#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 0.13 3.17 0.11 -1.26 -4.56 120.40 117.98 2i9h s VAL 2 Ca 0.00 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2i9h s VAL 2 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 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 0.71 0.09 0.16 5.04 2.01 -1.21 -5.04 115.64 117.40 2i9h s THR 3 Ca -0.02 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2i9h s THR 3 Cb -0.05 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.05 2i9h s THR 3 CO -0.10 -0.41 0.19 0.00 -0.69 0.00 0.00 174.62 173.61 2i9h n GLN 4 N -0.18 1.00 -3.93 4.92 6.02 -1.26 0.14 117.38 124.09 2i9h n GLN 4 Ca -0.13 -0.89 -0.17 0.00 -0.01 0.00 0.00 57.00 55.80 2i9h n GLN 4 Cb 0.63 -0.02 -0.16 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.22 0.35 -0.06 1.08 0.08 0.23 -4.62 117.98 114.82 2i9h s PHE 5 Ca 0.14 -0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.25 2i9h s PHE 5 Cb -0.01 -0.44 -0.09 0.00 -0.57 0.00 0.00 43.02 41.91 2i9h s PHE 5 CO 0.09 -0.14 0.05 1.63 -0.10 0.00 0.00 175.22 176.75 2i9h n LYS 6 N 4.18 2.38 -4.62 0.44 4.76 -1.26 -3.13 118.16 120.91 2i9h n LYS 6 Ca -0.25 -0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 54.93 2i9h n LYS 6 Cb 0.50 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.35 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 -2.24 1.16 0.59 -0.18 -4.23 -1.26 -4.56 115.64 104.92 2i9h s THR 7 Ca -0.03 -0.52 0.29 0.00 -1.18 0.00 0.00 61.69 60.24 2i9h s THR 7 Cb 0.03 -1.03 0.36 0.00 1.34 0.00 0.00 72.50 73.20 2i9h s THR 7 CO 0.30 0.35 2.09 0.00 -0.54 0.00 0.00 174.62 176.82 2i9h h ALA 8 N 6.67 1.80 0.00 3.99 0.00 -1.96 0.12 119.26 129.87 2i9h h ALA 8 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2i9h h ALA 8 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2i9h h ALA 8 CO 0.48 -0.32 0.01 1.03 0.00 0.00 0.00 179.25 180.45 2i9h h SER 9 N 0.00 0.00 0.00 0.00 0.87 -1.99 0.68 113.55 113.11 2i9h h SER 9 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2i9h h SER 9 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2i9h h SER 9 CO -0.00 0.00 -0.26 -0.62 -0.53 0.00 0.00 176.83 175.42 2i9h n GLU 10 N -2.81 0.23 -0.02 2.24 1.02 0.40 -4.33 120.64 117.38 2i9h n GLU 10 Ca -0.02 0.38 0.22 0.00 -0.02 0.00 0.00 57.16 57.72 2i9h n GLU 10 Cb 0.07 -1.22 0.71 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.51 0.00 -0.77 -0.32 3.57 -1.57 -0.17 116.94 117.17 2i9h h PHE 11 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2i9h h PHE 11 Cb 0.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2i9h h PHE 11 CO -0.11 0.00 0.51 0.22 -2.23 0.00 0.00 178.31 176.70 2i9h h ASP 12 N 0.00 0.50 0.39 0.41 3.58 -1.05 -1.70 116.42 118.55 2i9h h ASP 12 Ca 0.28 0.02 -0.32 0.00 0.42 0.00 0.00 57.03 57.43 2i9h h ASP 12 Cb 1.18 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 42.16 2i9h h ASP 12 CO -0.00 0.27 -1.50 0.77 -2.88 0.00 0.00 179.24 175.90 2i9h h SER 13 N 0.54 0.56 -0.69 2.28 4.64 -1.22 -3.06 113.55 116.60 2i9h h SER 13 Ca 0.37 -0.70 0.15 0.00 -0.47 0.00 0.00 61.79 61.14 2i9h h SER 13 Cb 0.70 -0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 62.48 2i9h h SER 13 CO -0.14 1.57 -0.10 0.00 -0.87 0.00 0.00 176.83 177.29 2i9h h ALA 14 N 0.35 0.56 0.00 5.18 0.00 -1.19 -2.59 119.26 121.57 2i9h h ALA 14 Ca -0.24 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i9h h ALA 14 Cb 2.07 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.32 2i9h h ALA 14 CO 0.20 -0.42 -0.01 -0.84 0.00 0.00 0.00 179.25 178.18 2i9h h ILE 15 N 0.04 1.70 -0.04 0.00 3.07 -1.66 -3.40 117.51 117.22 2i9h h ILE 15 Ca 0.35 -2.07 -0.43 0.00 1.55 0.00 0.00 64.86 64.26 2i9h h ILE 15 Cb 0.57 3.11 -0.10 0.00 -0.27 0.00 0.00 36.82 40.12 2i9h h ILE 15 CO -0.67 0.54 1.85 0.00 -1.05 0.00 0.00 178.15 178.82 2i9h n ALA 16 N -2.55 0.67 -3.18 0.16 0.00 -0.98 0.29 120.51 114.93 2i9h n ALA 16 Ca -0.10 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 2i9h n ALA 16 Cb 0.43 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 7.20 -1.32 -2.18 0.00 6.02 -1.26 -4.64 117.38 121.20 2i9h n GLN 17 Ca 0.66 1.33 -0.02 0.00 -0.01 0.00 0.00 57.00 58.97 2i9h n GLN 17 Cb 0.10 -2.22 0.07 0.00 1.02 0.00 0.00 30.24 29.20 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 0.71 -0.85 0.00 1.08 -0.08 -1.16 -4.89 116.55 111.36 2i9h n ASP 18 Ca -0.01 -1.68 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 2i9h n ASP 18 Cb 0.47 0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.37 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 -0.79 0.00 -3.44 -0.67 4.01 -1.26 -4.60 118.16 111.41 2i9h n LYS 19 Ca -0.10 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.29 2i9h n LYS 19 Cb 0.70 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 4.48 -0.21 -0.35 2.96 -1.26 -3.18 118.68 121.12 2i9h s LEU 20 Ca 0.00 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 2i9h s LEU 20 Cb 0.00 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 2i9h s LEU 20 CO 0.00 -0.31 0.15 -0.69 -1.32 0.00 0.00 176.35 174.18 2i9h s VAL 21 N 1.92 5.39 -0.80 1.68 1.01 -1.02 -2.75 120.40 125.82 2i9h s VAL 21 Ca 0.10 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 2i9h s VAL 21 Cb -0.17 -3.49 0.21 0.00 0.00 0.00 0.00 36.38 32.93 2i9h s VAL 21 CO 0.11 0.40 0.75 -0.69 0.00 0.00 0.00 175.10 175.67 2i9h s VAL 22 N 0.62 5.55 -0.18 2.92 1.01 0.12 -3.04 120.40 127.40 2i9h s VAL 22 Ca 0.08 -2.34 -0.08 0.00 0.00 0.00 0.00 61.98 59.64 2i9h s VAL 22 Cb -0.12 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 2i9h s VAL 22 CO 0.01 -1.02 0.11 -0.69 0.00 0.00 0.00 175.10 173.50 2i9h s VAL 23 N 0.39 5.22 -0.19 2.92 1.01 -0.68 -2.42 120.40 126.65 2i9h s VAL 23 Ca 0.17 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2i9h s VAL 23 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2i9h s VAL 23 CO -0.08 0.48 0.09 -0.62 0.00 0.00 0.00 175.10 174.98 2i9h s ASP 24 N 0.06 5.82 -0.85 3.32 -1.08 -1.20 -0.42 116.67 122.32 2i9h s ASP 24 Ca 0.08 0.11 -0.02 0.00 -0.52 0.00 0.00 52.55 52.20 2i9h s ASP 24 Cb -0.12 -2.01 0.32 0.00 -1.46 0.00 0.00 42.92 39.65 2i9h s ASP 24 CO -0.00 0.16 2.08 0.49 0.52 0.00 0.00 175.17 178.41 2i9h n PHE 25 N 3.65 2.82 -1.61 -5.34 3.01 -0.64 0.14 117.46 119.49 2i9h n PHE 25 Ca -0.16 -2.33 -0.44 0.00 1.01 0.00 0.00 57.45 55.53 2i9h n PHE 25 Cb 0.52 -1.22 -0.02 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 -0.30 1.47 -2.05 1.38 0.18 -1.25 -4.27 117.16 112.33 2i9h n TYR 26 Ca 0.53 0.67 -0.40 0.00 1.88 0.00 0.00 57.90 60.58 2i9h n TYR 26 Cb 0.26 -2.29 -0.01 0.00 -0.38 0.00 0.00 39.34 36.93 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 -0.97 3.35 0.38 -3.48 0.00 -1.23 -3.29 121.76 116.51 2i9h s ALA 27 Ca 0.59 1.27 0.33 0.00 0.00 0.00 0.00 51.96 54.15 2i9h s ALA 27 Cb -0.69 -3.50 1.78 0.00 0.00 0.00 0.00 23.12 20.72 2i9h s ALA 27 CO 0.59 -0.80 1.99 0.00 0.00 0.00 0.00 175.76 177.55 2i9h h THR 28 N 2.65 0.00 0.00 0.00 1.03 -1.90 -3.40 112.91 111.28 2i9h h THR 28 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2i9h h THR 28 Cb 1.24 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.05 2i9h h THR 28 CO 0.63 0.00 0.00 -2.67 -0.01 0.00 0.00 175.52 173.47 2i9h n TRP 29 N -2.72 0.00 -1.46 0.00 4.27 -1.26 -4.97 117.44 111.29 2i9h n TRP 29 Ca -0.02 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.69 2i9h n TRP 29 Cb 0.15 0.00 -0.06 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 -3.62 1.03 2.59 0.00 0.00 -1.26 -4.56 105.19 99.37 2i9h n GLY 31 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2i9h n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i9h n PRO 32 N -0.68 2.36 -0.01 1.61 -0.04 -1.26 -4.11 135.00 132.87 2i9h n PRO 32 Ca 0.00 -1.64 0.06 0.00 -0.04 0.00 0.00 63.50 61.88 2i9h n PRO 32 Cb 0.00 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 30.79 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.93 -3.28 116.57 112.93 2i9h h LYS 34 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2i9h h LYS 34 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2i9h h LYS 34 CO 0.00 0.29 0.00 -0.12 -0.57 0.00 0.00 179.45 179.06 2i9h n MET 35 N -2.99 0.09 0.05 3.15 1.56 -1.26 -1.58 117.12 116.13 2i9h n MET 35 Ca -0.03 0.50 -0.08 0.00 -0.27 0.00 0.00 57.70 57.82 2i9h n MET 35 Cb 0.73 -1.74 -0.12 0.00 2.15 0.00 0.00 33.22 34.23 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 1.54 -0.73 1.12 5.03 -1.84 -3.33 117.51 119.30 2i9h h ILE 36 Ca 0.00 -3.27 0.16 0.00 -0.12 0.00 0.00 64.86 61.62 2i9h h ILE 36 Cb 0.11 2.77 -0.11 0.00 -3.03 0.00 0.00 36.82 36.56 2i9h h ILE 36 CO 0.00 0.88 0.18 0.00 -0.68 0.00 0.00 178.15 178.53 2i9h h ALA 37 N 0.98 0.95 -0.25 1.87 0.00 -1.50 0.83 119.26 122.14 2i9h h ALA 37 Ca -0.07 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2i9h h ALA 37 Cb 1.83 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 2i9h h ALA 37 CO 0.12 -0.33 -0.51 -1.00 0.00 0.00 0.00 179.25 177.53 2i9h h PRO 38 N 0.28 0.69 0.40 0.00 0.13 -1.74 -2.99 132.00 128.78 2i9h h PRO 38 Ca 0.41 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2i9h h PRO 38 Cb 0.69 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2i9h h PRO 38 CO -0.50 1.04 -0.19 0.52 -0.23 0.00 0.00 178.00 178.63 2i9h h MET 39 N 0.54 -0.52 -1.39 0.86 2.86 -1.21 -1.02 114.93 115.05 2i9h h MET 39 Ca 0.02 0.04 0.40 0.00 -2.06 0.00 0.00 59.70 58.10 2i9h h MET 39 Cb 1.08 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 2i9h h MET 39 CO 0.10 -0.25 1.07 0.82 1.06 0.00 0.00 176.91 179.71 2i9h h ILE 40 N -0.74 0.22 0.23 -1.22 2.04 0.59 0.82 117.51 119.45 2i9h h ILE 40 Ca -0.06 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.47 2i9h h ILE 40 Cb 0.52 0.24 0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2i9h h ILE 40 CO 0.09 0.00 -1.52 -0.08 0.00 0.00 0.00 178.15 176.64 2i9h h GLU 41 N 0.00 0.49 -0.01 2.37 4.81 -1.25 -3.31 114.58 117.67 2i9h h GLU 41 Ca 0.66 -0.84 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2i9h h GLU 41 Cb 2.79 0.31 -0.00 0.00 0.63 0.00 0.00 28.75 32.48 2i9h h GLU 41 CO -0.01 1.40 0.01 0.87 -0.73 0.00 0.00 179.01 180.56 2i9h h LYS 42 N 0.10 0.00 0.00 1.92 1.57 0.19 -0.77 116.57 119.59 2i9h h LYS 42 Ca -0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 2i9h h LYS 42 Cb 2.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.43 2i9h h LYS 42 CO 0.24 0.00 -0.22 0.74 -0.57 0.00 0.00 179.45 179.64 2i9h h PHE 43 N 0.00 0.00 0.00 -1.35 -1.00 -1.48 -3.10 116.94 110.01 2i9h h PHE 43 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2i9h h PHE 43 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2i9h h PHE 43 CO 0.00 0.22 0.00 0.45 -1.61 0.00 0.00 178.31 177.37 2i9h n SER 44 N -3.19 0.18 0.05 2.17 2.88 -0.29 -1.85 113.62 113.57 2i9h n SER 44 Ca 0.02 0.56 -0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2i9h n SER 44 Cb 0.57 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2i9h h GLU 45 N 0.00 0.00 0.02 -1.46 4.39 -1.64 -2.79 114.58 113.10 2i9h h GLU 45 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2i9h h GLU 45 Cb 0.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2i9h h GLU 45 CO 0.00 0.38 -1.74 1.96 -1.16 0.00 0.00 179.01 178.45 2i9h h GLN 46 N 0.00 0.05 -1.54 2.33 4.20 -1.53 -3.39 115.11 115.23 2i9h h GLN 46 Ca -0.13 -0.08 -0.54 0.00 0.06 0.00 0.00 58.65 57.96 2i9h h GLN 46 Cb 1.58 0.03 -0.42 0.00 0.30 0.00 0.00 27.48 28.97 2i9h h GLN 46 CO 0.06 0.63 -0.82 0.66 -0.67 0.00 0.00 178.83 178.68 2i9h n TYR 47 N -3.13 2.97 0.00 2.96 4.01 -0.86 -4.88 117.16 118.23 2i9h n TYR 47 Ca -0.19 -3.19 0.23 0.00 -0.16 0.00 0.00 57.90 54.58 2i9h n TYR 47 Cb 1.05 -0.20 0.66 0.00 -0.31 0.00 0.00 39.34 40.54 2i9h n TYR 47 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2i9h h PRO 48 N 2.72 0.00 -0.10 -0.72 0.13 -1.69 0.64 132.00 132.98 2i9h h PRO 48 Ca 0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 2i9h h PRO 48 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2i9h h PRO 48 CO 0.77 0.00 -0.24 1.96 -0.23 0.00 0.00 178.00 180.26 2i9h h GLN 49 N 0.00 0.16 -6.00 0.86 1.08 -1.90 -3.42 115.11 105.89 2i9h h GLN 49 Ca 0.28 -0.05 -0.61 0.00 -1.45 0.00 0.00 58.65 56.83 2i9h h GLN 49 Cb 1.65 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 29.02 2i9h h GLN 49 CO -0.00 0.40 -0.31 0.00 -0.95 0.00 0.00 178.83 177.97 2i9h s ALA 50 N -4.50 3.78 -0.10 3.87 0.00 0.22 -4.73 121.76 120.31 2i9h s ALA 50 Ca -0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 2i9h s ALA 50 Cb 0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 2i9h s ALA 50 CO 0.73 0.60 0.56 -0.51 0.00 0.00 0.00 175.76 177.14 2i9h s ASP 51 N -1.68 6.79 -0.73 0.00 1.01 -1.11 -4.92 116.67 116.04 2i9h s ASP 51 Ca 0.30 0.95 -0.10 0.00 0.71 0.00 0.00 52.55 54.41 2i9h s ASP 51 Cb -0.14 -2.33 0.19 0.00 1.01 0.00 0.00 42.92 41.65 2i9h s ASP 51 CO 0.17 -0.04 0.62 -0.36 0.21 0.00 0.00 175.17 175.76 2i9h s PHE 52 N 0.69 3.60 0.48 4.23 0.40 -1.26 0.13 117.98 126.25 2i9h s PHE 52 Ca 0.30 -2.25 0.08 0.00 -0.60 0.00 0.00 56.93 54.46 2i9h s PHE 52 Cb -0.16 -3.57 0.08 0.00 0.51 0.00 0.00 43.02 39.88 2i9h s PHE 52 CO 0.13 -0.93 0.64 0.66 0.70 0.00 0.00 175.22 176.42 2i9h n TYR 53 N 3.86 -2.23 -3.86 0.36 4.01 -1.01 -3.31 117.16 114.97 2i9h n TYR 53 Ca 0.10 -1.80 -0.12 0.00 -0.16 0.00 0.00 57.90 55.92 2i9h n TYR 53 Cb 0.43 -0.45 -0.13 0.00 -0.31 0.00 0.00 39.34 38.88 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 -4.18 0.12 -0.02 -0.72 1.02 0.37 -3.22 119.74 113.11 2i9h s LYS 54 Ca 0.49 0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.49 2i9h s LYS 54 Cb -0.04 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2i9h s LYS 54 CO 0.31 -0.02 0.06 -1.17 -0.92 0.00 0.00 175.35 173.61 2i9h s LEU 55 N -0.15 3.80 -0.34 3.17 1.98 0.37 0.74 118.68 128.24 2i9h s LEU 55 Ca -0.02 0.13 -0.13 0.00 -2.89 0.00 0.00 54.13 51.22 2i9h s LEU 55 Cb -0.02 -2.14 -0.02 0.00 0.66 0.00 0.00 46.19 44.67 2i9h s LEU 55 CO 0.00 0.30 0.24 -0.62 -1.89 0.00 0.00 176.35 174.38 2i9h s ASP 56 N -1.54 6.06 0.00 3.68 2.15 -1.18 -3.77 116.67 122.07 2i9h s ASP 56 Ca 0.20 -0.40 0.26 0.00 0.43 0.00 0.00 52.55 53.04 2i9h s ASP 56 Cb -0.12 -2.14 1.38 0.00 -0.30 0.00 0.00 42.92 41.74 2i9h s ASP 56 CO 0.11 -0.23 1.89 0.52 -0.17 0.00 0.00 175.17 177.28 2i9h n VAL 57 N 5.11 0.13 -0.13 1.11 0.31 -1.21 0.04 118.33 123.69 2i9h n VAL 57 Ca -0.13 0.03 -0.27 0.00 -0.01 0.00 0.00 64.34 63.97 2i9h n VAL 57 Cb 0.50 -0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 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 -1.20 1.92 0.11 4.52 2.03 -1.26 -3.35 116.55 119.33 2i9h n ASP 58 Ca 0.14 0.37 -0.24 0.00 0.52 0.00 0.00 54.79 55.59 2i9h n ASP 58 Cb 0.17 -0.87 -0.15 0.00 -0.72 0.00 0.00 41.12 39.54 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 -1.00 0.48 -1.16 -0.67 4.57 -1.90 -3.35 114.58 111.55 2i9h h GLU 59 Ca -0.57 -0.82 -0.63 0.00 -1.18 0.00 0.00 59.36 56.17 2i9h h GLU 59 Cb 1.50 0.30 -0.37 0.00 -0.16 0.00 0.00 28.75 30.02 2i9h h GLU 59 CO -0.35 1.39 -0.07 1.28 -1.18 0.00 0.00 179.01 180.09 2i9h n LEU 60 N -3.70 6.02 0.16 1.64 4.32 0.11 -4.78 117.00 120.77 2i9h n LEU 60 Ca -0.20 -4.74 0.19 0.00 -0.02 0.00 0.00 56.01 51.24 2i9h n LEU 60 Cb 1.08 -0.64 0.75 0.00 -1.62 0.00 0.00 43.42 42.99 2i9h n LEU 60 CO 0.56 1.91 1.16 1.23 -1.22 0.00 0.00 177.39 181.04 2i9h h GLY 61 N 2.33 0.00 0.45 -0.72 0.00 -1.57 -1.32 103.07 102.25 2i9h h GLY 61 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 2i9h h GLY 61 CO 1.10 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 177.09 2i9h h ASP 62 N 0.00 -0.00 -0.14 0.19 3.32 -1.87 -2.45 116.42 115.47 2i9h h ASP 62 Ca 0.14 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.69 2i9h h ASP 62 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2i9h h ASP 62 CO -0.00 0.55 0.21 0.58 -1.72 0.00 0.00 179.24 178.86 2i9h h VAL 63 N -0.56 0.32 0.00 -1.35 2.07 -1.61 1.21 116.25 116.33 2i9h h VAL 63 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2i9h h VAL 63 Cb 0.55 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2i9h h VAL 63 CO 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 177.57 177.04 2i9h h ALA 64 N 1.71 0.66 0.07 1.67 0.00 -1.37 -3.14 119.26 118.86 2i9h h ALA 64 Ca 0.07 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 2i9h h ALA 64 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2i9h h ALA 64 CO -0.00 0.66 -1.86 0.00 0.00 0.00 0.00 179.25 178.04 2i9h n GLN 65 N -3.22 0.70 -0.06 0.00 10.64 0.30 0.19 117.38 125.94 2i9h n GLN 65 Ca 0.02 0.28 -0.08 0.00 -1.83 0.00 0.00 57.00 55.38 2i9h n GLN 65 Cb 0.75 -1.75 -0.01 0.00 -0.86 0.00 0.00 30.24 28.36 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2i9h h LYS 66 N 0.04 0.18 -0.05 2.61 2.10 0.94 -0.90 116.57 121.49 2i9h h LYS 66 Ca -0.36 -0.01 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 33.32 2i9h h LYS 66 CO 0.09 0.12 0.00 0.09 -2.00 0.00 0.00 179.45 177.75 2i9h n ASN 67 N -5.05 0.88 -2.88 7.07 3.02 -1.19 -4.91 115.26 112.21 2i9h n ASN 67 Ca -0.01 -1.43 -0.19 0.00 -0.03 0.00 0.00 54.58 52.91 2i9h n ASN 67 Cb 0.09 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.26 -5.90 -3.89 3.52 1.02 -0.34 -4.99 120.64 109.80 2i9h n GLU 68 Ca 0.18 0.68 -0.34 0.00 -0.02 0.00 0.00 57.16 57.67 2i9h n GLU 68 Cb 0.23 -5.23 -0.13 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.21 2.81 -0.04 2.62 1.01 0.50 -4.88 120.40 119.22 2i9h s VAL 69 Ca 0.42 -2.21 0.06 0.00 0.00 0.00 0.00 61.98 60.25 2i9h s VAL 69 Cb -0.19 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.29 2i9h s VAL 69 CO 0.52 -0.65 1.01 -1.20 0.00 0.00 0.00 175.10 174.79 2i9h n SER 70 N 4.41 1.93 -3.95 3.32 7.64 -1.25 -4.40 113.62 121.31 2i9h n SER 70 Ca 0.01 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.63 2i9h n SER 70 Cb 0.42 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9h n ALA 71 N -0.73 0.00 -2.90 -0.43 0.00 -1.26 -4.83 120.51 110.36 2i9h n ALA 71 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2i9h n ALA 71 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2i9h n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h s MET 72 N 0.00 0.44 0.00 0.00 0.23 -1.26 -3.55 119.30 115.17 2i9h s MET 72 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.45 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 -0.62 0.00 -0.35 -2.03 0.00 0.00 175.02 172.02 2i9h n PRO 73 N 3.75 1.83 -3.75 3.16 -0.04 -1.26 -4.86 135.00 133.83 2i9h n PRO 73 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2i9h n PRO 73 Cb 0.61 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.99 2i9h n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i9h s THR 74 N 1.21 0.08 -0.16 0.52 2.01 -1.26 -4.06 115.64 113.98 2i9h s THR 74 Ca 0.00 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2i9h s THR 74 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2i9h s THR 74 CO 0.00 -0.35 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.70 2i9h s LEU 75 N -1.92 2.68 -0.10 4.42 1.43 -1.11 -1.62 118.68 122.46 2i9h s LEU 75 Ca -0.07 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2i9h s LEU 75 Cb -0.02 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2i9h s LEU 75 CO -0.02 0.10 -0.21 -0.76 0.23 0.00 0.00 176.35 175.70 2i9h s LEU 76 N 0.71 1.99 -0.04 1.79 1.43 0.43 -1.32 118.68 123.68 2i9h s LEU 76 Ca -0.06 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2i9h s LEU 76 Cb -0.15 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2i9h s LEU 76 CO 0.02 0.11 -0.05 -0.76 0.23 0.00 0.00 176.35 175.90 2i9h s LEU 77 N 0.53 3.25 -0.05 1.79 1.02 0.29 -1.68 118.68 123.84 2i9h s LEU 77 Ca -0.15 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 53.94 2i9h s LEU 77 Cb -0.17 -1.78 0.04 0.00 0.02 0.00 0.00 46.19 44.29 2i9h s LEU 77 CO 0.05 0.33 0.10 -0.36 0.02 0.00 0.00 176.35 176.49 2i9h s PHE 78 N -0.91 -0.07 -0.13 0.29 0.08 -1.17 -2.80 117.98 113.28 2i9h s PHE 78 Ca 0.15 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.54 2i9h s PHE 78 Cb -0.11 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2i9h s PHE 78 CO 0.04 -0.16 -0.05 0.15 -0.10 0.00 0.00 175.22 175.10 2i9h s LYS 79 N 1.45 3.36 -1.00 0.44 -0.14 -0.90 -2.44 119.74 120.51 2i9h s LYS 79 Ca -0.05 -0.54 -0.15 0.00 -1.36 0.00 0.00 55.97 53.87 2i9h s LYS 79 Cb -0.12 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 2i9h s LYS 79 CO -0.05 0.38 0.66 0.09 -0.76 0.00 0.00 175.35 175.67 2i9h n ASN 80 N 3.10 -4.85 -1.53 2.83 4.13 -1.19 0.19 115.26 117.95 2i9h n ASN 80 Ca -0.18 -1.04 -0.15 0.00 1.68 0.00 0.00 54.58 54.90 2i9h n ASN 80 Cb 0.53 -2.12 -0.06 0.00 -1.54 0.00 0.00 39.78 36.59 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 1.20 0.00 7.41 0.00 0.84 -4.15 105.19 108.67 2i9h n GLY 81 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 2.43 -3.85 1.61 5.02 0.13 -4.67 118.16 116.77 2i9h n LYS 82 Ca -0.15 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.88 2i9h n LYS 82 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.50 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 0.75 2.27 0.00 1.97 2.12 -1.26 -2.13 118.70 122.42 2i9h s GLU 83 Ca 0.00 -1.98 0.00 0.00 0.36 0.00 0.00 54.97 53.35 2i9h s GLU 83 Cb 0.00 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2i9h s GLU 83 CO 0.00 -0.60 0.00 1.33 -0.54 0.00 0.00 175.26 175.45 2i9h n VAL 84 N -1.76 0.00 -3.55 3.70 0.24 -1.12 -3.60 118.33 112.24 2i9h n VAL 84 Ca -0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.21 2i9h n VAL 84 Cb 0.64 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.70 -1.75 -0.19 2.33 0.00 -1.23 -5.04 121.76 114.18 2i9h s ALA 85 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 2i9h s ALA 85 Cb 0.00 0.53 0.10 0.00 0.00 0.00 0.00 23.12 23.75 2i9h s ALA 85 CO 0.00 -0.77 0.33 -1.59 0.00 0.00 0.00 175.76 173.72 2i9h s LYS 86 N -3.25 0.25 -0.33 0.00 -2.85 -1.26 -0.55 119.74 111.75 2i9h s LYS 86 Ca 0.06 0.66 -0.00 0.00 -1.00 0.00 0.00 55.97 55.69 2i9h s LYS 86 Cb -0.01 -0.28 0.10 0.00 -2.06 0.00 0.00 37.83 35.59 2i9h s LYS 86 CO -0.07 -0.44 0.11 0.08 0.10 0.00 0.00 175.35 175.13 2i9h s VAL 87 N 2.49 1.01 -0.58 1.79 1.01 -0.44 -5.01 120.40 120.67 2i9h s VAL 87 Ca 0.05 -1.60 -0.26 0.00 0.00 0.00 0.00 61.98 60.17 2i9h s VAL 87 Cb -0.14 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 2i9h s VAL 87 CO -0.12 -0.70 2.29 0.54 0.00 0.00 0.00 175.10 177.11 2i9h s VAL 88 N 1.42 3.09 0.00 2.92 0.11 -1.26 -2.77 120.40 123.91 2i9h s VAL 88 Ca 0.11 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2i9h s VAL 88 Cb -0.18 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 2i9h s VAL 88 CO -0.21 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 171.95 2i9h n GLY 89 N 6.11 3.12 2.10 6.54 0.00 -1.26 -4.87 105.19 116.94 2i9h n GLY 89 Ca 0.35 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 5.58 -2.22 4.61 0.00 -1.26 -4.47 120.51 122.76 2i9h n ALA 90 Ca 0.00 -2.60 -0.42 0.00 0.00 0.00 0.00 53.44 50.42 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 -0.80 0.00 0.00 0.00 177.50 176.70 2i9h s ASN 91 N -0.95 7.00 -0.73 0.00 0.01 -1.26 -4.76 114.94 114.25 2i9h s ASN 91 Ca 0.49 2.19 -0.12 0.00 -0.71 0.00 0.00 52.86 54.71 2i9h s ASN 91 Cb 0.39 -2.59 -0.21 0.00 0.41 0.00 0.00 41.25 39.25 2i9h s ASN 91 CO 0.02 -0.50 1.92 -2.65 -1.51 0.00 0.00 177.10 174.39 2i9h n PRO 92 N 3.43 0.12 0.00 -0.60 -0.02 -1.26 -2.70 135.00 133.96 2i9h n PRO 92 Ca 0.08 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2i9h n PRO 92 Cb 0.44 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2i9h n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i9h n ALA 93 N 9.33 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 127.11 2i9h n ALA 93 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2i9h n ALA 93 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 2.56 0.28 0.00 0.00 -1.10 -4.41 120.51 117.85 2i9h n ALA 94 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2i9h n ALA 94 Cb 0.00 0.49 0.52 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.78 0.99 117.51 122.81 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 0.99 0.42 -0.04 0.00 0.47 0.00 0.00 36.82 38.66 2i9h h ILE 95 CO 0.00 0.00 -1.42 2.29 -3.07 0.00 0.00 178.15 175.95 2i9h n LYS 96 N -2.55 0.56 0.10 2.19 2.85 -1.26 -3.96 118.16 116.10 2i9h n LYS 96 Ca -0.01 0.52 -0.02 0.00 -1.05 0.00 0.00 58.31 57.74 2i9h n LYS 96 Cb 0.49 -1.70 0.20 0.00 -0.65 0.00 0.00 35.03 33.38 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 0.00 -1.58 4.20 -1.37 -2.70 115.11 112.85 2i9h h GLN 97 Ca -0.38 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 2i9h h GLN 97 Cb 1.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2i9h h GLN 97 CO -0.23 0.64 -0.09 0.00 -0.67 0.00 0.00 178.83 178.48 2i9h h ALA 98 N 1.35 1.70 -0.00 3.87 0.00 0.76 -0.63 119.26 126.31 2i9h h ALA 98 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i9h h ALA 98 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2i9h h ALA 98 CO 0.07 0.11 -0.41 -0.89 0.00 0.00 0.00 179.25 178.13 2i9h n ILE 99 N -4.21 0.00 -0.00 0.00 5.41 -1.03 -3.65 119.36 115.87 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 0.17 0.32 -0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 -1.17 0.03 -0.07 -1.39 0.00 -0.29 -2.60 120.51 115.02 2i9h n ALA 100 Ca 0.08 -0.15 0.24 0.00 0.00 0.00 0.00 53.44 53.61 2i9h n ALA 100 Cb 0.34 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.94 2.62 0.00 0.00 0.00 -1.66 -2.15 119.26 116.12 2i9h h ALA 101 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2i9h h ALA 101 Cb 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2i9h h ALA 101 CO 0.00 -0.85 -0.08 -0.91 0.00 0.00 0.00 179.25 177.42 2i9h h ASN 102 N 0.00 0.00 -0.03 0.00 4.21 -1.76 -3.52 115.58 114.48 2i9h h ASN 102 Ca 0.32 -0.68 0.00 0.00 1.21 0.00 0.00 56.30 57.15 2i9h h ASN 102 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 2i9h h ASN 102 CO -0.00 0.89 0.00 0.00 -1.29 0.00 0.00 177.43 177.02