#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9h s VAL 2 N 0.00 0.00 0.06 3.17 0.11 -1.26 -4.49 120.40 118.00 2i9h s VAL 2 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2i9h s VAL 2 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2i9h s VAL 2 CO 0.00 0.00 0.31 -0.89 -3.33 0.00 0.00 175.10 171.19 2i9h s THR 3 N 1.14 0.09 0.21 5.04 2.01 -1.16 -5.03 115.64 117.94 2i9h s THR 3 Ca -0.07 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2i9h s THR 3 Cb -0.04 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.46 2i9h s THR 3 CO -0.14 -0.40 0.29 0.00 -0.69 0.00 0.00 174.62 173.68 2i9h n GLN 4 N 0.34 0.83 -3.61 4.92 -0.00 -1.26 0.13 117.38 118.73 2i9h n GLN 4 Ca -0.18 -1.10 -0.29 0.00 -0.00 0.00 0.00 57.00 55.43 2i9h n GLN 4 Cb 0.61 -0.09 -0.15 0.00 -0.00 0.00 0.00 30.24 30.60 2i9h n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2i9h s PHE 5 N -0.32 0.73 -0.36 2.61 0.08 0.42 -4.60 117.98 116.54 2i9h s PHE 5 Ca 0.22 -1.07 0.22 0.00 0.12 0.00 0.00 56.93 56.42 2i9h s PHE 5 Cb -0.02 -1.11 0.21 0.00 -0.57 0.00 0.00 43.02 41.53 2i9h s PHE 5 CO 0.14 -0.81 1.42 0.87 -0.10 0.00 0.00 175.22 176.74 2i9h h LYS 6 N 8.31 0.00 -3.99 0.44 1.79 -1.92 -2.62 116.57 118.59 2i9h h LYS 6 Ca -0.18 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.83 2i9h h LYS 6 Cb 1.03 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.31 2i9h h LYS 6 CO 0.43 0.03 -0.78 0.95 -1.08 0.00 0.00 179.45 179.00 2i9h s THR 7 N -3.24 0.66 0.58 -0.16 -4.23 -1.26 -4.51 115.64 103.48 2i9h s THR 7 Ca 0.04 -0.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.74 2i9h s THR 7 Cb 0.07 -0.72 0.38 0.00 1.34 0.00 0.00 72.50 73.56 2i9h s THR 7 CO 0.71 0.29 1.98 0.00 -0.54 0.00 0.00 174.62 177.06 2i9h h ALA 8 N 7.93 2.11 -0.16 3.99 0.00 -1.95 0.22 119.26 131.41 2i9h h ALA 8 Ca -0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2i9h h ALA 8 Cb 1.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2i9h h ALA 8 CO 0.37 -0.57 0.27 1.03 0.00 0.00 0.00 179.25 180.34 2i9h h SER 9 N 0.00 0.00 0.29 0.00 0.87 -1.99 0.11 113.55 112.83 2i9h h SER 9 Ca 0.18 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.41 2i9h h SER 9 Cb 0.93 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2i9h h SER 9 CO -0.00 0.00 -1.89 1.21 -0.53 0.00 0.00 176.83 175.62 2i9h n GLU 10 N -3.44 0.70 0.19 2.24 4.07 0.78 -4.09 120.64 121.10 2i9h n GLU 10 Ca 0.01 0.27 0.07 0.00 -0.06 0.00 0.00 57.16 57.46 2i9h n GLU 10 Cb 0.38 -1.74 0.30 0.00 -0.06 0.00 0.00 31.44 30.31 2i9h n GLU 10 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2i9h h PHE 11 N 0.04 0.00 0.12 4.31 3.57 -1.09 -3.20 116.94 120.69 2i9h h PHE 11 Ca -0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 2i9h h PHE 11 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 2i9h h PHE 11 CO 0.04 0.30 -0.07 0.22 -2.23 0.00 0.00 178.31 176.58 2i9h h ASP 12 N 0.00 -0.16 -0.12 0.41 1.82 -1.01 -2.81 116.42 114.55 2i9h h ASP 12 Ca -0.00 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2i9h h ASP 12 Cb 0.97 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.02 2i9h h ASP 12 CO 0.04 -0.10 0.19 -1.28 -1.61 0.00 0.00 179.24 176.47 2i9h h SER 13 N -0.17 0.00 0.15 2.28 0.87 -1.75 -2.96 113.55 111.97 2i9h h SER 13 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2i9h h SER 13 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2i9h h SER 13 CO 0.02 0.00 -0.30 0.00 -0.53 0.00 0.00 176.83 176.02 2i9h h ALA 14 N 1.73 -0.87 -0.26 6.23 0.00 -1.48 -3.04 119.26 121.57 2i9h h ALA 14 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i9h h ALA 14 Cb 0.43 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2i9h h ALA 14 CO -0.00 -0.92 0.15 -0.84 0.00 0.00 0.00 179.25 177.64 2i9h h ILE 15 N -0.48 1.10 -0.02 0.00 3.07 -1.50 -3.39 117.51 116.29 2i9h h ILE 15 Ca -0.02 -0.25 -0.46 0.00 1.55 0.00 0.00 64.86 65.68 2i9h h ILE 15 Cb 0.46 0.80 -0.10 0.00 -0.27 0.00 0.00 36.82 37.71 2i9h h ILE 15 CO -0.12 0.10 1.82 0.00 -1.05 0.00 0.00 178.15 178.90 2i9h n ALA 16 N -2.19 0.50 -3.16 0.16 0.00 -1.15 0.22 120.51 114.89 2i9h n ALA 16 Ca -0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 2i9h n ALA 16 Cb 0.06 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.20 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 7.79 -0.94 -2.04 0.00 6.02 -1.26 -4.63 117.38 122.32 2i9h n GLN 17 Ca 0.66 1.15 -0.02 0.00 -0.01 0.00 0.00 57.00 58.78 2i9h n GLN 17 Cb 0.06 -1.80 0.06 0.00 1.02 0.00 0.00 30.24 29.59 2i9h n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2i9h n ASP 18 N 1.00 -0.90 0.00 1.08 2.03 -1.16 -4.89 116.55 113.70 2i9h n ASP 18 Ca -0.01 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.59 2i9h n ASP 18 Cb 0.45 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 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 -0.85 0.00 -3.38 -0.67 5.02 -1.26 -4.60 118.16 112.42 2i9h n LYS 19 Ca -0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 2i9h n LYS 19 Cb 0.71 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.63 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 4.75 -0.23 -0.35 2.96 -1.26 -3.43 118.68 121.12 2i9h s LEU 20 Ca 0.00 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2i9h s LEU 20 Cb 0.00 -2.32 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 2i9h s LEU 20 CO 0.00 -0.46 0.13 -0.69 -1.32 0.00 0.00 176.35 174.01 2i9h s VAL 21 N 2.00 5.12 -0.54 1.68 1.01 -0.94 -0.79 120.40 127.94 2i9h s VAL 21 Ca 0.10 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2i9h s VAL 21 Cb -0.17 -3.38 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2i9h s VAL 21 CO 0.12 0.36 0.45 -0.69 0.00 0.00 0.00 175.10 175.34 2i9h s VAL 22 N 1.08 4.74 -0.16 2.92 1.01 0.18 -2.31 120.40 127.86 2i9h s VAL 22 Ca 0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.22 2i9h s VAL 22 Cb -0.14 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2i9h s VAL 22 CO 0.04 -0.84 0.02 -0.69 0.00 0.00 0.00 175.10 173.63 2i9h s VAL 23 N 1.31 4.46 -0.18 2.92 1.01 0.20 -2.46 120.40 127.66 2i9h s VAL 23 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2i9h s VAL 23 Cb -0.26 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2i9h s VAL 23 CO 0.00 0.50 0.13 -0.62 0.00 0.00 0.00 175.10 175.11 2i9h s ASP 24 N 0.14 6.24 -0.80 3.32 -1.08 -1.20 -0.48 116.67 122.81 2i9h s ASP 24 Ca 0.02 0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 2i9h s ASP 24 Cb -0.13 -2.08 0.33 0.00 -1.46 0.00 0.00 42.92 39.58 2i9h s ASP 24 CO 0.01 0.24 2.10 0.49 0.52 0.00 0.00 175.17 178.53 2i9h n PHE 25 N 3.13 2.87 -1.54 -5.34 3.01 -0.68 0.15 117.46 119.06 2i9h n PHE 25 Ca -0.17 -2.34 -0.41 0.00 1.01 0.00 0.00 57.45 55.54 2i9h n PHE 25 Cb 0.53 -1.23 0.02 0.00 -0.01 0.00 0.00 39.48 38.79 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 -0.44 0.34 -0.56 1.38 0.18 -1.24 -4.41 117.16 112.41 2i9h n TYR 26 Ca 0.54 0.54 -0.30 0.00 1.88 0.00 0.00 57.90 60.57 2i9h n TYR 26 Cb 0.29 -2.10 0.22 0.00 -0.38 0.00 0.00 39.34 37.37 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 -0.92 -1.97 -0.67 -3.48 0.00 -1.26 -3.36 120.51 108.85 2i9h n ALA 27 Ca 0.11 -0.90 -0.01 0.00 0.00 0.00 0.00 53.44 52.63 2i9h n ALA 27 Cb 0.41 -2.09 0.29 0.00 0.00 0.00 0.00 19.45 18.06 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 -4.67 2.48 0.00 0.00 5.66 -1.26 -4.43 114.28 112.05 2i9h n THR 28 Ca 0.07 -1.30 0.00 0.00 -3.05 0.00 0.00 64.05 59.77 2i9h n THR 28 Cb 0.53 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 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 0.14 -0.53 -1.09 1.09 4.27 -1.26 -4.87 117.44 115.19 2i9h n TRP 29 Ca 0.31 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.55 2i9h n TRP 29 Cb 1.17 0.24 0.05 0.00 -1.36 0.00 0.00 31.31 31.41 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 2.68 -0.54 0.47 0.00 0.00 -1.26 -4.34 105.19 102.20 2i9h n GLY 31 Ca 0.04 -0.01 0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.07 0.00 0.64 1.61 0.13 -1.98 -2.20 132.00 130.13 2i9h h PRO 32 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2i9h h PRO 32 Cb 0.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.18 2i9h h PRO 32 CO 0.00 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 177.46 2i9h h LYS 34 N -0.93 0.00 0.00 0.00 2.10 -1.59 0.43 116.57 116.58 2i9h h LYS 34 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2i9h h LYS 34 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2i9h h LYS 34 CO 0.15 0.00 0.00 -0.12 -2.00 0.00 0.00 179.45 177.48 2i9h n MET 35 N -3.24 0.82 0.12 0.07 1.56 -1.08 -2.76 117.12 112.62 2i9h n MET 35 Ca -0.00 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.55 2i9h n MET 35 Cb 0.33 -1.43 0.13 0.00 2.15 0.00 0.00 33.22 34.41 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 0.00 -0.78 1.12 2.04 -0.15 -3.36 117.51 116.38 2i9h h ILE 36 Ca 0.00 -0.81 0.16 0.00 1.00 0.00 0.00 64.86 65.21 2i9h h ILE 36 Cb 0.00 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.49 2i9h h ILE 36 CO 0.00 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.44 2i9h h ALA 37 N 2.19 1.10 -0.09 1.87 0.00 -1.69 0.61 119.26 123.25 2i9h h ALA 37 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2i9h h ALA 37 Cb 0.90 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2i9h h ALA 37 CO 0.00 -0.26 -0.72 -1.00 0.00 0.00 0.00 179.25 177.26 2i9h h PRO 38 N 0.40 0.44 0.15 0.00 0.13 -1.84 -3.00 132.00 128.27 2i9h h PRO 38 Ca 0.44 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2i9h h PRO 38 Cb 0.72 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2i9h h PRO 38 CO -0.45 0.99 -0.07 1.98 -0.23 0.00 0.00 178.00 180.21 2i9h h MET 39 N 0.30 -0.20 -1.12 0.86 -1.53 -1.37 -2.27 114.93 109.60 2i9h h MET 39 Ca -0.03 0.01 0.33 0.00 -3.44 0.00 0.00 59.70 56.57 2i9h h MET 39 Cb 1.30 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 32.35 2i9h h MET 39 CO 0.13 0.08 0.84 0.82 0.14 0.00 0.00 176.91 178.92 2i9h h ILE 40 N -0.47 0.39 0.03 1.77 2.04 0.14 0.82 117.51 122.22 2i9h h ILE 40 Ca -0.02 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.61 2i9h h ILE 40 Cb 0.37 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2i9h h ILE 40 CO 0.03 0.00 -0.98 -0.08 0.00 0.00 0.00 178.15 177.12 2i9h h GLU 41 N 0.00 0.29 0.00 2.37 4.81 -1.28 -3.16 114.58 117.61 2i9h h GLU 41 Ca 0.53 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2i9h h GLU 41 Cb 2.20 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.69 2i9h h GLU 41 CO -0.01 1.07 -0.06 0.87 -0.73 0.00 0.00 179.01 180.16 2i9h h LYS 42 N 0.15 0.00 0.00 1.92 1.57 0.12 -2.25 116.57 118.07 2i9h h LYS 42 Ca -0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2i9h h LYS 42 Cb 1.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 2i9h h LYS 42 CO 0.16 0.06 -1.21 1.19 -0.57 0.00 0.00 179.45 179.08 2i9h n PHE 43 N -3.44 0.95 0.39 -1.35 3.01 -1.09 -3.90 117.46 112.05 2i9h n PHE 43 Ca -0.02 0.29 0.05 0.00 1.01 0.00 0.00 57.45 58.79 2i9h n PHE 43 Cb 0.19 -1.01 0.24 0.00 -0.01 0.00 0.00 39.48 38.89 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 -2.76 0.00 0.04 4.37 3.41 -0.85 -1.96 113.62 115.88 2i9h n SER 44 Ca -0.04 0.43 -0.01 0.00 -0.26 0.00 0.00 58.87 58.99 2i9h n SER 44 Cb 0.68 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.09 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2i9h h GLU 45 N 0.00 0.00 0.00 4.33 5.08 -1.68 -3.06 114.58 119.26 2i9h h GLU 45 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2i9h h GLU 45 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2i9h h GLU 45 CO 0.00 0.35 -1.72 1.04 -1.00 0.00 0.00 179.01 177.69 2i9h n GLN 46 N -2.96 0.63 -2.34 2.33 6.02 -0.83 -4.38 117.38 115.86 2i9h n GLN 46 Ca -0.09 0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.96 2i9h n GLN 46 Cb 0.85 -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 -3.03 2.86 -0.57 1.08 4.01 -0.98 -4.90 117.16 115.63 2i9h n TYR 47 Ca -0.17 -2.70 0.44 0.00 -0.16 0.00 0.00 57.90 55.32 2i9h n TYR 47 Cb 1.05 -0.21 0.70 0.00 -0.31 0.00 0.00 39.34 40.57 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 -0.54 -0.01 0.20 -0.72 -0.02 -1.15 0.19 135.00 132.95 2i9h n PRO 48 Ca 0.37 1.04 0.15 0.00 -2.02 0.00 0.00 63.50 63.03 2i9h n PRO 48 Cb 0.80 -2.27 0.66 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.00 -5.83 -0.52 1.08 -1.90 -3.42 115.11 104.52 2i9h h GLN 49 Ca 0.84 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 57.36 2i9h h GLN 49 Cb 3.14 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 30.46 2i9h h GLN 49 CO -0.16 0.00 -0.56 0.00 -0.95 0.00 0.00 178.83 177.16 2i9h s ALA 50 N -3.56 3.53 -0.24 3.87 0.00 0.51 -4.04 121.76 121.83 2i9h s ALA 50 Ca 0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 2i9h s ALA 50 Cb 0.09 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2i9h s ALA 50 CO 0.40 0.60 0.63 -0.51 0.00 0.00 0.00 175.76 176.88 2i9h s ASP 51 N -0.93 6.61 -1.03 0.00 1.11 0.03 -4.92 116.67 117.55 2i9h s ASP 51 Ca 0.14 0.75 -0.12 0.00 0.18 0.00 0.00 52.55 53.50 2i9h s ASP 51 Cb -0.12 -2.34 0.24 0.00 1.07 0.00 0.00 42.92 41.77 2i9h s ASP 51 CO 0.03 -0.35 1.05 -0.36 1.18 0.00 0.00 175.17 176.73 2i9h s PHE 52 N 2.34 3.94 0.28 4.23 0.40 -1.26 0.50 117.98 128.40 2i9h s PHE 52 Ca 0.27 -2.32 0.04 0.00 -0.60 0.00 0.00 56.93 54.32 2i9h s PHE 52 Cb -0.16 -3.93 0.05 0.00 0.51 0.00 0.00 43.02 39.49 2i9h s PHE 52 CO 0.09 -1.06 0.38 0.66 0.70 0.00 0.00 175.22 175.99 2i9h n TYR 53 N 3.73 -2.70 -3.75 0.36 4.01 -1.03 -3.00 117.16 114.78 2i9h n TYR 53 Ca 0.22 -0.98 -0.13 0.00 -0.16 0.00 0.00 57.90 56.85 2i9h n TYR 53 Cb 0.43 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 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 -3.26 0.47 -0.20 -0.72 1.02 0.34 -3.27 119.74 114.13 2i9h s LYS 54 Ca 0.29 0.40 -0.10 0.00 0.02 0.00 0.00 55.97 56.58 2i9h s LYS 54 Cb -0.02 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2i9h s LYS 54 CO 0.18 -0.08 0.12 -1.17 -0.92 0.00 0.00 175.35 173.49 2i9h s LEU 55 N -0.06 4.17 -0.37 3.17 1.98 0.39 0.16 118.68 128.12 2i9h s LEU 55 Ca -0.02 0.22 -0.23 0.00 -2.89 0.00 0.00 54.13 51.21 2i9h s LEU 55 Cb -0.03 -2.08 0.01 0.00 0.66 0.00 0.00 46.19 44.76 2i9h s LEU 55 CO 0.01 0.19 0.77 -1.81 -1.89 0.00 0.00 176.35 173.62 2i9h s ASP 56 N 0.31 6.53 0.00 3.68 1.01 -0.99 -3.63 116.67 123.58 2i9h s ASP 56 Ca 0.08 0.29 0.27 0.00 0.71 0.00 0.00 52.55 53.90 2i9h s ASP 56 Cb -0.11 -2.39 1.49 0.00 1.01 0.00 0.00 42.92 42.92 2i9h s ASP 56 CO -0.02 -0.73 1.95 0.52 0.21 0.00 0.00 175.17 177.11 2i9h n VAL 57 N 5.80 0.08 -0.06 -1.27 0.31 -1.21 -1.23 118.33 120.73 2i9h n VAL 57 Ca 0.02 0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 2i9h n VAL 57 Cb 0.48 -0.58 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 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 0.00 0.59 4.52 3.58 -1.88 -3.29 116.42 119.94 2i9h h ASP 58 Ca 0.00 -0.40 -0.24 0.00 0.42 0.00 0.00 57.03 56.80 2i9h h ASP 58 Cb 0.13 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 2i9h h ASP 58 CO 0.00 0.80 -1.57 -0.08 -2.88 0.00 0.00 179.24 175.50 2i9h h GLU 59 N -1.00 0.00 -1.93 0.28 4.57 -1.84 -3.38 114.58 111.28 2i9h h GLU 59 Ca -0.03 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 57.44 2i9h h GLU 59 Cb 0.53 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 28.79 2i9h h GLU 59 CO -0.02 0.43 0.33 1.28 -1.18 0.00 0.00 179.01 179.86 2i9h n LEU 60 N -3.00 6.32 0.16 1.64 4.32 -0.36 -4.75 117.00 121.34 2i9h n LEU 60 Ca -0.14 -5.14 0.12 0.00 -0.02 0.00 0.00 56.01 50.83 2i9h n LEU 60 Cb 0.97 -0.85 0.58 0.00 -1.62 0.00 0.00 43.42 42.50 2i9h n LEU 60 CO 0.44 2.02 0.87 1.23 -1.22 0.00 0.00 177.39 180.73 2i9h h GLY 61 N 3.07 0.00 1.71 -0.72 0.00 -1.74 -2.04 103.07 103.34 2i9h h GLY 61 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.55 2i9h h GLY 61 CO 1.15 0.00 -1.12 -0.55 0.00 0.00 0.00 176.54 176.02 2i9h h ASP 62 N 0.00 0.00 0.04 0.19 3.32 -1.90 -3.23 116.42 114.83 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 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2i9h h ASP 62 CO 0.00 0.91 -0.02 0.58 -1.72 0.00 0.00 179.24 178.99 2i9h h VAL 63 N 0.00 1.36 -0.33 -1.35 2.07 -1.76 0.71 116.25 116.95 2i9h h VAL 63 Ca -0.08 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.07 2i9h h VAL 63 Cb 1.77 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 2i9h h VAL 63 CO 0.11 0.36 0.35 0.00 0.02 0.00 0.00 177.57 178.41 2i9h h ALA 64 N 0.17 2.03 0.10 1.67 0.00 -1.68 0.01 119.26 121.55 2i9h h ALA 64 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2i9h h ALA 64 Cb 0.63 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2i9h h ALA 64 CO 0.01 -0.52 -1.95 0.94 0.00 0.00 0.00 179.25 177.73 2i9h n GLN 65 N -3.79 0.73 -0.24 0.00 0.00 -1.14 0.16 117.38 113.09 2i9h n GLN 65 Ca 0.05 0.27 -0.06 0.00 -0.00 0.00 0.00 57.00 57.26 2i9h n GLN 65 Cb 0.51 -1.72 0.05 0.00 0.00 0.00 0.00 30.24 29.07 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2i9h h LYS 66 N 0.06 0.95 -0.01 3.69 5.09 0.22 -0.94 116.57 125.63 2i9h h LYS 66 Ca -0.40 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2i9h h LYS 66 Cb 2.03 -0.18 0.00 0.00 0.10 0.00 0.00 32.23 34.18 2i9h h LYS 66 CO 0.08 0.71 -0.01 0.09 -2.09 0.00 0.00 179.45 178.24 2i9h n ASN 67 N -4.51 0.54 -2.26 7.07 3.02 -0.21 -4.90 115.26 114.00 2i9h n ASN 67 Ca 0.05 -1.12 -0.16 0.00 -0.03 0.00 0.00 54.58 53.32 2i9h n ASN 67 Cb 0.09 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.61 -3.67 -2.99 3.52 1.02 -0.36 -4.95 120.64 112.59 2i9h n GLU 68 Ca 0.21 0.66 -0.32 0.00 -0.02 0.00 0.00 57.16 57.69 2i9h n GLU 68 Cb 0.21 -4.99 -0.03 0.00 -0.02 0.00 0.00 31.44 26.60 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 -4.17 3.87 0.54 2.62 0.31 0.42 -4.79 118.33 117.14 2i9h n VAL 69 Ca -0.08 -5.64 0.12 0.00 -0.01 0.00 0.00 64.34 58.73 2i9h n VAL 69 Cb 0.59 -1.68 0.45 0.00 -0.91 0.00 0.00 33.84 32.29 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 0.23 0.60 -3.08 4.52 3.41 -1.16 -4.67 113.62 113.47 2i9h n SER 70 Ca 0.34 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2i9h n SER 70 Cb 0.36 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 -1.73 0.00 -3.18 7.33 0.00 -1.26 -4.96 120.51 116.72 2i9h n ALA 71 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2i9h n ALA 71 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.21 0.16 0.00 0.00 0.23 -1.26 -4.45 119.30 111.78 2i9h s MET 72 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.97 2i9h s MET 72 Cb 0.00 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 2i9h s MET 72 CO 0.00 -0.16 0.00 -0.35 -2.03 0.00 0.00 175.02 172.48 2i9h n PRO 73 N 5.35 0.92 -3.52 3.16 -0.04 -1.26 -4.84 135.00 134.77 2i9h n PRO 73 Ca -0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2i9h n PRO 73 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.23 0.00 -0.19 0.52 2.01 -1.26 -4.29 115.64 112.66 2i9h s THR 74 Ca 0.00 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2i9h s THR 74 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2i9h s THR 74 CO 0.00 -0.00 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.12 2i9h s LEU 75 N -1.20 3.03 -0.12 4.42 1.43 0.56 -1.69 118.68 125.12 2i9h s LEU 75 Ca -0.11 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2i9h s LEU 75 Cb -0.00 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2i9h s LEU 75 CO 0.10 0.07 -0.15 -0.76 0.23 0.00 0.00 176.35 175.83 2i9h s LEU 76 N 0.95 1.74 0.08 1.79 1.43 0.37 0.36 118.68 125.40 2i9h s LEU 76 Ca -0.00 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2i9h s LEU 76 Cb -0.15 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2i9h s LEU 76 CO 0.01 0.00 -0.03 -0.76 0.23 0.00 0.00 176.35 175.80 2i9h s LEU 77 N 1.09 3.34 -0.14 1.79 1.02 0.04 -0.63 118.68 125.19 2i9h s LEU 77 Ca -0.04 -0.22 -0.07 0.00 0.02 0.00 0.00 54.13 53.82 2i9h s LEU 77 Cb -0.14 -2.07 0.06 0.00 0.02 0.00 0.00 46.19 44.06 2i9h s LEU 77 CO -0.04 0.19 0.34 -0.36 0.02 0.00 0.00 176.35 176.50 2i9h s PHE 78 N -1.25 -0.50 -0.07 0.29 0.08 -0.98 -3.30 117.98 112.26 2i9h s PHE 78 Ca 0.24 1.09 0.03 0.00 0.12 0.00 0.00 56.93 58.41 2i9h s PHE 78 Cb -0.11 0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.48 2i9h s PHE 78 CO 0.16 -0.31 -0.16 0.15 -0.10 0.00 0.00 175.22 174.96 2i9h s LYS 79 N 1.51 2.68 -1.32 0.44 1.02 -1.15 -2.21 119.74 120.71 2i9h s LYS 79 Ca -0.08 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.13 2i9h s LYS 79 Cb -0.10 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2i9h s LYS 79 CO -0.11 0.51 0.57 0.09 -0.92 0.00 0.00 175.35 175.49 2i9h n ASN 80 N 2.64 -1.66 -1.34 2.83 4.13 -1.22 -0.20 115.26 120.43 2i9h n ASN 80 Ca -0.17 -0.97 -0.16 0.00 1.68 0.00 0.00 54.58 54.96 2i9h n ASN 80 Cb 0.52 -3.36 -0.07 0.00 -1.54 0.00 0.00 39.78 35.34 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 -1.82 1.55 0.00 7.41 0.00 0.61 -4.00 105.19 108.93 2i9h n GLY 81 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.83 4.00 -3.81 1.61 5.02 0.72 -4.63 118.16 119.23 2i9h n LYS 82 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.88 2i9h n LYS 82 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.59 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 1.44 2.29 0.00 1.97 2.12 -1.26 -2.96 118.70 122.31 2i9h s GLU 83 Ca 0.00 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 53.41 2i9h s GLU 83 Cb 0.00 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2i9h s GLU 83 CO 0.00 -0.55 0.00 1.33 -0.54 0.00 0.00 175.26 175.50 2i9h n VAL 84 N -1.73 0.00 -3.73 3.70 0.24 -1.21 -3.61 118.33 111.99 2i9h n VAL 84 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2i9h n VAL 84 Cb 0.64 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i9h s ALA 85 N -1.74 -1.78 -0.28 2.33 0.00 -1.23 -5.03 121.76 114.03 2i9h s ALA 85 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2i9h s ALA 85 Cb 0.00 0.58 0.08 0.00 0.00 0.00 0.00 23.12 23.78 2i9h s ALA 85 CO 0.00 -1.05 0.70 -1.59 0.00 0.00 0.00 175.76 173.82 2i9h s LYS 86 N -3.05 0.73 -0.21 0.00 0.00 -1.26 -0.78 119.74 115.17 2i9h s LYS 86 Ca 0.13 1.17 -0.04 0.00 0.00 0.00 0.00 55.97 57.24 2i9h s LYS 86 Cb -0.00 0.20 0.10 0.00 0.00 0.00 0.00 37.83 38.13 2i9h s LYS 86 CO 0.01 -0.14 0.25 0.08 0.00 0.00 0.00 175.35 175.55 2i9h s VAL 87 N 1.36 -0.36 -0.70 1.79 1.01 0.16 -5.00 120.40 118.65 2i9h s VAL 87 Ca -0.08 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 2i9h s VAL 87 Cb -0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 36.38 35.44 2i9h s VAL 87 CO -0.15 -0.22 1.90 0.55 0.00 0.00 0.00 175.10 177.18 2i9h n VAL 88 N 5.32 1.67 0.00 2.92 3.14 -1.26 -0.32 118.33 129.81 2i9h n VAL 88 Ca -0.05 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 59.91 2i9h n VAL 88 Cb 0.49 -2.28 0.00 0.00 -1.06 0.00 0.00 33.84 31.00 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 4.52 2.51 2.13 7.55 0.00 -1.26 -4.83 105.19 115.80 2i9h n GLY 89 Ca 0.49 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.46 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 5.70 -1.96 4.61 0.00 -1.26 -4.57 120.51 123.03 2i9h n ALA 90 Ca 0.00 -2.69 -0.42 0.00 0.00 0.00 0.00 53.44 50.34 2i9h n ALA 90 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 2i9h n ALA 90 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2i9h s ASN 91 N -1.01 6.67 -0.75 0.00 -0.87 -1.26 -4.71 114.94 113.01 2i9h s ASN 91 Ca 0.51 2.57 -0.14 0.00 -1.57 0.00 0.00 52.86 54.22 2i9h s ASN 91 Cb 0.40 -2.60 -0.20 0.00 -0.02 0.00 0.00 41.25 38.83 2i9h s ASN 91 CO 0.01 -0.73 1.97 -2.65 -2.57 0.00 0.00 177.10 173.14 2i9h n PRO 92 N 3.25 0.16 0.00 -0.60 -0.02 -1.26 -2.54 135.00 133.99 2i9h n PRO 92 Ca 0.10 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 2i9h n PRO 92 Cb 0.40 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 11.09 0.00 -0.02 3.55 0.00 -1.26 -5.01 120.51 128.86 2i9h n ALA 93 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 2i9h n ALA 93 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 2.48 0.17 0.00 0.00 -1.05 -4.38 120.51 117.73 2i9h n ALA 94 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.36 2i9h n ALA 94 Cb 0.00 0.44 0.43 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.10 0.00 0.00 0.00 6.09 -1.81 0.98 117.51 122.67 2i9h h ILE 95 Ca -0.10 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.15 2i9h h ILE 95 Cb 1.10 0.35 -0.04 0.00 0.47 0.00 0.00 36.82 38.71 2i9h h ILE 95 CO -0.05 0.00 -1.37 2.29 -3.07 0.00 0.00 178.15 175.95 2i9h n LYS 96 N -2.14 0.56 0.08 2.19 2.85 -1.26 -3.95 118.16 116.49 2i9h n LYS 96 Ca -0.01 0.53 -0.07 0.00 -1.05 0.00 0.00 58.31 57.71 2i9h n LYS 96 Cb 0.27 -1.71 0.06 0.00 -0.65 0.00 0.00 35.03 33.00 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 0.24 0.00 -1.58 4.20 -1.50 -2.86 115.11 112.61 2i9h h GLN 97 Ca -0.37 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.14 2i9h h GLN 97 Cb 1.28 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 2i9h h GLN 97 CO -0.22 0.86 -0.00 0.00 -0.67 0.00 0.00 178.83 178.80 2i9h h ALA 98 N 1.08 1.64 0.00 3.87 0.00 0.75 0.22 119.26 126.83 2i9h h ALA 98 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 98 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2i9h h ALA 98 CO 0.11 0.00 -0.94 -0.89 0.00 0.00 0.00 179.25 177.54 2i9h n ILE 99 N -4.02 0.50 -0.03 0.00 5.41 -1.12 -3.72 119.36 116.39 2i9h n ILE 99 Ca -0.03 -0.45 -0.02 0.00 1.00 0.00 0.00 62.75 63.24 2i9h n ILE 99 Cb 0.08 -0.23 -0.01 0.00 -0.71 0.00 0.00 39.64 38.78 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 -2.06 0.21 -0.17 -1.39 0.00 0.03 -2.26 120.51 114.87 2i9h n ALA 100 Ca 0.01 -0.27 0.29 0.00 0.00 0.00 0.00 53.44 53.47 2i9h n ALA 100 Cb 0.51 0.01 0.71 0.00 0.00 0.00 0.00 19.45 20.68 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 -1.55 2.79 0.11 0.00 0.00 -0.89 0.83 119.26 120.54 2i9h h ALA 101 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 2i9h h ALA 101 Cb 0.24 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2i9h h ALA 101 CO 0.00 -1.22 -1.96 0.09 0.00 0.00 0.00 179.25 176.16 2i9h n ASN 102 N -3.95 1.97 -0.37 0.00 3.02 -1.24 -5.10 115.26 109.58 2i9h n ASN 102 Ca 0.19 0.24 0.05 0.00 -0.03 0.00 0.00 54.58 55.03 2i9h n ASN 102 Cb 1.06 -0.76 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 2i9h n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64