#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 0.10 1.12 0.11 -1.26 -4.51 120.40 115.97 2i9h s VAL 2 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2i9h s VAL 2 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2i9h s VAL 2 CO 0.00 0.00 0.07 -0.89 -3.33 0.00 0.00 175.10 170.95 2i9h s THR 3 N 0.06 0.14 0.46 5.04 2.01 -1.16 -5.02 115.64 117.17 2i9h s THR 3 Ca 0.07 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.40 2i9h s THR 3 Cb -0.05 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.79 2i9h s THR 3 CO -0.15 -0.65 0.63 0.00 -0.69 0.00 0.00 174.62 173.76 2i9h n GLN 4 N -0.04 0.49 -3.67 4.92 6.02 -1.26 0.12 117.38 123.97 2i9h n GLN 4 Ca -0.10 -2.15 -0.29 0.00 -0.01 0.00 0.00 57.00 54.46 2i9h n GLN 4 Cb 0.63 -0.28 -0.15 0.00 1.02 0.00 0.00 30.24 31.45 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 -1.79 1.12 -0.14 1.08 0.08 0.21 -4.64 117.98 113.90 2i9h s PHE 5 Ca 0.45 -1.29 0.15 0.00 0.12 0.00 0.00 56.93 56.36 2i9h s PHE 5 Cb -0.03 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2i9h s PHE 5 CO 0.29 -0.81 1.24 0.87 -0.10 0.00 0.00 175.22 176.71 2i9h h LYS 6 N 8.22 0.00 -4.23 0.44 1.79 -1.92 -2.55 116.57 118.33 2i9h h LYS 6 Ca -0.16 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.81 2i9h h LYS 6 Cb 1.03 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.32 2i9h h LYS 6 CO 0.44 0.45 -0.80 0.95 -1.08 0.00 0.00 179.45 179.41 2i9h s THR 7 N -2.94 0.94 0.59 -0.16 -4.23 -1.26 -4.42 115.64 104.16 2i9h s THR 7 Ca 0.02 -0.27 0.29 0.00 -1.18 0.00 0.00 61.69 60.54 2i9h s THR 7 Cb 0.08 -0.95 0.39 0.00 1.34 0.00 0.00 72.50 73.36 2i9h s THR 7 CO 0.77 0.34 1.83 0.00 -0.54 0.00 0.00 174.62 177.02 2i9h h ALA 8 N 7.82 2.27 0.00 3.99 0.00 -1.96 0.49 119.26 131.87 2i9h h ALA 8 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2i9h h ALA 8 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2i9h h ALA 8 CO 0.41 -0.85 0.02 0.77 0.00 0.00 0.00 179.25 179.61 2i9h h SER 9 N 0.00 0.00 0.07 0.00 0.02 -1.99 0.11 113.55 111.77 2i9h h SER 9 Ca 0.25 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.88 2i9h h SER 9 Cb 1.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 2i9h h SER 9 CO -0.00 0.00 -1.73 -0.62 -1.14 0.00 0.00 176.83 173.33 2i9h n GLU 10 N -2.89 0.68 0.15 3.45 1.02 0.17 -4.23 120.64 118.99 2i9h n GLU 10 Ca -0.03 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2i9h n GLU 10 Cb 0.08 -1.72 0.27 0.00 -0.02 0.00 0.00 31.44 30.06 2i9h n GLU 10 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2i9h h PHE 11 N -0.37 0.06 0.03 -0.32 3.57 -1.43 -3.14 116.94 115.33 2i9h h PHE 11 Ca -0.40 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2i9h h PHE 11 Cb 1.74 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 2i9h h PHE 11 CO 0.08 0.50 -0.17 0.22 -2.23 0.00 0.00 178.31 176.71 2i9h h ASP 12 N 0.04 -0.52 0.08 0.41 1.82 -0.97 -1.25 116.42 116.03 2i9h h ASP 12 Ca -0.00 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2i9h h ASP 12 Cb 0.84 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 2i9h h ASP 12 CO 0.06 -0.18 -0.00 0.28 -1.61 0.00 0.00 179.24 177.79 2i9h h SER 13 N -0.24 0.00 0.24 2.28 0.02 -1.75 -3.14 113.55 110.96 2i9h h SER 13 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2i9h h SER 13 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2i9h h SER 13 CO -0.10 0.00 -0.18 0.00 -1.14 0.00 0.00 176.83 175.41 2i9h h ALA 14 N 2.00 -0.96 -0.41 3.77 0.00 -1.18 -3.17 119.26 119.31 2i9h h ALA 14 Ca -0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2i9h h ALA 14 Cb 0.04 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2i9h h ALA 14 CO 0.00 -0.96 0.06 -0.84 0.00 0.00 0.00 179.25 177.51 2i9h h ILE 15 N -0.40 0.77 -0.26 0.00 3.07 -1.47 -3.40 117.51 115.81 2i9h h ILE 15 Ca -0.03 -0.06 -0.57 0.00 1.55 0.00 0.00 64.86 65.75 2i9h h ILE 15 Cb 0.34 0.56 -0.06 0.00 -0.27 0.00 0.00 36.82 37.39 2i9h h ILE 15 CO 0.01 0.03 1.62 0.00 -1.05 0.00 0.00 178.15 178.76 2i9h n ALA 16 N -2.48 0.39 -3.04 0.16 0.00 -1.20 0.25 120.51 114.59 2i9h n ALA 16 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 2i9h n ALA 16 Cb 0.19 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 8.31 -1.33 -1.81 0.00 6.02 -1.25 -4.64 117.38 122.68 2i9h n GLN 17 Ca 0.58 1.41 -0.01 0.00 -0.01 0.00 0.00 57.00 58.97 2i9h n GLN 17 Cb 0.09 -2.08 0.04 0.00 1.02 0.00 0.00 30.24 29.31 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 1.39 -0.59 0.00 1.08 2.03 -1.19 -4.89 116.55 114.37 2i9h n ASP 18 Ca -0.02 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2i9h n ASP 18 Cb 0.33 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.56 0.00 -3.43 -0.67 4.01 -1.26 -4.46 118.16 111.79 2i9h n LYS 19 Ca -0.08 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.31 2i9h n LYS 19 Cb 0.63 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.05 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 -0.20 -0.35 2.96 -1.26 -2.94 118.68 121.28 2i9h s LEU 20 Ca 0.00 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 2i9h s LEU 20 Cb 0.00 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2i9h s LEU 20 CO 0.00 -0.30 0.07 -0.69 -1.32 0.00 0.00 176.35 174.11 2i9h s VAL 21 N 1.97 4.71 -0.74 1.68 1.01 -0.96 -2.69 120.40 125.38 2i9h s VAL 21 Ca 0.11 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2i9h s VAL 21 Cb -0.17 -3.15 0.19 0.00 0.00 0.00 0.00 36.38 33.26 2i9h s VAL 21 CO 0.11 0.42 0.69 -0.69 0.00 0.00 0.00 175.10 175.63 2i9h s VAL 22 N 0.75 5.47 -0.21 2.92 1.01 -0.74 -2.84 120.40 126.76 2i9h s VAL 22 Ca 0.04 -2.15 -0.10 0.00 0.00 0.00 0.00 61.98 59.76 2i9h s VAL 22 Cb -0.13 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2i9h s VAL 22 CO 0.02 -0.99 0.15 -0.69 0.00 0.00 0.00 175.10 173.59 2i9h s VAL 23 N 0.67 5.38 -0.19 2.92 1.01 -0.52 -2.66 120.40 127.01 2i9h s VAL 23 Ca 0.14 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2i9h s VAL 23 Cb -0.16 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2i9h s VAL 23 CO -0.05 0.40 0.14 -0.62 0.00 0.00 0.00 175.10 174.97 2i9h s ASP 24 N 0.62 6.24 -0.88 3.32 -1.08 -1.19 -0.71 116.67 122.99 2i9h s ASP 24 Ca 0.08 0.27 -0.02 0.00 -0.52 0.00 0.00 52.55 52.36 2i9h s ASP 24 Cb -0.12 -2.10 0.32 0.00 -1.46 0.00 0.00 42.92 39.56 2i9h s ASP 24 CO 0.01 0.19 2.04 0.49 0.52 0.00 0.00 175.17 178.42 2i9h n PHE 25 N 3.41 2.81 -1.66 -5.34 3.01 -0.94 0.15 117.46 118.91 2i9h n PHE 25 Ca -0.16 -2.37 -0.52 0.00 1.01 0.00 0.00 57.45 55.41 2i9h n PHE 25 Cb 0.52 -1.22 -0.06 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 -0.25 2.00 -1.23 1.38 0.18 -1.24 -4.26 117.16 113.75 2i9h n TYR 26 Ca 0.52 0.40 -0.36 0.00 1.88 0.00 0.00 57.90 60.34 2i9h n TYR 26 Cb 0.26 -2.48 0.07 0.00 -0.38 0.00 0.00 39.34 36.81 2i9h n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9h n ALA 27 N 4.48 -1.48 -0.67 -3.48 0.00 -1.25 -3.50 120.51 114.60 2i9h n ALA 27 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 2i9h n ALA 27 Cb 0.21 -1.87 0.27 0.00 0.00 0.00 0.00 19.45 18.06 2i9h n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i9h n THR 28 N -2.48 2.50 0.00 0.00 5.66 -1.26 -4.31 114.28 114.39 2i9h n THR 28 Ca 0.10 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.78 2i9h n THR 28 Cb 0.50 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 -0.01 0.00 -0.93 1.09 4.27 -1.26 -4.89 117.44 115.71 2i9h n TRP 29 Ca 0.33 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.65 2i9h n TRP 29 Cb 1.21 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 31.17 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 1.98 -3.06 0.00 0.00 0.00 -1.26 -4.58 105.19 98.27 2i9h n GLY 31 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2i9h n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i9h n PRO 32 N -0.70 0.00 -2.55 1.61 -0.02 -1.26 -4.84 135.00 127.24 2i9h n PRO 32 Ca 0.00 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.58 2i9h n PRO 32 Cb 0.00 -0.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.64 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i9h n LYS 34 N -2.43 0.64 0.20 0.00 5.02 -1.26 -4.75 118.16 115.58 2i9h n LYS 34 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 2i9h n LYS 34 Cb 0.44 -0.70 0.68 0.00 -0.02 0.00 0.00 35.03 35.44 2i9h n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2i9h h MET 35 N 0.00 0.00 -0.03 1.97 4.05 -2.00 -0.52 114.93 118.41 2i9h h MET 35 Ca 0.00 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.18 2i9h h MET 35 Cb 0.40 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2i9h h MET 35 CO 0.00 0.00 -0.94 0.82 0.23 0.00 0.00 176.91 177.02 2i9h h ILE 36 N 0.00 1.33 -0.74 1.77 5.03 -1.94 -3.22 117.51 119.73 2i9h h ILE 36 Ca 0.00 -2.25 0.16 0.00 -0.12 0.00 0.00 64.86 62.64 2i9h h ILE 36 Cb 0.13 2.30 -0.14 0.00 -3.03 0.00 0.00 36.82 36.08 2i9h h ILE 36 CO 0.00 0.69 -0.13 0.00 -0.68 0.00 0.00 178.15 178.04 2i9h h ALA 37 N 0.59 0.58 -0.09 1.87 0.00 -1.40 1.17 119.26 121.98 2i9h h ALA 37 Ca -0.09 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2i9h h ALA 37 Cb 1.57 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2i9h h ALA 37 CO 0.18 -0.42 -0.53 -1.00 0.00 0.00 0.00 179.25 177.47 2i9h h PRO 38 N 0.03 0.25 0.08 0.00 0.13 -1.71 -2.92 132.00 127.85 2i9h h PRO 38 Ca 0.37 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2i9h h PRO 38 Cb 0.60 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2i9h h PRO 38 CO -0.73 0.72 -0.04 1.98 -0.23 0.00 0.00 178.00 179.70 2i9h h MET 39 N 0.19 -0.10 -0.88 0.86 -1.53 -0.62 -2.40 114.93 110.45 2i9h h MET 39 Ca 0.00 0.01 0.25 0.00 -3.44 0.00 0.00 59.70 56.52 2i9h h MET 39 Cb 1.00 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 32.04 2i9h h MET 39 CO 0.08 0.23 0.72 0.82 0.14 0.00 0.00 176.91 178.89 2i9h h ILE 40 N -0.43 0.40 0.02 1.77 2.04 0.13 0.72 117.51 122.16 2i9h h ILE 40 Ca -0.01 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.64 2i9h h ILE 40 Cb 0.37 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2i9h h ILE 40 CO 0.02 0.00 -1.00 -0.08 0.00 0.00 0.00 178.15 177.09 2i9h h GLU 41 N 0.00 0.05 0.00 2.37 4.81 -1.26 -3.21 114.58 117.34 2i9h h GLU 41 Ca 0.42 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2i9h h GLU 41 Cb 1.84 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.25 2i9h h GLU 41 CO -0.00 1.00 0.00 0.87 -0.73 0.00 0.00 179.01 180.15 2i9h h LYS 42 N 0.02 0.00 0.00 1.92 1.57 0.94 -2.69 116.57 118.32 2i9h h LYS 42 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2i9h h LYS 42 Cb 1.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 2i9h h LYS 42 CO 0.14 0.00 -1.07 1.19 -0.57 0.00 0.00 179.45 179.14 2i9h n PHE 43 N -2.47 0.97 0.32 -1.35 3.01 -1.11 -3.80 117.46 113.04 2i9h n PHE 43 Ca 0.01 0.29 0.11 0.00 1.01 0.00 0.00 57.45 58.87 2i9h n PHE 43 Cb 0.24 -0.98 0.49 0.00 -0.01 0.00 0.00 39.48 39.22 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 -2.71 0.58 0.09 4.37 2.88 -1.01 -1.35 113.62 116.47 2i9h n SER 44 Ca -0.01 0.68 0.10 0.00 -1.33 0.00 0.00 58.87 58.30 2i9h n SER 44 Cb 0.59 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 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 -2.18 0.61 -0.00 -1.46 0.00 -1.25 -2.41 120.64 113.94 2i9h n GLU 45 Ca 0.01 0.14 -0.17 0.00 0.00 0.00 0.00 57.16 57.14 2i9h n GLU 45 Cb 0.16 -1.83 -0.14 0.00 0.00 0.00 0.00 31.44 29.64 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2i9h n GLN 46 N -2.71 0.72 -2.37 5.31 6.02 -0.45 -4.43 117.38 119.46 2i9h n GLN 46 Ca -0.02 0.28 -0.21 0.00 -0.01 0.00 0.00 57.00 57.04 2i9h n GLN 46 Cb 0.60 -1.74 0.02 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.33 2.72 -0.51 1.08 4.01 -0.55 -4.90 117.16 115.69 2i9h n TYR 47 Ca -0.26 -2.66 0.40 0.00 -0.16 0.00 0.00 57.90 55.22 2i9h n TYR 47 Cb 1.05 -0.22 0.64 0.00 -0.31 0.00 0.00 39.34 40.50 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 -0.53 -0.02 -0.23 -0.72 -0.02 -1.01 0.15 135.00 132.62 2i9h n PRO 48 Ca 0.34 1.00 0.01 0.00 -2.02 0.00 0.00 63.50 62.83 2i9h n PRO 48 Cb 0.80 -2.12 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.99 -6.24 -0.52 1.08 -1.90 -3.41 115.11 105.11 2i9h h GLN 49 Ca 0.78 -0.06 -0.57 0.00 -1.45 0.00 0.00 58.65 57.35 2i9h h GLN 49 Cb 2.83 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 29.99 2i9h h GLN 49 CO -0.20 0.66 -0.06 0.00 -0.95 0.00 0.00 178.83 178.27 2i9h s ALA 50 N -5.86 3.59 -0.20 3.87 0.00 0.40 -4.73 121.76 118.83 2i9h s ALA 50 Ca -0.11 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2i9h s ALA 50 Cb 0.18 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2i9h s ALA 50 CO 0.79 0.42 0.59 -0.51 0.00 0.00 0.00 175.76 177.05 2i9h s ASP 51 N -1.26 6.63 -0.47 0.00 1.11 -1.09 -4.92 116.67 116.67 2i9h s ASP 51 Ca 0.31 0.77 -0.17 0.00 0.18 0.00 0.00 52.55 53.63 2i9h s ASP 51 Cb -0.18 -2.33 0.05 0.00 1.07 0.00 0.00 42.92 41.53 2i9h s ASP 51 CO 0.19 -0.25 0.49 -0.36 1.18 0.00 0.00 175.17 176.41 2i9h s PHE 52 N 1.86 3.15 0.46 4.23 0.40 -1.26 -1.79 117.98 125.04 2i9h s PHE 52 Ca 0.27 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2i9h s PHE 52 Cb -0.16 -3.22 0.02 0.00 0.51 0.00 0.00 43.02 40.17 2i9h s PHE 52 CO 0.10 -0.86 0.14 0.66 0.70 0.00 0.00 175.22 175.96 2i9h n TYR 53 N 5.65 0.37 -3.89 0.36 4.01 -1.09 -3.01 117.16 119.57 2i9h n TYR 53 Ca -0.09 -2.14 -0.11 0.00 -0.16 0.00 0.00 57.90 55.40 2i9h n TYR 53 Cb 0.45 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 39.03 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 -3.75 0.25 -0.20 -0.72 1.02 0.32 -3.14 119.74 113.53 2i9h s LYS 54 Ca 0.10 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 2i9h s LYS 54 Cb -0.01 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 2i9h s LYS 54 CO 0.07 -0.05 0.02 -1.17 -0.92 0.00 0.00 175.35 173.30 2i9h s LEU 55 N -0.75 3.39 -0.52 3.17 1.98 0.41 0.66 118.68 127.02 2i9h s LEU 55 Ca -0.08 -0.15 -0.27 0.00 -2.89 0.00 0.00 54.13 50.74 2i9h s LEU 55 Cb -0.05 -1.87 0.03 0.00 0.66 0.00 0.00 46.19 44.97 2i9h s LEU 55 CO 0.00 0.07 1.09 -1.81 -1.89 0.00 0.00 176.35 173.82 2i9h s ASP 56 N 0.96 6.51 0.01 3.68 1.11 -0.96 -3.58 116.67 124.38 2i9h s ASP 56 Ca 0.02 0.18 0.18 0.00 0.18 0.00 0.00 52.55 53.11 2i9h s ASP 56 Cb -0.14 -2.52 0.77 0.00 1.07 0.00 0.00 42.92 42.10 2i9h s ASP 56 CO 0.02 -1.29 1.58 0.52 1.18 0.00 0.00 175.17 177.18 2i9h n VAL 57 N 6.63 0.77 -0.00 -1.27 0.31 -1.23 -0.90 118.33 122.64 2i9h n VAL 57 Ca 0.08 0.19 -0.02 0.00 -0.01 0.00 0.00 64.34 64.59 2i9h n VAL 57 Cb 0.49 -0.89 -0.01 0.00 -0.91 0.00 0.00 33.84 32.52 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2i9h h ASP 58 N 0.00 -0.09 0.14 4.52 3.58 -1.89 -3.00 116.42 119.68 2i9h h ASP 58 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2i9h h ASP 58 Cb 0.31 0.02 0.03 0.00 1.72 0.00 0.00 39.33 41.41 2i9h h ASP 58 CO 0.00 0.38 -1.26 -0.08 -2.88 0.00 0.00 179.24 175.40 2i9h h GLU 59 N -0.98 0.62 -1.54 0.28 4.22 -1.84 -3.30 114.58 112.05 2i9h h GLU 59 Ca -0.01 -0.84 -0.65 0.00 0.08 0.00 0.00 59.36 57.94 2i9h h GLU 59 Cb 0.08 0.28 -0.25 0.00 0.50 0.00 0.00 28.75 29.35 2i9h h GLU 59 CO 0.02 1.38 0.84 1.28 -2.18 0.00 0.00 179.01 180.35 2i9h n LEU 60 N -3.78 7.37 0.33 1.64 4.32 -0.07 -4.66 117.00 122.15 2i9h n LEU 60 Ca -0.14 -4.36 0.21 0.00 -0.02 0.00 0.00 56.01 51.70 2i9h n LEU 60 Cb 0.99 -1.05 1.10 0.00 -1.62 0.00 0.00 43.42 42.84 2i9h n LEU 60 CO 0.58 1.58 1.16 1.23 -1.22 0.00 0.00 177.39 180.73 2i9h h GLY 61 N 2.65 0.00 2.00 -0.72 0.00 -1.61 -0.29 103.07 105.11 2i9h h GLY 61 Ca 0.53 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.68 2i9h h GLY 61 CO 1.36 0.00 -0.88 -0.55 0.00 0.00 0.00 176.54 176.47 2i9h h ASP 62 N 0.00 0.00 0.17 0.19 3.32 -1.87 -3.18 116.42 115.05 2i9h h ASP 62 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2i9h h ASP 62 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2i9h h ASP 62 CO 0.00 0.88 -0.08 0.58 -1.72 0.00 0.00 179.24 178.90 2i9h h VAL 63 N 0.00 0.79 -0.36 -1.35 2.07 -1.43 0.37 116.25 116.33 2i9h h VAL 63 Ca -0.01 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.49 2i9h h VAL 63 Cb 1.63 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2i9h h VAL 63 CO 0.11 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.35 2i9h h ALA 64 N -0.37 2.03 0.11 1.67 0.00 -1.66 0.55 119.26 121.59 2i9h h ALA 64 Ca -0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2i9h h ALA 64 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2i9h h ALA 64 CO 0.04 -0.62 -1.95 0.94 0.00 0.00 0.00 179.25 177.66 2i9h n GLN 65 N -3.61 0.74 -0.08 0.00 -0.06 -1.18 0.12 117.38 113.31 2i9h n GLN 65 Ca 0.06 0.27 -0.09 0.00 -2.00 0.00 0.00 57.00 55.24 2i9h n GLN 65 Cb 0.60 -1.73 -0.02 0.00 -4.06 0.00 0.00 30.24 25.03 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 2i9h h LYS 66 N 0.06 0.39 0.00 3.69 2.10 0.19 -1.07 116.57 121.93 2i9h h LYS 66 Ca -0.40 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 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 0.30 0.00 0.09 -2.00 0.00 0.00 179.45 177.93 2i9h n ASN 67 N -4.85 0.00 -2.63 7.07 3.02 -0.37 -4.89 115.26 112.60 2i9h n ASN 67 Ca -0.02 -0.65 -0.18 0.00 -0.03 0.00 0.00 54.58 53.70 2i9h n ASN 67 Cb 0.05 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.10 -5.01 -3.17 3.52 -0.58 -0.41 -4.95 120.64 108.94 2i9h n GLU 68 Ca 0.20 0.67 -0.34 0.00 -0.42 0.00 0.00 57.16 57.27 2i9h n GLU 68 Cb 0.15 -5.11 -0.04 0.00 -0.57 0.00 0.00 31.44 25.88 2i9h n GLU 68 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2i9h n VAL 69 N -4.33 3.78 1.46 2.62 0.31 0.31 -4.81 118.33 117.68 2i9h n VAL 69 Ca -0.04 -5.57 0.05 0.00 -0.01 0.00 0.00 64.34 58.77 2i9h n VAL 69 Cb 0.57 -1.98 0.20 0.00 -0.91 0.00 0.00 33.84 31.71 2i9h n VAL 69 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2i9h n SER 70 N 0.84 0.96 -3.82 4.52 2.88 -1.22 -4.69 113.62 113.07 2i9h n SER 70 Ca 0.30 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 2i9h n SER 70 Cb 0.37 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.03 0.00 -2.82 -1.46 0.00 -1.26 -4.90 120.51 110.03 2i9h n ALA 71 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 2i9h n ALA 71 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.46 0.26 0.00 0.00 0.23 -1.26 -3.93 119.30 114.14 2i9h s MET 72 Ca 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 2i9h s MET 72 Cb 0.00 0.03 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 2i9h s MET 72 CO 0.00 -0.38 0.00 -0.35 -2.03 0.00 0.00 175.02 172.26 2i9h n PRO 73 N 3.73 1.57 -3.93 3.16 -0.04 -1.26 -4.86 135.00 133.37 2i9h n PRO 73 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2i9h n PRO 73 Cb 0.63 0.00 -0.07 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 1.04 0.09 -0.11 0.52 2.01 -1.26 -4.01 115.64 113.92 2i9h s THR 74 Ca 0.00 -1.32 0.03 0.00 0.31 0.00 0.00 61.69 60.71 2i9h s THR 74 Cb 0.00 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.83 2i9h s THR 74 CO 0.00 -0.40 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.57 2i9h s LEU 75 N -2.94 1.95 -0.09 4.42 1.43 -1.07 -2.21 118.68 120.18 2i9h s LEU 75 Ca 0.13 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2i9h s LEU 75 Cb 0.04 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2i9h s LEU 75 CO -0.03 0.09 -0.18 -0.76 0.23 0.00 0.00 176.35 175.70 2i9h s LEU 76 N 0.65 1.86 -0.10 1.79 1.43 0.11 -1.72 118.68 122.70 2i9h s LEU 76 Ca -0.13 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2i9h s LEU 76 Cb -0.16 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2i9h s LEU 76 CO 0.03 0.08 -0.05 -0.76 0.23 0.00 0.00 176.35 175.88 2i9h s LEU 77 N 0.63 3.24 -0.03 1.79 1.02 -1.17 -1.44 118.68 122.72 2i9h s LEU 77 Ca -0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 54.13 53.97 2i9h s LEU 77 Cb -0.16 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2i9h s LEU 77 CO 0.04 0.31 0.02 -0.36 0.02 0.00 0.00 176.35 176.38 2i9h s PHE 78 N -0.46 0.21 -0.15 0.29 0.08 -1.13 -1.43 117.98 115.38 2i9h s PHE 78 Ca 0.07 0.08 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 2i9h s PHE 78 Cb -0.12 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.88 2i9h s PHE 78 CO 0.02 -0.15 -0.05 0.15 -0.10 0.00 0.00 175.22 175.09 2i9h s LYS 79 N 1.42 3.63 -1.26 0.44 1.02 -1.21 -2.26 119.74 121.51 2i9h s LYS 79 Ca -0.04 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.22 2i9h s LYS 79 Cb -0.13 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2i9h s LYS 79 CO -0.03 0.23 0.60 0.09 -0.92 0.00 0.00 175.35 175.32 2i9h n ASN 80 N 3.55 -3.23 -0.73 2.83 4.13 -1.15 0.27 115.26 120.93 2i9h n ASN 80 Ca -0.17 -1.13 -0.09 0.00 1.68 0.00 0.00 54.58 54.86 2i9h n ASN 80 Cb 0.52 -2.63 -0.04 0.00 -1.54 0.00 0.00 39.78 36.10 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 -1.96 0.92 0.00 7.41 0.00 0.68 -3.94 105.19 108.30 2i9h n GLY 81 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.65 3.76 -3.76 1.61 5.02 0.14 -4.65 118.16 119.63 2i9h n LYS 82 Ca -0.09 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 2i9h n LYS 82 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.55 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 2.37 2.38 0.07 1.97 2.12 -1.26 -3.36 118.70 122.99 2i9h s GLU 83 Ca 0.00 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.59 2i9h s GLU 83 Cb 0.00 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2i9h s GLU 83 CO 0.00 -0.31 0.00 0.28 -0.54 0.00 0.00 175.26 174.69 2i9h n VAL 84 N -1.56 0.00 -3.35 3.70 0.31 -0.51 -3.55 118.33 113.37 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 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 -2.70 0.00 -2.97 3.52 0.00 -1.22 -5.01 120.51 112.14 2i9h n ALA 85 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2i9h n ALA 85 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2i9h n ALA 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2i9h s LYS 86 N -1.49 0.11 -0.47 0.00 1.02 -1.26 -3.02 119.74 114.62 2i9h s LYS 86 Ca 0.00 0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2i9h s LYS 86 Cb 0.00 0.05 0.18 0.00 -0.52 0.00 0.00 37.83 37.54 2i9h s LYS 86 CO 0.00 -0.01 0.60 0.08 -0.92 0.00 0.00 175.35 175.09 2i9h s VAL 87 N 0.04 -0.64 -0.47 3.17 1.01 -0.70 -5.03 120.40 117.77 2i9h s VAL 87 Ca -0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 2i9h s VAL 87 Cb -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2i9h s VAL 87 CO 0.00 -0.33 1.22 0.54 0.00 0.00 0.00 175.10 176.53 2i9h s VAL 88 N 0.88 4.10 0.00 2.92 0.11 -1.26 -2.60 120.40 124.56 2i9h s VAL 88 Ca 0.27 1.11 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2i9h s VAL 88 Cb -0.01 -4.52 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 2i9h s VAL 88 CO -0.08 -0.99 0.00 0.61 -3.33 0.00 0.00 175.10 171.31 2i9h n GLY 89 N 4.94 0.59 4.30 6.54 0.00 -1.26 -4.94 105.19 115.37 2i9h n GLY 89 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.23 -1.80 4.61 0.00 -1.25 -4.85 120.51 115.99 2i9h n ALA 90 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2i9h n ALA 90 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 19.45 16.28 2i9h n ALA 90 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2i9h s ASN 91 N -3.24 6.48 0.60 0.00 3.84 -1.26 -4.68 114.94 116.68 2i9h s ASN 91 Ca 0.77 2.85 0.28 0.00 0.21 0.00 0.00 52.86 56.97 2i9h s ASN 91 Cb -0.43 -2.63 1.27 0.00 -0.55 0.00 0.00 41.25 38.91 2i9h s ASN 91 CO 0.94 -0.83 1.67 -0.65 -2.79 0.00 0.00 177.10 175.45 2i9h h PRO 92 N 4.73 0.00 -0.39 0.43 0.11 -2.00 0.53 132.00 135.41 2i9h h PRO 92 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 2i9h h PRO 92 Cb 1.22 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 2i9h h PRO 92 CO 0.77 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.51 2i9h n ALA 93 N -2.27 4.42 0.14 -0.75 0.00 -1.26 -4.57 120.51 116.22 2i9h n ALA 93 Ca 0.13 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.41 2i9h n ALA 93 Cb 0.97 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.13 3.00 0.00 0.00 0.00 0.18 -4.75 120.51 117.81 2i9h n ALA 94 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2i9h n ALA 94 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 -3.46 1.24 -0.10 0.00 0.13 -0.70 -1.08 119.36 115.39 2i9h n ILE 95 Ca 0.00 0.36 -0.23 0.00 -1.10 0.00 0.00 62.75 61.79 2i9h n ILE 95 Cb 0.00 -1.36 -0.12 0.00 -0.84 0.00 0.00 39.64 37.32 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 -1.29 0.58 0.11 9.51 2.85 -1.26 -3.92 118.16 124.74 2i9h n LYS 96 Ca 0.00 0.51 -0.02 0.00 -1.05 0.00 0.00 58.31 57.75 2i9h n LYS 96 Cb 0.05 -1.71 0.22 0.00 -0.65 0.00 0.00 35.03 32.95 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 -0.91 0.18 0.00 -1.58 4.20 -1.58 -2.59 115.11 112.82 2i9h h GLN 97 Ca -0.40 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 2i9h h GLN 97 Cb 1.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 2i9h h GLN 97 CO -0.22 0.60 -0.07 0.00 -0.67 0.00 0.00 178.83 178.47 2i9h h ALA 98 N 1.39 1.71 0.00 3.87 0.00 -1.29 -0.66 119.26 124.29 2i9h h ALA 98 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2i9h h ALA 98 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2i9h h ALA 98 CO 0.07 0.09 -0.55 -0.89 0.00 0.00 0.00 179.25 177.97 2i9h n ILE 99 N -4.21 0.05 0.00 0.00 5.41 -0.99 -3.84 119.36 115.78 2i9h n ILE 99 Ca -0.03 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2i9h n ILE 99 Cb 0.16 0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.56 0.00 -0.29 -1.39 0.00 -0.32 -2.22 120.51 114.74 2i9h n ALA 100 Ca 0.05 -0.12 0.34 0.00 0.00 0.00 0.00 53.44 53.71 2i9h n ALA 100 Cb 0.35 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.53 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 3.05 0.03 0.00 0.00 -1.61 -1.06 119.26 117.66 2i9h h ALA 101 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2i9h h ALA 101 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2i9h h ALA 101 CO 0.00 -1.47 -1.42 0.09 0.00 0.00 0.00 179.25 176.45 2i9h n ASN 102 N -4.02 1.91 -0.57 0.00 3.02 -1.25 -5.13 115.26 109.22 2i9h n ASN 102 Ca 0.25 0.38 0.14 0.00 -0.03 0.00 0.00 54.58 55.31 2i9h n ASN 102 Cb 1.26 -0.95 0.44 0.00 -0.61 0.00 0.00 39.78 39.92 2i9h n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64