#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 0.72 0.12 3.17 0.11 -1.26 -4.64 120.40 118.62 2i9h s VAL 2 Ca 0.00 -0.72 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 2i9h s VAL 2 Cb 0.00 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2i9h s VAL 2 CO 0.00 -0.03 0.31 -0.89 -3.33 0.00 0.00 175.10 171.15 2i9h s THR 3 N -0.70 0.10 0.05 5.04 2.01 -1.23 -5.06 115.64 115.85 2i9h s THR 3 Ca -0.01 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 2i9h s THR 3 Cb -0.06 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.07 2i9h s THR 3 CO 0.00 -0.43 0.07 0.00 -0.69 0.00 0.00 174.62 173.57 2i9h n GLN 4 N -0.17 0.57 -3.85 4.92 6.02 -1.26 -0.21 117.38 123.40 2i9h n GLN 4 Ca -0.14 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.00 56.43 2i9h n GLN 4 Cb 0.63 -0.05 -0.17 0.00 1.02 0.00 0.00 30.24 31.67 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 0.00 0.81 -0.21 1.08 0.08 0.31 -4.57 117.98 115.48 2i9h s PHE 5 Ca 0.05 -0.26 0.12 0.00 0.12 0.00 0.00 56.93 56.95 2i9h s PHE 5 Cb -0.00 -0.85 -0.16 0.00 -0.57 0.00 0.00 43.02 41.43 2i9h s PHE 5 CO 0.03 -0.34 0.34 1.63 -0.10 0.00 0.00 175.22 176.79 2i9h n LYS 6 N 4.95 1.38 -3.73 0.44 4.76 -1.26 -2.70 118.16 121.99 2i9h n LYS 6 Ca -0.11 -0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.09 2i9h n LYS 6 Cb 0.50 -1.20 -0.17 0.00 -1.84 0.00 0.00 35.03 32.33 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 -2.56 -0.07 0.59 -0.18 -4.23 -1.26 -4.70 115.64 103.24 2i9h s THR 7 Ca -0.01 0.31 0.29 0.00 -1.18 0.00 0.00 61.69 61.10 2i9h s THR 7 Cb 0.08 -0.13 0.40 0.00 1.34 0.00 0.00 72.50 74.19 2i9h s THR 7 CO 0.49 0.14 1.82 0.00 -0.54 0.00 0.00 174.62 176.52 2i9h h ALA 8 N 7.82 2.34 -0.00 3.99 0.00 -1.95 0.60 119.26 132.06 2i9h h ALA 8 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2i9h h ALA 8 Cb 1.12 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2i9h h ALA 8 CO 0.33 -0.90 0.06 0.77 0.00 0.00 0.00 179.25 179.52 2i9h h SER 9 N 0.00 0.00 0.15 0.00 0.02 -1.99 0.14 113.55 111.88 2i9h h SER 9 Ca 0.27 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.86 2i9h h SER 9 Cb 1.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 2i9h h SER 9 CO -0.00 0.00 -1.99 -0.62 -1.14 0.00 0.00 176.83 173.08 2i9h n GLU 10 N -3.09 0.75 -0.04 3.45 1.02 0.21 -4.01 120.64 118.93 2i9h n GLU 10 Ca -0.03 0.26 0.10 0.00 -0.02 0.00 0.00 57.16 57.47 2i9h n GLU 10 Cb 0.13 -1.71 0.47 0.00 -0.02 0.00 0.00 31.44 30.31 2i9h n GLU 10 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2i9h n PHE 11 N -3.43 0.09 -0.01 -0.32 7.35 -0.57 -3.25 117.46 117.32 2i9h n PHE 11 Ca -0.31 -0.05 -0.10 0.00 -0.76 0.00 0.00 57.45 56.23 2i9h n PHE 11 Cb 1.05 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.74 2i9h n PHE 11 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2i9h h ASP 12 N 1.04 0.07 0.24 -2.13 3.58 -0.90 -3.38 116.42 114.94 2i9h h ASP 12 Ca 0.00 -0.15 -0.34 0.00 0.42 0.00 0.00 57.03 56.96 2i9h h ASP 12 Cb 0.23 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2i9h h ASP 12 CO 0.00 1.13 -1.90 0.77 -2.88 0.00 0.00 179.24 176.37 2i9h h SER 13 N 0.01 0.31 -0.99 2.28 4.64 -1.74 -3.18 113.55 114.88 2i9h h SER 13 Ca -0.30 -0.68 0.28 0.00 -0.47 0.00 0.00 61.79 60.62 2i9h h SER 13 Cb 2.01 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.87 2i9h h SER 13 CO 0.08 1.61 0.55 0.00 -0.87 0.00 0.00 176.83 178.20 2i9h h ALA 14 N 0.35 1.83 0.00 5.18 0.00 -1.73 -2.46 119.26 122.42 2i9h h ALA 14 Ca -0.38 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2i9h h ALA 14 Cb 2.03 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 2i9h h ALA 14 CO 0.09 -0.43 -0.82 -0.84 0.00 0.00 0.00 179.25 177.25 2i9h h ILE 15 N 0.43 1.08 -0.24 0.00 3.07 -1.73 -3.41 117.51 116.70 2i9h h ILE 15 Ca 0.68 -2.12 -0.45 0.00 1.55 0.00 0.00 64.86 64.53 2i9h h ILE 15 Cb 1.43 2.34 -0.08 0.00 -0.27 0.00 0.00 36.82 40.25 2i9h h ILE 15 CO -0.55 0.37 1.72 0.00 -1.05 0.00 0.00 178.15 178.63 2i9h n ALA 16 N -3.18 0.52 -3.17 0.16 0.00 -0.93 0.33 120.51 114.24 2i9h n ALA 16 Ca -0.23 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 2i9h n ALA 16 Cb 0.58 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 8.04 -1.32 -2.17 0.00 6.02 -1.26 -4.65 117.38 122.04 2i9h n GLN 17 Ca 0.61 1.34 -0.01 0.00 -0.01 0.00 0.00 57.00 58.93 2i9h n GLN 17 Cb 0.14 -2.24 0.07 0.00 1.02 0.00 0.00 30.24 29.22 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 0.73 -0.84 0.00 1.08 2.03 -1.17 -4.89 116.55 113.49 2i9h n ASP 18 Ca -0.01 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.62 2i9h n ASP 18 Cb 0.47 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.81 0.00 -3.44 -0.67 5.02 -1.26 -4.59 118.16 112.41 2i9h n LYS 19 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.78 2i9h n LYS 19 Cb 0.71 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.62 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 4.50 -0.17 -0.35 2.96 -1.26 -2.81 118.68 121.55 2i9h s LEU 20 Ca 0.00 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 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 -0.32 0.08 -0.69 -1.32 0.00 0.00 176.35 174.10 2i9h s VAL 21 N 1.93 4.95 -0.42 1.68 1.01 -0.88 -1.82 120.40 126.86 2i9h s VAL 21 Ca 0.10 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2i9h s VAL 21 Cb -0.17 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2i9h s VAL 21 CO 0.11 0.50 0.30 -0.69 0.00 0.00 0.00 175.10 175.32 2i9h s VAL 22 N 0.03 4.89 -0.16 2.92 1.01 0.21 -2.54 120.40 126.75 2i9h s VAL 22 Ca 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2i9h s VAL 22 Cb -0.12 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2i9h s VAL 22 CO 0.00 -0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 173.89 2i9h s VAL 23 N 1.59 3.07 -0.21 2.92 1.01 0.09 -0.63 120.40 128.24 2i9h s VAL 23 Ca 0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 2i9h s VAL 23 Cb -0.21 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 2i9h s VAL 23 CO 0.07 0.50 0.14 -0.62 0.00 0.00 0.00 175.10 175.19 2i9h s ASP 24 N 0.70 6.20 -0.86 3.32 -1.08 -1.18 -0.16 116.67 123.60 2i9h s ASP 24 Ca -0.05 0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 52.17 2i9h s ASP 24 Cb -0.15 -2.10 0.32 0.00 -1.46 0.00 0.00 42.92 39.53 2i9h s ASP 24 CO 0.02 0.15 2.06 0.49 0.52 0.00 0.00 175.17 178.41 2i9h n PHE 25 N 3.68 2.82 -1.72 -5.34 3.01 -1.08 0.14 117.46 118.97 2i9h n PHE 25 Ca -0.16 -2.35 -0.42 0.00 1.01 0.00 0.00 57.45 55.53 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 -0.29 2.57 -1.81 1.38 0.18 -1.25 -4.35 117.16 113.59 2i9h n TYR 26 Ca 0.52 0.42 -0.39 0.00 1.88 0.00 0.00 57.90 60.33 2i9h n TYR 26 Cb 0.26 -2.50 0.02 0.00 -0.38 0.00 0.00 39.34 36.74 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 -0.55 3.13 -0.41 -3.48 0.00 -1.26 -3.51 121.76 115.68 2i9h s ALA 27 Ca 0.60 1.41 0.19 0.00 0.00 0.00 0.00 51.96 54.17 2i9h s ALA 27 Cb -0.55 -3.58 0.95 0.00 0.00 0.00 0.00 23.12 19.95 2i9h s ALA 27 CO 0.56 -1.21 1.58 -2.37 0.00 0.00 0.00 175.76 174.31 2i9h n THR 28 N -0.39 1.11 0.00 0.00 5.66 -1.26 -4.60 114.28 114.79 2i9h n THR 28 Ca 0.06 0.55 0.00 0.00 -3.05 0.00 0.00 64.05 61.62 2i9h n THR 28 Cb 0.43 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 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 -2.12 0.00 0.00 1.09 4.27 -1.26 -4.90 117.44 114.52 2i9h n TRP 29 Ca -0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2i9h n TRP 29 Cb 0.09 0.00 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 2.18 0.59 0.00 0.00 -1.26 -4.87 105.19 101.83 2i9h n GLY 31 Ca 0.00 -0.61 0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.02 -0.84 1.61 0.11 -1.99 0.54 132.00 131.44 2i9h h PRO 32 Ca 0.00 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 2i9h h PRO 32 Cb 0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2i9h h PRO 32 CO 0.00 0.01 0.54 0.00 -0.21 0.00 0.00 178.00 178.35 2i9h h LYS 34 N 0.73 0.00 0.00 0.00 1.57 -0.23 -2.47 116.57 116.16 2i9h h LYS 34 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2i9h h LYS 34 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2i9h h LYS 34 CO -0.16 0.00 0.00 -0.12 -0.57 0.00 0.00 179.45 178.60 2i9h n MET 35 N -2.62 0.72 0.04 3.15 1.56 0.97 -2.74 117.12 118.20 2i9h n MET 35 Ca 0.02 0.01 0.12 0.00 -0.27 0.00 0.00 57.70 57.58 2i9h n MET 35 Cb 0.29 -1.50 0.25 0.00 2.15 0.00 0.00 33.22 34.41 2i9h n MET 35 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2i9h n ILE 36 N -1.05 0.21 -0.32 1.12 5.41 -0.93 -4.13 119.36 119.67 2i9h n ILE 36 Ca 0.18 -0.15 -0.01 0.00 1.00 0.00 0.00 62.75 63.77 2i9h n ILE 36 Cb 0.11 -0.06 0.12 0.00 -0.71 0.00 0.00 39.64 39.10 2i9h n ILE 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i9h h ALA 37 N 2.73 1.17 -0.22 -1.39 0.00 -1.72 1.00 119.26 120.82 2i9h h ALA 37 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2i9h h ALA 37 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2i9h h ALA 37 CO 0.00 0.40 -0.62 -1.00 0.00 0.00 0.00 179.25 178.03 2i9h h PRO 38 N 1.08 0.76 0.62 0.00 0.13 -1.83 -2.97 132.00 129.79 2i9h h PRO 38 Ca 0.36 -0.52 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2i9h h PRO 38 Cb 0.04 0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.25 2i9h h PRO 38 CO -0.13 1.15 -0.30 0.52 -0.23 0.00 0.00 178.00 179.01 2i9h h MET 39 N 0.56 -0.80 -1.14 0.86 2.86 -1.68 -2.12 114.93 113.46 2i9h h MET 39 Ca -0.01 0.05 0.33 0.00 -2.06 0.00 0.00 59.70 58.02 2i9h h MET 39 Cb 1.22 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 33.02 2i9h h MET 39 CO 0.13 -0.50 0.92 0.82 1.06 0.00 0.00 176.91 179.35 2i9h h ILE 40 N -0.98 0.28 0.00 -1.22 2.04 -0.86 0.99 117.51 117.75 2i9h h ILE 40 Ca -0.09 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 2i9h h ILE 40 Cb 0.68 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2i9h h ILE 40 CO 0.14 0.00 -0.94 -0.08 0.00 0.00 0.00 178.15 177.27 2i9h h GLU 41 N 0.00 0.00 0.00 2.37 4.81 -1.26 -3.25 114.58 117.26 2i9h h GLU 41 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2i9h h GLU 41 Cb 2.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.76 2i9h h GLU 41 CO -0.01 0.94 0.00 0.87 -0.73 0.00 0.00 179.01 180.08 2i9h h LYS 42 N 0.00 0.00 0.00 1.92 1.57 0.16 -3.06 116.57 117.17 2i9h h LYS 42 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2i9h h LYS 42 Cb 1.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 2i9h h LYS 42 CO 0.12 0.00 -1.06 1.19 -0.57 0.00 0.00 179.45 179.13 2i9h n PHE 43 N -2.40 0.92 0.41 -1.35 3.01 -1.07 -3.95 117.46 113.03 2i9h n PHE 43 Ca 0.03 0.27 0.05 0.00 1.01 0.00 0.00 57.45 58.82 2i9h n PHE 43 Cb 0.34 -0.94 0.24 0.00 -0.01 0.00 0.00 39.48 39.11 2i9h n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2i9h n SER 44 N -2.66 0.00 0.03 4.37 3.41 -1.15 -2.11 113.62 115.50 2i9h n SER 44 Ca -0.00 0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 59.04 2i9h n SER 44 Cb 0.56 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 2i9h n SER 44 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2i9h n GLU 45 N -1.47 0.62 -0.01 4.33 0.28 -1.25 -2.92 120.64 120.23 2i9h n GLU 45 Ca 0.03 0.24 -0.06 0.00 -0.16 0.00 0.00 57.16 57.21 2i9h n GLU 45 Cb 0.12 -1.81 -0.12 0.00 1.43 0.00 0.00 31.44 31.06 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2i9h n GLN 46 N -2.91 0.63 -2.37 3.44 6.02 -0.90 -4.34 117.38 116.95 2i9h n GLN 46 Ca -0.10 0.26 -0.23 0.00 -0.01 0.00 0.00 57.00 56.92 2i9h n GLN 46 Cb 0.86 -1.79 0.01 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 -2.98 2.85 -0.33 1.08 4.01 -0.91 -4.90 117.16 115.98 2i9h n TYR 47 Ca -0.15 -2.74 0.31 0.00 -0.16 0.00 0.00 57.90 55.16 2i9h n TYR 47 Cb 0.98 -0.20 0.55 0.00 -0.31 0.00 0.00 39.34 40.36 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 -0.52 -0.05 0.03 -0.72 -0.02 -1.15 0.19 135.00 132.76 2i9h n PRO 48 Ca 0.36 1.18 0.07 0.00 -2.02 0.00 0.00 63.50 63.09 2i9h n PRO 48 Cb 0.78 -2.19 0.49 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.40 -6.02 -0.52 4.20 -1.90 -3.41 115.11 107.86 2i9h h GLN 49 Ca 0.76 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.87 2i9h h GLN 49 Cb 2.17 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.80 2i9h h GLN 49 CO -0.59 0.27 -0.05 0.00 -0.67 0.00 0.00 178.83 177.79 2i9h s ALA 50 N -5.39 3.50 -0.21 3.87 0.00 0.50 -4.39 121.76 119.65 2i9h s ALA 50 Ca -0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2i9h s ALA 50 Cb 0.18 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 2i9h s ALA 50 CO 0.72 0.16 0.61 -0.51 0.00 0.00 0.00 175.76 176.75 2i9h s ASP 51 N -0.13 6.64 -0.55 0.00 1.01 -0.75 -4.90 116.67 117.98 2i9h s ASP 51 Ca 0.30 0.78 -0.17 0.00 0.71 0.00 0.00 52.55 54.16 2i9h s ASP 51 Cb -0.18 -2.34 0.11 0.00 1.01 0.00 0.00 42.92 41.52 2i9h s ASP 51 CO 0.16 -0.28 0.59 -0.36 0.21 0.00 0.00 175.17 175.48 2i9h s PHE 52 N 2.02 3.13 0.40 4.23 0.40 -1.26 0.64 117.98 127.53 2i9h s PHE 52 Ca 0.27 -1.06 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 2i9h s PHE 52 Cb -0.16 -3.81 0.02 0.00 0.51 0.00 0.00 43.02 39.58 2i9h s PHE 52 CO 0.10 -1.12 0.13 0.66 0.70 0.00 0.00 175.22 175.69 2i9h n TYR 53 N 5.78 0.19 -4.02 0.36 4.01 0.20 -3.55 117.16 120.13 2i9h n TYR 53 Ca -0.11 -1.84 -0.08 0.00 -0.16 0.00 0.00 57.90 55.71 2i9h n TYR 53 Cb 0.42 -0.29 -0.10 0.00 -0.31 0.00 0.00 39.34 39.06 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 -3.51 0.58 -0.09 -0.72 1.02 0.70 -3.11 119.74 114.62 2i9h s LYS 54 Ca 0.10 -1.02 0.04 0.00 0.02 0.00 0.00 55.97 55.11 2i9h s LYS 54 Cb -0.01 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 2i9h s LYS 54 CO 0.06 -0.12 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.98 2i9h s LEU 55 N -2.55 2.25 -0.35 3.17 1.98 0.37 -0.53 118.68 123.02 2i9h s LEU 55 Ca 0.01 -0.47 -0.25 0.00 -2.89 0.00 0.00 54.13 50.54 2i9h s LEU 55 Cb 0.03 -1.45 0.01 0.00 0.66 0.00 0.00 46.19 45.45 2i9h s LEU 55 CO -0.08 0.21 0.87 -0.62 -1.89 0.00 0.00 176.35 174.84 2i9h s ASP 56 N 0.07 6.65 0.00 3.68 -1.08 -1.10 -3.77 116.67 121.12 2i9h s ASP 56 Ca -0.09 0.56 0.22 0.00 -0.52 0.00 0.00 52.55 52.71 2i9h s ASP 56 Cb -0.15 -2.44 1.13 0.00 -1.46 0.00 0.00 42.92 40.00 2i9h s ASP 56 CO 0.06 -0.78 1.69 0.52 0.52 0.00 0.00 175.17 177.18 2i9h n VAL 57 N 5.84 0.27 -0.12 1.11 0.31 -1.23 -0.48 118.33 124.03 2i9h n VAL 57 Ca 0.06 0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.21 2i9h n VAL 57 Cb 0.48 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 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 -1.23 1.74 0.02 4.52 2.03 -1.26 -3.41 116.55 118.96 2i9h n ASP 58 Ca 0.11 0.30 -0.19 0.00 0.52 0.00 0.00 54.79 55.53 2i9h n ASP 58 Cb 0.15 -0.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.74 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 -0.88 0.69 -0.72 -0.67 4.57 -1.90 -3.30 114.58 112.37 2i9h h GLU 59 Ca -0.57 -0.68 -0.50 0.00 -1.18 0.00 0.00 59.36 56.43 2i9h h GLU 59 Cb 1.49 0.18 -0.32 0.00 -0.16 0.00 0.00 28.75 29.94 2i9h h GLU 59 CO -0.35 1.27 -0.23 1.28 -1.18 0.00 0.00 179.01 179.81 2i9h n LEU 60 N -3.94 5.44 0.18 1.64 4.32 0.37 -4.76 117.00 120.25 2i9h n LEU 60 Ca -0.10 -4.42 0.18 0.00 -0.02 0.00 0.00 56.01 51.65 2i9h n LEU 60 Cb 0.81 -0.57 0.77 0.00 -1.62 0.00 0.00 43.42 42.81 2i9h n LEU 60 CO 0.54 1.76 1.16 1.23 -1.22 0.00 0.00 177.39 180.86 2i9h h GLY 61 N 1.87 0.00 2.00 -0.72 0.00 -1.57 0.17 103.07 104.82 2i9h h GLY 61 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 2i9h h GLY 61 CO 0.88 0.00 -0.32 -0.55 0.00 0.00 0.00 176.54 176.56 2i9h h ASP 62 N 0.00 0.00 1.24 0.19 3.32 -1.87 -2.25 116.42 117.06 2i9h h ASP 62 Ca 0.12 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 2i9h h ASP 62 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2i9h h ASP 62 CO -0.00 0.32 -0.74 0.58 -1.72 0.00 0.00 179.24 177.67 2i9h h VAL 63 N 0.00 1.28 0.00 -1.35 2.07 -1.03 -0.03 116.25 117.19 2i9h h VAL 63 Ca -0.00 -2.80 -0.08 0.00 0.82 0.00 0.00 66.70 64.64 2i9h h VAL 63 Cb 0.57 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2i9h h VAL 63 CO 0.04 0.73 -0.40 0.00 0.02 0.00 0.00 177.57 177.95 2i9h h ALA 64 N 1.26 0.94 0.06 1.67 0.00 -1.39 -2.73 119.26 119.07 2i9h h ALA 64 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 2i9h h ALA 64 Cb 1.56 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2i9h h ALA 64 CO 0.10 0.51 -1.85 0.94 0.00 0.00 0.00 179.25 178.94 2i9h n GLN 65 N -3.49 0.70 -0.02 0.00 7.27 -0.89 0.11 117.38 121.06 2i9h n GLN 65 Ca 0.00 0.28 -0.11 0.00 0.07 0.00 0.00 57.00 57.25 2i9h n GLN 65 Cb 0.55 -1.75 -0.05 0.00 2.41 0.00 0.00 30.24 31.40 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 0.04 0.19 -0.00 3.69 2.10 -0.96 -1.39 116.57 120.24 2i9h h LYS 66 Ca -0.35 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2i9h h LYS 66 Cb 2.03 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 2i9h h LYS 66 CO 0.09 0.16 -0.02 0.09 -2.00 0.00 0.00 179.45 177.76 2i9h n ASN 67 N -4.97 0.11 -2.99 7.07 3.02 -1.04 -4.91 115.26 111.54 2i9h n ASN 67 Ca -0.04 -0.51 -0.18 0.00 -0.03 0.00 0.00 54.58 53.82 2i9h n ASN 67 Cb 0.04 -0.16 0.07 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 -1.11 -6.17 -3.55 3.52 -0.58 -0.52 -4.99 120.64 107.23 2i9h n GLU 68 Ca 0.17 0.67 -0.41 0.00 -0.42 0.00 0.00 57.16 57.18 2i9h n GLU 68 Cb 0.21 -5.23 -0.11 0.00 -0.57 0.00 0.00 31.44 25.74 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 -3.27 4.74 -0.01 2.62 1.01 0.30 -4.86 120.40 120.93 2i9h s VAL 69 Ca 0.35 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2i9h s VAL 69 Cb -0.15 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2i9h s VAL 69 CO 0.59 -0.31 0.97 -0.24 0.00 0.00 0.00 175.10 176.12 2i9h n SER 70 N 5.04 0.16 -2.21 3.32 2.88 -1.26 -4.58 113.62 116.97 2i9h n SER 70 Ca -0.11 -2.00 -0.27 0.00 -1.33 0.00 0.00 58.87 55.15 2i9h n SER 70 Cb 0.46 -0.20 0.13 0.00 -0.75 0.00 0.00 64.21 63.85 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9h n ALA 71 N -0.09 5.78 -0.15 -1.46 0.00 -1.26 -5.02 120.51 118.30 2i9h n ALA 71 Ca 0.01 -2.98 -0.06 0.00 0.00 0.00 0.00 53.44 50.41 2i9h n ALA 71 Cb 0.68 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2i9h n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h n MET 72 N -0.93 0.00 -0.12 0.00 0.00 -1.26 -4.55 117.12 110.25 2i9h n MET 72 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.28 2i9h n MET 72 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 33.22 34.27 2i9h n MET 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2i9h n PRO 73 N 0.36 1.13 -3.54 3.17 -0.04 -1.26 -4.86 135.00 129.96 2i9h n PRO 73 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2i9h n PRO 73 Cb -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 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 0.25 0.00 -0.13 0.52 2.01 -1.26 -4.24 115.64 112.79 2i9h s THR 74 Ca 0.00 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2i9h s THR 74 Cb 0.00 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.29 2i9h s THR 74 CO 0.00 0.00 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.05 2i9h s LEU 75 N -2.74 1.53 -0.15 4.42 1.43 -1.06 -2.63 118.68 119.48 2i9h s LEU 75 Ca 0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2i9h s LEU 75 Cb -0.02 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.17 2i9h s LEU 75 CO -0.08 -0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.47 2i9h s LEU 76 N 1.45 2.11 0.04 1.79 1.43 0.77 -0.79 118.68 125.48 2i9h s LEU 76 Ca 0.02 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2i9h s LEU 76 Cb -0.13 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2i9h s LEU 76 CO -0.08 0.06 -0.03 -0.76 0.23 0.00 0.00 176.35 175.77 2i9h s LEU 77 N 0.92 3.33 -0.07 1.79 1.02 -0.15 -0.73 118.68 124.79 2i9h s LEU 77 Ca -0.04 -0.15 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 2i9h s LEU 77 Cb -0.15 -1.99 0.04 0.00 0.02 0.00 0.00 46.19 44.11 2i9h s LEU 77 CO -0.04 0.23 0.16 -0.36 0.02 0.00 0.00 176.35 176.36 2i9h s PHE 78 N -1.15 -0.18 -0.16 0.29 0.08 -1.05 -3.23 117.98 112.58 2i9h s PHE 78 Ca 0.21 0.52 -0.03 0.00 0.12 0.00 0.00 56.93 57.75 2i9h s PHE 78 Cb -0.11 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.23 2i9h s PHE 78 CO 0.12 -0.18 -0.05 0.15 -0.10 0.00 0.00 175.22 175.16 2i9h s LYS 79 N 1.26 3.62 -1.03 0.44 1.02 -1.15 -2.07 119.74 121.83 2i9h s LYS 79 Ca -0.08 -0.55 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 2i9h s LYS 79 Cb -0.12 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 2i9h s LYS 79 CO -0.06 0.22 0.70 0.09 -0.92 0.00 0.00 175.35 175.38 2i9h n ASN 80 N 3.59 -5.13 -1.60 2.83 4.13 -1.12 -0.51 115.26 117.44 2i9h n ASN 80 Ca -0.17 -0.99 -0.13 0.00 1.68 0.00 0.00 54.58 54.97 2i9h n ASN 80 Cb 0.52 -2.63 -0.05 0.00 -1.54 0.00 0.00 39.78 36.09 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 -1.80 0.88 0.00 7.41 0.00 1.01 -4.11 105.19 108.59 2i9h n GLY 81 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 2.89 -3.75 1.61 5.02 0.33 -4.68 118.16 117.51 2i9h n LYS 82 Ca -0.14 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 2i9h n LYS 82 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 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 1.39 2.34 0.44 1.97 2.12 -1.26 -2.95 118.70 122.75 2i9h s GLU 83 Ca 0.00 -1.82 0.00 0.00 0.36 0.00 0.00 54.97 53.51 2i9h s GLU 83 Cb 0.00 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.18 2i9h s GLU 83 CO 0.00 -0.44 0.00 1.55 -0.54 0.00 0.00 175.26 175.83 2i9h n VAL 84 N -1.67 0.00 -3.83 3.70 3.14 -1.20 -3.55 118.33 114.92 2i9h n VAL 84 Ca 0.01 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.30 2i9h n VAL 84 Cb 0.63 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.38 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i9h s ALA 85 N -2.00 -0.83 -0.16 1.55 0.00 -1.23 -5.04 121.76 114.05 2i9h s ALA 85 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 2i9h s ALA 85 Cb 0.00 0.91 0.06 0.00 0.00 0.00 0.00 23.12 24.08 2i9h s ALA 85 CO 0.00 -0.87 0.38 0.15 0.00 0.00 0.00 175.76 175.41 2i9h s LYS 86 N -3.92 0.36 -0.36 0.00 1.02 -1.26 -0.97 119.74 114.60 2i9h s LYS 86 Ca 0.13 0.73 0.02 0.00 0.02 0.00 0.00 55.97 56.87 2i9h s LYS 86 Cb -0.02 -0.03 0.15 0.00 -0.52 0.00 0.00 37.83 37.40 2i9h s LYS 86 CO 0.03 -0.15 0.32 0.08 -0.92 0.00 0.00 175.35 174.70 2i9h s VAL 87 N 1.32 -0.16 -0.84 3.17 1.01 0.03 -5.02 120.40 119.91 2i9h s VAL 87 Ca -0.09 -1.25 -0.26 0.00 0.00 0.00 0.00 61.98 60.38 2i9h s VAL 87 Cb -0.09 -0.83 -0.15 0.00 0.00 0.00 0.00 36.38 35.32 2i9h s VAL 87 CO -0.11 -0.73 2.35 0.54 0.00 0.00 0.00 175.10 177.14 2i9h s VAL 88 N 1.30 3.03 0.00 2.92 0.11 -1.26 -2.57 120.40 123.93 2i9h s VAL 88 Ca 0.17 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2i9h s VAL 88 Cb -0.18 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2i9h s VAL 88 CO -0.02 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 2i9h n GLY 89 N 6.73 2.34 2.52 6.54 0.00 -1.26 -4.86 105.19 117.19 2i9h n GLY 89 Ca 0.46 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 5.92 -2.28 4.61 0.00 -1.26 -4.56 120.51 122.94 2i9h n ALA 90 Ca 0.00 -2.84 -0.41 0.00 0.00 0.00 0.00 53.44 50.19 2i9h n ALA 90 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 19.45 16.18 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 2.95 7.28 0.61 0.00 2.47 -1.26 -4.68 114.94 122.31 2i9h s ASN 91 Ca 0.54 1.95 0.24 0.00 0.42 0.00 0.00 52.86 56.01 2i9h s ASN 91 Cb 0.14 -2.59 0.99 0.00 -1.45 0.00 0.00 41.25 38.34 2i9h s ASN 91 CO -0.04 -0.26 1.45 -0.65 -3.72 0.00 0.00 177.10 173.89 2i9h h PRO 92 N 5.85 0.00 -0.93 0.43 0.11 -1.98 0.71 132.00 136.20 2i9h h PRO 92 Ca -0.43 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.38 2i9h h PRO 92 Cb 1.21 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 2i9h h PRO 92 CO 0.75 0.00 0.38 0.00 -0.21 0.00 0.00 178.00 178.92 2i9h n ALA 93 N -2.15 4.55 0.06 -0.75 0.00 -1.26 -4.46 120.51 116.51 2i9h n ALA 93 Ca 0.15 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.56 2i9h n ALA 93 Cb 1.17 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.46 0.00 0.23 0.00 0.00 0.23 -4.88 120.51 115.63 2i9h n ALA 94 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.91 2i9h n ALA 94 Cb 1.30 0.00 0.39 0.00 0.00 0.00 0.00 19.45 21.14 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 -1.30 0.67 117.51 122.97 2i9h h ILE 95 Ca 0.00 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.24 2i9h h ILE 95 Cb 0.00 0.32 -0.04 0.00 0.47 0.00 0.00 36.82 37.57 2i9h h ILE 95 CO 0.00 0.00 -1.46 2.29 -3.07 0.00 0.00 178.15 175.91 2i9h n LYS 96 N -2.30 0.56 0.11 2.19 2.85 -1.26 -4.10 118.16 116.20 2i9h n LYS 96 Ca -0.01 0.49 -0.02 0.00 -1.05 0.00 0.00 58.31 57.72 2i9h n LYS 96 Cb 0.48 -1.68 0.22 0.00 -0.65 0.00 0.00 35.03 33.41 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 0.20 -0.49 -1.58 4.20 -1.46 -2.35 115.11 112.63 2i9h h GLN 97 Ca -0.38 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.27 2i9h h GLN 97 Cb 1.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2i9h h GLN 97 CO -0.23 0.60 0.32 0.00 -0.67 0.00 0.00 178.83 178.86 2i9h h ALA 98 N 1.39 1.82 0.00 3.87 0.00 0.08 0.10 119.26 126.52 2i9h h ALA 98 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i9h h ALA 98 Cb 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2i9h h ALA 98 CO 0.07 0.11 -0.61 -0.89 0.00 0.00 0.00 179.25 177.92 2i9h n ILE 99 N -4.48 0.11 -0.05 0.00 -0.00 -1.05 -3.58 119.36 110.31 2i9h n ILE 99 Ca 0.06 -0.10 -0.03 0.00 -0.00 0.00 0.00 62.75 62.68 2i9h n ILE 99 Cb 0.18 0.17 -0.01 0.00 -0.00 0.00 0.00 39.64 39.98 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 -1.62 0.32 0.13 -1.39 0.00 -0.10 -2.37 120.51 115.48 2i9h n ALA 100 Ca 0.04 -0.33 0.18 0.00 0.00 0.00 0.00 53.44 53.33 2i9h n ALA 100 Cb 0.37 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.59 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 -1.29 2.09 0.00 0.00 0.00 -1.10 -2.44 119.26 116.52 2i9h h ALA 101 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2i9h h ALA 101 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2i9h h ALA 101 CO 0.00 -0.44 -0.42 -0.91 0.00 0.00 0.00 179.25 177.48 2i9h h ASN 102 N 0.00 0.00 -0.03 0.00 -0.26 -1.73 -3.52 115.58 110.04 2i9h h ASN 102 Ca 0.15 -0.67 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 2i9h h ASN 102 Cb 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 2i9h h ASN 102 CO -0.00 1.07 0.00 0.00 -1.06 0.00 0.00 177.43 177.44