#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 -4.07 -3.75 3.17 0.31 -1.26 -4.94 118.33 107.79 2i9h n VAL 2 Ca 0.00 1.71 -0.12 0.00 -0.01 0.00 0.00 64.34 65.92 2i9h n VAL 2 Cb 0.00 -2.36 -0.07 0.00 -0.91 0.00 0.00 33.84 30.50 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 -2.95 0.08 0.75 2.52 2.01 -1.17 -5.03 115.64 111.84 2i9h s THR 3 Ca 0.00 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 2i9h s THR 3 Cb 0.00 -0.87 0.16 0.00 0.01 0.00 0.00 72.50 71.79 2i9h s THR 3 CO 0.00 -0.34 1.02 0.00 -0.69 0.00 0.00 174.62 174.61 2i9h n GLN 4 N 0.71 -0.35 -4.59 4.92 6.02 -1.26 0.38 117.38 123.21 2i9h n GLN 4 Ca -0.19 -2.42 -0.21 0.00 -0.01 0.00 0.00 57.00 54.16 2i9h n GLN 4 Cb 0.59 -0.79 -0.15 0.00 1.02 0.00 0.00 30.24 30.91 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 -3.12 1.16 -0.04 1.08 0.08 -0.45 -4.62 117.98 112.08 2i9h s PHE 5 Ca 0.65 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.42 2i9h s PHE 5 Cb -0.03 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.64 2i9h s PHE 5 CO 0.44 -0.02 -0.13 1.63 -0.10 0.00 0.00 175.22 177.04 2i9h n LYS 6 N 2.76 0.20 -3.51 0.44 4.76 -1.26 -2.55 118.16 118.99 2i9h n LYS 6 Ca -0.14 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 2i9h n LYS 6 Cb 0.56 -0.85 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 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 -2.27 2.82 0.01 -0.18 -4.23 -1.26 -3.73 115.64 106.79 2i9h s THR 7 Ca -0.12 -1.29 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 2i9h s THR 7 Cb 0.03 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 2i9h s THR 7 CO 0.17 -0.02 1.36 0.00 -0.54 0.00 0.00 174.62 175.58 2i9h h ALA 8 N 1.00 0.50 0.00 3.99 0.00 -1.97 -3.15 119.26 119.63 2i9h h ALA 8 Ca -0.42 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2i9h h ALA 8 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2i9h h ALA 8 CO 0.56 0.97 0.00 0.77 0.00 0.00 0.00 179.25 181.55 2i9h h SER 9 N 0.00 0.00 0.00 0.00 0.02 -1.99 0.13 113.55 111.71 2i9h h SER 9 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2i9h h SER 9 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2i9h h SER 9 CO 0.10 0.00 -0.38 -0.62 -1.14 0.00 0.00 176.83 174.79 2i9h n GLU 10 N -2.47 0.34 0.30 3.45 -0.58 -1.19 -4.30 120.64 116.18 2i9h n GLU 10 Ca -0.02 0.45 0.17 0.00 -0.42 0.00 0.00 57.16 57.34 2i9h n GLU 10 Cb 0.06 -1.44 0.98 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.74 0.00 0.18 -0.32 3.57 -1.59 -2.84 116.94 115.21 2i9h h PHE 11 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2i9h h PHE 11 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2i9h h PHE 11 CO -0.16 0.00 -0.32 0.22 -2.23 0.00 0.00 178.31 175.81 2i9h h ASP 12 N 0.00 -0.91 1.00 0.41 3.58 -0.92 -2.20 116.42 117.38 2i9h h ASP 12 Ca 0.00 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 2i9h h ASP 12 Cb 0.02 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2i9h h ASP 12 CO -0.00 -0.42 -0.20 0.28 -2.88 0.00 0.00 179.24 176.01 2i9h h SER 13 N -0.58 0.00 -0.94 2.28 0.02 -1.69 -3.02 113.55 109.61 2i9h h SER 13 Ca 0.02 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 2i9h h SER 13 Cb 0.59 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 2i9h h SER 13 CO -0.15 0.20 0.60 0.00 -1.14 0.00 0.00 176.83 176.35 2i9h h ALA 14 N 1.80 1.64 0.02 3.77 0.00 -1.25 -3.06 119.26 122.18 2i9h h ALA 14 Ca -0.00 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2i9h h ALA 14 Cb 0.76 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2i9h h ALA 14 CO 0.03 0.14 -1.14 -0.84 0.00 0.00 0.00 179.25 177.44 2i9h h ILE 15 N 0.89 1.04 -0.29 0.00 3.07 -1.49 -3.42 117.51 117.30 2i9h h ILE 15 Ca 0.46 -2.24 -0.56 0.00 1.55 0.00 0.00 64.86 64.07 2i9h h ILE 15 Cb 0.52 2.46 -0.06 0.00 -0.27 0.00 0.00 36.82 39.47 2i9h h ILE 15 CO -0.22 0.43 1.63 0.00 -1.05 0.00 0.00 178.15 178.94 2i9h n ALA 16 N -3.23 0.40 -3.16 0.16 0.00 -1.15 0.28 120.51 113.83 2i9h n ALA 16 Ca -0.28 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 2i9h n ALA 16 Cb 0.70 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.78 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 8.34 -1.25 -2.09 0.00 6.02 -1.25 -4.64 117.38 122.51 2i9h n GLN 17 Ca 0.58 1.31 -0.01 0.00 -0.01 0.00 0.00 57.00 58.87 2i9h n GLN 17 Cb 0.10 -2.18 0.07 0.00 1.02 0.00 0.00 30.24 29.24 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 0.82 -0.84 0.00 1.08 -0.08 -1.17 -4.90 116.55 111.46 2i9h n ASP 18 Ca -0.01 -1.67 0.00 0.00 -1.51 0.00 0.00 54.79 51.60 2i9h n ASP 18 Cb 0.45 0.39 0.00 0.00 2.34 0.00 0.00 41.12 44.30 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 -0.85 0.00 -3.44 -0.67 4.01 -1.26 -4.51 118.16 111.44 2i9h n LYS 19 Ca -0.11 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.29 2i9h n LYS 19 Cb 0.71 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.13 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 4.47 -0.16 -0.35 2.96 -1.26 -3.14 118.68 121.20 2i9h s LEU 20 Ca 0.00 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2i9h s LEU 20 Cb 0.00 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2i9h s LEU 20 CO 0.00 -0.31 0.00 -0.69 -1.32 0.00 0.00 176.35 174.03 2i9h s VAL 21 N 1.94 4.26 -0.60 1.68 1.01 -1.11 -2.62 120.40 124.95 2i9h s VAL 21 Ca 0.10 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2i9h s VAL 21 Cb -0.17 -2.88 0.15 0.00 0.00 0.00 0.00 36.38 33.48 2i9h s VAL 21 CO 0.11 0.49 0.56 -0.69 0.00 0.00 0.00 175.10 175.58 2i9h s VAL 22 N 0.26 5.28 -0.22 2.92 1.01 -0.09 -3.17 120.40 126.39 2i9h s VAL 22 Ca -0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 61.98 60.20 2i9h s VAL 22 Cb -0.13 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2i9h s VAL 22 CO 0.02 -0.91 0.13 -0.69 0.00 0.00 0.00 175.10 173.64 2i9h s VAL 23 N 1.35 5.14 -0.19 2.92 1.01 -0.79 -2.72 120.40 127.12 2i9h s VAL 23 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 2i9h s VAL 23 Cb -0.26 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2i9h s VAL 23 CO 0.01 0.38 0.13 -0.62 0.00 0.00 0.00 175.10 175.00 2i9h s ASP 24 N 0.90 6.24 -0.82 3.32 2.15 -1.15 -1.41 116.67 125.90 2i9h s ASP 24 Ca 0.06 0.27 -0.02 0.00 0.43 0.00 0.00 52.55 53.29 2i9h s ASP 24 Cb -0.13 -2.09 0.33 0.00 -0.30 0.00 0.00 42.92 40.73 2i9h s ASP 24 CO 0.03 0.22 2.08 0.49 -0.17 0.00 0.00 175.17 177.82 2i9h n PHE 25 N 3.26 2.87 -1.65 -5.34 3.01 -0.74 0.15 117.46 119.02 2i9h n PHE 25 Ca -0.17 -2.30 -0.47 0.00 1.01 0.00 0.00 57.45 55.52 2i9h n PHE 25 Cb 0.52 -1.21 -0.05 0.00 -0.01 0.00 0.00 39.48 38.74 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 -0.41 2.12 -1.28 1.38 0.18 -1.25 -4.39 117.16 113.51 2i9h n TYR 26 Ca 0.53 0.34 -0.36 0.00 1.88 0.00 0.00 57.90 60.29 2i9h n TYR 26 Cb 0.26 -2.50 0.06 0.00 -0.38 0.00 0.00 39.34 36.78 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 3.35 -1.60 -0.24 -3.48 0.00 -1.26 -3.52 120.51 113.76 2i9h n ALA 27 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2i9h n ALA 27 Cb 0.27 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.29 1.86 0.00 0.00 5.66 -1.26 -4.28 114.28 113.97 2i9h n THR 28 Ca 0.10 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 2i9h n THR 28 Cb 0.50 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.25 -0.10 0.00 1.09 4.27 -1.26 -4.94 117.44 116.75 2i9h n TRP 29 Ca 0.21 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.82 2i9h n TRP 29 Cb 0.92 0.11 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 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 -0.84 2.02 0.54 0.00 0.00 -1.26 -4.88 105.19 100.76 2i9h n GLY 31 Ca 0.00 -0.55 0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 1.61 0.11 -1.99 0.73 132.00 132.46 2i9h h PRO 32 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2i9h h PRO 32 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2i9h h PRO 32 CO 0.00 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2i9h h LYS 34 N 0.00 0.57 0.00 0.00 3.64 0.13 -2.99 116.57 117.92 2i9h h LYS 34 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2i9h h LYS 34 Cb 0.01 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2i9h h LYS 34 CO 0.00 1.12 0.00 -0.12 -2.27 0.00 0.00 179.45 178.18 2i9h n MET 35 N -3.86 0.61 0.11 1.90 1.56 -0.68 -2.65 117.12 114.11 2i9h n MET 35 Ca -0.06 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.38 2i9h n MET 35 Cb 0.76 -1.46 -0.01 0.00 2.15 0.00 0.00 33.22 34.66 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 0.76 -0.68 1.12 2.04 -1.58 -3.36 117.51 115.80 2i9h h ILE 36 Ca 0.00 -2.15 0.14 0.00 1.00 0.00 0.00 64.86 63.84 2i9h h ILE 36 Cb 0.00 2.30 -0.10 0.00 -0.74 0.00 0.00 36.82 38.28 2i9h h ILE 36 CO 0.00 0.43 0.19 0.00 0.00 0.00 0.00 178.15 178.77 2i9h h ALA 37 N 1.48 0.88 -0.28 1.87 0.00 -1.68 0.42 119.26 121.94 2i9h h ALA 37 Ca -0.05 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2i9h h ALA 37 Cb 1.44 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2i9h h ALA 37 CO 0.06 -0.29 -0.43 -1.00 0.00 0.00 0.00 179.25 177.59 2i9h h PRO 38 N 0.31 0.70 0.10 0.00 0.13 -1.82 -2.80 132.00 128.61 2i9h h PRO 38 Ca 0.37 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2i9h h PRO 38 Cb 0.59 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2i9h h PRO 38 CO -0.44 0.99 -0.05 1.98 -0.23 0.00 0.00 178.00 180.25 2i9h h MET 39 N 0.57 -0.13 -0.61 0.86 1.85 -1.41 -2.11 114.93 113.95 2i9h h MET 39 Ca 0.04 0.01 0.18 0.00 -0.61 0.00 0.00 59.70 59.32 2i9h h MET 39 Cb 0.97 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.00 2i9h h MET 39 CO 0.09 0.11 0.55 0.82 -0.40 0.00 0.00 176.91 178.08 2i9h h ILE 40 N -0.36 0.43 0.00 1.77 2.04 -0.20 0.86 117.51 122.05 2i9h h ILE 40 Ca -0.01 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 2i9h h ILE 40 Cb 0.30 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2i9h h ILE 40 CO 0.02 0.00 -0.82 -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 -1.12 -3.10 114.58 117.53 2i9h h GLU 41 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2i9h h GLU 41 Cb 1.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2i9h h GLU 41 CO -0.00 0.82 0.00 0.87 -0.73 0.00 0.00 179.01 179.97 2i9h h LYS 42 N 0.00 0.00 0.00 1.92 1.57 0.13 -2.09 116.57 118.11 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 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 2i9h h LYS 42 CO 0.11 0.00 -0.92 0.74 -0.57 0.00 0.00 179.45 178.81 2i9h h PHE 43 N 0.00 0.00 0.00 -1.35 -1.00 -1.45 -3.32 116.94 109.82 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 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 2i9h h PHE 43 CO 0.00 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.15 2i9h n SER 44 N -2.50 0.32 0.09 2.17 2.88 -0.78 -1.86 113.62 113.94 2i9h n SER 44 Ca 0.01 0.59 0.03 0.00 -1.33 0.00 0.00 58.87 58.17 2i9h n SER 44 Cb 0.52 -0.66 -0.02 0.00 -0.75 0.00 0.00 64.21 63.30 2i9h n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2i9h h GLU 45 N 0.00 0.00 0.06 -1.46 4.57 -1.70 -2.43 114.58 113.62 2i9h h GLU 45 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2i9h h GLU 45 Cb 0.23 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2i9h h GLU 45 CO 0.00 0.31 -1.86 1.04 -1.18 0.00 0.00 179.01 177.33 2i9h n GLN 46 N -3.00 0.70 -2.27 1.92 6.02 -0.78 -4.42 117.38 115.56 2i9h n GLN 46 Ca -0.03 0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 57.01 2i9h n GLN 46 Cb 0.74 -1.75 0.02 0.00 1.02 0.00 0.00 30.24 30.27 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 -3.27 2.80 -0.58 1.08 4.01 -0.94 -4.89 117.16 115.38 2i9h n TYR 47 Ca -0.24 -2.55 0.45 0.00 -0.16 0.00 0.00 57.90 55.40 2i9h n TYR 47 Cb 1.05 -0.24 0.72 0.00 -0.31 0.00 0.00 39.34 40.55 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 -0.59 -0.01 -0.27 -0.72 -0.02 -0.92 0.14 135.00 132.61 2i9h n PRO 48 Ca 0.38 1.08 0.01 0.00 -2.02 0.00 0.00 63.50 62.95 2i9h n PRO 48 Cb 0.84 -2.34 0.21 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.07 -6.37 -0.52 4.20 -1.90 -3.42 115.11 108.17 2i9h h GLN 49 Ca 0.86 -0.06 -0.55 0.00 0.06 0.00 0.00 58.65 58.96 2i9h h GLN 49 Cb 3.20 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 30.70 2i9h h GLN 49 CO -0.18 0.71 -0.06 0.00 -0.67 0.00 0.00 178.83 178.62 2i9h s ALA 50 N -5.92 3.55 0.22 3.87 0.00 0.37 -4.76 121.76 119.10 2i9h s ALA 50 Ca -0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 2i9h s ALA 50 Cb 0.18 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 2i9h s ALA 50 CO 0.79 0.45 0.58 -0.51 0.00 0.00 0.00 175.76 177.07 2i9h s ASP 51 N -1.82 6.69 -0.42 0.00 1.11 -1.08 -4.93 116.67 116.23 2i9h s ASP 51 Ca 0.40 1.01 0.03 0.00 0.18 0.00 0.00 52.55 54.17 2i9h s ASP 51 Cb -0.14 -2.26 0.12 0.00 1.07 0.00 0.00 42.92 41.70 2i9h s ASP 51 CO 0.19 -0.05 0.17 -0.36 1.18 0.00 0.00 175.17 176.30 2i9h s PHE 52 N -1.76 2.95 0.47 4.23 0.40 -1.26 -0.91 117.98 122.10 2i9h s PHE 52 Ca 0.46 -2.79 0.07 0.00 -0.60 0.00 0.00 56.93 54.07 2i9h s PHE 52 Cb -0.12 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.88 2i9h s PHE 52 CO 0.20 -0.84 0.38 0.71 0.70 0.00 0.00 175.22 176.37 2i9h s TYR 53 N 0.47 2.21 0.26 0.36 2.02 -1.10 -3.03 117.35 118.53 2i9h s TYR 53 Ca 0.14 -0.66 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 2i9h s TYR 53 Cb -0.22 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 2i9h s TYR 53 CO -0.06 -0.26 -0.12 0.15 -1.57 0.00 0.00 175.55 173.69 2i9h s LYS 54 N -4.18 1.51 -0.24 -0.62 -0.14 0.16 -2.93 119.74 113.31 2i9h s LYS 54 Ca 0.42 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.31 2i9h s LYS 54 Cb -0.02 -1.29 0.07 0.00 -1.68 0.00 0.00 37.83 34.91 2i9h s LYS 54 CO 0.25 0.15 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.79 2i9h s LEU 55 N -3.42 2.45 -0.22 3.17 1.98 0.40 -1.34 118.68 121.70 2i9h s LEU 55 Ca 0.27 -1.21 -0.29 0.00 -2.89 0.00 0.00 54.13 50.02 2i9h s LEU 55 Cb 0.01 -1.09 -0.04 0.00 0.66 0.00 0.00 46.19 45.72 2i9h s LEU 55 CO 0.11 -0.27 1.96 -0.62 -1.89 0.00 0.00 176.35 175.65 2i9h s ASP 56 N 1.46 5.86 0.06 3.68 -1.08 -1.06 -3.76 116.67 121.84 2i9h s ASP 56 Ca -0.03 1.78 0.16 0.00 -0.52 0.00 0.00 52.55 53.94 2i9h s ASP 56 Cb -0.18 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.43 2i9h s ASP 56 CO -0.08 -1.65 1.50 0.52 0.52 0.00 0.00 175.17 175.98 2i9h n VAL 57 N 7.15 1.02 -0.09 1.11 0.31 -1.23 -1.57 118.33 125.02 2i9h n VAL 57 Ca 0.25 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.75 2i9h n VAL 57 Cb 0.45 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 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 -1.68 1.94 -0.21 4.52 -0.08 -1.26 -3.20 116.55 116.57 2i9h n ASP 58 Ca 0.03 0.34 0.01 0.00 -1.51 0.00 0.00 54.79 53.66 2i9h n ASP 58 Cb 0.17 -0.74 0.12 0.00 2.34 0.00 0.00 41.12 43.01 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 -1.00 0.41 0.00 -0.67 4.22 -1.86 -3.27 114.58 112.41 2i9h h GLU 59 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2i9h h GLU 59 Cb 0.99 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2i9h h GLU 59 CO -0.00 0.27 -0.02 -0.07 -2.18 0.00 0.00 179.01 177.01 2i9h h LEU 60 N 0.42 0.00 0.00 1.64 -0.00 -1.37 -3.47 115.31 112.53 2i9h h LEU 60 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 2i9h h LEU 60 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2i9h h LEU 60 CO -0.32 0.12 0.00 0.61 -0.00 0.00 0.00 178.44 178.85 2i9h n GLY 61 N 1.91 0.72 0.33 0.83 0.00 -1.19 -4.19 105.19 103.59 2i9h n GLY 61 Ca -0.00 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 0.10 1.61 3.32 -1.90 -1.61 116.42 117.95 2i9h h ASP 62 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i9h h ASP 62 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2i9h h ASP 62 CO 0.00 0.00 -0.05 0.58 -1.72 0.00 0.00 179.24 178.05 2i9h h VAL 63 N 0.00 1.10 -0.19 -1.35 2.07 -1.95 0.82 116.25 116.75 2i9h h VAL 63 Ca 0.13 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.42 2i9h h VAL 63 Cb 0.56 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2i9h h VAL 63 CO -0.00 0.29 0.25 0.00 0.02 0.00 0.00 177.57 178.12 2i9h h ALA 64 N -0.06 1.76 0.11 1.67 0.00 -1.72 -0.78 119.26 120.23 2i9h h ALA 64 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 2i9h h ALA 64 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2i9h h ALA 64 CO 0.02 -0.34 -1.97 0.94 0.00 0.00 0.00 179.25 177.90 2i9h n GLN 65 N -3.64 0.75 -0.03 0.00 7.27 -0.65 0.13 117.38 121.20 2i9h n GLN 65 Ca 0.02 0.26 -0.10 0.00 0.07 0.00 0.00 57.00 57.25 2i9h n GLN 65 Cb 0.37 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.26 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 0.21 0.00 3.69 2.10 0.20 -0.79 116.57 122.05 2i9h h LYS 66 Ca -0.41 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2i9h h LYS 66 Cb 2.03 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.32 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 -4.98 0.00 -2.63 7.07 3.02 -0.52 -4.90 115.26 112.32 2i9h n ASN 67 Ca -0.04 -0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.18 2i9h n ASN 67 Cb 0.04 -0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.26 -5.32 -3.75 3.52 1.02 -0.30 -4.99 120.64 109.57 2i9h n GLU 68 Ca 0.13 0.57 -0.34 0.00 -0.02 0.00 0.00 57.16 57.50 2i9h n GLU 68 Cb 0.20 -4.82 -0.10 0.00 -0.02 0.00 0.00 31.44 26.71 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 -3.22 3.65 -0.18 2.62 1.01 0.34 -4.85 120.40 119.77 2i9h s VAL 69 Ca 0.33 -3.44 0.21 0.00 0.00 0.00 0.00 61.98 59.08 2i9h s VAL 69 Cb -0.15 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 2i9h s VAL 69 CO 0.50 -0.95 0.89 -1.54 0.00 0.00 0.00 175.10 174.01 2i9h n SER 70 N 2.90 0.74 -3.12 3.32 3.41 -1.25 -4.61 113.62 115.00 2i9h n SER 70 Ca 0.13 0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.95 2i9h n SER 70 Cb 0.36 0.56 0.08 0.00 -0.26 0.00 0.00 64.21 64.96 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 -2.26 -1.51 -3.32 7.33 0.00 -1.26 -4.89 120.51 114.60 2i9h n ALA 71 Ca -0.04 -0.44 0.02 0.00 0.00 0.00 0.00 53.44 52.98 2i9h n ALA 71 Cb 0.65 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.08 0.21 0.85 0.00 0.23 -1.26 -4.35 119.30 111.90 2i9h s MET 72 Ca 0.19 0.52 -0.11 0.00 -1.03 0.00 0.00 55.69 55.26 2i9h s MET 72 Cb -0.03 0.31 0.19 0.00 -1.53 0.00 0.00 34.83 33.77 2i9h s MET 72 CO 0.16 -0.08 1.16 -0.35 -2.03 0.00 0.00 175.02 173.88 2i9h n PRO 73 N 4.88 -0.87 -3.80 3.16 -0.04 -1.26 -4.86 135.00 132.21 2i9h n PRO 73 Ca -0.08 -2.14 -0.13 0.00 -0.04 0.00 0.00 63.50 61.11 2i9h n PRO 73 Cb 0.53 -1.09 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 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 -3.49 0.03 -0.19 0.52 2.01 -1.26 -4.17 115.64 109.08 2i9h s THR 74 Ca 0.69 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 2i9h s THR 74 Cb -0.02 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2i9h s THR 74 CO 0.47 -0.12 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.50 2i9h s LEU 75 N -0.41 3.13 -0.12 4.42 1.43 -1.17 -1.79 118.68 124.16 2i9h s LEU 75 Ca -0.05 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2i9h s LEU 75 Cb -0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2i9h s LEU 75 CO 0.01 0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.68 2i9h s LEU 76 N 0.99 2.16 -0.12 1.79 1.43 -0.50 -2.63 118.68 121.80 2i9h s LEU 76 Ca 0.01 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 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 0.01 0.12 -0.05 -0.76 0.23 0.00 0.00 176.35 175.90 2i9h s LEU 77 N 0.57 3.21 -0.05 1.79 1.02 -1.12 -1.88 118.68 122.22 2i9h s LEU 77 Ca -0.13 -0.09 0.01 0.00 0.02 0.00 0.00 54.13 53.95 2i9h s LEU 77 Cb -0.17 -1.74 0.02 0.00 0.02 0.00 0.00 46.19 44.32 2i9h s LEU 77 CO 0.04 0.25 -0.05 -0.36 0.02 0.00 0.00 176.35 176.25 2i9h s PHE 78 N -0.13 0.82 -0.17 0.29 0.08 -1.19 -1.27 117.98 116.41 2i9h s PHE 78 Ca 0.02 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2i9h s PHE 78 Cb -0.13 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 2i9h s PHE 78 CO 0.03 -0.23 -0.04 0.15 -0.10 0.00 0.00 175.22 175.03 2i9h s LYS 79 N 1.07 3.60 -1.28 0.44 -0.14 -1.20 -2.77 119.74 119.46 2i9h s LYS 79 Ca -0.09 -0.55 -0.18 0.00 -1.36 0.00 0.00 55.97 53.79 2i9h s LYS 79 Cb -0.14 -2.93 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 2i9h s LYS 79 CO -0.01 0.14 0.57 0.09 -0.76 0.00 0.00 175.35 175.39 2i9h n ASN 80 N 3.82 -3.01 -0.61 2.83 4.13 -1.19 0.46 115.26 121.69 2i9h n ASN 80 Ca -0.17 -1.14 -0.08 0.00 1.68 0.00 0.00 54.58 54.87 2i9h n ASN 80 Cb 0.52 -2.54 -0.03 0.00 -1.54 0.00 0.00 39.78 36.18 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 0.80 0.00 7.41 0.00 0.79 -3.84 105.19 108.35 2i9h n GLY 81 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.61 3.83 -3.73 1.61 4.76 0.17 -4.65 118.16 119.54 2i9h n LYS 82 Ca -0.08 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.14 2i9h n LYS 82 Cb 0.53 0.00 -0.04 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 2.41 2.42 0.11 1.97 2.12 -1.26 -3.25 118.70 123.22 2i9h s GLU 83 Ca 0.00 -1.68 0.00 0.00 0.36 0.00 0.00 54.97 53.65 2i9h s GLU 83 Cb 0.00 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.14 2i9h s GLU 83 CO 0.00 -0.25 0.00 0.28 -0.54 0.00 0.00 175.26 174.75 2i9h n VAL 84 N -1.52 0.00 -3.57 3.70 0.31 -0.39 -3.49 118.33 113.37 2i9h n VAL 84 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 2i9h n VAL 84 Cb 0.63 -0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.41 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 -1.86 -1.91 -0.12 3.52 0.00 -1.22 -5.02 121.76 115.14 2i9h s ALA 85 Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2i9h s ALA 85 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 2i9h s ALA 85 CO 0.00 -0.72 -0.18 0.15 0.00 0.00 0.00 175.76 175.01 2i9h s LYS 86 N -2.87 3.23 -0.47 0.00 1.02 -1.26 -2.79 119.74 116.59 2i9h s LYS 86 Ca 0.08 -0.77 0.06 0.00 0.02 0.00 0.00 55.97 55.36 2i9h s LYS 86 Cb -0.01 -2.51 0.18 0.00 -0.52 0.00 0.00 37.83 34.98 2i9h s LYS 86 CO -0.06 0.17 0.60 0.08 -0.92 0.00 0.00 175.35 175.22 2i9h s VAL 87 N 0.43 -0.64 -0.95 3.17 1.01 -1.08 -5.07 120.40 117.27 2i9h s VAL 87 Ca -0.13 -1.29 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 2i9h s VAL 87 Cb -0.17 -0.34 -0.16 0.00 0.00 0.00 0.00 36.38 35.71 2i9h s VAL 87 CO 0.06 -0.33 2.22 0.54 0.00 0.00 0.00 175.10 177.59 2i9h s VAL 88 N 0.81 3.09 0.00 2.92 0.11 -1.26 -3.06 120.40 123.01 2i9h s VAL 88 Ca 0.28 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2i9h s VAL 88 Cb -0.01 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 2i9h s VAL 88 CO -0.08 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 2i9h n GLY 89 N 6.48 1.30 2.30 6.54 0.00 -1.26 -4.84 105.19 115.71 2i9h n GLY 89 Ca 0.44 0.47 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 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 6.21 -2.50 4.61 0.00 -1.26 -4.32 120.51 123.25 2i9h n ALA 90 Ca 0.00 -3.43 -0.42 0.00 0.00 0.00 0.00 53.44 49.60 2i9h n ALA 90 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.84 7.41 -0.80 0.00 2.47 -1.26 -4.78 114.94 116.13 2i9h s ASN 91 Ca 0.64 1.74 -0.11 0.00 0.42 0.00 0.00 52.86 55.55 2i9h s ASN 91 Cb 0.50 -2.58 -0.24 0.00 -1.45 0.00 0.00 41.25 37.48 2i9h s ASN 91 CO 0.00 -0.19 2.00 -2.65 -3.72 0.00 0.00 177.10 172.54 2i9h n PRO 92 N 3.41 0.10 0.00 0.43 -0.02 -1.26 -2.43 135.00 135.23 2i9h n PRO 92 Ca 0.05 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2i9h n PRO 92 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 8.30 0.00 -0.04 3.55 0.00 -1.26 -5.00 120.51 126.06 2i9h n ALA 93 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 2i9h n ALA 93 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 2.20 0.21 0.00 0.00 -1.02 -4.26 120.51 117.63 2i9h n ALA 94 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.17 2i9h n ALA 94 Cb 0.00 0.36 0.48 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.20 0.00 0.00 0.00 6.09 -1.75 0.56 117.51 122.21 2i9h h ILE 95 Ca -0.21 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2i9h h ILE 95 Cb 1.23 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2i9h h ILE 95 CO -0.10 0.00 -0.37 0.29 -3.07 0.00 0.00 178.15 174.90 2i9h n LYS 96 N -2.27 0.32 0.01 2.19 5.02 -1.26 -3.97 118.16 118.19 2i9h n LYS 96 Ca -0.01 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.77 2i9h n LYS 96 Cb 0.32 -1.39 0.48 0.00 -0.02 0.00 0.00 35.03 34.42 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2i9h h GLN 97 N -0.69 0.42 -0.01 1.97 4.20 -1.62 -0.49 115.11 118.89 2i9h h GLN 97 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2i9h h GLN 97 Cb 0.37 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2i9h h GLN 97 CO 0.00 0.28 -0.02 0.00 -0.67 0.00 0.00 178.83 178.42 2i9h h ALA 98 N 1.76 1.94 -0.00 3.87 0.00 -0.09 -0.19 119.26 126.54 2i9h h ALA 98 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2i9h h ALA 98 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2i9h h ALA 98 CO -0.04 0.04 -0.39 -0.89 0.00 0.00 0.00 179.25 177.98 2i9h n ILE 99 N -4.50 0.00 0.00 0.00 5.41 -0.22 -3.63 119.36 116.41 2i9h n ILE 99 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2i9h n ILE 99 Cb 0.12 0.30 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 2i9h n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i9h n ALA 100 N -1.13 0.00 -0.13 -1.39 0.00 -0.13 -2.65 120.51 115.08 2i9h n ALA 100 Ca 0.08 -0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.67 2i9h n ALA 100 Cb 0.34 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.00 2.64 0.00 0.00 0.00 -1.65 -2.25 119.26 115.99 2i9h h ALA 101 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2i9h h ALA 101 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2i9h h ALA 101 CO 0.00 -0.86 -0.08 -0.91 0.00 0.00 0.00 179.25 177.39 2i9h h ASN 102 N 0.06 0.00 0.00 0.00 -0.26 -1.77 -3.52 115.58 110.10 2i9h h ASN 102 Ca 0.37 -0.62 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2i9h h ASN 102 Cb 1.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 2i9h h ASN 102 CO -0.03 0.86 0.00 0.00 -1.06 0.00 0.00 177.43 177.20