#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f98 s GLU 2 N 0.00 4.09 -1.24 2.12 0.41 -0.76 -4.95 118.70 118.37 1f98 s GLU 2 Ca 0.00 1.97 -0.08 0.00 -0.41 0.00 0.00 54.97 56.45 1f98 s GLU 2 Cb 0.00 -2.77 0.19 0.00 -1.78 0.00 0.00 34.13 29.77 1f98 s GLU 2 CO 0.00 -0.33 1.80 0.72 -0.49 0.00 0.00 175.26 176.97 1f98 n HIS 3 N 0.23 2.82 -4.00 1.61 8.25 -1.26 -4.68 115.22 118.19 1f98 n HIS 3 Ca 0.03 -2.75 -0.25 0.00 -0.26 0.00 0.00 57.72 54.50 1f98 n HIS 3 Cb 0.45 -1.82 -0.17 0.00 1.12 0.00 0.00 29.99 29.57 1f98 n HIS 3 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1f98 s VAL 4 N -0.19 0.81 0.12 1.59 1.01 -1.26 -5.15 120.40 117.33 1f98 s VAL 4 Ca 0.38 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1f98 s VAL 4 Cb 0.09 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1f98 s VAL 4 CO 0.02 0.32 0.62 0.00 0.00 0.00 0.00 175.10 176.06 1f98 s ALA 5 N 1.52 3.55 0.15 5.51 0.00 -1.26 -4.68 121.76 126.54 1f98 s ALA 5 Ca 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 51.96 51.70 1f98 s ALA 5 Cb -0.13 -2.69 -0.15 0.00 0.00 0.00 0.00 23.12 20.14 1f98 s ALA 5 CO -0.05 0.38 1.33 0.34 0.00 0.00 0.00 175.76 177.77 1f98 n PHE 6 N 1.45 1.66 -0.91 0.00 7.35 -1.26 -2.03 117.46 123.72 1f98 n PHE 6 Ca -0.08 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1f98 n PHE 6 Cb 0.51 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.97 1f98 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1f98 n GLY 7 N 2.45 0.66 3.76 7.13 0.00 -1.26 -5.02 105.19 112.92 1f98 n GLY 7 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1f98 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f98 s SER 8 N -2.28 5.94 0.33 1.61 0.01 -0.86 -4.92 113.70 113.53 1f98 s SER 8 Ca 0.00 2.78 0.04 0.00 1.31 0.00 0.00 55.95 60.08 1f98 s SER 8 Cb 0.00 -2.64 0.66 0.00 0.21 0.00 0.00 66.02 64.25 1f98 s SER 8 CO 0.00 -1.11 1.90 -0.08 0.41 0.00 0.00 173.24 174.36 1f98 h GLU 9 N 2.30 0.84 -1.25 12.44 4.81 -1.95 -2.68 114.58 129.10 1f98 h GLU 9 Ca -0.50 -0.05 -0.58 0.00 -0.13 0.00 0.00 59.36 58.09 1f98 h GLU 9 Cb 1.26 -0.19 -0.42 0.00 0.63 0.00 0.00 28.75 30.04 1f98 h GLU 9 CO 0.61 0.56 -0.69 -0.25 -0.73 0.00 0.00 179.01 178.51 1f98 n ASP 10 N -4.52 4.92 -0.29 1.04 9.92 -1.26 -4.77 116.55 121.58 1f98 n ASP 10 Ca 0.14 -3.74 0.10 0.00 -0.53 0.00 0.00 54.79 50.76 1f98 n ASP 10 Cb 0.29 -0.44 0.32 0.00 -0.64 0.00 0.00 41.12 40.65 1f98 n ASP 10 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1f98 h ILE 11 N 2.40 0.89 0.00 0.53 2.10 -1.86 -0.84 117.51 120.73 1f98 h ILE 11 Ca 0.34 -0.28 -0.07 0.00 1.08 0.00 0.00 64.86 65.93 1f98 h ILE 11 Cb 1.11 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1f98 h ILE 11 CO 0.85 0.15 -0.33 1.05 -1.08 0.00 0.00 178.15 178.78 1f98 h GLU 12 N 0.82 0.00 -0.09 2.19 9.09 -1.87 -0.86 114.58 123.86 1f98 h GLU 12 Ca 0.45 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.74 1f98 h GLU 12 Cb 0.58 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.68 1f98 h GLU 12 CO -0.21 0.33 -0.41 -0.91 0.05 0.00 0.00 179.01 177.87 1f98 h ASN 13 N 0.00 0.51 -0.91 3.06 4.21 -1.55 -2.66 115.58 118.24 1f98 h ASN 13 Ca -0.00 -0.64 0.00 0.00 1.21 0.00 0.00 56.30 56.87 1f98 h ASN 13 Cb 0.64 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.64 1f98 h ASN 13 CO 0.04 1.07 0.57 0.74 -1.29 0.00 0.00 177.43 178.56 1f98 h THR 14 N -0.01 1.25 0.00 2.81 2.02 -1.02 -2.47 112.91 115.48 1f98 h THR 14 Ca -0.03 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1f98 h THR 14 Cb 1.05 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1f98 h THR 14 CO 0.08 0.25 0.00 0.18 0.37 0.00 0.00 175.52 176.40 1f98 n LEU 15 N -4.41 0.84 0.32 2.58 4.32 -0.36 -2.95 117.00 117.34 1f98 n LEU 15 Ca 0.10 0.58 0.20 0.00 -0.02 0.00 0.00 56.01 56.88 1f98 n LEU 15 Cb 0.04 -0.32 1.09 0.00 -1.62 0.00 0.00 43.42 42.61 1f98 n LEU 15 CO 0.37 -0.21 1.15 0.00 -1.22 0.00 0.00 177.39 177.49 1f98 h ALA 16 N 2.49 1.14 -0.00 -1.18 0.00 -1.07 -2.79 119.26 117.86 1f98 h ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1f98 h ALA 16 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1f98 h ALA 16 CO 0.00 0.01 -0.32 0.36 0.00 0.00 0.00 179.25 179.30 1f98 n LYS 17 N -3.30 0.44 -3.05 0.00 2.85 -1.15 -4.93 118.16 109.01 1f98 n LYS 17 Ca -0.03 -0.24 -0.40 0.00 -1.05 0.00 0.00 58.31 56.60 1f98 n LYS 17 Cb 0.10 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.93 1f98 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1f98 s MET 18 N -2.72 4.43 1.00 -1.58 -1.94 -1.05 -5.09 119.30 112.34 1f98 s MET 18 Ca 0.19 0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 54.86 1f98 s MET 18 Cb 0.19 -3.45 0.22 0.00 2.01 0.00 0.00 34.83 33.80 1f98 s MET 18 CO 0.59 0.05 1.33 0.16 -0.01 0.00 0.00 175.02 177.13 1f98 s ASP 19 N 0.81 2.75 0.21 3.03 1.47 -1.26 -4.76 116.67 118.91 1f98 s ASP 19 Ca 0.37 0.23 -0.09 0.00 1.18 0.00 0.00 52.55 54.23 1f98 s ASP 19 Cb -0.18 -0.22 0.25 0.00 -0.34 0.00 0.00 42.92 42.43 1f98 s ASP 19 CO 0.18 -2.96 1.80 -0.78 0.68 0.00 0.00 175.17 174.09 1f98 h ASP 20 N -1.80 0.53 -0.11 2.11 3.58 -2.00 -0.59 116.42 118.15 1f98 h ASP 20 Ca -0.44 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 1f98 h ASP 20 Cb 1.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1f98 h ASP 20 CO 0.34 0.34 -0.10 1.23 -2.88 0.00 0.00 179.24 178.16 1f98 h GLY 21 N 0.67 0.46 0.75 -0.78 0.00 -1.98 -2.34 103.07 99.85 1f98 h GLY 21 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1f98 h GLY 21 CO -0.19 0.28 -0.06 1.46 0.00 0.00 0.00 176.54 178.03 1f98 h GLN 22 N 0.40 0.31 -0.40 4.80 4.20 -1.54 -2.63 115.11 120.24 1f98 h GLN 22 Ca 0.08 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1f98 h GLN 22 Cb 0.43 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1f98 h GLN 22 CO 0.02 0.62 0.27 1.25 -0.67 0.00 0.00 178.83 180.32 1f98 h LEU 23 N -0.02 0.45 -0.81 1.46 5.85 -0.99 -0.46 115.31 120.80 1f98 h LEU 23 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1f98 h LEU 23 Cb 0.52 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1f98 h LEU 23 CO 0.02 0.32 0.00 0.47 -0.34 0.00 0.00 178.44 178.91 1f98 n ASP 24 N -4.48 0.62 -0.22 1.25 8.00 -0.89 -2.37 116.55 118.46 1f98 n ASP 24 Ca 0.03 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.34 1f98 n ASP 24 Cb 0.07 -0.80 0.50 0.00 -0.02 0.00 0.00 41.12 40.87 1f98 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f98 n GLY 25 N -0.26 -0.67 3.78 0.44 0.00 -0.18 -4.56 105.19 103.74 1f98 n GLY 25 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1f98 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f98 s LEU 26 N -2.41 3.74 0.00 0.99 1.43 -1.00 -1.83 118.68 119.60 1f98 s LEU 26 Ca 0.28 2.08 0.21 0.00 -1.03 0.00 0.00 54.13 55.68 1f98 s LEU 26 Cb 0.20 -4.57 0.99 0.00 0.03 0.00 0.00 46.19 42.83 1f98 s LEU 26 CO 0.48 -1.14 1.68 0.00 0.23 0.00 0.00 176.35 177.60 1f98 n ALA 27 N -1.33 2.03 -2.20 4.21 0.00 -1.26 -4.77 120.51 117.19 1f98 n ALA 27 Ca 0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1f98 n ALA 27 Cb 0.51 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 1f98 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1f98 s PHE 28 N -2.80 1.02 0.37 0.00 -0.12 -1.26 -5.04 117.98 110.14 1f98 s PHE 28 Ca 0.15 -0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 55.78 1f98 s PHE 28 Cb 0.14 -0.59 -0.09 0.00 -0.63 0.00 0.00 43.02 41.86 1f98 s PHE 28 CO 0.36 -0.21 1.17 0.20 -0.05 0.00 0.00 175.22 176.69 1f98 s GLY 29 N -3.10 2.91 -0.05 1.99 0.00 0.27 -4.60 107.32 104.75 1f98 s GLY 29 Ca 0.18 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 1f98 s GLY 29 CO -0.01 1.53 0.08 0.00 0.00 0.00 0.00 173.10 174.71 1f98 s ALA 30 N -1.34 0.09 -0.07 3.20 0.00 -1.26 -1.20 121.76 121.18 1f98 s ALA 30 Ca 0.54 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1f98 s ALA 30 Cb -0.32 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1f98 s ALA 30 CO 0.41 -0.40 -0.19 0.42 0.00 0.00 0.00 175.76 175.99 1f98 s ILE 31 N 1.90 1.64 -0.13 0.00 1.01 -0.28 -1.64 121.20 123.70 1f98 s ILE 31 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1f98 s ILE 31 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1f98 s ILE 31 CO -0.04 0.47 -0.14 -1.58 0.00 0.00 0.00 174.94 173.65 1f98 s GLN 32 N 0.22 3.35 0.13 2.79 0.74 -0.40 -0.70 119.66 125.79 1f98 s GLN 32 Ca -0.10 -0.70 0.10 0.00 0.05 0.00 0.00 55.36 54.70 1f98 s GLN 32 Cb -0.15 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 1f98 s GLN 32 CO 0.05 0.20 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.28 1f98 s LEU 33 N 0.38 2.63 0.00 3.68 1.43 0.32 -0.16 118.68 126.95 1f98 s LEU 33 Ca -0.11 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1f98 s LEU 33 Cb -0.16 -1.46 0.20 0.00 0.03 0.00 0.00 46.19 44.79 1f98 s LEU 33 CO 0.06 0.17 1.11 -0.90 0.23 0.00 0.00 176.35 177.01 1f98 n ASP 34 N 0.73 -0.10 0.24 2.29 5.68 -0.37 -1.03 116.55 123.99 1f98 n ASP 34 Ca -0.16 -1.37 0.16 0.00 -0.50 0.00 0.00 54.79 52.92 1f98 n ASP 34 Cb 0.53 -0.86 0.68 0.00 -1.14 0.00 0.00 41.12 40.34 1f98 n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1f98 h GLY 35 N -1.56 0.00 0.56 6.12 0.00 -1.91 -1.80 103.07 104.47 1f98 h GLY 35 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1f98 h GLY 35 CO 0.25 0.00 -0.47 1.22 0.00 0.00 0.00 176.54 177.54 1f98 n ASP 36 N -2.83 0.79 0.00 0.19 10.43 -1.26 -4.95 116.55 118.92 1f98 n ASP 36 Ca 0.01 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.77 1f98 n ASP 36 Cb 0.25 0.30 0.00 0.00 1.84 0.00 0.00 41.12 43.51 1f98 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f98 n GLY 37 N 1.45 1.00 3.76 0.44 0.00 -0.68 -4.92 105.19 106.24 1f98 n GLY 37 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1f98 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f98 s ASN 38 N -2.00 7.20 -0.27 1.61 0.01 -1.26 -0.86 114.94 119.36 1f98 s ASN 38 Ca 0.00 2.33 -0.25 0.00 -0.71 0.00 0.00 52.86 54.23 1f98 s ASN 38 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1f98 s ASN 38 CO 0.00 -0.20 0.87 -0.63 -1.51 0.00 0.00 177.10 175.62 1f98 s ILE 39 N -1.13 4.77 -0.20 0.60 1.01 -0.28 -1.23 121.20 124.74 1f98 s ILE 39 Ca 0.45 1.51 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 1f98 s ILE 39 Cb -0.33 -4.18 -0.21 0.00 0.01 0.00 0.00 42.46 37.75 1f98 s ILE 39 CO 0.43 -0.19 0.05 0.18 0.00 0.00 0.00 174.94 175.41 1f98 n LEU 40 N 6.21 2.67 -4.05 2.97 4.77 0.77 -0.72 117.00 129.62 1f98 n LEU 40 Ca 0.06 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1f98 n LEU 40 Cb 0.47 -1.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1f98 n LEU 40 CO 0.50 0.82 -0.39 -1.10 -1.33 0.00 0.00 177.39 175.90 1f98 s GLN 41 N -2.52 0.48 -0.30 3.23 -1.52 -0.99 -4.92 119.66 113.12 1f98 s GLN 41 Ca -0.29 -0.76 -0.02 0.00 -1.95 0.00 0.00 55.36 52.34 1f98 s GLN 41 Cb 0.08 -0.16 0.19 0.00 -0.22 0.00 0.00 33.01 32.90 1f98 s GLN 41 CO 0.66 0.01 0.67 -0.47 -0.25 0.00 0.00 175.29 175.92 1f98 s TYR 42 N -1.58 -1.46 0.63 0.91 6.14 -1.26 -1.28 117.35 119.46 1f98 s TYR 42 Ca -0.10 1.47 -0.04 0.00 0.64 0.00 0.00 57.07 59.03 1f98 s TYR 42 Cb -0.09 0.48 0.04 0.00 0.42 0.00 0.00 41.96 42.81 1f98 s TYR 42 CO -0.01 -0.81 0.92 0.54 0.64 0.00 0.00 175.55 176.84 1f98 s ASN 43 N 2.87 5.13 0.24 4.32 4.22 -0.65 -4.74 114.94 126.33 1f98 s ASN 43 Ca 0.17 0.38 -0.04 0.00 -2.14 0.00 0.00 52.86 51.23 1f98 s ASN 43 Cb -0.14 -1.19 0.25 0.00 1.28 0.00 0.00 41.25 41.46 1f98 s ASN 43 CO -0.20 -1.34 1.74 0.00 -2.04 0.00 0.00 177.10 175.27 1f98 h ALA 44 N -0.30 1.05 -0.89 3.54 0.00 -1.84 -2.39 119.26 118.42 1f98 h ALA 44 Ca -0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1f98 h ALA 44 Cb 1.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1f98 h ALA 44 CO 0.58 0.61 0.51 0.00 0.00 0.00 0.00 179.25 180.95 1f98 h ALA 45 N 1.19 1.14 -0.13 0.00 0.00 -1.84 -1.16 119.26 118.46 1f98 h ALA 45 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f98 h ALA 45 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1f98 h ALA 45 CO 0.01 0.63 0.05 1.49 0.00 0.00 0.00 179.25 181.43 1f98 h GLU 46 N 1.24 0.20 -0.60 0.00 4.57 -1.73 -2.41 114.58 115.84 1f98 h GLU 46 Ca 0.32 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.49 1f98 h GLU 46 Cb -0.00 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1f98 h GLU 46 CO -0.05 0.31 0.40 0.78 -1.18 0.00 0.00 179.01 179.26 1f98 h GLY 47 N 0.05 0.80 1.32 1.92 0.00 -1.08 -1.75 103.07 104.33 1f98 h GLY 47 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1f98 h GLY 47 CO -0.00 0.24 -0.24 -0.55 0.00 0.00 0.00 176.54 175.98 1f98 h ASP 48 N 0.70 0.79 -0.31 0.19 3.32 -0.98 0.78 116.42 120.92 1f98 h ASP 48 Ca 0.24 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1f98 h ASP 48 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1f98 h ASP 48 CO -0.07 1.01 0.13 0.40 -1.72 0.00 0.00 179.24 178.99 1f98 h ILE 49 N 0.67 1.17 -0.02 0.35 2.04 -0.83 -3.34 117.51 117.56 1f98 h ILE 49 Ca 0.09 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1f98 h ILE 49 Cb 0.76 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1f98 h ILE 49 CO 0.06 0.18 -0.08 1.33 0.00 0.00 0.00 178.15 179.64 1f98 n VAL 50 N -4.74 0.00 -3.09 1.67 0.24 -0.99 -5.00 118.33 106.42 1f98 n VAL 50 Ca -0.02 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 1f98 n VAL 50 Cb 0.13 1.35 0.07 0.00 -1.47 0.00 0.00 33.84 33.91 1f98 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f98 n GLY 51 N 1.08 -0.16 3.33 7.63 0.00 0.22 -4.77 105.19 112.52 1f98 n GLY 51 Ca 0.10 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1f98 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f98 s ARG 52 N -5.09 1.27 -0.33 1.61 3.00 -0.89 -5.06 118.95 113.45 1f98 s ARG 52 Ca 0.04 -1.35 -0.11 0.00 0.00 0.00 0.00 55.73 54.30 1f98 s ARG 52 Cb -0.02 -1.43 -0.01 0.00 0.00 0.00 0.00 34.95 33.50 1f98 s ARG 52 CO 0.54 0.30 0.20 0.34 0.00 0.00 0.00 175.30 176.69 1f98 s ASP 53 N -2.44 5.82 0.30 0.23 3.68 -1.26 -4.43 116.67 118.57 1f98 s ASP 53 Ca 0.14 -0.55 0.06 0.00 2.13 0.00 0.00 52.55 54.33 1f98 s ASP 53 Cb -0.07 -2.07 0.80 0.00 -1.45 0.00 0.00 42.92 40.12 1f98 s ASP 53 CO 0.06 -0.24 1.69 -0.65 0.13 0.00 0.00 175.17 176.16 1f98 h PRO 54 N 8.43 0.39 0.00 4.34 0.11 -1.89 -0.26 132.00 143.12 1f98 h PRO 54 Ca -0.31 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1f98 h PRO 54 Cb 1.15 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1f98 h PRO 54 CO 0.63 0.26 -0.16 0.87 -0.21 0.00 0.00 178.00 179.40 1f98 h LYS 55 N 0.41 0.00 0.00 1.05 1.79 -1.94 -1.54 116.57 116.34 1f98 h LYS 55 Ca 0.60 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.85 1f98 h LYS 55 Cb 1.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 1f98 h LYS 55 CO -0.54 0.16 -1.12 0.37 -1.08 0.00 0.00 179.45 177.24 1f98 h GLN 56 N 0.00 0.00 0.00 3.15 -0.00 -1.48 -3.39 115.11 113.39 1f98 h GLN 56 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.40 1f98 h GLN 56 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.89 1f98 h GLN 56 CO 0.02 0.81 -2.01 1.33 0.00 0.00 0.00 178.83 178.98 1f98 n VAL 57 N -3.25 1.13 -1.84 2.39 0.24 -0.96 -4.77 118.33 111.26 1f98 n VAL 57 Ca -0.04 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 1f98 n VAL 57 Cb 0.94 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 1f98 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1f98 s ILE 58 N -2.78 2.27 0.00 1.34 1.01 -0.61 -1.26 121.20 121.17 1f98 s ILE 58 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1f98 s ILE 58 Cb 0.08 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1f98 s ILE 58 CO 0.84 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.42 1f98 n GLY 59 N 2.88 1.79 3.92 6.18 0.00 0.11 -4.98 105.19 115.09 1f98 n GLY 59 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1f98 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f98 s LYS 60 N -0.69 3.49 -0.19 1.61 1.02 -0.39 -4.72 119.74 119.87 1f98 s LYS 60 Ca 0.00 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.65 1f98 s LYS 60 Cb 0.00 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1f98 s LYS 60 CO 0.00 -0.05 0.89 1.21 -0.92 0.00 0.00 175.35 176.47 1f98 s ASN 61 N -4.08 6.98 0.25 2.83 3.84 -1.26 -1.13 114.94 122.37 1f98 s ASN 61 Ca 0.44 1.22 -0.04 0.00 0.21 0.00 0.00 52.86 54.69 1f98 s ASN 61 Cb -0.10 -2.48 0.38 0.00 -0.55 0.00 0.00 41.25 38.50 1f98 s ASN 61 CO 0.41 -0.48 1.86 0.15 -2.79 0.00 0.00 177.10 176.25 1f98 h PHE 62 N 7.41 1.08 0.00 0.43 3.57 -1.35 -1.87 116.94 126.21 1f98 h PHE 62 Ca -0.26 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.16 1f98 h PHE 62 Cb 1.11 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1f98 h PHE 62 CO 0.73 0.54 -0.83 0.74 -2.23 0.00 0.00 178.31 177.27 1f98 h PHE 63 N 1.05 0.00 0.00 0.41 -1.00 -1.83 0.79 116.94 116.36 1f98 h PHE 63 Ca 0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1f98 h PHE 63 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1f98 h PHE 63 CO -0.02 0.46 -0.49 1.17 -1.61 0.00 0.00 178.31 177.82 1f98 n LYS 64 N -3.06 0.43 -0.07 1.51 4.81 -1.16 -4.25 118.16 116.37 1f98 n LYS 64 Ca -0.02 0.51 -0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1f98 n LYS 64 Cb 0.75 -1.65 -0.04 0.00 0.02 0.00 0.00 35.03 34.11 1f98 n LYS 64 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1f98 h ASP 65 N -0.95 0.00 0.04 3.14 3.45 -1.52 -3.42 116.42 117.14 1f98 h ASP 65 Ca 0.00 -0.21 -0.34 0.00 0.43 0.00 0.00 57.03 56.91 1f98 h ASP 65 Cb 0.49 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 1f98 h ASP 65 CO 0.00 0.76 -1.93 0.52 -1.57 0.00 0.00 179.24 177.02 1f98 n VAL 66 N -4.67 1.60 -3.15 -1.35 0.31 -1.18 -4.65 118.33 105.24 1f98 n VAL 66 Ca -0.07 -0.36 -0.23 0.00 -0.01 0.00 0.00 64.34 63.67 1f98 n VAL 66 Cb 0.23 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.29 1f98 n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f98 n ALA 67 N -3.45 3.04 0.30 3.52 0.00 0.27 -4.94 120.51 119.25 1f98 n ALA 67 Ca -0.39 -3.91 0.17 0.00 0.00 0.00 0.00 53.44 49.31 1f98 n ALA 67 Cb 0.88 -0.85 0.95 0.00 0.00 0.00 0.00 19.45 20.43 1f98 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f98 h PRO 68 N 3.32 0.00 0.00 0.00 0.13 -1.77 -0.68 132.00 132.99 1f98 h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1f98 h PRO 68 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1f98 h PRO 68 CO 0.62 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1f98 n THR 70 N -1.48 0.00 -2.61 0.00 -2.24 -0.26 -4.77 114.28 102.91 1f98 n THR 70 Ca 0.03 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1f98 n THR 70 Cb 0.13 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1f98 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f98 s ASP 71 N -2.65 6.66 -0.06 3.42 2.15 -0.50 -1.51 116.67 124.18 1f98 s ASP 71 Ca 0.16 -1.94 -0.30 0.00 0.43 0.00 0.00 52.55 50.90 1f98 s ASP 71 Cb 0.18 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.36 1f98 s ASP 71 CO 0.65 -1.31 0.95 -0.94 -0.17 0.00 0.00 175.17 174.35 1f98 s SER 72 N 4.50 -0.34 0.51 -0.34 1.04 -1.26 -4.99 113.70 112.82 1f98 s SER 72 Ca 0.48 0.11 0.23 0.00 0.48 0.00 0.00 55.95 57.25 1f98 s SER 72 Cb 0.01 0.34 1.33 0.00 0.10 0.00 0.00 66.02 67.80 1f98 s SER 72 CO -0.03 -0.51 1.99 -0.65 0.98 0.00 0.00 173.24 175.02 1f98 h PRO 73 N 2.15 0.07 0.00 4.02 0.11 -1.94 -1.49 132.00 134.93 1f98 h PRO 73 Ca -0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1f98 h PRO 73 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1f98 h PRO 73 CO 0.30 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.53 1f98 n GLU 74 N -4.40 0.15 0.00 1.05 4.71 -1.26 -2.94 120.64 117.95 1f98 n GLU 74 Ca 0.10 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1f98 n GLU 74 Cb 0.57 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1f98 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1f98 n PHE 75 N -1.42 0.00 -0.31 -0.32 -0.00 -0.99 -4.73 117.46 109.69 1f98 n PHE 75 Ca 0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.68 1f98 n PHE 75 Cb 0.28 0.19 0.32 0.00 -0.00 0.00 0.00 39.48 40.27 1f98 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1f98 h TYR 76 N 0.00 0.67 -0.94 -5.13 -0.00 -0.63 -1.40 116.97 109.54 1f98 h TYR 76 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 1f98 h TYR 76 Cb 0.00 -0.15 -0.05 0.00 -0.00 0.00 0.00 36.73 36.53 1f98 h TYR 76 CO 0.00 -0.07 0.60 0.78 -0.00 0.00 0.00 178.16 179.47 1f98 h GLY 77 N 0.39 1.34 1.06 1.82 0.00 -1.17 0.00 103.07 106.51 1f98 h GLY 77 Ca 0.58 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1f98 h GLY 77 CO -0.54 0.51 0.04 0.50 0.00 0.00 0.00 176.54 177.05 1f98 h LYS 78 N 1.29 1.03 0.26 4.80 1.57 -1.26 -2.19 116.57 122.08 1f98 h LYS 78 Ca 0.34 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1f98 h LYS 78 Cb -0.11 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1f98 h LYS 78 CO -0.07 1.00 -0.13 0.35 -0.57 0.00 0.00 179.45 180.03 1f98 h PHE 79 N 0.93 -0.33 -0.33 -1.35 3.57 -0.81 -2.37 116.94 116.25 1f98 h PHE 79 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1f98 h PHE 79 Cb 0.51 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1f98 h PHE 79 CO 0.04 -0.16 0.07 1.57 -2.23 0.00 0.00 178.31 177.60 1f98 h LYS 80 N -0.42 0.48 -0.37 1.11 5.09 -0.92 -0.04 116.57 121.50 1f98 h LYS 80 Ca -0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 60.65 60.51 1f98 h LYS 80 Cb 0.32 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.55 1f98 h LYS 80 CO 0.06 0.46 -0.25 1.49 -2.09 0.00 0.00 179.45 179.12 1f98 h GLU 81 N 0.48 0.75 -0.44 0.07 4.57 -1.32 -1.35 114.58 117.34 1f98 h GLU 81 Ca 0.11 -0.31 -0.14 0.00 -1.18 0.00 0.00 59.36 57.84 1f98 h GLU 81 Cb 0.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1f98 h GLU 81 CO -0.00 0.92 -0.27 0.78 -1.18 0.00 0.00 179.01 179.26 1f98 h GLY 82 N 0.96 1.05 0.94 1.92 0.00 -0.73 -1.88 103.07 105.34 1f98 h GLY 82 Ca 0.09 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.44 1f98 h GLY 82 CO 0.06 0.89 0.20 -2.08 0.00 0.00 0.00 176.54 175.62 1f98 h VAL 83 N 0.81 1.05 -0.58 4.60 2.07 -0.88 -0.55 116.25 122.76 1f98 h VAL 83 Ca 0.09 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1f98 h VAL 83 Cb 0.86 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1f98 h VAL 83 CO 0.08 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.72 1f98 h ALA 84 N 1.14 0.86 0.00 1.67 0.00 -1.03 -3.08 119.26 118.83 1f98 h ALA 84 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1f98 h ALA 84 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1f98 h ALA 84 CO -0.05 0.66 -1.07 -1.13 0.00 0.00 0.00 179.25 177.65 1f98 n SER 85 N -4.17 0.63 0.00 0.00 3.41 -0.73 -4.95 113.62 107.81 1f98 n SER 85 Ca 0.03 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1f98 n SER 85 Cb 0.35 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1f98 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f98 n GLY 86 N 1.29 0.76 3.08 5.00 0.00 -0.23 -5.01 105.19 110.09 1f98 n GLY 86 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1f98 n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f98 s ASN 87 N -2.53 4.66 -0.13 1.61 0.01 -1.15 -5.01 114.94 112.41 1f98 s ASN 87 Ca 0.00 -1.58 -0.04 0.00 -0.71 0.00 0.00 52.86 50.53 1f98 s ASN 87 Cb 0.00 -1.62 0.05 0.00 0.41 0.00 0.00 41.25 40.09 1f98 s ASN 87 CO 0.00 -0.27 0.07 -0.22 -1.51 0.00 0.00 177.10 175.17 1f98 s LEU 88 N 1.09 0.37 -0.37 0.60 2.96 -1.26 -4.26 118.68 117.81 1f98 s LEU 88 Ca -0.03 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1f98 s LEU 88 Cb -0.20 -0.25 0.18 0.00 0.50 0.00 0.00 46.19 46.42 1f98 s LEU 88 CO -0.05 -0.31 0.83 0.21 -1.32 0.00 0.00 176.35 175.71 1f98 s ASN 89 N 2.11 -0.98 -0.09 3.68 2.47 -1.21 -1.37 114.94 119.56 1f98 s ASN 89 Ca 0.03 -0.54 -0.17 0.00 0.42 0.00 0.00 52.86 52.61 1f98 s ASN 89 Cb -0.15 1.25 0.04 0.00 -1.45 0.00 0.00 41.25 40.94 1f98 s ASN 89 CO -0.07 -0.10 0.41 0.28 -3.72 0.00 0.00 177.10 173.89 1f98 s THR 90 N 1.84 0.02 0.12 -5.21 -1.32 -0.44 -5.01 115.64 105.64 1f98 s THR 90 Ca 0.16 -0.20 0.10 0.00 -1.21 0.00 0.00 61.69 60.54 1f98 s THR 90 Cb -0.00 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1f98 s THR 90 CO -0.10 -0.11 -0.24 -0.04 -2.21 0.00 0.00 174.62 171.91 1f98 s MET 91 N -0.58 1.28 0.13 7.08 -1.94 -1.26 -0.94 119.30 123.07 1f98 s MET 91 Ca -0.07 -1.27 -0.25 0.00 -1.71 0.00 0.00 55.69 52.40 1f98 s MET 91 Cb -0.04 -1.68 0.07 0.00 2.01 0.00 0.00 34.83 35.20 1f98 s MET 91 CO 0.03 0.39 0.74 -0.59 -0.01 0.00 0.00 175.02 175.59 1f98 s PHE 92 N -1.10 -0.38 0.24 -0.03 -0.12 -0.51 -5.00 117.98 111.07 1f98 s PHE 92 Ca 0.11 0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 57.02 1f98 s PHE 92 Cb -0.10 0.59 -0.08 0.00 -0.63 0.00 0.00 43.02 42.80 1f98 s PHE 92 CO 0.05 -0.82 0.60 -1.21 -0.05 0.00 0.00 175.22 173.79 1f98 s GLU 93 N -3.54 3.88 0.16 1.99 2.02 -1.26 -0.57 118.70 121.39 1f98 s GLU 93 Ca 0.05 0.41 -0.13 0.00 0.02 0.00 0.00 54.97 55.32 1f98 s GLU 93 Cb -0.02 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1f98 s GLU 93 CO -0.07 0.30 0.38 -0.47 0.02 0.00 0.00 175.26 175.42 1f98 s TYR 94 N -1.81 0.10 -0.18 1.61 6.14 -0.50 -4.94 117.35 117.77 1f98 s TYR 94 Ca 0.48 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.74 1f98 s TYR 94 Cb -0.11 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.43 1f98 s TYR 94 CO 0.20 -0.78 -0.16 0.99 0.64 0.00 0.00 175.55 176.44 1f98 s THR 95 N -3.90 2.44 -0.26 4.34 2.01 -1.26 -0.81 115.64 118.20 1f98 s THR 95 Ca 0.11 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 1f98 s THR 95 Cb 0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1f98 s THR 95 CO -0.04 0.51 0.37 -0.36 -0.69 0.00 0.00 174.62 174.42 1f98 s PHE 96 N 1.14 3.26 0.00 4.92 2.99 -0.55 -4.92 117.98 124.83 1f98 s PHE 96 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 56.93 57.36 1f98 s PHE 96 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 43.02 40.32 1f98 s PHE 96 CO -0.07 -0.21 0.68 -0.40 -0.00 0.00 0.00 175.22 175.23 1f98 n ASP 97 N 5.25 0.00 -4.56 1.36 5.68 -1.26 -1.22 116.55 121.80 1f98 n ASP 97 Ca -0.09 -1.45 -0.40 0.00 -0.50 0.00 0.00 54.79 52.36 1f98 n ASP 97 Cb 0.51 -0.09 -0.10 0.00 -1.14 0.00 0.00 41.12 40.30 1f98 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1f98 s TYR 98 N 0.00 3.22 -1.41 2.11 6.04 -1.26 -4.44 117.35 121.62 1f98 s TYR 98 Ca 0.00 0.04 -0.10 0.00 0.04 0.00 0.00 57.07 57.05 1f98 s TYR 98 Cb 0.00 -2.54 0.03 0.00 -1.04 0.00 0.00 41.96 38.41 1f98 s TYR 98 CO 0.00 -0.32 1.11 1.04 -1.54 0.00 0.00 175.55 175.84 1f98 n GLN 99 N 5.24 -7.10 -3.53 4.97 6.02 -1.26 -4.97 117.38 116.74 1f98 n GLN 99 Ca -0.11 0.75 -0.08 0.00 -0.01 0.00 0.00 57.00 57.55 1f98 n GLN 99 Cb 0.50 -5.75 -0.02 0.00 1.02 0.00 0.00 30.24 26.00 1f98 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f98 s MET 100 N -6.36 1.00 0.28 -1.09 0.23 -1.26 -4.89 119.30 107.21 1f98 s MET 100 Ca 0.57 -0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 54.52 1f98 s MET 100 Cb -0.27 0.43 -0.11 0.00 -1.53 0.00 0.00 34.83 33.35 1f98 s MET 100 CO 0.76 -0.44 1.61 0.99 -2.03 0.00 0.00 175.02 175.91 1f98 s THR 101 N -3.30 2.04 0.03 3.16 2.01 -1.26 -4.76 115.64 113.55 1f98 s THR 101 Ca 0.05 0.03 -0.35 0.00 0.31 0.00 0.00 61.69 61.74 1f98 s THR 101 Cb -0.01 -3.02 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 1f98 s THR 101 CO -0.08 0.01 1.64 -2.65 -0.69 0.00 0.00 174.62 172.85 1f98 n PRO 102 N 2.37 1.86 -3.80 4.92 -0.02 -1.26 -4.74 135.00 134.34 1f98 n PRO 102 Ca 0.09 0.68 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1f98 n PRO 102 Cb 0.37 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 1f98 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f98 s THR 103 N 2.04 0.54 0.10 3.45 2.01 -0.36 -4.98 115.64 118.44 1f98 s THR 103 Ca 0.86 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 1f98 s THR 103 Cb -0.78 -0.72 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 1f98 s THR 103 CO 0.47 0.22 1.15 -0.75 -0.69 0.00 0.00 174.62 175.01 1f98 s LYS 104 N 1.90 4.49 0.11 4.92 2.20 -1.26 -1.48 119.74 130.62 1f98 s LYS 104 Ca 0.04 1.73 0.04 0.00 -0.36 0.00 0.00 55.97 57.43 1f98 s LYS 104 Cb -0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1f98 s LYS 104 CO -0.06 -0.13 -0.11 0.14 -0.36 0.00 0.00 175.35 174.83 1f98 s VAL 105 N 0.60 1.05 -0.19 4.02 -7.23 0.01 -2.85 120.40 115.81 1f98 s VAL 105 Ca 0.55 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 1f98 s VAL 105 Cb -0.29 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1f98 s VAL 105 CO 0.31 -0.58 0.25 -0.75 -0.31 0.00 0.00 175.10 174.02 1f98 s LYS 106 N -2.99 4.20 -0.07 4.82 2.20 0.07 -1.40 119.74 126.57 1f98 s LYS 106 Ca 0.08 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.70 1f98 s LYS 106 Cb -0.02 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1f98 s LYS 106 CO 0.01 0.18 -0.16 0.08 -0.36 0.00 0.00 175.35 175.09 1f98 s VAL 107 N 0.68 2.86 -0.18 4.02 1.01 0.27 -1.54 120.40 127.51 1f98 s VAL 107 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1f98 s VAL 107 Cb -0.13 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1f98 s VAL 107 CO 0.03 0.57 -0.08 -2.28 0.00 0.00 0.00 175.10 173.35 1f98 s HIS 108 N -0.41 2.04 -0.14 5.22 2.46 -0.20 -1.43 115.29 122.84 1f98 s HIS 108 Ca 0.04 -1.31 -0.12 0.00 0.47 0.00 0.00 55.06 54.14 1f98 s HIS 108 Cb -0.12 -1.47 -0.05 0.00 -0.13 0.00 0.00 32.58 30.81 1f98 s HIS 108 CO 0.02 -0.67 0.26 -1.64 -2.47 0.00 0.00 174.74 170.23 1f98 s MET 109 N 1.52 4.06 -0.17 2.88 -1.94 -0.12 -0.69 119.30 124.85 1f98 s MET 109 Ca 0.00 0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 53.92 1f98 s MET 109 Cb -0.16 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.38 1f98 s MET 109 CO -0.08 0.40 0.42 0.21 -0.01 0.00 0.00 175.02 175.96 1f98 s LYS 110 N -0.01 0.44 0.38 2.03 2.20 -0.51 -1.33 119.74 122.93 1f98 s LYS 110 Ca 0.16 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 56.20 1f98 s LYS 110 Cb -0.13 0.09 -0.11 0.00 -1.51 0.00 0.00 37.83 36.17 1f98 s LYS 110 CO 0.04 -0.12 1.48 0.21 -0.36 0.00 0.00 175.35 176.61 1f98 s LYS 111 N 0.91 4.08 0.81 4.03 2.20 -0.47 -0.39 119.74 130.91 1f98 s LYS 111 Ca -0.06 2.55 -0.11 0.00 -0.36 0.00 0.00 55.97 57.99 1f98 s LYS 111 Cb -0.06 -2.95 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 1f98 s LYS 111 CO -0.07 -0.55 1.10 0.00 -0.36 0.00 0.00 175.35 175.47 1f98 s ALA 112 N -1.13 2.18 0.25 3.13 0.00 -0.55 -4.77 121.76 120.87 1f98 s ALA 112 Ca 0.53 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1f98 s ALA 112 Cb -0.46 -3.11 0.50 0.00 0.00 0.00 0.00 23.12 20.04 1f98 s ALA 112 CO 0.62 -1.80 1.67 1.25 0.00 0.00 0.00 175.76 177.51 1f98 h LEU 113 N -1.14 -0.07-10.27 0.00 5.85 -1.87 -3.40 115.31 104.41 1f98 h LEU 113 Ca -0.47 0.17 -0.50 0.00 0.84 0.00 0.00 57.88 57.91 1f98 h LEU 113 Cb 1.27 0.24 0.07 0.00 0.37 0.00 0.00 40.66 42.61 1f98 h LEU 113 CO 0.59 -0.09 0.38 -0.94 -0.34 0.00 0.00 178.44 178.04 1f98 s SER 114 N -5.20 5.72 -0.25 1.25 1.04 -1.26 -4.92 113.70 110.07 1f98 s SER 114 Ca -0.13 1.67 0.13 0.00 0.48 0.00 0.00 55.95 58.11 1f98 s SER 114 Cb 0.22 -2.51 0.65 0.00 0.10 0.00 0.00 66.02 64.48 1f98 s SER 114 CO 0.76 -1.21 1.61 0.61 0.98 0.00 0.00 173.24 175.98 1f98 n GLY 115 N -1.62 3.86 0.06 7.32 0.00 -1.26 -3.96 105.19 109.59 1f98 n GLY 115 Ca 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 45.09 1f98 n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f98 n ASP 116 N -0.29 1.54 -3.99 1.61 3.85 -1.26 -5.01 116.55 113.01 1f98 n ASP 116 Ca 0.30 -2.09 -0.08 0.00 -0.71 0.00 0.00 54.79 52.21 1f98 n ASP 116 Cb 1.12 -0.13 -0.09 0.00 -1.35 0.00 0.00 41.12 40.68 1f98 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1f98 s SER 117 N -1.29 0.31 -0.07 -1.12 1.04 -1.25 -4.03 113.70 107.28 1f98 s SER 117 Ca 0.08 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 1f98 s SER 117 Cb 0.07 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1f98 s SER 117 CO 0.01 -0.59 0.16 -0.31 0.98 0.00 0.00 173.24 173.49 1f98 s TYR 118 N -3.44 -0.19 0.06 5.02 2.02 -0.20 -1.48 117.35 119.13 1f98 s TYR 118 Ca 0.02 0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 57.19 1f98 s TYR 118 Cb 0.04 -0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1f98 s TYR 118 CO -0.08 -0.18 0.35 -1.58 -1.57 0.00 0.00 175.55 172.48 1f98 s TRP 119 N 1.24 3.57 -0.24 2.71 0.52 0.48 -0.52 118.94 126.71 1f98 s TRP 119 Ca -0.09 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.74 1f98 s TRP 119 Cb -0.11 -2.08 0.06 0.00 -1.15 0.00 0.00 33.47 30.18 1f98 s TRP 119 CO -0.06 0.55 -0.09 0.08 0.02 0.00 0.00 176.95 177.44 1f98 s VAL 120 N -1.38 1.83 -0.02 4.03 1.01 0.13 -1.43 120.40 124.56 1f98 s VAL 120 Ca 0.32 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1f98 s VAL 120 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1f98 s VAL 120 CO 0.18 -0.01 0.09 -0.36 0.00 0.00 0.00 175.10 175.00 1f98 s PHE 121 N 1.27 3.33 -0.02 5.22 0.40 0.13 -1.13 117.98 127.19 1f98 s PHE 121 Ca -0.06 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1f98 s PHE 121 Cb -0.19 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.59 1f98 s PHE 121 CO -0.06 0.57 0.01 0.08 0.70 0.00 0.00 175.22 176.52 1f98 s VAL 122 N -1.16 0.05 0.06 -0.44 1.01 -0.34 -1.03 120.40 118.55 1f98 s VAL 122 Ca 0.22 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 1f98 s VAL 122 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1f98 s VAL 122 CO 0.12 0.08 -0.04 -1.59 0.00 0.00 0.00 175.10 173.67 1f98 s LYS 123 N 0.65 0.65 0.46 2.72 -2.85 -0.59 -0.57 119.74 120.21 1f98 s LYS 123 Ca -0.06 -1.21 -0.23 0.00 -1.00 0.00 0.00 55.97 53.47 1f98 s LYS 123 Cb -0.08 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 1f98 s LYS 123 CO -0.02 -0.08 1.15 1.03 0.10 0.00 0.00 175.35 177.54 1f98 s ARG 124 N -3.74 3.76 0.00 1.78 0.52 -1.26 -0.75 118.95 119.26 1f98 s ARG 124 Ca 0.07 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 1f98 s ARG 124 Cb 0.06 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.15 1f98 s ARG 124 CO -0.08 -0.54 0.24 1.33 0.02 0.00 0.00 175.30 176.27