#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9i s GLU 2 N 0.00 4.44 -1.16 0.03 0.41 0.12 -4.99 118.70 117.55 1f9i s GLU 2 Ca 0.00 1.91 -0.11 0.00 -0.41 0.00 0.00 54.97 56.36 1f9i s GLU 2 Cb 0.00 -3.26 0.24 0.00 -1.78 0.00 0.00 34.13 29.33 1f9i s GLU 2 CO 0.00 -0.20 1.29 0.72 -0.49 0.00 0.00 175.26 176.58 1f9i n HIS 3 N 3.02 4.94 -3.76 1.61 8.25 -1.26 -4.49 115.22 123.52 1f9i n HIS 3 Ca 0.07 -3.60 -0.13 0.00 -0.26 0.00 0.00 57.72 53.80 1f9i n HIS 3 Cb 0.44 -1.88 -0.11 0.00 1.12 0.00 0.00 29.99 29.57 1f9i n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1f9i s VAL 4 N -0.23 -0.00 0.07 1.59 0.11 -1.26 -5.16 120.40 115.52 1f9i s VAL 4 Ca 0.36 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1f9i s VAL 4 Cb -0.06 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.29 1f9i s VAL 4 CO -0.04 0.00 0.41 0.00 -3.33 0.00 0.00 175.10 172.14 1f9i s ALA 5 N 0.19 3.71 0.13 1.54 0.00 -1.26 -4.64 121.76 121.43 1f9i s ALA 5 Ca -0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 51.96 51.28 1f9i s ALA 5 Cb -0.02 -2.31 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 1f9i s ALA 5 CO 0.00 0.54 1.53 0.34 0.00 0.00 0.00 175.76 178.17 1f9i n PHE 6 N 1.10 2.08 -0.91 0.00 7.35 -1.26 -1.84 117.46 123.97 1f9i n PHE 6 Ca -0.09 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1f9i n PHE 6 Cb 0.52 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1f9i n PHE 6 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1f9i n GLY 7 N 3.24 0.62 3.67 7.13 0.00 -1.26 -5.02 105.19 113.57 1f9i n GLY 7 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1f9i n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f9i n SER 8 N 0.00 2.52 -0.22 1.61 7.64 -0.77 -4.88 113.62 119.52 1f9i n SER 8 Ca 0.00 1.17 0.07 0.00 1.01 0.00 0.00 58.87 61.12 1f9i n SER 8 Cb 0.00 -1.42 0.33 0.00 -1.01 0.00 0.00 64.21 62.11 1f9i n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1f9i h GLU 9 N 3.31 0.78 -0.41 1.43 4.57 -1.95 -2.30 114.58 120.01 1f9i h GLU 9 Ca -0.45 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.46 1f9i h GLU 9 Cb 1.29 -0.18 -0.14 0.00 -0.16 0.00 0.00 28.75 29.57 1f9i h GLU 9 CO 0.69 0.52 -0.08 -0.40 -1.18 0.00 0.00 179.01 178.55 1f9i n ASP 10 N -4.50 2.75 0.00 1.04 3.85 -1.26 -4.75 116.55 113.68 1f9i n ASP 10 Ca 0.13 -3.80 0.12 0.00 -0.71 0.00 0.00 54.79 50.53 1f9i n ASP 10 Cb 0.27 -0.64 0.56 0.00 -1.35 0.00 0.00 41.12 39.95 1f9i n ASP 10 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1f9i h ILE 11 N 1.06 0.90 0.00 2.12 2.10 -1.78 -0.33 117.51 121.58 1f9i h ILE 11 Ca 0.25 -0.09 -0.06 0.00 1.08 0.00 0.00 64.86 66.05 1f9i h ILE 11 Cb 1.66 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1f9i h ILE 11 CO 0.46 0.05 -0.27 1.05 -1.08 0.00 0.00 178.15 178.37 1f9i h GLU 12 N 0.27 0.00 -0.02 2.19 9.09 -1.86 -1.20 114.58 123.05 1f9i h GLU 12 Ca 0.21 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.51 1f9i h GLU 12 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.60 1f9i h GLU 12 CO -0.04 0.27 -0.43 -0.91 0.05 0.00 0.00 179.01 177.95 1f9i h ASN 13 N 0.00 0.41 -0.70 3.06 4.21 -1.45 -2.94 115.58 118.17 1f9i h ASN 13 Ca -0.00 -0.73 -0.04 0.00 1.21 0.00 0.00 56.30 56.74 1f9i h ASN 13 Cb 0.59 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.63 1f9i h ASN 13 CO 0.03 1.09 0.30 0.74 -1.29 0.00 0.00 177.43 178.30 1f9i h THR 14 N -0.22 1.24 -0.00 2.81 2.02 -1.11 -2.55 112.91 115.09 1f9i h THR 14 Ca -0.05 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1f9i h THR 14 Cb 1.13 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1f9i h THR 14 CO 0.08 0.30 -0.09 0.18 0.37 0.00 0.00 175.52 176.36 1f9i n LEU 15 N -4.39 0.14 0.31 2.58 4.32 -0.49 -3.26 117.00 116.20 1f9i n LEU 15 Ca 0.05 0.31 0.21 0.00 -0.02 0.00 0.00 56.01 56.56 1f9i n LEU 15 Cb 0.16 -0.37 1.03 0.00 -1.62 0.00 0.00 43.42 42.62 1f9i n LEU 15 CO 0.39 0.03 1.11 0.00 -1.22 0.00 0.00 177.39 177.71 1f9i h ALA 16 N 3.19 1.00 -0.07 -1.18 0.00 -1.26 -2.60 119.26 118.34 1f9i h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f9i h ALA 16 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f9i h ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1f9i n LYS 17 N -3.04 1.72 -3.64 0.00 2.85 -1.20 -4.90 118.16 109.95 1f9i n LYS 17 Ca -0.02 -1.05 -0.38 0.00 -1.05 0.00 0.00 58.31 55.81 1f9i n LYS 17 Cb 0.14 -1.45 -0.11 0.00 -0.65 0.00 0.00 35.03 32.96 1f9i n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1f9i s MET 18 N -1.92 3.86 1.05 -1.58 -1.94 -0.98 -5.03 119.30 112.75 1f9i s MET 18 Ca 0.36 -0.37 -0.16 0.00 -1.71 0.00 0.00 55.69 53.81 1f9i s MET 18 Cb 0.20 -3.56 0.22 0.00 2.01 0.00 0.00 34.83 33.70 1f9i s MET 18 CO 0.31 -0.18 1.16 0.16 -0.01 0.00 0.00 175.02 176.45 1f9i s ASP 19 N 1.72 2.24 0.25 3.03 1.47 -1.26 -4.74 116.67 119.37 1f9i s ASP 19 Ca 0.07 0.72 -0.04 0.00 1.18 0.00 0.00 52.55 54.49 1f9i s ASP 19 Cb -0.16 -1.08 0.45 0.00 -0.34 0.00 0.00 42.92 41.79 1f9i s ASP 19 CO 0.09 -3.32 1.77 0.44 0.68 0.00 0.00 175.17 174.83 1f9i h ASP 20 N -2.03 0.49 -0.74 2.11 3.45 -1.99 -0.90 116.42 116.82 1f9i h ASP 20 Ca -0.48 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.03 1f9i h ASP 20 Cb 1.30 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.04 1f9i h ASP 20 CO 0.46 0.24 0.32 1.23 -1.57 0.00 0.00 179.24 179.91 1f9i h GLY 21 N 0.61 1.16 1.50 2.75 0.00 -1.99 -1.74 103.07 105.36 1f9i h GLY 21 Ca 0.41 -0.61 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1f9i h GLY 21 CO -0.33 0.58 -0.80 1.46 0.00 0.00 0.00 176.54 177.45 1f9i h GLN 22 N 1.05 0.48 -0.35 4.80 4.20 -1.73 -2.93 115.11 120.63 1f9i h GLN 22 Ca 0.25 -0.42 0.04 0.00 0.06 0.00 0.00 58.65 58.57 1f9i h GLN 22 Cb 0.17 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1f9i h GLN 22 CO -0.03 1.06 0.24 -0.07 -0.67 0.00 0.00 178.83 179.37 1f9i h LEU 23 N 0.31 0.28 -1.07 1.46 3.38 -0.87 0.43 115.31 119.23 1f9i h LEU 23 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1f9i h LEU 23 Cb 1.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1f9i h LEU 23 CO 0.14 0.19 0.00 0.47 0.09 0.00 0.00 178.44 179.33 1f9i n ASP 24 N -4.48 0.63 -0.36 -0.43 8.00 -0.68 -1.99 116.55 117.23 1f9i n ASP 24 Ca 0.04 0.72 0.14 0.00 0.71 0.00 0.00 54.79 56.40 1f9i n ASP 24 Cb 0.19 -0.83 0.62 0.00 -0.02 0.00 0.00 41.12 41.08 1f9i n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f9i n GLY 25 N -0.62 -0.24 3.79 0.44 0.00 0.14 -4.58 105.19 104.12 1f9i n GLY 25 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1f9i n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f9i s LEU 26 N -1.97 3.51 0.00 0.99 1.43 -0.84 -0.70 118.68 121.09 1f9i s LEU 26 Ca 0.40 1.90 0.24 0.00 -1.03 0.00 0.00 54.13 55.65 1f9i s LEU 26 Cb 0.21 -4.54 1.18 0.00 0.03 0.00 0.00 46.19 43.07 1f9i s LEU 26 CO 0.34 -1.27 1.81 0.00 0.23 0.00 0.00 176.35 177.46 1f9i n ALA 27 N -2.00 2.20 -2.18 4.21 0.00 -1.26 -4.71 120.51 116.77 1f9i n ALA 27 Ca 0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1f9i n ALA 27 Cb 0.52 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1f9i n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1f9i s PHE 28 N -2.69 0.95 0.32 0.00 -0.12 -1.26 -5.04 117.98 110.13 1f9i s PHE 28 Ca 0.20 -1.05 -0.29 0.00 -0.05 0.00 0.00 56.93 55.74 1f9i s PHE 28 Cb 0.16 -0.55 -0.10 0.00 -0.63 0.00 0.00 43.02 41.90 1f9i s PHE 28 CO 0.39 -0.29 1.26 0.20 -0.05 0.00 0.00 175.22 176.73 1f9i s GLY 29 N -3.07 2.99 -0.05 1.99 0.00 0.54 -4.57 107.32 105.16 1f9i s GLY 29 Ca 0.18 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 46.07 1f9i s GLY 29 CO -0.01 1.83 0.09 0.00 0.00 0.00 0.00 173.10 175.01 1f9i s ALA 30 N -1.10 0.04 -0.09 3.20 0.00 -1.26 -1.06 121.76 121.49 1f9i s ALA 30 Ca 0.48 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1f9i s ALA 30 Cb -0.38 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1f9i s ALA 30 CO 0.50 -0.37 -0.19 0.42 0.00 0.00 0.00 175.76 176.11 1f9i s ILE 31 N 1.81 1.69 -0.15 0.00 1.01 -0.02 -1.44 121.20 124.10 1f9i s ILE 31 Ca -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1f9i s ILE 31 Cb -0.12 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1f9i s ILE 31 CO -0.04 0.48 -0.01 -1.58 0.00 0.00 0.00 174.94 173.79 1f9i s GLN 32 N 0.47 3.60 0.05 2.79 0.74 -0.22 -0.42 119.66 126.68 1f9i s GLN 32 Ca -0.17 -0.46 0.09 0.00 0.05 0.00 0.00 55.36 54.88 1f9i s GLN 32 Cb -0.17 -2.96 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 1f9i s GLN 32 CO 0.07 0.35 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.39 1f9i s LEU 33 N 0.10 2.22 1.05 3.68 1.43 0.53 0.10 118.68 127.78 1f9i s LEU 33 Ca 0.01 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 1f9i s LEU 33 Cb -0.13 -1.30 0.24 0.00 0.03 0.00 0.00 46.19 45.03 1f9i s LEU 33 CO 0.02 0.25 1.29 1.51 0.23 0.00 0.00 176.35 179.66 1f9i s ASP 34 N -1.33 2.34 0.34 2.29 1.47 -0.13 -0.55 116.67 121.09 1f9i s ASP 34 Ca 0.12 0.26 0.26 0.00 1.18 0.00 0.00 52.55 54.37 1f9i s ASP 34 Cb -0.10 -0.27 1.17 0.00 -0.34 0.00 0.00 42.92 43.38 1f9i s ASP 34 CO 0.03 -3.22 1.78 1.23 0.68 0.00 0.00 175.17 175.68 1f9i h GLY 35 N -1.97 0.00 0.46 2.12 0.00 -1.91 -1.04 103.07 100.73 1f9i h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1f9i h GLY 35 CO 0.32 0.00 -0.45 1.22 0.00 0.00 0.00 176.54 177.63 1f9i n ASP 36 N -2.43 0.87 0.00 0.19 10.43 -1.26 -4.95 116.55 119.40 1f9i n ASP 36 Ca 0.01 -0.67 0.00 0.00 2.57 0.00 0.00 54.79 56.70 1f9i n ASP 36 Cb 0.19 0.29 0.00 0.00 1.84 0.00 0.00 41.12 43.45 1f9i n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1f9i n GLY 37 N 1.43 0.82 3.76 0.44 0.00 -0.39 -4.90 105.19 106.35 1f9i n GLY 37 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1f9i n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f9i s ASN 38 N -2.30 7.35 -0.25 1.61 0.01 -1.26 -0.71 114.94 119.39 1f9i s ASN 38 Ca 0.00 2.19 -0.26 0.00 -0.71 0.00 0.00 52.86 54.08 1f9i s ASN 38 Cb 0.00 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1f9i s ASN 38 CO 0.00 -0.08 0.92 -0.63 -1.51 0.00 0.00 177.10 175.80 1f9i s ILE 39 N -1.11 4.75 -0.19 0.60 1.01 -0.12 -0.96 121.20 125.18 1f9i s ILE 39 Ca 0.44 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.83 1f9i s ILE 39 Cb -0.31 -4.21 -0.22 0.00 0.01 0.00 0.00 42.46 37.74 1f9i s ILE 39 CO 0.39 -0.17 0.07 0.18 0.00 0.00 0.00 174.94 175.41 1f9i n LEU 40 N 6.21 2.00 -3.86 2.97 4.77 0.11 -0.44 117.00 128.77 1f9i n LEU 40 Ca 0.08 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1f9i n LEU 40 Cb 0.47 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1f9i n LEU 40 CO 0.50 0.76 -0.15 -1.10 -1.33 0.00 0.00 177.39 176.07 1f9i s GLN 41 N -2.53 0.49 -0.28 3.23 -1.52 -1.08 -4.92 119.66 113.06 1f9i s GLN 41 Ca -0.23 -0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 52.77 1f9i s GLN 41 Cb 0.08 0.21 0.15 0.00 -0.22 0.00 0.00 33.01 33.22 1f9i s GLN 41 CO 0.72 -0.12 0.56 0.12 -0.25 0.00 0.00 175.29 176.31 1f9i s PHE 42 N -1.33 -1.29 0.64 0.91 2.19 -1.26 -1.05 117.98 116.79 1f9i s PHE 42 Ca -0.14 1.78 0.01 0.00 0.33 0.00 0.00 56.93 58.91 1f9i s PHE 42 Cb -0.07 0.54 0.09 0.00 -1.31 0.00 0.00 43.02 42.26 1f9i s PHE 42 CO 0.02 -0.72 0.89 0.54 1.83 0.00 0.00 175.22 177.77 1f9i s ASN 43 N 2.79 4.79 0.25 6.13 4.22 -0.52 -4.71 114.94 127.89 1f9i s ASN 43 Ca 0.07 -0.28 -0.02 0.00 -2.14 0.00 0.00 52.86 50.50 1f9i s ASN 43 Cb -0.14 -0.32 0.31 0.00 1.28 0.00 0.00 41.25 42.38 1f9i s ASN 43 CO -0.18 -1.53 1.71 0.00 -2.04 0.00 0.00 177.10 175.06 1f9i h ALA 44 N -0.22 1.04 -0.58 3.54 0.00 -1.83 -2.05 119.26 119.16 1f9i h ALA 44 Ca -0.38 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1f9i h ALA 44 Cb 1.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1f9i h ALA 44 CO 0.45 0.58 0.15 0.00 0.00 0.00 0.00 179.25 180.44 1f9i h ALA 45 N 1.21 1.19 -0.30 0.00 0.00 -1.82 -0.77 119.26 118.77 1f9i h ALA 45 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1f9i h ALA 45 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1f9i h ALA 45 CO 0.04 0.56 0.09 1.49 0.00 0.00 0.00 179.25 181.43 1f9i h GLU 46 N 0.85 0.46 -0.39 0.00 4.57 -1.70 -1.85 114.58 116.52 1f9i h GLU 46 Ca 0.19 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1f9i h GLU 46 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1f9i h GLU 46 CO -0.00 0.51 0.26 0.78 -1.18 0.00 0.00 179.01 179.38 1f9i h GLY 47 N 0.32 0.32 1.57 1.92 0.00 -0.78 -0.69 103.07 105.73 1f9i h GLY 47 Ca 0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1f9i h GLY 47 CO -0.00 0.08 -0.56 -0.55 0.00 0.00 0.00 176.54 175.51 1f9i h ASP 48 N 0.26 0.50 -0.19 0.19 3.32 -0.62 0.32 116.42 120.19 1f9i h ASP 48 Ca 0.17 -0.27 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1f9i h ASP 48 Cb 0.35 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1f9i h ASP 48 CO -0.03 0.95 -0.47 0.40 -1.72 0.00 0.00 179.24 178.37 1f9i h ILE 49 N 0.34 1.32 -0.00 0.35 2.04 -0.42 -3.37 117.51 117.78 1f9i h ILE 49 Ca 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1f9i h ILE 49 Cb 1.08 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1f9i h ILE 49 CO 0.10 0.53 -0.36 0.35 0.00 0.00 0.00 178.15 178.76 1f9i n THR 50 N -4.18 0.00 -0.17 -0.27 -2.24 -0.39 -5.01 114.28 102.02 1f9i n THR 50 Ca -0.06 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1f9i n THR 50 Cb 0.58 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1f9i n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f9i n GLY 51 N 1.15 1.50 3.79 3.38 0.00 0.11 -5.01 105.19 110.12 1f9i n GLY 51 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1f9i n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f9i s ARG 52 N -0.41 3.90 -0.27 1.61 3.00 -1.24 -4.98 118.95 120.57 1f9i s ARG 52 Ca 0.00 1.41 -0.18 0.00 0.00 0.00 0.00 55.73 56.96 1f9i s ARG 52 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 34.95 32.71 1f9i s ARG 52 CO 0.00 -0.36 0.52 0.34 0.00 0.00 0.00 175.30 175.81 1f9i s ASP 53 N -1.86 6.43 0.22 0.23 3.68 -1.26 -4.30 116.67 119.82 1f9i s ASP 53 Ca 0.65 0.50 -0.09 0.00 2.13 0.00 0.00 52.55 55.73 1f9i s ASP 53 Cb -0.18 -2.28 0.35 0.00 -1.45 0.00 0.00 42.92 39.36 1f9i s ASP 53 CO 0.22 -0.31 1.66 -0.65 0.13 0.00 0.00 175.17 176.22 1f9i h PRO 54 N 8.04 0.13 0.00 4.34 0.11 -1.89 0.53 132.00 143.26 1f9i h PRO 54 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1f9i h PRO 54 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1f9i h PRO 54 CO 0.72 0.08 0.00 1.63 -0.21 0.00 0.00 178.00 180.23 1f9i n LYS 55 N -5.28 0.21 0.13 1.05 4.76 -1.26 -1.76 118.16 116.01 1f9i n LYS 55 Ca 0.11 0.42 0.12 0.00 -2.87 0.00 0.00 58.31 56.08 1f9i n LYS 55 Cb 0.39 -1.89 0.11 0.00 -1.84 0.00 0.00 35.03 31.80 1f9i n LYS 55 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1f9i h GLN 56 N 0.00 0.00 0.00 1.97 4.20 -1.31 -3.36 115.11 116.61 1f9i h GLN 56 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1f9i h GLN 56 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1f9i h GLN 56 CO 0.00 0.00 -1.77 1.33 -0.67 0.00 0.00 178.83 177.72 1f9i n VAL 57 N -2.65 0.02 -1.84 -0.54 0.24 -0.74 -4.84 118.33 107.98 1f9i n VAL 57 Ca 0.02 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 1f9i n VAL 57 Cb 0.51 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 1f9i n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1f9i s ILE 58 N -3.15 2.31 0.00 1.34 1.01 -0.73 -1.14 121.20 120.85 1f9i s ILE 58 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1f9i s ILE 58 Cb 0.11 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1f9i s ILE 58 CO 0.69 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1f9i n GLY 59 N 3.50 1.64 3.91 6.18 0.00 0.42 -4.98 105.19 115.86 1f9i n GLY 59 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1f9i n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f9i s LYS 60 N -0.78 3.37 -0.16 1.61 1.02 -0.29 -4.71 119.74 119.80 1f9i s LYS 60 Ca 0.00 0.12 -0.21 0.00 0.02 0.00 0.00 55.97 55.90 1f9i s LYS 60 Cb 0.00 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1f9i s LYS 60 CO 0.00 -0.33 0.62 1.21 -0.92 0.00 0.00 175.35 175.93 1f9i s ASN 61 N -4.16 6.75 0.19 2.83 3.84 -1.26 -0.94 114.94 122.19 1f9i s ASN 61 Ca 0.49 0.91 -0.10 0.00 0.21 0.00 0.00 52.86 54.37 1f9i s ASN 61 Cb -0.10 -2.35 0.11 0.00 -0.55 0.00 0.00 41.25 38.35 1f9i s ASN 61 CO 0.45 -0.20 1.74 0.15 -2.79 0.00 0.00 177.10 176.44 1f9i h PHE 62 N 7.21 1.09 0.03 0.43 3.57 -1.26 -0.56 116.94 127.45 1f9i h PHE 62 Ca -0.35 -0.10 -0.25 0.00 3.53 0.00 0.00 57.97 60.80 1f9i h PHE 62 Cb 1.16 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1f9i h PHE 62 CO 0.68 0.86 -1.30 0.74 -2.23 0.00 0.00 178.31 177.06 1f9i h PHE 63 N 1.00 0.13 0.16 0.41 -1.00 -1.82 0.28 116.94 116.10 1f9i h PHE 63 Ca 0.23 -0.09 -0.34 0.00 2.81 0.00 0.00 57.97 60.57 1f9i h PHE 63 Cb 0.27 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1f9i h PHE 63 CO 0.02 1.10 -1.74 -0.22 -1.61 0.00 0.00 178.31 175.86 1f9i h LYS 64 N 0.02 0.34 0.00 1.51 3.64 -1.87 -3.36 116.57 116.86 1f9i h LYS 64 Ca -0.14 -0.59 -0.04 0.00 -1.27 0.00 0.00 60.65 58.62 1f9i h LYS 64 Cb 1.90 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.93 1f9i h LYS 64 CO 0.13 1.25 -0.71 -0.25 -2.27 0.00 0.00 179.45 177.60 1f9i n ASP 65 N -3.54 1.46 0.06 4.20 10.43 -0.27 -4.73 116.55 124.16 1f9i n ASP 65 Ca -0.24 0.23 -0.20 0.00 2.57 0.00 0.00 54.79 57.15 1f9i n ASP 65 Cb 1.07 -0.53 -0.13 0.00 1.84 0.00 0.00 41.12 43.37 1f9i n ASP 65 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1f9i h VAL 66 N -0.52 1.38 -2.11 2.53 2.07 -1.38 -3.41 116.25 114.83 1f9i h VAL 66 Ca -0.05 -2.37 -0.54 0.00 0.82 0.00 0.00 66.70 64.56 1f9i h VAL 66 Cb 0.64 2.80 -0.41 0.00 -1.52 0.00 0.00 31.29 32.80 1f9i h VAL 66 CO -0.03 0.70 -0.96 0.00 0.02 0.00 0.00 177.57 177.30 1f9i n ALA 67 N -2.65 3.09 0.30 1.67 0.00 0.96 -4.91 120.51 118.98 1f9i n ALA 67 Ca -0.13 -3.94 0.18 0.00 0.00 0.00 0.00 53.44 49.55 1f9i n ALA 67 Cb 0.85 -0.85 0.96 0.00 0.00 0.00 0.00 19.45 20.41 1f9i n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f9i h PRO 68 N 3.24 0.00 0.00 0.00 0.13 -1.74 0.19 132.00 133.82 1f9i h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1f9i h PRO 68 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1f9i h PRO 68 CO 0.63 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1f9i n THR 70 N -2.12 0.00 -2.64 0.00 -2.24 0.05 -4.70 114.28 102.63 1f9i n THR 70 Ca 0.01 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1f9i n THR 70 Cb 0.17 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1f9i n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f9i s ASP 71 N -2.55 6.68 0.12 3.42 2.15 -0.27 -1.21 116.67 125.01 1f9i s ASP 71 Ca 0.21 -1.98 -0.24 0.00 0.43 0.00 0.00 52.55 50.96 1f9i s ASP 71 Cb 0.19 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.34 1f9i s ASP 71 CO 0.57 -1.28 0.67 -0.55 -0.17 0.00 0.00 175.17 174.41 1f9i s SER 72 N 4.40 -0.52 0.51 -0.34 0.15 -1.26 -4.96 113.70 111.67 1f9i s SER 72 Ca 0.47 0.00 0.17 0.00 0.70 0.00 0.00 55.95 57.30 1f9i s SER 72 Cb 0.01 0.55 1.26 0.00 -1.71 0.00 0.00 66.02 66.12 1f9i s SER 72 CO -0.03 -0.88 2.11 -0.65 1.20 0.00 0.00 173.24 174.99 1f9i h PRO 73 N 2.01 0.04 0.00 5.44 0.11 -1.94 -0.11 132.00 137.55 1f9i h PRO 73 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1f9i h PRO 73 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1f9i h PRO 73 CO 0.36 0.03 0.00 1.49 -0.21 0.00 0.00 178.00 179.67 1f9i h GLU 74 N 0.04 0.00 0.00 1.05 4.81 -1.96 -3.05 114.58 115.48 1f9i h GLU 74 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1f9i h GLU 74 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1f9i h GLU 74 CO -0.00 0.00 0.00 0.34 -0.73 0.00 0.00 179.01 178.62 1f9i n PHE 75 N -2.42 0.00 -0.35 0.92 -0.00 -1.02 -4.67 117.46 109.92 1f9i n PHE 75 Ca 0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 1f9i n PHE 75 Cb 0.33 0.07 0.30 0.00 -0.00 0.00 0.00 39.48 40.18 1f9i n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1f9i h TYR 76 N 0.00 1.07 -0.80 -5.13 -0.00 -0.42 -0.69 116.97 111.00 1f9i h TYR 76 Ca 0.00 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.81 1f9i h TYR 76 Cb 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 36.73 36.34 1f9i h TYR 76 CO 0.00 0.31 0.49 0.78 -0.00 0.00 0.00 178.16 179.74 1f9i h GLY 77 N 0.83 1.19 0.93 1.82 0.00 -0.98 0.15 103.07 107.00 1f9i h GLY 77 Ca 0.54 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1f9i h GLY 77 CO -0.33 0.26 0.05 0.50 0.00 0.00 0.00 176.54 177.02 1f9i h LYS 78 N 0.92 0.63 0.02 4.80 1.57 -1.09 -1.92 116.57 121.50 1f9i h LYS 78 Ca 0.34 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1f9i h LYS 78 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1f9i h LYS 78 CO -0.16 0.71 -0.09 0.35 -0.57 0.00 0.00 179.45 179.69 1f9i h PHE 79 N 0.47 -0.23 -0.21 -1.35 3.57 -0.35 -1.00 116.94 117.84 1f9i h PHE 79 Ca 0.11 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1f9i h PHE 79 Cb 0.39 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1f9i h PHE 79 CO 0.03 -0.14 -0.28 1.57 -2.23 0.00 0.00 178.31 177.26 1f9i h LYS 80 N -0.17 0.41 -0.63 1.11 5.09 -0.66 -0.03 116.57 121.69 1f9i h LYS 80 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 60.65 60.59 1f9i h LYS 80 Cb 0.20 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.48 1f9i h LYS 80 CO -0.08 0.66 0.31 1.49 -2.09 0.00 0.00 179.45 179.73 1f9i h GLU 81 N 0.36 0.91 -0.35 0.07 4.22 -1.16 -0.65 114.58 117.99 1f9i h GLU 81 Ca 0.05 -0.13 -0.12 0.00 0.08 0.00 0.00 59.36 59.23 1f9i h GLU 81 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1f9i h GLU 81 CO 0.05 0.73 -0.29 0.78 -2.18 0.00 0.00 179.01 178.10 1f9i h GLY 82 N 0.87 0.79 0.96 1.92 0.00 0.17 -1.40 103.07 106.39 1f9i h GLY 82 Ca 0.22 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1f9i h GLY 82 CO -0.03 0.65 0.14 -2.08 0.00 0.00 0.00 176.54 175.22 1f9i h VAL 83 N 0.62 1.23 -0.65 4.60 2.07 -0.87 0.14 116.25 123.38 1f9i h VAL 83 Ca 0.08 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1f9i h VAL 83 Cb 0.80 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1f9i h VAL 83 CO 0.07 0.27 0.21 0.00 0.02 0.00 0.00 177.57 178.14 1f9i h ALA 84 N 0.99 0.86 0.00 1.67 0.00 -0.98 -2.81 119.26 118.98 1f9i h ALA 84 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1f9i h ALA 84 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1f9i h ALA 84 CO -0.00 0.53 -0.42 0.77 0.00 0.00 0.00 179.25 180.12 1f9i h SER 85 N 0.95 0.00 0.00 0.00 0.02 -1.03 -3.47 113.55 110.01 1f9i h SER 85 Ca 0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1f9i h SER 85 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1f9i h SER 85 CO -0.01 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1f9i n GLY 86 N 1.19 0.40 3.44 -3.77 0.00 0.42 -5.02 105.19 101.85 1f9i n GLY 86 Ca 0.03 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 1f9i n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f9i s ASN 87 N -2.97 -0.53 -0.24 1.61 2.20 -0.81 -5.03 114.94 109.17 1f9i s ASN 87 Ca 0.00 0.83 -0.13 0.00 -0.94 0.00 0.00 52.86 52.62 1f9i s ASN 87 Cb 0.00 0.83 0.08 0.00 -2.00 0.00 0.00 41.25 40.16 1f9i s ASN 87 CO 0.00 -0.36 0.58 -0.22 -2.94 0.00 0.00 177.10 174.16 1f9i s LEU 88 N -0.41 -0.68 -0.32 3.54 2.96 -1.26 -4.30 118.68 118.20 1f9i s LEU 88 Ca -0.06 1.30 0.04 0.00 -0.22 0.00 0.00 54.13 55.19 1f9i s LEU 88 Cb -0.03 1.99 0.19 0.00 0.50 0.00 0.00 46.19 48.84 1f9i s LEU 88 CO 0.04 -0.22 0.66 0.21 -1.32 0.00 0.00 176.35 175.72 1f9i s ASN 89 N 1.75 -1.45 -0.04 3.68 2.47 -1.23 -1.17 114.94 118.95 1f9i s ASN 89 Ca -0.09 -0.10 -0.04 0.00 0.42 0.00 0.00 52.86 53.06 1f9i s ASN 89 Cb -0.07 1.89 0.01 0.00 -1.45 0.00 0.00 41.25 41.63 1f9i s ASN 89 CO -0.17 -0.23 0.10 0.28 -3.72 0.00 0.00 177.10 173.36 1f9i s THR 90 N 2.54 0.00 -0.04 -5.21 -1.32 -0.40 -5.00 115.64 106.21 1f9i s THR 90 Ca 0.13 -0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.64 1f9i s THR 90 Cb -0.07 -0.15 0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1f9i s THR 90 CO -0.20 -0.00 -0.11 -0.32 -2.21 0.00 0.00 174.62 171.77 1f9i s MET 91 N 0.05 1.38 -0.05 7.08 1.75 -1.26 -0.35 119.30 127.89 1f9i s MET 91 Ca -0.00 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 1f9i s MET 91 Cb -0.01 -1.21 0.08 0.00 2.84 0.00 0.00 34.83 36.54 1f9i s MET 91 CO 0.00 0.10 0.73 -0.59 -0.65 0.00 0.00 175.02 174.61 1f9i s PHE 92 N 0.38 -0.60 0.40 4.11 -0.12 -0.12 -4.99 117.98 117.05 1f9i s PHE 92 Ca -0.08 0.99 -0.11 0.00 -0.05 0.00 0.00 56.93 57.68 1f9i s PHE 92 Cb -0.12 0.43 -0.07 0.00 -0.63 0.00 0.00 43.02 42.63 1f9i s PHE 92 CO 0.02 -0.58 0.77 -1.21 -0.05 0.00 0.00 175.22 174.17 1f9i s GLU 93 N -1.37 3.80 0.16 1.99 2.02 -1.26 -0.20 118.70 123.84 1f9i s GLU 93 Ca -0.09 0.49 -0.21 0.00 0.02 0.00 0.00 54.97 55.19 1f9i s GLU 93 Cb -0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.90 1f9i s GLU 93 CO 0.07 -0.03 0.55 -0.47 0.02 0.00 0.00 175.26 175.40 1f9i s TYR 94 N -2.35 -0.42 -0.17 1.61 6.14 -0.36 -4.91 117.35 116.91 1f9i s TYR 94 Ca 0.52 0.16 -0.00 0.00 0.64 0.00 0.00 57.07 58.39 1f9i s TYR 94 Cb -0.10 0.48 0.00 0.00 0.42 0.00 0.00 41.96 42.76 1f9i s TYR 94 CO 0.30 -0.83 -0.15 0.99 0.64 0.00 0.00 175.55 176.50 1f9i s THR 95 N -3.78 2.65 -0.23 4.34 2.01 -1.26 -0.55 115.64 118.82 1f9i s THR 95 Ca 0.02 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.09 1f9i s THR 95 Cb -0.01 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1f9i s THR 95 CO -0.11 0.51 0.46 -0.36 -0.69 0.00 0.00 174.62 174.42 1f9i s PHE 96 N 0.98 3.32 0.00 4.92 2.99 -0.24 -4.89 117.98 125.06 1f9i s PHE 96 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 56.93 57.54 1f9i s PHE 96 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 43.02 40.25 1f9i s PHE 96 CO -0.03 -0.15 0.66 -0.40 -0.00 0.00 0.00 175.22 175.31 1f9i n ASP 97 N 4.99 0.00 -4.59 1.36 5.68 -1.26 -0.89 116.55 121.83 1f9i n ASP 97 Ca -0.06 -1.37 -0.41 0.00 -0.50 0.00 0.00 54.79 52.44 1f9i n ASP 97 Cb 0.50 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1f9i n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1f9i s TYR 98 N 0.00 3.20 -1.53 2.11 6.04 -1.26 -4.14 117.35 121.77 1f9i s TYR 98 Ca 0.00 0.56 -0.13 0.00 0.04 0.00 0.00 57.07 57.54 1f9i s TYR 98 Cb 0.00 -3.05 0.08 0.00 -1.04 0.00 0.00 41.96 37.95 1f9i s TYR 98 CO 0.00 -0.52 0.95 1.04 -1.54 0.00 0.00 175.55 175.48 1f9i n GLN 99 N 5.96 -5.33 -3.45 4.97 1.13 -1.26 -4.93 117.38 114.47 1f9i n GLN 99 Ca -0.00 0.58 -0.11 0.00 -1.94 0.00 0.00 57.00 55.53 1f9i n GLN 99 Cb 0.49 -5.43 -0.02 0.00 0.11 0.00 0.00 30.24 25.39 1f9i n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f9i s MET 100 N -6.59 1.13 0.21 -1.09 0.23 -1.26 -5.12 119.30 106.80 1f9i s MET 100 Ca 0.61 -0.42 -0.31 0.00 -1.03 0.00 0.00 55.69 54.54 1f9i s MET 100 Cb -0.31 0.52 -0.11 0.00 -1.53 0.00 0.00 34.83 33.40 1f9i s MET 100 CO 0.84 -0.49 1.65 0.99 -2.03 0.00 0.00 175.02 175.97 1f9i s THR 101 N -3.54 2.23 0.17 3.16 2.01 -1.26 -4.73 115.64 113.67 1f9i s THR 101 Ca 0.02 0.17 -0.33 0.00 0.31 0.00 0.00 61.69 61.86 1f9i s THR 101 Cb -0.01 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.26 1f9i s THR 101 CO -0.11 0.02 1.62 -2.65 -0.69 0.00 0.00 174.62 172.80 1f9i n PRO 102 N 3.65 2.30 -3.87 4.92 -0.02 -1.26 -4.77 135.00 135.95 1f9i n PRO 102 Ca 0.14 0.83 -0.27 0.00 -2.02 0.00 0.00 63.50 62.18 1f9i n PRO 102 Cb 0.37 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.06 1f9i n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f9i s THR 103 N 1.04 0.92 0.03 3.45 2.01 -0.07 -4.96 115.64 118.06 1f9i s THR 103 Ca 0.78 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.14 1f9i s THR 103 Cb -0.64 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1f9i s THR 103 CO 0.37 0.23 0.88 -0.75 -0.69 0.00 0.00 174.62 174.66 1f9i s LYS 104 N 1.73 4.56 0.18 4.92 2.20 -1.26 -1.08 119.74 131.00 1f9i s LYS 104 Ca 0.03 1.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.92 1f9i s LYS 104 Cb -0.14 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1f9i s LYS 104 CO -0.08 0.11 0.01 0.14 -0.36 0.00 0.00 175.35 175.18 1f9i s VAL 105 N 0.47 0.68 -0.18 4.02 -7.23 0.29 -2.75 120.40 115.70 1f9i s VAL 105 Ca 0.45 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1f9i s VAL 105 Cb -0.21 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1f9i s VAL 105 CO 0.26 -0.42 0.03 -0.75 -0.31 0.00 0.00 175.10 173.91 1f9i s LYS 106 N -3.92 3.87 -0.08 4.82 2.20 0.38 -1.22 119.74 125.79 1f9i s LYS 106 Ca 0.26 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1f9i s LYS 106 Cb 0.06 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1f9i s LYS 106 CO 0.05 0.25 -0.12 0.08 -0.36 0.00 0.00 175.35 175.25 1f9i s VAL 107 N 0.41 3.23 -0.18 4.02 1.01 0.72 -1.47 120.40 128.14 1f9i s VAL 107 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1f9i s VAL 107 Cb -0.13 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1f9i s VAL 107 CO 0.01 0.57 -0.08 -2.28 0.00 0.00 0.00 175.10 173.33 1f9i s HIS 108 N -0.41 2.00 -0.17 5.22 2.46 0.13 -0.94 115.29 123.58 1f9i s HIS 108 Ca 0.05 -1.29 -0.07 0.00 0.47 0.00 0.00 55.06 54.22 1f9i s HIS 108 Cb -0.12 -1.45 -0.04 0.00 -0.13 0.00 0.00 32.58 30.83 1f9i s HIS 108 CO 0.02 -0.67 0.08 -1.64 -2.47 0.00 0.00 174.74 170.06 1f9i s MET 109 N 1.54 3.85 -0.11 2.88 -1.94 0.52 -0.41 119.30 125.62 1f9i s MET 109 Ca 0.00 -0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 53.60 1f9i s MET 109 Cb -0.16 -3.20 0.04 0.00 2.01 0.00 0.00 34.83 33.52 1f9i s MET 109 CO -0.08 0.38 0.28 0.21 -0.01 0.00 0.00 175.02 175.80 1f9i s LYS 110 N 0.07 0.27 0.37 2.03 2.20 -0.46 -1.28 119.74 122.95 1f9i s LYS 110 Ca 0.06 0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 55.91 1f9i s LYS 110 Cb -0.12 -0.00 -0.10 0.00 -1.51 0.00 0.00 37.83 36.09 1f9i s LYS 110 CO 0.00 -0.12 1.42 0.21 -0.36 0.00 0.00 175.35 176.51 1f9i s LYS 111 N 0.87 4.13 0.86 4.03 2.20 -0.31 -0.34 119.74 131.18 1f9i s LYS 111 Ca -0.06 2.44 -0.12 0.00 -0.36 0.00 0.00 55.97 57.88 1f9i s LYS 111 Cb -0.07 -2.96 0.11 0.00 -1.51 0.00 0.00 37.83 33.40 1f9i s LYS 111 CO -0.06 -0.47 1.09 0.00 -0.36 0.00 0.00 175.35 175.56 1f9i s ALA 112 N -1.14 1.82 0.26 3.13 0.00 0.43 -4.80 121.76 121.46 1f9i s ALA 112 Ca 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1f9i s ALA 112 Cb -0.44 -3.16 0.35 0.00 0.00 0.00 0.00 23.12 19.87 1f9i s ALA 112 CO 0.59 -2.12 1.68 1.25 0.00 0.00 0.00 175.76 177.16 1f9i h LEU 113 N -1.37 0.51 -9.90 0.00 5.85 -1.87 -3.43 115.31 105.09 1f9i h LEU 113 Ca -0.49 -0.19 -0.56 0.00 0.84 0.00 0.00 57.88 57.48 1f9i h LEU 113 Cb 1.28 -0.14 0.15 0.00 0.37 0.00 0.00 40.66 42.31 1f9i h LEU 113 CO 0.56 0.79 0.38 -1.54 -0.34 0.00 0.00 178.44 178.29 1f9i n SER 114 N -4.09 1.85 0.12 1.25 3.41 -1.26 -4.94 113.62 109.96 1f9i n SER 114 Ca -0.01 0.94 -0.02 0.00 -0.26 0.00 0.00 58.87 59.52 1f9i n SER 114 Cb 0.44 -1.48 0.13 0.00 -0.26 0.00 0.00 64.21 63.05 1f9i n SER 114 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1f9i h GLY 115 N 1.18 0.03 -5.82 5.00 0.00 -2.02 -3.28 103.07 98.16 1f9i h GLY 115 Ca -0.49 -0.05 -0.48 0.00 0.00 0.00 0.00 47.33 46.31 1f9i h GLY 115 CO 0.55 0.04 -1.01 1.34 0.00 0.00 0.00 176.54 177.46 1f9i n ASP 116 N -3.77 -0.24 -3.95 0.19 2.03 -1.26 -4.96 116.55 104.58 1f9i n ASP 116 Ca -0.01 -2.88 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 1f9i n ASP 116 Cb 0.65 -0.18 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 1f9i n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1f9i s SER 117 N -1.49 0.25 -0.03 1.67 1.04 -1.24 -3.85 113.70 110.06 1f9i s SER 117 Ca 0.35 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1f9i s SER 117 Cb 0.22 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1f9i s SER 117 CO -0.12 -0.62 0.01 -0.31 0.98 0.00 0.00 173.24 173.18 1f9i s TYR 118 N -3.50 0.21 0.07 5.02 2.02 0.28 -0.43 117.35 121.03 1f9i s TYR 118 Ca 0.03 0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 56.63 1f9i s TYR 118 Cb 0.04 -0.35 -0.06 0.00 -0.40 0.00 0.00 41.96 41.19 1f9i s TYR 118 CO -0.09 -0.12 0.48 -1.58 -1.57 0.00 0.00 175.55 172.67 1f9i s TRP 119 N 1.05 3.67 -0.26 2.71 0.52 0.54 -0.35 118.94 126.84 1f9i s TRP 119 Ca -0.09 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.06 1f9i s TRP 119 Cb -0.13 -2.32 0.05 0.00 -1.15 0.00 0.00 33.47 29.92 1f9i s TRP 119 CO -0.02 0.54 -0.10 0.08 0.02 0.00 0.00 176.95 177.47 1f9i s VAL 120 N -1.27 2.33 -0.05 4.03 1.01 0.44 -1.35 120.40 125.55 1f9i s VAL 120 Ca 0.31 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1f9i s VAL 120 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1f9i s VAL 120 CO 0.17 0.02 0.04 -0.36 0.00 0.00 0.00 175.10 174.97 1f9i s PHE 121 N 1.15 3.24 -0.01 5.22 0.40 0.45 -0.84 117.98 127.58 1f9i s PHE 121 Ca -0.07 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1f9i s PHE 121 Cb -0.19 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1f9i s PHE 121 CO -0.05 0.52 -0.00 0.08 0.70 0.00 0.00 175.22 176.47 1f9i s VAL 122 N -1.03 0.12 0.05 -0.44 1.01 -0.22 -0.70 120.40 119.19 1f9i s VAL 122 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1f9i s VAL 122 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1f9i s VAL 122 CO 0.07 0.08 -0.02 -1.59 0.00 0.00 0.00 175.10 173.65 1f9i s LYS 123 N 0.52 0.59 0.50 2.72 -2.85 -0.54 -0.34 119.74 120.35 1f9i s LYS 123 Ca -0.05 -1.14 -0.20 0.00 -1.00 0.00 0.00 55.97 53.58 1f9i s LYS 123 Cb -0.07 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.83 1f9i s LYS 123 CO -0.01 -0.11 1.10 1.03 0.10 0.00 0.00 175.35 177.46 1f9i s ARG 124 N -3.65 3.59 0.00 1.78 0.52 -1.26 -0.47 118.95 119.47 1f9i s ARG 124 Ca 0.04 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1f9i s ARG 124 Cb 0.06 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1f9i s ARG 124 CO -0.09 -0.64 0.27 1.33 0.02 0.00 0.00 175.30 176.19