#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9h s VAL 2 N 0.00 0.08 0.13 1.12 0.11 -1.26 -4.25 120.40 116.33 2i9h s VAL 2 Ca 0.00 -0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2i9h s VAL 2 Cb 0.00 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 2i9h s VAL 2 CO 0.00 0.05 0.28 -0.89 -3.33 0.00 0.00 175.10 171.21 2i9h s THR 3 N 0.22 0.09 0.57 5.04 2.01 -1.19 -5.03 115.64 117.34 2i9h s THR 3 Ca -0.02 -1.17 0.06 0.00 0.31 0.00 0.00 61.69 60.88 2i9h s THR 3 Cb -0.03 -1.55 0.06 0.00 0.01 0.00 0.00 72.50 70.99 2i9h s THR 3 CO -0.01 -0.42 0.51 0.00 -0.69 0.00 0.00 174.62 174.01 2i9h n GLN 4 N -0.17 0.65 -4.51 4.92 6.02 -1.26 0.16 117.38 123.19 2i9h n GLN 4 Ca -0.11 -3.44 -0.24 0.00 -0.01 0.00 0.00 57.00 53.19 2i9h n GLN 4 Cb 0.63 0.24 -0.17 0.00 1.02 0.00 0.00 30.24 31.96 2i9h n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2i9h s PHE 5 N -2.77 1.36 -0.07 1.08 0.08 0.21 -4.69 117.98 113.18 2i9h s PHE 5 Ca 0.39 -0.50 0.10 0.00 0.12 0.00 0.00 56.93 57.04 2i9h s PHE 5 Cb -0.03 -1.02 -0.15 0.00 -0.57 0.00 0.00 43.02 41.25 2i9h s PHE 5 CO 0.25 -0.27 0.24 1.63 -0.10 0.00 0.00 175.22 176.97 2i9h n LYS 6 N 3.87 0.73 -3.96 0.44 4.76 -1.26 -3.17 118.16 119.57 2i9h n LYS 6 Ca -0.23 -0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.03 2i9h n LYS 6 Cb 0.52 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 2i9h n LYS 6 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2i9h s THR 7 N -2.59 0.06 -0.66 -0.18 2.01 -1.26 -4.60 115.64 108.42 2i9h s THR 7 Ca -0.03 -1.39 -0.25 0.00 0.31 0.00 0.00 61.69 60.34 2i9h s THR 7 Cb 0.06 -1.88 0.05 0.00 0.01 0.00 0.00 72.50 70.74 2i9h s THR 7 CO 0.41 -0.25 1.08 0.00 -0.69 0.00 0.00 174.62 175.16 2i9h s ALA 8 N -3.98 3.00 0.00 7.40 0.00 -1.26 -3.36 121.76 123.56 2i9h s ALA 8 Ca 0.18 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2i9h s ALA 8 Cb 0.03 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2i9h s ALA 8 CO 0.01 -2.86 0.00 0.43 0.00 0.00 0.00 175.76 173.34 2i9h n SER 9 N 8.25 0.00 0.01 0.00 7.64 -1.26 -4.96 113.62 123.29 2i9h n SER 9 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2i9h n SER 9 Cb 0.47 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.54 2i9h n SER 9 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2i9h h GLU 10 N 0.00 0.03 0.12 1.43 5.08 -1.99 -3.34 114.58 115.91 2i9h h GLU 10 Ca 0.00 -0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 57.96 2i9h h GLU 10 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2i9h h GLU 10 CO 0.00 0.69 -1.93 0.34 -1.00 0.00 0.00 179.01 177.11 2i9h n PHE 11 N -3.17 1.27 -0.34 4.33 7.35 -1.26 -3.77 117.46 121.88 2i9h n PHE 11 Ca -0.13 0.29 0.17 0.00 -0.76 0.00 0.00 57.45 57.01 2i9h n PHE 11 Cb 1.02 -1.16 0.37 0.00 0.35 0.00 0.00 39.48 40.06 2i9h n PHE 11 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2i9h h ASP 12 N -0.01 0.64 1.04 -2.13 1.82 -1.90 0.44 116.42 116.32 2i9h h ASP 12 Ca -0.42 0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.24 2i9h h ASP 12 Cb 1.98 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 42.01 2i9h h ASP 12 CO 0.07 0.10 -0.58 0.28 -1.61 0.00 0.00 179.24 177.50 2i9h h SER 13 N 0.57 0.00 0.60 2.28 0.02 -1.73 -2.97 113.55 112.32 2i9h h SER 13 Ca 0.63 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.55 2i9h h SER 13 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2i9h h SER 13 CO -0.48 0.58 -0.39 0.00 -1.14 0.00 0.00 176.83 175.40 2i9h h ALA 14 N 1.42 -1.18 -0.10 3.77 0.00 -0.22 -3.23 119.26 119.73 2i9h h ALA 14 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2i9h h ALA 14 Cb 1.25 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 2i9h h ALA 14 CO 0.07 -1.15 0.03 -0.84 0.00 0.00 0.00 179.25 177.37 2i9h h ILE 15 N -0.94 1.16 -0.02 0.00 3.07 -1.62 -3.39 117.51 115.77 2i9h h ILE 15 Ca -0.08 -0.49 -0.42 0.00 1.55 0.00 0.00 64.86 65.42 2i9h h ILE 15 Cb 0.76 1.31 -0.10 0.00 -0.27 0.00 0.00 36.82 38.51 2i9h h ILE 15 CO 0.06 0.14 1.89 0.00 -1.05 0.00 0.00 178.15 179.20 2i9h n ALA 16 N -2.22 0.77 -3.12 0.16 0.00 -1.12 0.27 120.51 115.24 2i9h n ALA 16 Ca -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 2i9h n ALA 16 Cb 0.13 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2i9h n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i9h n GLN 17 N 6.85 -1.05 -2.08 0.00 6.02 -1.26 -4.65 117.38 121.22 2i9h n GLN 17 Ca 0.67 1.23 -0.01 0.00 -0.01 0.00 0.00 57.00 58.87 2i9h n GLN 17 Cb 0.10 -1.99 0.06 0.00 1.02 0.00 0.00 30.24 29.44 2i9h n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2i9h n ASP 18 N 1.03 -0.72 0.00 1.08 -0.08 -1.18 -4.90 116.55 111.78 2i9h n ASP 18 Ca -0.00 -1.59 0.00 0.00 -1.51 0.00 0.00 54.79 51.69 2i9h n ASP 18 Cb 0.42 0.36 0.00 0.00 2.34 0.00 0.00 41.12 44.24 2i9h n ASP 18 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2i9h n LYS 19 N -0.72 0.00 -3.37 -0.67 5.02 -1.26 -4.59 118.16 112.56 2i9h n LYS 19 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2i9h n LYS 19 Cb 0.68 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.60 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2i9h s LEU 20 N 0.00 4.79 -0.36 -0.35 2.96 -1.26 -3.07 118.68 121.39 2i9h s LEU 20 Ca 0.00 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.18 2i9h s LEU 20 Cb 0.00 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 2i9h s LEU 20 CO 0.00 -0.49 0.26 -0.69 -1.32 0.00 0.00 176.35 174.11 2i9h s VAL 21 N 2.02 5.28 -0.51 1.68 1.01 -0.23 -0.00 120.40 129.64 2i9h s VAL 21 Ca 0.11 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2i9h s VAL 21 Cb -0.17 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.54 2i9h s VAL 21 CO 0.12 -0.09 0.46 -0.69 0.00 0.00 0.00 175.10 174.90 2i9h s VAL 22 N 1.72 5.21 -0.11 2.92 1.01 0.15 -1.58 120.40 129.72 2i9h s VAL 22 Ca 0.06 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 2i9h s VAL 22 Cb -0.18 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2i9h s VAL 22 CO 0.10 -0.74 0.04 -0.69 0.00 0.00 0.00 175.10 173.82 2i9h s VAL 23 N 1.64 4.66 -0.17 2.92 1.01 0.99 -2.59 120.40 128.87 2i9h s VAL 23 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 2i9h s VAL 23 Cb -0.27 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2i9h s VAL 23 CO 0.05 0.59 0.05 -0.62 0.00 0.00 0.00 175.10 175.16 2i9h s ASP 24 N -0.73 5.53 -0.80 3.32 2.15 -1.20 -0.22 116.67 124.72 2i9h s ASP 24 Ca 0.12 0.08 -0.02 0.00 0.43 0.00 0.00 52.55 53.15 2i9h s ASP 24 Cb -0.12 -1.92 0.33 0.00 -0.30 0.00 0.00 42.92 40.92 2i9h s ASP 24 CO 0.02 0.20 2.10 0.49 -0.17 0.00 0.00 175.17 177.81 2i9h n PHE 25 N 3.38 2.86 -1.56 -5.34 3.01 -0.46 0.14 117.46 119.49 2i9h n PHE 25 Ca -0.17 -2.32 -0.50 0.00 1.01 0.00 0.00 57.45 55.47 2i9h n PHE 25 Cb 0.52 -1.22 -0.04 0.00 -0.01 0.00 0.00 39.48 38.73 2i9h n PHE 25 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2i9h n TYR 26 N -0.43 1.12 -1.81 1.38 0.18 -1.24 -4.23 117.16 112.14 2i9h n TYR 26 Ca 0.54 0.73 -0.42 0.00 1.88 0.00 0.00 57.90 60.63 2i9h n TYR 26 Cb 0.29 -2.24 -0.03 0.00 -0.38 0.00 0.00 39.34 36.97 2i9h n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9h s ALA 27 N -0.25 3.84 0.55 -3.48 0.00 -1.26 -3.61 121.76 117.55 2i9h s ALA 27 Ca 0.74 1.46 0.22 0.00 0.00 0.00 0.00 51.96 54.38 2i9h s ALA 27 Cb -0.89 -3.68 1.50 0.00 0.00 0.00 0.00 23.12 20.05 2i9h s ALA 27 CO 0.53 -0.95 2.17 0.00 0.00 0.00 0.00 175.76 177.52 2i9h h THR 28 N 4.12 0.78 0.06 0.00 1.03 -1.88 -2.91 112.91 114.10 2i9h h THR 28 Ca -0.43 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 65.61 2i9h h THR 28 Cb 1.20 0.97 -0.04 0.00 -1.07 0.00 0.00 68.15 69.21 2i9h h THR 28 CO 0.94 0.00 -2.11 -2.67 -0.01 0.00 0.00 175.52 171.67 2i9h n TRP 29 N -4.23 0.75 -0.96 0.00 4.27 -1.26 -4.98 117.44 111.03 2i9h n TRP 29 Ca -0.02 0.19 -0.35 0.00 -3.89 0.00 0.00 57.50 53.43 2i9h n TRP 29 Cb 0.14 -1.11 0.08 0.00 -1.36 0.00 0.00 31.31 29.05 2i9h n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9h n GLY 31 N 2.38 -0.48 0.49 0.00 0.00 -1.26 -4.57 105.19 101.74 2i9h n GLY 31 Ca 0.04 -0.12 0.28 0.00 0.00 0.00 0.00 46.02 46.22 2i9h n GLY 31 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i9h h PRO 32 N -0.35 0.00 0.00 1.61 0.11 -1.95 0.20 132.00 131.63 2i9h h PRO 32 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2i9h h PRO 32 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2i9h h PRO 32 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2i9h h LYS 34 N 0.00 0.45 0.00 0.00 1.79 -0.86 -3.08 116.57 114.86 2i9h h LYS 34 Ca 0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2i9h h LYS 34 Cb 0.02 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2i9h h LYS 34 CO 0.00 1.02 0.00 -1.33 -1.08 0.00 0.00 179.45 178.06 2i9h n MET 35 N -4.29 0.54 0.04 3.15 2.81 -0.99 -2.92 117.12 115.47 2i9h n MET 35 Ca -0.08 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.61 2i9h n MET 35 Cb 0.58 -1.41 -0.09 0.00 -0.71 0.00 0.00 33.22 31.58 2i9h n MET 35 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2i9h h ILE 36 N 0.00 1.29 -0.76 2.02 2.04 -1.60 -3.26 117.51 117.24 2i9h h ILE 36 Ca 0.00 -2.25 0.15 0.00 1.00 0.00 0.00 64.86 63.76 2i9h h ILE 36 Cb 0.00 2.36 -0.14 0.00 -0.74 0.00 0.00 36.82 38.29 2i9h h ILE 36 CO 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 178.15 178.64 2i9h h ALA 37 N 0.46 0.46 -0.05 1.87 0.00 -1.71 1.04 119.26 121.33 2i9h h ALA 37 Ca -0.12 0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2i9h h ALA 37 Cb 1.66 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 2i9h h ALA 37 CO 0.20 -0.43 -0.46 -1.00 0.00 0.00 0.00 179.25 177.55 2i9h h PRO 38 N -0.01 0.12 0.07 0.00 0.13 -1.81 -2.83 132.00 127.66 2i9h h PRO 38 Ca 0.36 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.43 2i9h h PRO 38 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2i9h h PRO 38 CO -0.79 0.56 -0.03 1.98 -0.23 0.00 0.00 178.00 179.49 2i9h h MET 39 N 0.10 -0.09 -0.88 0.86 4.05 -0.44 -2.50 114.93 116.03 2i9h h MET 39 Ca 0.00 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.68 2i9h h MET 39 Cb 0.86 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.65 2i9h h MET 39 CO 0.07 0.34 0.68 0.82 0.23 0.00 0.00 176.91 179.04 2i9h h ILE 40 N -0.54 0.47 -0.01 1.77 2.04 0.97 0.54 117.51 122.76 2i9h h ILE 40 Ca -0.01 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 2i9h h ILE 40 Cb 0.46 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2i9h h ILE 40 CO 0.02 0.00 -0.92 -0.08 0.00 0.00 0.00 178.15 177.16 2i9h h GLU 41 N 0.00 0.40 0.00 2.37 4.81 -1.24 -3.14 114.58 117.78 2i9h h GLU 41 Ca 0.42 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2i9h h GLU 41 Cb 1.77 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.27 2i9h h GLU 41 CO -0.00 1.09 -0.01 0.87 -0.73 0.00 0.00 179.01 180.23 2i9h h LYS 42 N 0.23 0.00 0.00 1.92 1.57 0.53 -1.95 116.57 118.87 2i9h h LYS 42 Ca -0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2i9h h LYS 42 Cb 1.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 2i9h h LYS 42 CO 0.16 0.01 -1.34 1.19 -0.57 0.00 0.00 179.45 178.90 2i9h n PHE 43 N -3.16 0.97 0.18 -1.35 3.01 -1.13 -3.91 117.46 112.08 2i9h n PHE 43 Ca -0.02 0.32 0.08 0.00 1.01 0.00 0.00 57.45 58.83 2i9h n PHE 43 Cb 0.13 -1.06 0.40 0.00 -0.01 0.00 0.00 39.48 38.94 2i9h n PHE 43 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2i9h n SER 44 N -2.84 0.39 0.08 4.37 7.64 -0.73 -1.27 113.62 121.26 2i9h n SER 44 Ca -0.08 0.66 0.02 0.00 1.01 0.00 0.00 58.87 60.48 2i9h n SER 44 Cb 0.78 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 2i9h n SER 44 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2i9h h GLU 45 N 0.00 0.00 0.01 1.43 4.57 -1.68 -2.91 114.58 116.00 2i9h h GLU 45 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2i9h h GLU 45 Cb 0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 2i9h h GLU 45 CO 0.00 0.37 -1.74 1.04 -1.18 0.00 0.00 179.01 177.50 2i9h n GLN 46 N -3.03 0.64 -2.38 1.92 6.02 -0.40 -4.39 117.38 115.76 2i9h n GLN 46 Ca -0.04 0.29 -0.23 0.00 -0.01 0.00 0.00 57.00 57.01 2i9h n GLN 46 Cb 0.78 -1.78 0.01 0.00 1.02 0.00 0.00 30.24 30.27 2i9h n GLN 46 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2i9h n TYR 47 N -3.07 2.87 -0.51 1.08 4.01 -0.93 -4.90 117.16 115.71 2i9h n TYR 47 Ca -0.18 -2.76 0.40 0.00 -0.16 0.00 0.00 57.90 55.20 2i9h n TYR 47 Cb 1.05 -0.20 0.65 0.00 -0.31 0.00 0.00 39.34 40.54 2i9h n TYR 47 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2i9h n PRO 48 N -0.51 -0.02 0.16 -0.72 -0.02 -1.10 0.19 135.00 132.98 2i9h n PRO 48 Ca 0.36 1.02 0.02 0.00 -2.02 0.00 0.00 63.50 62.88 2i9h n PRO 48 Cb 0.78 -2.15 0.37 0.00 -0.02 0.00 0.00 33.50 32.47 2i9h n PRO 48 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2i9h h GLN 49 N 0.00 0.10 -6.18 -0.52 1.08 -1.90 -3.42 115.11 104.27 2i9h h GLN 49 Ca 0.79 -0.03 -0.57 0.00 -1.45 0.00 0.00 58.65 57.38 2i9h h GLN 49 Cb 2.85 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 30.22 2i9h h GLN 49 CO -0.22 0.38 -0.04 0.00 -0.95 0.00 0.00 178.83 178.00 2i9h s ALA 50 N -4.41 3.56 -0.23 3.87 0.00 0.50 -4.18 121.76 120.88 2i9h s ALA 50 Ca -0.04 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 2i9h s ALA 50 Cb 0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2i9h s ALA 50 CO 0.73 0.33 0.63 -0.51 0.00 0.00 0.00 175.76 176.94 2i9h s ASP 51 N -0.83 6.62 -1.06 0.00 1.11 0.99 -4.92 116.67 118.59 2i9h s ASP 51 Ca 0.29 0.76 -0.12 0.00 0.18 0.00 0.00 52.55 53.67 2i9h s ASP 51 Cb -0.19 -2.34 0.24 0.00 1.07 0.00 0.00 42.92 41.70 2i9h s ASP 51 CO 0.18 -0.32 1.10 -0.36 1.18 0.00 0.00 175.17 176.94 2i9h s PHE 52 N 2.23 3.95 0.54 4.23 0.40 -1.26 0.30 117.98 128.37 2i9h s PHE 52 Ca 0.27 -2.36 0.05 0.00 -0.60 0.00 0.00 56.93 54.29 2i9h s PHE 52 Cb -0.16 -3.95 0.10 0.00 0.51 0.00 0.00 43.02 39.52 2i9h s PHE 52 CO 0.09 -1.08 0.74 0.66 0.70 0.00 0.00 175.22 176.34 2i9h n TYR 53 N 3.76 -2.64 -3.79 0.36 4.01 -1.07 -3.17 117.16 114.62 2i9h n TYR 53 Ca 0.24 -1.67 -0.13 0.00 -0.16 0.00 0.00 57.90 56.19 2i9h n TYR 53 Cb 0.42 -0.52 -0.12 0.00 -0.31 0.00 0.00 39.34 38.81 2i9h n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2i9h s LYS 54 N -4.40 0.26 -0.15 -0.72 1.02 0.42 -3.23 119.74 112.95 2i9h s LYS 54 Ca 0.53 0.33 -0.07 0.00 0.02 0.00 0.00 55.97 56.79 2i9h s LYS 54 Cb -0.04 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 2i9h s LYS 54 CO 0.34 -0.04 0.10 -1.17 -0.92 0.00 0.00 175.35 173.66 2i9h s LEU 55 N 0.22 4.07 -0.11 3.17 1.98 0.36 0.65 118.68 129.03 2i9h s LEU 55 Ca -0.01 0.27 -0.22 0.00 -2.89 0.00 0.00 54.13 51.29 2i9h s LEU 55 Cb -0.02 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 2i9h s LEU 55 CO -0.00 0.30 0.63 -0.62 -1.89 0.00 0.00 176.35 174.76 2i9h s ASP 56 N -0.37 6.85 0.04 3.68 -1.08 -1.19 -3.63 116.67 120.97 2i9h s ASP 56 Ca 0.10 1.02 0.26 0.00 -0.52 0.00 0.00 52.55 53.42 2i9h s ASP 56 Cb -0.12 -2.37 0.74 0.00 -1.46 0.00 0.00 42.92 39.72 2i9h s ASP 56 CO 0.02 -0.12 1.60 0.52 0.52 0.00 0.00 175.17 177.70 2i9h n VAL 57 N 3.93 0.11 -0.10 1.11 0.31 -1.24 -2.54 118.33 119.91 2i9h n VAL 57 Ca -0.03 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 2i9h n VAL 57 Cb 0.51 -0.12 -0.09 0.00 -0.91 0.00 0.00 33.84 33.23 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2i9h n ASP 58 N -1.66 2.37 0.09 4.52 5.68 -1.26 -3.39 116.55 122.90 2i9h n ASP 58 Ca 0.06 -0.06 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 2i9h n ASP 58 Cb 0.36 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 2i9h n ASP 58 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2i9h h GLU 59 N -0.09 0.08 -0.86 0.11 4.57 -1.91 -3.31 114.58 113.17 2i9h h GLU 59 Ca -0.44 -0.09 -0.48 0.00 -1.18 0.00 0.00 59.36 57.16 2i9h h GLU 59 Cb 1.64 0.03 -0.42 0.00 -0.16 0.00 0.00 28.75 29.84 2i9h h GLU 59 CO -0.10 0.90 -0.89 1.28 -1.18 0.00 0.00 179.01 179.03 2i9h n LEU 60 N -3.57 3.98 -0.14 1.64 4.32 -1.05 -4.85 117.00 117.32 2i9h n LEU 60 Ca -0.02 -4.43 0.28 0.00 -0.02 0.00 0.00 56.01 51.82 2i9h n LEU 60 Cb 0.82 -0.15 0.69 0.00 -1.62 0.00 0.00 43.42 43.16 2i9h n LEU 60 CO 0.46 1.89 1.26 1.23 -1.22 0.00 0.00 177.39 181.01 2i9h h GLY 61 N 2.40 0.00 2.00 -0.72 0.00 -1.65 0.61 103.07 105.71 2i9h h GLY 61 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2i9h h GLY 61 CO 0.65 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 176.57 2i9h h ASP 62 N 0.00 0.00 0.00 0.19 5.19 -1.89 -2.26 116.42 117.65 2i9h h ASP 62 Ca 0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 2i9h h ASP 62 Cb 1.94 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.44 2i9h h ASP 62 CO -0.00 0.07 -0.10 0.58 -3.12 0.00 0.00 179.24 176.67 2i9h h VAL 63 N 0.00 0.75 -0.62 -1.35 2.07 -0.10 -0.18 116.25 116.82 2i9h h VAL 63 Ca -0.00 -1.59 0.18 0.00 0.82 0.00 0.00 66.70 66.11 2i9h h VAL 63 Cb 0.18 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2i9h h VAL 63 CO 0.01 0.25 0.59 0.00 0.02 0.00 0.00 177.57 178.45 2i9h h ALA 64 N -0.58 2.41 0.09 1.67 0.00 -1.54 0.11 119.26 121.41 2i9h h ALA 64 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2i9h h ALA 64 Cb 0.49 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2i9h h ALA 64 CO -0.01 -0.91 -1.92 1.04 0.00 0.00 0.00 179.25 177.45 2i9h n GLN 65 N -3.79 0.72 -0.04 0.00 3.00 -0.86 0.14 117.38 116.56 2i9h n GLN 65 Ca 0.12 0.27 -0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2i9h n GLN 65 Cb 0.82 -1.73 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2i9h h LYS 66 N 0.05 0.25 0.00 -1.09 2.10 0.11 -0.77 116.57 117.22 2i9h h LYS 66 Ca -0.39 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2i9h h LYS 66 Cb 2.03 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 2i9h h LYS 66 CO 0.09 0.16 0.00 0.09 -2.00 0.00 0.00 179.45 177.79 2i9h n ASN 67 N -4.96 0.00 -2.52 7.07 3.02 -0.57 -4.90 115.26 112.39 2i9h n ASN 67 Ca -0.03 -0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.19 2i9h n ASN 67 Cb 0.03 -0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.00 2i9h n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2i9h n GLU 68 N -1.26 -5.07 -3.75 3.52 1.02 -0.30 -5.00 120.64 109.81 2i9h n GLU 68 Ca 0.14 0.54 -0.36 0.00 -0.02 0.00 0.00 57.16 57.46 2i9h n GLU 68 Cb 0.21 -4.70 -0.11 0.00 -0.02 0.00 0.00 31.44 26.82 2i9h n GLU 68 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i9h s VAL 69 N -3.21 3.44 -0.29 2.62 1.01 0.38 -4.91 120.40 119.45 2i9h s VAL 69 Ca 0.33 -2.27 0.09 0.00 0.00 0.00 0.00 61.98 60.13 2i9h s VAL 69 Cb -0.14 -3.33 0.51 0.00 0.00 0.00 0.00 36.38 33.42 2i9h s VAL 69 CO 0.47 -0.74 1.48 -1.54 0.00 0.00 0.00 175.10 174.77 2i9h n SER 70 N 4.33 2.65 -3.19 3.32 3.41 -1.26 -4.52 113.62 118.36 2i9h n SER 70 Ca -0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 2i9h n SER 70 Cb 0.40 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9h n ALA 71 N -1.07 0.00 -2.69 7.33 0.00 -1.26 -5.05 120.51 117.77 2i9h n ALA 71 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 2i9h n ALA 71 Cb 1.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.52 2i9h n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h n MET 72 N 0.00 0.19 0.00 0.00 0.00 -1.26 -4.37 117.12 111.68 2i9h n MET 72 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 57.70 56.67 2i9h n MET 72 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 33.22 33.02 2i9h n MET 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2i9h n PRO 73 N 2.61 3.25 -3.73 3.17 -0.04 -1.26 -4.84 135.00 134.16 2i9h n PRO 73 Ca 0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2i9h n PRO 73 Cb 0.63 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.01 2i9h n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i9h s THR 74 N 2.14 0.03 -0.21 0.52 2.01 -1.26 -3.31 115.64 115.56 2i9h s THR 74 Ca 0.00 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 2i9h s THR 74 Cb 0.00 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2i9h s THR 74 CO 0.00 -0.16 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.00 2i9h s LEU 75 N -0.87 3.13 -0.13 4.42 1.43 -0.07 -1.36 118.68 125.24 2i9h s LEU 75 Ca -0.09 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2i9h s LEU 75 Cb -0.04 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2i9h s LEU 75 CO 0.04 0.03 -0.22 -0.76 0.23 0.00 0.00 176.35 175.67 2i9h s LEU 76 N 1.21 2.09 0.05 1.79 1.43 0.69 0.62 118.68 126.56 2i9h s LEU 76 Ca 0.03 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2i9h s LEU 76 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2i9h s LEU 76 CO 0.00 0.09 -0.03 -0.76 0.23 0.00 0.00 176.35 175.88 2i9h s LEU 77 N 0.74 3.33 -0.14 1.79 1.02 0.50 -0.01 118.68 125.92 2i9h s LEU 77 Ca -0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 2i9h s LEU 77 Cb -0.16 -2.01 0.06 0.00 0.02 0.00 0.00 46.19 44.10 2i9h s LEU 77 CO -0.00 0.22 0.31 -0.36 0.02 0.00 0.00 176.35 176.54 2i9h s PHE 78 N -1.17 -0.47 -0.04 0.29 0.08 -0.61 -3.17 117.98 112.89 2i9h s PHE 78 Ca 0.22 1.03 0.05 0.00 0.12 0.00 0.00 56.93 58.34 2i9h s PHE 78 Cb -0.11 0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.42 2i9h s PHE 78 CO 0.13 -0.31 -0.17 0.15 -0.10 0.00 0.00 175.22 174.92 2i9h s LYS 79 N 1.69 2.40 -1.34 0.44 1.02 -1.10 -1.07 119.74 121.78 2i9h s LYS 79 Ca -0.06 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 2i9h s LYS 79 Cb -0.10 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.91 2i9h s LYS 79 CO -0.10 0.61 0.53 0.09 -0.92 0.00 0.00 175.35 175.55 2i9h n ASN 80 N 2.31 -1.44 -1.43 2.83 4.13 -1.17 -0.02 115.26 120.47 2i9h n ASN 80 Ca -0.17 -0.99 -0.17 0.00 1.68 0.00 0.00 54.58 54.93 2i9h n ASN 80 Cb 0.52 -3.21 -0.07 0.00 -1.54 0.00 0.00 39.78 35.48 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i9h n GLY 81 N -1.88 1.64 0.00 7.41 0.00 0.77 -4.06 105.19 109.06 2i9h n GLY 81 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2i9h n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9h n LYS 82 N -2.01 3.50 -3.79 1.61 5.02 0.98 -4.65 118.16 118.80 2i9h n LYS 82 Ca -0.17 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.87 2i9h n LYS 82 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2i9h n LYS 82 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2i9h s GLU 83 N 1.42 2.28 0.00 1.97 2.12 -1.26 -2.71 118.70 122.52 2i9h s GLU 83 Ca 0.00 -1.95 0.00 0.00 0.36 0.00 0.00 54.97 53.38 2i9h s GLU 83 Cb 0.00 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2i9h s GLU 83 CO 0.00 -0.60 0.00 1.33 -0.54 0.00 0.00 175.26 175.45 2i9h n VAL 84 N -1.78 0.00 -3.82 3.70 0.24 -1.19 -3.62 118.33 111.86 2i9h n VAL 84 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2i9h n VAL 84 Cb 0.64 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i9h s ALA 85 N -1.79 -1.30 -0.30 2.33 0.00 -1.23 -5.03 121.76 114.44 2i9h s ALA 85 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 2i9h s ALA 85 Cb 0.00 0.72 0.17 0.00 0.00 0.00 0.00 23.12 24.01 2i9h s ALA 85 CO 0.00 -1.03 0.97 -1.59 0.00 0.00 0.00 175.76 174.10 2i9h s LYS 86 N -2.85 0.29 -0.30 0.00 -2.85 -1.26 -0.37 119.74 112.39 2i9h s LYS 86 Ca 0.15 0.63 0.02 0.00 -1.00 0.00 0.00 55.97 55.78 2i9h s LYS 86 Cb -0.04 0.37 0.08 0.00 -2.06 0.00 0.00 37.83 36.19 2i9h s LYS 86 CO 0.06 -0.19 0.01 0.54 0.10 0.00 0.00 175.35 175.87 2i9h s VAL 87 N 2.66 1.90 -0.84 1.79 0.11 0.20 -4.95 120.40 121.27 2i9h s VAL 87 Ca 0.01 -1.86 -0.26 0.00 -2.93 0.00 0.00 61.98 56.94 2i9h s VAL 87 Cb -0.08 -2.29 -0.16 0.00 -1.53 0.00 0.00 36.38 32.32 2i9h s VAL 87 CO -0.16 -0.41 2.36 0.55 -3.33 0.00 0.00 175.10 174.12 2i9h n VAL 88 N 4.45 0.00 0.00 2.04 3.14 -1.26 -0.89 118.33 125.81 2i9h n VAL 88 Ca -0.03 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 2i9h n VAL 88 Cb 0.42 -1.99 0.00 0.00 -1.06 0.00 0.00 33.84 31.21 2i9h n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i9h n GLY 89 N 6.69 -0.46 0.00 7.55 0.00 -1.21 -4.85 105.19 112.91 2i9h n GLY 89 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2i9h n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9h n ALA 90 N -0.07 0.00 -1.78 4.61 0.00 -1.26 -4.09 120.51 117.92 2i9h n ALA 90 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2i9h n ALA 90 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2i9h n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i9h s ASN 91 N 0.00 7.04 0.56 0.00 2.20 -1.26 -4.69 114.94 118.78 2i9h s ASN 91 Ca 0.00 2.46 0.18 0.00 -0.94 0.00 0.00 52.86 54.56 2i9h s ASN 91 Cb 0.00 -2.64 1.01 0.00 -2.00 0.00 0.00 41.25 37.62 2i9h s ASN 91 CO 0.00 -0.33 1.53 -0.65 -2.94 0.00 0.00 177.10 174.71 2i9h h PRO 92 N 3.71 0.00 -0.63 3.55 0.11 -2.01 0.28 132.00 137.00 2i9h h PRO 92 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2i9h h PRO 92 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2i9h h PRO 92 CO 0.67 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.56 2i9h n ALA 93 N -1.70 4.15 0.21 -0.75 0.00 -1.26 -4.44 120.51 116.72 2i9h n ALA 93 Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.32 2i9h n ALA 93 Cb 0.50 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2i9h n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h n ALA 94 N 0.30 1.26 0.17 0.00 0.00 0.91 -4.78 120.51 118.37 2i9h n ALA 94 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.83 2i9h n ALA 94 Cb 1.27 0.00 0.34 0.00 0.00 0.00 0.00 19.45 21.06 2i9h n ALA 94 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2i9h h ILE 95 N 0.00 0.00 0.09 0.00 6.09 -1.62 0.80 117.51 122.87 2i9h h ILE 95 Ca 0.00 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 63.13 2i9h h ILE 95 Cb 0.00 0.28 -0.03 0.00 0.47 0.00 0.00 36.82 37.54 2i9h h ILE 95 CO 0.00 0.00 -2.05 2.29 -3.07 0.00 0.00 178.15 175.32 2i9h n LYS 96 N -2.06 0.72 0.09 2.19 -0.00 -1.26 -3.82 118.16 114.01 2i9h n LYS 96 Ca -0.01 0.27 -0.08 0.00 -0.00 0.00 0.00 58.31 58.49 2i9h n LYS 96 Cb 0.37 -1.67 -0.01 0.00 -0.00 0.00 0.00 35.03 33.72 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2i9h h GLN 97 N -0.05 0.15 -0.20 -1.58 4.20 -0.81 -2.49 115.11 114.33 2i9h h GLN 97 Ca -0.46 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.06 2i9h h GLN 97 Cb 1.94 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.76 2i9h h GLN 97 CO 0.02 0.93 0.00 0.00 -0.67 0.00 0.00 178.83 179.12 2i9h h ALA 98 N 1.00 1.64 0.00 3.87 0.00 0.24 -0.34 119.26 125.68 2i9h h ALA 98 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2i9h h ALA 98 Cb 1.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2i9h h ALA 98 CO 0.13 0.27 -0.69 -0.89 0.00 0.00 0.00 179.25 178.07 2i9h n ILE 99 N -4.38 0.21 0.00 0.00 5.41 -1.18 -3.68 119.36 115.74 2i9h n ILE 99 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2i9h n ILE 99 Cb 0.18 0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 2i9h n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i9h n ALA 100 N -1.74 0.00 -0.26 -1.39 0.00 -0.60 -2.52 120.51 114.00 2i9h n ALA 100 Ca 0.04 -0.10 0.33 0.00 0.00 0.00 0.00 53.44 53.70 2i9h n ALA 100 Cb 0.41 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.59 2i9h n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h h ALA 101 N -2.00 3.00 0.17 0.00 0.00 -1.34 0.17 119.26 119.27 2i9h h ALA 101 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2i9h h ALA 101 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2i9h h ALA 101 CO 0.00 -1.37 -1.48 -0.91 0.00 0.00 0.00 179.25 175.49 2i9h h ASN 102 N 0.00 0.58 0.00 0.00 -0.26 -1.72 -3.51 115.58 110.66 2i9h h ASN 102 Ca 0.51 -0.91 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 2i9h h ASN 102 Cb 2.14 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 39.21 2i9h h ASN 102 CO -0.01 1.67 0.00 0.00 -1.06 0.00 0.00 177.43 178.04