#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 0.04 1.12 1.01 -1.26 -4.36 120.40 116.95 2i9h s VAL 2 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2i9h s VAL 2 Cb 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2i9h s VAL 2 CO 0.00 0.00 0.24 -0.89 0.00 0.00 0.00 175.10 174.45 2i9h s THR 3 N 0.40 0.10 0.67 3.92 2.01 -1.23 -5.03 115.64 116.48 2i9h s THR 3 Ca -0.01 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2i9h s THR 3 Cb -0.04 -0.89 0.11 0.00 0.01 0.00 0.00 72.50 71.69 2i9h s THR 3 CO -0.01 -0.44 0.93 -1.10 -0.69 0.00 0.00 174.62 173.31 2i9h s GLN 4 N -2.48 1.88 -0.03 4.92 -0.21 -1.26 0.13 119.66 122.61 2i9h s GLN 4 Ca -0.06 -1.20 0.04 0.00 0.02 0.00 0.00 55.36 54.16 2i9h s GLN 4 Cb -0.01 -2.41 -0.00 0.00 1.00 0.00 0.00 33.01 31.58 2i9h s GLN 4 CO -0.03 -1.26 -0.15 -0.06 -2.12 0.00 0.00 175.29 171.67 2i9h s PHE 5 N -3.01 1.46 -0.06 0.91 0.08 0.21 -4.69 117.98 112.89 2i9h s PHE 5 Ca 0.65 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 2i9h s PHE 5 Cb -0.06 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2i9h s PHE 5 CO 0.43 -0.13 -0.06 1.63 -0.10 0.00 0.00 175.22 176.99 2i9h n LYS 6 N 3.11 0.12 -4.88 0.44 4.76 -1.26 -3.14 118.16 117.32 2i9h n LYS 6 Ca -0.18 0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 54.98 2i9h n LYS 6 Cb 0.54 -0.85 -0.14 0.00 -1.84 0.00 0.00 35.03 32.74 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 -2.10 2.94 0.60 -0.18 -4.23 -1.26 -4.39 115.64 107.02 2i9h s THR 7 Ca -0.08 -0.73 0.29 0.00 -1.18 0.00 0.00 61.69 59.99 2i9h s THR 7 Cb 0.03 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 72.04 2i9h s THR 7 CO 0.11 0.55 1.98 0.00 -0.54 0.00 0.00 174.62 176.72 2i9h h ALA 8 N 6.15 1.89 0.00 3.99 0.00 -1.96 0.34 119.26 129.67 2i9h h ALA 8 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2i9h h ALA 8 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2i9h h ALA 8 CO 0.53 -0.50 0.00 0.77 0.00 0.00 0.00 179.25 180.05 2i9h h SER 9 N 0.00 0.00 0.00 0.00 0.02 -1.98 0.17 113.55 111.76 2i9h h SER 9 Ca 0.13 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2i9h h SER 9 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2i9h h SER 9 CO -0.00 0.00 -0.67 -0.62 -1.14 0.00 0.00 176.83 174.40 2i9h n GLU 10 N -2.54 0.47 0.16 3.45 1.02 0.12 -4.31 120.64 119.01 2i9h n GLU 10 Ca -0.01 0.54 0.05 0.00 -0.02 0.00 0.00 57.16 57.72 2i9h n GLU 10 Cb 0.10 -1.70 0.52 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.00 0.18 -0.15 -0.32 3.57 -1.56 -1.56 116.94 116.11 2i9h h PHE 11 Ca -0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.47 2i9h h PHE 11 Cb 0.67 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2i9h h PHE 11 CO -0.16 0.18 0.26 0.22 -2.23 0.00 0.00 178.31 176.58 2i9h h ASP 12 N 0.19 0.00 0.10 0.41 3.58 -0.84 -1.53 116.42 118.34 2i9h h ASP 12 Ca 0.05 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2i9h h ASP 12 Cb 0.10 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2i9h h ASP 12 CO -0.00 0.00 -0.63 -1.28 -2.88 0.00 0.00 179.24 174.45 2i9h h SER 13 N 0.00 0.34 -0.58 2.28 0.87 -1.47 -3.08 113.55 111.91 2i9h h SER 13 Ca 0.07 -0.96 0.10 0.00 -1.23 0.00 0.00 61.79 59.77 2i9h h SER 13 Cb 0.58 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 2i9h h SER 13 CO -0.00 1.30 0.16 0.00 -0.53 0.00 0.00 176.83 177.76 2i9h h ALA 14 N 0.05 0.71 0.00 6.23 0.00 -1.35 0.13 119.26 125.02 2i9h h ALA 14 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i9h h ALA 14 Cb 1.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2i9h h ALA 14 CO 0.10 -0.27 0.00 0.44 0.00 0.00 0.00 179.25 179.53 2i9h n ILE 15 N -5.07 0.09 -2.96 0.00 -5.35 -1.06 -4.20 119.36 100.80 2i9h n ILE 15 Ca 0.08 0.02 -0.44 0.00 -0.27 0.00 0.00 62.75 62.14 2i9h n ILE 15 Cb 0.29 -0.57 -0.00 0.00 -1.74 0.00 0.00 39.64 37.62 2i9h n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i9h s ALA 16 N -2.46 3.94 -0.12 -1.28 0.00 0.44 0.23 121.76 122.51 2i9h s ALA 16 Ca 0.29 -3.29 -0.01 0.00 0.00 0.00 0.00 51.96 48.95 2i9h s ALA 16 Cb 0.19 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2i9h s ALA 16 CO 0.40 -2.78 0.02 1.04 0.00 0.00 0.00 175.76 174.45 2i9h n GLN 17 N 5.65 -1.78 -2.10 0.00 6.02 -1.26 -4.81 117.38 119.09 2i9h n GLN 17 Ca 0.34 1.70 -0.01 0.00 -0.01 0.00 0.00 57.00 59.02 2i9h n GLN 17 Cb 0.44 -2.74 0.07 0.00 1.02 0.00 0.00 30.24 29.02 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 1.26 -0.81 0.00 1.08 2.03 -1.26 -4.95 116.55 113.90 2i9h n ASP 18 Ca -0.03 -1.65 0.00 0.00 0.52 0.00 0.00 54.79 53.62 2i9h n ASP 18 Cb 0.29 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.83 0.00 -3.46 -0.67 5.02 -1.26 -4.69 118.16 112.26 2i9h n LYS 19 Ca -0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 2i9h n LYS 19 Cb 0.70 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.61 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2i9h s LEU 20 N 0.00 4.31 -0.23 -0.35 2.96 -1.26 -3.16 118.68 120.95 2i9h s LEU 20 Ca 0.00 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 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 -0.24 0.11 -0.69 -1.32 0.00 0.00 176.35 174.21 2i9h s VAL 21 N 1.91 4.88 -0.60 1.68 1.01 -0.95 -1.66 120.40 126.67 2i9h s VAL 21 Ca 0.10 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2i9h s VAL 21 Cb -0.16 -3.26 0.15 0.00 0.00 0.00 0.00 36.38 33.10 2i9h s VAL 21 CO 0.11 0.36 0.57 -0.69 0.00 0.00 0.00 175.10 175.45 2i9h s VAL 22 N 1.13 5.28 -0.17 2.92 1.01 0.28 -2.91 120.40 127.94 2i9h s VAL 22 Ca 0.06 -1.69 -0.06 0.00 0.00 0.00 0.00 61.98 60.29 2i9h s VAL 22 Cb -0.14 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2i9h s VAL 22 CO 0.04 -0.91 0.04 -0.69 0.00 0.00 0.00 175.10 173.57 2i9h s VAL 23 N 1.34 4.56 -0.19 2.92 1.01 -0.58 -2.21 120.40 127.25 2i9h s VAL 23 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2i9h s VAL 23 Cb -0.26 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2i9h s VAL 23 CO 0.01 0.49 0.14 -0.62 0.00 0.00 0.00 175.10 175.11 2i9h s ASP 24 N 0.22 6.23 -0.80 3.32 -1.08 -1.18 -0.68 116.67 122.71 2i9h s ASP 24 Ca 0.02 0.26 -0.02 0.00 -0.52 0.00 0.00 52.55 52.29 2i9h s ASP 24 Cb -0.13 -2.09 0.33 0.00 -1.46 0.00 0.00 42.92 39.57 2i9h s ASP 24 CO 0.01 0.19 2.10 0.49 0.52 0.00 0.00 175.17 178.48 2i9h n PHE 25 N 3.42 2.85 -1.60 -5.34 3.01 -1.11 0.13 117.46 118.81 2i9h n PHE 25 Ca -0.16 -2.32 -0.44 0.00 1.01 0.00 0.00 57.45 55.55 2i9h n PHE 25 Cb 0.52 -1.22 -0.01 0.00 -0.01 0.00 0.00 39.48 38.76 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 -0.42 1.34 -1.08 1.38 0.18 -1.25 -4.41 117.16 112.90 2i9h n TYR 26 Ca 0.54 0.66 -0.32 0.00 1.88 0.00 0.00 57.90 60.65 2i9h n TYR 26 Cb 0.28 -2.26 0.13 0.00 -0.38 0.00 0.00 39.34 37.11 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 -1.11 1.84 -2.11 -3.48 0.00 -1.26 -3.47 121.76 112.18 2i9h s ALA 27 Ca 0.59 0.69 0.20 0.00 0.00 0.00 0.00 51.96 53.44 2i9h s ALA 27 Cb -0.66 -3.44 0.99 0.00 0.00 0.00 0.00 23.12 20.01 2i9h s ALA 27 CO 0.60 -2.27 1.66 -2.37 0.00 0.00 0.00 175.76 173.38 2i9h n THR 28 N -3.48 0.07 0.00 0.00 5.66 -1.24 -4.14 114.28 111.15 2i9h n THR 28 Ca 0.12 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2i9h n THR 28 Cb 0.51 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 -0.38 0.00 -1.58 1.09 4.27 -1.26 -5.01 117.44 114.56 2i9h n TRP 29 Ca 0.15 0.00 -0.57 0.00 -3.89 0.00 0.00 57.50 53.19 2i9h n TRP 29 Cb 0.16 0.08 -0.07 0.00 -1.36 0.00 0.00 31.31 30.12 2i9h n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9h h GLY 31 N 4.23 -0.15 -1.38 0.00 0.00 -1.97 -3.33 103.07 100.47 2i9h h GLY 31 Ca -0.49 0.06 0.44 0.00 0.00 0.00 0.00 47.33 47.34 2i9h h GLY 31 CO 0.76 -0.05 1.26 -0.56 0.00 0.00 0.00 176.54 177.95 2i9h h PRO 32 N -0.63 0.00 0.00 4.80 0.13 -1.98 0.57 132.00 134.90 2i9h h PRO 32 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2i9h h PRO 32 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2i9h h PRO 32 CO 0.02 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.79 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 5.09 -0.05 -2.97 116.57 118.64 2i9h h LYS 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2i9h h LYS 34 Cb 0.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.38 2i9h h LYS 34 CO 0.00 0.55 0.00 -1.33 -2.09 0.00 0.00 179.45 176.58 2i9h n MET 35 N -3.29 0.77 0.04 0.07 2.81 -0.48 -3.22 117.12 113.82 2i9h n MET 35 Ca 0.01 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.71 2i9h n MET 35 Cb 0.73 -1.42 -0.14 0.00 -0.71 0.00 0.00 33.22 31.67 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 1.49 -0.94 2.02 1.08 -1.65 -3.27 117.51 116.25 2i9h h ILE 36 Ca 0.00 -2.46 0.24 0.00 -0.39 0.00 0.00 64.86 62.25 2i9h h ILE 36 Cb 0.00 3.09 -0.17 0.00 -3.07 0.00 0.00 36.82 36.66 2i9h h ILE 36 CO 0.00 0.70 -0.01 0.00 -0.69 0.00 0.00 178.15 178.15 2i9h h ALA 37 N 0.13 1.03 0.00 1.87 0.00 -1.74 1.45 119.26 122.00 2i9h h ALA 37 Ca -0.13 0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2i9h h ALA 37 Cb 1.59 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.94 2i9h h ALA 37 CO 0.15 -0.51 -0.54 -1.00 0.00 0.00 0.00 179.25 177.35 2i9h h PRO 38 N 0.03 0.00 0.00 0.00 0.13 -1.80 -2.78 132.00 127.59 2i9h h PRO 38 Ca 0.54 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.67 2i9h h PRO 38 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2i9h h PRO 38 CO -0.88 0.54 -0.00 1.98 -0.23 0.00 0.00 178.00 179.41 2i9h h MET 39 N 0.00 -0.00 -0.93 0.86 4.05 0.76 -2.74 114.93 116.93 2i9h h MET 39 Ca -0.01 0.00 0.24 0.00 -0.28 0.00 0.00 59.70 59.66 2i9h h MET 39 Cb 1.11 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.86 2i9h h MET 39 CO 0.07 0.71 0.64 0.82 0.23 0.00 0.00 176.91 179.38 2i9h h ILE 40 N -0.71 0.59 -0.21 1.77 2.04 0.15 0.20 117.51 121.33 2i9h h ILE 40 Ca -0.00 -0.07 -0.20 0.00 1.00 0.00 0.00 64.86 65.59 2i9h h ILE 40 Cb 0.71 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2i9h h ILE 40 CO 0.00 0.04 -0.66 -0.08 0.00 0.00 0.00 178.15 177.44 2i9h h GLU 41 N 0.20 0.81 -0.08 2.37 4.81 -1.43 -3.08 114.58 118.18 2i9h h GLU 41 Ca 0.47 -0.59 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2i9h h GLU 41 Cb 1.51 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 2i9h h GLU 41 CO -0.11 1.21 0.12 0.87 -0.73 0.00 0.00 179.01 180.37 2i9h h LYS 42 N 0.59 0.00 0.00 1.92 1.57 -0.30 -0.14 116.57 120.21 2i9h h LYS 42 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2i9h h LYS 42 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2i9h h LYS 42 CO 0.14 0.00 -0.88 1.19 -0.57 0.00 0.00 179.45 179.33 2i9h n PHE 43 N -3.59 0.65 0.80 -1.35 3.01 -1.13 -3.86 117.46 111.98 2i9h n PHE 43 Ca -0.01 0.19 0.09 0.00 1.01 0.00 0.00 57.45 58.73 2i9h n PHE 43 Cb 0.22 -0.72 0.45 0.00 -0.01 0.00 0.00 39.48 39.42 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 -2.30 0.00 0.02 4.37 2.88 -0.06 -2.41 113.62 116.12 2i9h n SER 44 Ca 0.02 0.23 -0.02 0.00 -1.33 0.00 0.00 58.87 57.77 2i9h n SER 44 Cb 0.48 -0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.38 0.62 -0.02 -1.46 2.13 -1.24 -3.04 120.64 116.25 2i9h n GLU 45 Ca 0.07 0.24 -0.09 0.00 0.66 0.00 0.00 57.16 58.04 2i9h n GLU 45 Cb 0.19 -1.81 -0.14 0.00 0.27 0.00 0.00 31.44 29.95 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 -2.92 0.63 -2.62 5.31 6.02 -1.07 -4.40 117.38 118.34 2i9h n GLN 46 Ca -0.11 0.30 -0.23 0.00 -0.01 0.00 0.00 57.00 56.96 2i9h n GLN 46 Cb 0.88 -1.80 -0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 -3.05 2.84 -0.13 1.08 4.01 -1.01 -4.89 117.16 116.00 2i9h n TYR 47 Ca -0.17 -3.20 0.28 0.00 -0.16 0.00 0.00 57.90 54.65 2i9h n TYR 47 Cb 1.05 -0.22 0.64 0.00 -0.31 0.00 0.00 39.34 40.51 2i9h n TYR 47 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2i9h h PRO 48 N 2.75 0.00 0.00 -0.72 0.13 -1.74 0.91 132.00 133.32 2i9h h PRO 48 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 2i9h h PRO 48 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2i9h h PRO 48 CO 0.75 0.00 -0.42 1.96 -0.23 0.00 0.00 178.00 180.06 2i9h h GLN 49 N 0.00 0.00 -6.19 0.86 4.20 -1.90 -3.43 115.11 108.66 2i9h h GLN 49 Ca 0.41 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.54 2i9h h GLN 49 Cb 2.10 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.83 2i9h h GLN 49 CO -0.00 0.42 -0.05 0.00 -0.67 0.00 0.00 178.83 178.53 2i9h s ALA 50 N -3.98 3.58 -0.23 3.87 0.00 0.31 -4.50 121.76 120.81 2i9h s ALA 50 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 2i9h s ALA 50 Cb 0.13 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2i9h s ALA 50 CO 0.72 0.36 0.62 -0.51 0.00 0.00 0.00 175.76 176.96 2i9h s ASP 51 N -0.94 6.62 -1.08 0.00 1.01 -0.66 -4.90 116.67 116.73 2i9h s ASP 51 Ca 0.29 0.76 -0.10 0.00 0.71 0.00 0.00 52.55 54.20 2i9h s ASP 51 Cb -0.19 -2.34 0.26 0.00 1.01 0.00 0.00 42.92 41.66 2i9h s ASP 51 CO 0.18 -0.32 1.09 -0.36 0.21 0.00 0.00 175.17 175.97 2i9h s PHE 52 N 2.21 4.13 0.36 4.23 0.40 -1.26 0.98 117.98 129.02 2i9h s PHE 52 Ca 0.27 -2.53 0.01 0.00 -0.60 0.00 0.00 56.93 54.08 2i9h s PHE 52 Cb -0.16 -3.88 0.07 0.00 0.51 0.00 0.00 43.02 39.56 2i9h s PHE 52 CO 0.09 -1.00 0.50 0.66 0.70 0.00 0.00 175.22 176.17 2i9h n TYR 53 N 3.17 -3.01 -3.76 0.36 4.01 -0.94 -3.49 117.16 113.51 2i9h n TYR 53 Ca 0.23 -0.98 -0.13 0.00 -0.16 0.00 0.00 57.90 56.87 2i9h n TYR 53 Cb 0.41 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 38.97 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 -3.70 0.34 -0.05 -0.72 1.02 0.35 -3.08 119.74 113.90 2i9h s LYS 54 Ca 0.34 0.46 -0.08 0.00 0.02 0.00 0.00 55.97 56.72 2i9h s LYS 54 Cb -0.02 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2i9h s LYS 54 CO 0.22 -0.06 0.22 -1.17 -0.92 0.00 0.00 175.35 173.64 2i9h s LEU 55 N 0.37 4.39 -0.19 3.17 1.98 0.34 0.68 118.68 129.42 2i9h s LEU 55 Ca -0.02 0.55 -0.17 0.00 -2.89 0.00 0.00 54.13 51.60 2i9h s LEU 55 Cb -0.03 -2.37 -0.04 0.00 0.66 0.00 0.00 46.19 44.41 2i9h s LEU 55 CO -0.01 0.34 0.47 -0.62 -1.89 0.00 0.00 176.35 174.63 2i9h s ASP 56 N -1.32 6.52 -0.47 3.68 -1.08 -1.19 -3.81 116.67 119.00 2i9h s ASP 56 Ca 0.21 0.62 -0.02 0.00 -0.52 0.00 0.00 52.55 52.85 2i9h s ASP 56 Cb -0.13 -2.27 0.25 0.00 -1.46 0.00 0.00 42.92 39.31 2i9h s ASP 56 CO 0.10 -0.12 2.18 0.52 0.52 0.00 0.00 175.17 178.36 2i9h n VAL 57 N 4.39 3.16 0.00 1.11 0.31 -1.23 -3.27 118.33 122.81 2i9h n VAL 57 Ca -0.06 -2.43 0.00 0.00 -0.01 0.00 0.00 64.34 61.83 2i9h n VAL 57 Cb 0.51 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.07 0.00 0.14 4.52 -0.08 -1.26 -3.70 116.55 116.24 2i9h n ASP 58 Ca 0.44 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.73 2i9h n ASP 58 Cb 0.57 0.28 0.14 0.00 2.34 0.00 0.00 41.12 44.46 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 0.00 0.00 0.00 -0.67 4.57 -1.89 -3.39 114.58 113.20 2i9h h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2i9h h GLU 59 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2i9h h GLU 59 CO 0.00 0.57 -0.47 1.28 -1.18 0.00 0.00 179.01 179.21 2i9h n LEU 60 N -3.48 1.01 0.00 1.64 7.99 -1.20 -4.91 117.00 118.05 2i9h n LEU 60 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2i9h n LEU 60 Cb 0.67 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2i9h n LEU 60 CO 0.41 -0.42 0.00 0.61 -1.51 0.00 0.00 177.39 176.48 2i9h n GLY 61 N 1.80 0.74 0.39 -0.72 0.00 -1.25 -4.36 105.19 101.78 2i9h n GLY 61 Ca -0.07 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.12 2i9h n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i9h h ASP 62 N 0.00 0.54 0.40 1.61 5.19 -1.94 0.33 116.42 122.55 2i9h h ASP 62 Ca 0.00 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2i9h h ASP 62 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2i9h h ASP 62 CO 0.00 0.19 -0.19 0.58 -3.12 0.00 0.00 179.24 176.69 2i9h h VAL 63 N 0.52 0.25 -0.36 -1.35 2.07 -1.94 0.96 116.25 116.39 2i9h h VAL 63 Ca 0.53 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2i9h h VAL 63 Cb 1.16 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2i9h h VAL 63 CO -0.26 0.06 0.46 0.00 0.02 0.00 0.00 177.57 177.84 2i9h h ALA 64 N -0.89 2.02 0.10 1.67 0.00 -1.77 0.10 119.26 120.50 2i9h h ALA 64 Ca -0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2i9h h ALA 64 Cb 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2i9h h ALA 64 CO 0.09 -0.64 -1.92 0.94 0.00 0.00 0.00 179.25 177.72 2i9h n GLN 65 N -3.56 0.73 -0.01 0.00 7.27 0.06 0.96 117.38 122.83 2i9h n GLN 65 Ca 0.06 0.27 -0.11 0.00 0.07 0.00 0.00 57.00 57.30 2i9h n GLN 65 Cb 0.61 -1.73 -0.05 0.00 2.41 0.00 0.00 30.24 31.48 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 0.16 0.00 3.69 2.10 0.34 -1.14 116.57 121.78 2i9h h LYS 66 Ca -0.39 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2i9h h LYS 66 Cb 2.03 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 2i9h h LYS 66 CO 0.09 0.14 0.00 0.09 -2.00 0.00 0.00 179.45 177.77 2i9h n ASN 67 N -4.99 0.00 -2.67 7.07 3.02 -0.46 -4.90 115.26 112.34 2i9h n ASN 67 Ca -0.05 0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 2i9h n ASN 67 Cb 0.05 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.39 -5.23 -3.33 3.52 1.02 -0.43 -4.97 120.64 109.83 2i9h n GLU 68 Ca 0.09 0.58 -0.38 0.00 -0.02 0.00 0.00 57.16 57.43 2i9h n GLU 68 Cb 0.24 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 2i9h n GLU 68 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2i9h n VAL 69 N -3.87 3.91 0.89 2.62 0.31 0.27 -4.78 118.33 117.68 2i9h n VAL 69 Ca -0.07 -5.46 0.13 0.00 -0.01 0.00 0.00 64.34 58.93 2i9h n VAL 69 Cb 0.57 -2.25 0.44 0.00 -0.91 0.00 0.00 33.84 31.70 2i9h n VAL 69 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2i9h n SER 70 N 1.71 0.33 -3.51 4.52 3.41 -1.26 -4.76 113.62 114.07 2i9h n SER 70 Ca 0.25 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2i9h n SER 70 Cb 0.37 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.58 0.00 -3.15 7.33 0.00 -1.26 -4.93 120.51 116.91 2i9h n ALA 71 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2i9h n ALA 71 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.01 0.05 0.00 0.00 0.23 -1.26 -4.25 119.30 113.06 2i9h s MET 72 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 55.69 54.74 2i9h s MET 72 Cb 0.00 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 2i9h s MET 72 CO 0.00 -0.07 0.00 -0.35 -2.03 0.00 0.00 175.02 172.57 2i9h n PRO 73 N 5.34 1.18 -3.77 3.16 -0.04 -1.26 -4.88 135.00 134.72 2i9h n PRO 73 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 2i9h n PRO 73 Cb 0.56 0.00 -0.05 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 0.44 0.06 -0.12 0.52 2.01 -1.26 -3.82 115.64 113.46 2i9h s THR 74 Ca 0.00 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 2i9h s THR 74 Cb 0.00 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.02 2i9h s THR 74 CO 0.00 -0.25 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.82 2i9h s LEU 75 N -2.88 1.36 -0.15 4.42 1.43 -1.07 -2.76 118.68 119.03 2i9h s LEU 75 Ca 0.09 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2i9h s LEU 75 Cb 0.01 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.30 2i9h s LEU 75 CO -0.05 -0.09 -0.20 -0.76 0.23 0.00 0.00 176.35 175.48 2i9h s LEU 76 N 1.57 2.22 -0.11 1.79 1.43 0.15 -1.99 118.68 123.74 2i9h s LEU 76 Ca 0.04 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2i9h s LEU 76 Cb -0.13 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2i9h s LEU 76 CO -0.08 0.06 -0.05 -0.76 0.23 0.00 0.00 176.35 175.75 2i9h s LEU 77 N 0.91 3.21 -0.04 1.79 1.02 -1.03 -1.52 118.68 123.02 2i9h s LEU 77 Ca -0.04 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.05 2i9h s LEU 77 Cb -0.15 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.35 2i9h s LEU 77 CO -0.03 0.28 -0.02 -0.36 0.02 0.00 0.00 176.35 176.23 2i9h s PHE 78 N -0.28 0.54 -0.17 0.29 0.08 -1.14 -1.23 117.98 116.05 2i9h s PHE 78 Ca 0.04 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 2i9h s PHE 78 Cb -0.13 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.77 2i9h s PHE 78 CO 0.02 -0.17 -0.11 0.15 -0.10 0.00 0.00 175.22 175.01 2i9h s LYS 79 N 1.03 3.29 -0.35 0.44 1.02 -1.23 -2.24 119.74 121.71 2i9h s LYS 79 Ca -0.09 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 2i9h s LYS 79 Cb -0.14 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2i9h s LYS 79 CO -0.01 -0.03 0.49 0.09 -0.92 0.00 0.00 175.35 174.97 2i9h n ASN 80 N 4.25 -6.17 -3.71 2.83 4.13 -1.19 -2.21 115.26 113.18 2i9h n ASN 80 Ca -0.19 0.13 -0.24 0.00 1.68 0.00 0.00 54.58 55.96 2i9h n ASN 80 Cb 0.51 -2.33 -0.06 0.00 -1.54 0.00 0.00 39.78 36.36 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 0.14 -0.15 0.00 7.41 0.00 0.63 -4.67 105.19 108.56 2i9h n GLY 81 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.31 0.00 -3.75 1.61 4.76 -0.94 -4.96 118.16 111.57 2i9h n LYS 82 Ca -0.13 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.08 2i9h n LYS 82 Cb 0.43 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.60 2i9h n LYS 82 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2i9h s GLU 83 N 1.13 2.36 0.03 1.97 2.12 -1.26 -3.58 118.70 121.47 2i9h s GLU 83 Ca 0.00 -1.79 0.00 0.00 0.36 0.00 0.00 54.97 53.54 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 -0.40 0.00 0.28 -0.54 0.00 0.00 175.26 174.60 2i9h n VAL 84 N -1.63 0.00 -3.56 3.70 0.31 -0.37 -3.56 118.33 113.22 2i9h n VAL 84 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 2i9h n VAL 84 Cb 0.63 -0.03 -0.03 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 s ALA 85 N -1.77 -1.94 -0.07 3.52 0.00 -1.22 -5.02 121.76 115.27 2i9h s ALA 85 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.40 2i9h s ALA 85 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2i9h s ALA 85 CO 0.00 -0.49 -0.11 0.15 0.00 0.00 0.00 175.76 175.31 2i9h s LYS 86 N -2.03 2.75 -0.49 0.00 1.02 -1.26 -2.46 119.74 117.27 2i9h s LYS 86 Ca 0.03 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.45 2i9h s LYS 86 Cb -0.01 -2.51 0.19 0.00 -0.52 0.00 0.00 37.83 34.99 2i9h s LYS 86 CO -0.04 0.57 0.64 0.28 -0.92 0.00 0.00 175.35 175.88 2i9h n VAL 87 N 2.49 -0.32 -1.56 3.17 0.31 -0.84 -5.04 118.33 116.54 2i9h n VAL 87 Ca -0.18 -1.71 -0.14 0.00 -0.01 0.00 0.00 64.34 62.30 2i9h n VAL 87 Cb 0.52 0.32 -0.08 0.00 -0.91 0.00 0.00 33.84 33.69 2i9h n VAL 87 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2i9h n VAL 88 N 2.76 -0.00 0.00 2.52 3.14 -1.26 -2.61 118.33 122.87 2i9h n VAL 88 Ca 0.20 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 2i9h n VAL 88 Cb 0.55 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 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 6.72 3.80 2.22 7.55 0.00 -1.25 -4.86 105.19 119.37 2i9h n GLY 89 Ca 0.48 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 6.04 -1.48 4.61 0.00 -1.26 -4.58 120.51 123.83 2i9h n ALA 90 Ca 0.00 -2.37 -0.49 0.00 0.00 0.00 0.00 53.44 50.58 2i9h n ALA 90 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 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 1.11 2.43 -0.43 0.00 4.05 -1.26 -4.59 115.26 116.57 2i9h n ASN 91 Ca 0.41 0.35 0.33 0.00 0.45 0.00 0.00 54.58 56.13 2i9h n ASN 91 Cb 0.63 -1.34 0.52 0.00 1.23 0.00 0.00 39.78 40.82 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 8.35 -0.01 -0.96 1.20 -0.02 -1.26 0.26 135.00 142.56 2i9h n PRO 92 Ca 0.38 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 62.43 2i9h n PRO 92 Cb 0.29 -1.66 0.14 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.60 4.95 0.21 3.55 0.00 -1.26 -4.27 120.51 121.09 2i9h n ALA 93 Ca 0.29 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.46 2i9h n ALA 93 Cb 1.26 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.76 1.15 0.07 0.00 0.00 0.73 -4.83 120.51 116.87 2i9h n ALA 94 Ca 0.47 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.93 2i9h n ALA 94 Cb 1.38 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.97 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 -3.49 0.96 -0.10 0.00 0.13 -0.86 0.00 119.36 115.99 2i9h n ILE 95 Ca 0.00 0.60 -0.21 0.00 -1.10 0.00 0.00 62.75 62.04 2i9h n ILE 95 Cb 0.00 -1.60 -0.10 0.00 -0.84 0.00 0.00 39.64 37.10 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 -1.60 0.56 0.11 9.51 2.85 -1.26 -3.81 118.16 124.50 2i9h n LYS 96 Ca -0.00 0.54 -0.02 0.00 -1.05 0.00 0.00 58.31 57.77 2i9h n LYS 96 Cb 0.25 -1.71 0.22 0.00 -0.65 0.00 0.00 35.03 33.14 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 -1.00 0.19 -0.18 -1.58 1.08 -1.46 -2.49 115.11 109.68 2i9h h GLN 97 Ca -0.35 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2i9h h GLN 97 Cb 1.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2i9h h GLN 97 CO -0.21 0.61 -0.03 0.00 -0.95 0.00 0.00 178.83 178.25 2i9h h ALA 98 N 1.38 1.62 -0.00 3.87 0.00 -0.61 -1.25 119.26 124.26 2i9h h ALA 98 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2i9h h ALA 98 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2i9h h ALA 98 CO 0.07 0.28 -0.40 -0.89 0.00 0.00 0.00 179.25 178.31 2i9h n ILE 99 N -4.36 0.00 -0.01 0.00 5.41 -1.05 -3.62 119.36 115.74 2i9h n ILE 99 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.69 2i9h n ILE 99 Cb 0.20 0.31 -0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 -1.15 0.06 0.03 -1.39 0.00 -0.54 -2.62 120.51 114.90 2i9h n ALA 100 Ca 0.08 -0.17 0.20 0.00 0.00 0.00 0.00 53.44 53.56 2i9h n ALA 100 Cb 0.34 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.86 2.40 0.00 0.00 0.00 -1.60 -2.33 119.26 115.86 2i9h h ALA 101 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 101 Cb 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2i9h h ALA 101 CO 0.00 -0.62 -0.04 -0.91 0.00 0.00 0.00 179.25 177.67 2i9h h ASN 102 N 0.00 0.00 0.00 0.00 -0.26 -1.76 -3.52 115.58 110.04 2i9h h ASN 102 Ca 0.23 -0.74 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 2i9h h ASN 102 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 2i9h h ASN 102 CO -0.00 0.89 0.00 0.00 -1.06 0.00 0.00 177.43 177.26