG 52 CO 0.00 -3.12 0.41 -0.25 0.02 0.00 0.00 175.30 172.36 3phy n ASP 53 N 11.97 -2.76 0.08 0.23 9.92 -1.26 -3.20 116.55 131.54 3phy n ASP 53 Ca 0.42 -0.34 -0.09 0.00 -0.53 0.00 0.00 54.79 54.25 3phy n ASP 53 Cb 0.47 -0.97 -0.06 0.00 -0.64 0.00 0.00 41.12 39.92 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 -2.63 0.14 0.08 -0.24 0.13 -1.94 -2.85 132.00 124.70 3phy h PRO 54 Ca -0.46 -0.19 -0.26 0.00 -0.87 0.00 0.00 66.00 64.22 3phy h PRO 54 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3phy h PRO 54 CO 0.33 1.01 -1.23 -0.22 -0.23 0.00 0.00 178.00 177.65 3phy h LYS 55 N 0.06 0.18 -0.20 0.86 3.64 -1.94 -3.18 116.57 115.99 3phy h LYS 55 Ca -0.05 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 3phy h LYS 55 Cb 1.67 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 3phy h LYS 55 CO 0.14 1.11 -0.42 0.37 -2.27 0.00 0.00 179.45 178.38 3phy h GLN 56 N 0.05 0.64 0.00 1.90 4.15 -1.92 -2.74 115.11 117.20 3phy h GLN 56 Ca -0.12 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3phy h GLN 56 Cb 1.92 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.67 3phy h GLN 56 CO 0.17 1.04 0.00 1.33 -1.93 0.00 0.00 178.83 179.44 3phy n VAL 57 N -4.22 1.03 -2.18 2.39 0.24 -1.08 -4.38 118.33 110.13 3phy n VAL 57 Ca -0.06 0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 62.08 3phy n VAL 57 Cb 0.55 -1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.91 3.72 0.00 1.34 1.01 -1.04 -1.31 121.20 122.02 3phy s ILE 58 Ca 0.07 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3phy s ILE 58 Cb 0.08 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3phy s ILE 58 CO 0.22 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3phy n GLY 59 N 3.78 2.40 3.70 6.18 0.00 -1.26 -5.00 105.19 114.98 3phy n GLY 59 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.44 4.47 0.09 1.61 -0.14 -0.42 -4.80 119.74 120.11 3phy s LYS 60 Ca 0.00 1.43 -0.31 0.00 -1.36 0.00 0.00 55.97 55.74 3phy s LYS 60 Cb 0.00 -3.50 -0.08 0.00 -1.68 0.00 0.00 37.83 32.57 3phy s LYS 60 CO 0.00 -0.21 1.48 1.21 -0.76 0.00 0.00 175.35 177.07 3phy s ASN 61 N 1.08 6.73 0.27 2.83 3.04 -1.26 -3.01 114.94 124.63 3phy s ASN 61 Ca 0.51 2.38 0.20 0.00 0.04 0.00 0.00 52.86 55.98 3phy s ASN 61 Cb -0.20 -2.58 1.01 0.00 -1.54 0.00 0.00 41.25 37.94 3phy s ASN 61 CO 0.23 -0.75 1.60 0.33 -3.04 0.00 0.00 177.10 175.47 3phy n PHE 62 N 4.58 0.66 0.01 0.43 7.35 -0.71 -1.85 117.46 127.93 3phy n PHE 62 Ca 0.13 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 3phy n PHE 62 Cb 0.41 -1.02 0.01 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.17 0.02 -2.70 -5.13 3.72 -1.26 -2.89 117.46 107.05 3phy n PHE 63 Ca -0.00 -0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.05 3phy n PHE 63 Cb 0.07 -0.03 0.09 0.00 -0.94 0.00 0.00 39.48 38.67 3phy n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3phy n LYS 64 N -0.23 1.27 0.00 -1.08 5.02 -0.81 -4.61 118.16 117.73 3phy n LYS 64 Ca 0.01 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 3phy n LYS 64 Cb 0.16 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3phy n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3phy n ASP 65 N -0.58 0.00 -0.03 4.39 8.00 -1.07 -4.47 116.55 122.79 3phy n ASP 65 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 3phy n ASP 65 Cb 0.84 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3phy n VAL 66 N 0.00 0.44 -3.18 2.53 0.31 -0.77 -4.90 118.33 112.75 3phy n VAL 66 Ca 0.00 -0.29 0.02 0.00 -0.01 0.00 0.00 64.34 64.06 3phy n VAL 66 Cb 0.00 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.23 -2.36 -0.33 3.52 0.00 -1.14 -4.98 121.76 114.25 3phy s ALA 67 Ca -0.04 0.62 0.27 0.00 0.00 0.00 0.00 51.96 52.81 3phy s ALA 67 Cb 0.03 -2.63 0.81 0.00 0.00 0.00 0.00 23.12 21.32 3phy s ALA 67 CO 0.30 -2.02 1.76 -1.00 0.00 0.00 0.00 175.76 174.80 3phy h PRO 68 N 7.50 0.00 0.00 0.00 0.13 -1.84 -2.86 132.00 134.93 3phy h PRO 68 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3phy h PRO 68 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3phy h PRO 68 CO 0.13 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 177.86 3phy n THR 70 N -3.11 0.03 -1.56 0.00 -2.24 -1.08 -4.10 114.28 102.22 3phy n THR 70 Ca 0.04 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3phy n THR 70 Cb 0.53 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.60 6.78 -4.23 3.42 -0.08 -1.17 -1.34 116.55 119.32 3phy n ASP 71 Ca 0.11 -3.11 -0.28 0.00 -1.51 0.00 0.00 54.79 50.00 3phy n ASP 71 Cb 0.07 -1.29 -0.07 0.00 2.34 0.00 0.00 41.12 42.18 3phy n ASP 71 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3phy n SER 72 N 1.30 2.29 0.06 1.67 3.41 -1.26 -4.91 113.62 116.18 3phy n SER 72 Ca 0.52 -3.17 0.13 0.00 -0.26 0.00 0.00 58.87 56.10 3phy n SER 72 Cb 0.51 0.69 0.49 0.00 -0.26 0.00 0.00 64.21 65.64 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 -1.07 0.15 -0.04 4.33 -0.04 -1.26 -0.42 135.00 136.64 3phy n PRO 73 Ca -0.13 0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 3phy n PRO 73 Cb 0.62 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.95 0.66 0.00 0.54 1.02 -1.26 -3.14 120.64 116.51 3phy n GLU 74 Ca 0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3phy n GLU 74 Cb 0.37 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.71 0.00 0.30 -0.32 -0.00 -1.22 -4.17 117.46 109.34 3phy n PHE 75 Ca -0.19 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.42 3phy n PHE 75 Cb 0.94 0.00 0.56 0.00 -0.00 0.00 0.00 39.48 40.97 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 0.78 -5.13 3.20 -0.42 -2.91 116.97 112.48 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 -0.37 0.78 -1.64 0.00 0.00 178.16 176.93 3phy h GLY 77 N 2.51 -1.09 2.00 1.82 0.00 -0.76 0.36 103.07 107.92 3phy h GLY 77 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3phy h GLY 77 CO 0.00 -0.40 0.00 0.28 0.00 0.00 0.00 176.54 176.42 3phy n LYS 78 N -5.47 0.16 0.06 4.80 4.76 -1.19 -1.79 118.16 119.49 3phy n LYS 78 Ca -0.13 0.52 -0.17 0.00 -2.87 0.00 0.00 58.31 55.66 3phy n LYS 78 Cb 0.41 -1.90 -0.14 0.00 -1.84 0.00 0.00 35.03 31.56 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 0.46 0.00 2.13 3.04 -1.28 -1.59 116.94 119.70 3phy h PHE 79 Ca 0.00 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.61 3phy h PHE 79 Cb 0.19 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.68 3phy h PHE 79 CO 0.00 1.42 0.00 1.63 -2.02 0.00 0.00 178.31 179.34 3phy n LYS 80 N -3.45 0.12 -0.10 1.11 5.02 0.09 -1.64 118.16 119.31 3phy n LYS 80 Ca -0.18 0.19 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 3phy n LYS 80 Cb 1.05 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.87 0.67 -0.35 1.97 0.28 -0.99 -3.38 120.64 116.97 3phy n GLU 81 Ca 0.05 0.20 -0.01 0.00 -0.16 0.00 0.00 57.16 57.25 3phy n GLU 81 Cb 0.31 -1.57 0.14 0.00 1.43 0.00 0.00 31.44 31.76 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 1.35 1.37 0.94 -1.84 0.00 -1.24 0.72 103.07 104.36 3phy h GLY 82 Ca -0.55 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.25 3phy h GLY 82 CO -0.09 0.47 0.13 -2.08 0.00 0.00 0.00 176.54 174.97 3phy h VAL 83 N 1.28 1.21 -0.18 4.60 2.07 -1.47 -1.66 116.25 122.10 3phy h VAL 83 Ca 0.36 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3phy h VAL 83 Cb -0.10 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3phy h VAL 83 CO -0.09 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3phy n ALA 84 N -2.32 2.51 -0.04 1.67 0.00 -0.78 -3.93 120.51 117.62 3phy n ALA 84 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 3phy n ALA 84 Cb 0.17 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 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 1.55 0.00 0.00 2.88 0.24 -5.00 113.62 113.72 3phy n SER 85 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3phy n SER 85 Cb 0.35 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.05 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 1.91 0.66 2.68 0.46 0.00 -0.65 -4.96 105.19 105.29 3phy n GLY 86 Ca -0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 1.63 -1.55 -4.66 1.61 2.85 -1.17 -5.10 115.26 108.87 3phy n ASN 87 Ca 0.00 -2.39 -0.42 0.00 -0.11 0.00 0.00 54.58 51.66 3phy n ASN 87 Cb 0.38 1.37 -0.03 0.00 1.24 0.00 0.00 39.78 42.74 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3phy s LEU 88 N -1.49 4.37 -0.46 1.20 0.20 -1.23 -4.83 118.68 116.44 3phy s LEU 88 Ca 0.21 2.63 0.07 0.00 0.69 0.00 0.00 54.13 57.73 3phy s LEU 88 Cb 0.29 -3.53 0.19 0.00 -0.43 0.00 0.00 46.19 42.71 3phy s LEU 88 CO -0.16 -1.12 0.69 0.54 -0.29 0.00 0.00 176.35 176.01 3phy s ASN 89 N 4.75 -1.47 0.05 3.68 4.22 -1.26 -1.53 114.94 123.38 3phy s ASN 89 Ca 0.90 -1.23 0.03 0.00 -2.14 0.00 0.00 52.86 50.42 3phy s ASN 89 Cb -0.42 1.90 -0.02 0.00 1.28 0.00 0.00 41.25 43.99 3phy s ASN 89 CO 0.41 -0.11 -0.10 0.28 -2.04 0.00 0.00 177.10 175.55 3phy s THR 90 N 1.37 0.71 0.14 0.54 -1.32 -0.99 -5.04 115.64 111.06 3phy s THR 90 Ca 0.23 -1.11 -0.01 0.00 -1.21 0.00 0.00 61.69 59.59 3phy s THR 90 Cb -0.02 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3phy s THR 90 CO -0.06 -0.31 0.08 0.00 -2.21 0.00 0.00 174.62 172.12 3phy s MET 91 N -1.55 0.98 0.00 7.08 0.23 -1.26 -2.11 119.30 122.67 3phy s MET 91 Ca -0.07 -1.46 0.00 0.00 -1.03 0.00 0.00 55.69 53.13 3phy s MET 91 Cb -0.10 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 3phy s MET 91 CO 0.01 -0.29 0.00 1.97 -2.03 0.00 0.00 175.02 174.68 3phy n PHE 92 N -0.13 0.00 -3.67 3.16 1.16 -1.17 -5.01 117.46 111.80 3phy n PHE 92 Ca -0.04 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.15 3phy n PHE 92 Cb 0.64 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.39 3phy n PHE 92 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3phy s GLU 93 N -2.00 3.23 0.47 3.97 0.41 -1.26 -2.48 118.70 121.04 3phy s GLU 93 Ca 0.00 -0.78 0.06 0.00 -0.41 0.00 0.00 54.97 53.84 3phy s GLU 93 Cb 0.00 -3.54 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 3phy s GLU 93 CO 0.00 -0.45 0.24 -0.47 -0.49 0.00 0.00 175.26 174.09 3phy s TYR 94 N 1.58 2.20 -0.22 1.61 5.04 -1.09 -5.01 117.35 121.47 3phy s TYR 94 Ca 0.04 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 53.92 3phy s TYR 94 Cb -0.17 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.33 3phy s TYR 94 CO 0.05 -0.04 0.26 0.99 -1.34 0.00 0.00 175.55 175.47 3phy s THR 95 N -2.68 -0.38 -0.21 4.34 2.01 -1.26 -2.14 115.64 115.31 3phy s THR 95 Ca 0.34 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 3phy s THR 95 Cb 0.01 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.78 3phy s THR 95 CO 0.20 -0.23 0.99 -0.36 -0.69 0.00 0.00 174.62 174.52 3phy s PHE 96 N 2.37 3.36 -0.32 4.92 0.08 -0.74 -4.87 117.98 122.77 3phy s PHE 96 Ca 0.08 1.42 0.17 0.00 0.12 0.00 0.00 56.93 58.72 3phy s PHE 96 Cb -0.15 -3.21 0.47 0.00 -0.57 0.00 0.00 43.02 39.55 3phy s PHE 96 CO -0.16 -0.42 1.02 -3.47 -0.10 0.00 0.00 175.22 172.09 3phy n ASP 97 N 6.04 2.01 -3.96 1.36 2.03 -1.26 -1.17 116.55 121.59 3phy n ASP 97 Ca 0.10 -2.71 -0.42 0.00 0.52 0.00 0.00 54.79 52.28 3phy n ASP 97 Cb 0.47 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 3phy n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3phy n TYR 98 N -0.26 3.68 -2.45 -0.67 0.18 -1.26 -4.26 117.16 112.12 3phy n TYR 98 Ca 0.14 -2.82 -0.17 0.00 1.88 0.00 0.00 57.90 56.94 3phy n TYR 98 Cb 0.80 -2.52 0.00 0.00 -0.38 0.00 0.00 39.34 37.25 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 6.81 -1.98 -3.50 -3.48 -0.00 -1.26 -4.97 117.38 109.00 3phy n GLN 99 Ca 0.51 0.77 -0.11 0.00 -0.00 0.00 0.00 57.00 58.16 3phy n GLN 99 Cb 0.41 -5.18 -0.02 0.00 -0.00 0.00 0.00 30.24 25.45 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3phy n MET 100 N -2.76 0.61 -1.38 2.61 1.56 -1.26 -5.14 117.12 111.36 3phy n MET 100 Ca -0.16 -2.23 -0.36 0.00 -0.27 0.00 0.00 57.70 54.67 3phy n MET 100 Cb 0.63 2.20 0.08 0.00 2.15 0.00 0.00 33.22 38.28 3phy n MET 100 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 3phy n THR 101 N -0.47 2.77 -2.25 1.12 5.66 -1.26 -4.77 114.28 115.09 3phy n THR 101 Ca -0.00 -0.40 -0.33 0.00 -3.05 0.00 0.00 64.05 60.27 3phy n THR 101 Cb 0.48 -1.03 -0.04 0.00 -1.55 0.00 0.00 70.33 68.18 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 -3.12 3.00 -0.79 1.09 0.04 -1.26 -4.54 135.00 129.41 3phy s PRO 102 Ca 0.72 -1.24 -0.25 0.00 0.04 0.00 0.00 61.00 60.27 3phy s PRO 102 Cb -0.36 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 28.84 3phy s PRO 102 CO 0.51 -3.26 1.92 0.99 0.04 0.00 0.00 177.00 177.20 3phy s THR 103 N 8.50 3.41 0.24 1.26 2.01 -0.32 -4.84 115.64 125.90 3phy s THR 103 Ca 0.63 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 3phy s THR 103 Cb -0.00 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 3phy s THR 103 CO 0.07 -0.92 1.20 -0.75 -0.69 0.00 0.00 174.62 173.53 3phy s LYS 104 N 7.04 4.50 -0.03 4.92 2.20 -1.26 -1.80 119.74 135.32 3phy s LYS 104 Ca 0.69 1.93 -0.09 0.00 -0.36 0.00 0.00 55.97 58.14 3phy s LYS 104 Cb -0.09 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 3phy s LYS 104 CO 0.07 -0.04 0.21 0.14 -0.36 0.00 0.00 175.35 175.37 3phy s VAL 105 N -0.52 0.05 0.48 4.02 -7.23 -0.91 -2.13 120.40 114.17 3phy s VAL 105 Ca 0.50 -0.43 -0.20 0.00 -1.81 0.00 0.00 61.98 60.04 3phy s VAL 105 Cb -0.34 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 3phy s VAL 105 CO 0.41 -0.24 1.01 -0.54 -0.31 0.00 0.00 175.10 175.43 3phy s LYS 106 N -0.93 3.90 0.03 4.82 3.01 0.19 -2.65 119.74 128.11 3phy s LYS 106 Ca -0.10 1.24 0.01 0.00 -1.01 0.00 0.00 55.97 56.11 3phy s LYS 106 Cb -0.05 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.63 3phy s LYS 106 CO 0.02 -0.33 -0.05 0.14 0.51 0.00 0.00 175.35 175.64 3phy s VAL 107 N -2.13 0.34 -0.29 3.17 -7.23 -1.03 -0.88 120.40 112.34 3phy s VAL 107 Ca 0.65 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 3phy s VAL 107 Cb -0.14 -0.44 0.20 0.00 0.56 0.00 0.00 36.38 36.57 3phy s VAL 107 CO 0.20 -0.40 0.60 -2.28 -0.31 0.00 0.00 175.10 172.91 3phy s HIS 108 N -1.32 -1.80 -0.07 2.82 5.04 -1.02 -3.01 115.29 115.93 3phy s HIS 108 Ca -0.12 1.20 -0.00 0.00 -1.54 0.00 0.00 55.06 54.60 3phy s HIS 108 Cb -0.09 0.36 -0.03 0.00 0.04 0.00 0.00 32.58 32.86 3phy s HIS 108 CO -0.00 -1.04 -0.04 -1.64 -2.34 0.00 0.00 174.74 169.68 3phy s MET 109 N 2.84 2.83 0.00 2.88 1.00 -0.89 -1.66 119.30 126.29 3phy s MET 109 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 55.69 55.31 3phy s MET 109 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 34.83 32.06 3phy s MET 109 CO -0.25 0.67 0.00 1.17 0.00 0.00 0.00 175.02 176.61 3phy n LYS 110 N 2.12 0.84 -3.63 2.03 4.81 0.19 -2.34 118.16 122.17 3phy n LYS 110 Ca -0.18 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.87 3phy n LYS 110 Cb 0.53 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 3phy n LYS 110 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3phy s LYS 111 N 0.26 2.47 0.52 1.64 2.20 -0.58 -1.55 119.74 124.70 3phy s LYS 111 Ca 0.00 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 53.83 3phy s LYS 111 Cb 0.00 -3.75 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 3phy s LYS 111 CO 0.00 -1.01 0.76 0.00 -0.36 0.00 0.00 175.35 174.74 3phy n ALA 112 N 4.85 -0.54 0.98 3.13 0.00 -1.12 -4.79 120.51 123.01 3phy n ALA 112 Ca -0.08 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3phy n ALA 112 Cb 0.42 -1.95 0.60 0.00 0.00 0.00 0.00 19.45 18.52 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 0.30 0.06 0.09 0.00 7.94 -1.26 -3.33 117.00 120.80 3phy n LEU 113 Ca 0.12 0.49 0.20 0.00 -1.11 0.00 0.00 56.01 55.71 3phy n LEU 113 Cb 0.44 -0.48 0.69 0.00 0.53 0.00 0.00 43.42 44.60 3phy n LEU 113 CO 0.52 -0.01 1.18 0.28 -1.11 0.00 0.00 177.39 178.26 3phy h SER 114 N 0.00 0.00 0.00 1.96 0.02 -1.93 -3.43 113.55 110.17 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 114 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3phy h SER 114 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3phy n GLY 115 N -1.48 2.21 3.99 -3.77 0.00 -1.24 -4.90 105.19 100.00 3phy n GLY 115 Ca 0.08 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3phy n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3phy n ASP 116 N 0.00 -2.06 -3.83 1.61 5.68 -1.26 -4.91 116.55 111.78 3phy n ASP 116 Ca 0.00 -0.79 -0.19 0.00 -0.50 0.00 0.00 54.79 53.31 3phy n ASP 116 Cb 0.00 -1.78 0.11 0.00 -1.14 0.00 0.00 41.12 38.31 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3phy n SER 117 N -2.28 0.79 -3.54 -1.12 7.64 -1.21 -4.59 113.62 109.31 3phy n SER 117 Ca 0.08 -1.75 -0.08 0.00 1.01 0.00 0.00 58.87 58.13 3phy n SER 117 Cb 0.47 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.56 -0.82 0.18 1.43 2.02 -0.93 -2.81 117.35 113.85 3phy s TYR 118 Ca 0.53 1.29 0.11 0.00 -0.37 0.00 0.00 57.07 58.63 3phy s TYR 118 Cb -0.03 0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.70 3phy s TYR 118 CO 0.36 -0.57 -0.21 1.67 -1.57 0.00 0.00 175.55 175.23 3phy s TRP 119 N 2.59 2.38 -0.20 2.71 1.48 -0.60 0.29 118.94 127.60 3phy s TRP 119 Ca 0.04 -0.33 -0.00 0.00 -1.06 0.00 0.00 56.10 54.75 3phy s TRP 119 Cb -0.13 -1.19 0.05 0.00 -1.16 0.00 0.00 33.47 31.04 3phy s TRP 119 CO -0.14 0.49 -0.05 0.08 -4.06 0.00 0.00 176.95 173.26 3phy s VAL 120 N -1.61 1.30 -0.51 -0.66 1.01 -0.47 -0.64 120.40 118.82 3phy s VAL 120 Ca 0.21 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 3phy s VAL 120 Cb -0.08 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.84 3phy s VAL 120 CO 0.11 0.01 0.56 -0.36 0.00 0.00 0.00 175.10 175.42 3phy s PHE 121 N 1.52 3.11 -0.35 5.22 0.08 -0.66 -2.71 117.98 124.20 3phy s PHE 121 Ca -0.02 -0.78 -0.19 0.00 0.12 0.00 0.00 56.93 56.06 3phy s PHE 121 Cb -0.17 -3.52 -0.00 0.00 -0.57 0.00 0.00 43.02 38.75 3phy s PHE 121 CO -0.07 -1.00 0.56 0.08 -0.10 0.00 0.00 175.22 174.68 3phy s VAL 122 N 2.27 4.97 0.09 -0.44 1.01 -0.61 -2.42 120.40 125.27 3phy s VAL 122 Ca 0.10 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 3phy s VAL 122 Cb -0.22 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 3phy s VAL 122 CO 0.09 -0.23 0.52 -0.75 0.00 0.00 0.00 175.10 174.73 3phy s LYS 123 N 2.50 4.03 -0.27 2.72 2.47 -0.06 -1.45 119.74 129.68 3phy s LYS 123 Ca 0.21 0.54 -0.21 0.00 -1.56 0.00 0.00 55.97 54.95 3phy s LYS 123 Cb -0.15 -3.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.11 3phy s LYS 123 CO 0.14 0.58 0.64 0.50 0.16 0.00 0.00 175.35 177.37 3phy s ARG 124 N -1.52 4.07 0.00 4.03 3.52 -1.20 -0.64 118.95 127.21 3phy s ARG 124 Ca 0.32 0.52 0.30 0.00 -0.13 0.00 0.00 55.73 56.74 3phy s ARG 124 Cb -0.17 -3.67 1.47 0.00 -1.56 0.00 0.00 34.95 31.03 3phy s ARG 124 CO 0.18 -0.46 1.98 0.28 -0.81 0.00 0.00 175.30 176.47