#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 1.97 -4.89 6.12 9.92 -1.26 -4.97 116.55 123.45 2k9a n ASP 2 Ca 0.00 0.08 -0.35 0.00 -0.53 0.00 0.00 54.79 53.99 2k9a n ASP 2 Cb 0.00 -0.60 -0.05 0.00 -0.64 0.00 0.00 41.12 39.83 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a s ALA 3 N -2.51 3.88 0.00 2.24 0.00 -1.26 -4.99 121.76 119.12 2k9a s ALA 3 Ca -0.36 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2k9a s ALA 3 Cb 0.11 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2k9a s ALA 3 CO 0.56 0.67 0.94 1.47 0.00 0.00 0.00 175.76 179.40 2k9a n LEU 4 N 1.19 1.87 -4.60 0.00 -0.00 -1.26 -5.04 117.00 109.16 2k9a n LEU 4 Ca -0.12 -1.87 -0.27 0.00 -0.00 0.00 0.00 56.01 53.74 2k9a n LEU 4 Cb 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.84 2k9a n LEU 4 CO 0.40 0.47 -0.32 -1.83 -0.00 0.00 0.00 177.39 176.12 2k9a s GLU 5 N -0.89 1.93 -0.28 1.47 -1.05 -1.26 -5.15 118.70 113.48 2k9a s GLU 5 Ca 0.00 -2.02 -0.38 0.00 -0.15 0.00 0.00 54.97 52.42 2k9a s GLU 5 Cb 0.00 -1.69 0.16 0.00 -0.44 0.00 0.00 34.13 32.15 2k9a s GLU 5 CO 0.00 0.02 1.39 0.20 0.95 0.00 0.00 175.26 177.82 2k9a s GLY 6 N -3.69 -0.22 0.02 -3.83 0.00 -1.26 -5.18 107.32 93.16 2k9a s GLY 6 Ca 0.34 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.91 2k9a s GLY 6 CO 0.18 0.60 -0.04 1.85 0.00 0.00 0.00 173.10 175.69 2k9a s GLU 7 N -2.03 0.32 0.00 2.90 2.12 -1.26 -5.02 118.70 115.74 2k9a s GLU 7 Ca 0.12 -0.60 0.10 0.00 0.36 0.00 0.00 54.97 54.95 2k9a s GLU 7 Cb -0.00 0.05 0.57 0.00 0.26 0.00 0.00 34.13 35.00 2k9a s GLU 7 CO -0.03 -0.03 1.24 -1.13 -0.54 0.00 0.00 175.26 174.77 2k9a n SER 8 N 1.67 0.00 -2.53 -1.70 3.41 -1.26 -4.94 113.62 108.28 2k9a n SER 8 Ca -0.23 -1.39 -0.04 0.00 -0.26 0.00 0.00 58.87 56.95 2k9a n SER 8 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k9a n PHE 9 N -0.68 -4.05 -4.36 7.33 3.72 -1.26 -5.05 117.46 113.12 2k9a n PHE 9 Ca 0.07 2.24 -0.25 0.00 -0.05 0.00 0.00 57.45 59.46 2k9a n PHE 9 Cb 0.03 -3.76 -0.17 0.00 -0.94 0.00 0.00 39.48 34.64 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a s ALA 10 N -0.82 1.24 -0.27 4.37 0.00 -1.26 -5.11 121.76 119.92 2k9a s ALA 10 Ca -0.21 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2k9a s ALA 10 Cb 0.01 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.55 2k9a s ALA 10 CO 0.73 -0.05 0.01 -0.51 0.00 0.00 0.00 175.76 175.95 2k9a s LEU 11 N 0.98 2.68 0.01 0.00 1.43 -1.26 -5.11 118.68 117.42 2k9a s LEU 11 Ca -0.09 -1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.50 2k9a s LEU 11 Cb -0.15 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2k9a s LEU 11 CO -0.00 -0.32 0.18 -0.55 0.23 0.00 0.00 176.35 175.89 2k9a s SER 12 N 1.43 0.00 0.41 2.29 0.15 -1.26 -5.15 113.70 111.57 2k9a s SER 12 Ca 0.02 -0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2k9a s SER 12 Cb -0.18 0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 64.29 2k9a s SER 12 CO -0.12 -0.44 1.19 0.72 1.20 0.00 0.00 173.24 175.79 2k9a s PHE 13 N -1.77 3.01 0.00 3.44 -0.71 -1.26 -4.92 117.98 115.76 2k9a s PHE 13 Ca -0.11 1.53 0.00 0.00 -1.04 0.00 0.00 56.93 57.31 2k9a s PHE 13 Cb -0.05 -3.43 0.00 0.00 -1.21 0.00 0.00 43.02 38.33 2k9a s PHE 13 CO 0.00 -1.45 0.64 0.45 -1.34 0.00 0.00 175.22 173.52 2k9a n SER 14 N 0.00 0.00 0.00 1.98 2.88 -1.26 -4.98 113.62 112.25 2k9a n SER 14 Ca 0.05 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 2k9a n SER 14 Cb 0.46 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k9a n SER 15 N 0.00 -0.45 0.07 -3.46 3.41 -1.26 -4.74 113.62 107.19 2k9a n SER 15 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2k9a n SER 15 Cb 0.56 -2.22 -0.13 0.00 -0.26 0.00 0.00 64.21 62.15 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 0.00 0.27 -0.02 7.33 0.00 -1.96 -1.85 119.26 123.04 2k9a h ALA 16 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2k9a h ALA 16 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k9a h ALA 16 CO 0.00 1.15 -0.44 0.45 0.00 0.00 0.00 179.25 180.41 2k9a n SER 17 N -3.41 2.00 -4.82 0.00 2.88 -1.26 -4.61 113.62 104.40 2k9a n SER 17 Ca -0.07 -1.50 -0.25 0.00 -1.33 0.00 0.00 58.87 55.72 2k9a n SER 17 Cb 1.00 0.46 0.08 0.00 -0.75 0.00 0.00 64.21 65.00 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k9a s ASP 18 N -2.37 4.66 0.62 -3.46 2.15 -1.23 -4.95 116.67 112.08 2k9a s ASP 18 Ca 0.18 0.24 0.34 0.00 0.43 0.00 0.00 52.55 53.74 2k9a s ASP 18 Cb 0.17 -0.83 1.96 0.00 -0.30 0.00 0.00 42.92 43.93 2k9a s ASP 18 CO 0.54 -1.67 2.23 0.00 -0.17 0.00 0.00 175.17 176.10 2k9a h ALA 19 N -0.58 1.42 -0.00 3.66 0.00 -1.93 -2.66 119.26 119.17 2k9a h ALA 19 Ca -0.43 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k9a h ALA 19 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2k9a h ALA 19 CO 0.54 -0.09 -0.07 1.49 0.00 0.00 0.00 179.25 181.12 2k9a h GLU 20 N 0.00 -0.11 0.46 0.00 4.81 -1.93 0.16 114.58 117.96 2k9a h GLU 20 Ca 0.02 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2k9a h GLU 20 Cb 0.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k9a h GLU 20 CO -0.00 -0.08 -0.22 0.35 -0.73 0.00 0.00 179.01 178.33 2k9a h PHE 21 N -0.12 -0.57 -0.35 0.92 3.57 -0.96 -2.60 116.94 116.83 2k9a h PHE 21 Ca 0.03 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 21 Cb 0.15 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2k9a h PHE 21 CO -0.14 -0.30 0.26 -0.44 -2.23 0.00 0.00 178.31 175.46 2k9a h ASP 22 N -0.72 0.00 -0.11 0.41 3.32 -1.55 -1.81 116.42 115.97 2k9a h ASP 22 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2k9a h ASP 22 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2k9a h ASP 22 CO 0.10 0.00 0.01 0.00 -1.72 0.00 0.00 179.24 177.63 2k9a h ALA 23 N 1.82 0.14 -0.90 3.45 0.00 -0.34 -2.57 119.26 120.85 2k9a h ALA 23 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k9a h ALA 23 Cb 0.68 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2k9a h ALA 23 CO -0.00 -0.20 0.50 0.28 0.00 0.00 0.00 179.25 179.83 2k9a h VAL 24 N -0.07 1.26 -0.80 0.00 2.07 -0.98 -2.41 116.25 115.31 2k9a h VAL 24 Ca 0.03 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2k9a h VAL 24 Cb 0.31 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 24 CO 0.00 0.29 0.50 0.58 0.02 0.00 0.00 177.57 178.96 2k9a h VAL 25 N 1.25 1.06 -0.18 2.57 2.07 -1.32 -1.02 116.25 120.69 2k9a h VAL 25 Ca 0.32 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k9a h VAL 25 Cb 0.01 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2k9a h VAL 25 CO -0.05 0.17 0.10 1.23 0.02 0.00 0.00 177.57 179.03 2k9a h GLY 26 N 0.93 0.28 1.14 2.17 0.00 -1.03 -2.26 103.07 104.30 2k9a h GLY 26 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.55 2k9a h GLY 26 CO -0.15 0.12 0.58 -0.97 0.00 0.00 0.00 176.54 176.12 2k9a h TYR 27 N 0.18 1.09 -0.37 5.60 0.05 -1.13 -2.41 116.97 119.98 2k9a h TYR 27 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2k9a h TYR 27 Cb 0.08 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2k9a h TYR 27 CO -0.04 0.68 0.24 -0.07 -1.05 0.00 0.00 178.16 177.93 2k9a h LEU 28 N 1.17 0.42 -0.98 3.88 3.38 -0.90 -2.26 115.31 120.03 2k9a h LEU 28 Ca 0.32 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.34 2k9a h LEU 28 Cb -0.13 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2k9a h LEU 28 CO -0.07 0.30 0.63 -0.33 0.09 0.00 0.00 178.44 179.06 2k9a h GLU 29 N 0.50 1.13 -0.58 1.13 5.08 -0.94 -0.46 114.58 120.44 2k9a h GLU 29 Ca 0.13 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2k9a h GLU 29 Cb -0.06 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 2k9a h GLU 29 CO -0.03 0.75 0.21 0.22 -1.00 0.00 0.00 179.01 179.16 2k9a h ASP 30 N 1.16 0.77 -0.03 1.42 1.82 -1.08 -1.78 116.42 118.71 2k9a h ASP 30 Ca 0.41 -0.11 -0.22 0.00 -0.39 0.00 0.00 57.03 56.73 2k9a h ASP 30 Cb 0.12 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 39.94 2k9a h ASP 30 CO -0.16 0.71 -0.80 0.40 -1.61 0.00 0.00 179.24 177.78 2k9a h ILE 31 N 0.83 1.30 -0.19 2.25 2.04 -0.73 -2.79 117.51 120.22 2k9a h ILE 31 Ca 0.20 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 2k9a h ILE 31 Cb 0.19 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2k9a h ILE 31 CO -0.02 0.64 -0.20 0.40 0.00 0.00 0.00 178.15 178.97 2k9a h ILE 32 N 0.46 1.23 -0.09 -0.67 2.04 -0.86 -2.15 117.51 117.47 2k9a h ILE 32 Ca -0.06 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2k9a h ILE 32 Cb 1.42 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2k9a h ILE 32 CO 0.16 0.33 0.00 0.23 0.00 0.00 0.00 178.15 178.87 2k9a n MET 33 N -4.18 1.63 -2.29 2.37 2.81 -0.69 -4.56 117.12 112.20 2k9a n MET 33 Ca -0.00 -0.93 -0.39 0.00 -1.81 0.00 0.00 57.70 54.57 2k9a n MET 33 Cb 0.35 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k9a s ASP 34 N -1.77 6.59 0.12 7.83 2.15 -0.81 -4.95 116.67 125.83 2k9a s ASP 34 Ca 0.35 2.37 -0.20 0.00 0.43 0.00 0.00 52.55 55.50 2k9a s ASP 34 Cb 0.19 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 40.13 2k9a s ASP 34 CO 0.30 -0.63 1.77 0.44 -0.17 0.00 0.00 175.17 176.87 2k9a h ASP 35 N 2.76 0.18 0.02 -0.34 3.32 -1.91 -1.73 116.42 118.73 2k9a h ASP 35 Ca -0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 2k9a h ASP 35 Cb 1.23 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k9a h ASP 35 CO 0.63 0.14 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.95 2k9a h GLU 36 N 0.24 0.00 0.09 3.56 3.07 -1.93 -1.91 114.58 117.69 2k9a h GLU 36 Ca 0.08 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2k9a h GLU 36 Cb -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2k9a h GLU 36 CO -0.04 0.00 -0.04 0.35 -1.40 0.00 0.00 179.01 177.88 2k9a h PHE 37 N 0.00 -0.11 -0.50 4.33 3.57 -1.58 -2.25 116.94 120.41 2k9a h PHE 37 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k9a h PHE 37 Cb 0.02 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2k9a h PHE 37 CO 0.00 0.44 0.32 1.96 -2.23 0.00 0.00 178.31 178.80 2k9a h GLN 38 N -0.85 0.63 0.12 1.11 1.08 -1.16 0.22 115.11 116.27 2k9a h GLN 38 Ca -0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2k9a h GLN 38 Cb 0.59 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2k9a h GLN 38 CO 0.02 0.42 -0.06 1.25 -0.95 0.00 0.00 178.83 179.51 2k9a h LEU 39 N 0.65 -0.14 -1.62 1.46 5.85 -1.47 -1.54 115.31 118.51 2k9a h LEU 39 Ca 0.19 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2k9a h LEU 39 Cb -0.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2k9a h LEU 39 CO -0.06 -0.07 -0.21 0.25 -0.34 0.00 0.00 178.44 178.02 2k9a h LEU 40 N -0.20 0.00 0.21 2.25 6.46 -1.21 -0.16 115.31 122.66 2k9a h LEU 40 Ca -0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2k9a h LEU 40 Cb 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2k9a h LEU 40 CO 0.03 0.21 -0.10 1.56 -0.62 0.00 0.00 178.44 179.52 2k9a h GLN 41 N 0.00 -0.28 -0.06 1.25 1.08 -0.11 -2.76 115.11 114.23 2k9a h GLN 41 Ca -0.00 0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 2k9a h GLN 41 Cb 0.42 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2k9a h GLN 41 CO 0.03 0.09 -0.60 -0.09 -0.95 0.00 0.00 178.83 177.30 2k9a h ARG 42 N -0.72 0.21 -0.10 1.46 2.43 -1.22 -1.56 114.38 114.87 2k9a h ARG 42 Ca -0.03 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2k9a h ARG 42 Cb 0.49 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2k9a h ARG 42 CO 0.05 0.75 0.04 -0.97 -1.51 0.00 0.00 179.97 178.33 2k9a h ASN 43 N 0.15 0.06 0.03 -3.80 -0.73 -1.07 -0.30 115.58 109.93 2k9a h ASN 43 Ca -0.01 0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 2k9a h ASN 43 Cb 1.10 -0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.70 2k9a h ASN 43 CO 0.09 0.05 -0.55 -0.26 -0.37 0.00 0.00 177.43 176.39 2k9a h PHE 44 N 0.10 0.49 -0.10 0.67 -1.00 -1.51 -3.23 116.94 112.37 2k9a h PHE 44 Ca 0.04 -0.29 0.03 0.00 2.81 0.00 0.00 57.97 60.56 2k9a h PHE 44 Cb 0.01 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 2k9a h PHE 44 CO -0.09 1.13 0.12 0.52 -1.61 0.00 0.00 178.31 178.38 2k9a h MET 45 N -0.28 0.00 -0.10 1.51 2.86 -1.26 -0.22 114.93 117.43 2k9a h MET 45 Ca -0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2k9a h MET 45 Cb 1.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 2k9a h MET 45 CO 0.11 0.00 -0.03 0.22 1.06 0.00 0.00 176.91 178.27 2k9a h ASP 46 N 0.00 0.13 0.03 1.22 3.58 -1.06 -1.41 116.42 118.92 2k9a h ASP 46 Ca 0.05 -0.01 -0.35 0.00 0.42 0.00 0.00 57.03 57.14 2k9a h ASP 46 Cb 0.28 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2k9a h ASP 46 CO -0.00 0.19 -1.94 1.17 -2.88 0.00 0.00 179.24 175.78 2k9a n LYS 47 N -4.41 0.64 -0.07 0.28 3.00 -0.19 -4.14 118.16 113.27 2k9a n LYS 47 Ca -0.01 0.36 -0.07 0.00 -0.00 0.00 0.00 58.31 58.58 2k9a n LYS 47 Cb 0.16 -1.65 -0.01 0.00 0.00 0.00 0.00 35.03 33.54 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2k9a h TYR 48 N -0.55 -0.26 0.00 5.64 -1.99 -1.26 -0.74 116.97 117.81 2k9a h TYR 48 Ca -0.49 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.27 2k9a h TYR 48 Cb 1.67 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 40.56 2k9a h TYR 48 CO 0.04 -0.17 -0.02 0.10 -0.00 0.00 0.00 178.16 178.11 2k9a h TYR 49 N -0.06 0.00 -0.04 4.88 -0.00 -1.47 -1.75 116.97 118.53 2k9a h TYR 49 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.77 2k9a h TYR 49 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.02 2k9a h TYR 49 CO -0.31 0.02 -0.39 -0.07 -0.00 0.00 0.00 178.16 177.41 2k9a h LEU 50 N 0.00 0.42 -0.66 0.10 3.38 -1.30 -3.29 115.31 113.95 2k9a h LEU 50 Ca -0.00 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.16 2k9a h LEU 50 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 50 CO 0.00 1.05 -0.11 -0.33 0.09 0.00 0.00 178.44 179.14 2k9a h GLU 51 N -0.18 0.93 -5.87 1.13 5.08 -0.95 -3.38 114.58 111.35 2k9a h GLU 51 Ca -0.04 -0.33 -0.43 0.00 -1.00 0.00 0.00 59.36 57.56 2k9a h GLU 51 Cb 1.08 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.19 2k9a h GLU 51 CO 0.08 0.99 1.08 -0.06 -1.00 0.00 0.00 179.01 180.11 2k9a s PHE 52 N -4.82 2.12 -0.07 4.33 0.40 -0.71 -4.96 117.98 114.28 2k9a s PHE 52 Ca -0.11 -0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 2k9a s PHE 52 Cb 0.13 -4.32 -0.05 0.00 0.51 0.00 0.00 43.02 39.30 2k9a s PHE 52 CO 0.85 -1.81 0.23 -1.21 0.70 0.00 0.00 175.22 173.98 2k9a s GLU 53 N 6.12 3.57 -0.74 0.44 2.02 -1.26 -4.87 118.70 123.98 2k9a s GLU 53 Ca 0.60 -0.00 -0.26 0.00 0.02 0.00 0.00 54.97 55.33 2k9a s GLU 53 Cb -0.04 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.94 2k9a s GLU 53 CO -0.04 0.73 2.18 0.16 0.02 0.00 0.00 175.26 178.31 2k9a s ASP 54 N -1.19 4.59 0.09 -0.19 1.47 -1.26 -4.87 116.67 115.31 2k9a s ASP 54 Ca 0.20 0.06 0.01 0.00 1.18 0.00 0.00 52.55 54.00 2k9a s ASP 54 Cb -0.13 -2.54 -0.00 0.00 -0.34 0.00 0.00 42.92 39.90 2k9a s ASP 54 CO 0.09 -3.11 0.04 0.35 0.68 0.00 0.00 175.17 173.22 2k9a n THR 55 N 8.11 0.00 -0.00 2.11 -2.24 -1.26 -5.07 114.28 115.93 2k9a n THR 55 Ca 0.39 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2k9a n THR 55 Cb 0.48 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2k9a n THR 55 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k9a n GLU 56 N -0.19 5.29 -3.17 -0.78 0.28 -1.26 -5.05 120.64 115.76 2k9a n GLU 56 Ca -0.00 -0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 2k9a n GLU 56 Cb 0.14 -0.38 -0.06 0.00 1.43 0.00 0.00 31.44 32.57 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k9a s GLU 57 N -0.76 4.09 -0.07 3.44 2.02 -1.26 -5.07 118.70 121.09 2k9a s GLU 57 Ca 0.00 0.70 -0.15 0.00 0.02 0.00 0.00 54.97 55.55 2k9a s GLU 57 Cb 0.00 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 2k9a s GLU 57 CO 0.00 0.30 0.37 -0.80 0.02 0.00 0.00 175.26 175.15 2k9a s ASN 58 N -1.96 6.66 0.11 -0.19 0.01 -1.26 -5.09 114.94 113.22 2k9a s ASN 58 Ca 0.47 0.78 0.10 0.00 -0.71 0.00 0.00 52.86 53.50 2k9a s ASN 58 Cb -0.13 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 2k9a s ASN 58 CO 0.19 0.21 -0.24 -0.54 -1.51 0.00 0.00 177.10 175.21 2k9a s LYS 59 N -0.35 1.31 0.00 -0.60 1.02 -1.26 -5.02 119.74 114.84 2k9a s LYS 59 Ca 0.22 -1.23 0.26 0.00 0.02 0.00 0.00 55.97 55.24 2k9a s LYS 59 Cb -0.15 -1.67 1.14 0.00 -0.52 0.00 0.00 37.83 36.64 2k9a s LYS 59 CO 0.10 0.40 1.85 1.28 -0.92 0.00 0.00 175.35 178.05 2k9a n LEU 60 N 1.09 0.00 0.16 3.17 4.77 -1.26 -3.16 117.00 121.77 2k9a n LEU 60 Ca -0.19 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.40 2k9a n LEU 60 Cb 0.53 -0.48 0.52 0.00 -2.33 0.00 0.00 43.42 41.67 2k9a n LEU 60 CO 0.23 -0.05 0.88 -0.29 -1.33 0.00 0.00 177.39 176.83 2k9a h ILE 61 N 0.00 0.00 0.00 -0.08 6.09 -2.02 -2.71 117.51 118.78 2k9a h ILE 61 Ca 0.00 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 63.20 2k9a h ILE 61 Cb 0.43 1.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 2k9a h ILE 61 CO 0.00 0.00 -0.04 1.88 -3.07 0.00 0.00 178.15 176.92 2k9a h TYR 62 N 0.00 0.00 0.05 2.19 0.05 -1.99 -2.86 116.97 114.42 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k9a h TYR 62 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 2k9a h TYR 62 CO 0.00 0.04 -0.03 1.15 -1.05 0.00 0.00 178.16 178.27 2k9a h THR 63 N 0.00 1.22 -0.62 -2.88 2.02 -1.74 -2.56 112.91 108.36 2k9a h THR 63 Ca -0.00 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2k9a h THR 63 Cb 0.60 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 2k9a h THR 63 CO 0.01 0.36 0.31 -0.65 0.37 0.00 0.00 175.52 175.92 2k9a h PRO 64 N -0.86 0.88 -0.23 6.66 0.11 -1.72 -1.72 132.00 135.12 2k9a h PRO 64 Ca -0.01 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2k9a h PRO 64 Cb 0.65 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.01 0.69 0.14 0.82 -0.21 0.00 0.00 178.00 179.45 2k9a h ILE 65 N 0.84 1.10 0.06 4.15 2.04 -1.63 -1.64 117.51 122.44 2k9a h ILE 65 Ca 0.21 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2k9a h ILE 65 Cb 0.09 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2k9a h ILE 65 CO -0.03 0.10 -0.03 0.15 0.00 0.00 0.00 178.15 178.34 2k9a h PHE 66 N 0.28 -0.07 -0.08 1.37 3.57 -1.32 -1.64 116.94 119.05 2k9a h PHE 66 Ca 0.08 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2k9a h PHE 66 Cb 0.04 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k9a h PHE 66 CO -0.04 -0.04 0.07 -0.91 -2.23 0.00 0.00 178.31 175.15 2k9a h ASN 67 N -0.08 0.00 -0.10 0.41 2.35 -1.23 -1.87 115.58 115.06 2k9a h ASN 67 Ca -0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 2k9a h ASN 67 Cb 0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2k9a h ASN 67 CO 0.01 0.00 -0.47 -0.08 -1.65 0.00 0.00 177.43 175.24 2k9a h GLU 68 N 0.00 0.50 -0.25 0.81 4.57 -0.58 -2.30 114.58 117.33 2k9a h GLU 68 Ca 0.04 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2k9a h GLU 68 Cb 0.17 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2k9a h GLU 68 CO -0.00 1.03 0.14 -0.92 -1.18 0.00 0.00 179.01 178.08 2k9a h TYR 69 N 0.08 0.32 0.25 0.92 3.20 -0.52 0.29 116.97 121.51 2k9a h TYR 69 Ca -0.03 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2k9a h TYR 69 Cb 1.12 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2k9a h TYR 69 CO 0.12 0.23 -0.12 0.82 -1.64 0.00 0.00 178.16 177.56 2k9a h ILE 70 N 0.34 0.32 0.00 1.81 1.08 -1.42 0.82 117.51 120.47 2k9a h ILE 70 Ca 0.09 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 2k9a h ILE 70 Cb 0.00 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2k9a h ILE 70 CO -0.02 0.09 -0.02 0.28 -0.69 0.00 0.00 178.15 177.79 2k9a h SER 71 N -1.03 0.00 0.00 1.72 0.02 -1.32 0.87 113.55 113.82 2k9a h SER 71 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k9a h SER 71 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k9a h SER 71 CO 0.06 0.02 -0.31 -0.11 -1.14 0.00 0.00 176.83 175.35 2k9a n LEU 72 N -4.09 1.09 0.08 5.07 -0.00 0.08 -4.15 117.00 115.09 2k9a n LEU 72 Ca -0.03 0.48 -0.05 0.00 -0.00 0.00 0.00 56.01 56.42 2k9a n LEU 72 Cb 0.11 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 42.78 2k9a n LEU 72 CO 0.30 -0.49 0.14 0.58 -0.00 0.00 0.00 177.39 177.92 2k9a h VAL 73 N -0.60 0.00 -0.95 1.96 2.07 -0.90 -2.23 116.25 115.59 2k9a h VAL 73 Ca 0.00 -0.63 0.17 0.00 0.82 0.00 0.00 66.70 67.06 2k9a h VAL 73 Cb 0.31 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 2k9a h VAL 73 CO 0.00 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.11 2k9a h GLU 74 N -0.92 0.70 -0.11 1.57 4.81 -0.96 0.07 114.58 119.73 2k9a h GLU 74 Ca -0.03 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 58.97 2k9a h GLU 74 Cb 0.23 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k9a h GLU 74 CO 0.05 0.46 -0.72 -0.22 -0.73 0.00 0.00 179.01 177.85 2k9a h LYS 75 N 0.72 0.52 -0.99 1.92 3.64 -1.00 -2.79 116.57 118.59 2k9a h LYS 75 Ca 0.51 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2k9a h LYS 75 Cb 0.83 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2k9a h LYS 75 CO -0.27 1.04 0.65 -0.92 -2.27 0.00 0.00 179.45 177.68 2k9a h TYR 76 N 0.36 1.24 -0.02 1.91 3.20 -0.36 -0.73 116.97 122.58 2k9a h TYR 76 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k9a h TYR 76 Cb 1.30 -0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k9a h TYR 76 CO 0.05 0.78 -0.01 0.82 -1.64 0.00 0.00 178.16 178.16 2k9a h ILE 77 N 1.33 1.34 -0.12 1.81 2.04 -1.34 -2.82 117.51 119.75 2k9a h ILE 77 Ca 0.36 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2k9a h ILE 77 Cb -0.14 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2k9a h ILE 77 CO -0.08 0.27 -0.05 -0.08 0.00 0.00 0.00 178.15 178.20 2k9a h GLU 78 N -0.37 -0.04 -0.02 2.37 4.81 -1.29 -2.18 114.58 117.86 2k9a h GLU 78 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2k9a h GLU 78 Cb 0.44 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2k9a h GLU 78 CO 0.00 -0.02 -0.27 0.93 -0.73 0.00 0.00 179.01 178.91 2k9a h GLU 79 N -0.04 -0.39 -0.26 1.92 4.39 -1.19 0.55 114.58 119.56 2k9a h GLU 79 Ca 0.07 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2k9a h GLU 79 Cb 0.14 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k9a h GLU 79 CO -0.15 -0.26 0.18 1.96 -1.16 0.00 0.00 179.01 179.58 2k9a h GLN 80 N -0.41 0.15 0.13 2.33 1.08 -1.36 -1.93 115.11 115.11 2k9a h GLN 80 Ca 0.07 -0.01 -0.29 0.00 -1.45 0.00 0.00 58.65 56.97 2k9a h GLN 80 Cb 0.50 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2k9a h GLN 80 CO -0.25 0.10 -1.24 -0.07 -0.95 0.00 0.00 178.83 176.42 2k9a h LEU 81 N 0.16 0.70 -1.39 1.46 3.38 -0.68 -3.26 115.31 115.68 2k9a h LEU 81 Ca 0.12 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 2k9a h LEU 81 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k9a h LEU 81 CO -0.02 1.50 -0.16 -0.07 0.09 0.00 0.00 178.44 179.78 2k9a h LEU 82 N 0.19 0.00 -2.16 1.67 -0.00 -0.27 -2.09 115.31 112.65 2k9a h LEU 82 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2k9a h LEU 82 Cb 1.92 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 2k9a h LEU 82 CO 0.22 0.16 0.12 1.56 -0.00 0.00 0.00 178.44 180.50 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.42 -1.76 115.11 117.27 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 83 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2k9a h GLN 83 CO 0.02 0.00 -0.37 0.54 -0.67 0.00 0.00 178.83 178.35 2k9a n ARG 84 N -2.74 3.87 -3.64 1.46 1.74 -1.01 -4.94 116.66 111.41 2k9a n ARG 84 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.17 -0.65 -0.13 0.00 -1.02 0.00 0.00 32.46 30.83 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k9a s ILE 85 N -1.25 0.82 -1.07 0.55 1.01 -0.66 -4.97 121.20 115.63 2k9a s ILE 85 Ca 0.00 -1.91 0.19 0.00 0.00 0.00 0.00 60.65 58.93 2k9a s ILE 85 Cb 0.00 -1.59 0.19 0.00 0.01 0.00 0.00 42.46 41.06 2k9a s ILE 85 CO 0.00 -0.86 1.61 -2.65 0.00 0.00 0.00 174.94 173.04 2k9a n PRO 86 N 4.13 0.05 -0.27 2.79 -0.02 -1.23 -2.49 135.00 137.96 2k9a n PRO 86 Ca 0.06 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2k9a n PRO 86 Cb 0.38 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.54 2k9a n PRO 86 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2k9a n GLU 87 N -1.46 2.56 -1.75 -0.52 0.28 -1.26 -5.04 120.64 113.44 2k9a n GLU 87 Ca 0.05 -2.51 -0.38 0.00 -0.16 0.00 0.00 57.16 54.17 2k9a n GLU 87 Cb 0.21 -1.58 0.05 0.00 1.43 0.00 0.00 31.44 31.56 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2k9a s PHE 88 N -2.31 2.17 -0.54 -1.84 5.36 -1.04 -5.00 117.98 114.78 2k9a s PHE 88 Ca 0.32 1.42 0.04 0.00 -0.96 0.00 0.00 56.93 57.75 2k9a s PHE 88 Cb 0.25 -3.76 0.15 0.00 -0.34 0.00 0.00 43.02 39.32 2k9a s PHE 88 CO 0.08 -2.95 0.35 0.54 -1.46 0.00 0.00 175.22 171.78 2k9a s ASN 89 N -1.15 3.81 0.60 6.13 4.22 -1.26 -4.94 114.94 122.35 2k9a s ASN 89 Ca 0.77 -3.19 0.38 0.00 -2.14 0.00 0.00 52.86 48.67 2k9a s ASN 89 Cb -0.39 -1.25 1.79 0.00 1.28 0.00 0.00 41.25 42.68 2k9a s ASN 89 CO 0.44 -0.18 2.14 -0.03 -2.04 0.00 0.00 177.10 177.43 2k9a h MET 90 N 6.04 0.00 0.19 3.55 4.05 -1.98 -0.78 114.93 126.01 2k9a h MET 90 Ca 0.08 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2k9a h MET 90 Cb 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2k9a h MET 90 CO 0.58 0.00 -0.09 0.00 0.23 0.00 0.00 176.91 177.63 2k9a h ALA 91 N 2.00 -0.26 0.00 0.39 0.00 -2.00 -2.61 119.26 116.78 2k9a h ALA 91 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 91 Cb 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k9a h ALA 91 CO 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 179.25 178.72 2k9a h ALA 92 N -0.76 1.10 0.14 0.00 0.00 -1.97 -2.79 119.26 114.98 2k9a h ALA 92 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 92 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k9a h ALA 92 CO 0.04 0.33 -0.07 0.35 0.00 0.00 0.00 179.25 179.91 2k9a h PHE 93 N 0.00 -0.17 -0.24 0.00 3.57 -1.24 -2.48 116.94 116.38 2k9a h PHE 93 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2k9a h PHE 93 Cb 0.69 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2k9a h PHE 93 CO 0.00 0.29 0.05 1.79 -2.23 0.00 0.00 178.31 178.22 2k9a h THR 94 N -0.79 0.90 -0.03 4.41 1.35 -1.47 0.20 112.91 117.47 2k9a h THR 94 Ca -0.02 -0.05 0.03 0.00 -0.55 0.00 0.00 66.41 65.82 2k9a h THR 94 Cb 0.54 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2k9a h THR 94 CO 0.03 0.03 -0.14 0.71 -0.25 0.00 0.00 175.52 175.89 2k9a h THR 95 N 0.15 0.64 0.00 6.82 1.35 -1.59 -1.64 112.91 118.63 2k9a h THR 95 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.92 2k9a h THR 95 Cb 0.10 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2k9a h THR 95 CO -0.14 0.00 -0.23 0.74 -0.25 0.00 0.00 175.52 175.64 2k9a h THR 96 N -0.22 1.12 -0.44 6.82 2.02 -1.21 -2.59 112.91 118.42 2k9a h THR 96 Ca 0.06 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 2k9a h THR 96 Cb 0.30 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2k9a h THR 96 CO -0.17 0.23 -0.10 0.25 0.37 0.00 0.00 175.52 176.11 2k9a h LEU 97 N 0.00 0.77 -1.56 2.58 6.46 0.27 -2.47 115.31 121.34 2k9a h LEU 97 Ca -0.00 -0.22 0.21 0.00 -0.12 0.00 0.00 57.88 57.75 2k9a h LEU 97 Cb 0.43 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 2k9a h LEU 97 CO 0.03 0.89 0.61 1.56 -0.62 0.00 0.00 178.44 180.91 2k9a h GLN 98 N 0.71 0.34 0.18 1.25 4.20 -0.91 0.21 115.11 121.08 2k9a h GLN 98 Ca 0.12 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.50 2k9a h GLN 98 Cb 0.57 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.29 2k9a h GLN 98 CO 0.04 0.23 -1.50 0.45 -0.67 0.00 0.00 178.83 177.37 2k9a h HIS 99 N 0.35 0.69 0.00 2.96 3.86 -1.61 -3.27 115.15 118.13 2k9a h HIS 99 Ca 0.47 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k9a h HIS 99 Cb 1.26 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2k9a h HIS 99 CO -0.00 1.58 0.00 0.72 0.86 0.00 0.00 177.93 181.09 2k9a n HIS 100 N -3.77 0.00 0.31 2.45 8.25 -0.34 -2.68 115.22 119.45 2k9a n HIS 100 Ca -0.22 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.42 2k9a n HIS 100 Cb 1.01 -0.12 1.02 0.00 1.12 0.00 0.00 29.99 33.02 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 3.64 -0.71 0.82 116.57 119.91 2k9a h LYS 101 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2k9a h LYS 101 Cb 0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2k9a h LYS 101 CO 0.00 0.01 -0.47 0.22 -2.27 0.00 0.00 179.45 176.95 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.77 -3.36 116.42 119.07 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k9a h ASP 102 CO 0.00 0.47 -0.40 1.21 -2.88 0.00 0.00 179.24 177.63 2k9a n GLU 103 N -3.65 0.28 -0.62 0.28 4.07 0.09 -4.96 120.64 116.13 2k9a n GLU 103 Ca -0.01 0.30 -0.30 0.00 -0.06 0.00 0.00 57.16 57.09 2k9a n GLU 103 Cb 0.55 -1.21 0.19 0.00 -0.06 0.00 0.00 31.44 30.91 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k9a n VAL 104 N -3.64 0.00 -1.51 6.31 3.14 -0.09 -4.78 118.33 117.76 2k9a n VAL 104 Ca -0.06 -0.13 -0.45 0.00 -2.96 0.00 0.00 64.34 60.74 2k9a n VAL 104 Cb 0.21 -0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 31.95 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a n ALA 105 N -4.44 1.16 0.15 1.55 0.00 -1.26 -4.76 120.51 112.90 2k9a n ALA 105 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k9a n ALA 105 Cb 0.53 -2.75 0.31 0.00 0.00 0.00 0.00 19.45 17.54 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 14.39 0.09 1.05 0.00 0.00 -1.87 -2.56 103.07 114.18 2k9a h GLY 106 Ca -0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2k9a h GLY 106 CO 1.06 0.07 0.19 -0.55 0.00 0.00 0.00 176.54 177.31 2k9a h ASP 107 N 0.07 1.05 -0.01 0.19 5.19 -1.93 0.54 116.42 121.53 2k9a h ASP 107 Ca 0.01 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 2k9a h ASP 107 Cb 0.72 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2k9a h ASP 107 CO 0.05 1.00 -0.03 0.40 -3.12 0.00 0.00 179.24 177.55 2k9a h ILE 108 N 1.06 1.49 0.00 0.35 2.04 -1.92 -3.21 117.51 117.31 2k9a h ILE 108 Ca 0.22 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 2k9a h ILE 108 Cb 0.35 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 2k9a h ILE 108 CO -0.00 0.39 -0.21 0.15 0.00 0.00 0.00 178.15 178.48 2k9a h PHE 109 N -0.57 0.00 -1.14 1.37 3.57 -1.45 -2.65 116.94 116.07 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.65 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2k9a h PHE 109 CO 0.14 0.21 0.81 0.22 -2.23 0.00 0.00 178.31 177.45 2k9a h ASP 110 N 0.00 0.08 -0.02 0.41 1.82 -0.88 0.67 116.42 118.50 2k9a h ASP 110 Ca -0.00 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2k9a h ASP 110 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2k9a h ASP 110 CO 0.03 0.01 -0.05 -0.03 -1.61 0.00 0.00 179.24 177.59 2k9a h MET 111 N 0.07 0.06 0.00 0.28 4.05 -1.61 -3.13 114.93 114.64 2k9a h MET 111 Ca 0.56 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.92 2k9a h MET 111 Cb 2.09 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.90 2k9a h MET 111 CO -0.06 0.66 -0.11 -0.07 0.23 0.00 0.00 176.91 177.56 2k9a h LEU 112 N -0.54 0.00 -1.91 3.39 3.38 -0.66 -2.80 115.31 116.18 2k9a h LEU 112 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2k9a h LEU 112 CO 0.01 0.11 0.59 0.25 0.09 0.00 0.00 178.44 179.50 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.21 0.15 115.31 123.19 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k9a h LEU 113 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2k9a h LEU 113 CO 0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.88 0.00 0.17 1.05 -2.24 -1.06 -2.26 114.28 106.05 2k9a n THR 114 Ca 0.13 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 2k9a n THR 114 Cb 0.84 -0.81 0.43 0.00 -2.10 0.00 0.00 70.33 68.68 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.12 0.00 4.78 0.04 -1.23 -3.39 116.94 117.26 2k9a h PHE 115 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k9a h PHE 115 Cb 0.00 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2k9a h PHE 115 CO 0.00 0.30 0.00 -2.37 -0.60 0.00 0.00 178.31 175.64 2k9a n THR 116 N -4.27 0.00 -2.33 -1.55 5.66 -1.08 -5.02 114.28 105.69 2k9a n THR 116 Ca -0.02 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.62 2k9a n THR 116 Cb 0.28 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.02 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N -0.51 5.87 0.24 1.09 -1.08 -0.96 -4.82 116.67 116.50 2k9a s ASP 117 Ca 0.00 -0.85 -0.06 0.00 -0.52 0.00 0.00 52.55 51.12 2k9a s ASP 117 Cb 0.00 -2.56 0.29 0.00 -1.46 0.00 0.00 42.92 39.19 2k9a s ASP 117 CO 0.00 -2.06 1.89 0.15 0.52 0.00 0.00 175.17 175.67 2k9a h PHE 118 N 10.91 1.09 -0.82 -5.34 3.57 -1.88 -1.73 116.94 122.75 2k9a h PHE 118 Ca 0.04 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.70 2k9a h PHE 118 Cb 1.03 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 2k9a h PHE 118 CO 1.21 0.63 0.53 1.25 -2.23 0.00 0.00 178.31 179.70 2k9a h LEU 119 N 1.13 0.59 -0.24 0.59 5.85 -1.99 -0.77 115.31 120.47 2k9a h LEU 119 Ca 0.36 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.90 2k9a h LEU 119 Cb 0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2k9a h LEU 119 CO -0.12 0.32 -0.91 0.00 -0.34 0.00 0.00 178.44 177.39 2k9a h ALA 120 N 1.61 0.47 0.38 1.25 0.00 -1.71 -2.43 119.26 118.83 2k9a h ALA 120 Ca 0.40 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k9a h ALA 120 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k9a h ALA 120 CO -0.16 0.91 -0.18 0.35 0.00 0.00 0.00 179.25 180.17 2k9a h PHE 121 N 0.13 -0.47 0.10 0.00 3.57 -0.69 -0.26 116.94 119.32 2k9a h PHE 121 Ca -0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.55 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.44 2k9a h PHE 121 CO 0.04 -0.20 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.65 2k9a h LYS 122 N -0.69 -0.13 -0.53 1.11 3.64 -1.46 -2.76 116.57 115.74 2k9a h LYS 122 Ca -0.05 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2k9a h LYS 122 Cb 0.49 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2k9a h LYS 122 CO 0.09 0.10 0.36 1.49 -2.27 0.00 0.00 179.45 179.21 2k9a h GLU 123 N -0.35 0.31 -0.18 1.90 4.81 -1.49 -1.80 114.58 117.77 2k9a h GLU 123 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k9a h GLU 123 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k9a h GLU 123 CO 0.02 0.20 0.07 1.98 -0.73 0.00 0.00 179.01 180.56 2k9a h MET 124 N 0.32 0.27 -0.29 1.92 4.05 -0.76 -0.97 114.93 119.46 2k9a h MET 124 Ca 0.24 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2k9a h MET 124 Cb 0.54 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2k9a h MET 124 CO -0.06 0.35 0.13 0.74 0.23 0.00 0.00 176.91 178.30 2k9a h PHE 125 N 0.13 0.43 0.00 1.39 0.04 -1.12 -2.02 116.94 115.80 2k9a h PHE 125 Ca 0.06 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2k9a h PHE 125 Cb 0.18 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2k9a h PHE 125 CO -0.01 0.41 -0.09 -0.07 -0.60 0.00 0.00 178.31 177.95 2k9a h LEU 126 N 0.33 0.00 0.14 1.54 4.07 -1.32 -1.18 115.31 118.89 2k9a h LEU 126 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2k9a h LEU 126 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2k9a h LEU 126 CO -0.01 0.09 -0.07 -0.78 -1.08 0.00 0.00 178.44 176.59 2k9a h ASP 127 N 0.00 -0.16 -0.83 -0.43 1.82 -0.73 -2.10 116.42 114.00 2k9a h ASP 127 Ca -0.00 -0.36 0.01 0.00 -0.39 0.00 0.00 57.03 56.29 2k9a h ASP 127 Cb 0.17 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2k9a h ASP 127 CO 0.01 0.33 0.55 0.22 -1.61 0.00 0.00 179.24 178.74 2k9a h TYR 128 N -0.72 1.03 -0.49 0.28 3.20 -1.16 -2.03 116.97 117.07 2k9a h TYR 128 Ca -0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2k9a h TYR 128 Cb 0.52 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2k9a h TYR 128 CO 0.08 0.64 -0.06 -0.09 -1.64 0.00 0.00 178.16 177.10 2k9a h ARG 129 N 1.11 0.87 0.00 1.82 2.43 -1.25 -2.58 114.38 116.78 2k9a h ARG 129 Ca 0.31 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2k9a h ARG 129 Cb -0.11 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2k9a h ARG 129 CO -0.07 0.90 -0.36 0.00 -1.51 0.00 0.00 179.97 178.93 2k9a h ALA 130 N 1.14 1.24 0.00 2.80 0.00 -0.71 -2.38 119.26 121.35 2k9a h ALA 130 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 130 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k9a h ALA 130 CO 0.03 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.66 2k9a h GLU 131 N 0.00 0.00 -0.10 0.00 4.39 -0.99 -3.05 114.58 114.83 2k9a h GLU 131 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2k9a h GLU 131 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2k9a h GLU 131 CO 0.05 0.00 -0.25 0.87 -1.16 0.00 0.00 179.01 178.51 2k9a h LYS 132 N 0.00 0.18 -0.08 2.33 1.79 -1.27 -0.70 116.57 118.81 2k9a h LYS 132 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2k9a h LYS 132 Cb 0.64 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2k9a h LYS 132 CO 0.00 0.43 0.00 0.39 -1.08 0.00 0.00 179.45 179.19 2k9a n GLU 133 N -4.18 1.86 0.00 3.15 1.02 -1.15 -3.86 120.64 117.48 2k9a n GLU 133 Ca -0.01 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 2k9a n GLU 133 Cb 0.35 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 134 N 1.22 1.47 3.16 0.62 0.00 -0.69 -5.01 105.19 105.96 2k9a n GLY 134 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2k9a n GLY 134 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k9a s ARG 135 N -0.67 0.30 0.00 1.61 3.52 -0.36 -5.04 118.95 118.32 2k9a s ARG 135 Ca 0.00 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2k9a s ARG 135 Cb 0.00 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 2k9a s ARG 135 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76