#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 0.74 0.09 3.17 1.01 -1.25 -3.86 120.40 120.30 2i9h s VAL 2 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 2i9h s VAL 2 Cb 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.64 2i9h s VAL 2 CO 0.00 0.29 0.29 -0.89 0.00 0.00 0.00 175.10 174.79 2i9h s THR 3 N 1.18 0.10 0.55 3.92 2.01 -1.25 -5.02 115.64 117.12 2i9h s THR 3 Ca -0.06 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 2i9h s THR 3 Cb -0.14 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.20 2i9h s THR 3 CO -0.01 -0.47 0.81 -1.10 -0.69 0.00 0.00 174.62 173.16 2i9h s GLN 4 N -3.55 2.81 -0.21 4.92 -0.21 -1.26 0.51 119.66 122.69 2i9h s GLN 4 Ca 0.02 -0.35 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 2i9h s GLN 4 Cb 0.03 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.63 2i9h s GLN 4 CO -0.10 -0.61 -0.09 -0.06 -2.12 0.00 0.00 175.29 172.31 2i9h s PHE 5 N -2.82 2.90 -0.23 0.91 0.08 0.16 -4.79 117.98 114.19 2i9h s PHE 5 Ca 0.53 -1.14 -0.02 0.00 0.12 0.00 0.00 56.93 56.42 2i9h s PHE 5 Cb -0.10 -2.04 -0.19 0.00 -0.57 0.00 0.00 43.02 40.12 2i9h s PHE 5 CO 0.41 -0.62 -0.10 1.17 -0.10 0.00 0.00 175.22 175.99 2i9h n LYS 6 N 4.71 0.66 -5.08 0.44 3.00 -1.26 -3.18 118.16 117.46 2i9h n LYS 6 Ca -0.19 0.20 -0.28 0.00 -0.00 0.00 0.00 58.31 58.04 2i9h n LYS 6 Cb 0.51 -1.57 -0.16 0.00 0.00 0.00 0.00 35.03 33.81 2i9h n LYS 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2i9h s THR 7 N -2.52 1.73 0.60 3.15 -4.23 -1.26 -4.53 115.64 108.58 2i9h s THR 7 Ca -0.32 -0.93 0.30 0.00 -1.18 0.00 0.00 61.69 59.55 2i9h s THR 7 Cb 0.09 -1.44 0.36 0.00 1.34 0.00 0.00 72.50 72.85 2i9h s THR 7 CO 0.63 0.49 2.08 0.00 -0.54 0.00 0.00 174.62 177.27 2i9h h ALA 8 N 5.66 1.74 0.00 3.99 0.00 -1.99 0.21 119.26 128.87 2i9h h ALA 8 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2i9h h ALA 8 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2i9h h ALA 8 CO 0.48 -0.32 0.00 0.77 0.00 0.00 0.00 179.25 180.17 2i9h h SER 9 N 0.00 0.00 0.04 0.00 0.02 -1.98 0.69 113.55 112.32 2i9h h SER 9 Ca 0.08 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.75 2i9h h SER 9 Cb 0.55 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2i9h h SER 9 CO -0.00 0.00 -1.53 -0.62 -1.14 0.00 0.00 176.83 173.54 2i9h n GLU 10 N -2.42 0.63 0.06 3.45 -0.58 0.73 -4.16 120.64 118.35 2i9h n GLU 10 Ca -0.01 0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2i9h n GLU 10 Cb 0.10 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 2i9h n GLU 10 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2i9h h PHE 11 N -0.64 0.58 -0.80 -0.32 3.57 -1.50 -2.98 116.94 114.85 2i9h h PHE 11 Ca -0.38 -0.30 0.21 0.00 3.53 0.00 0.00 57.97 61.03 2i9h h PHE 11 Cb 1.55 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 2i9h h PHE 11 CO 0.09 1.11 0.56 0.22 -2.23 0.00 0.00 178.31 178.05 2i9h h ASP 12 N 0.23 0.11 0.69 0.41 3.58 0.19 0.14 116.42 121.76 2i9h h ASP 12 Ca -0.07 0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.21 2i9h h ASP 12 Cb 1.51 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 2i9h h ASP 12 CO 0.15 0.05 -1.44 -0.24 -2.88 0.00 0.00 179.24 174.88 2i9h n SER 13 N -4.36 0.87 0.02 2.28 2.88 -1.20 -3.47 113.62 110.64 2i9h n SER 13 Ca 0.16 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.99 2i9h n SER 13 Cb 0.79 0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 64.33 2i9h n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9h h ALA 14 N 1.38 -0.11 -0.02 -1.46 0.00 -0.57 -3.12 119.26 115.36 2i9h h ALA 14 Ca -0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2i9h h ALA 14 Cb 1.63 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2i9h h ALA 14 CO 0.05 -0.62 -0.09 -0.84 0.00 0.00 0.00 179.25 177.75 2i9h h ILE 15 N -0.21 1.52 -0.08 0.00 3.07 -1.69 -3.40 117.51 116.72 2i9h h ILE 15 Ca 0.08 -1.66 -0.42 0.00 1.55 0.00 0.00 64.86 64.40 2i9h h ILE 15 Cb 0.32 2.58 -0.10 0.00 -0.27 0.00 0.00 36.82 39.35 2i9h h ILE 15 CO -0.20 0.44 1.81 0.00 -1.05 0.00 0.00 178.15 179.15 2i9h n ALA 16 N -2.47 0.67 -3.03 0.16 0.00 -1.18 0.27 120.51 114.92 2i9h n ALA 16 Ca -0.09 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.78 2i9h n ALA 16 Cb 0.39 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 7.28 -1.41 -1.79 0.00 6.02 -1.26 -4.65 117.38 121.56 2i9h n GLN 17 Ca 0.65 1.46 -0.01 0.00 -0.01 0.00 0.00 57.00 59.10 2i9h n GLN 17 Cb 0.11 -2.20 0.03 0.00 1.02 0.00 0.00 30.24 29.20 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 1.37 -0.39 0.00 1.08 2.03 -1.19 -4.88 116.55 114.57 2i9h n ASP 18 Ca -0.03 -1.31 0.00 0.00 0.52 0.00 0.00 54.79 53.97 2i9h n ASP 18 Cb 0.32 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.41 0.00 -3.44 -0.67 4.01 -1.26 -4.55 118.16 111.84 2i9h n LYS 19 Ca -0.05 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.35 2i9h n LYS 19 Cb 0.60 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.02 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 4.44 -0.17 -0.35 2.96 -1.26 -3.10 118.68 121.21 2i9h s LEU 20 Ca 0.00 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2i9h s LEU 20 Cb 0.00 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2i9h s LEU 20 CO 0.00 -0.30 0.11 -0.69 -1.32 0.00 0.00 176.35 174.15 2i9h s VAL 21 N 1.92 5.23 -0.79 1.68 1.01 -1.00 -2.02 120.40 126.44 2i9h s VAL 21 Ca 0.10 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2i9h s VAL 21 Cb -0.17 -3.34 0.21 0.00 0.00 0.00 0.00 36.38 33.08 2i9h s VAL 21 CO 0.11 0.51 0.74 -0.69 0.00 0.00 0.00 175.10 175.77 2i9h s VAL 22 N -0.12 5.54 -0.25 2.92 1.01 0.27 -3.15 120.40 126.63 2i9h s VAL 22 Ca 0.09 -2.32 -0.10 0.00 0.00 0.00 0.00 61.98 59.65 2i9h s VAL 22 Cb -0.12 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2i9h s VAL 22 CO 0.00 -1.02 0.16 -0.69 0.00 0.00 0.00 175.10 173.55 2i9h s VAL 23 N 0.41 5.23 -0.17 2.92 1.01 -0.80 -2.25 120.40 126.75 2i9h s VAL 23 Ca 0.16 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 2i9h s VAL 23 Cb -0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2i9h s VAL 23 CO -0.07 0.32 0.13 -0.62 0.00 0.00 0.00 175.10 174.86 2i9h s ASP 24 N 1.28 6.27 -0.92 3.32 -1.08 -1.21 -1.13 116.67 123.20 2i9h s ASP 24 Ca 0.07 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.39 2i9h s ASP 24 Cb -0.14 -2.08 0.32 0.00 -1.46 0.00 0.00 42.92 39.55 2i9h s ASP 24 CO 0.06 0.25 1.99 0.49 0.52 0.00 0.00 175.17 178.49 2i9h n PHE 25 N 3.02 2.82 -1.62 -5.34 3.01 -0.08 0.12 117.46 119.39 2i9h n PHE 25 Ca -0.17 -2.42 -0.39 0.00 1.01 0.00 0.00 57.45 55.47 2i9h n PHE 25 Cb 0.53 -1.22 0.03 0.00 -0.01 0.00 0.00 39.48 38.81 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 -0.20 1.06 -1.93 1.38 0.18 -1.25 -4.01 117.16 112.38 2i9h n TYR 26 Ca 0.51 0.49 -0.38 0.00 1.88 0.00 0.00 57.90 60.40 2i9h n TYR 26 Cb 0.26 -2.20 0.02 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 -1.39 2.87 -1.88 -3.48 0.00 -1.26 -3.68 121.76 112.93 2i9h s ALA 27 Ca 0.69 1.21 0.27 0.00 0.00 0.00 0.00 51.96 54.13 2i9h s ALA 27 Cb -0.48 -3.51 1.59 0.00 0.00 0.00 0.00 23.12 20.72 2i9h s ALA 27 CO 0.53 -1.14 1.98 -2.37 0.00 0.00 0.00 175.76 174.75 2i9h n THR 28 N -0.84 0.03 0.00 0.00 5.66 -1.26 -3.77 114.28 114.10 2i9h n THR 28 Ca 0.09 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2i9h n THR 28 Cb 0.46 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.06 0.00 -0.93 1.09 4.27 -1.26 -4.89 117.44 114.66 2i9h n TRP 29 Ca 0.19 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.45 2i9h n TRP 29 Cb 0.12 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.15 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 2.34 -0.44 0.42 0.00 0.00 -1.26 -4.59 105.19 101.67 2i9h n GLY 31 Ca 0.04 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.50 0.00 0.36 1.61 0.11 -1.96 -1.96 132.00 129.66 2i9h h PRO 32 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2i9h h PRO 32 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2i9h h PRO 32 CO 0.00 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 177.53 2i9h h LYS 34 N -0.62 0.00 0.00 0.00 3.64 -1.62 0.91 116.57 118.88 2i9h h LYS 34 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2i9h h LYS 34 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2i9h h LYS 34 CO 0.01 0.00 0.00 -0.12 -2.27 0.00 0.00 179.45 177.07 2i9h n MET 35 N -4.03 0.75 0.12 1.90 1.56 -0.87 -2.65 117.12 113.90 2i9h n MET 35 Ca 0.13 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.68 2i9h n MET 35 Cb 0.81 -1.44 0.09 0.00 2.15 0.00 0.00 33.22 34.83 2i9h n MET 35 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2i9h h ILE 36 N 0.00 0.00 -0.79 1.12 2.04 0.81 -3.37 117.51 117.32 2i9h h ILE 36 Ca 0.00 -0.88 0.14 0.00 1.00 0.00 0.00 64.86 65.12 2i9h h ILE 36 Cb 0.00 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.51 2i9h h ILE 36 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 2i9h h ALA 37 N 2.12 1.16 -0.28 1.87 0.00 -1.65 0.36 119.26 122.85 2i9h h ALA 37 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2i9h h ALA 37 Cb 0.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2i9h h ALA 37 CO 0.00 -0.15 -0.54 -1.00 0.00 0.00 0.00 179.25 177.56 2i9h h PRO 38 N 0.53 0.82 0.53 0.00 0.13 -1.83 -3.01 132.00 129.18 2i9h h PRO 38 Ca 0.43 -0.51 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2i9h h PRO 38 Cb 0.63 0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.82 2i9h h PRO 38 CO -0.38 1.15 -0.26 0.52 -0.23 0.00 0.00 178.00 178.80 2i9h h MET 39 N 0.63 -0.69 -1.37 0.86 2.86 -1.51 -1.23 114.93 114.49 2i9h h MET 39 Ca 0.02 0.05 0.40 0.00 -2.06 0.00 0.00 59.70 58.10 2i9h h MET 39 Cb 1.13 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 2i9h h MET 39 CO 0.12 -0.40 1.10 0.82 1.06 0.00 0.00 176.91 179.61 2i9h h ILE 40 N -0.88 0.17 0.21 -1.22 2.04 -0.36 0.99 117.51 118.46 2i9h h ILE 40 Ca -0.07 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 2i9h h ILE 40 Cb 0.61 0.20 0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2i9h h ILE 40 CO 0.12 0.00 -1.35 -0.08 0.00 0.00 0.00 178.15 176.84 2i9h h GLU 41 N 0.00 0.45 -0.24 2.37 4.81 -1.25 -3.30 114.58 117.42 2i9h h GLU 41 Ca 0.65 -0.77 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2i9h h GLU 41 Cb 2.85 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 32.50 2i9h h GLU 41 CO -0.01 1.37 0.16 0.87 -0.73 0.00 0.00 179.01 180.67 2i9h h LYS 42 N -0.01 0.24 0.00 1.92 1.57 0.22 0.08 116.57 120.58 2i9h h LYS 42 Ca -0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2i9h h LYS 42 Cb 2.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2i9h h LYS 42 CO 0.22 0.16 0.00 0.74 -0.57 0.00 0.00 179.45 180.00 2i9h h PHE 43 N 0.24 0.00 0.00 -1.35 -1.00 -1.42 -2.90 116.94 110.52 2i9h h PHE 43 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 2i9h h PHE 43 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2i9h h PHE 43 CO -0.00 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.15 2i9h n SER 44 N -2.64 0.06 0.08 2.17 2.88 0.02 -2.28 113.62 113.90 2i9h n SER 44 Ca 0.03 0.51 0.03 0.00 -1.33 0.00 0.00 58.87 58.11 2i9h n SER 44 Cb 0.36 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2i9h h GLU 45 N 0.00 0.00 0.06 -1.46 3.07 -1.62 -2.50 114.58 112.13 2i9h h GLU 45 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 2i9h h GLU 45 Cb 0.28 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 2i9h h GLU 45 CO 0.00 0.30 -1.86 1.04 -1.40 0.00 0.00 179.01 177.09 2i9h n GLN 46 N -2.96 0.69 -2.26 2.33 6.02 -0.97 -4.42 117.38 115.81 2i9h n GLN 46 Ca -0.05 0.28 -0.22 0.00 -0.01 0.00 0.00 57.00 57.00 2i9h n GLN 46 Cb 0.76 -1.75 0.02 0.00 1.02 0.00 0.00 30.24 30.29 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 -3.25 2.72 -0.62 1.08 4.01 -1.00 -4.88 117.16 115.22 2i9h n TYR 47 Ca -0.24 -2.50 0.48 0.00 -0.16 0.00 0.00 57.90 55.48 2i9h n TYR 47 Cb 1.05 -0.26 0.76 0.00 -0.31 0.00 0.00 39.34 40.58 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 -0.60 -0.01 -0.20 -0.72 -0.02 -0.94 0.14 135.00 132.64 2i9h n PRO 48 Ca 0.37 1.11 -0.01 0.00 -2.02 0.00 0.00 63.50 62.96 2i9h n PRO 48 Cb 0.86 -2.43 0.22 0.00 -0.02 0.00 0.00 33.50 32.12 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 -6.46 -0.52 1.08 -1.90 -3.42 115.11 104.86 2i9h h GLN 49 Ca 0.90 -0.09 -0.53 0.00 -1.45 0.00 0.00 58.65 57.47 2i9h h GLN 49 Cb 3.40 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 30.60 2i9h h GLN 49 CO -0.16 0.70 -0.07 0.00 -0.95 0.00 0.00 178.83 178.35 2i9h s ALA 50 N -5.69 3.53 0.23 3.87 0.00 0.38 -4.74 121.76 119.33 2i9h s ALA 50 Ca -0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 2i9h s ALA 50 Cb 0.17 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 2i9h s ALA 50 CO 0.79 0.47 0.58 -0.51 0.00 0.00 0.00 175.76 177.09 2i9h s ASP 51 N -2.20 6.70 -0.54 0.00 1.11 -0.86 -4.93 116.67 115.95 2i9h s ASP 51 Ca 0.46 1.02 0.04 0.00 0.18 0.00 0.00 52.55 54.25 2i9h s ASP 51 Cb -0.12 -2.27 0.15 0.00 1.07 0.00 0.00 42.92 41.75 2i9h s ASP 51 CO 0.20 -0.06 0.33 -0.36 1.18 0.00 0.00 175.17 176.46 2i9h s PHE 52 N -1.77 2.67 0.37 4.23 0.40 -1.25 0.98 117.98 123.60 2i9h s PHE 52 Ca 0.47 -2.88 0.05 0.00 -0.60 0.00 0.00 56.93 53.97 2i9h s PHE 52 Cb -0.12 -2.27 0.06 0.00 0.51 0.00 0.00 43.02 41.21 2i9h s PHE 52 CO 0.20 -0.71 0.51 0.66 0.70 0.00 0.00 175.22 176.59 2i9h n TYR 53 N 2.88 -2.62 -3.75 0.36 4.01 -0.95 -3.90 117.16 113.18 2i9h n TYR 53 Ca 0.13 -1.29 -0.13 0.00 -0.16 0.00 0.00 57.90 56.46 2i9h n TYR 53 Cb 0.35 -0.36 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 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 -3.69 0.23 0.05 -0.72 1.02 0.18 -3.30 119.74 113.51 2i9h s LYS 54 Ca 0.38 0.45 -0.19 0.00 0.02 0.00 0.00 55.97 56.63 2i9h s LYS 54 Cb -0.03 -0.03 -0.06 0.00 -0.52 0.00 0.00 37.83 37.19 2i9h s LYS 54 CO 0.24 -0.11 0.55 -1.17 -0.92 0.00 0.00 175.35 173.94 2i9h s LEU 55 N 0.82 4.50 -0.56 3.17 1.98 0.32 0.38 118.68 129.29 2i9h s LEU 55 Ca -0.06 1.20 -0.19 0.00 -2.89 0.00 0.00 54.13 52.20 2i9h s LEU 55 Cb -0.07 -2.86 0.09 0.00 0.66 0.00 0.00 46.19 44.02 2i9h s LEU 55 CO -0.05 0.25 0.66 -0.62 -1.89 0.00 0.00 176.35 174.70 2i9h s ASP 56 N -0.94 6.19 0.16 3.68 -1.08 -1.19 -3.94 116.67 119.55 2i9h s ASP 56 Ca 0.29 -1.33 0.18 0.00 -0.52 0.00 0.00 52.55 51.17 2i9h s ASP 56 Cb -0.19 -2.29 0.80 0.00 -1.46 0.00 0.00 42.92 39.78 2i9h s ASP 56 CO 0.18 -1.03 1.57 0.52 0.52 0.00 0.00 175.17 176.93 2i9h n VAL 57 N 5.53 1.00 0.01 1.11 0.31 -1.24 0.14 118.33 125.19 2i9h n VAL 57 Ca -0.09 0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 2i9h n VAL 57 Cb 0.43 -1.19 -0.14 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.07 0.00 4.52 3.58 -1.90 -3.32 116.42 119.37 2i9h h ASP 58 Ca 0.00 -0.12 -0.32 0.00 0.42 0.00 0.00 57.03 57.01 2i9h h ASP 58 Cb 0.26 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2i9h h ASP 58 CO 0.00 1.10 -2.02 1.21 -2.88 0.00 0.00 179.24 176.65 2i9h n GLU 59 N -3.20 0.49 -1.74 0.28 4.07 -0.80 -4.63 120.64 115.11 2i9h n GLU 59 Ca -0.13 0.21 -0.33 0.00 -0.06 0.00 0.00 57.16 56.85 2i9h n GLU 59 Cb 1.02 -1.32 -0.02 0.00 -0.06 0.00 0.00 31.44 31.06 2i9h n GLU 59 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2i9h n LEU 60 N -4.10 7.00 0.33 4.31 4.32 0.38 -4.67 117.00 124.57 2i9h n LEU 60 Ca -0.39 -4.45 0.22 0.00 -0.02 0.00 0.00 56.01 51.36 2i9h n LEU 60 Cb 0.75 -1.20 1.16 0.00 -1.62 0.00 0.00 43.42 42.51 2i9h n LEU 60 CO 0.06 1.80 1.17 1.23 -1.22 0.00 0.00 177.39 180.43 2i9h h GLY 61 N 3.91 0.00 2.00 -0.72 0.00 -1.68 -0.61 103.07 105.97 2i9h h GLY 61 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.68 2i9h h GLY 61 CO 1.11 0.00 -0.65 -0.55 0.00 0.00 0.00 176.54 176.46 2i9h h ASP 62 N 0.00 0.00 0.03 0.19 5.19 -1.91 -2.82 116.42 117.10 2i9h h ASP 62 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2i9h h ASP 62 Cb 0.09 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.60 2i9h h ASP 62 CO 0.00 0.65 -0.25 0.58 -3.12 0.00 0.00 179.24 177.10 2i9h h VAL 63 N 0.00 1.65 -0.18 -1.35 2.07 -1.50 0.21 116.25 117.15 2i9h h VAL 63 Ca -0.01 -2.24 0.05 0.00 0.82 0.00 0.00 66.70 65.33 2i9h h VAL 63 Cb 1.20 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 34.09 2i9h h VAL 63 CO 0.08 0.60 0.22 0.00 0.02 0.00 0.00 177.57 178.50 2i9h h ALA 64 N 0.11 1.76 0.11 1.67 0.00 -1.58 -0.33 119.26 120.99 2i9h h ALA 64 Ca -0.04 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.51 2i9h h ALA 64 Cb 1.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2i9h h ALA 64 CO 0.05 -0.32 -1.97 0.94 0.00 0.00 0.00 179.25 177.95 2i9h n GLN 65 N -3.69 0.75 -0.29 0.00 7.27 -1.06 0.14 117.38 120.49 2i9h n GLN 65 Ca 0.02 0.26 -0.05 0.00 0.07 0.00 0.00 57.00 57.30 2i9h n GLN 65 Cb 0.34 -1.72 0.07 0.00 2.41 0.00 0.00 30.24 31.34 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 0.06 1.07 -0.02 3.69 5.09 0.80 -0.58 116.57 126.68 2i9h h LYS 66 Ca -0.41 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2i9h h LYS 66 Cb 2.03 -0.22 0.00 0.00 0.10 0.00 0.00 32.23 34.14 2i9h h LYS 66 CO 0.09 0.76 0.00 0.09 -2.09 0.00 0.00 179.45 178.30 2i9h n ASN 67 N -4.47 0.81 -3.38 7.07 3.02 -0.27 -4.92 115.26 113.13 2i9h n ASN 67 Ca 0.07 -1.31 -0.22 0.00 -0.03 0.00 0.00 54.58 53.09 2i9h n ASN 67 Cb 0.06 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.35 -7.39 -3.73 3.52 -0.58 -0.23 -4.98 120.64 106.91 2i9h n GLU 68 Ca 0.20 0.78 -0.38 0.00 -0.42 0.00 0.00 57.16 57.34 2i9h n GLU 68 Cb 0.24 -5.66 -0.12 0.00 -0.57 0.00 0.00 31.44 25.33 2i9h n GLU 68 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2i9h s VAL 69 N -3.29 3.77 -0.11 2.62 1.01 0.37 -4.90 120.40 119.86 2i9h s VAL 69 Ca 0.54 -1.36 0.15 0.00 0.00 0.00 0.00 61.98 61.31 2i9h s VAL 69 Cb -0.24 -3.25 0.25 0.00 0.00 0.00 0.00 36.38 33.14 2i9h s VAL 69 CO 0.67 -0.34 1.13 -1.54 0.00 0.00 0.00 175.10 175.02 2i9h n SER 70 N 4.79 1.85 -3.06 3.32 3.41 -1.26 -4.45 113.62 118.23 2i9h n SER 70 Ca -0.10 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 2i9h n SER 70 Cb 0.44 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.12 0.00 -2.72 7.33 0.00 -1.26 -5.02 120.51 117.72 2i9h n ALA 71 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2i9h n ALA 71 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 0.20 0.00 0.00 0.23 -1.26 -4.33 119.30 114.14 2i9h s MET 72 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 55.69 54.52 2i9h s MET 72 Cb 0.00 0.00 0.00 0.00 -1.53 0.00 0.00 34.83 33.30 2i9h s MET 72 CO 0.00 -0.26 0.00 -0.35 -2.03 0.00 0.00 175.02 172.38 2i9h n PRO 73 N 3.11 3.03 -3.74 3.16 -0.04 -1.26 -4.87 135.00 134.39 2i9h n PRO 73 Ca 0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2i9h n PRO 73 Cb 0.64 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 1.87 0.03 -0.20 0.52 2.01 -1.26 -3.71 115.64 114.90 2i9h s THR 74 Ca 0.00 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 2i9h s THR 74 Cb 0.00 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2i9h s THR 74 CO 0.00 -0.16 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.95 2i9h s LEU 75 N -0.83 2.86 -0.11 4.42 1.43 -1.08 -0.90 118.68 124.48 2i9h s LEU 75 Ca -0.09 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2i9h s LEU 75 Cb -0.04 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2i9h s LEU 75 CO 0.03 0.02 -0.22 -0.76 0.23 0.00 0.00 176.35 175.65 2i9h s LEU 76 N 1.24 2.05 0.02 1.79 1.43 -0.29 -0.21 118.68 124.70 2i9h s LEU 76 Ca 0.03 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2i9h s LEU 76 Cb -0.14 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2i9h s LEU 76 CO -0.02 0.12 -0.04 -0.76 0.23 0.00 0.00 176.35 175.88 2i9h s LEU 77 N 0.55 3.30 -0.11 1.79 1.02 0.12 -1.90 118.68 123.45 2i9h s LEU 77 Ca -0.14 -0.12 -0.05 0.00 0.02 0.00 0.00 54.13 53.83 2i9h s LEU 77 Cb -0.17 -1.92 0.05 0.00 0.02 0.00 0.00 46.19 44.17 2i9h s LEU 77 CO 0.05 0.26 0.25 -0.36 0.02 0.00 0.00 176.35 176.57 2i9h s PHE 78 N -1.07 -0.35 -0.08 0.29 0.08 -1.19 -3.10 117.98 112.57 2i9h s PHE 78 Ca 0.19 0.82 0.03 0.00 0.12 0.00 0.00 56.93 58.09 2i9h s PHE 78 Cb -0.11 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 2i9h s PHE 78 CO 0.10 -0.26 -0.16 0.15 -0.10 0.00 0.00 175.22 174.95 2i9h s LYS 79 N 1.55 2.79 -1.15 0.44 1.02 -1.09 -2.36 119.74 120.95 2i9h s LYS 79 Ca -0.07 -0.73 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 2i9h s LYS 79 Cb -0.11 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2i9h s LYS 79 CO -0.08 0.45 0.78 0.09 -0.92 0.00 0.00 175.35 175.66 2i9h n ASN 80 N 2.82 -5.17 -1.70 2.83 4.13 -1.18 -0.59 115.26 116.40 2i9h n ASN 80 Ca -0.17 -1.06 -0.13 0.00 1.68 0.00 0.00 54.58 54.90 2i9h n ASN 80 Cb 0.52 -3.14 -0.04 0.00 -1.54 0.00 0.00 39.78 35.58 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 -1.74 0.71 0.00 7.41 0.00 0.76 -4.23 105.19 108.10 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 -2.15 2.62 -3.81 1.61 5.02 0.24 -4.66 118.16 117.03 2i9h n LYS 82 Ca -0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.90 2i9h n LYS 82 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 1.15 2.26 0.00 1.97 2.12 -1.26 -2.67 118.70 122.28 2i9h s GLU 83 Ca 0.00 -1.98 0.00 0.00 0.36 0.00 0.00 54.97 53.35 2i9h s GLU 83 Cb 0.00 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2i9h s GLU 83 CO 0.00 -0.63 0.00 1.33 -0.54 0.00 0.00 175.26 175.42 2i9h n VAL 84 N -1.80 0.00 -3.56 3.70 0.24 -1.18 -3.62 118.33 112.11 2i9h n VAL 84 Ca -0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2i9h n VAL 84 Cb 0.64 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.78 -1.93 -0.13 2.33 0.00 -1.23 -5.04 121.76 113.98 2i9h s ALA 85 Ca 0.00 1.45 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 2i9h s ALA 85 Cb 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.81 2i9h s ALA 85 CO 0.00 -0.46 0.05 -1.59 0.00 0.00 0.00 175.76 173.77 2i9h s LYS 86 N -1.87 0.28 -0.65 0.00 -2.85 -1.26 0.15 119.74 113.54 2i9h s LYS 86 Ca 0.03 -0.04 0.05 0.00 -1.00 0.00 0.00 55.97 55.01 2i9h s LYS 86 Cb -0.01 -1.47 0.16 0.00 -2.06 0.00 0.00 37.83 34.45 2i9h s LYS 86 CO -0.03 -0.52 0.44 0.08 0.10 0.00 0.00 175.35 175.42 2i9h s VAL 87 N 2.04 2.62 -0.83 1.79 1.01 0.70 -5.00 120.40 122.73 2i9h s VAL 87 Ca 0.02 -3.97 -0.22 0.00 0.00 0.00 0.00 61.98 57.81 2i9h s VAL 87 Cb -0.15 -2.74 -0.20 0.00 0.00 0.00 0.00 36.38 33.30 2i9h s VAL 87 CO -0.07 -0.99 2.40 0.55 0.00 0.00 0.00 175.10 176.99 2i9h n VAL 88 N 2.24 -0.02 0.00 2.92 3.14 -1.25 -2.63 118.33 122.73 2i9h n VAL 88 Ca 0.18 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2i9h n VAL 88 Cb 0.35 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 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 6.21 3.96 2.07 7.55 0.00 -1.24 -4.77 105.19 118.96 2i9h n GLY 89 Ca 0.55 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.03 5.46 -1.58 4.61 0.00 -1.26 -4.61 120.51 123.10 2i9h n ALA 90 Ca 0.00 -2.53 -0.42 0.00 0.00 0.00 0.00 53.44 50.49 2i9h n ALA 90 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 2i9h n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2i9h n ASN 91 N -0.55 2.96 -2.93 0.00 4.05 -1.26 -4.71 115.26 112.82 2i9h n ASN 91 Ca 0.48 0.08 -0.15 0.00 0.45 0.00 0.00 54.58 55.44 2i9h n ASN 91 Cb 0.95 -1.53 -0.15 0.00 1.23 0.00 0.00 39.78 40.28 2i9h n ASN 91 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2i9h n PRO 92 N 8.77 0.00 0.00 1.20 -0.02 -1.26 -2.96 135.00 140.73 2i9h n PRO 92 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2i9h n PRO 92 Cb 0.45 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 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 3.70 0.00 0.00 3.55 0.00 -1.26 -5.00 120.51 121.49 2i9h n ALA 93 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2i9h n ALA 93 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 2.43 0.30 0.00 0.00 -1.16 -4.49 120.51 117.60 2i9h n ALA 94 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2i9h n ALA 94 Cb 0.00 0.40 0.52 0.00 0.00 0.00 0.00 19.45 20.37 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 0.00 0.00 6.09 -1.82 0.94 117.51 122.73 2i9h h ILE 95 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2i9h h ILE 95 Cb 0.80 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2i9h h ILE 95 CO 0.00 0.00 -0.21 0.29 -3.07 0.00 0.00 178.15 175.16 2i9h n LYS 96 N -2.63 0.18 -0.02 2.19 5.02 -1.26 -4.00 118.16 117.64 2i9h n LYS 96 Ca -0.01 0.33 0.03 0.00 -2.02 0.00 0.00 58.31 56.63 2i9h n LYS 96 Cb 0.54 -1.08 0.38 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.38 0.57 -0.23 1.97 7.50 -1.69 -1.19 115.11 121.66 2i9h h GLN 97 Ca 0.00 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.13 2i9h h GLN 97 Cb 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 2i9h h GLN 97 CO 0.00 0.42 0.16 0.00 -1.50 0.00 0.00 178.83 177.91 2i9h h ALA 98 N 1.68 2.01 0.00 3.87 0.00 0.70 0.54 119.26 128.05 2i9h h ALA 98 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2i9h h ALA 98 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2i9h h ALA 98 CO -0.03 -0.05 -0.55 -0.89 0.00 0.00 0.00 179.25 177.74 2i9h n ILE 99 N -4.50 0.05 -0.01 0.00 5.41 -0.50 -3.63 119.36 116.17 2i9h n ILE 99 Ca 0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 62.75 63.72 2i9h n ILE 99 Cb 0.18 0.22 -0.00 0.00 -0.71 0.00 0.00 39.64 39.34 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 -1.55 0.06 0.03 -1.39 0.00 0.06 -2.64 120.51 115.08 2i9h n ALA 100 Ca 0.05 -0.17 0.21 0.00 0.00 0.00 0.00 53.44 53.53 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 -1.87 2.35 0.04 0.00 0.00 -1.46 -1.98 119.26 116.34 2i9h h ALA 101 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2i9h h ALA 101 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2i9h h ALA 101 CO 0.00 -0.68 -0.66 -0.91 0.00 0.00 0.00 179.25 177.00 2i9h h ASN 102 N 0.00 0.13 0.00 0.00 -0.26 -1.74 -3.52 115.58 110.19 2i9h h ASN 102 Ca 0.24 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 55.13 2i9h h ASN 102 Cb 1.07 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 2i9h h ASN 102 CO -0.00 1.28 0.00 0.00 -1.06 0.00 0.00 177.43 177.65