#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 4.71 -0.05 3.17 1.01 -1.26 -4.40 120.40 123.58 2i9h s VAL 2 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 2i9h s VAL 2 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2i9h s VAL 2 CO 0.00 0.42 0.33 -0.89 0.00 0.00 0.00 175.10 174.97 2i9h s THR 3 N -1.12 0.04 0.70 3.92 2.01 -1.22 -5.03 115.64 114.93 2i9h s THR 3 Ca 0.20 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2i9h s THR 3 Cb -0.12 -0.59 0.10 0.00 0.01 0.00 0.00 72.50 71.90 2i9h s THR 3 CO 0.11 -0.18 0.97 -1.10 -0.69 0.00 0.00 174.62 173.73 2i9h s GLN 4 N -0.88 1.90 -0.13 4.92 -0.21 -1.26 0.12 119.66 124.12 2i9h s GLN 4 Ca -0.10 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.48 2i9h s GLN 4 Cb -0.04 -2.30 0.01 0.00 1.00 0.00 0.00 33.01 31.68 2i9h s GLN 4 CO 0.03 -1.31 -0.18 -0.06 -2.12 0.00 0.00 175.29 171.66 2i9h s PHE 5 N -3.13 2.28 -0.06 0.91 0.08 0.29 -4.71 117.98 113.64 2i9h s PHE 5 Ca 0.64 -1.14 0.11 0.00 0.12 0.00 0.00 56.93 56.65 2i9h s PHE 5 Cb -0.07 -1.61 -0.16 0.00 -0.57 0.00 0.00 43.02 40.61 2i9h s PHE 5 CO 0.44 -0.56 0.14 1.63 -0.10 0.00 0.00 175.22 176.77 2i9h n LYS 6 N 4.22 1.33 -4.09 0.44 4.76 -1.26 -2.94 118.16 120.62 2i9h n LYS 6 Ca -0.19 -0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 54.94 2i9h n LYS 6 Cb 0.51 -1.28 -0.17 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.53 0.99 0.58 -0.18 -4.23 -1.26 -4.62 115.64 104.40 2i9h s THR 7 Ca -0.05 -0.31 0.30 0.00 -1.18 0.00 0.00 61.69 60.45 2i9h s THR 7 Cb 0.05 -0.99 0.41 0.00 1.34 0.00 0.00 72.50 73.32 2i9h s THR 7 CO 0.47 0.35 1.81 0.00 -0.54 0.00 0.00 174.62 176.70 2i9h h ALA 8 N 7.80 2.45 -0.02 3.99 0.00 -1.97 0.67 119.26 132.18 2i9h h ALA 8 Ca -0.30 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2i9h h ALA 8 Cb 1.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2i9h h ALA 8 CO 0.42 -0.98 0.11 1.03 0.00 0.00 0.00 179.25 179.84 2i9h h SER 9 N 0.00 0.00 0.05 0.00 0.87 -1.98 0.92 113.55 113.41 2i9h h SER 9 Ca 0.31 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.58 2i9h h SER 9 Cb 1.59 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 2i9h h SER 9 CO -0.00 0.00 -1.62 1.21 -0.53 0.00 0.00 176.83 175.89 2i9h n GLU 10 N -3.15 0.65 0.19 2.24 4.07 0.23 -4.05 120.64 120.82 2i9h n GLU 10 Ca -0.02 0.43 0.08 0.00 -0.06 0.00 0.00 57.16 57.59 2i9h n GLU 10 Cb 0.18 -1.72 0.24 0.00 -0.06 0.00 0.00 31.44 30.08 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 -0.54 0.00 -0.62 4.31 3.57 -1.41 -2.61 116.94 119.65 2i9h h PHE 11 Ca -0.39 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 2i9h h PHE 11 Cb 1.63 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 2i9h h PHE 11 CO 0.08 0.28 0.17 0.22 -2.23 0.00 0.00 178.31 176.83 2i9h h ASP 12 N 0.00 0.89 0.82 0.41 1.82 0.68 -2.91 116.42 118.13 2i9h h ASP 12 Ca -0.00 -0.16 -0.17 0.00 -0.39 0.00 0.00 57.03 56.30 2i9h h ASP 12 Cb 1.04 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.79 2i9h h ASP 12 CO 0.04 0.85 -1.28 0.28 -1.61 0.00 0.00 179.24 177.52 2i9h h SER 13 N 0.92 0.00 -0.81 2.28 0.02 -1.69 -3.28 113.55 110.99 2i9h h SER 13 Ca 0.20 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.36 2i9h h SER 13 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 2i9h h SER 13 CO -0.00 0.64 0.56 0.00 -1.14 0.00 0.00 176.83 176.89 2i9h h ALA 14 N 1.36 2.52 0.03 3.77 0.00 -1.26 -2.49 119.26 123.20 2i9h h ALA 14 Ca -0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2i9h h ALA 14 Cb 1.61 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2i9h h ALA 14 CO 0.06 -0.76 -1.46 0.44 0.00 0.00 0.00 179.25 177.52 2i9h n ILE 15 N -4.38 1.59 -1.51 0.00 -5.35 -1.22 -4.60 119.36 103.90 2i9h n ILE 15 Ca 0.16 -0.18 -0.35 0.00 -0.27 0.00 0.00 62.75 62.12 2i9h n ILE 15 Cb 0.77 -1.97 -0.15 0.00 -1.74 0.00 0.00 39.64 36.55 2i9h n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i9h n ALA 16 N -3.34 0.55 -3.14 -1.28 0.00 -0.94 0.24 120.51 112.60 2i9h n ALA 16 Ca -0.33 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.48 2i9h n ALA 16 Cb 0.77 -2.45 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 7.84 -1.45 -2.29 0.00 1.13 -1.26 -4.63 117.38 116.72 2i9h n GLN 17 Ca 0.62 1.43 -0.02 0.00 -1.94 0.00 0.00 57.00 57.10 2i9h n GLN 17 Cb 0.13 -2.48 0.08 0.00 0.11 0.00 0.00 30.24 28.09 2i9h n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2i9h n ASP 18 N 0.71 -1.00 0.00 1.08 2.03 -1.17 -4.85 116.55 113.35 2i9h n ASP 18 Ca -0.01 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.49 2i9h n ASP 18 Cb 0.44 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -0.94 0.00 -3.44 -0.67 4.01 -1.26 -4.54 118.16 111.31 2i9h n LYS 19 Ca -0.12 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.28 2i9h n LYS 19 Cb 0.74 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.17 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2i9h s LEU 20 N 0.00 4.42 -0.16 -0.35 2.96 -1.26 -3.05 118.68 121.25 2i9h s LEU 20 Ca 0.00 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 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 -0.29 0.08 -0.69 -1.32 0.00 0.00 176.35 174.13 2i9h s VAL 21 N 1.93 4.98 -0.49 1.68 1.01 -0.99 -2.69 120.40 125.83 2i9h s VAL 21 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 2i9h s VAL 21 Cb -0.17 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.09 2i9h s VAL 21 CO 0.11 0.52 0.43 -0.69 0.00 0.00 0.00 175.10 175.46 2i9h s VAL 22 N -0.15 5.18 -0.16 2.92 1.01 0.25 -3.23 120.40 126.22 2i9h s VAL 22 Ca 0.08 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2i9h s VAL 22 Cb -0.12 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2i9h s VAL 22 CO 0.01 -0.68 -0.11 -0.69 0.00 0.00 0.00 175.10 173.63 2i9h s VAL 23 N 1.62 3.07 -0.16 2.92 1.01 -0.89 -0.72 120.40 127.25 2i9h s VAL 23 Ca 0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 2i9h s VAL 23 Cb -0.26 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2i9h s VAL 23 CO 0.05 0.50 0.15 -0.62 0.00 0.00 0.00 175.10 175.17 2i9h s ASP 24 N 0.74 6.32 -0.77 3.32 2.15 -1.20 -1.15 116.67 126.08 2i9h s ASP 24 Ca -0.05 0.37 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 2i9h s ASP 24 Cb -0.15 -2.09 0.36 0.00 -0.30 0.00 0.00 42.92 40.75 2i9h s ASP 24 CO 0.02 0.30 2.07 0.49 -0.17 0.00 0.00 175.17 177.87 2i9h n PHE 25 N 2.72 2.97 -1.52 -5.34 3.01 -0.56 0.15 117.46 118.89 2i9h n PHE 25 Ca -0.18 -2.51 -0.45 0.00 1.01 0.00 0.00 57.45 55.32 2i9h n PHE 25 Cb 0.54 -1.28 -0.01 0.00 -0.01 0.00 0.00 39.48 38.71 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 -0.58 0.53 -2.23 1.38 0.18 -1.25 -4.29 117.16 110.90 2i9h n TYR 26 Ca 0.56 0.75 -0.41 0.00 1.88 0.00 0.00 57.90 60.68 2i9h n TYR 26 Cb 0.38 -2.13 -0.03 0.00 -0.38 0.00 0.00 39.34 37.18 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 -1.12 3.52 0.47 -3.48 0.00 -1.26 -3.46 121.76 116.43 2i9h s ALA 27 Ca 0.61 1.09 0.40 0.00 0.00 0.00 0.00 51.96 54.06 2i9h s ALA 27 Cb -0.74 -3.48 2.01 0.00 0.00 0.00 0.00 23.12 20.91 2i9h s ALA 27 CO 0.59 -0.54 2.23 0.00 0.00 0.00 0.00 175.76 178.04 2i9h h THR 28 N 3.85 0.05 0.00 0.00 1.03 -1.90 -3.41 112.91 112.54 2i9h h THR 28 Ca -0.44 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 2i9h h THR 28 Cb 1.21 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2i9h h THR 28 CO 0.79 0.01 0.00 -2.67 -0.01 0.00 0.00 175.52 173.63 2i9h n TRP 29 N -3.14 0.00 0.00 0.00 4.27 -1.26 -4.85 117.44 112.46 2i9h n TRP 29 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 2i9h n TRP 29 Cb 0.16 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 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 0.13 0.00 0.00 0.00 -1.26 -4.93 105.19 99.13 2i9h n GLY 31 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.12 -0.27 1.61 -0.04 -1.26 -3.39 135.00 131.76 2i9h n PRO 32 Ca 0.00 0.22 0.23 0.00 -0.04 0.00 0.00 63.50 63.91 2i9h n PRO 32 Cb 0.00 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.52 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9h n LYS 34 N -4.49 0.41 -0.01 0.00 4.76 -1.22 -2.88 118.16 114.74 2i9h n LYS 34 Ca 0.22 0.04 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 2i9h n LYS 34 Cb 0.85 -1.50 0.65 0.00 -1.84 0.00 0.00 35.03 33.18 2i9h n LYS 34 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2i9h n MET 35 N -1.25 1.08 0.07 1.97 1.56 0.31 -3.18 117.12 117.68 2i9h n MET 35 Ca 0.13 -0.11 0.12 0.00 -0.27 0.00 0.00 57.70 57.57 2i9h n MET 35 Cb 0.19 -1.36 0.22 0.00 2.15 0.00 0.00 33.22 34.42 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 -0.73 0.42 -0.30 1.12 5.41 -1.14 -4.09 119.36 120.04 2i9h n ILE 36 Ca 0.17 -0.28 0.06 0.00 1.00 0.00 0.00 62.75 63.69 2i9h n ILE 36 Cb 0.11 -0.24 0.21 0.00 -0.71 0.00 0.00 39.64 39.00 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 2.50 1.28 -0.28 -1.39 0.00 -1.81 0.19 119.26 119.76 2i9h h ALA 37 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2i9h h ALA 37 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2i9h h ALA 37 CO 0.00 0.03 -0.45 -1.00 0.00 0.00 0.00 179.25 177.84 2i9h h PRO 38 N 0.75 0.79 0.43 0.00 0.13 -1.86 -2.90 132.00 129.34 2i9h h PRO 38 Ca 0.44 -0.48 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2i9h h PRO 38 Cb 0.52 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2i9h h PRO 38 CO -0.30 1.11 -0.21 0.52 -0.23 0.00 0.00 178.00 178.89 2i9h h MET 39 N 0.55 -0.55 -1.01 0.86 2.86 -1.63 -1.95 114.93 114.06 2i9h h MET 39 Ca 0.02 0.04 0.29 0.00 -2.06 0.00 0.00 59.70 57.99 2i9h h MET 39 Cb 1.05 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 2i9h h MET 39 CO 0.10 -0.29 0.85 0.82 1.06 0.00 0.00 176.91 179.45 2i9h h ILE 40 N -0.73 0.30 0.07 -1.22 2.04 -0.69 0.88 117.51 118.17 2i9h h ILE 40 Ca -0.06 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.55 2i9h h ILE 40 Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2i9h h ILE 40 CO 0.10 0.00 -1.13 -0.08 0.00 0.00 0.00 178.15 177.04 2i9h h GLU 41 N 0.00 0.18 0.00 2.37 4.81 -1.18 -3.23 114.58 117.53 2i9h h GLU 41 Ca 0.48 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2i9h h GLU 41 Cb 2.17 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.66 2i9h h GLU 41 CO -0.01 1.13 -0.06 0.87 -0.73 0.00 0.00 179.01 180.21 2i9h h LYS 42 N 0.05 0.00 0.00 1.92 1.57 0.15 -2.35 116.57 117.91 2i9h h LYS 42 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2i9h h LYS 42 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2i9h h LYS 42 CO 0.17 0.06 -0.91 1.19 -0.57 0.00 0.00 179.45 179.40 2i9h n PHE 43 N -3.30 0.79 0.94 -1.35 3.01 -1.06 -3.78 117.46 112.71 2i9h n PHE 43 Ca -0.01 0.23 0.10 0.00 1.01 0.00 0.00 57.45 58.79 2i9h n PHE 43 Cb 0.25 -0.83 0.52 0.00 -0.01 0.00 0.00 39.48 39.41 2i9h n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i9h n SER 44 N -2.46 0.00 0.00 4.37 2.88 -0.89 -2.42 113.62 115.11 2i9h n SER 44 Ca 0.01 0.12 -0.05 0.00 -1.33 0.00 0.00 58.87 57.62 2i9h n SER 44 Cb 0.51 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.51 2i9h n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2i9h n GLU 45 N -1.34 0.63 0.00 -1.46 1.02 -1.25 -2.94 120.64 115.30 2i9h n GLU 45 Ca 0.09 0.27 -0.04 0.00 -0.02 0.00 0.00 57.16 57.46 2i9h n GLU 45 Cb 0.19 -1.80 -0.11 0.00 -0.02 0.00 0.00 31.44 29.70 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i9h n GLN 46 N -2.98 0.63 -2.32 3.49 6.02 -1.11 -4.35 117.38 116.77 2i9h n GLN 46 Ca -0.13 0.25 -0.22 0.00 -0.01 0.00 0.00 57.00 56.89 2i9h n GLN 46 Cb 0.95 -1.79 0.02 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.95 2.72 -0.62 1.08 4.01 -1.01 -4.89 117.16 115.50 2i9h n TYR 47 Ca -0.13 -2.58 0.48 0.00 -0.16 0.00 0.00 57.90 55.50 2i9h n TYR 47 Cb 0.94 -0.24 0.75 0.00 -0.31 0.00 0.00 39.34 40.48 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 -0.57 -0.01 -0.09 -0.72 -0.02 -1.15 0.14 135.00 132.59 2i9h n PRO 48 Ca 0.36 1.10 0.01 0.00 -2.02 0.00 0.00 63.50 62.94 2i9h n PRO 48 Cb 0.83 -2.41 0.30 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 0.72 -6.22 -0.52 4.20 -1.90 -3.42 115.11 107.97 2i9h h GLN 49 Ca 0.89 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 58.94 2i9h h GLN 49 Cb 3.39 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 30.98 2i9h h GLN 49 CO -0.14 0.56 -0.07 0.00 -0.67 0.00 0.00 178.83 178.51 2i9h s ALA 50 N -5.41 3.60 -0.14 3.87 0.00 0.38 -4.74 121.76 119.33 2i9h s ALA 50 Ca -0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 2i9h s ALA 50 Cb 0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 2i9h s ALA 50 CO 0.77 0.42 0.58 -0.51 0.00 0.00 0.00 175.76 177.02 2i9h s ASP 51 N -1.21 6.74 -0.82 0.00 1.01 -1.10 -4.91 116.67 116.38 2i9h s ASP 51 Ca 0.30 0.89 -0.12 0.00 0.71 0.00 0.00 52.55 54.33 2i9h s ASP 51 Cb -0.18 -2.33 0.22 0.00 1.01 0.00 0.00 42.92 41.63 2i9h s ASP 51 CO 0.18 -0.13 0.75 -0.36 0.21 0.00 0.00 175.17 175.82 2i9h s PHE 52 N 1.18 3.76 0.29 4.23 0.40 -1.26 0.88 117.98 127.45 2i9h s PHE 52 Ca 0.29 -2.19 0.04 0.00 -0.60 0.00 0.00 56.93 54.46 2i9h s PHE 52 Cb -0.16 -3.71 0.05 0.00 0.51 0.00 0.00 43.02 39.71 2i9h s PHE 52 CO 0.12 -0.96 0.40 0.66 0.70 0.00 0.00 175.22 176.14 2i9h n TYR 53 N 3.74 -2.78 -3.74 0.36 4.01 0.10 -3.43 117.16 115.43 2i9h n TYR 53 Ca 0.14 -0.96 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 2i9h n TYR 53 Cb 0.45 -0.28 -0.11 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 -3.33 0.41 0.06 -0.72 1.02 0.32 -3.26 119.74 114.24 2i9h s LYS 54 Ca 0.29 0.56 -0.16 0.00 0.02 0.00 0.00 55.97 56.68 2i9h s LYS 54 Cb -0.02 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 2i9h s LYS 54 CO 0.19 -0.07 0.48 -1.17 -0.92 0.00 0.00 175.35 173.86 2i9h s LEU 55 N 0.45 4.46 -0.38 3.17 1.98 0.39 0.10 118.68 128.85 2i9h s LEU 55 Ca -0.02 1.06 -0.16 0.00 -2.89 0.00 0.00 54.13 52.13 2i9h s LEU 55 Cb -0.04 -2.84 0.00 0.00 0.66 0.00 0.00 46.19 43.97 2i9h s LEU 55 CO -0.02 0.26 0.36 -0.62 -1.89 0.00 0.00 176.35 174.44 2i9h s ASP 56 N -1.27 6.16 0.00 3.68 2.15 -1.15 -3.90 116.67 122.35 2i9h s ASP 56 Ca 0.29 -0.49 0.27 0.00 0.43 0.00 0.00 52.55 53.05 2i9h s ASP 56 Cb -0.17 -2.19 1.44 0.00 -0.30 0.00 0.00 42.92 41.70 2i9h s ASP 56 CO 0.17 -0.42 1.95 0.52 -0.17 0.00 0.00 175.17 177.21 2i9h n VAL 57 N 5.28 0.09 -0.07 1.11 0.31 -1.23 0.12 118.33 123.95 2i9h n VAL 57 Ca -0.09 0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.12 2i9h n VAL 57 Cb 0.48 -0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.70 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 1.23 -0.12 4.52 2.03 -1.26 -3.57 116.55 118.15 2i9h n ASP 58 Ca 0.15 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.34 2i9h n ASP 58 Cb 0.19 -0.06 -0.09 0.00 -0.72 0.00 0.00 41.12 40.44 2i9h n ASP 58 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2i9h n GLU 59 N -3.12 0.54 -1.29 -0.67 4.07 -1.16 -4.54 120.64 114.46 2i9h n GLU 59 Ca -0.33 0.19 -0.27 0.00 -0.06 0.00 0.00 57.16 56.70 2i9h n GLU 59 Cb 1.06 -1.40 0.13 0.00 -0.06 0.00 0.00 31.44 31.17 2i9h n GLU 59 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2i9h n LEU 60 N -3.77 6.85 0.08 4.31 4.32 0.33 -4.66 117.00 124.46 2i9h n LEU 60 Ca -0.45 -4.01 0.21 0.00 -0.02 0.00 0.00 56.01 51.73 2i9h n LEU 60 Cb 0.87 -0.86 0.71 0.00 -1.62 0.00 0.00 43.42 42.53 2i9h n LEU 60 CO 0.10 1.33 1.18 1.23 -1.22 0.00 0.00 177.39 180.01 2i9h h GLY 61 N 1.53 0.00 2.00 -0.72 0.00 -1.57 0.34 103.07 104.66 2i9h h GLY 61 Ca 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 2i9h h GLY 61 CO 1.25 0.00 -0.23 -0.55 0.00 0.00 0.00 176.54 177.01 2i9h h ASP 62 N 0.00 0.00 0.07 0.19 5.19 -1.89 -2.30 116.42 117.69 2i9h h ASP 62 Ca 0.21 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2i9h h ASP 62 Cb 1.27 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2i9h h ASP 62 CO -0.00 0.23 -0.03 0.58 -3.12 0.00 0.00 179.24 176.90 2i9h h VAL 63 N 0.00 1.22 -0.61 -1.35 2.07 -0.67 0.44 116.25 117.35 2i9h h VAL 63 Ca -0.00 -1.45 0.18 0.00 0.82 0.00 0.00 66.70 66.25 2i9h h VAL 63 Cb 0.41 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2i9h h VAL 63 CO 0.03 0.34 0.45 0.00 0.02 0.00 0.00 177.57 178.40 2i9h h ALA 64 N -0.01 2.57 0.00 1.67 0.00 -1.53 0.17 119.26 122.13 2i9h h ALA 64 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2i9h h ALA 64 Cb 0.62 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2i9h h ALA 64 CO 0.01 -0.76 -1.59 0.94 0.00 0.00 0.00 179.25 177.85 2i9h n GLN 65 N -4.33 0.63 0.03 0.00 7.27 -0.87 0.11 117.38 120.22 2i9h n GLN 65 Ca 0.12 0.27 -0.13 0.00 0.07 0.00 0.00 57.00 57.33 2i9h n GLN 65 Cb 0.69 -1.80 -0.09 0.00 2.41 0.00 0.00 30.24 31.46 2i9h n GLN 65 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2i9h h LYS 66 N 0.00 -0.06 0.00 3.69 1.63 0.26 -2.55 116.57 119.54 2i9h h LYS 66 Ca -0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2i9h h LYS 66 Cb 1.84 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 2i9h h LYS 66 CO 0.07 0.25 0.00 0.09 -3.45 0.00 0.00 179.45 176.40 2i9h n ASN 67 N -4.97 0.00 -3.19 4.20 3.02 -0.16 -4.89 115.26 109.27 2i9h n ASN 67 Ca -0.08 -1.03 -0.20 0.00 -0.03 0.00 0.00 54.58 53.24 2i9h n ASN 67 Cb 0.18 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.98 -6.89 -2.40 3.52 -0.58 -0.96 -4.93 120.64 107.42 2i9h n GLU 68 Ca 0.23 0.72 -0.35 0.00 -0.42 0.00 0.00 57.16 57.34 2i9h n GLU 68 Cb 0.10 -5.45 0.01 0.00 -0.57 0.00 0.00 31.44 25.54 2i9h n GLU 68 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2i9h n VAL 69 N -4.63 3.89 0.56 2.62 0.31 0.31 -4.71 118.33 116.68 2i9h n VAL 69 Ca -0.01 -5.09 0.12 0.00 -0.01 0.00 0.00 64.34 59.35 2i9h n VAL 69 Cb 0.56 -1.35 0.45 0.00 -0.91 0.00 0.00 33.84 32.59 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 -0.36 0.51 -3.55 4.52 3.41 -1.22 -3.90 113.62 113.03 2i9h n SER 70 Ca 0.45 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 59.25 2i9h n SER 70 Cb 0.36 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.70 6.55 -2.15 7.33 0.00 -1.26 -4.97 120.51 124.32 2i9h n ALA 71 Ca 0.04 -4.06 -0.25 0.00 0.00 0.00 0.00 53.44 49.17 2i9h n ALA 71 Cb 0.29 -2.92 0.03 0.00 0.00 0.00 0.00 19.45 16.85 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 -0.26 2.88 0.17 0.00 0.23 -1.25 -4.27 119.30 116.80 2i9h s MET 72 Ca 0.53 -0.29 -0.30 0.00 -1.03 0.00 0.00 55.69 54.60 2i9h s MET 72 Cb 0.16 -2.39 -0.08 0.00 -1.53 0.00 0.00 34.83 30.99 2i9h s MET 72 CO -0.07 -0.58 1.21 -1.25 -2.03 0.00 0.00 175.02 172.30 2i9h s PRO 73 N -4.82 4.48 0.19 3.16 0.04 -1.26 -4.66 135.00 132.12 2i9h s PRO 73 Ca 0.53 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.55 2i9h s PRO 73 Cb -0.10 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2i9h s PRO 73 CO 0.42 -0.12 -0.18 0.99 0.04 0.00 0.00 177.00 178.15 2i9h s THR 74 N 0.08 2.69 -0.28 1.26 2.01 -1.26 -2.77 115.64 117.36 2i9h s THR 74 Ca 0.54 -1.89 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 2i9h s THR 74 Cb -0.33 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 69.88 2i9h s THR 74 CO 0.36 -0.12 0.06 -0.76 -0.69 0.00 0.00 174.62 173.47 2i9h s LEU 75 N -2.75 3.70 -0.18 4.42 1.43 -0.23 -1.50 118.68 123.58 2i9h s LEU 75 Ca 0.23 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2i9h s LEU 75 Cb -0.08 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2i9h s LEU 75 CO 0.12 -0.17 -0.03 -0.76 0.23 0.00 0.00 176.35 175.74 2i9h s LEU 76 N 1.48 3.15 -0.03 1.79 1.43 -0.30 0.97 118.68 127.17 2i9h s LEU 76 Ca 0.03 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2i9h s LEU 76 Cb -0.17 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2i9h s LEU 76 CO 0.01 0.11 -0.05 -0.76 0.23 0.00 0.00 176.35 175.89 2i9h s LEU 77 N 0.74 3.29 -0.05 1.79 1.02 0.13 -2.09 118.68 123.50 2i9h s LEU 77 Ca -0.02 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.08 2i9h s LEU 77 Cb -0.14 -1.81 0.04 0.00 0.02 0.00 0.00 46.19 44.29 2i9h s LEU 77 CO 0.02 0.32 0.10 -0.36 0.02 0.00 0.00 176.35 176.45 2i9h s PHE 78 N -0.94 -0.07 -0.10 0.29 0.08 -1.20 -2.71 117.98 113.33 2i9h s PHE 78 Ca 0.15 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.59 2i9h s PHE 78 Cb -0.11 -0.22 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2i9h s PHE 78 CO 0.05 -0.16 -0.18 0.15 -0.10 0.00 0.00 175.22 174.98 2i9h s LYS 79 N 1.46 3.06 -0.83 0.44 1.02 -0.96 -2.34 119.74 121.59 2i9h s LYS 79 Ca -0.05 -0.77 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 2i9h s LYS 79 Cb -0.12 -2.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2i9h s LYS 79 CO -0.05 0.29 0.66 0.09 -0.92 0.00 0.00 175.35 175.43 2i9h n ASN 80 N 3.27 -6.08 -2.28 2.83 3.02 -1.17 -1.37 115.26 113.47 2i9h n ASN 80 Ca -0.18 -0.62 -0.07 0.00 -0.03 0.00 0.00 54.58 53.68 2i9h n ASN 80 Cb 0.53 -3.32 -0.01 0.00 -0.61 0.00 0.00 39.78 36.37 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i9h n GLY 81 N -1.71 -0.33 0.00 7.41 0.00 0.67 -4.34 105.19 106.89 2i9h n GLY 81 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.49 0.66 -3.72 1.61 5.02 -0.47 -4.65 118.16 114.11 2i9h n LYS 82 Ca -0.08 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.96 2i9h n LYS 82 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 2i9h n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2i9h n GLU 83 N 0.00 0.69 0.00 1.97 2.13 -1.26 -2.26 120.64 121.91 2i9h n GLU 83 Ca 0.00 -3.35 0.00 0.00 0.66 0.00 0.00 57.16 54.47 2i9h n GLU 83 Cb 0.00 0.32 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2i9h n GLU 83 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2i9h n VAL 84 N -1.80 0.00 -3.65 6.31 0.24 -1.10 -3.60 118.33 114.73 2i9h n VAL 84 Ca -0.01 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2i9h n VAL 84 Cb 0.61 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.72 -1.79 -0.12 2.33 0.00 -1.23 -5.04 121.76 114.19 2i9h s ALA 85 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 2i9h s ALA 85 Cb 0.00 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.68 2i9h s ALA 85 CO 0.00 -0.90 0.12 -1.59 0.00 0.00 0.00 175.76 173.39 2i9h s LYS 86 N -3.10 0.04 -0.68 0.00 -2.85 -1.26 -0.70 119.74 111.19 2i9h s LYS 86 Ca 0.10 0.26 0.01 0.00 -1.00 0.00 0.00 55.97 55.35 2i9h s LYS 86 Cb -0.01 -0.95 0.17 0.00 -2.06 0.00 0.00 37.83 34.98 2i9h s LYS 86 CO -0.02 -0.48 0.48 0.08 0.10 0.00 0.00 175.35 175.51 2i9h s VAL 87 N 2.22 3.34 -0.97 1.79 1.01 0.27 -4.95 120.40 123.11 2i9h s VAL 87 Ca 0.04 -3.61 -0.26 0.00 0.00 0.00 0.00 61.98 58.15 2i9h s VAL 87 Cb -0.14 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 2i9h s VAL 87 CO -0.07 -0.94 2.21 0.54 0.00 0.00 0.00 175.10 176.84 2i9h s VAL 88 N -0.78 3.08 0.00 2.92 0.11 -1.26 -1.07 120.40 123.40 2i9h s VAL 88 Ca 0.21 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2i9h s VAL 88 Cb -0.15 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2i9h s VAL 88 CO -0.08 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 2i9h n GLY 89 N 6.43 2.93 2.38 6.54 0.00 -1.12 -4.85 105.19 117.50 2i9h n GLY 89 Ca 0.44 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 6.66 -1.82 4.61 0.00 -1.26 -4.58 120.51 124.12 2i9h n ALA 90 Ca 0.00 -2.97 -0.42 0.00 0.00 0.00 0.00 53.44 50.06 2i9h n ALA 90 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 19.45 16.23 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 2.51 6.50 0.59 0.00 2.47 -1.26 -4.69 114.94 121.05 2i9h s ASN 91 Ca 0.61 2.80 0.31 0.00 0.42 0.00 0.00 52.86 57.01 2i9h s ASN 91 Cb 0.17 -2.62 1.22 0.00 -1.45 0.00 0.00 41.25 38.57 2i9h s ASN 91 CO -0.05 -0.84 1.52 -0.65 -3.72 0.00 0.00 177.10 173.37 2i9h h PRO 92 N 5.34 0.00 -1.84 0.43 0.11 -2.01 0.74 132.00 134.77 2i9h h PRO 92 Ca -0.46 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.02 2i9h h PRO 92 Cb 1.22 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.94 2i9h h PRO 92 CO 0.82 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.33 2i9h n ALA 93 N -2.40 5.29 0.10 -0.75 0.00 -1.26 -4.69 120.51 116.80 2i9h n ALA 93 Ca 0.23 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2i9h n ALA 93 Cb 1.37 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.40 0.00 0.00 0.00 0.00 0.21 -4.91 120.51 115.40 2i9h n ALA 94 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2i9h n ALA 94 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2i9h n ALA 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2i9h n ILE 95 N -2.98 1.44 -0.11 0.00 0.13 -0.93 -0.55 119.36 116.36 2i9h n ILE 95 Ca 0.00 0.49 -0.23 0.00 -1.10 0.00 0.00 62.75 61.91 2i9h n ILE 95 Cb 0.00 -1.49 -0.11 0.00 -0.84 0.00 0.00 39.64 37.20 2i9h n ILE 95 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 2i9h n LYS 96 N -1.36 0.57 0.10 9.51 2.85 -1.26 -4.01 118.16 124.56 2i9h n LYS 96 Ca 0.00 0.51 -0.03 0.00 -1.05 0.00 0.00 58.31 57.74 2i9h n LYS 96 Cb 0.13 -1.69 0.19 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 0.21 -0.75 -1.58 4.20 -1.62 -1.95 115.11 112.62 2i9h h GLN 97 Ca -0.42 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.20 2i9h h GLN 97 Cb 1.35 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 2i9h h GLN 97 CO -0.25 0.66 0.50 0.00 -0.67 0.00 0.00 178.83 179.07 2i9h h ALA 98 N 1.32 1.52 -0.00 3.87 0.00 -1.02 0.29 119.26 125.24 2i9h h ALA 98 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i9h h ALA 98 Cb 0.94 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2i9h h ALA 98 CO 0.08 0.41 -0.44 -0.89 0.00 0.00 0.00 179.25 178.41 2i9h n ILE 99 N -4.44 0.00 -0.05 0.00 -0.00 -1.11 -3.61 119.36 110.15 2i9h n ILE 99 Ca 0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 62.75 62.77 2i9h n ILE 99 Cb 0.09 0.30 -0.01 0.00 -0.00 0.00 0.00 39.64 40.02 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 -1.27 0.34 0.11 -1.39 0.00 -0.36 -2.41 120.51 115.52 2i9h n ALA 100 Ca 0.07 -0.35 0.17 0.00 0.00 0.00 0.00 53.44 53.34 2i9h n ALA 100 Cb 0.34 0.01 0.72 0.00 0.00 0.00 0.00 19.45 20.52 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 -1.25 2.20 0.00 0.00 0.00 -1.21 -3.07 119.26 115.93 2i9h h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i9h h ALA 101 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2i9h h ALA 101 CO 0.00 -0.44 -0.16 -0.91 0.00 0.00 0.00 179.25 177.74 2i9h h ASN 102 N 0.00 0.00 -0.01 0.00 -0.26 -1.74 -3.52 115.58 110.05 2i9h h ASN 102 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2i9h h ASN 102 Cb 0.70 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 2i9h h ASN 102 CO -0.00 0.42 0.00 0.00 -1.06 0.00 0.00 177.43 176.79