#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 2.77 1.27 3.17 0.41 -1.26 -5.10 118.70 119.96 3phy s GLU 2 Ca 0.00 -1.22 -0.16 0.00 -0.41 0.00 0.00 54.97 53.17 3phy s GLU 2 Cb 0.00 -2.48 0.32 0.00 -1.78 0.00 0.00 34.13 30.18 3phy s GLU 2 CO 0.00 0.21 0.91 0.72 -0.49 0.00 0.00 175.26 176.62 3phy n HIS 3 N -1.28 -2.08 -2.58 1.61 8.25 -1.26 -4.89 115.22 112.99 3phy n HIS 3 Ca -0.04 -0.35 -0.43 0.00 -0.26 0.00 0.00 57.72 56.64 3phy n HIS 3 Cb 0.59 -1.58 -0.02 0.00 1.12 0.00 0.00 29.99 30.10 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3phy s VAL 4 N -2.30 4.54 0.00 1.59 0.11 -1.26 -4.86 120.40 118.21 3phy s VAL 4 Ca 0.68 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 61.56 3phy s VAL 4 Cb -0.21 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 3phy s VAL 4 CO 0.63 -0.05 0.00 0.00 -3.33 0.00 0.00 175.10 172.35 3phy n ALA 5 N 5.52 0.00 -0.01 1.54 0.00 -1.26 -0.81 120.51 125.48 3phy n ALA 5 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 3phy n ALA 5 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3phy n ALA 5 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3phy h PHE 6 N 0.00 -1.49 0.00 0.00 0.04 -1.94 -3.39 116.94 110.16 3phy h PHE 6 Ca 0.00 0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 3phy h PHE 6 Cb 0.00 0.67 -0.11 0.00 2.20 0.00 0.00 35.95 38.72 3phy h PHE 6 CO 0.00 -0.53 -0.22 0.41 -0.60 0.00 0.00 178.31 177.37 3phy n GLY 7 N -1.44 0.56 1.82 -1.45 0.00 -1.14 -4.95 105.19 98.59 3phy n GLY 7 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.31 -2.87 -3.06 1.61 3.41 0.01 -4.95 113.62 107.46 3phy n SER 8 Ca -0.20 -0.41 -0.24 0.00 -0.26 0.00 0.00 58.87 57.76 3phy n SER 8 Cb 0.65 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.04 2.41 -3.07 4.33 1.02 -1.26 -4.68 120.64 116.35 3phy n GLU 9 Ca 0.06 -4.34 -0.00 0.00 -0.02 0.00 0.00 57.16 52.86 3phy n GLU 9 Cb 0.28 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 0.05 -7.78 0.06 1.62 9.92 -1.26 -4.80 116.55 114.36 3phy n ASP 10 Ca 0.29 -0.07 -0.03 0.00 -0.53 0.00 0.00 54.79 54.45 3phy n ASP 10 Cb 0.48 -5.28 -0.01 0.00 -0.64 0.00 0.00 41.12 35.66 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 0.47 0.00 -1.33 0.53 1.08 -1.95 -1.84 117.51 114.47 3phy h ILE 11 Ca -0.01 -0.31 0.46 0.00 -0.39 0.00 0.00 64.86 64.61 3phy h ILE 11 Cb 1.00 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.62 3phy h ILE 11 CO 0.30 0.00 0.85 -1.84 -0.69 0.00 0.00 178.15 176.77 3phy n GLU 12 N -3.35 -0.03 0.09 2.37 0.28 -1.26 0.12 120.64 118.86 3phy n GLU 12 Ca -0.02 1.19 -0.23 0.00 -0.16 0.00 0.00 57.16 57.94 3phy n GLU 12 Cb 0.07 -2.35 -0.15 0.00 1.43 0.00 0.00 31.44 30.44 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3phy h ASN 13 N 0.00 0.64 0.43 -1.84 4.21 -1.94 -3.19 115.58 113.89 3phy h ASN 13 Ca 0.84 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3phy h ASN 13 Cb 2.72 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 39.72 3phy h ASN 13 CO -0.43 1.61 0.00 0.41 -1.29 0.00 0.00 177.43 177.73 3phy n THR 14 N -3.86 0.57 1.11 2.81 -1.04 0.34 -2.00 114.28 112.20 3phy n THR 14 Ca -0.18 0.14 0.13 0.00 -2.04 0.00 0.00 64.05 62.10 3phy n THR 14 Cb 0.99 -0.84 0.24 0.00 -1.82 0.00 0.00 70.33 68.89 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 -1.36 2.56 -0.01 -4.42 4.77 0.26 -3.29 117.00 115.51 3phy n LEU 15 Ca 0.07 -0.88 0.01 0.00 -0.03 0.00 0.00 56.01 55.18 3phy n LEU 15 Cb 0.17 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 3phy n LEU 15 CO 0.15 0.44 -0.60 0.00 -1.33 0.00 0.00 177.39 176.04 3phy n ALA 16 N 0.99 2.08 -2.49 -1.18 0.00 -0.85 -4.42 120.51 114.64 3phy n ALA 16 Ca 0.16 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 3phy n ALA 16 Cb 0.52 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.69 2.30 -4.38 0.00 5.02 -1.25 -5.06 118.16 112.10 3phy n LYS 17 Ca -0.13 -3.66 -0.21 0.00 -2.02 0.00 0.00 58.31 52.29 3phy n LYS 17 Cb 0.84 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3phy s MET 18 N -3.52 0.99 0.15 1.97 1.75 -1.21 -5.03 119.30 114.41 3phy s MET 18 Ca 0.36 -0.81 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 3phy s MET 18 Cb 0.36 -1.03 0.00 0.00 2.84 0.00 0.00 34.83 37.00 3phy s MET 18 CO -0.02 0.25 0.00 -3.47 -0.65 0.00 0.00 175.02 171.13 3phy n ASP 19 N 1.83 0.54 -3.09 1.11 2.03 -1.26 -4.94 116.55 112.77 3phy n ASP 19 Ca -0.18 0.24 0.03 0.00 0.52 0.00 0.00 54.79 55.41 3phy n ASP 19 Cb 0.54 -0.04 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 3phy n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3phy s ASP 20 N -5.49 -1.03 0.00 1.67 2.15 -1.26 -4.75 116.67 107.96 3phy s ASP 20 Ca 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.85 3phy s ASP 20 Cb 0.00 1.51 0.00 0.00 -0.30 0.00 0.00 42.92 44.13 3phy s ASP 20 CO 0.00 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 3phy n GLY 21 N 4.80 1.23 0.11 2.66 0.00 -1.26 -4.99 105.19 107.73 3phy n GLY 21 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3phy n GLY 21 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3phy h GLN 22 N 0.00 0.21 -0.98 1.61 4.15 -1.96 -3.39 115.11 114.75 3phy h GLN 22 Ca 0.00 -0.36 -0.45 0.00 0.77 0.00 0.00 58.65 58.61 3phy h GLN 22 Cb 0.00 0.13 -0.41 0.00 0.21 0.00 0.00 27.48 27.41 3phy h GLN 22 CO 0.00 1.17 -0.94 -0.11 -1.93 0.00 0.00 178.83 177.02 3phy n LEU 23 N -4.20 3.36 -0.53 -2.39 7.94 -1.26 -4.77 117.00 115.15 3phy n LEU 23 Ca -0.17 -4.30 0.13 0.00 -1.11 0.00 0.00 56.01 50.57 3phy n LEU 23 Cb 0.76 -0.03 0.35 0.00 0.53 0.00 0.00 43.42 45.03 3phy n LEU 23 CO 0.42 1.80 0.71 0.47 -1.11 0.00 0.00 177.39 179.69 3phy n ASP 24 N -0.46 1.76 -1.68 1.96 9.92 -1.26 -3.95 116.55 122.83 3phy n ASP 24 Ca 0.27 -1.47 0.09 0.00 -0.53 0.00 0.00 54.79 53.15 3phy n ASP 24 Cb 0.81 0.08 0.37 0.00 -0.64 0.00 0.00 41.12 41.74 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 25 N 1.27 2.84 3.65 0.44 0.00 -1.26 -4.01 105.19 108.12 3phy n GLY 25 Ca 0.15 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.12 1.61 -0.26 0.99 1.43 -1.25 -4.90 118.68 114.16 3phy s LEU 26 Ca 0.53 1.34 0.10 0.00 -1.03 0.00 0.00 54.13 55.06 3phy s LEU 26 Cb 0.36 -3.52 0.68 0.00 0.03 0.00 0.00 46.19 43.74 3phy s LEU 26 CO 0.22 -3.25 1.66 0.00 0.23 0.00 0.00 176.35 175.21 3phy n ALA 27 N -4.27 4.17 -3.10 4.21 0.00 -1.26 -4.88 120.51 115.38 3phy n ALA 27 Ca 0.05 -1.93 -0.01 0.00 0.00 0.00 0.00 53.44 51.55 3phy n ALA 27 Cb 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3phy n ALA 27 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3phy n PHE 28 N 0.10 -0.97 -4.38 0.00 -1.74 -1.26 -3.24 117.46 105.97 3phy n PHE 28 Ca 0.33 -0.23 -0.27 0.00 -0.56 0.00 0.00 57.45 56.72 3phy n PHE 28 Cb 1.22 0.09 -0.11 0.00 1.52 0.00 0.00 39.48 42.20 3phy n PHE 28 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3phy s GLY 29 N -1.24 1.73 -0.27 4.97 0.00 -1.02 -4.03 107.32 107.46 3phy s GLY 29 Ca 0.02 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.16 3phy s GLY 29 CO 0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 173.10 171.44 3phy s ALA 30 N -1.75 2.35 -0.01 3.20 0.00 -1.17 -2.45 121.76 121.93 3phy s ALA 30 Ca 0.23 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.47 3phy s ALA 30 Cb -0.08 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3phy s ALA 30 CO 0.12 -1.33 -0.16 0.96 0.00 0.00 0.00 175.76 175.35 3phy s ILE 31 N 1.20 2.95 0.35 0.00 -5.25 -1.18 -3.64 121.20 115.64 3phy s ILE 31 Ca -0.02 -0.92 0.08 0.00 -0.99 0.00 0.00 60.65 58.80 3phy s ILE 31 Cb -0.19 -2.19 -0.04 0.00 2.95 0.00 0.00 42.46 42.98 3phy s ILE 31 CO -0.07 0.48 0.14 -1.10 -1.79 0.00 0.00 174.94 172.60 3phy s GLN 32 N -1.04 2.33 0.04 0.37 1.11 -0.92 -1.70 119.66 119.86 3phy s GLN 32 Ca 0.13 -1.61 -0.17 0.00 0.01 0.00 0.00 55.36 53.72 3phy s GLN 32 Cb -0.11 -2.13 0.03 0.00 -1.01 0.00 0.00 33.01 29.79 3phy s GLN 32 CO 0.03 0.07 0.38 -0.51 0.01 0.00 0.00 175.29 175.27 3phy s LEU 33 N -3.85 0.53 -0.09 2.90 1.43 0.24 -1.90 118.68 117.94 3phy s LEU 33 Ca 0.38 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3phy s LEU 33 Cb -0.01 1.63 0.02 0.00 0.03 0.00 0.00 46.19 47.86 3phy s LEU 33 CO 0.23 -0.65 -0.10 -1.81 0.23 0.00 0.00 176.35 174.25 3phy s ASP 34 N -2.00 1.94 0.00 2.29 1.01 -0.65 -3.05 116.67 116.20 3phy s ASP 34 Ca -0.05 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.91 3phy s ASP 34 Cb -0.01 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.09 3phy s ASP 34 CO -0.02 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.93 3phy n GLY 35 N 4.29 0.00 0.00 0.21 0.00 -1.26 -1.18 105.19 107.26 3phy n GLY 35 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.81 116.55 120.09 3phy n ASP 36 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3phy n ASP 36 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.29 0.68 3.74 0.44 0.00 -0.32 -4.85 105.19 105.16 3phy n GLY 37 Ca 0.14 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.46 7.04 0.32 1.61 0.01 -1.17 -2.80 114.94 117.49 3phy s ASN 38 Ca 0.00 2.27 -0.29 0.00 -0.71 0.00 0.00 52.86 54.13 3phy s ASN 38 Cb 0.00 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.95 3phy s ASN 38 CO 0.00 -0.40 1.39 -0.51 -1.51 0.00 0.00 177.10 176.07 3phy s ILE 39 N -0.04 2.53 -0.09 0.60 1.10 -1.16 -1.64 121.20 122.50 3phy s ILE 39 Ca 0.53 0.50 0.10 0.00 -0.51 0.00 0.00 60.65 61.28 3phy s ILE 39 Cb -0.33 -3.32 -0.15 0.00 0.15 0.00 0.00 42.46 38.81 3phy s ILE 39 CO 0.37 0.11 0.07 0.18 -2.11 0.00 0.00 174.94 173.56 3phy n LEU 40 N 1.20 0.00 -3.47 8.50 4.77 -0.80 -4.07 117.00 123.13 3phy n LEU 40 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3phy n LEU 40 Cb 0.41 0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3phy n LEU 40 CO 0.61 0.23 0.53 -1.58 -1.33 0.00 0.00 177.39 175.85 3phy s GLN 41 N -2.36 1.08 0.00 3.23 -0.44 -1.26 -4.90 119.66 115.01 3phy s GLN 41 Ca -0.05 -0.40 0.00 0.00 -2.50 0.00 0.00 55.36 52.40 3phy s GLN 41 Cb 0.04 0.49 0.00 0.00 -1.64 0.00 0.00 33.01 31.90 3phy s GLN 41 CO 0.46 -0.47 0.00 0.98 0.50 0.00 0.00 175.29 176.76 3phy n TYR 42 N -0.32 -0.21 0.00 1.67 9.36 -1.24 -2.16 117.16 124.26 3phy n TYR 42 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 3phy n TYR 42 Cb 0.63 0.40 0.00 0.00 -0.63 0.00 0.00 39.34 39.75 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 -2.21 0.00 -0.12 2.98 6.94 -1.26 -3.06 115.26 118.54 3phy n ASN 43 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.33 3phy n ASN 43 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3phy n ALA 44 N -0.32 0.99 -0.25 -2.53 0.00 -1.26 -4.32 120.51 112.83 3phy n ALA 44 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 53.44 52.51 3phy n ALA 44 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 3phy n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3phy n ALA 45 N -4.05 -0.38 0.01 0.00 0.00 -1.26 -0.20 120.51 114.64 3phy n ALA 45 Ca -0.39 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 3phy n ALA 45 Cb 0.73 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 3phy n ALA 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3phy h GLU 46 N 0.00 0.08 0.00 0.00 4.11 -1.84 -0.93 114.58 116.00 3phy h GLU 46 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3phy h GLU 46 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3phy h GLU 46 CO -0.55 0.06 0.00 0.41 0.07 0.00 0.00 179.01 179.00 3phy n GLY 47 N -1.09 -0.88 0.12 1.06 0.00 0.04 -1.73 105.19 102.72 3phy n GLY 47 Ca -0.06 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3phy n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3phy h ASP 48 N 0.00 0.49 0.06 1.61 3.58 0.85 0.24 116.42 123.25 3phy h ASP 48 Ca 0.00 -0.57 -0.16 0.00 0.42 0.00 0.00 57.03 56.71 3phy h ASP 48 Cb 0.08 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3phy h ASP 48 CO 0.00 1.46 -0.84 0.40 -2.88 0.00 0.00 179.24 177.38 3phy h ILE 49 N 0.09 1.32 0.00 2.25 5.03 -1.21 -3.37 117.51 121.61 3phy h ILE 49 Ca -0.20 -2.35 -0.14 0.00 -0.12 0.00 0.00 64.86 62.05 3phy h ILE 49 Cb 2.02 2.88 -0.02 0.00 -3.03 0.00 0.00 36.82 38.67 3phy h ILE 49 CO 0.20 0.58 -1.28 0.71 -0.68 0.00 0.00 178.15 177.68 3phy h THR 50 N -0.70 0.45 0.00 -0.27 1.35 -1.50 -3.48 112.91 108.76 3phy h THR 50 Ca -0.19 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3phy h THR 50 Cb 1.39 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3phy h THR 50 CO -0.01 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 3phy n GLY 51 N 1.35 0.57 3.53 5.82 0.00 0.83 -5.00 105.19 112.29 3phy n GLY 51 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 1.19 -2.02 1.61 1.74 -1.19 -4.88 116.66 111.11 3phy n ARG 52 Ca 0.00 0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 56.96 3phy n ARG 52 Cb 0.00 -2.95 0.02 0.00 -1.02 0.00 0.00 32.46 28.50 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 9.68 5.66 -0.11 0.55 1.01 -1.26 -3.89 116.67 128.31 3phy s ASP 53 Ca 1.06 1.89 -0.20 0.00 0.71 0.00 0.00 52.55 56.01 3phy s ASP 53 Cb -0.50 -2.54 -0.17 0.00 1.01 0.00 0.00 42.92 40.72 3phy s ASP 53 CO 0.36 -1.25 0.61 1.55 0.21 0.00 0.00 175.17 176.66 3phy h PRO 54 N 0.46 -0.05 0.00 8.23 0.13 -1.91 -1.80 132.00 137.06 3phy h PRO 54 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3phy h PRO 54 Cb 1.23 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3phy h PRO 54 CO 0.57 0.55 -0.02 1.57 -0.23 0.00 0.00 178.00 180.44 3phy h LYS 55 N -0.95 0.00 0.16 0.86 2.10 -1.96 -2.54 116.57 114.24 3phy h LYS 55 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.33 3phy h LYS 55 Cb 0.62 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.95 3phy h LYS 55 CO 0.01 0.02 -1.57 0.37 -2.00 0.00 0.00 179.45 176.28 3phy h GLN 56 N 0.00 0.33 0.00 0.07 4.15 -1.96 -3.28 115.11 114.42 3phy h GLN 56 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.85 3phy h GLN 56 Cb 0.50 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3phy h GLN 56 CO 0.00 1.27 0.00 1.33 -1.93 0.00 0.00 178.83 179.51 3phy n VAL 57 N -3.75 0.08 -2.18 2.39 0.24 -0.68 -4.57 118.33 109.86 3phy n VAL 57 Ca -0.24 0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 3phy n VAL 57 Cb 0.99 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.23 3.76 0.00 1.34 1.01 -0.96 -1.62 121.20 122.49 3phy s ILE 58 Ca 0.33 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3phy s ILE 58 Cb 0.18 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3phy s ILE 58 CO 0.34 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3phy n GLY 59 N 3.81 2.25 3.74 6.18 0.00 -1.26 -4.98 105.19 114.93 3phy n GLY 59 Ca 0.15 0.00 -0.40 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 -0.45 4.78 -0.83 1.61 -0.14 -0.64 -4.76 119.74 119.30 3phy s LYS 60 Ca 0.00 1.46 -0.25 0.00 -1.36 0.00 0.00 55.97 55.82 3phy s LYS 60 Cb 0.00 -3.32 0.02 0.00 -1.68 0.00 0.00 37.83 32.85 3phy s LYS 60 CO 0.00 0.38 1.45 -0.80 -0.76 0.00 0.00 175.35 175.63 3phy s ASN 61 N -0.64 6.09 0.60 2.83 0.02 -1.26 -2.98 114.94 119.60 3phy s ASN 61 Ca 0.44 -0.71 0.30 0.00 -1.02 0.00 0.00 52.86 51.87 3phy s ASN 61 Cb -0.25 -2.56 1.67 0.00 0.02 0.00 0.00 41.25 40.14 3phy s ASN 61 CO 0.31 -1.86 2.06 0.15 0.02 0.00 0.00 177.10 177.78 3phy h PHE 62 N 10.61 0.00 0.05 2.20 3.57 -1.87 1.27 116.94 132.77 3phy h PHE 62 Ca -0.09 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.16 3phy h PHE 62 Cb 1.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3phy h PHE 62 CO 1.18 0.00 -1.24 0.74 -2.23 0.00 0.00 178.31 176.75 3phy h PHE 63 N 0.00 0.19 -0.62 0.41 0.04 -1.82 -2.88 116.94 112.26 3phy h PHE 63 Ca 0.09 -0.14 -0.30 0.00 2.80 0.00 0.00 57.97 60.42 3phy h PHE 63 Cb 0.60 -0.01 -0.32 0.00 2.20 0.00 0.00 35.95 38.42 3phy h PHE 63 CO 0.00 1.13 -0.91 0.36 -0.60 0.00 0.00 178.31 178.29 3phy n LYS 64 N -3.37 1.22 0.00 1.51 2.85 -0.36 -3.47 118.16 116.55 3phy n LYS 64 Ca -0.07 -2.78 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 3phy n LYS 64 Cb 0.99 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3phy n ASP 65 N -0.33 0.00 -0.08 -5.58 -0.08 0.42 -4.78 116.55 106.12 3phy n ASP 65 Ca 0.04 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.19 3phy n ASP 65 Cb 0.83 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.24 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3phy n VAL 66 N -0.99 1.41 -3.46 5.18 0.31 -0.53 -4.83 118.33 115.42 3phy n VAL 66 Ca 0.00 0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3phy n VAL 66 Cb 0.00 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 30.76 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 -2.66 3.48 -2.00 3.52 0.00 -1.09 -4.91 121.76 118.11 3phy s ALA 67 Ca -0.27 -2.42 0.18 0.00 0.00 0.00 0.00 51.96 49.44 3phy s ALA 67 Cb 0.06 -2.98 1.06 0.00 0.00 0.00 0.00 23.12 21.26 3phy s ALA 67 CO 0.38 -1.88 1.55 -0.35 0.00 0.00 0.00 175.76 175.46 3phy n PRO 68 N 5.06 0.81 -0.02 0.00 -0.04 -1.26 -2.88 135.00 136.67 3phy n PRO 68 Ca -0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 3phy n PRO 68 Cb 0.41 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.08 0.02 -2.19 0.00 -2.24 -1.14 -4.10 114.28 102.56 3phy n THR 70 Ca -0.06 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 3phy n THR 70 Cb 0.47 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.65 7.49 -3.72 3.42 2.03 -1.23 -1.43 116.55 122.46 3phy n ASP 71 Ca 0.18 -3.49 -0.17 0.00 0.52 0.00 0.00 54.79 51.83 3phy n ASP 71 Cb 0.13 -1.22 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 3phy n ASP 71 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3phy s SER 72 N -0.58 1.14 -1.27 1.67 0.15 -1.26 -4.92 113.70 108.63 3phy s SER 72 Ca 0.48 -1.61 -0.19 0.00 0.70 0.00 0.00 55.95 55.34 3phy s SER 72 Cb 0.25 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 3phy s SER 72 CO -0.18 -0.97 1.89 -0.81 1.20 0.00 0.00 173.24 174.37 3phy n PRO 73 N -0.50 2.67 0.00 5.44 -0.04 -1.26 -1.09 135.00 140.22 3phy n PRO 73 Ca 0.05 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 3phy n PRO 73 Cb 0.64 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 3phy n PRO 73 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3phy n GLU 74 N 7.82 0.00 -0.01 0.54 2.13 -1.26 -4.82 120.64 125.05 3phy n GLU 74 Ca 0.49 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.30 3phy n GLU 74 Cb 0.44 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.15 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3phy n PHE 75 N 0.00 0.00 0.29 4.31 -0.00 -1.15 -4.16 117.46 116.76 3phy n PHE 75 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 3phy n PHE 75 Cb 0.00 -0.05 0.45 0.00 -0.00 0.00 0.00 39.48 39.87 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 -0.11 0.00 0.69 -5.13 3.20 -0.82 -2.98 116.97 111.83 3phy h TYR 76 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3phy h TYR 76 Cb 0.11 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.38 3phy h TYR 76 CO -0.05 0.00 -0.33 0.78 -1.64 0.00 0.00 178.16 176.92 3phy h GLY 77 N 3.02 -0.97 2.00 1.82 0.00 -1.35 0.02 103.07 107.61 3phy h GLY 77 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3phy h GLY 77 CO 0.00 -0.35 0.00 0.50 0.00 0.00 0.00 176.54 176.69 3phy h LYS 78 N -1.03 0.00 0.02 4.80 1.79 -1.72 -0.32 116.57 120.12 3phy h LYS 78 Ca -0.10 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.12 3phy h LYS 78 Cb 0.71 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3phy h LYS 78 CO 0.16 0.00 -1.05 0.35 -1.08 0.00 0.00 179.45 177.83 3phy h PHE 79 N 0.00 0.86 0.00 -1.35 3.04 -1.29 -1.29 116.94 116.91 3phy h PHE 79 Ca 0.00 -0.49 0.00 0.00 3.98 0.00 0.00 57.97 61.46 3phy h PHE 79 Cb 0.10 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.52 3phy h PHE 79 CO 0.00 1.32 0.00 1.63 -2.02 0.00 0.00 178.31 179.24 3phy n LYS 80 N -3.79 0.40 -0.08 1.11 4.76 -0.04 -1.61 118.16 118.91 3phy n LYS 80 Ca -0.10 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.15 3phy n LYS 80 Cb 0.89 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 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 -1.28 0.68 -0.10 1.97 -0.58 -0.80 -3.37 120.64 117.16 3phy n GLU 81 Ca 0.13 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 56.98 3phy n GLU 81 Cb 0.22 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 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 0.94 1.02 0.62 0.00 -1.21 -0.95 103.07 104.56 3phy h GLY 82 Ca -0.51 -1.02 -0.01 0.00 0.00 0.00 0.00 47.33 45.78 3phy h GLY 82 CO -0.07 0.92 0.51 -2.08 0.00 0.00 0.00 176.54 175.81 3phy h VAL 83 N 0.65 1.26 0.00 4.60 2.07 -1.48 0.52 116.25 123.87 3phy h VAL 83 Ca 0.04 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3phy h VAL 83 Cb 1.02 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3phy h VAL 83 CO 0.10 0.28 -0.27 0.00 0.02 0.00 0.00 177.57 177.70 3phy h ALA 84 N 1.28 0.84 0.00 1.67 0.00 -1.54 -3.26 119.26 118.25 3phy h ALA 84 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3phy h ALA 84 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3phy h ALA 84 CO -0.05 0.27 -0.88 0.43 0.00 0.00 0.00 179.25 179.01 3phy n SER 85 N -3.13 0.67 -0.01 0.00 7.64 -0.37 -4.94 113.62 113.49 3phy n SER 85 Ca 0.03 -0.44 -0.00 0.00 1.01 0.00 0.00 58.87 59.47 3phy n SER 85 Cb 0.62 0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 64.53 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 86 N 1.44 0.45 2.87 0.23 0.00 0.11 -4.98 105.19 105.30 3phy n GLY 86 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3phy n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3phy s ASN 87 N -2.46 0.75 -0.31 1.61 -0.87 -0.82 -5.03 114.94 107.82 3phy s ASN 87 Ca 0.00 -0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 50.70 3phy s ASN 87 Cb 0.00 0.93 -0.03 0.00 -0.02 0.00 0.00 41.25 42.13 3phy s ASN 87 CO 0.00 -0.36 0.31 -0.22 -2.57 0.00 0.00 177.10 174.26 3phy s LEU 88 N 2.49 4.25 -0.50 0.60 0.20 -1.26 -4.38 118.68 120.08 3phy s LEU 88 Ca 0.10 -0.07 0.06 0.00 0.69 0.00 0.00 54.13 54.91 3phy s LEU 88 Cb -0.13 -2.29 0.21 0.00 -0.43 0.00 0.00 46.19 43.55 3phy s LEU 88 CO -0.30 -0.22 0.81 -0.46 -0.29 0.00 0.00 176.35 175.89 3phy n ASN 89 N 5.27 -3.16 -4.33 3.68 2.04 -1.24 -1.35 115.26 116.17 3phy n ASN 89 Ca -0.10 -3.03 -0.33 0.00 -0.44 0.00 0.00 54.58 50.68 3phy n ASN 89 Cb 0.50 1.76 -0.15 0.00 -2.53 0.00 0.00 39.78 39.36 3phy n ASN 89 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3phy s THR 90 N 0.79 2.70 -0.14 5.53 -1.32 -0.76 -5.01 115.64 117.43 3phy s THR 90 Ca 0.31 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 60.00 3phy s THR 90 Cb 0.11 -2.09 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 3phy s THR 90 CO -0.14 0.55 -0.20 -0.32 -2.21 0.00 0.00 174.62 172.30 3phy s MET 91 N 0.18 3.11 0.09 7.08 1.75 -1.26 -2.05 119.30 128.20 3phy s MET 91 Ca -0.10 -0.81 -0.02 0.00 -1.25 0.00 0.00 55.69 53.51 3phy s MET 91 Cb -0.16 -2.49 0.01 0.00 2.84 0.00 0.00 34.83 35.03 3phy s MET 91 CO 0.06 0.04 0.15 1.97 -0.65 0.00 0.00 175.02 176.59 3phy n PHE 92 N 3.95 -0.91 -4.06 4.11 -1.74 -1.15 -5.04 117.46 112.62 3phy n PHE 92 Ca -0.19 -0.57 -0.32 0.00 -0.56 0.00 0.00 57.45 55.81 3phy n PHE 92 Cb 0.52 0.17 -0.16 0.00 1.52 0.00 0.00 39.48 41.53 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 -2.15 2.53 0.25 3.97 -1.05 -1.26 -2.20 118.70 118.79 3phy s GLU 93 Ca 0.06 -0.85 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 3phy s GLU 93 Cb -0.01 -2.48 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 3phy s GLU 93 CO 0.05 -0.31 -0.07 -0.47 0.95 0.00 0.00 175.26 175.40 3phy s TYR 94 N 1.33 1.82 -0.10 4.83 5.04 -1.15 -5.00 117.35 124.12 3phy s TYR 94 Ca 0.02 -0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 53.94 3phy s TYR 94 Cb -0.15 -1.00 0.03 0.00 0.35 0.00 0.00 41.96 41.19 3phy s TYR 94 CO -0.10 0.25 -0.05 0.99 -1.34 0.00 0.00 175.55 175.30 3phy s THR 95 N -3.07 0.78 -0.19 4.34 2.01 -1.26 -1.51 115.64 116.74 3phy s THR 95 Ca 0.27 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 3phy s THR 95 Cb 0.03 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3phy s THR 95 CO 0.10 0.33 0.50 -0.36 -0.69 0.00 0.00 174.62 174.50 3phy s PHE 96 N 1.81 3.39 -0.32 4.92 0.08 -0.37 -4.88 117.98 122.60 3phy s PHE 96 Ca 0.05 0.77 0.18 0.00 0.12 0.00 0.00 56.93 58.04 3phy s PHE 96 Cb -0.12 -2.64 0.46 0.00 -0.57 0.00 0.00 43.02 40.14 3phy s PHE 96 CO -0.07 -0.06 1.09 -0.40 -0.10 0.00 0.00 175.22 175.68 3phy n ASP 97 N 4.62 0.76 -4.76 1.36 5.68 -1.26 -1.27 116.55 121.68 3phy n ASP 97 Ca -0.05 -2.46 -0.39 0.00 -0.50 0.00 0.00 54.79 51.38 3phy n ASP 97 Cb 0.51 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.23 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3phy s TYR 98 N -2.57 3.74 0.00 2.11 -0.85 -1.26 -4.39 117.35 114.13 3phy s TYR 98 Ca 0.25 1.80 0.00 0.00 -0.52 0.00 0.00 57.07 58.60 3phy s TYR 98 Cb 0.42 -3.06 0.00 0.00 0.38 0.00 0.00 41.96 39.69 3phy s TYR 98 CO -0.01 0.02 0.00 0.00 -1.52 0.00 0.00 175.55 174.04 3phy n GLN 99 N 1.04 -0.10 0.00 -3.49 10.64 -1.26 -4.62 117.38 119.59 3phy n GLN 99 Ca -0.00 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 3phy n GLN 99 Cb 0.47 0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.95 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 3phy n MET 100 N -0.13 -1.66 -1.54 2.61 1.56 -1.26 -5.14 117.12 111.55 3phy n MET 100 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 57.07 3phy n MET 100 Cb 0.00 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.45 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 -0.01 3.83 -2.49 1.12 5.66 -1.26 -4.87 114.28 116.25 3phy n THR 101 Ca 0.00 -0.44 -0.37 0.00 -3.05 0.00 0.00 64.05 60.19 3phy n THR 101 Cb 0.00 -1.28 -0.04 0.00 -1.55 0.00 0.00 70.33 67.47 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 -3.30 4.18 -0.17 1.09 0.04 -1.26 -4.66 135.00 130.92 3phy s PRO 102 Ca 0.78 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 3phy s PRO 102 Cb -0.37 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.61 3phy s PRO 102 CO 0.45 -0.14 0.15 0.99 0.04 0.00 0.00 177.00 178.49 3phy s THR 103 N -1.56 -0.20 0.42 1.26 2.01 -0.40 -5.00 115.64 112.17 3phy s THR 103 Ca 0.56 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 3phy s THR 103 Cb -0.25 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 3phy s THR 103 CO 0.31 -0.18 0.88 -0.75 -0.69 0.00 0.00 174.62 174.19 3phy s LYS 104 N 2.23 4.05 -0.12 4.92 2.20 -1.26 -1.24 119.74 130.51 3phy s LYS 104 Ca 0.04 0.88 -0.19 0.00 -0.36 0.00 0.00 55.97 56.34 3phy s LYS 104 Cb -0.15 -2.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.95 3phy s LYS 104 CO -0.09 -0.04 0.49 0.14 -0.36 0.00 0.00 175.35 175.48 3phy s VAL 105 N -2.26 0.01 -0.15 4.02 -7.23 -0.57 -2.52 120.40 111.70 3phy s VAL 105 Ca 0.58 -0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 60.35 3phy s VAL 105 Cb -0.10 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 3phy s VAL 105 CO 0.21 -0.06 0.99 -0.54 -0.31 0.00 0.00 175.10 175.38 3phy s LYS 106 N -0.36 4.36 0.16 4.82 3.01 -0.28 -2.92 119.74 128.53 3phy s LYS 106 Ca -0.05 1.32 0.10 0.00 -1.01 0.00 0.00 55.97 56.33 3phy s LYS 106 Cb -0.03 -3.58 -0.04 0.00 -1.01 0.00 0.00 37.83 33.17 3phy s LYS 106 CO 0.03 -0.41 -0.21 0.14 0.51 0.00 0.00 175.35 175.41 3phy s VAL 107 N 2.37 2.56 -0.24 3.17 -7.23 -0.94 -0.42 120.40 119.67 3phy s VAL 107 Ca 0.45 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 3phy s VAL 107 Cb -0.17 -2.20 0.10 0.00 0.56 0.00 0.00 36.38 34.67 3phy s VAL 107 CO 0.14 -0.02 0.19 -2.28 -0.31 0.00 0.00 175.10 172.81 3phy s HIS 108 N -1.42 -0.05 -0.27 2.82 2.46 -0.87 -2.93 115.29 115.03 3phy s HIS 108 Ca 0.19 -0.31 -0.11 0.00 0.47 0.00 0.00 55.06 55.30 3phy s HIS 108 Cb -0.09 -0.61 -0.05 0.00 -0.13 0.00 0.00 32.58 31.70 3phy s HIS 108 CO 0.10 -0.73 0.19 -1.64 -2.47 0.00 0.00 174.74 170.19 3phy s MET 109 N 2.23 3.98 0.00 2.88 -1.94 -0.87 -1.78 119.30 123.80 3phy s MET 109 Ca 0.07 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 3phy s MET 109 Cb -0.15 -3.63 0.00 0.00 2.01 0.00 0.00 34.83 33.05 3phy s MET 109 CO -0.24 -0.13 0.00 1.17 -0.01 0.00 0.00 175.02 175.81 3phy n LYS 110 N 4.89 2.02 -3.77 2.03 4.81 0.12 -1.82 118.16 126.44 3phy n LYS 110 Ca -0.14 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.94 3phy n LYS 110 Cb 0.52 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.46 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 -0.74 2.08 0.25 1.64 2.20 -0.46 -1.71 119.74 123.00 3phy s LYS 111 Ca 0.00 -1.93 -0.31 0.00 -0.36 0.00 0.00 55.97 53.37 3phy s LYS 111 Cb 0.00 -3.60 -0.13 0.00 -1.51 0.00 0.00 37.83 32.58 3phy s LYS 111 CO 0.00 -1.09 1.39 0.00 -0.36 0.00 0.00 175.35 175.29 3phy n ALA 112 N 4.43 1.05 0.01 3.13 0.00 0.19 -4.88 120.51 124.44 3phy n ALA 112 Ca -0.01 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.85 3phy n ALA 112 Cb 0.41 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 2.04 0.01 -0.13 0.00 -0.00 -1.26 -3.08 117.00 114.58 3phy n LEU 113 Ca 0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 56.01 56.05 3phy n LEU 113 Cb 0.32 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.77 3phy n LEU 113 CO 0.62 0.00 0.84 0.28 -0.00 0.00 0.00 177.39 179.13 3phy h SER 114 N 0.00 -0.22 0.00 1.45 0.02 -1.90 -3.42 113.55 109.49 3phy h SER 114 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3phy h SER 114 Cb 0.11 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3phy h SER 114 CO 0.00 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 3phy n GLY 115 N -1.29 0.00 0.00 -3.77 0.00 -1.26 -5.08 105.19 93.79 3phy n GLY 115 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.13 116.55 119.76 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 -4.09 -2.24 7.64 -1.18 -4.86 113.62 108.89 3phy n SER 117 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 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 1.89 0.22 1.43 2.02 -1.17 0.57 117.35 122.30 3phy s TYR 118 Ca 0.00 -0.76 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 3phy s TYR 118 Cb 0.00 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 3phy s TYR 118 CO 0.00 -0.35 -0.06 1.67 -1.57 0.00 0.00 175.55 175.23 3phy s TRP 119 N 0.60 1.61 -0.16 2.71 1.48 -0.69 -0.59 118.94 123.90 3phy s TRP 119 Ca -0.15 -0.77 -0.04 0.00 -1.06 0.00 0.00 56.10 54.08 3phy s TRP 119 Cb -0.16 -0.87 0.07 0.00 -1.16 0.00 0.00 33.47 31.35 3phy s TRP 119 CO 0.05 0.13 0.19 0.08 -4.06 0.00 0.00 176.95 173.34 3phy s VAL 120 N -3.22 -0.29 -0.03 -0.66 1.01 -0.69 -0.70 120.40 115.82 3phy s VAL 120 Ca 0.25 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 3phy s VAL 120 Cb 0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3phy s VAL 120 CO 0.07 -0.08 0.32 -0.36 0.00 0.00 0.00 175.10 175.05 3phy s PHE 121 N 2.30 3.67 -0.28 5.22 0.08 -0.73 -3.11 117.98 125.13 3phy s PHE 121 Ca 0.05 0.81 0.01 0.00 0.12 0.00 0.00 56.93 57.91 3phy s PHE 121 Cb -0.14 -2.15 0.06 0.00 -0.57 0.00 0.00 43.02 40.21 3phy s PHE 121 CO -0.10 0.66 -0.05 0.08 -0.10 0.00 0.00 175.22 175.72 3phy s VAL 122 N -1.11 2.58 0.28 -0.44 1.01 -1.03 -2.04 120.40 119.64 3phy s VAL 122 Ca 0.22 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 3phy s VAL 122 Cb -0.15 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3phy s VAL 122 CO 0.11 -0.09 0.77 -0.75 0.00 0.00 0.00 175.10 175.14 3phy s LYS 123 N 1.17 4.23 -0.16 2.72 2.47 0.44 -2.44 119.74 128.16 3phy s LYS 123 Ca -0.06 0.90 -0.14 0.00 -1.56 0.00 0.00 55.97 55.11 3phy s LYS 123 Cb -0.20 -2.71 -0.05 0.00 -1.46 0.00 0.00 37.83 33.42 3phy s LYS 123 CO -0.03 0.29 0.29 0.50 0.16 0.00 0.00 175.35 176.56 3phy s ARG 124 N -2.32 4.26 0.00 4.03 3.52 -1.20 -1.13 118.95 126.11 3phy s ARG 124 Ca 0.48 0.09 0.11 0.00 -0.13 0.00 0.00 55.73 56.28 3phy s ARG 124 Cb -0.15 -3.43 0.09 0.00 -1.56 0.00 0.00 34.95 29.90 3phy s ARG 124 CO 0.20 0.23 0.84 0.28 -0.81 0.00 0.00 175.30 176.04