#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 -4.19 120.40 118.35 2i9h s VAL 2 Ca 0.00 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 2i9h s VAL 2 Cb 0.00 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2i9h s VAL 2 CO 0.00 0.01 0.31 -0.89 -3.33 0.00 0.00 175.10 171.20 2i9h s THR 3 N 0.49 0.09 0.65 5.04 2.01 -1.20 -5.03 115.64 117.70 2i9h s THR 3 Ca -0.02 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.02 2i9h s THR 3 Cb -0.04 -1.43 0.11 0.00 0.01 0.00 0.00 72.50 71.15 2i9h s THR 3 CO -0.02 -0.41 0.90 -1.10 -0.69 0.00 0.00 174.62 173.29 2i9h s GLN 4 N -3.87 1.96 -0.10 4.92 -0.21 -1.26 0.98 119.66 122.09 2i9h s GLN 4 Ca 0.08 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.06 2i9h s GLN 4 Cb 0.03 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.56 2i9h s GLN 4 CO -0.08 -1.18 -0.17 -0.06 -2.12 0.00 0.00 175.29 171.68 2i9h s PHE 5 N -2.91 2.01 -0.09 0.91 0.08 0.28 -4.69 117.98 113.58 2i9h s PHE 5 Ca 0.64 -0.88 0.12 0.00 0.12 0.00 0.00 56.93 56.93 2i9h s PHE 5 Cb -0.05 -1.42 -0.17 0.00 -0.57 0.00 0.00 43.02 40.81 2i9h s PHE 5 CO 0.42 -0.42 0.12 1.63 -0.10 0.00 0.00 175.22 176.87 2i9h n LYS 6 N 3.94 1.47 -4.17 0.44 4.76 -1.26 -3.08 118.16 120.26 2i9h n LYS 6 Ca -0.20 -0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 54.99 2i9h n LYS 6 Cb 0.52 -1.31 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.50 0.57 0.59 -0.18 -4.23 -1.26 -4.60 115.64 104.02 2i9h s THR 7 Ca -0.06 -0.14 0.29 0.00 -1.18 0.00 0.00 61.69 60.61 2i9h s THR 7 Cb 0.05 -0.59 0.39 0.00 1.34 0.00 0.00 72.50 73.69 2i9h s THR 7 CO 0.52 0.23 1.85 0.00 -0.54 0.00 0.00 174.62 176.68 2i9h h ALA 8 N 7.21 2.27 0.00 3.99 0.00 -1.96 0.55 119.26 131.32 2i9h h ALA 8 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2i9h h ALA 8 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i9h h ALA 8 CO 0.46 -0.82 0.00 1.03 0.00 0.00 0.00 179.25 179.92 2i9h h SER 9 N 0.00 0.00 0.10 0.00 0.87 -1.99 0.37 113.55 112.90 2i9h h SER 9 Ca 0.25 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.46 2i9h h SER 9 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2i9h h SER 9 CO -0.00 0.00 -1.89 -0.62 -0.53 0.00 0.00 176.83 173.79 2i9h n GLU 10 N -2.57 0.73 0.11 2.24 -0.58 0.19 -4.24 120.64 116.52 2i9h n GLU 10 Ca -0.01 0.31 -0.01 0.00 -0.42 0.00 0.00 57.16 57.02 2i9h n GLU 10 Cb 0.08 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.26 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 -0.11 0.00 0.05 -0.32 3.57 -1.44 -3.20 116.94 115.49 2i9h h PHE 11 Ca -0.42 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.11 2i9h h PHE 11 Cb 1.91 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.60 2i9h h PHE 11 CO 0.08 0.70 -0.42 0.22 -2.23 0.00 0.00 178.31 176.66 2i9h h ASP 12 N 0.00 -1.27 0.96 0.41 3.58 -0.46 -1.59 116.42 118.05 2i9h h ASP 12 Ca -0.01 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 2i9h h ASP 12 Cb 1.46 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.99 2i9h h ASP 12 CO 0.09 -0.47 -0.17 -1.28 -2.88 0.00 0.00 179.24 174.53 2i9h h SER 13 N -0.61 0.00 -0.66 2.28 0.87 -1.75 -3.02 113.55 110.67 2i9h h SER 13 Ca 0.04 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2i9h h SER 13 Cb 0.67 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 2i9h h SER 13 CO -0.29 0.17 0.36 0.00 -0.53 0.00 0.00 176.83 176.54 2i9h h ALA 14 N 1.83 0.88 0.00 6.23 0.00 -1.28 -3.15 119.26 123.77 2i9h h ALA 14 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2i9h h ALA 14 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2i9h h ALA 14 CO 0.02 0.03 -0.15 -0.84 0.00 0.00 0.00 179.25 178.31 2i9h h ILE 15 N 0.66 1.70 -0.47 0.00 3.07 -1.48 -3.41 117.51 117.59 2i9h h ILE 15 Ca 0.30 -2.33 -0.53 0.00 1.55 0.00 0.00 64.86 63.84 2i9h h ILE 15 Cb 0.20 3.27 -0.06 0.00 -0.27 0.00 0.00 36.82 39.96 2i9h h ILE 15 CO -0.19 0.58 1.66 0.00 -1.05 0.00 0.00 178.15 179.15 2i9h n ALA 16 N -2.70 0.47 -3.10 0.16 0.00 -1.14 0.30 120.51 114.49 2i9h n ALA 16 Ca -0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 52.92 2i9h n ALA 16 Cb 0.51 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 8.49 -1.13 -2.01 0.00 6.02 -1.26 -4.66 117.38 122.83 2i9h n GLN 17 Ca 0.56 1.28 -0.01 0.00 -0.01 0.00 0.00 57.00 58.82 2i9h n GLN 17 Cb 0.16 -2.11 0.05 0.00 1.02 0.00 0.00 30.24 29.36 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 1.03 -0.64 0.00 1.08 2.03 -1.20 -4.90 116.55 113.95 2i9h n ASP 18 Ca -0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.78 2i9h n ASP 18 Cb 0.40 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 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 -0.64 0.00 -3.46 -0.67 4.01 -1.26 -4.53 118.16 111.61 2i9h n LYS 19 Ca -0.08 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.32 2i9h n LYS 19 Cb 0.66 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.08 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 4.36 -0.16 -0.35 2.96 -1.26 -3.00 118.68 121.23 2i9h s LEU 20 Ca 0.00 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 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 -0.26 0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 2i9h s VAL 21 N 1.92 5.46 -1.00 1.68 1.01 -1.05 -2.54 120.40 125.88 2i9h s VAL 21 Ca 0.10 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2i9h s VAL 21 Cb -0.17 -3.44 0.25 0.00 0.00 0.00 0.00 36.38 33.03 2i9h s VAL 21 CO 0.11 0.53 0.98 -0.69 0.00 0.00 0.00 175.10 176.02 2i9h s VAL 22 N -0.30 5.83 -0.27 2.92 1.01 0.30 -3.38 120.40 126.51 2i9h s VAL 22 Ca 0.11 -3.02 -0.10 0.00 0.00 0.00 0.00 61.98 58.97 2i9h s VAL 22 Cb -0.12 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 2i9h s VAL 22 CO 0.01 -1.13 0.17 -0.69 0.00 0.00 0.00 175.10 173.46 2i9h s VAL 23 N -0.64 5.13 -0.13 2.92 1.01 -1.07 -2.02 120.40 125.60 2i9h s VAL 23 Ca 0.26 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2i9h s VAL 23 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2i9h s VAL 23 CO -0.08 0.27 0.17 -1.81 0.00 0.00 0.00 175.10 173.64 2i9h s ASP 24 N 1.71 6.40 -0.90 3.32 1.11 -1.21 -1.69 116.67 125.41 2i9h s ASP 24 Ca 0.07 0.47 -0.02 0.00 0.18 0.00 0.00 52.55 53.25 2i9h s ASP 24 Cb -0.16 -2.09 0.32 0.00 1.07 0.00 0.00 42.92 42.06 2i9h s ASP 24 CO 0.09 0.35 2.01 0.49 1.18 0.00 0.00 175.17 179.30 2i9h n PHE 25 N 2.29 2.84 -1.64 4.23 3.01 -0.70 0.13 117.46 127.62 2i9h n PHE 25 Ca -0.19 -2.38 -0.45 0.00 1.01 0.00 0.00 57.45 55.44 2i9h n PHE 25 Cb 0.54 -1.22 -0.02 0.00 -0.01 0.00 0.00 39.48 38.77 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 -0.28 1.81 -2.05 1.38 0.18 -1.25 -3.96 117.16 112.98 2i9h n TYR 26 Ca 0.52 0.58 -0.41 0.00 1.88 0.00 0.00 57.90 60.46 2i9h n TYR 26 Cb 0.25 -2.36 -0.02 0.00 -0.38 0.00 0.00 39.34 36.83 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 -0.60 3.61 0.32 -3.48 0.00 -1.26 -3.51 121.76 116.85 2i9h s ALA 27 Ca 0.63 1.29 0.31 0.00 0.00 0.00 0.00 51.96 54.19 2i9h s ALA 27 Cb -0.68 -3.54 1.67 0.00 0.00 0.00 0.00 23.12 20.57 2i9h s ALA 27 CO 0.56 -0.71 1.93 0.00 0.00 0.00 0.00 175.76 177.54 2i9h h THR 28 N 3.58 0.00 0.00 0.00 1.03 -1.90 -3.41 112.91 112.21 2i9h h THR 28 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 2i9h h THR 28 Cb 1.22 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2i9h h THR 28 CO 0.78 0.00 0.00 -2.67 -0.01 0.00 0.00 175.52 173.62 2i9h n TRP 29 N -2.66 0.00 0.00 0.00 4.27 -1.26 -4.90 117.44 112.89 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 0.15 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.10 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 1.27 0.30 0.00 0.00 -1.26 -4.92 105.19 100.58 2i9h n GLY 31 Ca 0.00 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -0.44 1.61 0.13 -1.97 -2.69 132.00 128.64 2i9h h PRO 32 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2i9h h PRO 32 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2i9h h PRO 32 CO 0.00 0.00 0.45 0.00 -0.23 0.00 0.00 178.00 178.22 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.63 -1.81 -3.14 116.57 113.25 2i9h h LYS 34 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2i9h h LYS 34 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2i9h h LYS 34 CO -0.00 0.46 0.00 -1.33 -3.45 0.00 0.00 179.45 175.13 2i9h n MET 35 N -3.23 0.49 0.12 1.90 2.81 0.94 -2.53 117.12 117.61 2i9h n MET 35 Ca 0.02 0.04 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 2i9h n MET 35 Cb 0.71 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.73 2i9h n MET 35 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2i9h h ILE 36 N 0.00 0.36 -0.73 2.02 2.04 -1.60 -3.36 117.51 116.24 2i9h h ILE 36 Ca 0.00 -1.58 0.13 0.00 1.00 0.00 0.00 64.86 64.41 2i9h h ILE 36 Cb 0.07 1.98 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 2i9h h ILE 36 CO 0.00 0.20 0.28 0.00 0.00 0.00 0.00 178.15 178.63 2i9h h ALA 37 N 1.71 1.00 -0.09 1.87 0.00 -1.70 0.59 119.26 122.65 2i9h h ALA 37 Ca -0.05 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2i9h h ALA 37 Cb 1.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2i9h h ALA 37 CO 0.03 -0.22 -0.67 -1.00 0.00 0.00 0.00 179.25 177.39 2i9h h PRO 38 N 0.42 0.37 0.16 0.00 0.13 -1.81 -2.99 132.00 128.28 2i9h h PRO 38 Ca 0.39 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2i9h h PRO 38 Cb 0.59 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2i9h h PRO 38 CO -0.40 0.91 -0.08 1.98 -0.23 0.00 0.00 178.00 180.19 2i9h h MET 39 N 0.26 -0.21 -1.05 0.86 -1.53 -1.38 -2.36 114.93 109.53 2i9h h MET 39 Ca -0.02 0.01 0.30 0.00 -3.44 0.00 0.00 59.70 56.56 2i9h h MET 39 Cb 1.23 0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 32.28 2i9h h MET 39 CO 0.11 0.09 0.79 0.82 0.14 0.00 0.00 176.91 178.87 2i9h h ILE 40 N -0.51 0.41 0.02 1.77 2.04 0.12 0.80 117.51 122.15 2i9h h ILE 40 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.63 2i9h h ILE 40 Cb 0.39 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2i9h h ILE 40 CO 0.04 0.00 -0.93 -0.08 0.00 0.00 0.00 178.15 177.18 2i9h h GLU 41 N 0.00 0.18 0.00 2.37 4.81 -1.29 -3.16 114.58 117.49 2i9h h GLU 41 Ca 0.50 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2i9h h GLU 41 Cb 2.08 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.53 2i9h h GLU 41 CO -0.01 0.99 0.00 0.87 -0.73 0.00 0.00 179.01 180.13 2i9h h LYS 42 N 0.09 0.00 0.00 1.92 1.57 0.11 -2.65 116.57 117.62 2i9h h LYS 42 Ca -0.05 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 2i9h h LYS 42 Cb 1.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.86 2i9h h LYS 42 CO 0.14 0.00 -1.48 1.19 -0.57 0.00 0.00 179.45 178.73 2i9h n PHE 43 N -3.03 0.99 0.21 -1.35 3.01 -1.10 -3.88 117.46 112.31 2i9h n PHE 43 Ca -0.01 0.34 0.14 0.00 1.01 0.00 0.00 57.45 58.93 2i9h n PHE 43 Cb 0.22 -1.11 0.75 0.00 -0.01 0.00 0.00 39.48 39.33 2i9h n PHE 43 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2i9h h SER 44 N 0.00 0.00 1.36 4.37 0.02 -1.47 0.15 113.55 117.98 2i9h h SER 44 Ca -0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2i9h h SER 44 Cb 1.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.21 2i9h h SER 44 CO 0.05 0.00 -0.64 -0.33 -1.14 0.00 0.00 176.83 174.77 2i9h h GLU 45 N 0.00 0.00 0.09 3.45 5.08 -1.68 -2.27 114.58 119.25 2i9h h GLU 45 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2i9h h GLU 45 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2i9h h GLU 45 CO 0.00 0.02 -1.94 1.04 -1.00 0.00 0.00 179.01 177.14 2i9h n GLN 46 N -2.85 0.72 -2.17 2.33 1.13 0.46 -4.44 117.38 112.56 2i9h n GLN 46 Ca 0.01 0.27 -0.22 0.00 -1.94 0.00 0.00 57.00 55.12 2i9h n GLN 46 Cb 0.56 -1.73 0.02 0.00 0.11 0.00 0.00 30.24 29.20 2i9h n GLN 46 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2i9h n TYR 47 N -3.36 2.64 -0.42 1.08 4.01 -0.78 -4.89 117.16 115.44 2i9h n TYR 47 Ca -0.28 -2.32 0.34 0.00 -0.16 0.00 0.00 57.90 55.48 2i9h n TYR 47 Cb 1.05 -0.30 0.55 0.00 -0.31 0.00 0.00 39.34 40.33 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 -0.66 -0.02 -0.21 -0.72 -0.02 -0.85 0.17 135.00 132.68 2i9h n PRO 48 Ca 0.39 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.83 2i9h n PRO 48 Cb 0.92 -1.87 0.33 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.78 -6.29 -0.52 1.08 -1.90 -3.41 115.11 104.85 2i9h h GLN 49 Ca 0.68 -0.05 -0.56 0.00 -1.45 0.00 0.00 58.65 57.27 2i9h h GLN 49 Cb 2.39 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 29.61 2i9h h GLN 49 CO -0.23 0.52 -0.06 0.00 -0.95 0.00 0.00 178.83 178.10 2i9h s ALA 50 N -5.72 3.58 -0.22 3.87 0.00 0.44 -4.74 121.76 118.96 2i9h s ALA 50 Ca -0.10 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 2i9h s ALA 50 Cb 0.20 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2i9h s ALA 50 CO 0.78 0.43 0.62 -0.51 0.00 0.00 0.00 175.76 177.08 2i9h s ASP 51 N -1.48 6.62 -1.00 0.00 1.11 -1.05 -4.90 116.67 115.97 2i9h s ASP 51 Ca 0.34 0.76 -0.14 0.00 0.18 0.00 0.00 52.55 53.69 2i9h s ASP 51 Cb -0.17 -2.34 0.20 0.00 1.07 0.00 0.00 42.92 41.69 2i9h s ASP 51 CO 0.19 -0.31 1.07 -0.36 1.18 0.00 0.00 175.17 176.94 2i9h s PHE 52 N 2.17 3.66 0.44 4.23 0.40 -1.26 0.11 117.98 127.73 2i9h s PHE 52 Ca 0.27 -2.03 0.05 0.00 -0.60 0.00 0.00 56.93 54.62 2i9h s PHE 52 Cb -0.16 -4.04 0.08 0.00 0.51 0.00 0.00 43.02 39.41 2i9h s PHE 52 CO 0.09 -1.19 0.61 0.66 0.70 0.00 0.00 175.22 176.09 2i9h n TYR 53 N 4.68 -2.66 -3.73 0.36 4.01 -0.86 -3.24 117.16 115.72 2i9h n TYR 53 Ca 0.23 -1.43 -0.12 0.00 -0.16 0.00 0.00 57.90 56.42 2i9h n TYR 53 Cb 0.45 -0.43 -0.11 0.00 -0.31 0.00 0.00 39.34 38.94 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 -4.00 0.39 0.00 -0.72 1.02 0.28 -3.30 119.74 113.41 2i9h s LYS 54 Ca 0.44 0.58 -0.15 0.00 0.02 0.00 0.00 55.97 56.86 2i9h s LYS 54 Cb -0.03 0.11 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 2i9h s LYS 54 CO 0.29 -0.09 0.42 -1.17 -0.92 0.00 0.00 175.35 173.87 2i9h s LEU 55 N 0.64 4.48 -0.39 3.17 1.98 0.34 0.10 118.68 129.01 2i9h s LEU 55 Ca -0.04 0.98 -0.18 0.00 -2.89 0.00 0.00 54.13 52.01 2i9h s LEU 55 Cb -0.05 -2.61 0.01 0.00 0.66 0.00 0.00 46.19 44.20 2i9h s LEU 55 CO -0.04 0.32 0.47 -0.62 -1.89 0.00 0.00 176.35 174.59 2i9h s ASP 56 N -1.07 6.24 0.00 3.68 -1.08 -1.18 -3.82 116.67 119.44 2i9h s ASP 56 Ca 0.24 -0.35 0.20 0.00 -0.52 0.00 0.00 52.55 52.12 2i9h s ASP 56 Cb -0.17 -2.24 0.93 0.00 -1.46 0.00 0.00 42.92 39.98 2i9h s ASP 56 CO 0.14 -0.53 1.62 0.52 0.52 0.00 0.00 175.17 177.44 2i9h n VAL 57 N 5.45 0.50 -0.09 1.11 0.31 -1.23 -0.85 118.33 123.54 2i9h n VAL 57 Ca -0.06 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.31 2i9h n VAL 57 Cb 0.48 -0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 32.59 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 -1.37 1.91 0.08 4.52 -0.08 -1.26 -3.68 116.55 116.67 2i9h n ASP 58 Ca 0.08 0.40 -0.01 0.00 -1.51 0.00 0.00 54.79 53.75 2i9h n ASP 58 Cb 0.18 -0.77 0.25 0.00 2.34 0.00 0.00 41.12 43.12 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 0.30 -2.16 -0.67 4.57 -1.89 -3.25 114.58 110.48 2i9h h GLU 59 Ca -0.01 -0.12 -0.59 0.00 -1.18 0.00 0.00 59.36 57.46 2i9h h GLU 59 Cb 0.89 -0.02 -0.42 0.00 -0.16 0.00 0.00 28.75 29.04 2i9h h GLU 59 CO -0.01 0.59 -0.66 1.28 -1.18 0.00 0.00 179.01 179.03 2i9h n LEU 60 N -4.10 4.53 0.16 1.64 4.32 -0.03 -4.84 117.00 118.68 2i9h n LEU 60 Ca -0.01 -5.61 0.12 0.00 -0.02 0.00 0.00 56.01 50.49 2i9h n LEU 60 Cb 0.42 -0.54 0.59 0.00 -1.62 0.00 0.00 43.42 42.26 2i9h n LEU 60 CO 0.41 2.34 0.87 1.23 -1.22 0.00 0.00 177.39 181.02 2i9h h GLY 61 N 2.91 0.00 2.00 -0.72 0.00 -1.63 -1.90 103.07 103.73 2i9h h GLY 61 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 2i9h h GLY 61 CO 0.82 0.00 -0.67 -0.55 0.00 0.00 0.00 176.54 176.15 2i9h h ASP 62 N 0.00 0.00 0.02 0.19 5.19 -1.89 -3.02 116.42 116.90 2i9h h ASP 62 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2i9h h ASP 62 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2i9h h ASP 62 CO 0.00 0.67 -0.01 0.58 -3.12 0.00 0.00 179.24 177.36 2i9h h VAL 63 N 0.00 1.45 -0.09 -1.35 2.07 -1.71 0.19 116.25 116.82 2i9h h VAL 63 Ca -0.01 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 65.65 2i9h h VAL 63 Cb 1.46 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.87 2i9h h VAL 63 CO 0.09 0.46 0.16 0.00 0.02 0.00 0.00 177.57 178.29 2i9h h ALA 64 N -0.05 1.50 0.10 1.67 0.00 -1.67 -0.95 119.26 119.86 2i9h h ALA 64 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2i9h h ALA 64 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2i9h h ALA 64 CO 0.00 -0.21 -1.94 0.94 0.00 0.00 0.00 179.25 178.05 2i9h n GLN 65 N -3.47 0.74 -0.02 0.00 7.27 -1.14 0.12 117.38 120.87 2i9h n GLN 65 Ca -0.01 0.27 -0.10 0.00 0.07 0.00 0.00 57.00 57.23 2i9h n GLN 65 Cb 0.25 -1.73 -0.04 0.00 2.41 0.00 0.00 30.24 31.13 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 0.20 0.00 3.69 2.10 0.70 -0.94 116.57 122.38 2i9h h LYS 66 Ca -0.40 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 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 0.13 0.00 0.09 -2.00 0.00 0.00 179.45 177.76 2i9h n ASN 67 N -4.99 0.00 -2.62 7.07 3.02 -0.70 -4.90 115.26 112.13 2i9h n ASN 67 Ca -0.04 -0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.35 2i9h n ASN 67 Cb 0.03 -0.32 0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.32 -5.22 -3.57 3.52 1.02 -0.36 -4.98 120.64 109.75 2i9h n GLU 68 Ca 0.12 0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 57.47 2i9h n GLU 68 Cb 0.23 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 26.79 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 -3.94 3.18 0.73 2.62 0.31 0.33 -4.83 118.33 116.72 2i9h n VAL 69 Ca -0.04 -5.20 0.06 0.00 -0.01 0.00 0.00 64.34 59.15 2i9h n VAL 69 Cb 0.56 -2.33 0.17 0.00 -0.91 0.00 0.00 33.84 31.33 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 2.09 2.14 -3.93 4.52 3.41 -1.26 -4.70 113.62 115.90 2i9h n SER 70 Ca 0.23 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2i9h n SER 70 Cb 0.37 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.64 0.00 -2.72 7.33 0.00 -1.26 -4.99 120.51 119.51 2i9h n ALA 71 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2i9h n ALA 71 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 0.15 0.00 0.00 0.23 -1.26 -4.33 119.30 114.09 2i9h s MET 72 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 55.69 54.58 2i9h s MET 72 Cb 0.00 0.01 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 2i9h s MET 72 CO 0.00 -0.20 0.00 -0.35 -2.03 0.00 0.00 175.02 172.44 2i9h n PRO 73 N 3.32 2.85 -3.79 3.16 -0.04 -1.26 -4.84 135.00 134.40 2i9h n PRO 73 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2i9h n PRO 73 Cb 0.64 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 1.84 0.10 -0.14 0.52 2.01 -1.25 -4.05 115.64 114.67 2i9h s THR 74 Ca 0.00 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2i9h s THR 74 Cb 0.00 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.14 2i9h s THR 74 CO 0.00 -0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.54 2i9h s LEU 75 N -2.86 1.95 -0.12 4.42 1.43 -1.15 -1.73 118.68 120.63 2i9h s LEU 75 Ca 0.07 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2i9h s LEU 75 Cb 0.03 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.95 2i9h s LEU 75 CO -0.09 0.04 -0.17 -0.76 0.23 0.00 0.00 176.35 175.59 2i9h s LEU 76 N 0.99 1.84 -0.10 1.79 1.43 -0.69 -2.27 118.68 121.67 2i9h s LEU 76 Ca -0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2i9h s LEU 76 Cb -0.15 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2i9h s LEU 76 CO -0.04 0.04 -0.05 -0.76 0.23 0.00 0.00 176.35 175.77 2i9h s LEU 77 N 0.91 3.22 -0.05 1.79 1.02 -0.94 -2.60 118.68 122.04 2i9h s LEU 77 Ca -0.07 -0.05 -0.00 0.00 0.02 0.00 0.00 54.13 54.02 2i9h s LEU 77 Cb -0.15 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.36 2i9h s LEU 77 CO -0.01 0.29 0.01 -0.36 0.02 0.00 0.00 176.35 176.30 2i9h s PHE 78 N -0.40 0.42 -0.13 0.29 0.08 -1.22 -1.38 117.98 115.65 2i9h s PHE 78 Ca 0.06 -0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 2i9h s PHE 78 Cb -0.12 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2i9h s PHE 78 CO 0.02 -0.21 -0.10 0.15 -0.10 0.00 0.00 175.22 174.98 2i9h s LYS 79 N 1.50 3.38 -1.27 0.44 1.02 -1.21 -2.51 119.74 121.07 2i9h s LYS 79 Ca -0.03 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 2i9h s LYS 79 Cb -0.13 -2.69 -0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2i9h s LYS 79 CO -0.03 0.28 0.61 0.09 -0.92 0.00 0.00 175.35 175.38 2i9h n ASN 80 N 3.37 -2.74 -1.18 2.83 4.13 -1.16 -0.28 115.26 120.23 2i9h n ASN 80 Ca -0.18 -1.02 -0.15 0.00 1.68 0.00 0.00 54.58 54.92 2i9h n ASN 80 Cb 0.53 -3.19 -0.06 0.00 -1.54 0.00 0.00 39.78 35.51 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 -1.83 1.39 0.00 7.41 0.00 0.87 -4.02 105.19 109.01 2i9h n GLY 81 Ca -0.21 0.00 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 -1.50 3.92 -3.74 1.61 4.76 0.61 -4.67 118.16 119.15 2i9h n LYS 82 Ca -0.15 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.06 2i9h n LYS 82 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.75 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 2.06 2.39 0.20 1.97 2.12 -1.26 -3.35 118.70 122.83 2i9h s GLU 83 Ca 0.00 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.59 2i9h s GLU 83 Cb 0.00 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2i9h s GLU 83 CO 0.00 -0.32 0.00 0.28 -0.54 0.00 0.00 175.26 174.68 2i9h n VAL 84 N -1.58 0.00 -3.59 3.70 0.31 -0.48 -3.55 118.33 113.14 2i9h n VAL 84 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 2i9h n VAL 84 Cb 0.63 -0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 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 -1.85 -1.96 -0.18 3.52 0.00 -1.22 -5.01 121.76 115.07 2i9h s ALA 85 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.59 2i9h s ALA 85 Cb 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2i9h s ALA 85 CO 0.00 -0.30 -0.19 -1.59 0.00 0.00 0.00 175.76 173.68 2i9h s LYS 86 N -1.11 3.03 -0.33 0.00 -2.85 -1.26 -2.22 119.74 115.00 2i9h s LYS 86 Ca -0.00 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.16 2i9h s LYS 86 Cb -0.01 -2.60 0.14 0.00 -2.06 0.00 0.00 37.83 33.30 2i9h s LYS 86 CO 0.00 -0.20 0.29 0.08 0.10 0.00 0.00 175.35 175.63 2i9h s VAL 87 N 1.28 -0.25 -0.48 1.79 1.01 -0.96 -5.05 120.40 117.73 2i9h s VAL 87 Ca 0.04 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2i9h s VAL 87 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2i9h s VAL 87 CO -0.12 -0.63 2.12 0.54 0.00 0.00 0.00 175.10 177.02 2i9h s VAL 88 N 1.78 3.19 0.00 2.92 0.11 -1.26 -2.91 120.40 124.23 2i9h s VAL 88 Ca 0.13 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2i9h s VAL 88 Cb -0.16 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2i9h s VAL 88 CO -0.17 -0.38 0.00 0.61 -3.33 0.00 0.00 175.10 171.83 2i9h n GLY 89 N 5.80 2.52 2.12 6.54 0.00 -1.26 -4.88 105.19 116.03 2i9h n GLY 89 Ca 0.28 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 5.65 -1.76 4.61 0.00 -1.26 -4.44 120.51 123.30 2i9h n ALA 90 Ca 0.00 -2.69 -0.39 0.00 0.00 0.00 0.00 53.44 50.36 2i9h n ALA 90 Cb 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2i9h n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i9h s ASN 91 N -1.05 7.54 -0.80 0.00 2.20 -1.26 -4.75 114.94 116.83 2i9h s ASN 91 Ca 0.51 1.91 -0.14 0.00 -0.94 0.00 0.00 52.86 54.20 2i9h s ASN 91 Cb 0.41 -2.60 -0.23 0.00 -2.00 0.00 0.00 41.25 36.83 2i9h s ASN 91 CO 0.02 0.08 2.04 -2.65 -2.94 0.00 0.00 177.10 173.66 2i9h n PRO 92 N 1.17 0.16 0.00 3.55 -0.02 -1.26 -2.89 135.00 135.70 2i9h n PRO 92 Ca -0.01 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 2i9h n PRO 92 Cb 0.48 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 10.08 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 127.88 2i9h n ALA 93 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2i9h n ALA 93 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.43 2.08 0.29 0.00 0.00 -1.14 -4.56 120.51 116.74 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 0.36 0.56 0.00 0.00 0.00 0.00 19.45 20.36 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 1.04 117.51 122.86 2i9h h ILE 95 Ca 0.00 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 2i9h h ILE 95 Cb 0.72 0.45 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 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 -2.59 0.57 0.11 2.19 2.85 -1.26 -3.81 118.16 116.22 2i9h n LYS 96 Ca -0.01 0.54 -0.03 0.00 -1.05 0.00 0.00 58.31 57.75 2i9h n LYS 96 Cb 0.47 -1.71 0.18 0.00 -0.65 0.00 0.00 35.03 33.32 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 0.16 -0.20 -1.58 4.20 -1.43 -2.56 115.11 112.70 2i9h h GLN 97 Ca -0.39 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2i9h h GLN 97 Cb 1.33 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2i9h h GLN 97 CO -0.24 0.66 -0.02 0.00 -0.67 0.00 0.00 178.83 178.57 2i9h h ALA 98 N 1.32 1.60 -0.00 3.87 0.00 0.87 -1.34 119.26 125.58 2i9h h ALA 98 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2i9h h ALA 98 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2i9h h ALA 98 CO 0.08 0.29 -0.39 -0.89 0.00 0.00 0.00 179.25 178.34 2i9h n ILE 99 N -4.35 0.00 0.00 0.00 5.41 -1.09 -3.74 119.36 115.59 2i9h n ILE 99 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2i9h n ILE 99 Cb 0.20 0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 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 -1.12 0.00 -0.23 -1.39 0.00 -0.56 -2.63 120.51 114.58 2i9h n ALA 100 Ca 0.09 -0.08 0.30 0.00 0.00 0.00 0.00 53.44 53.75 2i9h n ALA 100 Cb 0.34 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.51 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 2.89 0.03 0.00 0.00 -1.64 -1.22 119.26 117.32 2i9h h ALA 101 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2i9h h ALA 101 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2i9h h ALA 101 CO 0.00 -1.18 -0.49 -0.91 0.00 0.00 0.00 179.25 176.67 2i9h h ASN 102 N 0.03 0.11 -0.02 0.00 -0.26 -1.76 -3.52 115.58 110.16 2i9h h ASN 102 Ca 0.48 -0.89 0.00 0.00 -0.56 0.00 0.00 56.30 55.33 2i9h h ASN 102 Cb 1.86 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 39.08 2i9h h ASN 102 CO -0.02 1.21 0.00 0.00 -1.06 0.00 0.00 177.43 177.56