#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9h n VAL 2 N 0.00 -7.89 -3.75 1.12 0.31 -1.21 -4.89 118.33 102.02 2i9h n VAL 2 Ca 0.00 2.20 -0.13 0.00 -0.01 0.00 0.00 64.34 66.39 2i9h n VAL 2 Cb 0.00 -3.81 -0.09 0.00 -0.91 0.00 0.00 33.84 29.03 2i9h n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2i9h s THR 3 N -0.88 0.04 0.52 2.52 2.01 -1.24 -5.02 115.64 113.59 2i9h s THR 3 Ca 0.00 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2i9h s THR 3 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2i9h s THR 3 CO 0.00 -0.18 0.78 -1.10 -0.69 0.00 0.00 174.62 173.43 2i9h s GLN 4 N -0.93 2.98 -0.17 4.92 -0.21 -1.26 0.11 119.66 125.11 2i9h s GLN 4 Ca -0.10 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2i9h s GLN 4 Cb -0.04 -2.42 0.01 0.00 1.00 0.00 0.00 33.01 31.55 2i9h s GLN 4 CO 0.04 -0.48 -0.17 -0.06 -2.12 0.00 0.00 175.29 172.49 2i9h s PHE 5 N -2.77 2.78 -0.18 0.91 0.08 0.19 -4.79 117.98 114.20 2i9h s PHE 5 Ca 0.51 -1.25 0.11 0.00 0.12 0.00 0.00 56.93 56.42 2i9h s PHE 5 Cb -0.10 -1.91 -0.18 0.00 -0.57 0.00 0.00 43.02 40.26 2i9h s PHE 5 CO 0.41 -0.60 -0.02 1.63 -0.10 0.00 0.00 175.22 176.55 2i9h n LYS 6 N 4.29 1.08 -4.72 0.44 4.76 -1.26 -3.09 118.16 119.67 2i9h n LYS 6 Ca -0.20 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.02 2i9h n LYS 6 Cb 0.51 -1.42 -0.16 0.00 -1.84 0.00 0.00 35.03 32.11 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 1.31 0.61 -0.18 -4.23 -1.26 -4.55 115.64 104.93 2i9h s THR 7 Ca -0.14 -0.60 0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2i9h s THR 7 Cb 0.06 -1.17 0.36 0.00 1.34 0.00 0.00 72.50 73.08 2i9h s THR 7 CO 0.62 0.39 1.92 0.00 -0.54 0.00 0.00 174.62 177.01 2i9h h ALA 8 N 6.78 1.93 0.00 3.99 0.00 -1.98 0.34 119.26 130.33 2i9h h ALA 8 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2i9h h ALA 8 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2i9h h ALA 8 CO 0.47 -0.58 0.00 0.77 0.00 0.00 0.00 179.25 179.92 2i9h h SER 9 N 0.00 0.00 0.16 0.00 0.02 -1.99 0.61 113.55 112.35 2i9h h SER 9 Ca 0.15 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.74 2i9h h SER 9 Cb 0.98 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2i9h h SER 9 CO -0.00 0.00 -1.97 -0.62 -1.14 0.00 0.00 176.83 173.10 2i9h n GLU 10 N -2.61 0.75 0.05 3.45 -0.58 0.12 -4.16 120.64 117.66 2i9h n GLU 10 Ca -0.02 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.90 2i9h n GLU 10 Cb 0.08 -1.72 -0.13 0.00 -0.57 0.00 0.00 31.44 29.11 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 0.07 0.09 -0.88 -0.32 3.57 -1.43 -3.27 116.94 114.76 2i9h h PHE 11 Ca -0.41 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.13 2i9h h PHE 11 Cb 2.03 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.71 2i9h h PHE 11 CO 0.07 1.06 0.57 0.22 -2.23 0.00 0.00 178.31 178.00 2i9h h ASP 12 N 0.01 0.76 -0.01 0.41 3.58 0.02 0.10 116.42 121.30 2i9h h ASP 12 Ca -0.09 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2i9h h ASP 12 Cb 1.85 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.77 2i9h h ASP 12 CO 0.13 0.43 -0.01 -1.20 -2.88 0.00 0.00 179.24 175.72 2i9h n SER 13 N -4.54 1.49 0.02 2.28 7.64 -1.25 -3.61 113.62 115.67 2i9h n SER 13 Ca 0.16 -1.49 -0.20 0.00 1.01 0.00 0.00 58.87 58.35 2i9h n SER 13 Cb 0.34 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 2i9h n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9h h ALA 14 N 4.34 0.02 0.01 -0.43 0.00 -0.84 -3.39 119.26 118.97 2i9h h ALA 14 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2i9h h ALA 14 Cb 0.50 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2i9h h ALA 14 CO 0.00 0.54 -0.05 -0.84 0.00 0.00 0.00 179.25 178.91 2i9h h ILE 15 N -0.39 1.77 -0.13 0.00 3.07 -1.68 -3.41 117.51 116.74 2i9h h ILE 15 Ca -0.21 -2.31 -0.46 0.00 1.55 0.00 0.00 64.86 63.44 2i9h h ILE 15 Cb 1.65 3.33 -0.09 0.00 -0.27 0.00 0.00 36.82 41.45 2i9h h ILE 15 CO 0.10 0.60 1.77 0.00 -1.05 0.00 0.00 178.15 179.57 2i9h n ALA 16 N -2.60 0.49 -3.09 0.16 0.00 -1.24 0.31 120.51 114.54 2i9h n ALA 16 Ca -0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 2i9h n ALA 16 Cb 0.49 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 7.97 -1.33 -2.13 0.00 6.02 -1.26 -4.64 117.38 122.02 2i9h n GLN 17 Ca 0.64 1.39 -0.01 0.00 -0.01 0.00 0.00 57.00 59.01 2i9h n GLN 17 Cb 0.10 -2.37 0.06 0.00 1.02 0.00 0.00 30.24 29.05 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 0.92 -0.79 0.00 1.08 -0.08 -1.17 -4.88 116.55 111.63 2i9h n ASP 18 Ca -0.00 -1.63 0.00 0.00 -1.51 0.00 0.00 54.79 51.65 2i9h n ASP 18 Cb 0.40 0.40 0.00 0.00 2.34 0.00 0.00 41.12 44.26 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 -0.73 0.00 -3.45 -0.67 5.02 -1.26 -4.57 118.16 112.50 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 0.69 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.60 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 4.39 -0.23 -0.35 2.96 -1.26 -2.69 118.68 121.50 2i9h s LEU 20 Ca 0.00 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 2i9h s LEU 20 Cb 0.00 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2i9h s LEU 20 CO 0.00 -0.27 0.07 -0.69 -1.32 0.00 0.00 176.35 174.14 2i9h s VAL 21 N 1.92 4.42 -0.61 1.68 1.01 -0.76 -1.76 120.40 126.31 2i9h s VAL 21 Ca 0.10 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2i9h s VAL 21 Cb -0.17 -3.05 0.15 0.00 0.00 0.00 0.00 36.38 33.31 2i9h s VAL 21 CO 0.11 0.36 0.56 -0.69 0.00 0.00 0.00 175.10 175.45 2i9h s VAL 22 N 1.34 5.30 -0.16 2.92 1.01 -0.09 -2.42 120.40 128.30 2i9h s VAL 22 Ca 0.05 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.22 2i9h s VAL 22 Cb -0.15 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2i9h s VAL 22 CO 0.04 -0.91 0.14 -0.69 0.00 0.00 0.00 175.10 173.68 2i9h s VAL 23 N 1.27 5.45 -0.21 2.92 1.01 -0.10 -2.46 120.40 128.28 2i9h s VAL 23 Ca 0.07 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2i9h s VAL 23 Cb -0.25 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2i9h s VAL 23 CO 0.00 0.53 0.15 -0.62 0.00 0.00 0.00 175.10 175.16 2i9h s ASP 24 N -0.30 6.18 -0.84 3.32 2.15 -1.11 -0.66 116.67 125.41 2i9h s ASP 24 Ca 0.12 0.20 -0.02 0.00 0.43 0.00 0.00 52.55 53.27 2i9h s ASP 24 Cb -0.12 -2.10 0.32 0.00 -0.30 0.00 0.00 42.92 40.72 2i9h s ASP 24 CO 0.01 0.13 2.07 0.49 -0.17 0.00 0.00 175.17 177.70 2i9h n PHE 25 N 3.83 2.83 -1.63 -5.34 3.01 -0.30 0.17 117.46 120.02 2i9h n PHE 25 Ca -0.15 -2.32 -0.50 0.00 1.01 0.00 0.00 57.45 55.48 2i9h n PHE 25 Cb 0.52 -1.22 -0.05 0.00 -0.01 0.00 0.00 39.48 38.72 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 -0.33 1.85 -0.99 1.38 0.18 -1.25 -4.21 117.16 113.79 2i9h n TYR 26 Ca 0.53 0.47 -0.33 0.00 1.88 0.00 0.00 57.90 60.45 2i9h n TYR 26 Cb 0.26 -2.43 0.12 0.00 -0.38 0.00 0.00 39.34 36.91 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 3.27 -1.16 -0.51 -3.48 0.00 -1.26 -3.38 120.51 113.99 2i9h n ALA 27 Ca 0.19 -0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.22 2i9h n ALA 27 Cb 0.22 -2.04 0.29 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.34 2.24 0.00 0.00 5.66 -1.26 -4.34 114.28 113.24 2i9h n THR 28 Ca 0.11 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.96 2i9h n THR 28 Cb 0.51 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.29 0.00 -1.55 1.09 4.27 -1.26 -4.90 117.44 115.38 2i9h n TRP 29 Ca 0.25 0.00 -0.56 0.00 -3.89 0.00 0.00 57.50 53.30 2i9h n TRP 29 Cb 1.06 0.17 -0.07 0.00 -1.36 0.00 0.00 31.31 31.10 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 3.81 -1.62 0.00 0.00 0.00 -1.97 -3.42 103.07 99.87 2i9h h GLY 31 Ca -0.49 0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2i9h h GLY 31 CO 0.72 -0.57 0.00 -1.55 0.00 0.00 0.00 176.54 175.14 2i9h n PRO 32 N -3.24 2.81 -0.92 4.80 -0.04 -1.26 -4.60 135.00 132.55 2i9h n PRO 32 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2i9h n PRO 32 Cb 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9h n LYS 34 N -1.90 2.38 0.00 0.00 4.81 -1.26 -4.44 118.16 117.75 2i9h n LYS 34 Ca 0.00 -0.01 0.07 0.00 -0.87 0.00 0.00 58.31 57.50 2i9h n LYS 34 Cb 0.07 -1.22 0.41 0.00 0.02 0.00 0.00 35.03 34.31 2i9h n LYS 34 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2i9h n MET 35 N -2.28 0.92 0.14 1.64 2.81 -1.26 -3.14 117.12 115.95 2i9h n MET 35 Ca -0.13 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.80 2i9h n MET 35 Cb 0.73 -1.24 0.04 0.00 -0.71 0.00 0.00 33.22 32.04 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 0.65 -0.79 2.02 2.04 -1.97 -3.35 117.51 116.11 2i9h h ILE 36 Ca 0.00 -1.95 0.19 0.00 1.00 0.00 0.00 64.86 64.10 2i9h h ILE 36 Cb 0.00 2.28 -0.13 0.00 -0.74 0.00 0.00 36.82 38.23 2i9h h ILE 36 CO 0.00 0.37 0.16 0.00 0.00 0.00 0.00 178.15 178.68 2i9h h ALA 37 N 1.59 1.02 -0.11 1.87 0.00 -1.85 0.81 119.26 122.59 2i9h h ALA 37 Ca -0.02 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2i9h h ALA 37 Cb 1.33 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2i9h h ALA 37 CO 0.05 -0.40 -0.68 -1.00 0.00 0.00 0.00 179.25 177.22 2i9h h PRO 38 N 0.21 0.46 0.14 0.00 0.13 -1.86 -2.95 132.00 128.14 2i9h h PRO 38 Ca 0.46 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2i9h h PRO 38 Cb 0.84 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2i9h h PRO 38 CO -0.59 0.98 -0.07 1.98 -0.23 0.00 0.00 178.00 180.07 2i9h h MET 39 N 0.33 -0.18 -0.96 0.86 -1.53 -1.14 -2.09 114.93 110.22 2i9h h MET 39 Ca -0.02 0.01 0.28 0.00 -3.44 0.00 0.00 59.70 56.53 2i9h h MET 39 Cb 1.24 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 32.30 2i9h h MET 39 CO 0.12 0.09 0.77 0.82 0.14 0.00 0.00 176.91 178.85 2i9h h ILE 40 N -0.44 0.39 0.05 1.77 2.04 0.53 0.78 117.51 122.63 2i9h h ILE 40 Ca -0.02 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.61 2i9h h ILE 40 Cb 0.35 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2i9h h ILE 40 CO 0.03 0.00 -1.04 -0.08 0.00 0.00 0.00 178.15 177.06 2i9h h GLU 41 N 0.00 0.21 0.00 2.37 4.81 -1.22 -3.20 114.58 117.55 2i9h h GLU 41 Ca 0.46 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2i9h h GLU 41 Cb 1.99 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 2i9h h GLU 41 CO -0.00 1.07 -0.05 0.87 -0.73 0.00 0.00 179.01 180.17 2i9h h LYS 42 N 0.09 0.00 0.00 1.92 1.57 0.12 -1.87 116.57 118.40 2i9h h LYS 42 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 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 0.16 0.05 -0.86 1.19 -0.57 0.00 0.00 179.45 179.42 2i9h n PHE 43 N -3.37 0.67 0.99 -1.35 3.01 -1.09 -3.81 117.46 112.51 2i9h n PHE 43 Ca -0.02 0.20 0.11 0.00 1.01 0.00 0.00 57.45 58.75 2i9h n PHE 43 Cb 0.19 -0.74 0.54 0.00 -0.01 0.00 0.00 39.48 39.46 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 -2.32 0.00 -0.01 4.37 2.88 -0.70 -2.41 113.62 115.42 2i9h n SER 44 Ca 0.02 0.07 -0.07 0.00 -1.33 0.00 0.00 58.87 57.56 2i9h n SER 44 Cb 0.49 -0.33 -0.13 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.33 0.63 0.02 -1.46 2.13 -1.25 -3.11 120.64 116.28 2i9h n GLU 45 Ca 0.09 0.28 -0.01 0.00 0.66 0.00 0.00 57.16 58.18 2i9h n GLU 45 Cb 0.19 -1.80 -0.09 0.00 0.27 0.00 0.00 31.44 30.01 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 -3.01 0.62 -2.39 5.31 6.02 -1.13 -4.34 117.38 118.47 2i9h n GLN 46 Ca -0.15 0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 2i9h n GLN 46 Cb 1.01 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 30.48 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 -2.91 2.82 -0.29 1.08 4.01 -1.01 -4.91 117.16 115.94 2i9h n TYR 47 Ca -0.11 -2.75 0.18 0.00 -0.16 0.00 0.00 57.90 55.06 2i9h n TYR 47 Cb 0.87 -0.20 0.35 0.00 -0.31 0.00 0.00 39.34 40.05 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 -0.51 -0.06 0.02 -0.72 -0.02 -1.18 0.17 135.00 132.70 2i9h n PRO 48 Ca 0.35 1.27 0.15 0.00 -2.02 0.00 0.00 63.50 63.25 2i9h n PRO 48 Cb 0.78 -2.11 0.61 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.14 -5.98 -0.52 1.08 -1.91 -3.40 115.11 104.52 2i9h h GLN 49 Ca 0.60 -0.01 -0.57 0.00 -1.45 0.00 0.00 58.65 57.22 2i9h h GLN 49 Cb 1.39 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.73 2i9h h GLN 49 CO -0.77 0.09 -0.05 0.00 -0.95 0.00 0.00 178.83 177.16 2i9h s ALA 50 N -5.16 3.48 -0.22 3.87 0.00 0.45 -4.40 121.76 119.78 2i9h s ALA 50 Ca -0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2i9h s ALA 50 Cb 0.19 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 2i9h s ALA 50 CO 0.72 0.11 0.62 -0.51 0.00 0.00 0.00 175.76 176.71 2i9h s ASP 51 N 0.07 6.63 -0.52 0.00 1.11 -0.72 -4.91 116.67 118.33 2i9h s ASP 51 Ca 0.30 0.77 -0.18 0.00 0.18 0.00 0.00 52.55 53.62 2i9h s ASP 51 Cb -0.17 -2.34 0.08 0.00 1.07 0.00 0.00 42.92 41.56 2i9h s ASP 51 CO 0.15 -0.31 0.57 -0.36 1.18 0.00 0.00 175.17 176.40 2i9h s PHE 52 N 2.17 3.11 0.37 4.23 0.40 -1.26 -0.91 117.98 126.08 2i9h s PHE 52 Ca 0.27 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2i9h s PHE 52 Cb -0.16 -3.58 0.02 0.00 0.51 0.00 0.00 43.02 39.81 2i9h s PHE 52 CO 0.09 -1.03 0.16 0.66 0.70 0.00 0.00 175.22 175.81 2i9h n TYR 53 N 5.86 -0.14 -3.74 0.36 4.01 -1.03 -3.33 117.16 119.15 2i9h n TYR 53 Ca -0.10 -1.67 -0.13 0.00 -0.16 0.00 0.00 57.90 55.84 2i9h n TYR 53 Cb 0.44 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 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 -3.44 0.17 0.02 -0.72 1.02 0.30 -2.74 119.74 114.35 2i9h s LYS 54 Ca 0.12 0.47 -0.18 0.00 0.02 0.00 0.00 55.97 56.40 2i9h s LYS 54 Cb -0.01 -0.13 -0.06 0.00 -0.52 0.00 0.00 37.83 37.11 2i9h s LYS 54 CO 0.08 -0.16 0.51 -1.17 -0.92 0.00 0.00 175.35 173.69 2i9h s LEU 55 N 1.18 4.47 -0.45 3.17 1.98 0.44 0.57 118.68 130.03 2i9h s LEU 55 Ca -0.09 1.11 -0.19 0.00 -2.89 0.00 0.00 54.13 52.08 2i9h s LEU 55 Cb -0.10 -2.78 0.04 0.00 0.66 0.00 0.00 46.19 44.00 2i9h s LEU 55 CO -0.07 0.24 0.54 -0.62 -1.89 0.00 0.00 176.35 174.55 2i9h s ASP 56 N -0.80 6.23 0.07 3.68 2.15 -1.18 -3.75 116.67 123.08 2i9h s ASP 56 Ca 0.27 -0.71 0.18 0.00 0.43 0.00 0.00 52.55 52.73 2i9h s ASP 56 Cb -0.18 -2.26 0.77 0.00 -0.30 0.00 0.00 42.92 40.94 2i9h s ASP 56 CO 0.16 -0.73 1.57 0.52 -0.17 0.00 0.00 175.17 176.53 2i9h n VAL 57 N 5.58 0.86 0.01 1.11 0.31 -1.22 0.12 118.33 125.11 2i9h n VAL 57 Ca -0.06 0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 64.26 2i9h n VAL 57 Cb 0.47 -0.98 -0.14 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.41 0.02 4.52 1.82 -1.89 -3.23 116.42 118.07 2i9h h ASP 58 Ca 0.00 -0.90 -0.32 0.00 -0.39 0.00 0.00 57.03 55.42 2i9h h ASP 58 Cb 0.31 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 2i9h h ASP 58 CO 0.00 1.79 -1.79 1.21 -1.61 0.00 0.00 179.24 178.84 2i9h n GLU 59 N -3.64 0.61 -1.78 0.28 4.07 -1.11 -4.42 120.64 114.66 2i9h n GLU 59 Ca -0.30 0.42 -0.37 0.00 -0.06 0.00 0.00 57.16 56.85 2i9h n GLU 59 Cb 1.00 -1.66 0.05 0.00 -0.06 0.00 0.00 31.44 30.77 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 -4.14 7.34 0.32 4.31 4.32 0.33 -4.70 117.00 124.79 2i9h n LEU 60 Ca -0.39 -4.69 0.19 0.00 -0.02 0.00 0.00 56.01 51.10 2i9h n LEU 60 Cb 0.82 -0.98 1.02 0.00 -1.62 0.00 0.00 43.42 42.65 2i9h n LEU 60 CO 0.20 1.71 1.16 1.23 -1.22 0.00 0.00 177.39 180.47 2i9h h GLY 61 N 2.65 0.00 2.00 -0.72 0.00 -1.58 0.41 103.07 105.83 2i9h h GLY 61 Ca 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.83 2i9h h GLY 61 CO 1.43 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 177.11 2i9h h ASP 62 N 0.00 0.00 0.00 0.19 3.32 -1.89 -2.68 116.42 115.37 2i9h h ASP 62 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2i9h h ASP 62 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2i9h h ASP 62 CO -0.00 0.31 -0.00 0.58 -1.72 0.00 0.00 179.24 178.41 2i9h h VAL 63 N 0.00 1.47 -0.30 -1.35 2.07 -1.28 -0.02 116.25 116.83 2i9h h VAL 63 Ca -0.00 -2.07 0.09 0.00 0.82 0.00 0.00 66.70 65.54 2i9h h VAL 63 Cb 0.80 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2i9h h VAL 63 CO 0.04 0.49 0.27 0.00 0.02 0.00 0.00 177.57 178.39 2i9h h ALA 64 N -0.16 2.08 0.00 1.67 0.00 -1.59 0.19 119.26 121.44 2i9h h ALA 64 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2i9h h ALA 64 Cb 0.81 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2i9h h ALA 64 CO 0.00 -0.43 -1.44 0.94 0.00 0.00 0.00 179.25 178.32 2i9h n GLN 65 N -4.04 0.62 -0.01 0.00 7.27 -1.01 0.11 117.38 120.33 2i9h n GLN 65 Ca 0.04 0.24 -0.13 0.00 0.07 0.00 0.00 57.00 57.22 2i9h n GLN 65 Cb 0.43 -1.81 -0.10 0.00 2.41 0.00 0.00 30.24 31.17 2i9h n GLN 65 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2i9h h LYS 66 N 0.00 -0.03 0.00 3.69 1.63 0.13 -2.93 116.57 119.07 2i9h h LYS 66 Ca -0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2i9h h LYS 66 Cb 1.64 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 2i9h h LYS 66 CO 0.05 0.48 0.00 0.09 -3.45 0.00 0.00 179.45 176.62 2i9h n ASN 67 N -4.85 0.00 -2.34 4.20 3.02 -0.07 -4.88 115.26 110.34 2i9h n ASN 67 Ca -0.09 -0.47 -0.15 0.00 -0.03 0.00 0.00 54.58 53.85 2i9h n ASN 67 Cb 0.27 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.13 -4.60 -3.69 3.52 1.02 -1.11 -4.98 120.64 109.67 2i9h n GLU 68 Ca 0.16 0.53 -0.35 0.00 -0.02 0.00 0.00 57.16 57.48 2i9h n GLU 68 Cb 0.14 -4.65 -0.08 0.00 -0.02 0.00 0.00 31.44 26.83 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 -3.14 4.02 -2.44 2.62 1.01 0.31 -4.85 120.40 117.94 2i9h s VAL 69 Ca 0.33 -3.63 0.23 0.00 0.00 0.00 0.00 61.98 58.91 2i9h s VAL 69 Cb -0.15 -3.54 0.44 0.00 0.00 0.00 0.00 36.38 33.13 2i9h s VAL 69 CO 0.41 -1.02 1.52 -1.54 0.00 0.00 0.00 175.10 174.47 2i9h n SER 70 N 2.65 2.19 -3.66 3.32 3.41 -1.25 -4.59 113.62 115.69 2i9h n SER 70 Ca 0.17 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2i9h n SER 70 Cb 0.37 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9h n ALA 71 N 0.68 0.00 -2.97 7.33 0.00 -1.26 -4.94 120.51 119.35 2i9h n ALA 71 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 2i9h n ALA 71 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.90 0.22 0.00 0.00 0.23 -1.26 -4.16 119.30 113.43 2i9h s MET 72 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 55.69 54.69 2i9h s MET 72 Cb 0.00 0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.35 2i9h s MET 72 CO 0.00 -0.35 0.00 -0.35 -2.03 0.00 0.00 175.02 172.29 2i9h n PRO 73 N 4.37 2.02 -3.62 3.16 -0.04 -1.26 -4.86 135.00 134.76 2i9h n PRO 73 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2i9h n PRO 73 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 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 1.08 0.02 -0.19 0.52 2.01 -1.26 -4.03 115.64 113.80 2i9h s THR 74 Ca 0.00 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2i9h s THR 74 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2i9h s THR 74 CO 0.00 -0.09 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.06 2i9h s LEU 75 N -1.02 3.14 -0.11 4.42 1.43 -0.53 -1.15 118.68 124.85 2i9h s LEU 75 Ca -0.10 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2i9h s LEU 75 Cb -0.02 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2i9h s LEU 75 CO 0.07 0.08 -0.21 -0.76 0.23 0.00 0.00 176.35 175.75 2i9h s LEU 76 N 0.91 2.01 -0.06 1.79 1.43 0.16 -0.04 118.68 124.89 2i9h s LEU 76 Ca 0.00 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2i9h s LEU 76 Cb -0.14 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2i9h s LEU 76 CO 0.01 0.10 -0.06 -0.76 0.23 0.00 0.00 176.35 175.88 2i9h s LEU 77 N 0.64 3.24 -0.04 1.79 1.02 -0.62 -0.92 118.68 123.79 2i9h s LEU 77 Ca -0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 2i9h s LEU 77 Cb -0.16 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.35 2i9h s LEU 77 CO 0.03 0.35 0.06 -0.36 0.02 0.00 0.00 176.35 176.45 2i9h s PHE 78 N -0.85 0.01 -0.16 0.29 0.08 -1.02 -1.69 117.98 114.64 2i9h s PHE 78 Ca 0.13 0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.40 2i9h s PHE 78 Cb -0.11 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.00 2i9h s PHE 78 CO 0.02 -0.15 -0.05 0.15 -0.10 0.00 0.00 175.22 175.10 2i9h s LYS 79 N 1.57 3.61 -1.12 0.44 1.02 -1.21 -1.83 119.74 122.22 2i9h s LYS 79 Ca -0.03 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 2i9h s LYS 79 Cb -0.12 -2.89 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2i9h s LYS 79 CO -0.04 0.20 0.73 -1.71 -0.92 0.00 0.00 175.35 173.62 2i9h n ASN 80 N 3.65 -4.94 -1.16 2.83 2.85 -1.09 -0.13 115.26 117.26 2i9h n ASN 80 Ca -0.17 -1.09 -0.13 0.00 -0.11 0.00 0.00 54.58 53.08 2i9h n ASN 80 Cb 0.52 -2.64 -0.06 0.00 1.24 0.00 0.00 39.78 38.85 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2i9h n GLY 81 N -1.84 1.23 0.00 8.20 0.00 0.91 -4.00 105.19 109.69 2i9h n GLY 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2i9h n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9h n LYS 82 N -1.48 3.86 -3.74 1.61 5.02 0.82 -4.66 118.16 119.58 2i9h n LYS 82 Ca -0.13 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.93 2i9h n LYS 82 Cb 0.51 0.00 -0.03 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 1.90 2.38 0.06 1.97 2.12 -1.26 -3.33 118.70 122.54 2i9h s GLU 83 Ca 0.00 -1.75 0.00 0.00 0.36 0.00 0.00 54.97 53.58 2i9h s GLU 83 Cb 0.00 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2i9h s GLU 83 CO 0.00 -0.34 0.00 0.28 -0.54 0.00 0.00 175.26 174.66 2i9h n VAL 84 N -1.59 0.00 -3.57 3.70 0.31 -0.68 -3.56 118.33 112.95 2i9h n VAL 84 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 2i9h n VAL 84 Cb 0.63 -0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 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 -1.67 -1.95 -0.25 3.52 0.00 -1.22 -5.00 121.76 115.18 2i9h s ALA 85 Ca 0.00 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 2i9h s ALA 85 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2i9h s ALA 85 CO 0.00 -0.47 -0.05 -1.59 0.00 0.00 0.00 175.76 173.65 2i9h s LYS 86 N -1.95 2.85 -0.68 0.00 -2.85 -1.26 -1.60 119.74 114.24 2i9h s LYS 86 Ca 0.03 -0.98 0.04 0.00 -1.00 0.00 0.00 55.97 54.07 2i9h s LYS 86 Cb -0.01 -3.03 0.16 0.00 -2.06 0.00 0.00 37.83 32.90 2i9h s LYS 86 CO -0.04 -0.41 0.47 0.08 0.10 0.00 0.00 175.35 175.55 2i9h s VAL 87 N 1.34 2.94 -0.95 1.79 1.01 0.94 -4.99 120.40 122.49 2i9h s VAL 87 Ca 0.00 -4.07 -0.26 0.00 0.00 0.00 0.00 61.98 57.65 2i9h s VAL 87 Cb -0.17 -2.94 -0.18 0.00 0.00 0.00 0.00 36.38 33.09 2i9h s VAL 87 CO -0.04 -0.97 2.24 0.54 0.00 0.00 0.00 175.10 176.88 2i9h s VAL 88 N -1.22 3.05 0.00 2.92 0.11 -1.26 -1.45 120.40 122.54 2i9h s VAL 88 Ca 0.23 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2i9h s VAL 88 Cb -0.09 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 2i9h s VAL 88 CO -0.13 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2i9h n GLY 89 N 6.48 3.37 2.17 6.54 0.00 -1.26 -4.87 105.19 117.63 2i9h n GLY 89 Ca 0.44 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 5.84 -2.15 4.61 0.00 -1.26 -4.51 120.51 123.03 2i9h n ALA 90 Ca 0.00 -2.85 -0.42 0.00 0.00 0.00 0.00 53.44 50.17 2i9h n ALA 90 Cb 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.17 6.81 -0.87 0.00 2.47 -1.26 -4.73 114.94 116.18 2i9h s ASN 91 Ca 0.54 2.32 -0.13 0.00 0.42 0.00 0.00 52.86 56.01 2i9h s ASN 91 Cb 0.42 -2.58 -0.26 0.00 -1.45 0.00 0.00 41.25 37.38 2i9h s ASN 91 CO 0.01 -0.68 2.12 -2.65 -3.72 0.00 0.00 177.10 172.18 2i9h n PRO 92 N 4.17 0.14 0.00 0.43 -0.02 -1.26 -2.52 135.00 135.94 2i9h n PRO 92 Ca 0.12 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2i9h n PRO 92 Cb 0.42 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 9.20 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 126.99 2i9h n ALA 93 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2i9h n ALA 93 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 2.47 0.27 0.00 0.00 -1.05 -4.42 120.51 117.77 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 0.49 0.53 0.00 0.00 0.00 0.00 19.45 20.47 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 0.01 0.00 6.09 -1.79 0.95 117.51 122.77 2i9h h ILE 95 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2i9h h ILE 95 Cb 0.98 0.43 -0.04 0.00 0.47 0.00 0.00 36.82 38.66 2i9h h ILE 95 CO 0.00 0.00 -1.55 2.29 -3.07 0.00 0.00 178.15 175.82 2i9h n LYS 96 N -2.49 0.59 0.12 2.19 2.85 -1.26 -3.83 118.16 116.32 2i9h n LYS 96 Ca -0.01 0.50 -0.02 0.00 -1.05 0.00 0.00 58.31 57.73 2i9h n LYS 96 Cb 0.44 -1.70 0.22 0.00 -0.65 0.00 0.00 35.03 33.33 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 -0.89 0.15 -0.13 -1.58 4.20 -1.31 -2.56 115.11 112.99 2i9h h GLN 97 Ca -0.42 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 2i9h h GLN 97 Cb 1.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 2i9h h GLN 97 CO -0.22 0.60 -0.14 0.00 -0.67 0.00 0.00 178.83 178.41 2i9h h ALA 98 N 1.38 1.54 -0.00 3.87 0.00 0.67 -1.80 119.26 124.92 2i9h h ALA 98 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2i9h h ALA 98 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2i9h h ALA 98 CO 0.07 0.33 -0.42 -0.89 0.00 0.00 0.00 179.25 178.34 2i9h n ILE 99 N -4.28 0.00 -0.00 0.00 5.41 -1.07 -3.68 119.36 115.73 2i9h n ILE 99 Ca -0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 62.75 63.69 2i9h n ILE 99 Cb 0.26 0.31 -0.00 0.00 -0.71 0.00 0.00 39.64 39.50 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 -1.20 0.02 -0.09 -1.39 0.00 -0.73 -2.48 120.51 114.64 2i9h n ALA 100 Ca 0.08 -0.14 0.25 0.00 0.00 0.00 0.00 53.44 53.63 2i9h n ALA 100 Cb 0.34 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.96 2.63 0.00 0.00 0.00 -1.63 -1.91 119.26 116.38 2i9h h ALA 101 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2i9h h ALA 101 Cb 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2i9h h ALA 101 CO 0.00 -0.93 -0.30 -0.91 0.00 0.00 0.00 179.25 177.11 2i9h h ASN 102 N 0.00 0.00 -0.02 0.00 -0.26 -1.76 -3.52 115.58 110.03 2i9h h ASN 102 Ca 0.34 -0.72 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 2i9h h ASN 102 Cb 1.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.72 2i9h h ASN 102 CO -0.00 1.03 0.00 0.00 -1.06 0.00 0.00 177.43 177.40