#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 0.40 0.17 3.17 1.01 -1.26 -4.30 120.40 119.59 2i9h s VAL 2 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2i9h s VAL 2 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2i9h s VAL 2 CO 0.00 -0.06 0.35 -0.89 0.00 0.00 0.00 175.10 174.51 2i9h s THR 3 N -0.51 0.06 0.43 3.92 2.01 -1.21 -5.04 115.64 115.29 2i9h s THR 3 Ca -0.02 -1.20 0.05 0.00 0.31 0.00 0.00 61.69 60.83 2i9h s THR 3 Cb -0.04 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.78 2i9h s THR 3 CO -0.00 -0.26 0.44 0.00 -0.69 0.00 0.00 174.62 174.11 2i9h n GLN 4 N -0.25 0.80 -4.48 4.92 3.00 -1.26 0.14 117.38 120.25 2i9h n GLN 4 Ca -0.08 -2.50 -0.23 0.00 -0.01 0.00 0.00 57.00 54.17 2i9h n GLN 4 Cb 0.63 0.08 -0.16 0.00 0.00 0.00 0.00 30.24 30.79 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 -1.92 1.24 -0.02 1.08 0.08 0.11 -4.67 117.98 113.88 2i9h s PHE 5 Ca 0.33 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 57.04 2i9h s PHE 5 Cb -0.03 -0.92 -0.09 0.00 -0.57 0.00 0.00 43.02 41.41 2i9h s PHE 5 CO 0.21 -0.22 0.14 1.63 -0.10 0.00 0.00 175.22 176.88 2i9h n LYS 6 N 3.71 0.31 -3.83 0.44 4.76 -1.26 -3.14 118.16 119.15 2i9h n LYS 6 Ca -0.22 -0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.04 2i9h n LYS 6 Cb 0.52 -1.13 -0.14 0.00 -1.84 0.00 0.00 35.03 32.44 2i9h n LYS 6 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2i9h s THR 7 N -2.40 -0.02 0.56 -0.18 -4.23 -1.26 -4.63 115.64 103.48 2i9h s THR 7 Ca -0.02 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 60.85 2i9h s THR 7 Cb 0.04 -0.09 0.43 0.00 1.34 0.00 0.00 72.50 74.22 2i9h s THR 7 CO 0.25 0.03 1.91 0.00 -0.54 0.00 0.00 174.62 176.26 2i9h h ALA 8 N 6.44 2.54 0.00 3.99 0.00 -1.96 0.69 119.26 130.96 2i9h h ALA 8 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2i9h h ALA 8 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2i9h h ALA 8 CO 0.48 -0.89 0.03 0.77 0.00 0.00 0.00 179.25 179.64 2i9h h SER 9 N 0.00 0.00 0.20 0.00 0.02 -2.00 -0.52 113.55 111.24 2i9h h SER 9 Ca 0.32 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.92 2i9h h SER 9 Cb 1.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 2i9h h SER 9 CO -0.00 0.00 -1.95 1.21 -1.14 0.00 0.00 176.83 174.95 2i9h n GLU 10 N -3.03 0.73 -0.35 3.45 4.07 0.24 -4.02 120.64 121.72 2i9h n GLU 10 Ca -0.03 0.27 0.05 0.00 -0.06 0.00 0.00 57.16 57.38 2i9h n GLU 10 Cb 0.10 -1.72 0.19 0.00 -0.06 0.00 0.00 31.44 29.95 2i9h n GLU 10 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2i9h n PHE 11 N -3.39 0.84 -0.06 4.31 7.35 -0.62 -3.95 117.46 121.95 2i9h n PHE 11 Ca -0.29 -0.32 -0.22 0.00 -0.76 0.00 0.00 57.45 55.86 2i9h n PHE 11 Cb 1.05 -0.18 -0.13 0.00 0.35 0.00 0.00 39.48 40.57 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 2.13 0.18 1.63 -2.13 3.58 -1.27 -3.38 116.42 117.15 2i9h h ASP 12 Ca 0.00 -0.69 -0.07 0.00 0.42 0.00 0.00 57.03 56.69 2i9h h ASP 12 Cb 0.95 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2i9h h ASP 12 CO 0.15 1.64 -0.33 -1.28 -2.88 0.00 0.00 179.24 176.54 2i9h h SER 13 N -0.57 0.00 -0.22 2.28 0.87 -1.78 -2.82 113.55 111.31 2i9h h SER 13 Ca -0.38 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 2i9h h SER 13 Cb 1.60 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.51 2i9h h SER 13 CO -0.09 0.33 -0.09 0.00 -0.53 0.00 0.00 176.83 176.46 2i9h h ALA 14 N 1.67 0.11 0.00 6.23 0.00 -1.74 -3.23 119.26 122.31 2i9h h ALA 14 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2i9h h ALA 14 Cb 1.23 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2i9h h ALA 14 CO 0.04 -0.50 -0.40 -0.84 0.00 0.00 0.00 179.25 177.55 2i9h h ILE 15 N -0.05 1.52 -0.00 0.00 3.07 -1.73 -3.40 117.51 116.91 2i9h h ILE 15 Ca 0.12 -2.29 -0.44 0.00 1.55 0.00 0.00 64.86 63.80 2i9h h ILE 15 Cb 0.22 3.02 -0.10 0.00 -0.27 0.00 0.00 36.82 39.69 2i9h h ILE 15 CO -0.26 0.51 1.88 0.00 -1.05 0.00 0.00 178.15 179.24 2i9h n ALA 16 N -2.87 0.67 -3.25 0.16 0.00 -1.06 0.29 120.51 114.45 2i9h n ALA 16 Ca -0.17 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.55 2i9h n ALA 16 Cb 0.54 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 7.15 -1.04 -2.53 0.00 6.02 -1.26 -4.63 117.38 121.09 2i9h n GLN 17 Ca 0.67 1.04 -0.02 0.00 -0.01 0.00 0.00 57.00 58.68 2i9h n GLN 17 Cb 0.08 -1.41 0.11 0.00 1.02 0.00 0.00 30.24 30.04 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 0.59 -1.31 0.00 1.08 -0.08 -1.15 -4.89 116.55 110.79 2i9h n ASP 18 Ca -0.04 -2.08 0.00 0.00 -1.51 0.00 0.00 54.79 51.15 2i9h n ASP 18 Cb 0.57 0.63 0.00 0.00 2.34 0.00 0.00 41.12 44.66 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 -1.33 0.00 -3.46 -0.67 4.01 -1.26 -4.60 118.16 110.86 2i9h n LYS 19 Ca -0.15 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.25 2i9h n LYS 19 Cb 0.83 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.25 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 4.37 -0.15 -0.35 2.96 -1.26 -3.16 118.68 121.09 2i9h s LEU 20 Ca 0.00 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2i9h s LEU 20 Cb 0.00 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2i9h s LEU 20 CO 0.00 -0.26 0.07 -0.69 -1.32 0.00 0.00 176.35 174.16 2i9h s VAL 21 N 1.91 4.93 -0.77 1.68 1.01 -0.95 -2.19 120.40 126.01 2i9h s VAL 21 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2i9h s VAL 21 Cb -0.17 -3.17 0.20 0.00 0.00 0.00 0.00 36.38 33.24 2i9h s VAL 21 CO 0.11 0.53 0.72 -0.69 0.00 0.00 0.00 175.10 175.77 2i9h s VAL 22 N -0.26 5.50 -0.24 2.92 1.01 0.45 -3.00 120.40 126.78 2i9h s VAL 22 Ca 0.09 -2.23 -0.11 0.00 0.00 0.00 0.00 61.98 59.73 2i9h s VAL 22 Cb -0.12 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2i9h s VAL 22 CO 0.01 -1.01 0.17 -0.69 0.00 0.00 0.00 175.10 173.59 2i9h s VAL 23 N 0.56 5.35 -0.21 2.92 1.01 -0.48 -2.42 120.40 127.12 2i9h s VAL 23 Ca 0.15 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2i9h s VAL 23 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2i9h s VAL 23 CO -0.06 0.33 0.14 -0.62 0.00 0.00 0.00 175.10 174.88 2i9h s ASP 24 N 1.15 6.20 -0.78 3.32 -1.08 -1.20 0.13 116.67 124.41 2i9h s ASP 24 Ca 0.08 0.21 -0.02 0.00 -0.52 0.00 0.00 52.55 52.30 2i9h s ASP 24 Cb -0.14 -2.09 0.33 0.00 -1.46 0.00 0.00 42.92 39.56 2i9h s ASP 24 CO 0.05 0.16 2.10 0.49 0.52 0.00 0.00 175.17 178.50 2i9h n PHE 25 N 3.65 2.87 -1.60 -5.34 3.01 -0.09 0.13 117.46 120.09 2i9h n PHE 25 Ca -0.16 -2.37 -0.48 0.00 1.01 0.00 0.00 57.45 55.45 2i9h n PHE 25 Cb 0.52 -1.24 -0.04 0.00 -0.01 0.00 0.00 39.48 38.71 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 -0.45 1.53 -1.45 1.38 0.18 -1.25 -4.31 117.16 112.80 2i9h n TYR 26 Ca 0.54 0.61 -0.35 0.00 1.88 0.00 0.00 57.90 60.59 2i9h n TYR 26 Cb 0.32 -2.33 0.10 0.00 -0.38 0.00 0.00 39.34 37.05 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 -0.16 2.12 -2.00 -3.48 0.00 -1.26 -3.47 121.76 113.51 2i9h s ALA 27 Ca 0.72 1.01 0.21 0.00 0.00 0.00 0.00 51.96 53.90 2i9h s ALA 27 Cb -0.80 -3.52 1.25 0.00 0.00 0.00 0.00 23.12 20.06 2i9h s ALA 27 CO 0.51 -1.91 1.71 -2.37 0.00 0.00 0.00 175.76 173.70 2i9h n THR 28 N -2.58 0.00 0.00 0.00 5.66 -1.26 -4.74 114.28 111.36 2i9h n THR 28 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 2i9h n THR 28 Cb 0.49 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 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 -0.89 0.00 0.00 1.09 4.27 -1.26 -4.97 117.44 115.68 2i9h n TRP 29 Ca 0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 2i9h n TRP 29 Cb 0.07 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.02 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 0.00 1.24 2.10 0.00 0.00 -1.26 -4.96 105.19 102.31 2i9h n GLY 31 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2i9h n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i9h n PRO 32 N 0.00 1.87 -0.03 1.61 -0.04 -1.26 -3.79 135.00 133.36 2i9h n PRO 32 Ca 0.00 -0.97 -0.02 0.00 -0.04 0.00 0.00 63.50 62.46 2i9h n PRO 32 Cb 0.00 -2.01 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.79 -1.92 -3.16 116.57 113.28 2i9h h LYS 34 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2i9h h LYS 34 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2i9h h LYS 34 CO 0.01 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.05 2i9h n MET 35 N -2.44 0.74 0.09 3.15 2.81 -1.26 -2.85 117.12 117.35 2i9h n MET 35 Ca 0.05 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2i9h n MET 35 Cb 0.45 -1.29 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.89 -0.85 2.02 2.04 -1.85 -3.36 117.51 116.39 2i9h h ILE 36 Ca 0.00 -2.37 0.22 0.00 1.00 0.00 0.00 64.86 63.71 2i9h h ILE 36 Cb 0.00 2.37 -0.14 0.00 -0.74 0.00 0.00 36.82 38.31 2i9h h ILE 36 CO 0.00 0.51 0.17 0.00 0.00 0.00 0.00 178.15 178.83 2i9h h ALA 37 N 1.37 1.14 -0.11 1.87 0.00 -1.78 0.88 119.26 122.63 2i9h h ALA 37 Ca -0.07 0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 37 Cb 1.54 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2i9h h ALA 37 CO 0.07 -0.45 -0.71 -1.00 0.00 0.00 0.00 179.25 177.16 2i9h h PRO 38 N 0.18 0.52 0.23 0.00 0.13 -1.84 -2.96 132.00 128.27 2i9h h PRO 38 Ca 0.51 -0.41 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2i9h h PRO 38 Cb 1.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2i9h h PRO 38 CO -0.66 1.04 -0.11 1.98 -0.23 0.00 0.00 178.00 180.01 2i9h h MET 39 N 0.36 -0.30 -1.30 0.86 1.85 -1.02 -2.07 114.93 113.32 2i9h h MET 39 Ca -0.03 0.02 0.38 0.00 -0.61 0.00 0.00 59.70 59.46 2i9h h MET 39 Cb 1.29 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 33.34 2i9h h MET 39 CO 0.13 -0.02 0.93 0.82 -0.40 0.00 0.00 176.91 178.36 2i9h h ILE 40 N -0.58 0.35 0.04 1.77 2.04 0.64 0.81 117.51 122.58 2i9h h ILE 40 Ca -0.03 -0.01 -0.25 0.00 1.00 0.00 0.00 64.86 65.57 2i9h h ILE 40 Cb 0.42 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2i9h h ILE 40 CO 0.05 0.00 -1.05 -0.08 0.00 0.00 0.00 178.15 177.07 2i9h h GLU 41 N 0.02 0.47 -0.00 2.37 4.81 -1.26 -3.18 114.58 117.82 2i9h h GLU 41 Ca 0.62 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2i9h h GLU 41 Cb 2.45 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 32.00 2i9h h GLU 41 CO -0.03 1.20 0.00 0.87 -0.73 0.00 0.00 179.01 180.32 2i9h h LYS 42 N 0.24 0.00 0.00 1.92 1.57 0.13 -0.19 116.57 120.24 2i9h h LYS 42 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2i9h h LYS 42 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 2i9h h LYS 42 CO 0.19 0.00 -0.83 1.19 -0.57 0.00 0.00 179.45 179.43 2i9h n PHE 43 N -3.48 0.63 0.97 -1.35 3.01 -1.08 -3.78 117.46 112.39 2i9h n PHE 43 Ca -0.03 0.18 0.11 0.00 1.01 0.00 0.00 57.45 58.72 2i9h n PHE 43 Cb 0.08 -0.71 0.54 0.00 -0.01 0.00 0.00 39.48 39.37 2i9h n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i9h n SER 44 N -2.26 0.00 0.00 4.37 2.88 -0.08 -2.40 113.62 116.13 2i9h n SER 44 Ca 0.02 0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.63 2i9h n SER 44 Cb 0.47 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.48 2i9h n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2i9h n GLU 45 N -1.34 0.63 -0.00 -1.46 2.13 -1.24 -2.91 120.64 116.44 2i9h n GLU 45 Ca 0.09 0.26 -0.05 0.00 0.66 0.00 0.00 57.16 58.12 2i9h n GLU 45 Cb 0.20 -1.80 -0.12 0.00 0.27 0.00 0.00 31.44 29.99 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2i9h n GLN 46 N -2.97 0.63 -2.29 5.31 6.02 -1.12 -4.35 117.38 118.61 2i9h n GLN 46 Ca -0.13 0.26 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 2i9h n GLN 46 Cb 0.95 -1.79 0.02 0.00 1.02 0.00 0.00 30.24 30.43 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 -2.97 2.73 -0.65 1.08 4.01 -1.01 -4.88 117.16 115.47 2i9h n TYR 47 Ca -0.14 -2.55 0.50 0.00 -0.16 0.00 0.00 57.90 55.55 2i9h n TYR 47 Cb 0.97 -0.25 0.78 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 -0.58 -0.01 -0.20 -0.72 -0.02 -1.15 0.14 135.00 132.46 2i9h n PRO 48 Ca 0.37 1.12 -0.02 0.00 -2.02 0.00 0.00 63.50 62.95 2i9h n PRO 48 Cb 0.84 -2.48 0.18 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.97 -6.43 -0.52 1.08 -1.90 -3.42 115.11 104.89 2i9h h GLN 49 Ca 0.92 -0.14 -0.54 0.00 -1.45 0.00 0.00 58.65 57.44 2i9h h GLN 49 Cb 3.52 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 30.74 2i9h h GLN 49 CO -0.13 0.76 -0.07 0.00 -0.95 0.00 0.00 178.83 178.44 2i9h s ALA 50 N -5.52 3.54 0.32 3.87 0.00 0.37 -4.75 121.76 119.58 2i9h s ALA 50 Ca -0.11 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 2i9h s ALA 50 Cb 0.16 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 2i9h s ALA 50 CO 0.80 0.46 0.63 -0.51 0.00 0.00 0.00 175.76 177.14 2i9h s ASP 51 N -2.06 6.52 -0.40 0.00 1.11 -0.93 -4.93 116.67 115.98 2i9h s ASP 51 Ca 0.44 0.90 0.02 0.00 0.18 0.00 0.00 52.55 54.09 2i9h s ASP 51 Cb -0.13 -2.22 0.12 0.00 1.07 0.00 0.00 42.92 41.76 2i9h s ASP 51 CO 0.20 -0.24 0.18 -0.36 1.18 0.00 0.00 175.17 176.13 2i9h s PHE 52 N -2.12 2.19 0.55 4.23 0.40 -1.26 -0.41 117.98 121.55 2i9h s PHE 52 Ca 0.47 -2.35 0.06 0.00 -0.60 0.00 0.00 56.93 54.52 2i9h s PHE 52 Cb -0.11 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.45 2i9h s PHE 52 CO 0.28 -0.83 0.50 0.71 0.70 0.00 0.00 175.22 176.59 2i9h s TYR 53 N 0.72 1.57 0.02 0.36 2.02 -1.02 -3.32 117.35 117.71 2i9h s TYR 53 Ca 0.15 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 2i9h s TYR 53 Cb -0.22 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2i9h s TYR 53 CO -0.08 -0.64 -0.03 0.15 -1.57 0.00 0.00 175.55 173.38 2i9h s LYS 54 N -4.38 0.28 -0.06 -0.62 1.02 0.37 -3.22 119.74 113.13 2i9h s LYS 54 Ca 0.41 -0.46 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 2i9h s LYS 54 Cb -0.03 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2i9h s LYS 54 CO 0.25 -0.01 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.48 2i9h s LEU 55 N -1.04 3.44 -0.33 3.17 1.98 0.36 0.06 118.68 126.31 2i9h s LEU 55 Ca -0.10 0.06 -0.16 0.00 -2.89 0.00 0.00 54.13 51.04 2i9h s LEU 55 Cb -0.07 -1.81 -0.01 0.00 0.66 0.00 0.00 46.19 44.95 2i9h s LEU 55 CO -0.00 0.36 0.43 -0.62 -1.89 0.00 0.00 176.35 174.62 2i9h s ASP 56 N -0.99 6.25 0.00 3.68 2.15 -1.19 -3.85 116.67 122.73 2i9h s ASP 56 Ca 0.14 -0.05 0.27 0.00 0.43 0.00 0.00 52.55 53.34 2i9h s ASP 56 Cb -0.11 -2.23 1.51 0.00 -0.30 0.00 0.00 42.92 41.79 2i9h s ASP 56 CO 0.03 -0.37 1.93 0.52 -0.17 0.00 0.00 175.17 177.12 2i9h n VAL 57 N 5.29 0.06 -0.11 1.11 0.31 -1.23 -0.51 118.33 123.25 2i9h n VAL 57 Ca -0.07 0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.09 2i9h n VAL 57 Cb 0.49 -0.59 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.09 2.08 0.06 4.52 -0.08 -1.26 -3.90 116.55 116.87 2i9h n ASP 58 Ca 0.18 0.03 -0.22 0.00 -1.51 0.00 0.00 54.79 53.26 2i9h n ASP 58 Cb 0.13 -0.46 -0.15 0.00 2.34 0.00 0.00 41.12 42.98 2i9h n ASP 58 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2i9h h GLU 59 N -0.29 0.37 -1.21 -0.67 4.57 -1.90 -3.37 114.58 112.08 2i9h h GLU 59 Ca -0.52 -0.63 -0.63 0.00 -1.18 0.00 0.00 59.36 56.40 2i9h h GLU 59 Cb 1.66 0.24 -0.36 0.00 -0.16 0.00 0.00 28.75 30.12 2i9h h GLU 59 CO -0.17 1.29 -0.04 1.28 -1.18 0.00 0.00 179.01 180.19 2i9h n LEU 60 N -3.57 6.05 0.12 1.64 4.32 0.34 -4.76 117.00 121.14 2i9h n LEU 60 Ca -0.25 -4.75 0.17 0.00 -0.02 0.00 0.00 56.01 51.15 2i9h n LEU 60 Cb 1.07 -0.66 0.74 0.00 -1.62 0.00 0.00 43.42 42.95 2i9h n LEU 60 CO 0.50 1.91 1.15 1.23 -1.22 0.00 0.00 177.39 180.97 2i9h h GLY 61 N 2.37 0.00 2.00 -0.72 0.00 -1.67 0.25 103.07 105.29 2i9h h GLY 61 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2i9h h GLY 61 CO 1.11 0.00 -0.11 -0.55 0.00 0.00 0.00 176.54 176.99 2i9h h ASP 62 N 0.00 0.00 0.10 0.19 5.19 -1.90 -2.07 116.42 117.93 2i9h h ASP 62 Ca 0.15 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.41 2i9h h ASP 62 Cb 0.67 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.19 2i9h h ASP 62 CO -0.00 0.11 -0.65 0.58 -3.12 0.00 0.00 179.24 176.17 2i9h h VAL 63 N 0.00 1.55 -0.05 -1.35 2.07 -1.32 -1.37 116.25 115.78 2i9h h VAL 63 Ca -0.00 -2.43 0.01 0.00 0.82 0.00 0.00 66.70 65.10 2i9h h VAL 63 Cb 0.21 3.14 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2i9h h VAL 63 CO 0.01 0.68 0.09 0.00 0.02 0.00 0.00 177.57 178.38 2i9h h ALA 64 N 0.11 1.39 0.10 1.67 0.00 -1.37 -1.33 119.26 119.83 2i9h h ALA 64 Ca -0.11 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 2i9h h ALA 64 Cb 1.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2i9h h ALA 64 CO 0.12 -0.12 -1.94 1.04 0.00 0.00 0.00 179.25 178.36 2i9h n GLN 65 N -3.45 0.74 -0.08 0.00 1.13 -0.80 0.15 117.38 115.07 2i9h n GLN 65 Ca -0.02 0.27 -0.09 0.00 -1.94 0.00 0.00 57.00 55.22 2i9h n GLN 65 Cb 0.18 -1.73 -0.02 0.00 0.11 0.00 0.00 30.24 28.78 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2i9h h LYS 66 N 0.06 0.38 0.00 -1.09 2.10 -0.18 -1.03 116.57 116.80 2i9h h LYS 66 Ca -0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2i9h h LYS 66 Cb 2.03 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 2i9h h LYS 66 CO 0.09 0.29 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 2i9h n ASN 67 N -4.86 0.00 -2.48 7.07 3.02 -0.67 -4.89 115.26 112.45 2i9h n ASN 67 Ca -0.02 -0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.10 2i9h n ASN 67 Cb 0.05 -0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.22 -5.03 -3.75 3.52 1.02 -0.39 -5.00 120.64 109.79 2i9h n GLU 68 Ca 0.15 0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 57.46 2i9h n GLU 68 Cb 0.19 -4.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.77 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 3.69 0.00 2.62 1.01 0.40 -4.89 120.40 120.06 2i9h s VAL 69 Ca 0.37 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2i9h s VAL 69 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2i9h s VAL 69 CO 0.45 -0.30 0.37 -0.24 0.00 0.00 0.00 175.10 175.39 2i9h n SER 70 N 4.78 0.74 -3.95 3.32 2.88 -1.26 -4.40 113.62 115.73 2i9h n SER 70 Ca -0.11 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2i9h n SER 70 Cb 0.44 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9h n ALA 71 N -0.17 0.00 -3.15 -1.46 0.00 -1.26 -4.92 120.51 109.56 2i9h n ALA 71 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2i9h n ALA 71 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.13 0.00 0.00 0.23 -1.26 -4.09 119.30 114.31 2i9h s MET 72 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 55.69 54.80 2i9h s MET 72 Cb 0.00 0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 2i9h s MET 72 CO 0.00 -0.24 0.00 -0.35 -2.03 0.00 0.00 175.02 172.40 2i9h n PRO 73 N 5.13 1.56 -3.58 3.16 -0.04 -1.26 -4.90 135.00 135.07 2i9h n PRO 73 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2i9h n PRO 73 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.65 0.01 -0.19 0.52 2.01 -1.26 -4.20 115.64 113.17 2i9h s THR 74 Ca 0.00 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2i9h s THR 74 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2i9h s THR 74 CO 0.00 -0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.05 2i9h s LEU 75 N -0.72 2.71 -0.12 4.42 1.43 -1.02 -0.91 118.68 124.48 2i9h s LEU 75 Ca -0.08 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2i9h s LEU 75 Cb -0.02 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2i9h s LEU 75 CO 0.07 0.04 -0.18 -0.76 0.23 0.00 0.00 176.35 175.74 2i9h s LEU 76 N 1.10 2.41 -0.04 1.79 1.43 0.12 -0.84 118.68 124.66 2i9h s LEU 76 Ca 0.01 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2i9h s LEU 76 Cb -0.15 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2i9h s LEU 76 CO -0.02 0.16 -0.05 -0.76 0.23 0.00 0.00 176.35 175.91 2i9h s LEU 77 N 0.36 3.27 -0.08 1.79 1.02 0.83 -1.39 118.68 124.48 2i9h s LEU 77 Ca -0.15 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 53.93 2i9h s LEU 77 Cb -0.17 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.29 2i9h s LEU 77 CO 0.07 0.33 0.16 -0.36 0.02 0.00 0.00 176.35 176.57 2i9h s PHE 78 N -0.92 -0.18 -0.05 0.29 0.08 -1.16 -2.82 117.98 113.22 2i9h s PHE 78 Ca 0.15 0.55 0.06 0.00 0.12 0.00 0.00 56.93 57.81 2i9h s PHE 78 Cb -0.11 -0.13 -0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2i9h s PHE 78 CO 0.05 -0.21 -0.23 0.15 -0.10 0.00 0.00 175.22 174.88 2i9h s LYS 79 N 1.57 2.48 -1.10 0.44 1.02 -1.02 -2.23 119.74 120.91 2i9h s LYS 79 Ca -0.05 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 2i9h s LYS 79 Cb -0.12 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2i9h s LYS 79 CO -0.06 0.45 0.80 0.09 -0.92 0.00 0.00 175.35 175.70 2i9h n ASN 80 N 2.77 -5.57 -2.01 2.83 3.02 -1.19 -1.13 115.26 113.98 2i9h n ASN 80 Ca -0.17 -0.94 -0.11 0.00 -0.03 0.00 0.00 54.58 53.33 2i9h n ASN 80 Cb 0.52 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.11 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i9h n GLY 81 N -1.65 0.07 0.00 7.41 0.00 0.82 -4.24 105.19 107.61 2i9h n GLY 81 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.36 1.53 -3.77 1.61 5.02 -0.29 -4.68 118.16 115.23 2i9h n LYS 82 Ca -0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 2i9h n LYS 82 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.52 2i9h n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2i9h n GLU 83 N 0.00 0.67 0.00 1.97 2.13 -1.26 -2.42 120.64 121.72 2i9h n GLU 83 Ca 0.00 -3.43 0.00 0.00 0.66 0.00 0.00 57.16 54.39 2i9h n GLU 83 Cb 0.00 0.32 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2i9h n GLU 83 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2i9h n VAL 84 N -1.83 0.00 -3.50 6.31 0.24 -1.13 -3.63 118.33 114.80 2i9h n VAL 84 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2i9h n VAL 84 Cb 0.63 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.90 -1.80 -0.13 2.33 0.00 -1.23 -5.04 121.76 113.99 2i9h s ALA 85 Ca 0.00 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 2i9h s ALA 85 Cb 0.00 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2i9h s ALA 85 CO 0.00 -0.58 0.07 -1.59 0.00 0.00 0.00 175.76 173.66 2i9h s LYS 86 N -2.55 0.16 -0.46 0.00 -2.85 -1.26 -0.12 119.74 112.65 2i9h s LYS 86 Ca 0.01 0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.02 2i9h s LYS 86 Cb -0.01 -1.44 0.13 0.00 -2.06 0.00 0.00 37.83 34.46 2i9h s LYS 86 CO -0.05 -0.54 0.23 0.08 0.10 0.00 0.00 175.35 175.17 2i9h s VAL 87 N 2.09 1.87 -0.99 1.79 1.01 -0.02 -5.02 120.40 121.13 2i9h s VAL 87 Ca 0.03 -2.76 -0.26 0.00 0.00 0.00 0.00 61.98 58.98 2i9h s VAL 87 Cb -0.15 -2.31 -0.18 0.00 0.00 0.00 0.00 36.38 33.74 2i9h s VAL 87 CO -0.07 -0.83 2.19 0.54 0.00 0.00 0.00 175.10 176.93 2i9h s VAL 88 N 0.21 3.09 0.00 2.92 0.11 -1.26 -2.42 120.40 123.05 2i9h s VAL 88 Ca 0.17 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2i9h s VAL 88 Cb -0.24 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2i9h s VAL 88 CO -0.02 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2i9h n GLY 89 N 6.37 2.59 2.09 6.54 0.00 -1.26 -4.82 105.19 116.71 2i9h n GLY 89 Ca 0.43 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 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 5.60 -2.28 4.61 0.00 -1.26 -4.38 120.51 122.80 2i9h n ALA 90 Ca 0.00 -2.57 -0.42 0.00 0.00 0.00 0.00 53.44 50.45 2i9h n ALA 90 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 2i9h n ALA 90 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2i9h s ASN 91 N -0.90 7.09 -0.72 0.00 -0.87 -1.26 -4.77 114.94 113.50 2i9h s ASN 91 Ca 0.49 2.09 -0.13 0.00 -1.57 0.00 0.00 52.86 53.74 2i9h s ASN 91 Cb 0.39 -2.59 -0.20 0.00 -0.02 0.00 0.00 41.25 38.83 2i9h s ASN 91 CO 0.01 -0.43 1.92 -2.65 -2.57 0.00 0.00 177.10 173.39 2i9h n PRO 92 N 3.41 0.13 0.00 -0.60 -0.02 -1.26 -2.38 135.00 134.27 2i9h n PRO 92 Ca 0.07 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 2i9h n PRO 92 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2i9h n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i9h n ALA 93 N 9.88 0.00 -0.03 3.55 0.00 -1.26 -5.01 120.51 127.64 2i9h n ALA 93 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2i9h n ALA 93 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 2.34 0.16 0.00 0.00 -1.00 -4.36 120.51 117.64 2i9h n ALA 94 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.26 2i9h n ALA 94 Cb 0.00 0.40 0.40 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.08 0.70 -0.10 0.00 0.13 -1.25 0.10 119.36 115.86 2i9h n ILE 95 Ca -0.12 0.74 -0.23 0.00 -1.10 0.00 0.00 62.75 62.04 2i9h n ILE 95 Cb 0.60 -1.74 -0.11 0.00 -0.84 0.00 0.00 39.64 37.54 2i9h n ILE 95 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 2i9h n LYS 96 N -2.08 0.58 0.09 9.51 2.85 -1.26 -3.84 118.16 124.01 2i9h n LYS 96 Ca -0.01 0.53 -0.05 0.00 -1.05 0.00 0.00 58.31 57.72 2i9h n LYS 96 Cb 0.27 -1.72 0.09 0.00 -0.65 0.00 0.00 35.03 33.02 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2i9h h GLN 97 N -0.95 0.19 -0.02 -1.58 4.20 -1.42 -2.61 115.11 112.92 2i9h h GLN 97 Ca -0.39 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 2i9h h GLN 97 Cb 1.38 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 2i9h h GLN 97 CO -0.22 0.80 -0.05 0.00 -0.67 0.00 0.00 178.83 178.69 2i9h h ALA 98 N 1.16 1.87 0.00 3.87 0.00 0.50 -0.04 119.26 126.62 2i9h h ALA 98 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2i9h h ALA 98 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i9h h ALA 98 CO 0.10 0.10 -0.76 -0.89 0.00 0.00 0.00 179.25 177.80 2i9h n ILE 99 N -4.46 0.30 0.00 0.00 5.41 -1.13 -3.66 119.36 115.82 2i9h n ILE 99 Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.46 2i9h n ILE 99 Cb 0.14 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 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 -1.83 0.00 -0.17 -1.39 0.00 -0.42 -2.55 120.51 114.15 2i9h n ALA 100 Ca 0.03 -0.12 0.29 0.00 0.00 0.00 0.00 53.44 53.63 2i9h n ALA 100 Cb 0.44 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.61 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 2.79 0.04 0.00 0.00 -1.30 -0.73 119.26 118.06 2i9h h ALA 101 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2i9h h ALA 101 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2i9h h ALA 101 CO 0.00 -1.17 -0.62 -0.91 0.00 0.00 0.00 179.25 176.55 2i9h h ASN 102 N 0.00 0.12 0.00 0.00 4.21 -1.72 -3.51 115.58 114.68 2i9h h ASN 102 Ca 0.43 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2i9h h ASN 102 Cb 1.85 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 39.01 2i9h h ASN 102 CO -0.00 1.26 0.00 0.00 -1.29 0.00 0.00 177.43 177.40