#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 1.01 -0.27 7.83 1.01 -1.26 -5.14 116.67 119.86 2k9a s ASP 2 Ca 0.00 -0.93 -0.08 0.00 0.71 0.00 0.00 52.55 52.25 2k9a s ASP 2 Cb 0.00 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 44.00 2k9a s ASP 2 CO 0.00 -0.44 0.10 0.00 0.21 0.00 0.00 175.17 175.05 2k9a s ALA 3 N -3.28 3.24 -0.08 5.23 0.00 -1.26 -4.84 121.76 120.77 2k9a s ALA 3 Ca 0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 2k9a s ALA 3 Cb 0.03 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.97 2k9a s ALA 3 CO -0.04 -0.58 0.12 -0.11 0.00 0.00 0.00 175.76 175.14 2k9a n LEU 4 N 4.96 -6.23 -3.63 0.00 7.94 -1.26 -5.08 117.00 113.68 2k9a n LEU 4 Ca -0.15 2.51 -0.15 0.00 -1.11 0.00 0.00 56.01 57.10 2k9a n LEU 4 Cb 0.51 -3.19 -0.07 0.00 0.53 0.00 0.00 43.42 41.20 2k9a n LEU 4 CO 0.32 -3.35 0.22 -1.83 -1.11 0.00 0.00 177.39 171.64 2k9a s GLU 5 N -0.68 0.90 0.00 1.96 1.03 -1.26 -5.08 118.70 115.57 2k9a s GLU 5 Ca -0.14 -0.08 0.00 0.00 0.03 0.00 0.00 54.97 54.79 2k9a s GLU 5 Cb 0.01 0.41 0.00 0.00 -0.80 0.00 0.00 34.13 33.75 2k9a s GLU 5 CO 0.37 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.43 2k9a n GLY 6 N 0.88 -2.65 3.13 -3.83 0.00 -1.26 -5.07 105.19 96.40 2k9a n GLY 6 Ca -0.20 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2k9a n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k9a s GLU 7 N -0.52 3.01 0.37 1.61 2.56 -1.26 -5.06 118.70 119.41 2k9a s GLU 7 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.14 2k9a s GLU 7 Cb 0.00 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.56 2k9a s GLU 7 CO 0.00 -0.18 0.00 0.43 -0.56 0.00 0.00 175.26 174.95 2k9a n SER 8 N 4.55 -8.53 -4.87 -1.70 7.64 -1.26 -4.83 113.62 104.61 2k9a n SER 8 Ca -0.21 1.52 -0.30 0.00 1.01 0.00 0.00 58.87 60.89 2k9a n SER 8 Cb 0.50 -4.28 -0.02 0.00 -1.01 0.00 0.00 64.21 59.40 2k9a n SER 8 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k9a s PHE 9 N -2.17 3.52 -0.22 1.43 0.40 -1.26 -4.72 117.98 114.96 2k9a s PHE 9 Ca 0.00 1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 57.40 2k9a s PHE 9 Cb 0.00 -2.57 0.03 0.00 0.51 0.00 0.00 43.02 41.00 2k9a s PHE 9 CO 0.00 -0.34 0.18 0.00 0.70 0.00 0.00 175.22 175.76 2k9a n ALA 10 N -1.87 -3.59 -2.54 5.36 0.00 -1.26 -5.04 120.51 111.57 2k9a n ALA 10 Ca 0.04 1.86 -0.21 0.00 0.00 0.00 0.00 53.44 55.12 2k9a n ALA 10 Cb 0.54 -3.65 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 2k9a n ALA 10 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k9a s LEU 11 N -0.93 3.65 -0.29 0.00 0.05 -1.26 -5.06 118.68 114.84 2k9a s LEU 11 Ca -0.20 -0.45 0.03 0.00 0.05 0.00 0.00 54.13 53.56 2k9a s LEU 11 Cb 0.01 -2.26 0.18 0.00 -2.05 0.00 0.00 46.19 42.07 2k9a s LEU 11 CO 0.77 -0.33 0.51 -0.44 -0.55 0.00 0.00 176.35 176.32 2k9a s SER 12 N -3.99 -0.73 0.00 1.48 0.01 -1.26 -4.99 113.70 104.21 2k9a s SER 12 Ca 0.40 0.06 0.28 0.00 1.31 0.00 0.00 55.95 58.00 2k9a s SER 12 Cb -0.06 1.65 1.00 0.00 0.21 0.00 0.00 66.02 68.82 2k9a s SER 12 CO 0.27 -0.32 1.72 0.49 0.41 0.00 0.00 173.24 175.81 2k9a n PHE 13 N 5.39 0.00 -3.97 2.43 3.72 -1.26 -4.88 117.46 118.89 2k9a n PHE 13 Ca 0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 2k9a n PHE 13 Cb 0.52 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k9a s SER 14 N -2.11 6.02 0.31 4.37 0.15 -1.26 -4.98 113.70 116.21 2k9a s SER 14 Ca 0.35 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2k9a s SER 14 Cb 0.21 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2k9a s SER 14 CO 0.38 0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.74 2k9a n SER 15 N 0.28 -2.03 0.28 5.45 2.88 -1.26 -4.82 113.62 114.40 2k9a n SER 15 Ca -0.07 0.57 -0.15 0.00 -1.33 0.00 0.00 58.87 57.90 2k9a n SER 15 Cb 0.51 2.03 -0.08 0.00 -0.75 0.00 0.00 64.21 65.92 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a h ALA 16 N 0.00 -0.70 0.00 -1.46 0.00 -1.95 -1.26 119.26 113.89 2k9a h ALA 16 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 16 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k9a h ALA 16 CO 0.00 -0.79 0.00 0.43 0.00 0.00 0.00 179.25 178.89 2k9a n SER 17 N -5.32 0.00 -4.79 0.00 7.64 -1.26 -4.58 113.62 105.31 2k9a n SER 17 Ca -0.11 -1.05 -0.22 0.00 1.01 0.00 0.00 58.87 58.50 2k9a n SER 17 Cb 0.32 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k9a s ASP 18 N -1.77 5.29 0.63 6.43 2.15 -0.99 -5.00 116.67 123.41 2k9a s ASP 18 Ca 0.28 -0.36 0.34 0.00 0.43 0.00 0.00 52.55 53.24 2k9a s ASP 18 Cb 0.13 -1.24 1.93 0.00 -0.30 0.00 0.00 42.92 43.44 2k9a s ASP 18 CO 0.21 -0.06 2.19 0.00 -0.17 0.00 0.00 175.17 177.34 2k9a h ALA 19 N 1.55 1.43 -0.86 3.66 0.00 -1.86 -1.94 119.26 121.24 2k9a h ALA 19 Ca -0.47 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 19 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2k9a h ALA 19 CO 0.61 -0.15 0.56 1.49 0.00 0.00 0.00 179.25 181.75 2k9a h GLU 20 N 0.00 0.81 0.09 0.00 4.81 -1.92 -2.24 114.58 116.14 2k9a h GLU 20 Ca 0.03 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 20 Cb 0.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k9a h GLU 20 CO -0.00 0.54 -0.22 0.35 -0.73 0.00 0.00 179.01 178.94 2k9a h PHE 21 N 0.84 -0.59 -0.86 0.92 3.57 -0.40 -1.76 116.94 118.64 2k9a h PHE 21 Ca 0.40 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.98 2k9a h PHE 21 Cb 0.41 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2k9a h PHE 21 CO -0.00 -0.32 0.56 -0.44 -2.23 0.00 0.00 178.31 175.88 2k9a h ASP 22 N -0.40 0.84 -0.56 0.41 5.19 -1.59 -1.86 116.42 118.44 2k9a h ASP 22 Ca 0.03 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2k9a h ASP 22 Cb 0.44 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 2k9a h ASP 22 CO -0.14 0.53 0.33 0.00 -3.12 0.00 0.00 179.24 176.85 2k9a h ALA 23 N 1.54 0.73 -0.72 3.45 0.00 -0.83 -2.32 119.26 121.11 2k9a h ALA 23 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2k9a h ALA 23 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2k9a h ALA 23 CO -0.14 0.04 0.37 0.28 0.00 0.00 0.00 179.25 179.80 2k9a h VAL 24 N 0.65 1.23 -0.99 0.00 2.07 -0.53 -2.40 116.25 116.28 2k9a h VAL 24 Ca 0.23 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2k9a h VAL 24 Cb 0.05 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 24 CO -0.11 0.26 0.64 0.58 0.02 0.00 0.00 177.57 178.96 2k9a h VAL 25 N 1.01 1.01 -0.16 2.57 2.07 -1.01 -1.72 116.25 120.02 2k9a h VAL 25 Ca 0.25 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2k9a h VAL 25 Cb 0.09 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2k9a h VAL 25 CO -0.04 0.20 -0.01 1.23 0.02 0.00 0.00 177.57 178.98 2k9a h GLY 26 N 1.08 0.31 1.16 2.17 0.00 -1.01 -2.67 103.07 104.10 2k9a h GLY 26 Ca 0.46 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.63 2k9a h GLY 26 CO -0.21 0.21 0.39 -0.97 0.00 0.00 0.00 176.54 175.96 2k9a h TYR 27 N 0.02 0.51 -0.11 5.60 0.05 -1.00 -2.15 116.97 119.89 2k9a h TYR 27 Ca 0.04 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.39 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 2k9a h TYR 27 CO 0.04 0.26 0.01 -0.07 -1.05 0.00 0.00 178.16 177.35 2k9a h LEU 28 N 0.50 0.19 -0.84 3.88 3.38 -1.15 -2.89 115.31 118.38 2k9a h LEU 28 Ca 0.26 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2k9a h LEU 28 Cb 0.37 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2k9a h LEU 28 CO -0.07 0.44 0.48 -0.33 0.09 0.00 0.00 178.44 179.04 2k9a h GLU 29 N -0.06 0.75 -0.34 1.13 5.08 -1.06 0.04 114.58 120.12 2k9a h GLU 29 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k9a h GLU 29 Cb 0.34 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k9a h GLU 29 CO 0.00 0.50 0.13 -0.44 -1.00 0.00 0.00 179.01 178.20 2k9a h ASP 30 N 0.77 0.43 0.10 1.42 3.32 -1.39 -1.71 116.42 119.36 2k9a h ASP 30 Ca 0.42 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 57.19 2k9a h ASP 30 Cb 0.43 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2k9a h ASP 30 CO -0.27 0.40 -0.93 0.40 -1.72 0.00 0.00 179.24 177.12 2k9a h ILE 31 N 0.48 1.32 -0.18 0.35 2.04 -0.85 -2.79 117.51 117.89 2k9a h ILE 31 Ca 0.12 -2.24 -0.07 0.00 1.00 0.00 0.00 64.86 63.67 2k9a h ILE 31 Cb 0.11 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2k9a h ILE 31 CO -0.01 0.69 -0.22 0.40 0.00 0.00 0.00 178.15 179.01 2k9a h ILE 32 N 0.37 1.23 -0.47 -0.67 2.04 -0.70 -2.18 117.51 117.13 2k9a h ILE 32 Ca -0.09 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2k9a h ILE 32 Cb 1.56 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2k9a h ILE 32 CO 0.18 0.33 0.00 0.23 0.00 0.00 0.00 178.15 178.89 2k9a n MET 33 N -4.18 2.13 -2.72 2.37 2.81 -0.69 -4.70 117.12 112.14 2k9a n MET 33 Ca -0.01 -1.75 -0.40 0.00 -1.81 0.00 0.00 57.70 53.73 2k9a n MET 33 Cb 0.35 -1.39 -0.05 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.05 7.56 0.14 7.83 -1.08 -0.82 -4.97 116.67 124.29 2k9a s ASP 34 Ca 0.33 1.91 -0.18 0.00 -0.52 0.00 0.00 52.55 54.10 2k9a s ASP 34 Cb 0.17 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 2k9a s ASP 34 CO 0.23 0.05 1.75 -0.78 0.52 0.00 0.00 175.17 176.94 2k9a h ASP 35 N 4.68 0.13 0.01 -0.34 3.58 -1.91 -1.38 116.42 121.18 2k9a h ASP 35 Ca -0.44 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 2k9a h ASP 35 Cb 1.20 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k9a h ASP 35 CO 0.69 0.11 -0.00 1.05 -2.88 0.00 0.00 179.24 178.21 2k9a h GLU 36 N 0.24 0.00 0.06 0.28 4.11 -1.93 -1.64 114.58 115.70 2k9a h GLU 36 Ca 0.13 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.30 2k9a h GLU 36 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k9a h GLU 36 CO -0.13 0.00 -1.10 0.35 0.07 0.00 0.00 179.01 178.21 2k9a h PHE 37 N 0.00 0.73 -0.10 2.06 3.57 -1.54 -2.55 116.94 119.12 2k9a h PHE 37 Ca -0.00 -0.44 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 2k9a h PHE 37 Cb 0.01 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2k9a h PHE 37 CO 0.00 1.29 -0.02 1.96 -2.23 0.00 0.00 178.31 179.31 2k9a h GLN 38 N 0.22 0.19 -0.69 1.11 4.20 -0.49 -1.36 115.11 118.30 2k9a h GLN 38 Ca -0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 2k9a h GLN 38 Cb 1.77 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.50 2k9a h GLN 38 CO 0.20 0.49 0.33 1.25 -0.67 0.00 0.00 178.83 180.43 2k9a h LEU 39 N -0.12 0.91 0.20 1.46 5.85 -1.47 -2.23 115.31 119.90 2k9a h LEU 39 Ca 0.03 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2k9a h LEU 39 Cb 0.42 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k9a h LEU 39 CO 0.01 0.78 -0.10 0.25 -0.34 0.00 0.00 178.44 179.05 2k9a h LEU 40 N 0.96 -0.23 -0.06 2.25 6.46 -1.42 -0.85 115.31 122.42 2k9a h LEU 40 Ca 0.24 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2k9a h LEU 40 Cb 0.12 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 2k9a h LEU 40 CO -0.03 0.01 -0.21 -0.61 -0.62 0.00 0.00 178.44 176.98 2k9a h GLN 41 N -0.47 -0.30 -0.17 1.25 4.15 -1.18 -1.79 115.11 116.60 2k9a h GLN 41 Ca -0.03 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2k9a h GLN 41 Cb 0.36 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2k9a h GLN 41 CO 0.05 -0.20 -0.08 0.00 -1.93 0.00 0.00 178.83 176.67 2k9a h ARG 42 N -0.31 0.26 -0.11 1.69 3.08 -1.43 -0.59 114.38 116.97 2k9a h ARG 42 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2k9a h ARG 42 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2k9a h ARG 42 CO -0.23 0.35 0.06 -0.97 -1.07 0.00 0.00 179.97 178.11 2k9a h ASN 43 N 0.25 0.10 0.25 7.04 -0.73 -0.30 -1.75 115.58 120.44 2k9a h ASN 43 Ca 0.05 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.92 2k9a h ASN 43 Cb 0.30 -0.02 0.03 0.00 0.27 0.00 0.00 38.32 38.90 2k9a h ASN 43 CO 0.01 0.07 -1.32 -0.26 -0.37 0.00 0.00 177.43 175.57 2k9a h PHE 44 N 0.13 0.92 -0.04 0.67 0.04 -1.27 -3.23 116.94 114.16 2k9a h PHE 44 Ca 0.04 -0.62 0.01 0.00 2.80 0.00 0.00 57.97 60.20 2k9a h PHE 44 Cb -0.00 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 2k9a h PHE 44 CO -0.08 1.47 0.04 0.52 -0.60 0.00 0.00 178.31 179.66 2k9a h MET 45 N 0.20 0.00 -0.10 1.51 2.86 -1.06 -0.57 114.93 117.77 2k9a h MET 45 Ca -0.20 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2k9a h MET 45 Cb 2.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 2k9a h MET 45 CO 0.24 0.00 0.07 0.22 1.06 0.00 0.00 176.91 178.50 2k9a h ASP 46 N 0.00 0.04 0.00 1.22 3.58 -1.33 -0.49 116.42 119.44 2k9a h ASP 46 Ca 0.02 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 2k9a h ASP 46 Cb 0.10 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2k9a h ASP 46 CO -0.00 0.03 -0.98 0.50 -2.88 0.00 0.00 179.24 175.91 2k9a h LYS 47 N 0.04 0.00 0.01 0.28 1.63 -1.29 -3.34 116.57 113.91 2k9a h LYS 47 Ca 0.04 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2k9a h LYS 47 Cb 0.12 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 2k9a h LYS 47 CO -0.00 0.74 -0.19 1.88 -3.45 0.00 0.00 179.45 178.43 2k9a h TYR 48 N -1.00 -0.50 -0.16 1.91 -1.99 -1.39 0.23 116.97 114.06 2k9a h TYR 48 Ca -0.24 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.55 2k9a h TYR 48 Cb 1.07 0.22 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 2k9a h TYR 48 CO 0.03 -0.27 0.13 0.10 -0.00 0.00 0.00 178.16 178.15 2k9a h TYR 49 N -0.32 0.00 0.22 4.88 -0.00 -1.31 0.69 116.97 121.14 2k9a h TYR 49 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.44 2k9a h TYR 49 Cb 0.38 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.14 2k9a h TYR 49 CO -0.23 0.00 -1.62 1.37 -0.00 0.00 0.00 178.16 177.67 2k9a h LEU 50 N 0.00 0.74 -0.18 0.10 8.10 -1.46 -3.36 115.31 119.26 2k9a h LEU 50 Ca 0.08 -0.93 -0.22 0.00 0.11 0.00 0.00 57.88 56.92 2k9a h LEU 50 Cb 0.34 -0.24 0.01 0.00 -0.44 0.00 0.00 40.66 40.33 2k9a h LEU 50 CO -0.00 1.75 -0.83 1.05 -4.11 0.00 0.00 178.44 176.31 2k9a h GLU 51 N 0.13 0.69 -5.66 0.17 4.11 -0.49 -3.41 114.58 110.13 2k9a h GLU 51 Ca -0.30 -0.60 -0.28 0.00 0.07 0.00 0.00 59.36 58.25 2k9a h GLU 51 Cb 2.14 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.50 2k9a h GLU 51 CO 0.23 1.21 0.78 -0.06 0.07 0.00 0.00 179.01 181.23 2k9a s PHE 52 N -3.62 1.50 -0.00 2.06 0.40 0.19 -4.93 117.98 113.58 2k9a s PHE 52 Ca -0.09 1.15 0.03 0.00 -0.60 0.00 0.00 56.93 57.42 2k9a s PHE 52 Cb 0.09 -3.83 -0.03 0.00 0.51 0.00 0.00 43.02 39.75 2k9a s PHE 52 CO 0.89 -1.91 -0.06 -2.00 0.70 0.00 0.00 175.22 172.85 2k9a s GLU 53 N 7.69 2.59 -0.44 0.44 2.12 -1.26 -4.85 118.70 124.99 2k9a s GLU 53 Ca 0.79 -0.70 -0.28 0.00 0.36 0.00 0.00 54.97 55.14 2k9a s GLU 53 Cb -0.11 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 2k9a s GLU 53 CO 0.09 0.61 1.68 0.34 -0.54 0.00 0.00 175.26 177.44 2k9a s ASP 54 N -1.38 5.87 0.36 -1.70 2.15 -1.26 -4.96 116.67 115.75 2k9a s ASP 54 Ca 0.17 0.86 0.02 0.00 0.43 0.00 0.00 52.55 54.03 2k9a s ASP 54 Cb -0.11 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.97 2k9a s ASP 54 CO 0.07 -1.80 0.08 0.35 -0.17 0.00 0.00 175.17 173.70 2k9a n THR 55 N 7.23 0.00 0.04 1.71 -2.24 -1.26 -5.07 114.28 114.69 2k9a n THR 55 Ca 0.20 -1.97 0.06 0.00 -2.27 0.00 0.00 64.05 60.07 2k9a n THR 55 Cb 0.49 0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.85 0.59 -4.44 -0.78 0.28 -1.26 -4.97 120.64 109.21 2k9a n GLU 56 Ca -0.09 -0.10 -0.34 0.00 -0.16 0.00 0.00 57.16 56.47 2k9a n GLU 56 Cb 0.51 -1.27 -0.12 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.79 3.41 0.58 3.44 2.02 -1.26 -5.11 118.70 118.98 2k9a s GLU 57 Ca -0.04 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 2k9a s GLU 57 Cb 0.08 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 2k9a s GLU 57 CO 0.51 0.39 0.99 0.54 0.02 0.00 0.00 175.26 177.70 2k9a s ASN 58 N -0.04 6.31 0.13 -0.19 2.20 -1.26 -5.09 114.94 117.00 2k9a s ASN 58 Ca 0.01 1.38 0.05 0.00 -0.94 0.00 0.00 52.86 53.37 2k9a s ASN 58 Cb -0.13 -2.45 -0.04 0.00 -2.00 0.00 0.00 41.25 36.63 2k9a s ASN 58 CO 0.03 -0.78 -0.13 -0.54 -2.94 0.00 0.00 177.10 172.74 2k9a s LYS 59 N -4.90 1.02 0.12 3.55 1.02 -1.26 -5.03 119.74 114.26 2k9a s LYS 59 Ca 0.55 -1.28 0.27 0.00 0.02 0.00 0.00 55.97 55.53 2k9a s LYS 59 Cb -0.11 -0.82 0.96 0.00 -0.52 0.00 0.00 37.83 37.34 2k9a s LYS 59 CO 0.48 0.15 1.81 -0.11 -0.92 0.00 0.00 175.35 176.77 2k9a n LEU 60 N 0.37 0.48 0.18 3.17 7.94 -1.26 -3.37 117.00 124.51 2k9a n LEU 60 Ca -0.14 0.52 0.14 0.00 -1.11 0.00 0.00 56.01 55.42 2k9a n LEU 60 Cb 0.58 -0.39 0.60 0.00 0.53 0.00 0.00 43.42 44.74 2k9a n LEU 60 CO 0.28 -0.10 0.91 -0.29 -1.11 0.00 0.00 177.39 177.08 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.03 -2.47 117.51 121.07 2k9a h ILE 61 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2k9a h ILE 61 Cb 0.64 1.03 0.00 0.00 0.47 0.00 0.00 36.82 38.96 2k9a h ILE 61 CO 0.00 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.96 2k9a h TYR 62 N 0.00 0.00 0.10 2.19 0.05 -1.99 -2.81 116.97 114.50 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 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2k9a h TYR 62 CO 0.00 0.00 -0.05 1.15 -1.05 0.00 0.00 178.16 178.21 2k9a h THR 63 N 0.00 1.06 -0.63 -2.88 2.02 -1.70 -2.56 112.91 108.22 2k9a h THR 63 Ca 0.00 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.80 2k9a h THR 63 Cb 0.50 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 2k9a h THR 63 CO 0.00 0.29 0.22 1.55 0.37 0.00 0.00 175.52 177.95 2k9a h PRO 64 N -0.83 0.96 -0.67 6.66 0.13 -1.72 -2.19 132.00 134.35 2k9a h PRO 64 Ca -0.01 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 64.94 2k9a h PRO 64 Cb 0.58 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 2k9a h PRO 64 CO 0.02 0.84 0.42 0.82 -0.23 0.00 0.00 178.00 179.87 2k9a h ILE 65 N 0.89 1.11 -0.74 -3.56 2.04 -1.61 -1.78 117.51 113.86 2k9a h ILE 65 Ca 0.21 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2k9a h ILE 65 Cb 0.26 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2k9a h ILE 65 CO -0.01 0.15 0.36 0.15 0.00 0.00 0.00 178.15 178.80 2k9a h PHE 66 N 0.84 1.06 0.00 1.37 3.57 -1.26 -1.85 116.94 120.67 2k9a h PHE 66 Ca 0.26 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 66 Cb -0.02 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.39 2k9a h PHE 66 CO -0.04 0.78 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.82 2k9a h ASN 67 N 1.04 0.00 -0.12 0.41 2.35 -0.75 -2.29 115.58 116.22 2k9a h ASN 67 Ca 0.25 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 2k9a h ASN 67 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2k9a h ASN 67 CO -0.03 0.09 -0.55 -0.08 -1.65 0.00 0.00 177.43 175.20 2k9a h GLU 68 N 0.00 0.59 -0.52 0.81 4.57 -0.52 -1.41 114.58 118.09 2k9a h GLU 68 Ca -0.00 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 2k9a h GLU 68 Cb 0.18 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2k9a h GLU 68 CO 0.01 1.09 0.23 -0.92 -1.18 0.00 0.00 179.01 178.25 2k9a h TYR 69 N 0.22 0.73 0.05 0.92 3.20 -1.03 0.14 116.97 121.20 2k9a h TYR 69 Ca -0.04 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k9a h TYR 69 Cb 1.19 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2k9a h TYR 69 CO 0.11 0.55 -0.03 0.82 -1.64 0.00 0.00 178.16 177.97 2k9a h ILE 70 N 0.73 1.29 -0.10 1.81 1.08 -1.43 0.16 117.51 121.05 2k9a h ILE 70 Ca 0.18 -1.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 2k9a h ILE 70 Cb 0.10 2.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 2k9a h ILE 70 CO -0.02 0.35 0.02 -1.28 -0.69 0.00 0.00 178.15 176.53 2k9a h SER 71 N -0.77 0.12 0.00 1.72 0.87 -1.13 -0.09 113.55 114.27 2k9a h SER 71 Ca -0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k9a h SER 71 Cb 0.63 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2k9a h SER 71 CO 0.01 0.13 -0.31 -0.11 -0.53 0.00 0.00 176.83 176.03 2k9a n LEU 72 N -4.48 1.10 0.13 2.23 -0.00 0.02 -4.16 117.00 111.84 2k9a n LEU 72 Ca -0.01 0.49 -0.07 0.00 -0.00 0.00 0.00 56.01 56.41 2k9a n LEU 72 Cb 0.12 -0.73 -0.04 0.00 -0.00 0.00 0.00 43.42 42.78 2k9a n LEU 72 CO 0.35 -0.49 0.19 0.58 -0.00 0.00 0.00 177.39 178.02 2k9a h VAL 73 N -0.61 0.08 -0.90 1.96 2.07 -0.77 -1.68 116.25 116.40 2k9a h VAL 73 Ca 0.00 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 66.95 2k9a h VAL 73 Cb 0.31 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 2k9a h VAL 73 CO 0.00 0.02 0.49 -0.08 0.02 0.00 0.00 177.57 178.02 2k9a h GLU 74 N -1.09 0.65 0.00 1.57 4.22 -1.01 0.15 114.58 119.06 2k9a h GLU 74 Ca -0.04 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.24 2k9a h GLU 74 Cb 0.35 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k9a h GLU 74 CO 0.07 0.43 -0.59 0.87 -2.18 0.00 0.00 179.01 177.61 2k9a h LYS 75 N 0.67 0.00 -0.81 1.92 1.57 -1.16 -2.83 116.57 115.92 2k9a h LYS 75 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2k9a h LYS 75 Cb 0.72 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2k9a h LYS 75 CO -0.37 0.59 0.53 -0.92 -0.57 0.00 0.00 179.45 178.70 2k9a h TYR 76 N 0.00 1.04 -0.10 -1.35 3.20 0.28 0.11 116.97 120.15 2k9a h TYR 76 Ca -0.01 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2k9a h TYR 76 Cb 1.16 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2k9a h TYR 76 CO 0.00 0.67 -0.27 0.82 -1.64 0.00 0.00 178.16 177.74 2k9a h ILE 77 N 1.11 1.40 -0.04 1.81 2.04 -1.40 -2.68 117.51 119.74 2k9a h ILE 77 Ca 0.30 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.57 2k9a h ILE 77 Cb -0.10 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2k9a h ILE 77 CO -0.06 0.46 -0.04 -0.08 0.00 0.00 0.00 178.15 178.43 2k9a h GLU 78 N -0.11 -0.05 -0.05 2.37 4.81 -1.30 -1.92 114.58 118.33 2k9a h GLU 78 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 78 Cb 0.88 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k9a h GLU 78 CO 0.06 -0.03 0.03 0.93 -0.73 0.00 0.00 179.01 179.26 2k9a h GLU 79 N -0.05 0.07 -0.37 1.92 5.08 -1.07 -1.44 114.58 118.73 2k9a h GLU 79 Ca 0.03 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2k9a h GLU 79 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k9a h GLU 79 CO -0.07 0.13 0.25 1.96 -1.00 0.00 0.00 179.01 180.28 2k9a h GLN 80 N -0.01 0.25 0.03 2.33 1.08 -1.39 -1.20 115.11 116.19 2k9a h GLN 80 Ca 0.02 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 2k9a h GLN 80 Cb 0.08 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2k9a h GLN 80 CO -0.00 0.16 -1.00 -0.07 -0.95 0.00 0.00 178.83 176.97 2k9a h LEU 81 N 0.25 0.46 -1.46 1.46 3.38 -1.01 -3.19 115.31 115.20 2k9a h LEU 81 Ca 0.16 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2k9a h LEU 81 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k9a h LEU 81 CO -0.03 1.22 -0.20 -0.07 0.09 0.00 0.00 178.44 179.44 2k9a h LEU 82 N 0.17 0.00 -2.72 1.67 3.38 -0.15 -0.58 115.31 117.08 2k9a h LEU 82 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k9a h LEU 82 Cb 1.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2k9a h LEU 82 CO 0.17 0.20 0.05 1.56 0.09 0.00 0.00 178.44 180.51 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.37 -2.86 115.11 113.09 2k9a h GLN 83 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2k9a h GLN 83 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2k9a h GLN 83 CO 0.03 0.00 -1.23 0.54 -0.95 0.00 0.00 178.83 177.21 2k9a n ARG 84 N -3.29 3.41 -3.78 1.46 1.74 -1.00 -4.90 116.66 110.30 2k9a n ARG 84 Ca -0.03 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.12 -1.09 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.08 1.75 -1.52 0.55 1.01 -0.26 -4.95 121.20 115.70 2k9a s ILE 85 Ca -0.02 -2.82 0.12 0.00 0.00 0.00 0.00 60.65 57.94 2k9a s ILE 85 Cb 0.01 -2.22 0.24 0.00 0.01 0.00 0.00 42.46 40.50 2k9a s ILE 85 CO 0.14 -0.88 1.28 -0.81 0.00 0.00 0.00 174.94 174.67 2k9a n PRO 86 N 3.37 0.21 -0.16 2.79 -0.04 -1.16 -1.50 135.00 138.50 2k9a n PRO 86 Ca 0.08 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.74 2k9a n PRO 86 Cb 0.34 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.44 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -1.24 2.89 -2.37 0.54 1.02 -1.26 -5.01 120.64 115.20 2k9a n GLU 87 Ca 0.06 -1.99 -0.40 0.00 -0.02 0.00 0.00 57.16 54.81 2k9a n GLU 87 Cb 0.09 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -1.01 3.43 -0.41 -0.32 5.36 -0.56 -5.02 117.98 119.45 2k9a s PHE 88 Ca 0.21 1.60 0.03 0.00 -0.96 0.00 0.00 56.93 57.81 2k9a s PHE 88 Cb 0.11 -3.40 0.12 0.00 -0.34 0.00 0.00 43.02 39.51 2k9a s PHE 88 CO 0.14 -0.94 0.17 1.21 -1.46 0.00 0.00 175.22 174.34 2k9a s ASN 89 N -0.69 4.17 0.59 6.13 3.84 -1.26 -4.96 114.94 122.75 2k9a s ASN 89 Ca 0.46 -2.43 0.29 0.00 0.21 0.00 0.00 52.86 51.39 2k9a s ASN 89 Cb -0.34 -1.30 1.75 0.00 -0.55 0.00 0.00 41.25 40.80 2k9a s ASN 89 CO 0.44 -0.31 2.20 -0.03 -2.79 0.00 0.00 177.10 176.60 2k9a h MET 90 N 7.14 0.00 0.56 0.43 1.85 -1.96 -0.86 114.93 122.09 2k9a h MET 90 Ca -0.06 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 2k9a h MET 90 Cb 0.96 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.99 2k9a h MET 90 CO 0.54 0.00 -0.27 0.00 -0.40 0.00 0.00 176.91 176.78 2k9a h ALA 91 N 1.92 -0.75 0.00 0.39 0.00 -2.00 -1.03 119.26 117.78 2k9a h ALA 91 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 91 Cb 0.17 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k9a h ALA 91 CO -0.00 -0.82 -0.49 0.00 0.00 0.00 0.00 179.25 177.93 2k9a h ALA 92 N -0.64 1.06 -0.06 0.00 0.00 -1.93 -2.83 119.26 114.87 2k9a h ALA 92 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2k9a h ALA 92 Cb 0.64 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k9a h ALA 92 CO 0.13 0.61 -0.01 0.35 0.00 0.00 0.00 179.25 180.33 2k9a h PHE 93 N 0.00 0.13 -0.08 0.00 3.57 -1.13 -2.45 116.94 116.98 2k9a h PHE 93 Ca -0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 93 Cb 0.94 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2k9a h PHE 93 CO 0.00 0.44 0.04 1.79 -2.23 0.00 0.00 178.31 178.34 2k9a h THR 94 N -0.22 1.12 -0.97 4.41 1.35 -1.19 0.65 112.91 118.07 2k9a h THR 94 Ca 0.02 -0.36 0.11 0.00 -0.55 0.00 0.00 66.41 65.62 2k9a h THR 94 Cb 0.39 1.22 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 2k9a h THR 94 CO 0.01 0.11 0.62 0.74 -0.25 0.00 0.00 175.52 176.74 2k9a h THR 95 N -0.01 0.94 0.00 6.82 2.02 -1.55 -0.71 112.91 120.43 2k9a h THR 95 Ca 0.03 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.70 2k9a h THR 95 Cb 0.14 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2k9a h THR 95 CO -0.00 0.18 -0.84 0.74 0.37 0.00 0.00 175.52 175.96 2k9a h THR 96 N 0.97 1.58 -0.69 3.16 2.02 -1.20 -3.22 112.91 115.52 2k9a h THR 96 Ca 0.47 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.84 2k9a h THR 96 Cb 0.45 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 2k9a h THR 96 CO -0.23 0.81 0.44 0.25 0.37 0.00 0.00 175.52 177.16 2k9a h LEU 97 N 0.02 0.81 -0.83 2.58 6.46 0.65 -2.32 115.31 122.69 2k9a h LEU 97 Ca -0.02 -0.03 0.16 0.00 -0.12 0.00 0.00 57.88 57.87 2k9a h LEU 97 Cb 1.48 -0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 41.11 2k9a h LEU 97 CO 0.11 0.60 0.38 1.56 -0.62 0.00 0.00 178.44 180.48 2k9a h GLN 98 N 0.95 0.50 0.01 1.25 4.20 -1.45 0.31 115.11 120.88 2k9a h GLN 98 Ca 0.25 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 98 Cb -0.08 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.61 2k9a h GLN 98 CO -0.05 0.33 -0.89 0.45 -0.67 0.00 0.00 178.83 178.00 2k9a h HIS 99 N 0.51 0.88 0.00 2.96 3.86 -1.63 -3.08 115.15 118.65 2k9a h HIS 99 Ca 0.47 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2k9a h HIS 99 Cb 0.73 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2k9a h HIS 99 CO -0.13 1.32 0.00 0.72 0.86 0.00 0.00 177.93 180.70 2k9a n HIS 100 N -3.99 0.00 0.31 2.45 8.25 -0.49 -2.66 115.22 119.09 2k9a n HIS 100 Ca -0.11 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.55 2k9a n HIS 100 Cb 0.81 -0.08 0.97 0.00 1.12 0.00 0.00 29.99 32.82 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 -0.34 -0.33 116.57 119.13 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k9a h LYS 101 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k9a h LYS 101 CO 0.00 0.00 0.00 0.22 -2.27 0.00 0.00 179.45 177.40 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.74 -3.37 116.42 119.08 2k9a h ASP 102 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2k9a h ASP 102 Cb 0.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2k9a h ASP 102 CO 0.00 0.00 -0.87 -0.62 -2.88 0.00 0.00 179.24 174.87 2k9a n GLU 103 N -2.39 0.45 -0.56 0.28 -0.58 -0.23 -5.03 120.64 112.58 2k9a n GLU 103 Ca 0.05 0.18 -0.31 0.00 -0.42 0.00 0.00 57.16 56.66 2k9a n GLU 103 Cb 0.41 -1.29 0.28 0.00 -0.57 0.00 0.00 31.44 30.27 2k9a n GLU 103 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2k9a s VAL 104 N -2.77 1.20 -0.43 2.62 -7.23 -0.60 -4.88 120.40 108.31 2k9a s VAL 104 Ca -0.25 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.64 2k9a s VAL 104 Cb 0.04 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 2k9a s VAL 104 CO 0.36 0.00 1.57 0.00 -0.31 0.00 0.00 175.10 176.73 2k9a s ALA 105 N -2.48 2.87 0.42 1.32 0.00 -1.26 -4.87 121.76 117.77 2k9a s ALA 105 Ca 0.70 -0.17 0.13 0.00 0.00 0.00 0.00 51.96 52.62 2k9a s ALA 105 Cb -0.10 -4.03 0.91 0.00 0.00 0.00 0.00 23.12 19.91 2k9a s ALA 105 CO 0.56 -2.70 1.96 0.78 0.00 0.00 0.00 175.76 176.36 2k9a h GLY 106 N 13.20 0.08 1.39 0.00 0.00 -1.90 -2.52 103.07 113.32 2k9a h GLY 106 Ca -0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2k9a h GLY 106 CO 1.10 0.05 0.04 1.29 0.00 0.00 0.00 176.54 179.01 2k9a h ASP 107 N 0.07 0.71 -0.00 0.19 2.03 -1.95 0.31 116.42 117.79 2k9a h ASP 107 Ca 0.01 -0.15 -0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2k9a h ASP 107 Cb 0.36 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2k9a h ASP 107 CO 0.02 0.76 -0.01 0.40 -1.03 0.00 0.00 179.24 179.39 2k9a h ILE 108 N 0.71 1.53 0.00 4.15 2.04 -1.87 -3.23 117.51 120.85 2k9a h ILE 108 Ca 0.15 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 2k9a h ILE 108 Cb 0.38 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2k9a h ILE 108 CO 0.01 0.41 -0.22 0.15 0.00 0.00 0.00 178.15 178.50 2k9a h PHE 109 N -0.66 0.00 -1.11 1.37 3.57 -1.46 -2.72 116.94 115.93 2k9a h PHE 109 Ca -0.00 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.68 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 2k9a h PHE 109 CO 0.16 0.22 0.86 0.22 -2.23 0.00 0.00 178.31 177.54 2k9a h ASP 110 N 0.00 0.00 0.08 0.41 1.82 -0.94 0.61 116.42 118.41 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2k9a h ASP 110 CO 0.03 0.00 -0.04 -0.03 -1.61 0.00 0.00 179.24 177.59 2k9a h MET 111 N 0.00 -0.11 0.00 0.28 4.05 -1.64 -3.16 114.93 114.36 2k9a h MET 111 Ca 0.53 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.23 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.06 2k9a h MET 111 CO -0.01 0.41 -0.07 -0.07 0.23 0.00 0.00 176.91 177.40 2k9a h LEU 112 N -0.72 0.00 -1.93 3.39 3.38 -0.62 -2.82 115.31 115.99 2k9a h LEU 112 Ca -0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2k9a h LEU 112 CO 0.02 0.07 0.62 0.25 0.09 0.00 0.00 178.44 179.49 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.06 0.25 115.31 123.14 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 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 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 -4.00 0.62 0.23 1.05 -2.24 -1.06 -2.04 114.28 106.83 2k9a n THR 114 Ca 0.15 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 2k9a n THR 114 Cb 0.88 -1.10 0.55 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.00 0.00 4.78 0.04 -0.75 -3.37 116.94 117.63 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2k9a h PHE 115 CO 0.00 0.22 -0.92 0.25 -0.60 0.00 0.00 178.31 177.27 2k9a n THR 116 N -3.74 0.00 -2.69 -1.55 -2.24 -0.87 -4.94 114.28 98.25 2k9a n THR 116 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2k9a n THR 116 Cb 0.33 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 2k9a n THR 116 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2k9a s ASP 117 N -4.54 6.46 0.46 3.42 -4.77 -1.10 -4.83 116.67 111.77 2k9a s ASP 117 Ca 0.00 -1.44 0.13 0.00 -3.30 0.00 0.00 52.55 47.94 2k9a s ASP 117 Cb 0.00 -2.50 1.05 0.00 -1.09 0.00 0.00 42.92 40.38 2k9a s ASP 117 CO 0.00 -1.42 2.05 0.15 0.70 0.00 0.00 175.17 176.65 2k9a h PHE 118 N 9.53 0.12 -0.80 2.11 3.57 -1.89 -1.72 116.94 127.86 2k9a h PHE 118 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2k9a h PHE 118 Cb 1.03 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 2k9a h PHE 118 CO 1.19 0.16 0.53 -0.07 -2.23 0.00 0.00 178.31 177.89 2k9a h LEU 119 N 0.12 0.88 -0.40 0.59 4.07 -1.95 -0.68 115.31 117.93 2k9a h LEU 119 Ca 0.03 -0.02 -0.18 0.00 0.08 0.00 0.00 57.88 57.79 2k9a h LEU 119 Cb 0.14 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2k9a h LEU 119 CO 0.01 0.62 -0.79 0.00 -1.08 0.00 0.00 178.44 177.19 2k9a h ALA 120 N 1.52 0.63 0.38 1.53 0.00 -1.72 -2.01 119.26 119.59 2k9a h ALA 120 Ca 0.31 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 120 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 120 CO -0.08 0.87 -0.18 0.35 0.00 0.00 0.00 179.25 180.21 2k9a h PHE 121 N 0.11 -0.47 -0.41 0.00 3.57 -0.85 0.08 116.94 118.97 2k9a h PHE 121 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 121 Cb 1.38 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 2k9a h PHE 121 CO 0.02 -0.20 0.18 -0.22 -2.23 0.00 0.00 178.31 175.86 2k9a h LYS 122 N -0.67 0.61 -0.09 1.11 3.64 -1.24 -2.14 116.57 117.79 2k9a h LYS 122 Ca -0.05 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2k9a h LYS 122 Cb 0.48 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2k9a h LYS 122 CO 0.09 0.55 0.06 1.49 -2.27 0.00 0.00 179.45 179.37 2k9a h GLU 123 N 0.53 0.06 -0.33 1.90 4.81 -1.32 -1.82 114.58 118.41 2k9a h GLU 123 Ca 0.14 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2k9a h GLU 123 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2k9a h GLU 123 CO -0.01 0.04 0.02 1.98 -0.73 0.00 0.00 179.01 180.31 2k9a h MET 124 N 0.06 0.56 -0.58 1.92 4.05 -0.30 -2.52 114.93 118.12 2k9a h MET 124 Ca 0.04 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 2k9a h MET 124 Cb 0.08 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 2k9a h MET 124 CO -0.00 0.67 0.22 0.74 0.23 0.00 0.00 176.91 178.77 2k9a h PHE 125 N 0.38 0.89 -0.96 1.39 0.04 -1.08 -1.28 116.94 116.31 2k9a h PHE 125 Ca 0.10 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.83 2k9a h PHE 125 Cb 0.40 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 2k9a h PHE 125 CO 0.03 0.72 0.63 -0.07 -0.60 0.00 0.00 178.31 179.02 2k9a h LEU 126 N 0.80 1.04 -0.03 1.54 4.07 -1.34 -0.39 115.31 121.01 2k9a h LEU 126 Ca 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2k9a h LEU 126 Cb 0.22 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 2k9a h LEU 126 CO -0.01 0.71 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.25 2k9a h ASP 127 N 1.21 0.07 -0.60 -0.43 1.82 -1.19 -1.06 116.42 116.24 2k9a h ASP 127 Ca 0.39 -0.48 0.09 0.00 -0.39 0.00 0.00 57.03 56.64 2k9a h ASP 127 Cb 0.02 -0.02 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 2k9a h ASP 127 CO -0.13 0.53 0.23 0.22 -1.61 0.00 0.00 179.24 178.48 2k9a h TYR 128 N -0.40 0.40 -0.40 0.28 3.20 -0.95 -1.86 116.97 117.24 2k9a h TYR 128 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2k9a h TYR 128 Cb 0.51 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2k9a h TYR 128 CO 0.09 0.11 -0.07 -0.09 -1.64 0.00 0.00 178.16 176.56 2k9a h ARG 129 N 0.41 0.75 -0.87 1.82 2.43 -1.09 -2.88 114.38 114.96 2k9a h ARG 129 Ca 0.30 -0.27 0.22 0.00 -0.81 0.00 0.00 59.98 59.41 2k9a h ARG 129 Cb 0.36 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2k9a h ARG 129 CO -0.29 0.87 0.59 0.00 -1.51 0.00 0.00 179.97 179.63 2k9a h ALA 130 N 0.86 2.41 -0.21 2.80 0.00 -0.38 -0.54 119.26 124.20 2k9a h ALA 130 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k9a h ALA 130 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k9a h ALA 130 CO 0.03 -0.68 0.09 0.93 0.00 0.00 0.00 179.25 179.63 2k9a h GLU 131 N 0.26 0.20 0.00 0.00 4.39 -1.20 0.27 114.58 118.49 2k9a h GLU 131 Ca 0.44 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 2k9a h GLU 131 Cb 1.31 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2k9a h GLU 131 CO -0.12 0.13 -0.17 0.87 -1.16 0.00 0.00 179.01 178.57 2k9a h LYS 132 N 0.20 0.00 -0.50 2.33 6.56 -1.21 -1.97 116.57 121.99 2k9a h LYS 132 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2k9a h LYS 132 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2k9a h LYS 132 CO -0.07 0.17 0.00 0.39 -2.06 0.00 0.00 179.45 177.88 2k9a n GLU 133 N -3.50 2.51 -0.26 3.15 1.02 -0.73 -4.10 120.64 118.73 2k9a n GLU 133 Ca -0.01 -2.30 0.11 0.00 -0.02 0.00 0.00 57.16 54.94 2k9a n GLU 133 Cb 0.33 -1.52 0.25 0.00 -0.02 0.00 0.00 31.44 30.48 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 1.53 2.07 0.00 0.62 0.00 0.87 -4.16 105.19 106.11 2k9a n GLY 134 Ca 0.21 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2k9a n GLY 134 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k9a n ARG 135 N 1.48 -0.41 0.00 1.61 1.85 -1.25 -5.06 116.66 114.89 2k9a n ARG 135 Ca 0.21 -0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 2k9a n ARG 135 Cb 0.60 -0.90 0.00 0.00 -1.05 0.00 0.00 32.46 31.10 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03