#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 0.01 -0.05 1.12 1.01 -1.26 -4.45 120.40 116.79 2i9h s VAL 2 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 2i9h s VAL 2 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2i9h s VAL 2 CO 0.00 -0.07 0.34 -0.89 0.00 0.00 0.00 175.10 174.48 2i9h s THR 3 N -0.43 0.04 0.55 3.92 2.01 -1.22 -5.02 115.64 115.49 2i9h s THR 3 Ca -0.06 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2i9h s THR 3 Cb -0.03 -0.60 0.11 0.00 0.01 0.00 0.00 72.50 71.99 2i9h s THR 3 CO 0.03 -0.19 0.76 0.00 -0.69 0.00 0.00 174.62 174.54 2i9h n GLN 4 N 1.67 -0.11 -4.21 4.92 6.02 -1.26 0.13 117.38 124.54 2i9h n GLN 4 Ca -0.19 -1.84 -0.18 0.00 -0.01 0.00 0.00 57.00 54.78 2i9h n GLN 4 Cb 0.56 -0.57 -0.15 0.00 1.02 0.00 0.00 30.24 31.10 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 -2.31 0.65 -0.08 1.08 0.08 0.84 -4.67 117.98 113.56 2i9h s PHE 5 Ca 0.48 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.43 2i9h s PHE 5 Cb -0.02 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 41.86 2i9h s PHE 5 CO 0.32 -0.08 -0.02 1.63 -0.10 0.00 0.00 175.22 176.98 2i9h n LYS 6 N 3.36 1.85 -4.46 0.44 4.76 -1.26 -3.16 118.16 119.68 2i9h n LYS 6 Ca -0.18 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.05 2i9h n LYS 6 Cb 0.55 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.45 2i9h n LYS 6 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2i9h s THR 7 N -2.18 1.73 0.16 -0.18 2.01 -1.26 -4.50 115.64 111.43 2i9h s THR 7 Ca -0.07 -2.12 0.08 0.00 0.31 0.00 0.00 61.69 59.89 2i9h s THR 7 Cb 0.03 -2.55 -0.14 0.00 0.01 0.00 0.00 72.50 69.85 2i9h s THR 7 CO 0.26 -0.24 1.40 0.00 -0.69 0.00 0.00 174.62 175.35 2i9h h ALA 8 N 2.19 0.57 0.00 7.40 0.00 -1.97 -3.07 119.26 124.37 2i9h h ALA 8 Ca -0.41 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2i9h h ALA 8 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2i9h h ALA 8 CO 0.69 1.07 0.03 1.03 0.00 0.00 0.00 179.25 182.07 2i9h h SER 9 N 0.00 0.00 0.00 0.00 0.87 -1.98 0.73 113.55 113.17 2i9h h SER 9 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2i9h h SER 9 Cb 1.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2i9h h SER 9 CO 0.11 0.00 -0.64 -0.62 -0.53 0.00 0.00 176.83 175.15 2i9h n GLU 10 N -2.50 0.47 0.21 2.24 1.02 -1.16 -4.01 120.64 116.91 2i9h n GLU 10 Ca -0.02 0.54 0.06 0.00 -0.02 0.00 0.00 57.16 57.72 2i9h n GLU 10 Cb 0.07 -1.71 0.47 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.00 -0.75 -0.32 3.57 -1.54 -2.38 116.94 114.52 2i9h h PHE 11 Ca -0.06 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2i9h h PHE 11 Cb 0.64 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2i9h h PHE 11 CO -0.16 0.27 0.48 0.22 -2.23 0.00 0.00 178.31 176.89 2i9h h ASP 12 N 0.00 0.80 0.97 0.41 1.82 0.29 -2.30 116.42 118.41 2i9h h ASP 12 Ca -0.00 -0.01 -0.20 0.00 -0.39 0.00 0.00 57.03 56.43 2i9h h ASP 12 Cb 0.53 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 2i9h h ASP 12 CO 0.04 0.56 -0.96 0.28 -1.61 0.00 0.00 179.24 177.55 2i9h h SER 13 N 0.95 0.00 -0.41 2.28 0.02 -1.64 -2.75 113.55 112.01 2i9h h SER 13 Ca 0.29 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 2i9h h SER 13 Cb -0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2i9h h SER 13 CO -0.10 0.96 0.28 0.00 -1.14 0.00 0.00 176.83 176.83 2i9h h ALA 14 N 1.04 2.01 0.01 3.77 0.00 -0.91 -3.03 119.26 122.16 2i9h h ALA 14 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2i9h h ALA 14 Cb 1.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2i9h h ALA 14 CO 0.12 -0.09 -1.34 -0.84 0.00 0.00 0.00 179.25 177.10 2i9h h ILE 15 N 0.29 0.88 -0.25 0.00 3.07 -1.51 -3.42 117.51 116.57 2i9h h ILE 15 Ca 0.18 -2.19 -0.54 0.00 1.55 0.00 0.00 64.86 63.86 2i9h h ILE 15 Cb 0.35 2.23 -0.07 0.00 -0.27 0.00 0.00 36.82 39.06 2i9h h ILE 15 CO -0.04 0.36 1.67 0.00 -1.05 0.00 0.00 178.15 179.08 2i9h n ALA 16 N -3.39 0.38 -3.22 0.16 0.00 -1.04 0.28 120.51 113.68 2i9h n ALA 16 Ca -0.32 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 2i9h n ALA 16 Cb 0.72 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.81 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 8.41 -1.32 -2.20 0.00 6.02 -1.25 -4.64 117.38 122.40 2i9h n GLN 17 Ca 0.60 1.31 -0.02 0.00 -0.01 0.00 0.00 57.00 58.88 2i9h n GLN 17 Cb 0.09 -2.15 0.08 0.00 1.02 0.00 0.00 30.24 29.28 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 0.64 -0.99 0.00 1.08 2.03 -1.15 -4.90 116.55 113.26 2i9h n ASP 18 Ca -0.02 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.49 2i9h n ASP 18 Cb 0.50 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 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 -0.99 0.00 -3.41 -0.67 4.01 -1.26 -4.53 118.16 111.30 2i9h n LYS 19 Ca -0.13 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.26 2i9h n LYS 19 Cb 0.75 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.17 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 4.56 -0.26 -0.35 2.96 -1.26 -3.08 118.68 121.25 2i9h s LEU 20 Ca 0.00 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2i9h s LEU 20 Cb 0.00 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2i9h s LEU 20 CO 0.00 -0.37 0.13 -0.69 -1.32 0.00 0.00 176.35 174.10 2i9h s VAL 21 N 1.97 4.78 -0.59 1.68 1.01 -0.86 -2.74 120.40 125.64 2i9h s VAL 21 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2i9h s VAL 21 Cb -0.17 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.10 2i9h s VAL 21 CO 0.12 0.30 0.55 -0.69 0.00 0.00 0.00 175.10 175.38 2i9h s VAL 22 N 1.66 5.27 -0.02 2.92 1.01 -0.66 -2.58 120.40 128.00 2i9h s VAL 22 Ca 0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.36 2i9h s VAL 22 Cb -0.15 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2i9h s VAL 22 CO 0.07 -0.91 0.19 -0.69 0.00 0.00 0.00 175.10 173.76 2i9h s VAL 23 N 1.39 5.43 -0.20 2.92 1.01 -0.45 -2.92 120.40 127.58 2i9h s VAL 23 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2i9h s VAL 23 Cb -0.26 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2i9h s VAL 23 CO 0.01 0.35 0.02 -0.62 0.00 0.00 0.00 175.10 174.87 2i9h s ASP 24 N -1.83 5.08 -0.81 3.32 2.15 -1.14 -0.85 116.67 122.58 2i9h s ASP 24 Ca 0.26 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 2i9h s ASP 24 Cb -0.13 -1.87 0.31 0.00 -0.30 0.00 0.00 42.92 40.94 2i9h s ASP 24 CO 0.17 0.09 2.11 0.49 -0.17 0.00 0.00 175.17 177.86 2i9h n PHE 25 N 4.07 2.81 -1.65 -5.34 3.01 -0.90 0.14 117.46 119.60 2i9h n PHE 25 Ca -0.17 -2.29 -0.44 0.00 1.01 0.00 0.00 57.45 55.57 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 -0.35 1.85 -1.90 1.38 0.18 -1.25 -4.27 117.16 112.80 2i9h n TYR 26 Ca 0.53 0.60 -0.37 0.00 1.88 0.00 0.00 57.90 60.55 2i9h n TYR 26 Cb 0.27 -2.35 0.04 0.00 -0.38 0.00 0.00 39.34 36.92 2i9h n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9h s ALA 27 N -0.94 2.56 -0.84 -3.48 0.00 -1.25 -3.49 121.76 114.33 2i9h s ALA 27 Ca 0.59 1.13 0.23 0.00 0.00 0.00 0.00 51.96 53.90 2i9h s ALA 27 Cb -0.64 -3.50 0.90 0.00 0.00 0.00 0.00 23.12 19.89 2i9h s ALA 27 CO 0.60 -1.31 1.70 -2.37 0.00 0.00 0.00 175.76 174.38 2i9h n THR 28 N -1.53 0.62 -0.00 0.00 5.66 -1.26 -4.20 114.28 113.57 2i9h n THR 28 Ca 0.13 0.08 -0.03 0.00 -3.05 0.00 0.00 64.05 61.18 2i9h n THR 28 Cb 0.48 -0.82 -0.01 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.80 0.00 0.00 1.09 4.27 -1.26 -4.90 117.44 114.84 2i9h n TRP 29 Ca 0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 2i9h n TRP 29 Cb 0.28 -0.19 0.00 0.00 -1.36 0.00 0.00 31.31 30.04 2i9h n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9h n GLY 31 N 0.00 1.72 0.17 0.00 0.00 -1.26 -4.87 105.19 100.94 2i9h n GLY 31 Ca 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.71 2i9h n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9h h PRO 32 N 0.00 0.00 -0.48 1.61 0.13 -1.98 -3.05 132.00 128.23 2i9h h PRO 32 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.27 2i9h h PRO 32 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2i9h h PRO 32 CO 0.00 0.00 0.46 0.00 -0.23 0.00 0.00 178.00 178.23 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.79 -1.89 -2.97 116.57 113.50 2i9h h LYS 34 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2i9h h LYS 34 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2i9h h LYS 34 CO -0.00 0.00 0.00 -0.12 -1.08 0.00 0.00 179.45 178.25 2i9h n MET 35 N -2.59 0.71 0.09 3.15 1.56 0.17 -2.72 117.12 117.49 2i9h n MET 35 Ca 0.03 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.47 2i9h n MET 35 Cb 0.38 -1.40 -0.03 0.00 2.15 0.00 0.00 33.22 34.32 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 0.82 -0.85 1.12 2.04 -1.66 -3.36 117.51 115.61 2i9h h ILE 36 Ca 0.00 -2.26 0.22 0.00 1.00 0.00 0.00 64.86 63.82 2i9h h ILE 36 Cb 0.00 2.33 -0.14 0.00 -0.74 0.00 0.00 36.82 38.27 2i9h h ILE 36 CO 0.00 0.46 0.20 0.00 0.00 0.00 0.00 178.15 178.81 2i9h h ALA 37 N 1.42 1.18 -0.18 1.87 0.00 -1.75 0.86 119.26 122.66 2i9h h ALA 37 Ca -0.06 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2i9h h ALA 37 Cb 1.50 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2i9h h ALA 37 CO 0.06 -0.45 -0.65 -1.00 0.00 0.00 0.00 179.25 177.22 2i9h h PRO 38 N 0.20 0.65 0.40 0.00 0.13 -1.83 -2.98 132.00 128.57 2i9h h PRO 38 Ca 0.52 -0.47 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2i9h h PRO 38 Cb 1.02 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2i9h h PRO 38 CO -0.65 1.09 -0.19 0.52 -0.23 0.00 0.00 178.00 178.54 2i9h h MET 39 N 0.48 -0.51 -1.01 0.86 2.86 -1.03 -1.97 114.93 114.61 2i9h h MET 39 Ca -0.02 0.04 0.29 0.00 -2.06 0.00 0.00 59.70 57.95 2i9h h MET 39 Cb 1.24 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.97 2i9h h MET 39 CO 0.13 -0.24 0.88 0.82 1.06 0.00 0.00 176.91 179.56 2i9h h ILE 40 N -0.74 0.26 0.10 -1.22 2.04 0.58 0.87 117.51 119.40 2i9h h ILE 40 Ca -0.05 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.54 2i9h h ILE 40 Cb 0.51 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2i9h h ILE 40 CO 0.09 0.00 -1.27 -0.08 0.00 0.00 0.00 178.15 176.89 2i9h h GLU 41 N 0.00 0.21 0.00 2.37 4.81 -1.26 -3.28 114.58 117.43 2i9h h GLU 41 Ca 0.48 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2i9h h GLU 41 Cb 2.24 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 31.75 2i9h h GLU 41 CO -0.01 1.14 -0.10 0.87 -0.73 0.00 0.00 179.01 180.18 2i9h h LYS 42 N 0.06 0.00 0.00 1.92 1.57 0.15 -2.49 116.57 117.78 2i9h h LYS 42 Ca -0.14 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2i9h h LYS 42 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 2i9h h LYS 42 CO 0.18 0.10 -0.64 0.74 -0.57 0.00 0.00 179.45 179.26 2i9h h PHE 43 N 0.00 0.00 0.00 -1.35 -1.00 -1.54 -3.25 116.94 109.80 2i9h h PHE 43 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2i9h h PHE 43 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 2i9h h PHE 43 CO 0.00 0.19 0.00 0.43 -1.61 0.00 0.00 178.31 177.32 2i9h n SER 44 N -2.96 0.29 0.07 2.17 7.64 -0.94 -1.65 113.62 118.25 2i9h n SER 44 Ca 0.00 0.58 0.04 0.00 1.01 0.00 0.00 58.87 60.50 2i9h n SER 44 Cb 0.63 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 2i9h n SER 44 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2i9h h GLU 45 N 0.00 0.00 0.10 1.43 4.81 -1.66 -2.37 114.58 116.89 2i9h h GLU 45 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2i9h h GLU 45 Cb 0.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2i9h h GLU 45 CO 0.00 0.22 -1.96 1.04 -0.73 0.00 0.00 179.01 177.58 2i9h n GLN 46 N -2.87 0.74 -2.31 1.92 6.02 -0.75 -4.47 117.38 115.65 2i9h n GLN 46 Ca -0.05 0.27 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 2i9h n GLN 46 Cb 0.73 -1.72 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 -3.40 2.66 -0.57 1.08 4.01 -0.66 -4.88 117.16 115.39 2i9h n TYR 47 Ca -0.29 -2.53 0.45 0.00 -0.16 0.00 0.00 57.90 55.36 2i9h n TYR 47 Cb 1.05 -0.25 0.70 0.00 -0.31 0.00 0.00 39.34 40.53 2i9h n TYR 47 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2i9h n PRO 48 N -0.58 0.00 -0.26 -0.72 -0.02 -0.89 0.12 135.00 132.66 2i9h n PRO 48 Ca 0.35 1.00 0.05 0.00 -2.02 0.00 0.00 63.50 62.89 2i9h n PRO 48 Cb 0.84 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.89 -6.58 -0.52 7.50 -1.90 -3.42 115.11 111.09 2i9h h GLN 49 Ca 0.80 -0.05 -0.52 0.00 0.50 0.00 0.00 58.65 59.38 2i9h h GLN 49 Cb 3.39 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 30.70 2i9h h GLN 49 CO -0.01 0.59 -0.05 0.00 -1.50 0.00 0.00 178.83 177.86 2i9h s ALA 50 N -5.82 3.52 -0.24 3.87 0.00 0.33 -4.76 121.76 118.66 2i9h s ALA 50 Ca -0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2i9h s ALA 50 Cb 0.20 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2i9h s ALA 50 CO 0.79 0.27 0.27 -0.51 0.00 0.00 0.00 175.76 176.58 2i9h s ASP 51 N -2.85 6.21 -0.47 0.00 1.11 -1.11 -4.96 116.67 114.60 2i9h s ASP 51 Ca 0.48 0.23 -0.15 0.00 0.18 0.00 0.00 52.55 53.29 2i9h s ASP 51 Cb -0.11 -2.16 0.08 0.00 1.07 0.00 0.00 42.92 41.80 2i9h s ASP 51 CO 0.27 -0.04 0.39 -0.36 1.18 0.00 0.00 175.17 176.61 2i9h s PHE 52 N 1.43 3.26 0.49 4.23 0.40 -1.26 -1.66 117.98 124.87 2i9h s PHE 52 Ca 0.12 -1.06 0.03 0.00 -0.60 0.00 0.00 56.93 55.42 2i9h s PHE 52 Cb -0.15 -3.23 0.03 0.00 0.51 0.00 0.00 43.02 40.18 2i9h s PHE 52 CO 0.07 -0.83 0.22 0.66 0.70 0.00 0.00 175.22 176.04 2i9h n TYR 53 N 5.17 0.03 -4.04 0.36 4.01 -1.15 -3.45 117.16 118.10 2i9h n TYR 53 Ca -0.12 -2.19 -0.13 0.00 -0.16 0.00 0.00 57.90 55.30 2i9h n TYR 53 Cb 0.43 -0.37 -0.13 0.00 -0.31 0.00 0.00 39.34 38.96 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 -3.90 0.31 -0.09 -0.72 1.02 0.34 -2.88 119.74 113.81 2i9h s LYS 54 Ca 0.17 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2i9h s LYS 54 Cb -0.01 -0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.05 2i9h s LYS 54 CO 0.11 0.05 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.40 2i9h s LEU 55 N -0.50 3.46 -0.38 3.17 1.98 0.38 -0.11 118.68 126.68 2i9h s LEU 55 Ca -0.03 0.08 -0.19 0.00 -2.89 0.00 0.00 54.13 51.10 2i9h s LEU 55 Cb -0.04 -1.79 0.01 0.00 0.66 0.00 0.00 46.19 45.03 2i9h s LEU 55 CO -0.00 0.35 0.56 -0.62 -1.89 0.00 0.00 176.35 174.74 2i9h s ASP 56 N -0.69 6.33 0.00 3.68 2.15 -1.19 -3.84 116.67 123.11 2i9h s ASP 56 Ca 0.11 -0.12 0.20 0.00 0.43 0.00 0.00 52.55 53.17 2i9h s ASP 56 Cb -0.12 -2.29 1.01 0.00 -0.30 0.00 0.00 42.92 41.23 2i9h s ASP 56 CO 0.02 -0.57 1.64 0.52 -0.17 0.00 0.00 175.17 176.61 2i9h n VAL 57 N 5.55 0.40 -0.12 1.11 0.31 -1.23 -0.02 118.33 124.33 2i9h n VAL 57 Ca -0.04 0.10 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 2i9h n VAL 57 Cb 0.48 -0.76 -0.11 0.00 -0.91 0.00 0.00 33.84 32.54 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2i9h n ASP 58 N -1.31 1.97 0.05 4.52 2.03 -1.26 -3.86 116.55 118.68 2i9h n ASP 58 Ca 0.09 0.21 -0.12 0.00 0.52 0.00 0.00 54.79 55.50 2i9h n ASP 58 Cb 0.17 -0.73 -0.13 0.00 -0.72 0.00 0.00 41.12 39.70 2i9h n ASP 58 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2i9h h GLU 59 N -0.63 0.11 -2.28 -0.67 4.57 -1.88 -3.37 114.58 110.42 2i9h h GLU 59 Ca -0.59 -0.19 -0.59 0.00 -1.18 0.00 0.00 59.36 56.80 2i9h h GLU 59 Cb 1.69 0.07 -0.42 0.00 -0.16 0.00 0.00 28.75 29.93 2i9h h GLU 59 CO -0.26 0.95 -0.62 1.28 -1.18 0.00 0.00 179.01 179.19 2i9h n LEU 60 N -3.34 4.54 0.00 1.64 4.32 0.97 -4.83 117.00 120.30 2i9h n LEU 60 Ca -0.10 -5.68 0.08 0.00 -0.02 0.00 0.00 56.01 50.29 2i9h n LEU 60 Cb 1.01 -0.57 0.38 0.00 -1.62 0.00 0.00 43.42 42.62 2i9h n LEU 60 CO 0.48 2.35 0.75 0.61 -1.22 0.00 0.00 177.39 180.37 2i9h n GLY 61 N -0.25 -0.96 0.09 -0.72 0.00 -1.25 -2.57 105.19 99.52 2i9h n GLY 61 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.06 1.61 3.32 -1.91 -3.27 116.42 116.24 2i9h h ASP 62 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2i9h h ASP 62 Cb 0.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.79 2i9h h ASP 62 CO 0.00 0.83 -0.60 0.58 -1.72 0.00 0.00 179.24 178.33 2i9h h VAL 63 N 0.00 1.51 -0.19 -1.35 2.07 -1.88 0.15 116.25 116.57 2i9h h VAL 63 Ca -0.10 -2.29 0.05 0.00 0.82 0.00 0.00 66.70 65.19 2i9h h VAL 63 Cb 1.72 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 34.44 2i9h h VAL 63 CO 0.09 0.65 0.23 0.00 0.02 0.00 0.00 177.57 178.56 2i9h h ALA 64 N 0.18 1.76 0.12 1.67 0.00 -1.70 -1.16 119.26 120.14 2i9h h ALA 64 Ca -0.09 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 2i9h h ALA 64 Cb 1.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2i9h h ALA 64 CO 0.12 -0.33 -1.99 0.94 0.00 0.00 0.00 179.25 177.99 2i9h n GLN 65 N -3.69 0.76 -0.04 0.00 7.27 -1.19 0.14 117.38 120.62 2i9h n GLN 65 Ca 0.02 0.27 -0.09 0.00 0.07 0.00 0.00 57.00 57.27 2i9h n GLN 65 Cb 0.35 -1.71 -0.02 0.00 2.41 0.00 0.00 30.24 31.27 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 0.05 0.13 0.00 3.69 2.10 0.18 -0.29 116.57 122.43 2i9h h LYS 66 Ca -0.43 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2i9h h LYS 66 Cb 2.02 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.32 2i9h h LYS 66 CO 0.08 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 177.71 2i9h n ASN 67 N -5.08 0.00 -2.59 7.07 3.02 -0.58 -4.89 115.26 112.21 2i9h n ASN 67 Ca -0.02 -0.37 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 2i9h n ASN 67 Cb 0.09 -0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.19 -5.35 0.00 3.52 1.02 -0.12 -4.99 120.64 113.53 2i9h n GLU 68 Ca 0.16 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2i9h n GLU 68 Cb 0.18 -4.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.82 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 -4.15 0.00 -1.91 2.62 0.31 0.37 -4.89 118.33 110.68 2i9h n VAL 69 Ca -0.00 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2i9h n VAL 69 Cb 0.54 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.04 -2.61 -0.16 4.52 3.41 -0.81 -4.91 113.62 112.02 2i9h n SER 70 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2i9h n SER 70 Cb 0.00 -2.41 0.00 0.00 -0.26 0.00 0.00 64.21 61.54 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 -1.28 0.00 -2.87 7.33 0.00 -1.26 -5.07 120.51 117.36 2i9h n ALA 71 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2i9h n ALA 71 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 2.85 0.29 0.00 0.00 0.23 -1.26 -3.82 119.30 117.59 2i9h s MET 72 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 55.69 54.58 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 -0.43 0.00 -0.35 -2.03 0.00 0.00 175.02 172.21 2i9h n PRO 73 N 3.89 2.13 -3.57 3.16 -0.04 -1.26 -4.86 135.00 134.45 2i9h n PRO 73 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2i9h n PRO 73 Cb 0.62 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.03 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 1.16 0.03 -0.17 0.52 2.01 -1.26 -4.12 115.64 113.81 2i9h s THR 74 Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2i9h s THR 74 Cb 0.00 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2i9h s THR 74 CO 0.00 -0.14 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.82 2i9h s LEU 75 N -2.09 2.10 -0.12 4.42 1.43 -1.14 -2.12 118.68 121.17 2i9h s LEU 75 Ca -0.04 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2i9h s LEU 75 Cb -0.00 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2i9h s LEU 75 CO -0.03 0.02 -0.22 -0.76 0.23 0.00 0.00 176.35 175.59 2i9h s LEU 76 N 1.17 2.20 -0.09 1.79 1.43 -0.03 -1.76 118.68 123.40 2i9h s LEU 76 Ca 0.02 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2i9h s LEU 76 Cb -0.14 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2i9h s LEU 76 CO -0.10 0.14 -0.05 -0.76 0.23 0.00 0.00 176.35 175.81 2i9h s LEU 77 N 0.48 3.24 -0.04 1.79 1.02 -0.91 -1.34 118.68 122.92 2i9h s LEU 77 Ca -0.14 -0.01 -0.00 0.00 0.02 0.00 0.00 54.13 53.99 2i9h s LEU 77 Cb -0.17 -1.72 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2i9h s LEU 77 CO 0.06 0.33 0.01 -0.36 0.02 0.00 0.00 176.35 176.40 2i9h s PHE 78 N -0.63 0.36 -0.16 0.29 0.08 -1.06 -1.18 117.98 115.68 2i9h s PHE 78 Ca 0.10 -0.00 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 2i9h s PHE 78 Cb -0.12 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 2i9h s PHE 78 CO 0.02 -0.17 -0.05 0.15 -0.10 0.00 0.00 175.22 175.07 2i9h s LYS 79 N 1.32 3.61 -1.24 0.44 1.02 -1.19 -2.04 119.74 121.66 2i9h s LYS 79 Ca -0.06 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 2i9h s LYS 79 Cb -0.13 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2i9h s LYS 79 CO -0.02 0.18 0.63 0.09 -0.92 0.00 0.00 175.35 175.31 2i9h n ASN 80 N 3.69 -3.67 -0.52 2.83 4.13 -1.18 0.39 115.26 120.93 2i9h n ASN 80 Ca -0.17 -1.18 -0.07 0.00 1.68 0.00 0.00 54.58 54.84 2i9h n ASN 80 Cb 0.52 -2.36 -0.03 0.00 -1.54 0.00 0.00 39.78 36.38 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 -2.00 0.69 0.00 7.41 0.00 0.79 -3.91 105.19 108.17 2i9h n GLY 81 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 3.72 -3.75 1.61 4.76 0.16 -4.65 118.16 119.57 2i9h n LYS 82 Ca -0.07 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 2i9h n LYS 82 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 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 2.15 2.36 0.29 1.97 2.56 -1.26 -3.17 118.70 123.60 2i9h s GLU 83 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 54.97 53.19 2i9h s GLU 83 Cb 0.00 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2i9h s GLU 83 CO 0.00 -0.38 0.00 0.28 -0.56 0.00 0.00 175.26 174.60 2i9h n VAL 84 N -1.62 0.00 -3.54 3.70 0.31 -0.33 -3.52 118.33 113.33 2i9h n VAL 84 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 2i9h n VAL 84 Cb 0.63 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.93 -1.92 -0.20 3.52 0.00 -1.22 -5.00 121.76 115.01 2i9h s ALA 85 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2i9h s ALA 85 Cb 0.00 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.30 2i9h s ALA 85 CO 0.00 -0.63 -0.13 -1.59 0.00 0.00 0.00 175.76 173.41 2i9h s LYS 86 N -2.73 2.34 -0.50 0.00 -2.85 -1.26 -2.14 119.74 112.60 2i9h s LYS 86 Ca 0.06 -0.93 0.04 0.00 -1.00 0.00 0.00 55.97 54.15 2i9h s LYS 86 Cb -0.01 -2.53 0.17 0.00 -2.06 0.00 0.00 37.83 33.40 2i9h s LYS 86 CO -0.07 -0.39 0.38 0.08 0.10 0.00 0.00 175.35 175.45 2i9h s VAL 87 N 1.31 1.14 -0.69 1.79 1.01 -0.72 -5.04 120.40 119.21 2i9h s VAL 87 Ca -0.01 -3.10 -0.25 0.00 0.00 0.00 0.00 61.98 58.62 2i9h s VAL 87 Cb -0.16 -1.77 -0.13 0.00 0.00 0.00 0.00 36.38 34.32 2i9h s VAL 87 CO -0.09 -1.15 2.42 0.55 0.00 0.00 0.00 175.10 176.84 2i9h n VAL 88 N 2.65 -0.04 0.00 2.92 3.14 -1.26 -2.90 118.33 122.84 2i9h n VAL 88 Ca 0.25 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2i9h n VAL 88 Cb 0.43 -2.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.10 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 6.35 3.34 2.20 7.55 0.00 -1.26 -4.85 105.19 118.52 2i9h n GLY 89 Ca 0.45 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 5.71 -1.70 4.61 0.00 -1.26 -4.56 120.51 123.31 2i9h n ALA 90 Ca 0.00 -2.91 -0.42 0.00 0.00 0.00 0.00 53.44 50.11 2i9h n ALA 90 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 2i9h n ALA 90 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2i9h s ASN 91 N -1.31 5.42 -0.50 0.00 3.04 -1.26 -4.72 114.94 115.61 2i9h s ASN 91 Ca 0.56 1.63 -0.05 0.00 0.04 0.00 0.00 52.86 55.04 2i9h s ASN 91 Cb 0.46 -2.51 -0.17 0.00 -1.54 0.00 0.00 41.25 37.48 2i9h s ASN 91 CO 0.06 -2.03 1.17 -2.65 -3.04 0.00 0.00 177.10 170.61 2i9h n PRO 92 N 8.74 0.00 0.00 0.43 -0.02 -1.26 -2.96 135.00 139.93 2i9h n PRO 92 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2i9h n PRO 92 Cb 0.47 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 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 3.18 0.00 -0.01 3.55 0.00 -1.26 -5.00 120.51 120.97 2i9h n ALA 93 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.77 2i9h n ALA 93 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 2.27 0.19 0.00 0.00 -1.15 -4.45 120.51 117.36 2i9h n ALA 94 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2i9h n ALA 94 Cb 0.00 0.46 0.45 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.02 0.00 0.01 0.00 6.09 -1.80 0.83 117.51 122.61 2i9h h ILE 95 Ca -0.04 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.18 2i9h h ILE 95 Cb 1.06 0.37 -0.04 0.00 0.47 0.00 0.00 36.82 38.67 2i9h h ILE 95 CO -0.01 0.00 -1.48 2.29 -3.07 0.00 0.00 178.15 175.88 2i9h n LYS 96 N -2.19 0.58 0.10 2.19 2.85 -1.26 -3.83 118.16 116.59 2i9h n LYS 96 Ca -0.01 0.52 -0.04 0.00 -1.05 0.00 0.00 58.31 57.72 2i9h n LYS 96 Cb 0.29 -1.71 0.14 0.00 -0.65 0.00 0.00 35.03 33.09 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 -0.92 0.19 -0.14 -1.58 4.20 -1.42 -2.73 115.11 112.70 2i9h h GLN 97 Ca -0.40 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 2i9h h GLN 97 Cb 1.40 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 2i9h h GLN 97 CO -0.22 0.73 0.03 0.00 -0.67 0.00 0.00 178.83 178.70 2i9h h ALA 98 N 1.24 1.79 -0.01 3.87 0.00 0.43 -0.17 119.26 126.41 2i9h h ALA 98 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i9h h ALA 98 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2i9h h ALA 98 CO 0.09 0.17 -0.33 -0.89 0.00 0.00 0.00 179.25 178.29 2i9h n ILE 99 N -4.45 0.00 -0.03 0.00 5.41 -1.09 -3.82 119.36 115.38 2i9h n ILE 99 Ca -0.01 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.63 2i9h n ILE 99 Cb 0.13 0.34 -0.01 0.00 -0.71 0.00 0.00 39.64 39.40 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 -0.92 0.22 -0.23 -1.39 0.00 -0.16 -1.86 120.51 116.17 2i9h n ALA 100 Ca 0.10 -0.27 0.31 0.00 0.00 0.00 0.00 53.44 53.58 2i9h n ALA 100 Cb 0.34 0.01 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 -1.53 2.94 0.00 0.00 0.00 -1.54 -2.98 119.26 116.14 2i9h h ALA 101 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i9h h ALA 101 Cb 0.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2i9h h ALA 101 CO 0.00 -1.24 -0.11 0.09 0.00 0.00 0.00 179.25 177.99 2i9h n ASN 102 N -4.20 0.40 0.00 0.00 3.02 -1.25 -5.14 115.26 108.09 2i9h n ASN 102 Ca 0.21 0.34 0.08 0.00 -0.03 0.00 0.00 54.58 55.18 2i9h n ASN 102 Cb 1.07 -0.58 0.49 0.00 -0.61 0.00 0.00 39.78 40.15 2i9h n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64