#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 -0.00 0.13 3.17 1.01 -1.26 -4.37 120.40 119.08 2i9h s VAL 2 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2i9h s VAL 2 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2i9h s VAL 2 CO 0.00 0.01 0.32 -0.89 0.00 0.00 0.00 175.10 174.54 2i9h s THR 3 N 0.71 0.09 0.46 3.92 2.01 -1.18 -5.04 115.64 116.61 2i9h s THR 3 Ca -0.03 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.03 2i9h s THR 3 Cb -0.05 -1.46 0.08 0.00 0.01 0.00 0.00 72.50 71.07 2i9h s THR 3 CO -0.05 -0.39 0.63 0.00 -0.69 0.00 0.00 174.62 174.12 2i9h n GLN 4 N -0.19 0.69 -4.30 4.92 -0.00 -1.26 -0.51 117.38 116.74 2i9h n GLN 4 Ca -0.12 -2.49 -0.24 0.00 -0.00 0.00 0.00 57.00 54.15 2i9h n GLN 4 Cb 0.63 -0.18 -0.12 0.00 -0.00 0.00 0.00 30.24 30.57 2i9h n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2i9h s PHE 5 N -1.87 1.82 0.00 2.61 0.08 -0.84 -4.68 117.98 115.10 2i9h s PHE 5 Ca 0.48 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.11 2i9h s PHE 5 Cb -0.04 -0.99 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 2i9h s PHE 5 CO 0.30 0.23 0.00 1.63 -0.10 0.00 0.00 175.22 177.28 2i9h n LYS 6 N 0.99 0.64 -4.37 0.44 4.76 -1.26 -3.49 118.16 115.86 2i9h n LYS 6 Ca -0.19 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.01 2i9h n LYS 6 Cb 0.54 -0.79 -0.09 0.00 -1.84 0.00 0.00 35.03 32.85 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 -1.57 2.63 0.11 -0.18 2.01 -1.26 -4.54 115.64 112.83 2i9h s THR 7 Ca 0.00 -2.04 0.13 0.00 0.31 0.00 0.00 61.69 60.09 2i9h s THR 7 Cb 0.00 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 2i9h s THR 7 CO 0.00 -0.23 1.52 0.00 -0.69 0.00 0.00 174.62 175.21 2i9h h ALA 8 N 1.88 0.74 0.00 7.40 0.00 -1.98 -2.99 119.26 124.31 2i9h h ALA 8 Ca -0.43 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2i9h h ALA 8 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2i9h h ALA 8 CO 0.66 0.79 0.00 0.43 0.00 0.00 0.00 179.25 181.13 2i9h n SER 9 N -3.48 0.33 -0.00 0.00 7.64 -1.26 -1.38 113.62 115.47 2i9h n SER 9 Ca 0.00 0.62 -0.00 0.00 1.01 0.00 0.00 58.87 60.50 2i9h n SER 9 Cb 0.70 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.00 -0.18 1.43 5.08 -1.95 -3.39 114.58 115.57 2i9h h GLU 10 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2i9h h GLU 10 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2i9h h GLU 10 CO 0.00 0.00 0.20 0.35 -1.00 0.00 0.00 179.01 178.56 2i9h h PHE 11 N -0.07 0.00 -0.78 4.33 3.57 -1.63 -1.79 116.94 120.57 2i9h h PHE 11 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2i9h h PHE 11 Cb 0.03 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 2i9h h PHE 11 CO -0.01 0.00 0.46 0.22 -2.23 0.00 0.00 178.31 176.74 2i9h h ASP 12 N 0.00 0.69 1.36 0.41 3.58 -1.43 -1.84 116.42 119.20 2i9h h ASP 12 Ca 0.09 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 2i9h h ASP 12 Cb 0.48 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2i9h h ASP 12 CO -0.00 0.43 -0.66 0.28 -2.88 0.00 0.00 179.24 176.41 2i9h h SER 13 N 0.82 0.00 -0.49 2.28 0.02 -1.51 -3.09 113.55 111.57 2i9h h SER 13 Ca 0.36 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.36 2i9h h SER 13 Cb 0.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2i9h h SER 13 CO -0.20 0.48 0.23 0.00 -1.14 0.00 0.00 176.83 176.20 2i9h h ALA 14 N 1.52 0.62 0.01 3.77 0.00 -1.11 -3.17 119.26 120.89 2i9h h ALA 14 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 14 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2i9h h ALA 14 CO 0.06 -0.13 -0.09 -0.84 0.00 0.00 0.00 179.25 178.25 2i9h h ILE 15 N 0.45 1.76 -0.26 0.00 3.07 -1.63 -3.41 117.51 117.50 2i9h h ILE 15 Ca 0.22 -2.36 -0.47 0.00 1.55 0.00 0.00 64.86 63.80 2i9h h ILE 15 Cb 0.16 3.36 -0.08 0.00 -0.27 0.00 0.00 36.82 39.99 2i9h h ILE 15 CO -0.17 0.61 1.73 0.00 -1.05 0.00 0.00 178.15 179.27 2i9h n ALA 16 N -2.63 0.45 -3.05 0.16 0.00 -1.17 0.28 120.51 114.55 2i9h n ALA 16 Ca -0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 2i9h n ALA 16 Cb 0.51 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 8.28 -1.22 -1.94 0.00 6.02 -1.26 -4.66 117.38 122.60 2i9h n GLN 17 Ca 0.61 1.36 -0.01 0.00 -0.01 0.00 0.00 57.00 58.95 2i9h n GLN 17 Cb 0.13 -2.20 0.05 0.00 1.02 0.00 0.00 30.24 29.24 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 1.19 -0.62 0.00 1.08 2.03 -1.19 -4.88 116.55 114.16 2i9h n ASP 18 Ca -0.01 -1.49 0.00 0.00 0.52 0.00 0.00 54.79 53.81 2i9h n ASP 18 Cb 0.35 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2i9h n ASP 18 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2i9h n LYS 19 N -0.64 0.00 -3.45 -0.67 4.01 -1.26 -4.53 118.16 111.62 2i9h n LYS 19 Ca -0.08 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.32 2i9h n LYS 19 Cb 0.65 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.07 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2i9h s LEU 20 N 0.00 4.40 -0.15 -0.35 2.96 -1.26 -2.78 118.68 121.51 2i9h s LEU 20 Ca 0.00 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2i9h s LEU 20 Cb 0.00 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2i9h s LEU 20 CO 0.00 -0.28 0.08 -0.69 -1.32 0.00 0.00 176.35 174.14 2i9h s VAL 21 N 1.92 4.93 -0.76 1.68 1.01 -0.95 -2.21 120.40 126.02 2i9h s VAL 21 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2i9h s VAL 21 Cb -0.17 -3.18 0.19 0.00 0.00 0.00 0.00 36.38 33.23 2i9h s VAL 21 CO 0.11 0.53 0.71 -0.69 0.00 0.00 0.00 175.10 175.75 2i9h s VAL 22 N -0.22 5.50 -0.24 2.92 1.01 0.15 -3.13 120.40 126.39 2i9h s VAL 22 Ca 0.08 -2.21 -0.11 0.00 0.00 0.00 0.00 61.98 59.75 2i9h s VAL 22 Cb -0.12 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2i9h s VAL 22 CO 0.01 -1.00 0.16 -0.69 0.00 0.00 0.00 175.10 173.59 2i9h s VAL 23 N 0.58 5.36 -0.19 2.92 1.01 -0.85 -2.25 120.40 126.98 2i9h s VAL 23 Ca 0.14 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2i9h s VAL 23 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2i9h s VAL 23 CO -0.06 0.35 0.13 -0.62 0.00 0.00 0.00 175.10 174.90 2i9h s ASP 24 N 1.02 6.22 -0.80 3.32 2.15 -1.14 -1.10 116.67 126.35 2i9h s ASP 24 Ca 0.08 0.25 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 2i9h s ASP 24 Cb -0.13 -2.09 0.32 0.00 -0.30 0.00 0.00 42.92 40.72 2i9h s ASP 24 CO 0.04 0.19 2.11 0.49 -0.17 0.00 0.00 175.17 177.83 2i9h n PHE 25 N 3.44 2.84 -1.60 -5.34 3.01 -0.44 0.17 117.46 119.54 2i9h n PHE 25 Ca -0.16 -2.31 -0.44 0.00 1.01 0.00 0.00 57.45 55.54 2i9h n PHE 25 Cb 0.52 -1.22 -0.01 0.00 -0.01 0.00 0.00 39.48 38.75 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 -0.41 1.40 -1.80 1.38 0.18 -1.24 -4.24 117.16 112.44 2i9h n TYR 26 Ca 0.54 0.68 -0.40 0.00 1.88 0.00 0.00 57.90 60.60 2i9h n TYR 26 Cb 0.29 -2.27 0.01 0.00 -0.38 0.00 0.00 39.34 36.99 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 -1.03 3.32 -0.82 -3.48 0.00 -1.26 -3.43 121.76 115.06 2i9h s ALA 27 Ca 0.59 1.49 0.16 0.00 0.00 0.00 0.00 51.96 54.20 2i9h s ALA 27 Cb -0.69 -3.60 0.70 0.00 0.00 0.00 0.00 23.12 19.54 2i9h s ALA 27 CO 0.60 -1.16 1.51 -2.37 0.00 0.00 0.00 175.76 174.34 2i9h n THR 28 N -0.04 1.01 -0.07 0.00 5.66 -1.26 -3.54 114.28 116.04 2i9h n THR 28 Ca 0.04 0.27 -0.13 0.00 -3.05 0.00 0.00 64.05 61.19 2i9h n THR 28 Cb 0.41 -1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 68.03 2i9h n THR 28 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2i9h n TRP 29 N -1.74 0.00 -1.45 1.09 4.27 -1.26 -4.99 117.44 113.35 2i9h n TRP 29 Ca 0.03 0.00 -0.48 0.00 -3.89 0.00 0.00 57.50 53.16 2i9h n TRP 29 Cb 0.17 -0.52 -0.03 0.00 -1.36 0.00 0.00 31.31 29.57 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 1.81 -0.93 0.52 0.00 0.00 -1.26 -4.27 105.19 101.06 2i9h n GLY 31 Ca 0.16 -0.09 0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.00 0.00 0.00 1.61 0.11 -1.96 0.68 132.00 131.43 2i9h h PRO 32 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2i9h h PRO 32 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2i9h h PRO 32 CO -0.06 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.70 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.57 0.16 -2.83 116.57 115.47 2i9h h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i9h h LYS 34 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2i9h h LYS 34 CO 0.00 0.65 0.00 -1.33 -0.57 0.00 0.00 179.45 178.20 2i9h n MET 35 N -3.71 0.94 0.07 3.15 2.81 -0.97 -3.26 117.12 116.15 2i9h n MET 35 Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 2i9h n MET 35 Cb 0.65 -1.20 -0.07 0.00 -0.71 0.00 0.00 33.22 31.89 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 1.07 -0.74 2.02 2.04 -1.62 -3.35 117.51 116.94 2i9h h ILE 36 Ca 0.00 -2.63 0.16 0.00 1.00 0.00 0.00 64.86 63.39 2i9h h ILE 36 Cb 0.00 2.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.46 2i9h h ILE 36 CO 0.00 0.61 0.17 0.00 0.00 0.00 0.00 178.15 178.93 2i9h h ALA 37 N 1.26 0.95 -0.18 1.87 0.00 -1.75 0.66 119.26 122.07 2i9h h ALA 37 Ca -0.07 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2i9h h ALA 37 Cb 1.63 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2i9h h ALA 37 CO 0.08 -0.34 -0.62 -1.00 0.00 0.00 0.00 179.25 177.37 2i9h h PRO 38 N 0.26 0.65 0.28 0.00 0.13 -1.85 -3.00 132.00 128.47 2i9h h PRO 38 Ca 0.42 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2i9h h PRO 38 Cb 0.71 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2i9h h PRO 38 CO -0.51 1.07 -0.13 1.98 -0.23 0.00 0.00 178.00 180.17 2i9h h MET 39 N 0.48 -0.36 -1.16 0.86 -1.53 -1.28 -1.65 114.93 110.28 2i9h h MET 39 Ca -0.01 0.02 0.34 0.00 -3.44 0.00 0.00 59.70 56.61 2i9h h MET 39 Cb 1.20 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 32.29 2i9h h MET 39 CO 0.12 -0.16 0.87 0.82 0.14 0.00 0.00 176.91 178.71 2i9h h ILE 40 N -0.49 0.36 0.10 1.77 2.04 0.25 0.82 117.51 122.35 2i9h h ILE 40 Ca -0.04 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.56 2i9h h ILE 40 Cb 0.37 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2i9h h ILE 40 CO 0.06 0.00 -1.16 -0.08 0.00 0.00 0.00 178.15 176.98 2i9h h GLU 41 N 0.00 0.35 0.00 2.37 4.81 -1.19 -3.20 114.58 117.72 2i9h h GLU 41 Ca 0.55 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2i9h h GLU 41 Cb 2.29 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.85 2i9h h GLU 41 CO -0.01 1.20 -0.01 0.87 -0.73 0.00 0.00 179.01 180.34 2i9h h LYS 42 N 0.14 0.00 0.00 1.92 1.79 0.15 -1.03 116.57 119.54 2i9h h LYS 42 Ca -0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2i9h h LYS 42 Cb 1.85 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.50 2i9h h LYS 42 CO 0.20 0.01 -1.03 1.19 -1.08 0.00 0.00 179.45 178.73 2i9h n PHE 43 N -3.36 0.97 0.95 -1.35 3.01 -1.07 -3.78 117.46 112.83 2i9h n PHE 43 Ca -0.03 0.28 0.10 0.00 1.01 0.00 0.00 57.45 58.82 2i9h n PHE 43 Cb 0.09 -0.97 0.52 0.00 -0.01 0.00 0.00 39.48 39.12 2i9h n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2i9h n SER 44 N -2.69 0.00 -0.01 4.37 3.41 -0.39 -2.15 113.62 116.15 2i9h n SER 44 Ca -0.01 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.62 2i9h n SER 44 Cb 0.56 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 2i9h n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i9h n GLU 45 N -1.33 0.63 -0.02 4.33 -0.58 -1.23 -2.83 120.64 119.61 2i9h n GLU 45 Ca 0.09 0.29 -0.08 0.00 -0.42 0.00 0.00 57.16 57.04 2i9h n GLU 45 Cb 0.19 -1.80 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i9h n GLN 46 N -3.03 0.63 -2.27 3.49 6.02 -1.10 -4.37 117.38 116.75 2i9h n GLN 46 Ca -0.16 0.28 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 2i9h n GLN 46 Cb 1.02 -1.79 0.02 0.00 1.02 0.00 0.00 30.24 30.51 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 -3.02 2.74 -0.64 1.08 4.01 -0.92 -4.88 117.16 115.53 2i9h n TYR 47 Ca -0.17 -2.52 0.49 0.00 -0.16 0.00 0.00 57.90 55.53 2i9h n TYR 47 Cb 1.04 -0.25 0.76 0.00 -0.31 0.00 0.00 39.34 40.59 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 -0.59 -0.01 -0.25 -0.72 -0.02 -1.13 0.13 135.00 132.41 2i9h n PRO 48 Ca 0.37 1.09 -0.01 0.00 -2.02 0.00 0.00 63.50 62.93 2i9h n PRO 48 Cb 0.85 -2.42 0.20 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.06 -6.38 -0.52 4.20 -1.90 -3.42 115.11 108.15 2i9h h GLN 49 Ca 0.90 -0.09 -0.55 0.00 0.06 0.00 0.00 58.65 58.97 2i9h h GLN 49 Cb 3.45 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 30.97 2i9h h GLN 49 CO -0.12 0.74 -0.08 0.00 -0.67 0.00 0.00 178.83 178.70 2i9h s ALA 50 N -5.81 3.56 0.22 3.87 0.00 0.34 -4.74 121.76 119.21 2i9h s ALA 50 Ca -0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2i9h s ALA 50 Cb 0.17 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 2i9h s ALA 50 CO 0.80 0.46 0.58 -0.51 0.00 0.00 0.00 175.76 177.08 2i9h s ASP 51 N -1.91 6.70 -0.35 0.00 1.11 -0.94 -4.93 116.67 116.35 2i9h s ASP 51 Ca 0.41 1.02 0.02 0.00 0.18 0.00 0.00 52.55 54.18 2i9h s ASP 51 Cb -0.14 -2.27 0.11 0.00 1.07 0.00 0.00 42.92 41.69 2i9h s ASP 51 CO 0.20 -0.05 0.10 -0.36 1.18 0.00 0.00 175.17 176.24 2i9h s PHE 52 N -1.75 2.81 0.35 4.23 0.40 -1.26 0.33 117.98 123.08 2i9h s PHE 52 Ca 0.46 -2.50 0.02 0.00 -0.60 0.00 0.00 56.93 54.31 2i9h s PHE 52 Cb -0.12 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.05 2i9h s PHE 52 CO 0.20 -0.89 0.16 0.66 0.70 0.00 0.00 175.22 176.05 2i9h n TYR 53 N 4.32 -0.25 -4.25 0.36 4.01 -0.95 -3.09 117.16 117.31 2i9h n TYR 53 Ca 0.02 -1.56 -0.14 0.00 -0.16 0.00 0.00 57.90 56.06 2i9h n TYR 53 Cb 0.41 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 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 -3.36 1.15 -0.13 -0.72 1.02 0.34 -2.88 119.74 115.16 2i9h s LYS 54 Ca 0.12 -1.57 -0.01 0.00 0.02 0.00 0.00 55.97 54.54 2i9h s LYS 54 Cb -0.01 -0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.08 2i9h s LYS 54 CO 0.08 -0.16 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.14 2i9h s LEU 55 N -3.19 1.24 -0.16 3.17 1.98 0.44 -1.99 118.68 120.18 2i9h s LEU 55 Ca 0.26 -0.45 -0.29 0.00 -2.89 0.00 0.00 54.13 50.76 2i9h s LEU 55 Cb 0.06 -0.77 -0.03 0.00 0.66 0.00 0.00 46.19 46.11 2i9h s LEU 55 CO 0.05 -0.18 1.54 -0.62 -1.89 0.00 0.00 176.35 175.26 2i9h s ASP 56 N 1.74 6.60 0.00 3.68 2.15 -1.23 -3.66 116.67 125.96 2i9h s ASP 56 Ca 0.03 1.81 0.18 0.00 0.43 0.00 0.00 52.55 55.00 2i9h s ASP 56 Cb -0.14 -2.53 0.85 0.00 -0.30 0.00 0.00 42.92 40.79 2i9h s ASP 56 CO -0.07 -1.04 1.58 0.52 -0.17 0.00 0.00 175.17 175.99 2i9h n VAL 57 N 5.89 0.62 -0.09 1.11 0.31 -1.22 -0.87 118.33 124.08 2i9h n VAL 57 Ca 0.17 0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2i9h n VAL 57 Cb 0.44 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2i9h n ASP 58 N -1.42 1.90 0.05 4.52 2.03 -1.26 -3.28 116.55 119.09 2i9h n ASP 58 Ca 0.06 0.32 -0.01 0.00 0.52 0.00 0.00 54.79 55.68 2i9h n ASP 58 Cb 0.19 -0.72 0.26 0.00 -0.72 0.00 0.00 41.12 40.13 2i9h n ASP 58 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2i9h h GLU 59 N -0.95 0.39 -0.77 -0.67 4.57 -1.90 -3.12 114.58 112.13 2i9h h GLU 59 Ca -0.03 -0.13 -0.54 0.00 -1.18 0.00 0.00 59.36 57.48 2i9h h GLU 59 Cb 0.98 -0.03 -0.43 0.00 -0.16 0.00 0.00 28.75 29.11 2i9h h GLU 59 CO -0.02 0.59 -0.82 1.28 -1.18 0.00 0.00 179.01 178.86 2i9h n LEU 60 N -4.16 4.84 0.32 1.64 4.32 -0.05 -4.80 117.00 119.11 2i9h n LEU 60 Ca -0.00 -4.73 0.19 0.00 -0.02 0.00 0.00 56.01 51.45 2i9h n LEU 60 Cb 0.37 -0.33 0.99 0.00 -1.62 0.00 0.00 43.42 42.83 2i9h n LEU 60 CO 0.41 2.09 1.16 1.23 -1.22 0.00 0.00 177.39 181.05 2i9h h GLY 61 N 2.20 0.00 1.01 -0.72 0.00 -1.53 -1.52 103.07 102.51 2i9h h GLY 61 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 2i9h h GLY 61 CO 0.75 0.00 0.30 -0.55 0.00 0.00 0.00 176.54 177.04 2i9h h ASP 62 N 0.00 0.89 -0.12 0.19 5.19 -1.87 -2.30 116.42 118.39 2i9h h ASP 62 Ca 0.01 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 2i9h h ASP 62 Cb 0.37 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2i9h h ASP 62 CO -0.00 0.78 -0.11 0.58 -3.12 0.00 0.00 179.24 177.37 2i9h h VAL 63 N 0.93 1.35 -0.37 -1.35 2.07 -1.65 0.29 116.25 117.51 2i9h h VAL 63 Ca 0.23 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.60 2i9h h VAL 63 Cb 0.15 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2i9h h VAL 63 CO -0.03 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.33 2i9h h ALA 64 N 0.60 2.07 0.10 1.67 0.00 -1.52 -0.88 119.26 121.30 2i9h h ALA 64 Ca 0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 2i9h h ALA 64 Cb 0.63 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2i9h h ALA 64 CO 0.03 -0.59 -1.90 0.94 0.00 0.00 0.00 179.25 177.72 2i9h n GLN 65 N -3.75 0.73 -0.08 0.00 7.27 -0.88 0.18 117.38 120.85 2i9h n GLN 65 Ca 0.06 0.31 -0.07 0.00 0.07 0.00 0.00 57.00 57.37 2i9h n GLN 65 Cb 0.57 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2i9h h LYS 66 N -0.11 0.13 -0.00 3.69 2.10 0.90 0.52 116.57 123.79 2i9h h LYS 66 Ca -0.42 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2i9h h LYS 66 Cb 1.92 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 2i9h h LYS 66 CO 0.03 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 177.66 2i9h n ASN 67 N -5.12 0.05 -2.69 7.07 3.02 -0.63 -4.89 115.26 112.06 2i9h n ASN 67 Ca 0.00 -1.11 -0.18 0.00 -0.03 0.00 0.00 54.58 53.26 2i9h n ASN 67 Cb 0.14 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.91 -5.42 -3.58 3.52 1.02 0.17 -4.98 120.64 110.46 2i9h n GLU 68 Ca 0.22 0.64 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 2i9h n GLU 68 Cb 0.11 -5.05 -0.08 0.00 -0.02 0.00 0.00 31.44 26.41 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 -3.18 4.29 -0.19 2.62 1.01 0.48 -4.86 120.40 120.56 2i9h s VAL 69 Ca 0.39 -2.48 0.16 0.00 0.00 0.00 0.00 61.98 60.05 2i9h s VAL 69 Cb -0.17 -3.77 0.48 0.00 0.00 0.00 0.00 36.38 32.93 2i9h s VAL 69 CO 0.48 -0.88 1.38 -1.54 0.00 0.00 0.00 175.10 174.54 2i9h n SER 70 N 4.05 3.40 -3.11 3.32 3.41 -1.25 -4.42 113.62 119.02 2i9h n SER 70 Ca 0.04 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 2i9h n SER 70 Cb 0.41 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.77 0.00 -2.83 7.33 0.00 -1.26 -5.06 120.51 117.92 2i9h n ALA 71 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2i9h n ALA 71 Cb 0.87 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.33 2i9h n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h s MET 72 N 0.00 0.38 0.00 0.00 0.23 -1.26 -4.36 119.30 114.29 2i9h s MET 72 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.45 2i9h s MET 72 Cb 0.00 0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 2i9h s MET 72 CO 0.00 -0.53 0.00 -0.35 -2.03 0.00 0.00 175.02 172.11 2i9h n PRO 73 N 3.55 3.07 -3.66 3.16 -0.04 -1.26 -4.85 135.00 134.96 2i9h n PRO 73 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2i9h n PRO 73 Cb 0.62 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 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 1.94 0.03 -0.21 0.52 2.01 -1.26 -4.18 115.64 114.48 2i9h s THR 74 Ca 0.00 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 2i9h s THR 74 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2i9h s THR 74 CO 0.00 -0.12 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.04 2i9h s LEU 75 N -0.97 3.09 -0.12 4.42 1.43 -1.15 -1.32 118.68 124.05 2i9h s LEU 75 Ca -0.10 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2i9h s LEU 75 Cb -0.03 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2i9h s LEU 75 CO 0.06 0.02 -0.18 -0.76 0.23 0.00 0.00 176.35 175.71 2i9h s LEU 76 N 1.27 2.41 -0.11 1.79 1.43 -0.26 -1.17 118.68 124.04 2i9h s LEU 76 Ca 0.03 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2i9h s LEU 76 Cb -0.14 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2i9h s LEU 76 CO -0.00 0.15 -0.05 -0.76 0.23 0.00 0.00 176.35 175.92 2i9h s LEU 77 N 0.43 3.21 -0.05 1.79 1.02 -1.11 -2.01 118.68 121.95 2i9h s LEU 77 Ca -0.13 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 53.94 2i9h s LEU 77 Cb -0.17 -1.74 0.03 0.00 0.02 0.00 0.00 46.19 44.33 2i9h s LEU 77 CO 0.06 0.27 -0.00 -0.36 0.02 0.00 0.00 176.35 176.34 2i9h s PHE 78 N -0.27 0.55 -0.16 0.29 0.08 -1.18 -1.89 117.98 115.40 2i9h s PHE 78 Ca 0.04 -0.10 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2i9h s PHE 78 Cb -0.13 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2i9h s PHE 78 CO 0.02 -0.24 -0.08 0.15 -0.10 0.00 0.00 175.22 174.97 2i9h s LYS 79 N 1.56 3.46 -0.97 0.44 1.02 -1.15 -2.25 119.74 121.86 2i9h s LYS 79 Ca -0.02 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 2i9h s LYS 79 Cb -0.13 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2i9h s LYS 79 CO -0.03 0.10 0.73 0.09 -0.92 0.00 0.00 175.35 175.32 2i9h n ASN 80 N 3.91 -5.84 -1.88 2.83 4.13 -1.12 -1.35 115.26 115.95 2i9h n ASN 80 Ca -0.18 -0.78 -0.11 0.00 1.68 0.00 0.00 54.58 55.19 2i9h n ASN 80 Cb 0.52 -3.48 -0.03 0.00 -1.54 0.00 0.00 39.78 35.25 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 -1.68 0.27 0.00 7.41 0.00 0.79 -4.25 105.19 107.73 2i9h n GLY 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.25 2.21 -3.76 1.61 5.02 -0.45 -4.68 118.16 115.86 2i9h n LYS 82 Ca -0.12 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.93 2i9h n LYS 82 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 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 1.30 2.35 0.23 1.97 2.12 -1.26 -2.91 118.70 122.50 2i9h s GLU 83 Ca 0.00 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.52 2i9h s GLU 83 Cb 0.00 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2i9h s GLU 83 CO 0.00 -0.43 0.00 0.28 -0.54 0.00 0.00 175.26 174.57 2i9h n VAL 84 N -1.66 0.00 -2.93 3.70 0.31 -0.79 -3.56 118.33 113.40 2i9h n VAL 84 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2i9h n VAL 84 Cb 0.63 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i9h n ALA 85 N -3.07 0.00 -3.60 3.52 0.00 -1.23 -5.03 120.51 111.10 2i9h n ALA 85 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2i9h n ALA 85 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2i9h n ALA 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2i9h s LYS 86 N -0.27 0.51 -0.52 0.00 0.00 -1.26 -2.76 119.74 115.43 2i9h s LYS 86 Ca 0.00 1.03 0.04 0.00 0.00 0.00 0.00 55.97 57.05 2i9h s LYS 86 Cb 0.00 0.35 0.17 0.00 0.00 0.00 0.00 37.83 38.35 2i9h s LYS 86 CO 0.00 -0.13 0.40 0.08 0.00 0.00 0.00 175.35 175.69 2i9h s VAL 87 N 2.00 1.33 -0.67 1.79 1.01 -0.31 -5.01 120.40 120.53 2i9h s VAL 87 Ca -0.07 -3.26 -0.26 0.00 0.00 0.00 0.00 61.98 58.38 2i9h s VAL 87 Cb -0.06 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2i9h s VAL 87 CO -0.18 -1.14 1.71 0.54 0.00 0.00 0.00 175.10 176.03 2i9h s VAL 88 N -0.50 3.46 0.00 2.92 0.11 -1.26 -2.95 120.40 122.18 2i9h s VAL 88 Ca 0.29 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 2i9h s VAL 88 Cb -0.00 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 2i9h s VAL 88 CO -0.18 -1.17 0.00 0.61 -3.33 0.00 0.00 175.10 171.03 2i9h n GLY 89 N 5.72 0.22 4.01 6.54 0.00 -1.26 -4.90 105.19 115.52 2i9h n GLY 89 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -1.30 -1.74 4.61 0.00 -1.22 -4.87 120.51 116.00 2i9h n ALA 90 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2i9h n ALA 90 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 19.45 15.32 2i9h n ALA 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i9h n ASN 91 N -2.78 3.85 -0.03 0.00 3.02 -1.26 -4.63 115.26 113.42 2i9h n ASN 91 Ca 0.04 1.13 0.24 0.00 -0.03 0.00 0.00 54.58 55.96 2i9h n ASN 91 Cb 0.52 -1.58 0.62 0.00 -0.61 0.00 0.00 39.78 38.73 2i9h n ASN 91 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2i9h h PRO 92 N 5.09 0.00 -0.31 3.52 0.11 -2.00 0.64 132.00 139.06 2i9h h PRO 92 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2i9h h PRO 92 Cb 1.22 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2i9h h PRO 92 CO 0.82 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.56 2i9h n ALA 93 N -2.29 3.84 0.10 -0.75 0.00 -1.26 -4.59 120.51 115.56 2i9h n ALA 93 Ca 0.14 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2i9h n ALA 93 Cb 0.99 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.97 3.00 0.05 0.00 0.00 0.21 -4.66 120.51 118.14 2i9h n ALA 94 Ca 0.29 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.76 2i9h n ALA 94 Cb 0.98 0.04 0.13 0.00 0.00 0.00 0.00 19.45 20.60 2i9h n ALA 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2i9h n ILE 95 N -3.25 1.26 -0.08 0.00 0.13 -0.45 -0.07 119.36 116.90 2i9h n ILE 95 Ca 0.00 0.57 -0.06 0.00 -1.10 0.00 0.00 62.75 62.16 2i9h n ILE 95 Cb 0.02 -1.57 -0.02 0.00 -0.84 0.00 0.00 39.64 37.22 2i9h n ILE 95 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2i9h n LYS 96 N -1.60 0.47 0.05 9.51 5.02 -1.26 -4.16 118.16 126.19 2i9h n LYS 96 Ca -0.00 0.47 0.02 0.00 -2.02 0.00 0.00 58.31 56.78 2i9h n LYS 96 Cb 0.16 -1.65 0.36 0.00 -0.02 0.00 0.00 35.03 33.88 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2i9h h GLN 97 N -1.00 0.40 -0.34 1.97 4.20 -1.67 -1.97 115.11 116.70 2i9h h GLN 97 Ca -0.02 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.69 2i9h h GLN 97 Cb 0.64 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2i9h h GLN 97 CO -0.01 0.43 0.23 0.00 -0.67 0.00 0.00 178.83 178.82 2i9h h ALA 98 N 1.61 2.15 -0.00 3.87 0.00 -0.70 0.15 119.26 126.35 2i9h h ALA 98 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2i9h h ALA 98 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i9h h ALA 98 CO 0.01 -0.23 -0.42 -0.89 0.00 0.00 0.00 179.25 177.71 2i9h n ILE 99 N -4.47 0.00 0.00 0.00 -0.00 -0.76 -3.61 119.36 110.52 2i9h n ILE 99 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2i9h n ILE 99 Cb 0.32 0.31 0.00 0.00 -0.00 0.00 0.00 39.64 40.27 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 -1.21 0.00 -0.03 -1.39 0.00 0.49 -2.69 120.51 115.68 2i9h n ALA 100 Ca 0.08 -0.09 0.21 0.00 0.00 0.00 0.00 53.44 53.64 2i9h n ALA 100 Cb 0.34 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.48 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 2.55 0.00 0.00 0.00 -1.65 -1.97 119.26 116.18 2i9h h ALA 101 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 101 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2i9h h ALA 101 CO 0.00 -0.71 -0.00 -0.91 0.00 0.00 0.00 179.25 177.63 2i9h h ASN 102 N 0.00 -0.00 -0.03 0.00 4.21 -1.76 -3.52 115.58 114.48 2i9h h ASN 102 Ca 0.28 -0.87 0.00 0.00 1.21 0.00 0.00 56.30 56.92 2i9h h ASN 102 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2i9h h ASN 102 CO -0.00 0.87 0.00 0.00 -1.29 0.00 0.00 177.43 177.00