#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otb s GLU 2 N 0.00 4.18 -0.44 0.03 0.41 -0.38 -5.01 118.70 117.49 1otb s GLU 2 Ca 0.00 0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 55.07 1otb s GLU 2 Cb 0.00 -3.61 0.04 0.00 -1.78 0.00 0.00 34.13 28.77 1otb s GLU 2 CO 0.00 -0.35 0.39 -1.01 -0.49 0.00 0.00 175.26 173.80 1otb s HIS 3 N 2.28 3.21 -0.07 1.61 3.76 -1.26 -4.58 115.29 120.23 1otb s HIS 3 Ca 0.29 -0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1otb s HIS 3 Cb -0.16 -2.89 0.04 0.00 1.11 0.00 0.00 32.58 30.69 1otb s HIS 3 CO 0.09 -0.71 0.16 0.08 -0.85 0.00 0.00 174.74 173.51 1otb s VAL 4 N 1.88 -0.12 0.09 -0.90 1.01 -1.26 -5.15 120.40 115.95 1otb s VAL 4 Ca 0.08 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1otb s VAL 4 Cb -0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1otb s VAL 4 CO 0.10 0.10 0.55 0.00 0.00 0.00 0.00 175.10 175.85 1otb s ALA 5 N 1.52 3.59 0.21 5.51 0.00 -1.26 -4.71 121.76 126.63 1otb s ALA 5 Ca -0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 51.96 51.55 1otb s ALA 5 Cb -0.12 -2.58 -0.13 0.00 0.00 0.00 0.00 23.12 20.29 1otb s ALA 5 CO -0.06 0.42 1.51 0.34 0.00 0.00 0.00 175.76 177.98 1otb n PHE 6 N 1.43 2.32 -0.67 0.00 -0.00 -1.26 -2.04 117.46 117.25 1otb n PHE 6 Ca -0.09 0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 1otb n PHE 6 Cb 0.51 -2.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.47 1otb n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1otb n GLY 7 N 2.74 0.80 3.77 7.13 0.00 -1.26 -5.02 105.19 113.34 1otb n GLY 7 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1otb n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1otb s SER 8 N -2.80 6.10 0.46 1.61 0.01 -0.86 -4.89 113.70 113.32 1otb s SER 8 Ca 0.00 2.86 0.12 0.00 1.31 0.00 0.00 55.95 60.24 1otb s SER 8 Cb 0.00 -2.65 1.04 0.00 0.21 0.00 0.00 66.02 64.62 1otb s SER 8 CO 0.00 -1.02 2.07 -0.33 0.41 0.00 0.00 173.24 174.37 1otb h GLU 9 N 2.56 0.20 -0.42 12.44 4.39 -1.95 -2.77 114.58 129.02 1otb h GLU 9 Ca -0.50 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 58.93 1otb h GLU 9 Cb 1.25 -0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.71 1otb h GLU 9 CO 0.62 0.19 -0.12 -0.40 -1.16 0.00 0.00 179.01 178.14 1otb n ASP 10 N -4.46 2.97 0.20 1.42 5.75 -1.26 -4.74 116.55 116.43 1otb n ASP 10 Ca -0.01 -3.80 0.06 0.00 -0.01 0.00 0.00 54.79 51.04 1otb n ASP 10 Cb 0.12 -0.63 0.55 0.00 -1.03 0.00 0.00 41.12 40.14 1otb n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1otb h ILE 11 N 1.12 1.06 0.00 2.12 2.10 -1.87 -1.31 117.51 120.73 1otb h ILE 11 Ca 0.26 -0.26 -0.08 0.00 1.08 0.00 0.00 64.86 65.86 1otb h ILE 11 Cb 1.59 1.04 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1otb h ILE 11 CO 0.49 0.08 -0.37 1.05 -1.08 0.00 0.00 178.15 178.32 1otb h GLU 12 N 0.09 0.00 -0.21 2.19 9.09 -1.87 -0.71 114.58 123.17 1otb h GLU 12 Ca 0.02 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.24 1otb h GLU 12 Cb 0.11 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.22 1otb h GLU 12 CO 0.00 0.37 -0.63 -0.91 0.05 0.00 0.00 179.01 177.90 1otb h ASN 13 N 0.00 0.91 -0.46 3.06 4.21 -1.63 -2.72 115.58 118.96 1otb h ASN 13 Ca -0.00 -0.59 -0.04 0.00 1.21 0.00 0.00 56.30 56.88 1otb h ASN 13 Cb 0.79 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 1otb h ASN 13 CO 0.05 1.34 0.12 0.74 -1.29 0.00 0.00 177.43 178.39 1otb h THR 14 N 0.53 1.23 0.00 2.81 2.02 -1.19 -2.91 112.91 115.40 1otb h THR 14 Ca -0.02 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1otb h THR 14 Cb 1.25 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1otb h THR 14 CO 0.13 0.28 0.00 0.18 0.37 0.00 0.00 175.52 176.49 1otb n LEU 15 N -4.51 0.15 0.30 2.58 4.32 -0.30 -2.95 117.00 116.58 1otb n LEU 15 Ca 0.01 0.51 0.17 0.00 -0.02 0.00 0.00 56.01 56.68 1otb n LEU 15 Cb 0.21 -0.47 0.93 0.00 -1.62 0.00 0.00 43.42 42.47 1otb n LEU 15 CO 0.39 -0.04 1.08 0.00 -1.22 0.00 0.00 177.39 177.60 1otb h ALA 16 N 2.90 1.22 0.00 -1.18 0.00 -1.27 -2.74 119.26 118.19 1otb h ALA 16 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1otb h ALA 16 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1otb h ALA 16 CO 0.00 0.05 -0.53 0.36 0.00 0.00 0.00 179.25 179.13 1otb n LYS 17 N -3.45 0.16 -3.18 0.00 2.85 -1.15 -4.91 118.16 108.48 1otb n LYS 17 Ca -0.02 0.05 -0.39 0.00 -1.05 0.00 0.00 58.31 56.90 1otb n LYS 17 Cb 0.15 -1.60 -0.06 0.00 -0.65 0.00 0.00 35.03 32.88 1otb n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1otb s MET 18 N -3.09 4.33 0.84 -1.58 -1.94 -1.04 -5.08 119.30 111.73 1otb s MET 18 Ca 0.09 0.81 -0.10 0.00 -1.71 0.00 0.00 55.69 54.78 1otb s MET 18 Cb 0.15 -3.31 0.15 0.00 2.01 0.00 0.00 34.83 33.83 1otb s MET 18 CO 0.70 0.45 1.16 0.16 -0.01 0.00 0.00 175.02 177.48 1otb s ASP 19 N -0.50 3.85 0.35 3.03 3.84 -1.26 -4.85 116.67 121.13 1otb s ASP 19 Ca 0.32 0.13 0.04 0.00 -0.00 0.00 0.00 52.55 53.04 1otb s ASP 19 Cb -0.19 -0.41 0.68 0.00 -1.38 0.00 0.00 42.92 41.62 1otb s ASP 19 CO 0.19 -2.23 1.99 -2.24 -0.00 0.00 0.00 175.17 172.87 1otb h ASP 20 N -1.10 0.71 -0.59 2.11 2.03 -2.00 -1.45 116.42 116.12 1otb h ASP 20 Ca -0.42 -0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 55.81 1otb h ASP 20 Cb 1.26 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 1otb h ASP 20 CO 0.44 0.49 0.12 1.23 -1.03 0.00 0.00 179.24 180.49 1otb h GLY 21 N 0.82 1.04 1.45 7.15 0.00 -2.00 -2.65 103.07 108.87 1otb h GLY 21 Ca 0.27 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1otb h GLY 21 CO -0.08 0.62 -0.23 1.46 0.00 0.00 0.00 176.54 178.32 1otb h GLN 22 N 0.87 0.64 -0.02 4.80 4.20 -1.76 -2.73 115.11 121.12 1otb h GLN 22 Ca 0.18 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1otb h GLN 22 Cb 0.38 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1otb h GLN 22 CO 0.01 0.82 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.78 1otb h LEU 23 N 0.56 0.03 -0.48 1.46 3.38 -0.95 -0.44 115.31 118.87 1otb h LEU 23 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1otb h LEU 23 Cb 0.70 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1otb h LEU 23 CO 0.05 0.17 0.00 0.47 0.09 0.00 0.00 178.44 179.23 1otb n ASP 24 N -4.36 0.45 -0.53 -0.43 8.00 -1.03 -2.36 116.55 116.29 1otb n ASP 24 Ca -0.02 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.20 1otb n ASP 24 Cb 0.22 -0.71 0.41 0.00 -0.02 0.00 0.00 41.12 41.02 1otb n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1otb n GLY 25 N -0.02 0.21 3.80 0.44 0.00 -0.17 -4.65 105.19 104.79 1otb n GLY 25 Ca 0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1otb n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otb s LEU 26 N -1.66 3.40 0.00 0.99 1.43 -0.99 -1.25 118.68 120.60 1otb s LEU 26 Ca 0.33 1.79 0.30 0.00 -1.03 0.00 0.00 54.13 55.52 1otb s LEU 26 Cb 0.18 -4.53 1.48 0.00 0.03 0.00 0.00 46.19 43.35 1otb s LEU 26 CO 0.28 -1.28 2.00 0.00 0.23 0.00 0.00 176.35 177.58 1otb n ALA 27 N -2.33 2.66 -2.15 4.21 0.00 -1.26 -4.75 120.51 116.90 1otb n ALA 27 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1otb n ALA 27 Cb 0.53 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1otb n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1otb s PHE 28 N -2.30 0.81 0.37 0.00 -0.12 -1.26 -5.05 117.98 110.43 1otb s PHE 28 Ca 0.36 -1.11 -0.27 0.00 -0.05 0.00 0.00 56.93 55.86 1otb s PHE 28 Cb 0.21 -0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.02 1otb s PHE 28 CO 0.43 -0.38 1.18 0.20 -0.05 0.00 0.00 175.22 176.60 1otb s GLY 29 N -3.03 2.93 -0.04 1.99 0.00 0.27 -4.61 107.32 104.82 1otb s GLY 29 Ca 0.17 1.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.89 1otb s GLY 29 CO -0.03 1.57 0.08 0.00 0.00 0.00 0.00 173.10 174.72 1otb s ALA 30 N -1.32 -0.07 -0.05 3.20 0.00 -1.26 -1.20 121.76 121.05 1otb s ALA 30 Ca 0.53 0.47 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1otb s ALA 30 Cb -0.33 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1otb s ALA 30 CO 0.42 -0.13 -0.16 0.42 0.00 0.00 0.00 175.76 176.30 1otb s ILE 31 N 1.13 1.37 -0.14 0.00 1.01 -0.03 -1.60 121.20 122.93 1otb s ILE 31 Ca -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1otb s ILE 31 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1otb s ILE 31 CO -0.04 0.40 -0.06 -1.58 0.00 0.00 0.00 174.94 173.65 1otb s GLN 32 N 0.20 3.55 0.09 2.79 0.74 -0.39 -0.70 119.66 125.94 1otb s GLN 32 Ca -0.07 -0.56 0.09 0.00 0.05 0.00 0.00 55.36 54.87 1otb s GLN 32 Cb -0.13 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1otb s GLN 32 CO 0.03 0.26 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.31 1otb s LEU 33 N 0.28 2.50 0.00 3.68 1.43 0.39 -0.25 118.68 126.71 1otb s LEU 33 Ca -0.05 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1otb s LEU 33 Cb -0.14 -1.42 0.21 0.00 0.03 0.00 0.00 46.19 44.87 1otb s LEU 33 CO 0.04 0.21 1.29 -0.90 0.23 0.00 0.00 176.35 177.22 1otb n ASP 34 N 1.20 0.31 0.09 2.29 5.68 -0.48 -0.78 116.55 124.86 1otb n ASP 34 Ca -0.16 -1.59 0.10 0.00 -0.50 0.00 0.00 54.79 52.63 1otb n ASP 34 Cb 0.52 -0.96 0.43 0.00 -1.14 0.00 0.00 41.12 39.97 1otb n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1otb n GLY 35 N -3.58 -1.14 0.32 6.12 0.00 -1.18 -1.55 105.19 104.18 1otb n GLY 35 Ca 0.17 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1otb n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otb n ASP 36 N -2.02 1.34 0.00 1.61 8.00 -1.26 -4.96 116.55 119.26 1otb n ASP 36 Ca 0.02 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1otb n ASP 36 Cb 0.19 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1otb n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1otb n GLY 37 N 1.37 0.76 3.78 0.44 0.00 -0.59 -4.91 105.19 106.03 1otb n GLY 37 Ca 0.11 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1otb n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1otb s ASN 38 N -2.00 7.26 -0.23 1.61 0.01 -1.26 -0.49 114.94 119.84 1otb s ASN 38 Ca 0.00 1.88 -0.24 0.00 -0.71 0.00 0.00 52.86 53.79 1otb s ASN 38 Cb 0.00 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1otb s ASN 38 CO 0.00 -0.13 0.82 -0.63 -1.51 0.00 0.00 177.10 175.65 1otb s ILE 39 N -1.60 4.85 -0.19 0.60 1.01 -0.29 -1.38 121.20 124.19 1otb s ILE 39 Ca 0.51 1.56 0.05 0.00 0.00 0.00 0.00 60.65 62.77 1otb s ILE 39 Cb -0.20 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 37.95 1otb s ILE 39 CO 0.25 -0.05 0.07 0.18 0.00 0.00 0.00 174.94 175.38 1otb n LEU 40 N 5.89 1.94 -3.90 2.97 4.77 0.65 -0.70 117.00 128.62 1otb n LEU 40 Ca 0.05 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1otb n LEU 40 Cb 0.48 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1otb n LEU 40 CO 0.47 0.75 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.97 1otb s GLN 41 N -2.53 0.46 -0.28 3.23 -1.52 -1.13 -4.91 119.66 112.98 1otb s GLN 41 Ca -0.23 -0.48 -0.05 0.00 -1.95 0.00 0.00 55.36 52.65 1otb s GLN 41 Cb 0.08 0.19 0.15 0.00 -0.22 0.00 0.00 33.01 33.21 1otb s GLN 41 CO 0.72 -0.11 0.58 -0.47 -0.25 0.00 0.00 175.29 175.76 1otb s TYR 42 N -1.54 -1.34 0.62 0.91 6.14 -1.26 -1.26 117.35 119.62 1otb s TYR 42 Ca -0.14 1.85 -0.00 0.00 0.64 0.00 0.00 57.07 59.41 1otb s TYR 42 Cb -0.07 0.58 0.06 0.00 0.42 0.00 0.00 41.96 42.95 1otb s TYR 42 CO 0.00 -0.74 0.86 0.54 0.64 0.00 0.00 175.55 176.86 1otb s ASN 43 N 2.82 4.95 0.21 4.32 4.22 -0.63 -4.79 114.94 126.04 1otb s ASN 43 Ca 0.07 -0.07 -0.06 0.00 -2.14 0.00 0.00 52.86 50.66 1otb s ASN 43 Cb -0.14 -0.64 0.17 0.00 1.28 0.00 0.00 41.25 41.93 1otb s ASN 43 CO -0.19 -1.40 1.69 0.00 -2.04 0.00 0.00 177.10 175.16 1otb h ALA 44 N -0.18 0.94 -0.40 3.54 0.00 -1.83 -2.43 119.26 118.90 1otb h ALA 44 Ca -0.41 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1otb h ALA 44 Cb 1.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1otb h ALA 44 CO 0.49 0.64 0.05 0.00 0.00 0.00 0.00 179.25 180.43 1otb h ALA 45 N 1.10 1.34 -0.37 0.00 0.00 -1.83 -1.00 119.26 118.51 1otb h ALA 45 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1otb h ALA 45 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1otb h ALA 45 CO 0.03 0.46 0.01 1.49 0.00 0.00 0.00 179.25 181.24 1otb h GLU 46 N 0.59 0.65 -0.14 0.00 4.57 -1.71 -2.23 114.58 116.31 1otb h GLU 46 Ca 0.13 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1otb h GLU 46 Cb 0.30 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1otb h GLU 46 CO 0.00 0.74 -0.00 0.78 -1.18 0.00 0.00 179.01 179.36 1otb h GLY 47 N 0.47 0.21 1.46 1.92 0.00 -0.94 -1.11 103.07 105.08 1otb h GLY 47 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1otb h GLY 47 CO 0.02 0.09 -0.12 -0.55 0.00 0.00 0.00 176.54 175.98 1otb h ASP 48 N 0.19 0.63 -0.17 0.19 3.32 -0.82 0.65 116.42 120.42 1otb h ASP 48 Ca 0.05 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1otb h ASP 48 Cb 0.14 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.52 1otb h ASP 48 CO 0.00 0.78 -0.56 0.40 -1.72 0.00 0.00 179.24 178.14 1otb h ILE 49 N 0.59 1.32 0.00 0.35 2.04 -0.75 -3.38 117.51 117.68 1otb h ILE 49 Ca 0.10 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1otb h ILE 49 Cb 0.55 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1otb h ILE 49 CO 0.03 0.56 -0.79 0.35 0.00 0.00 0.00 178.15 178.30 1otb n THR 50 N -4.12 0.00 -0.16 -0.27 -2.24 -0.50 -5.00 114.28 101.99 1otb n THR 50 Ca -0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1otb n THR 50 Cb 0.63 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1otb n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1otb n GLY 51 N 1.40 1.80 3.79 3.38 0.00 0.21 -4.96 105.19 110.81 1otb n GLY 51 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1otb n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otb s ARG 52 N -0.30 4.13 -0.27 1.61 3.00 -1.24 -5.01 118.95 120.86 1otb s ARG 52 Ca 0.00 1.43 -0.23 0.00 0.00 0.00 0.00 55.73 56.93 1otb s ARG 52 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 34.95 32.50 1otb s ARG 52 CO 0.00 -0.15 0.75 0.34 0.00 0.00 0.00 175.30 176.23 1otb s ASP 53 N -1.71 6.68 0.31 0.23 3.68 -1.26 -4.40 116.67 120.20 1otb s ASP 53 Ca 0.59 0.77 0.05 0.00 2.13 0.00 0.00 52.55 56.09 1otb s ASP 53 Cb -0.19 -2.39 0.69 0.00 -1.45 0.00 0.00 42.92 39.58 1otb s ASP 53 CO 0.24 -0.51 1.81 -0.65 0.13 0.00 0.00 175.17 176.20 1otb h PRO 54 N 7.94 0.81 0.00 4.34 0.11 -1.89 -0.82 132.00 142.49 1otb h PRO 54 Ca -0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1otb h PRO 54 Cb 1.10 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1otb h PRO 54 CO 0.85 0.54 -0.15 0.87 -0.21 0.00 0.00 178.00 179.90 1otb h LYS 55 N 0.83 0.00 0.00 1.05 6.56 -1.93 -3.00 116.57 120.09 1otb h LYS 55 Ca 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.12 1otb h LYS 55 Cb 0.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1otb h LYS 55 CO -0.30 0.15 -0.14 1.96 -2.06 0.00 0.00 179.45 179.05 1otb h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.56 -3.33 115.11 117.57 1otb h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1otb h GLN 56 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1otb h GLN 56 CO 0.02 0.00 -1.40 1.33 -0.67 0.00 0.00 178.83 178.11 1otb n VAL 57 N -2.71 0.00 -1.88 -0.54 0.24 -1.14 -4.85 118.33 107.45 1otb n VAL 57 Ca 0.04 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 1otb n VAL 57 Cb 0.49 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 1otb n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1otb s ILE 58 N -3.20 2.36 0.00 1.34 -1.09 -1.18 -1.51 121.20 117.92 1otb s ILE 58 Ca 0.02 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1otb s ILE 58 Cb 0.15 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1otb s ILE 58 CO 0.88 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.24 1otb n GLY 59 N 2.79 2.44 3.89 6.18 0.00 0.12 -4.99 105.19 115.62 1otb n GLY 59 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1otb n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otb s LYS 60 N -0.72 3.04 -0.18 1.61 -0.14 -0.57 -4.70 119.74 118.09 1otb s LYS 60 Ca 0.00 0.35 -0.19 0.00 -1.36 0.00 0.00 55.97 54.77 1otb s LYS 60 Cb 0.00 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1otb s LYS 60 CO 0.00 -0.80 0.56 1.21 -0.76 0.00 0.00 175.35 175.56 1otb s ASN 61 N -4.30 6.65 0.15 2.83 3.84 -1.26 -1.13 114.94 121.72 1otb s ASN 61 Ca 0.56 0.78 -0.15 0.00 0.21 0.00 0.00 52.86 54.26 1otb s ASN 61 Cb -0.11 -2.32 0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1otb s ASN 61 CO 0.50 -0.17 1.75 0.15 -2.79 0.00 0.00 177.10 176.53 1otb h PHE 62 N 7.30 0.64 0.04 0.43 3.57 -1.13 -1.00 116.94 126.79 1otb h PHE 62 Ca -0.35 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 60.90 1otb h PHE 62 Cb 1.16 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1otb h PHE 62 CO 0.69 0.49 -1.09 0.74 -2.23 0.00 0.00 178.31 176.91 1otb h PHE 63 N 0.60 0.17 0.10 0.41 0.04 -1.83 0.22 116.94 116.65 1otb h PHE 63 Ca 0.16 -0.12 -0.29 0.00 2.80 0.00 0.00 57.97 60.52 1otb h PHE 63 Cb 0.07 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1otb h PHE 63 CO -0.02 1.10 -1.50 -0.22 -0.60 0.00 0.00 178.31 177.07 1otb h LYS 64 N 0.02 0.22 0.00 1.51 3.64 -1.87 -3.36 116.57 116.72 1otb h LYS 64 Ca -0.05 -0.37 -0.24 0.00 -1.27 0.00 0.00 60.65 58.71 1otb h LYS 64 Cb 1.84 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.76 1otb h LYS 64 CO 0.15 1.18 -1.74 -0.25 -2.27 0.00 0.00 179.45 176.52 1otb n ASP 65 N -3.91 1.28 0.06 4.20 8.00 -0.42 -4.73 116.55 121.03 1otb n ASP 65 Ca -0.27 0.22 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 1otb n ASP 65 Cb 0.90 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1otb n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1otb h VAL 66 N -0.62 1.00 -2.09 2.53 2.07 -1.41 -3.42 116.25 114.30 1otb h VAL 66 Ca -0.37 -2.49 -0.53 0.00 0.82 0.00 0.00 66.70 64.13 1otb h VAL 66 Cb 1.26 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 33.40 1otb h VAL 66 CO -0.22 0.81 -0.99 0.00 0.02 0.00 0.00 177.57 177.19 1otb n ALA 67 N -2.88 2.93 0.30 1.67 0.00 0.76 -4.93 120.51 118.36 1otb n ALA 67 Ca -0.24 -3.85 0.17 0.00 0.00 0.00 0.00 53.44 49.52 1otb n ALA 67 Cb 1.03 -0.86 0.96 0.00 0.00 0.00 0.00 19.45 20.58 1otb n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1otb h PRO 68 N 3.23 0.00 0.00 0.00 0.13 -1.76 -0.48 132.00 133.12 1otb h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1otb h PRO 68 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1otb h PRO 68 CO 0.60 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1otb n THR 70 N -2.48 0.00 -2.74 0.00 -2.24 -0.19 -4.71 114.28 101.92 1otb n THR 70 Ca -0.00 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1otb n THR 70 Cb 0.15 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1otb n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1otb s ASP 71 N -2.42 6.64 0.10 3.42 -1.08 -0.50 -1.31 116.67 121.52 1otb s ASP 71 Ca 0.25 -1.93 -0.25 0.00 -0.52 0.00 0.00 52.55 50.09 1otb s ASP 71 Cb 0.19 -2.49 0.08 0.00 -1.46 0.00 0.00 42.92 39.24 1otb s ASP 71 CO 0.50 -1.23 0.67 -0.94 0.52 0.00 0.00 175.17 174.69 1otb s SER 72 N 4.18 -0.54 0.57 -0.34 1.04 -1.26 -4.97 113.70 112.38 1otb s SER 72 Ca 0.42 0.10 0.29 0.00 0.48 0.00 0.00 55.95 57.24 1otb s SER 72 Cb -0.02 0.55 1.70 0.00 0.10 0.00 0.00 66.02 68.35 1otb s SER 72 CO -0.07 -0.85 2.20 -0.65 0.98 0.00 0.00 173.24 174.85 1otb h PRO 73 N 2.14 0.00 0.00 4.02 0.11 -1.94 -0.99 132.00 135.34 1otb h PRO 73 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1otb h PRO 73 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1otb h PRO 73 CO 0.37 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.13 1otb h GLU 74 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.17 114.58 113.57 1otb h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1otb h GLU 74 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1otb h GLU 74 CO 0.01 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.96 1otb n PHE 75 N -2.41 0.00 -0.30 4.33 -0.00 -1.00 -4.70 117.46 113.38 1otb n PHE 75 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.55 1otb n PHE 75 Cb 0.37 0.16 0.26 0.00 -0.00 0.00 0.00 39.48 40.28 1otb n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1otb h TYR 76 N 0.00 1.02 -0.89 -5.13 3.20 -0.63 -1.51 116.97 113.03 1otb h TYR 76 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1otb h TYR 76 Cb 0.00 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 37.88 1otb h TYR 76 CO 0.00 0.49 0.57 0.78 -1.64 0.00 0.00 178.16 178.36 1otb h GLY 77 N 0.97 1.32 1.02 1.82 0.00 -1.18 0.71 103.07 107.73 1otb h GLY 77 Ca 0.41 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1otb h GLY 77 CO -0.17 0.32 -0.05 0.50 0.00 0.00 0.00 176.54 177.14 1otb h LYS 78 N 1.06 0.89 -0.11 4.80 1.57 -1.29 -2.33 116.57 121.16 1otb h LYS 78 Ca 0.37 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1otb h LYS 78 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1otb h LYS 78 CO -0.15 0.95 0.04 0.35 -0.57 0.00 0.00 179.45 180.08 1otb h PHE 79 N 0.74 0.07 -0.14 -1.35 3.57 -0.69 -1.94 116.94 117.21 1otb h PHE 79 Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1otb h PHE 79 Cb 0.59 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1otb h PHE 79 CO 0.04 0.04 -0.34 1.57 -2.23 0.00 0.00 178.31 177.39 1otb h LYS 80 N 0.10 0.28 -0.46 1.11 5.09 -0.83 -0.41 116.57 121.44 1otb h LYS 80 Ca 0.05 -0.11 -0.10 0.00 0.09 0.00 0.00 60.65 60.58 1otb h LYS 80 Cb 0.02 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.32 1otb h LYS 80 CO -0.05 0.59 -0.10 1.49 -2.09 0.00 0.00 179.45 179.29 1otb h GLU 81 N 0.24 0.84 -0.49 0.07 4.57 -1.33 -1.24 114.58 117.22 1otb h GLU 81 Ca 0.03 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1otb h GLU 81 Cb 0.72 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1otb h GLU 81 CO 0.05 0.90 0.18 0.78 -1.18 0.00 0.00 179.01 179.74 1otb h GLY 82 N 0.97 0.81 0.91 1.92 0.00 -0.52 -1.37 103.07 105.78 1otb h GLY 82 Ca 0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1otb h GLY 82 CO 0.04 0.43 0.11 -2.08 0.00 0.00 0.00 176.54 175.04 1otb h VAL 83 N 0.66 1.17 -0.85 4.60 2.07 -0.99 0.13 116.25 123.05 1otb h VAL 83 Ca 0.16 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1otb h VAL 83 Cb 0.23 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1otb h VAL 83 CO -0.01 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.19 1otb h ALA 84 N 0.96 1.15 0.00 1.67 0.00 -0.96 -2.79 119.26 119.28 1otb h ALA 84 Ca 0.09 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1otb h ALA 84 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1otb h ALA 84 CO -0.01 0.66 -0.55 0.77 0.00 0.00 0.00 179.25 180.12 1otb h SER 85 N 1.21 0.00 -0.13 0.00 0.02 -1.06 -3.48 113.55 110.11 1otb h SER 85 Ca 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1otb h SER 85 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1otb h SER 85 CO -0.04 0.55 -0.04 0.61 -1.14 0.00 0.00 176.83 176.77 1otb n GLY 86 N 1.13 0.50 3.30 -3.77 0.00 0.43 -5.03 105.19 101.75 1otb n GLY 86 Ca 0.02 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1otb n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1otb s ASN 87 N -2.97 -0.42 -0.25 1.61 3.04 -0.99 -5.03 114.94 109.93 1otb s ASN 87 Ca 0.00 0.81 -0.13 0.00 0.04 0.00 0.00 52.86 53.59 1otb s ASN 87 Cb 0.00 0.82 0.09 0.00 -1.54 0.00 0.00 41.25 40.62 1otb s ASN 87 CO 0.00 -0.14 0.60 -0.22 -3.04 0.00 0.00 177.10 174.30 1otb s LEU 88 N 0.21 -0.78 -0.35 3.21 2.96 -1.26 -4.33 118.68 118.34 1otb s LEU 88 Ca -0.00 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 1otb s LEU 88 Cb -0.03 2.08 0.19 0.00 0.50 0.00 0.00 46.19 48.93 1otb s LEU 88 CO 0.01 -0.23 0.62 0.21 -1.32 0.00 0.00 176.35 175.64 1otb s ASN 89 N 1.89 -1.57 -0.02 3.68 2.47 -1.24 -1.80 114.94 118.36 1otb s ASN 89 Ca -0.09 -0.27 -0.06 0.00 0.42 0.00 0.00 52.86 52.86 1otb s ASN 89 Cb -0.08 1.98 0.01 0.00 -1.45 0.00 0.00 41.25 41.71 1otb s ASN 89 CO -0.18 -0.23 0.13 0.28 -3.72 0.00 0.00 177.10 173.38 1otb s THR 90 N 2.36 0.05 -0.03 -5.21 -1.32 -0.52 -5.00 115.64 105.97 1otb s THR 90 Ca 0.13 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1otb s THR 90 Cb -0.07 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1otb s THR 90 CO -0.17 -0.24 -0.11 -0.32 -2.21 0.00 0.00 174.62 171.58 1otb s MET 91 N -0.80 1.10 0.13 7.08 1.75 -1.26 -0.78 119.30 126.51 1otb s MET 91 Ca -0.09 -0.37 -0.24 0.00 -1.25 0.00 0.00 55.69 53.75 1otb s MET 91 Cb -0.05 -1.01 0.07 0.00 2.84 0.00 0.00 34.83 36.67 1otb s MET 91 CO 0.01 0.15 0.60 -0.59 -0.65 0.00 0.00 175.02 174.53 1otb s PHE 92 N 0.13 -0.54 0.33 4.11 -0.71 -0.38 -4.99 117.98 115.93 1otb s PHE 92 Ca -0.03 0.41 -0.11 0.00 -1.04 0.00 0.00 56.93 56.16 1otb s PHE 92 Cb -0.09 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 1otb s PHE 92 CO 0.01 -0.81 0.69 -1.21 -1.34 0.00 0.00 175.22 172.55 1otb s GLU 93 N -3.43 3.84 0.16 1.99 2.02 -1.26 -0.46 118.70 121.55 1otb s GLU 93 Ca -0.00 0.44 -0.17 0.00 0.02 0.00 0.00 54.97 55.26 1otb s GLU 93 Cb -0.01 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.77 1otb s GLU 93 CO -0.10 0.13 0.47 -0.47 0.02 0.00 0.00 175.26 175.30 1otb s TYR 94 N -2.10 -0.20 -0.16 1.61 5.04 -0.33 -4.92 117.35 116.30 1otb s TYR 94 Ca 0.51 -0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1otb s TYR 94 Cb -0.10 0.34 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 1otb s TYR 94 CO 0.24 -0.80 -0.13 0.99 -1.34 0.00 0.00 175.55 174.51 1otb s THR 95 N -3.83 2.88 -0.20 4.34 2.01 -1.26 -0.98 115.64 118.61 1otb s THR 95 Ca 0.05 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1otb s THR 95 Cb 0.01 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1otb s THR 95 CO -0.08 0.50 0.37 -0.36 -0.69 0.00 0.00 174.62 174.36 1otb s PHE 96 N 0.78 3.38 0.00 4.92 0.08 -0.24 -4.90 117.98 122.00 1otb s PHE 96 Ca -0.05 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1otb s PHE 96 Cb -0.15 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1otb s PHE 96 CO 0.01 0.02 0.74 -0.40 -0.10 0.00 0.00 175.22 175.48 1otb n ASP 97 N 4.37 0.00 -4.56 1.36 5.68 -1.26 -1.19 116.55 120.94 1otb n ASP 97 Ca -0.09 -1.53 -0.41 0.00 -0.50 0.00 0.00 54.79 52.26 1otb n ASP 97 Cb 0.51 -0.11 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 1otb n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1otb s TYR 98 N 0.00 3.21 -1.47 2.11 5.04 -1.26 -4.17 117.35 120.81 1otb s TYR 98 Ca 0.00 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.76 1otb s TYR 98 Cb 0.00 -2.78 0.03 0.00 0.35 0.00 0.00 41.96 39.56 1otb s TYR 98 CO 0.00 -0.44 0.53 1.04 -1.34 0.00 0.00 175.55 175.34 1otb n GLN 99 N 5.55 -4.27 -3.66 4.97 6.02 -1.26 -4.93 117.38 119.79 1otb n GLN 99 Ca -0.07 0.77 -0.10 0.00 -0.01 0.00 0.00 57.00 57.60 1otb n GLN 99 Cb 0.49 -5.58 -0.03 0.00 1.02 0.00 0.00 30.24 26.15 1otb n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1otb s MET 100 N -5.75 1.45 0.27 -1.09 0.23 -1.26 -5.11 119.30 108.03 1otb s MET 100 Ca 0.31 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 53.91 1otb s MET 100 Cb -0.15 0.57 -0.10 0.00 -1.53 0.00 0.00 34.83 33.62 1otb s MET 100 CO 0.39 -0.63 1.45 0.99 -2.03 0.00 0.00 175.02 175.18 1otb s THR 101 N -3.84 2.58 0.19 3.16 2.01 -1.26 -4.75 115.64 113.72 1otb s THR 101 Ca 0.07 0.50 -0.32 0.00 0.31 0.00 0.00 61.69 62.24 1otb s THR 101 Cb -0.02 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 1otb s THR 101 CO -0.04 0.08 1.71 -2.65 -0.69 0.00 0.00 174.62 173.04 1otb n PRO 102 N 2.12 2.67 -3.97 4.92 -0.02 -1.26 -4.76 135.00 134.70 1otb n PRO 102 Ca 0.06 0.96 -0.24 0.00 -2.02 0.00 0.00 63.50 62.26 1otb n PRO 102 Cb 0.40 -2.80 -0.17 0.00 -0.02 0.00 0.00 33.50 30.91 1otb n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1otb s THR 103 N 1.28 0.74 0.01 3.45 2.01 -0.34 -4.96 115.64 117.82 1otb s THR 103 Ca 0.76 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.39 1otb s THR 103 Cb -0.53 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1otb s THR 103 CO 0.34 0.31 0.69 -0.75 -0.69 0.00 0.00 174.62 174.52 1otb s LYS 104 N 1.56 4.42 0.13 4.92 2.20 -1.26 -1.08 119.74 130.63 1otb s LYS 104 Ca 0.00 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 1otb s LYS 104 Cb -0.13 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1otb s LYS 104 CO -0.05 0.27 -0.02 0.14 -0.36 0.00 0.00 175.35 175.34 1otb s VAL 105 N 0.06 0.57 -0.17 4.02 -7.23 -0.15 -3.09 120.40 114.41 1otb s VAL 105 Ca 0.36 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 1otb s VAL 105 Cb -0.19 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1otb s VAL 105 CO 0.20 -0.66 0.09 -0.75 -0.31 0.00 0.00 175.10 173.67 1otb s LYS 106 N -3.90 3.92 -0.08 4.82 2.20 0.33 -1.19 119.74 125.85 1otb s LYS 106 Ca 0.18 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1otb s LYS 106 Cb 0.06 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1otb s LYS 106 CO -0.01 0.37 -0.16 0.08 -0.36 0.00 0.00 175.35 175.27 1otb s VAL 107 N 0.12 2.84 -0.16 4.02 1.01 0.39 -1.57 120.40 127.05 1otb s VAL 107 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1otb s VAL 107 Cb -0.12 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1otb s VAL 107 CO 0.00 0.57 -0.15 -2.28 0.00 0.00 0.00 175.10 173.24 1otb s HIS 108 N -0.26 2.26 -0.14 5.22 2.46 0.04 -1.25 115.29 123.61 1otb s HIS 108 Ca 0.01 -1.30 -0.04 0.00 0.47 0.00 0.00 55.06 54.21 1otb s HIS 108 Cb -0.13 -1.64 -0.03 0.00 -0.13 0.00 0.00 32.58 30.65 1otb s HIS 108 CO 0.03 -0.69 -0.02 -1.64 -2.47 0.00 0.00 174.74 169.95 1otb s MET 109 N 1.46 3.55 -0.11 2.88 -1.94 0.04 -0.54 119.30 124.63 1otb s MET 109 Ca 0.05 -0.48 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1otb s MET 109 Cb -0.13 -2.92 0.03 0.00 2.01 0.00 0.00 34.83 33.82 1otb s MET 109 CO -0.11 0.35 0.30 0.21 -0.01 0.00 0.00 175.02 175.76 1otb s LYS 110 N 0.08 0.34 0.37 2.03 2.20 -0.49 -1.44 119.74 122.84 1otb s LYS 110 Ca 0.01 0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 1otb s LYS 110 Cb -0.13 0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 36.23 1otb s LYS 110 CO 0.02 -0.06 1.36 0.21 -0.36 0.00 0.00 175.35 176.53 1otb s LYS 111 N 0.29 4.14 0.81 4.03 2.20 -0.74 -0.61 119.74 129.85 1otb s LYS 111 Ca -0.01 2.31 -0.12 0.00 -0.36 0.00 0.00 55.97 57.79 1otb s LYS 111 Cb -0.03 -2.93 0.07 0.00 -1.51 0.00 0.00 37.83 33.43 1otb s LYS 111 CO -0.01 -0.40 1.11 0.00 -0.36 0.00 0.00 175.35 175.69 1otb s ALA 112 N -1.17 2.27 0.26 3.13 0.00 -0.24 -4.81 121.76 121.21 1otb s ALA 112 Ca 0.53 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1otb s ALA 112 Cb -0.41 -3.08 0.35 0.00 0.00 0.00 0.00 23.12 19.98 1otb s ALA 112 CO 0.55 -1.74 1.65 1.25 0.00 0.00 0.00 175.76 177.46 1otb h LEU 113 N -1.10 0.37-10.06 0.00 5.85 -1.87 -3.43 115.31 105.07 1otb h LEU 113 Ca -0.47 -0.16 -0.48 0.00 0.84 0.00 0.00 57.88 57.61 1otb h LEU 113 Cb 1.28 -0.10 0.04 0.00 0.37 0.00 0.00 40.66 42.24 1otb h LEU 113 CO 0.61 0.76 0.40 -0.94 -0.34 0.00 0.00 178.44 178.92 1otb s SER 114 N -6.87 6.26 0.14 1.25 1.04 -1.26 -4.99 113.70 109.27 1otb s SER 114 Ca -0.05 2.01 -0.30 0.00 0.48 0.00 0.00 55.95 58.09 1otb s SER 114 Cb 0.13 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1otb s SER 114 CO 0.79 -0.84 1.57 1.23 0.98 0.00 0.00 173.24 176.97 1otb h GLY 115 N 1.62 -0.76 -4.86 7.32 0.00 -2.03 -3.23 103.07 101.13 1otb h GLY 115 Ca -0.49 0.60 -0.57 0.00 0.00 0.00 0.00 47.33 46.87 1otb h GLY 115 CO 0.59 -0.18 -0.74 1.34 0.00 0.00 0.00 176.54 177.55 1otb n ASP 116 N -5.41 4.31 -4.06 0.19 2.03 -1.26 -4.95 116.55 107.40 1otb n ASP 116 Ca -0.03 -3.63 -0.10 0.00 0.52 0.00 0.00 54.79 51.56 1otb n ASP 116 Cb 0.36 -0.50 -0.11 0.00 -0.72 0.00 0.00 41.12 40.15 1otb n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1otb s SER 117 N -3.46 0.59 -0.00 1.67 1.04 -1.22 -3.07 113.70 109.24 1otb s SER 117 Ca 0.47 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1otb s SER 117 Cb 0.36 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1otb s SER 117 CO -0.16 -0.39 -0.01 -0.31 0.98 0.00 0.00 173.24 173.35 1otb s TYR 118 N -2.50 0.13 -0.03 5.02 1.51 0.04 -1.07 117.35 120.44 1otb s TYR 118 Ca -0.04 -0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1otb s TYR 118 Cb -0.02 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1otb s TYR 118 CO -0.04 -0.01 0.20 -1.58 -1.11 0.00 0.00 175.55 173.01 1otb s TRP 119 N 0.03 3.57 -0.18 2.71 0.52 0.22 -0.46 118.94 125.35 1otb s TRP 119 Ca -0.00 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.58 1otb s TRP 119 Cb -0.01 -1.90 0.03 0.00 -1.15 0.00 0.00 33.47 30.43 1otb s TRP 119 CO -0.00 0.66 -0.16 0.08 0.02 0.00 0.00 176.95 177.55 1otb s VAL 120 N -1.25 1.84 -0.05 4.03 1.01 0.13 -1.39 120.40 124.71 1otb s VAL 120 Ca 0.25 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1otb s VAL 120 Cb -0.13 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1otb s VAL 120 CO 0.15 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 175.23 1otb s PHE 121 N 1.36 2.87 -0.02 5.22 0.08 0.30 -0.85 117.98 126.94 1otb s PHE 121 Ca 0.03 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1otb s PHE 121 Cb -0.14 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1otb s PHE 121 CO -0.11 0.31 -0.02 0.08 -0.10 0.00 0.00 175.22 175.38 1otb s VAL 122 N -0.84 0.24 0.04 -0.44 1.01 -0.34 -0.78 120.40 119.30 1otb s VAL 122 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1otb s VAL 122 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1otb s VAL 122 CO 0.03 0.11 0.02 -1.59 0.00 0.00 0.00 175.10 173.67 1otb s LYS 123 N 0.40 0.54 0.54 2.72 -2.85 -0.61 -0.57 119.74 119.91 1otb s LYS 123 Ca -0.04 -0.91 -0.19 0.00 -1.00 0.00 0.00 55.97 53.83 1otb s LYS 123 Cb -0.07 0.20 -0.06 0.00 -2.06 0.00 0.00 37.83 35.84 1otb s LYS 123 CO -0.01 -0.12 1.09 1.03 0.10 0.00 0.00 175.35 177.45 1otb s ARG 124 N -2.91 3.46 0.00 1.78 0.52 -1.26 -0.51 118.95 120.03 1otb s ARG 124 Ca -0.02 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1otb s ARG 124 Cb 0.01 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1otb s ARG 124 CO -0.06 -0.73 0.24 1.33 0.02 0.00 0.00 175.30 176.10