#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 0.00 -4.77 7.83 -0.08 -1.26 -5.11 116.55 113.16 2k9a n ASP 2 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 2k9a n ASP 2 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a s ALA 3 N 0.00 3.62 -0.00 -1.67 0.00 -1.26 -4.91 121.76 117.54 2k9a s ALA 3 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2k9a s ALA 3 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 2k9a s ALA 3 CO 0.00 -0.95 0.00 -0.11 0.00 0.00 0.00 175.76 174.70 2k9a n LEU 4 N 1.25 0.00 -4.81 0.00 7.94 -1.26 -5.05 117.00 115.07 2k9a n LEU 4 Ca 0.04 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.62 2k9a n LEU 4 Cb 0.39 0.01 0.04 0.00 0.53 0.00 0.00 43.42 44.38 2k9a n LEU 4 CO 0.63 0.01 0.71 -1.61 -1.11 0.00 0.00 177.39 176.01 2k9a s GLU 5 N -2.01 3.05 -0.08 1.96 2.02 -1.26 -5.00 118.70 117.39 2k9a s GLU 5 Ca -0.00 1.04 0.04 0.00 0.02 0.00 0.00 54.97 56.07 2k9a s GLU 5 Cb 0.00 -2.00 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 2k9a s GLU 5 CO 0.01 -1.01 -0.02 0.41 0.02 0.00 0.00 175.26 174.67 2k9a n GLY 6 N -1.63 -0.24 3.29 -1.39 0.00 -1.26 -5.03 105.19 98.93 2k9a n GLY 6 Ca 0.08 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.17 1.83 0.55 1.61 2.12 -1.26 -5.02 118.70 116.37 2k9a s GLU 7 Ca -0.07 -0.92 0.23 0.00 0.36 0.00 0.00 54.97 54.57 2k9a s GLU 7 Cb 0.02 -1.85 1.52 0.00 0.26 0.00 0.00 34.13 34.09 2k9a s GLU 7 CO 0.24 0.50 2.18 0.66 -0.54 0.00 0.00 175.26 178.30 2k9a h SER 8 N 5.29 0.00 -3.45 -1.70 4.64 -2.06 -3.40 113.55 112.88 2k9a h SER 8 Ca -0.43 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.29 2k9a h SER 8 Cb 1.13 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 2k9a h SER 8 CO 0.46 0.03 0.15 0.12 -0.87 0.00 0.00 176.83 176.72 2k9a s PHE 9 N -4.74 3.32 0.21 4.77 5.36 -1.26 -5.04 117.98 120.60 2k9a s PHE 9 Ca -0.05 0.87 -0.09 0.00 -0.96 0.00 0.00 56.93 56.70 2k9a s PHE 9 Cb 0.16 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 2k9a s PHE 9 CO 0.61 -0.27 0.33 0.00 -1.46 0.00 0.00 175.22 174.43 2k9a s ALA 10 N 2.29 0.17 0.41 11.12 0.00 -1.26 -5.05 121.76 129.43 2k9a s ALA 10 Ca 0.27 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2k9a s ALA 10 Cb -0.16 1.08 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 2k9a s ALA 10 CO 0.09 -0.73 0.20 -0.51 0.00 0.00 0.00 175.76 174.81 2k9a s LEU 11 N -3.04 3.16 0.54 0.00 1.43 -1.26 -5.15 118.68 114.36 2k9a s LEU 11 Ca 0.25 -1.02 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2k9a s LEU 11 Cb 0.02 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.78 2k9a s LEU 11 CO 0.07 -0.53 0.73 -0.55 0.23 0.00 0.00 176.35 176.29 2k9a s SER 12 N -3.92 5.22 0.44 2.29 0.15 -1.26 -5.12 113.70 111.50 2k9a s SER 12 Ca 0.42 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2k9a s SER 12 Cb 0.02 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2k9a s SER 12 CO 0.23 -1.19 0.67 -0.36 1.20 0.00 0.00 173.24 173.79 2k9a s PHE 13 N -2.59 3.25 0.13 3.44 0.40 -1.26 -5.12 117.98 116.22 2k9a s PHE 13 Ca 0.59 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.19 2k9a s PHE 13 Cb -0.07 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2k9a s PHE 13 CO 0.37 -0.33 0.11 0.43 0.70 0.00 0.00 175.22 176.51 2k9a n SER 14 N -2.06 1.20 0.00 1.36 7.64 -1.26 -5.08 113.62 115.41 2k9a n SER 14 Ca 0.01 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2k9a n SER 14 Cb 0.57 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k9a n SER 15 N -2.16 2.87 0.05 6.43 3.41 -1.26 -4.49 113.62 118.47 2k9a n SER 15 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 2k9a n SER 15 Cb 0.14 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.04 -0.00 7.33 0.00 -1.98 -1.74 119.26 122.83 2k9a h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k9a h ALA 16 Cb 0.61 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k9a h ALA 16 CO 0.00 -0.53 -0.11 0.43 0.00 0.00 0.00 179.25 179.03 2k9a n SER 17 N -5.14 0.37 -4.96 0.00 7.64 -1.26 -4.54 113.62 105.73 2k9a n SER 17 Ca -0.07 -0.40 -0.22 0.00 1.01 0.00 0.00 58.87 59.20 2k9a n SER 17 Cb 0.07 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.57 5.52 0.63 6.43 2.15 -0.80 -4.97 116.67 123.06 2k9a s ASP 18 Ca 0.26 0.14 0.36 0.00 0.43 0.00 0.00 52.55 53.74 2k9a s ASP 18 Cb 0.20 -1.19 2.03 0.00 -0.30 0.00 0.00 42.92 43.66 2k9a s ASP 18 CO 0.49 -0.95 2.24 0.00 -0.17 0.00 0.00 175.17 176.79 2k9a h ALA 19 N 0.20 1.34 -0.72 3.66 0.00 -1.89 -2.39 119.26 119.46 2k9a h ALA 19 Ca -0.44 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2k9a h ALA 19 Cb 1.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2k9a h ALA 19 CO 0.55 -0.09 0.38 1.49 0.00 0.00 0.00 179.25 181.58 2k9a h GLU 20 N 0.00 0.65 -0.19 0.00 4.57 -1.93 -0.64 114.58 117.04 2k9a h GLU 20 Ca 0.02 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k9a h GLU 20 Cb 0.16 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2k9a h GLU 20 CO -0.00 0.43 0.11 0.35 -1.18 0.00 0.00 179.01 178.72 2k9a h PHE 21 N 0.67 0.25 0.00 0.92 3.04 -0.79 -2.27 116.94 118.76 2k9a h PHE 21 Ca 0.34 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 2k9a h PHE 21 Cb 0.30 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 2k9a h PHE 21 CO -0.09 0.21 -0.09 0.22 -2.02 0.00 0.00 178.31 176.54 2k9a h ASP 22 N 0.22 0.00 -0.14 0.41 3.58 -1.52 -1.26 116.42 117.71 2k9a h ASP 22 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2k9a h ASP 22 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k9a h ASP 22 CO -0.01 0.09 -0.00 0.00 -2.88 0.00 0.00 179.24 176.44 2k9a h ALA 23 N 1.91 0.19 0.12 -0.78 0.00 -0.57 -0.96 119.26 119.17 2k9a h ALA 23 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 23 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k9a h ALA 23 CO 0.01 -0.11 -0.06 0.28 0.00 0.00 0.00 179.25 179.37 2k9a h VAL 24 N -0.02 1.03 -0.62 0.00 2.07 -1.06 -2.66 116.25 115.00 2k9a h VAL 24 Ca 0.04 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2k9a h VAL 24 Cb 0.37 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2k9a h VAL 24 CO 0.01 0.15 0.42 1.62 0.02 0.00 0.00 177.57 179.79 2k9a h VAL 25 N -0.47 0.87 -0.33 2.57 3.04 -1.29 -1.38 116.25 119.25 2k9a h VAL 25 Ca -0.02 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.51 2k9a h VAL 25 Cb 0.38 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2k9a h VAL 25 CO 0.03 0.07 0.09 1.23 -1.01 0.00 0.00 177.57 177.97 2k9a h GLY 26 N 0.38 0.56 1.04 3.17 0.00 -0.97 -2.69 103.07 104.56 2k9a h GLY 26 Ca 0.29 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2k9a h GLY 26 CO -0.08 0.32 0.52 -0.97 0.00 0.00 0.00 176.54 176.34 2k9a h TYR 27 N 0.37 0.91 -0.17 5.60 0.05 -0.91 -2.19 116.97 120.62 2k9a h TYR 27 Ca 0.10 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.91 2k9a h TYR 27 Cb 0.29 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2k9a h TYR 27 CO 0.01 0.50 0.10 -0.07 -1.05 0.00 0.00 178.16 177.65 2k9a h LEU 28 N 0.92 0.15 -0.78 3.88 3.38 -1.15 -2.23 115.31 119.48 2k9a h LEU 28 Ca 0.33 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.39 2k9a h LEU 28 Cb 0.14 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2k9a h LEU 28 CO -0.11 0.11 0.43 -0.33 0.09 0.00 0.00 178.44 178.64 2k9a h GLU 29 N 0.20 0.71 -0.81 1.13 5.08 -1.10 -0.42 114.58 119.38 2k9a h GLU 29 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k9a h GLU 29 Cb 0.00 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2k9a h GLU 29 CO -0.04 0.47 0.52 0.22 -1.00 0.00 0.00 179.01 179.19 2k9a h ASP 30 N 0.73 0.94 0.29 1.42 3.58 -1.11 -1.93 116.42 120.35 2k9a h ASP 30 Ca 0.37 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.65 2k9a h ASP 30 Cb 0.34 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k9a h ASP 30 CO -0.24 0.69 -0.57 0.40 -2.88 0.00 0.00 179.24 176.63 2k9a h ILE 31 N 1.10 1.37 -0.42 2.25 2.04 -0.59 -2.85 117.51 120.41 2k9a h ILE 31 Ca 0.29 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.20 2k9a h ILE 31 Cb -0.10 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2k9a h ILE 31 CO -0.06 0.57 0.04 0.40 0.00 0.00 0.00 178.15 179.10 2k9a h ILE 32 N 0.22 1.21 -0.07 -0.67 2.04 -0.37 -1.68 117.51 118.20 2k9a h ILE 32 Ca -0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2k9a h ILE 32 Cb 1.07 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2k9a h ILE 32 CO 0.09 0.29 0.00 0.23 0.00 0.00 0.00 178.15 178.76 2k9a n MET 33 N -4.27 1.55 -2.30 2.37 2.81 -0.96 -4.63 117.12 111.70 2k9a n MET 33 Ca 0.02 -0.82 -0.41 0.00 -1.81 0.00 0.00 57.70 54.69 2k9a n MET 33 Cb 0.24 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.81 7.02 0.15 7.83 -1.08 -0.63 -4.94 116.67 123.20 2k9a s ASP 34 Ca 0.36 2.41 -0.16 0.00 -0.52 0.00 0.00 52.55 54.64 2k9a s ASP 34 Cb 0.19 -2.63 0.02 0.00 -1.46 0.00 0.00 42.92 39.04 2k9a s ASP 34 CO 0.30 -0.38 1.81 0.44 0.52 0.00 0.00 175.17 177.86 2k9a h ASP 35 N 4.29 0.48 0.20 -0.34 3.32 -1.90 -1.67 116.42 120.80 2k9a h ASP 35 Ca -0.46 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 2k9a h ASP 35 Cb 1.22 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2k9a h ASP 35 CO 0.70 0.36 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.45 2k9a h GLU 36 N 0.55 0.00 0.00 3.56 4.81 -1.93 -2.27 114.58 119.30 2k9a h GLU 36 Ca 0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2k9a h GLU 36 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k9a h GLU 36 CO -0.03 0.05 -0.13 0.35 -0.73 0.00 0.00 179.01 178.52 2k9a h PHE 37 N 0.00 0.13 -0.70 0.92 3.57 -1.57 -2.30 116.94 116.98 2k9a h PHE 37 Ca -0.00 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 37 Cb 0.16 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2k9a h PHE 37 CO 0.00 0.88 0.45 1.96 -2.23 0.00 0.00 178.31 179.36 2k9a h GLN 38 N -0.65 0.86 -0.60 1.11 4.20 -1.10 -1.03 115.11 117.89 2k9a h GLN 38 Ca -0.02 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 2k9a h GLN 38 Cb 0.91 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2k9a h GLN 38 CO 0.03 0.57 0.07 1.25 -0.67 0.00 0.00 178.83 180.07 2k9a h LEU 39 N 0.88 0.98 0.22 1.46 7.12 -1.51 -1.80 115.31 122.67 2k9a h LEU 39 Ca 0.28 -0.28 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2k9a h LEU 39 Cb -0.01 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.86 2k9a h LEU 39 CO -0.10 1.01 -0.11 0.25 -0.13 0.00 0.00 178.44 179.37 2k9a h LEU 40 N 0.92 -0.25 0.03 2.25 5.85 -0.84 0.15 115.31 123.42 2k9a h LEU 40 Ca 0.18 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2k9a h LEU 40 Cb 0.47 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2k9a h LEU 40 CO 0.02 -0.14 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.36 2k9a h GLN 41 N -0.35 -0.04 -0.19 1.25 5.75 -1.18 -2.73 115.11 117.62 2k9a h GLN 41 Ca -0.03 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2k9a h GLN 41 Cb 0.27 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2k9a h GLN 41 CO 0.05 0.02 -0.13 0.00 -2.65 0.00 0.00 178.83 176.12 2k9a h ARG 42 N -0.09 0.30 -0.10 1.69 3.08 -1.31 -0.22 114.38 117.74 2k9a h ARG 42 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k9a h ARG 42 Cb 0.08 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2k9a h ARG 42 CO 0.01 0.44 0.06 -0.97 -1.07 0.00 0.00 179.97 178.43 2k9a h ASN 43 N 0.28 0.12 0.17 7.04 -0.73 -0.42 -1.72 115.58 120.32 2k9a h ASN 43 Ca 0.06 -0.05 -0.27 0.00 1.87 0.00 0.00 56.30 57.90 2k9a h ASN 43 Cb 0.41 -0.03 0.03 0.00 0.27 0.00 0.00 38.32 39.00 2k9a h ASN 43 CO 0.02 0.13 -1.16 -0.26 -0.37 0.00 0.00 177.43 175.79 2k9a h PHE 44 N 0.09 0.85 -0.07 0.67 -1.00 -1.38 -3.25 116.94 112.85 2k9a h PHE 44 Ca 0.03 -0.58 0.02 0.00 2.81 0.00 0.00 57.97 60.25 2k9a h PHE 44 Cb 0.04 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 2k9a h PHE 44 CO -0.06 1.44 0.09 0.52 -1.61 0.00 0.00 178.31 178.69 2k9a h MET 45 N 0.02 0.00 -0.10 1.51 2.86 -1.04 -0.27 114.93 117.91 2k9a h MET 45 Ca -0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2k9a h MET 45 Cb 1.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 2k9a h MET 45 CO 0.22 0.00 0.02 0.22 1.06 0.00 0.00 176.91 178.43 2k9a h ASP 46 N 0.00 0.12 0.00 1.22 1.82 -1.34 -1.56 116.42 116.68 2k9a h ASP 46 Ca 0.03 -0.01 -0.41 0.00 -0.39 0.00 0.00 57.03 56.26 2k9a h ASP 46 Cb 0.21 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.12 2k9a h ASP 46 CO -0.00 0.14 -2.48 1.17 -1.61 0.00 0.00 179.24 176.46 2k9a n LYS 47 N -4.46 0.64 -0.10 0.28 3.00 -0.27 -4.33 118.16 112.92 2k9a n LYS 47 Ca -0.01 0.18 -0.05 0.00 -0.00 0.00 0.00 58.31 58.42 2k9a n LYS 47 Cb 0.13 -1.52 0.01 0.00 0.00 0.00 0.00 35.03 33.65 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 -0.21 -0.04 0.00 5.64 -1.99 -1.10 -0.09 116.97 119.18 2k9a h TYR 48 Ca -0.60 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.15 2k9a h TYR 48 Cb 1.84 0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.64 2k9a h TYR 48 CO 0.01 -0.07 0.00 0.10 -0.00 0.00 0.00 178.16 178.19 2k9a h TYR 49 N 0.09 0.00 0.00 4.88 -0.00 -1.52 -1.98 116.97 118.45 2k9a h TYR 49 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.90 2k9a h TYR 49 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 2k9a h TYR 49 CO -0.26 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 177.83 2k9a h LEU 50 N 0.00 -0.00 -1.62 0.10 3.38 -1.21 -3.31 115.31 112.65 2k9a h LEU 50 Ca 0.00 -0.95 -0.04 0.00 0.09 0.00 0.00 57.88 56.98 2k9a h LEU 50 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k9a h LEU 50 CO 0.00 0.95 -0.20 -0.33 0.09 0.00 0.00 178.44 178.95 2k9a h GLU 51 N -0.96 0.00 -5.99 1.13 4.39 -1.11 -3.37 114.58 108.67 2k9a h GLU 51 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 2k9a h GLU 51 Cb 0.95 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.50 2k9a h GLU 51 CO 0.00 0.20 1.76 -0.06 -1.16 0.00 0.00 179.01 179.75 2k9a s PHE 52 N -4.16 2.64 -0.11 4.33 0.40 -0.77 -4.97 117.98 115.34 2k9a s PHE 52 Ca -0.02 -1.16 -0.06 0.00 -0.60 0.00 0.00 56.93 55.09 2k9a s PHE 52 Cb 0.13 -4.71 -0.04 0.00 0.51 0.00 0.00 43.02 38.91 2k9a s PHE 52 CO 0.64 -1.88 0.14 -1.83 0.70 0.00 0.00 175.22 172.99 2k9a s GLU 53 N 4.64 3.43 -0.75 0.44 -1.05 -1.26 -4.85 118.70 119.29 2k9a s GLU 53 Ca 0.49 -0.16 -0.26 0.00 -0.15 0.00 0.00 54.97 54.89 2k9a s GLU 53 Cb 0.01 -3.17 -0.09 0.00 -0.44 0.00 0.00 34.13 30.45 2k9a s GLU 53 CO -0.03 0.77 2.22 0.34 0.95 0.00 0.00 175.26 179.51 2k9a s ASP 54 N -1.13 4.47 0.31 0.83 2.15 -1.26 -4.86 116.67 117.18 2k9a s ASP 54 Ca 0.16 0.06 -0.00 0.00 0.43 0.00 0.00 52.55 53.20 2k9a s ASP 54 Cb -0.12 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2k9a s ASP 54 CO 0.06 -3.24 0.37 0.42 -0.17 0.00 0.00 175.17 172.61 2k9a s THR 55 N 12.47 0.00 -0.18 1.71 -4.23 -1.26 -5.06 115.64 119.10 2k9a s THR 55 Ca 0.85 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 2k9a s THR 55 Cb -0.12 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.22 2k9a s THR 55 CO 0.10 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.51 2k9a n GLU 56 N -0.53 2.24 -3.32 3.99 -0.58 -1.26 -4.99 120.64 116.19 2k9a n GLU 56 Ca 0.03 -1.40 -0.39 0.00 -0.42 0.00 0.00 57.16 54.97 2k9a n GLU 56 Cb 0.62 -1.04 -0.08 0.00 -0.57 0.00 0.00 31.44 30.37 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2k9a s GLU 57 N -0.83 4.03 0.09 3.49 2.12 -1.26 -5.05 118.70 121.29 2k9a s GLU 57 Ca 0.04 0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 2k9a s GLU 57 Cb 0.02 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 2k9a s GLU 57 CO 0.03 -0.32 1.06 -0.80 -0.54 0.00 0.00 175.26 174.68 2k9a s ASN 58 N 1.60 7.31 0.20 -1.70 -0.87 -1.26 -5.05 114.94 115.17 2k9a s ASN 58 Ca 0.18 1.89 0.10 0.00 -1.57 0.00 0.00 52.86 53.46 2k9a s ASN 58 Cb -0.16 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 2k9a s ASN 58 CO 0.10 -0.24 -0.20 -0.54 -2.57 0.00 0.00 177.10 173.65 2k9a s LYS 59 N 0.36 1.41 0.26 -0.60 1.02 -1.26 -5.03 119.74 115.90 2k9a s LYS 59 Ca 0.51 -1.52 0.26 0.00 0.02 0.00 0.00 55.97 55.24 2k9a s LYS 59 Cb -0.26 -1.52 0.77 0.00 -0.52 0.00 0.00 37.83 36.30 2k9a s LYS 59 CO 0.31 0.31 1.75 1.25 -0.92 0.00 0.00 175.35 178.04 2k9a h LEU 60 N 3.01 0.00 -2.18 3.17 5.85 -2.04 -3.18 115.31 119.94 2k9a h LEU 60 Ca -0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2k9a h LEU 60 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2k9a h LEU 60 CO 0.53 0.00 -0.02 -0.29 -0.34 0.00 0.00 178.44 178.32 2k9a h ILE 61 N 0.00 0.10 0.00 4.05 6.09 -2.02 -1.88 117.51 123.84 2k9a h ILE 61 Ca 0.00 -0.30 -0.02 0.00 -1.37 0.00 0.00 64.86 63.17 2k9a h ILE 61 Cb 0.74 1.27 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 2k9a h ILE 61 CO 0.00 0.02 -0.07 1.88 -3.07 0.00 0.00 178.15 176.91 2k9a h TYR 62 N 0.00 0.00 0.17 2.19 -1.99 -1.98 -2.85 116.97 112.51 2k9a h TYR 62 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2k9a h TYR 62 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 2k9a h TYR 62 CO 0.00 0.07 -0.08 1.15 -0.00 0.00 0.00 178.16 179.30 2k9a h THR 63 N 0.00 0.96 -0.26 -2.88 2.02 -1.57 -2.34 112.91 108.84 2k9a h THR 63 Ca -0.00 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 2k9a h THR 63 Cb 0.67 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2k9a h THR 63 CO 0.01 0.18 -0.40 1.55 0.37 0.00 0.00 175.52 177.23 2k9a h PRO 64 N -0.62 0.74 -0.66 6.66 0.13 -1.71 -2.46 132.00 134.08 2k9a h PRO 64 Ca -0.02 -0.44 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2k9a h PRO 64 Cb 0.46 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.04 1.07 0.44 0.82 -0.23 0.00 0.00 178.00 180.13 2k9a h ILE 65 N 0.48 1.09 0.06 -3.56 2.04 -1.60 -0.24 117.51 115.78 2k9a h ILE 65 Ca 0.02 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2k9a h ILE 65 Cb 0.99 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2k9a h ILE 65 CO 0.09 0.14 -0.03 0.15 0.00 0.00 0.00 178.15 178.50 2k9a h PHE 66 N 0.78 -0.08 0.00 1.37 3.57 -1.37 -2.60 116.94 118.61 2k9a h PHE 66 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2k9a h PHE 66 Cb 0.08 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2k9a h PHE 66 CO -0.00 0.45 -0.01 -2.95 -2.23 0.00 0.00 178.31 173.57 2k9a h ASN 67 N -0.68 0.00 -0.07 0.41 7.08 -1.19 -1.64 115.58 119.50 2k9a h ASN 67 Ca -0.01 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.05 2k9a h ASN 67 Cb 0.57 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.82 2k9a h ASN 67 CO 0.01 0.01 -0.59 -0.08 -2.08 0.00 0.00 177.43 174.70 2k9a h GLU 68 N 0.00 0.52 -0.44 4.14 4.57 -0.97 -2.08 114.58 120.32 2k9a h GLU 68 Ca -0.00 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2k9a h GLU 68 Cb 0.03 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2k9a h GLU 68 CO 0.00 1.10 0.23 -0.92 -1.18 0.00 0.00 179.01 178.24 2k9a h TYR 69 N 0.10 0.59 0.07 0.92 3.20 -0.91 0.14 116.97 121.09 2k9a h TYR 69 Ca -0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k9a h TYR 69 Cb 1.25 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2k9a h TYR 69 CO 0.12 0.43 -0.03 0.82 -1.64 0.00 0.00 178.16 177.85 2k9a h ILE 70 N 0.61 1.20 0.00 1.81 1.08 -1.47 0.65 117.51 121.39 2k9a h ILE 70 Ca 0.16 -1.40 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 2k9a h ILE 70 Cb 0.04 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 2k9a h ILE 70 CO -0.02 0.32 -0.24 0.77 -0.69 0.00 0.00 178.15 178.28 2k9a h SER 71 N -0.78 0.00 0.00 1.72 4.64 -1.25 -0.85 113.55 117.04 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k9a h SER 71 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2k9a h SER 71 CO 0.02 0.24 -0.34 -0.11 -0.87 0.00 0.00 176.83 175.77 2k9a n LEU 72 N -3.89 1.19 0.10 5.97 -0.00 0.49 -4.17 117.00 116.69 2k9a n LEU 72 Ca -0.02 0.50 -0.05 0.00 -0.00 0.00 0.00 56.01 56.44 2k9a n LEU 72 Cb 0.33 -0.74 -0.02 0.00 -0.00 0.00 0.00 43.42 42.98 2k9a n LEU 72 CO 0.35 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 177.99 2k9a h VAL 73 N -0.65 0.00 -0.99 1.96 2.07 -1.00 -2.21 116.25 115.43 2k9a h VAL 73 Ca 0.00 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.08 2k9a h VAL 73 Cb 0.34 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 2k9a h VAL 73 CO 0.00 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.13 2k9a h GLU 74 N -0.94 0.78 -0.26 1.57 4.81 -1.09 0.83 114.58 120.29 2k9a h GLU 74 Ca -0.03 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k9a h GLU 74 CO 0.06 0.52 -0.43 -0.22 -0.73 0.00 0.00 179.01 178.21 2k9a h LYS 75 N 0.80 0.63 -0.86 1.92 1.63 -1.29 -2.72 116.57 116.68 2k9a h LYS 75 Ca 0.54 -0.33 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 2k9a h LYS 75 Cb 0.80 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.39 2k9a h LYS 75 CO -0.33 0.94 0.56 -0.92 -3.45 0.00 0.00 179.45 176.25 2k9a h TYR 76 N 0.51 0.99 -0.14 1.91 3.20 -0.19 -0.74 116.97 122.51 2k9a h TYR 76 Ca 0.04 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2k9a h TYR 76 Cb 0.95 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 2k9a h TYR 76 CO 0.04 0.53 -0.20 0.82 -1.64 0.00 0.00 178.16 177.71 2k9a h ILE 77 N 0.98 1.36 -0.61 1.81 2.04 -1.26 -2.71 117.51 119.14 2k9a h ILE 77 Ca 0.36 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.81 2k9a h ILE 77 Cb 0.17 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2k9a h ILE 77 CO -0.13 0.42 0.39 -0.08 0.00 0.00 0.00 178.15 178.76 2k9a h GLU 78 N -0.02 0.77 -0.03 2.37 4.81 -1.14 -2.18 114.58 119.18 2k9a h GLU 78 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k9a h GLU 78 Cb 0.76 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k9a h GLU 78 CO 0.05 0.51 0.01 0.93 -0.73 0.00 0.00 179.01 179.78 2k9a h GLU 79 N 0.80 0.04 -0.73 1.92 4.39 -1.18 -1.48 114.58 118.33 2k9a h GLU 79 Ca 0.23 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.97 2k9a h GLU 79 Cb -0.06 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2k9a h GLU 79 CO -0.06 0.13 0.48 1.96 -1.16 0.00 0.00 179.01 180.36 2k9a h GLN 80 N -0.07 0.83 -0.20 2.33 1.08 -1.33 -1.80 115.11 115.95 2k9a h GLN 80 Ca 0.01 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 2k9a h GLN 80 Cb 0.11 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2k9a h GLN 80 CO -0.00 0.55 -0.60 -0.07 -0.95 0.00 0.00 178.83 177.76 2k9a h LEU 81 N 0.86 0.76 -1.63 1.46 3.38 -1.19 -3.01 115.31 115.94 2k9a h LEU 81 Ca 0.30 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2k9a h LEU 81 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2k9a h LEU 81 CO -0.09 1.19 -0.14 -0.07 0.09 0.00 0.00 178.44 179.41 2k9a h LEU 82 N 0.50 0.00 -2.43 1.67 3.38 -0.52 -2.47 115.31 115.44 2k9a h LEU 82 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2k9a h LEU 82 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k9a h LEU 82 CO 0.12 0.14 0.16 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 -1.21 -2.54 115.11 113.57 2k9a h GLN 83 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 2k9a h GLN 83 Cb 0.49 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 2k9a h GLN 83 CO 0.02 0.00 -1.80 -2.13 -0.95 0.00 0.00 178.83 173.97 2k9a n ARG 84 N -3.38 1.53 -3.76 1.46 3.00 -0.98 -4.91 116.66 109.61 2k9a n ARG 84 Ca -0.01 0.03 -0.30 0.00 -0.00 0.00 0.00 57.85 57.57 2k9a n ARG 84 Cb 0.24 -1.29 -0.15 0.00 0.00 0.00 0.00 32.46 31.26 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k9a s ILE 85 N -2.28 0.98 -1.31 5.15 1.09 -0.96 -4.98 121.20 118.88 2k9a s ILE 85 Ca -0.10 -1.40 0.19 0.00 -1.10 0.00 0.00 60.65 58.24 2k9a s ILE 85 Cb 0.04 -1.70 0.28 0.00 -1.06 0.00 0.00 42.46 40.02 2k9a s ILE 85 CO 0.42 -0.61 1.58 -0.81 -0.10 0.00 0.00 174.94 175.43 2k9a n PRO 86 N 4.81 0.20 -0.27 2.79 -0.04 -1.19 -2.37 135.00 138.92 2k9a n PRO 86 Ca -0.03 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2k9a n PRO 86 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.34 2.58 -2.53 0.54 -0.58 -1.26 -5.03 120.64 113.02 2k9a n GLU 87 Ca 0.08 -2.49 -0.37 0.00 -0.42 0.00 0.00 57.16 53.96 2k9a n GLU 87 Cb 0.17 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.43 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -2.28 3.24 -0.39 -0.32 5.36 -1.00 -5.03 117.98 117.56 2k9a s PHE 88 Ca 0.32 1.64 -0.00 0.00 -0.96 0.00 0.00 56.93 57.92 2k9a s PHE 88 Cb 0.25 -3.14 0.11 0.00 -0.34 0.00 0.00 43.02 39.89 2k9a s PHE 88 CO 0.08 -0.68 0.16 1.21 -1.46 0.00 0.00 175.22 174.53 2k9a s ASN 89 N -1.55 5.06 0.41 6.13 3.04 -1.26 -4.96 114.94 121.81 2k9a s ASN 89 Ca 0.58 -2.13 0.08 0.00 0.04 0.00 0.00 52.86 51.42 2k9a s ASN 89 Cb -0.22 -1.75 0.85 0.00 -1.54 0.00 0.00 41.25 38.58 2k9a s ASN 89 CO 0.28 -0.47 2.03 -0.03 -3.04 0.00 0.00 177.10 175.87 2k9a h MET 90 N 7.81 0.47 -0.28 0.43 1.85 -1.97 -1.82 114.93 121.43 2k9a h MET 90 Ca -0.09 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 58.88 2k9a h MET 90 Cb 1.03 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.95 2k9a h MET 90 CO 0.63 0.36 -0.14 0.00 -0.40 0.00 0.00 176.91 177.36 2k9a h ALA 91 N 1.72 0.39 -0.31 0.39 0.00 -2.00 -1.69 119.26 117.77 2k9a h ALA 91 Ca 0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 91 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k9a h ALA 91 CO -0.02 0.28 -0.35 0.00 0.00 0.00 0.00 179.25 179.16 2k9a h ALA 92 N 0.74 0.80 -0.18 0.00 0.00 -1.92 -2.77 119.26 115.95 2k9a h ALA 92 Ca 0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2k9a h ALA 92 Cb 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k9a h ALA 92 CO 0.04 0.65 -0.13 0.35 0.00 0.00 0.00 179.25 180.16 2k9a h PHE 93 N 0.59 0.47 -0.01 0.00 3.57 -1.33 -2.65 116.94 117.58 2k9a h PHE 93 Ca 0.06 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 93 Cb 0.87 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2k9a h PHE 93 CO 0.04 0.74 -0.09 1.79 -2.23 0.00 0.00 178.31 178.56 2k9a h THR 94 N 0.06 0.76 -0.05 4.41 1.35 -1.31 0.40 112.91 118.54 2k9a h THR 94 Ca 0.03 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.92 2k9a h THR 94 Cb 0.65 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 2k9a h THR 94 CO 0.03 0.00 -0.10 0.71 -0.25 0.00 0.00 175.52 175.92 2k9a h THR 95 N -0.16 0.74 -0.06 6.82 1.35 -1.54 -1.88 112.91 118.18 2k9a h THR 95 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.87 2k9a h THR 95 Cb 0.20 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 2k9a h THR 95 CO -0.10 0.00 -0.09 0.74 -0.25 0.00 0.00 175.52 175.82 2k9a h THR 96 N -0.14 1.11 -0.35 6.82 2.02 -1.32 -2.32 112.91 118.73 2k9a h THR 96 Ca 0.05 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 2k9a h THR 96 Cb 0.21 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2k9a h THR 96 CO -0.13 0.14 -0.19 0.25 0.37 0.00 0.00 175.52 175.96 2k9a h LEU 97 N 0.08 0.64 -0.69 2.58 6.46 -0.15 -0.96 115.31 123.28 2k9a h LEU 97 Ca 0.02 -0.21 0.14 0.00 -0.12 0.00 0.00 57.88 57.71 2k9a h LEU 97 Cb 0.23 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.88 2k9a h LEU 97 CO 0.01 0.83 0.18 1.56 -0.62 0.00 0.00 178.44 180.41 2k9a h GLN 98 N 0.57 0.29 0.02 1.25 4.20 -0.80 0.59 115.11 121.23 2k9a h GLN 98 Ca 0.09 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.49 2k9a h GLN 98 Cb 0.64 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 2k9a h GLN 98 CO 0.05 0.19 -1.68 1.12 -0.67 0.00 0.00 178.83 177.84 2k9a h HIS 99 N 0.30 0.07 0.00 2.96 2.07 -1.66 -3.30 115.15 115.59 2k9a h HIS 99 Ca 0.38 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 2k9a h HIS 99 Cb 0.60 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.57 2k9a h HIS 99 CO -0.24 1.10 0.00 1.58 -3.07 0.00 0.00 177.93 177.30 2k9a n HIS 100 N -3.13 0.00 0.29 6.12 -0.00 -0.37 -2.62 115.22 115.51 2k9a n HIS 100 Ca -0.17 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.73 2k9a n HIS 100 Cb 1.04 -0.34 0.98 0.00 -0.00 0.00 0.00 29.99 31.67 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -0.99 -0.97 116.57 119.82 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 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 2k9a n ASP 102 N -2.82 0.00 0.02 4.20 5.75 -1.08 -3.57 116.55 119.05 2k9a n ASP 102 Ca -0.02 0.23 -0.02 0.00 -0.01 0.00 0.00 54.79 54.97 2k9a n ASP 102 Cb 0.13 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 39.90 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k9a n GLU 103 N -1.31 0.11 -0.58 0.11 4.07 -0.37 -5.07 120.64 117.59 2k9a n GLU 103 Ca 0.03 0.04 -0.30 0.00 -0.06 0.00 0.00 57.16 56.87 2k9a n GLU 103 Cb 0.06 -0.68 0.27 0.00 -0.06 0.00 0.00 31.44 31.03 2k9a n GLU 103 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k9a s VAL 104 N -2.14 1.40 -0.47 6.31 -7.23 -1.22 -4.88 120.40 112.17 2k9a s VAL 104 Ca -0.06 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 2k9a s VAL 104 Cb 0.01 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2k9a s VAL 104 CO 0.09 0.00 1.49 0.00 -0.31 0.00 0.00 175.10 176.37 2k9a s ALA 105 N -2.49 2.88 0.50 1.32 0.00 -1.26 -4.87 121.76 117.84 2k9a s ALA 105 Ca 0.69 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 52.50 2k9a s ALA 105 Cb -0.14 -4.03 1.21 0.00 0.00 0.00 0.00 23.12 20.16 2k9a s ALA 105 CO 0.58 -2.72 2.11 0.78 0.00 0.00 0.00 175.76 176.51 2k9a h GLY 106 N 13.00 0.12 1.54 0.00 0.00 -1.90 -1.39 103.07 114.44 2k9a h GLY 106 Ca -0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2k9a h GLY 106 CO 1.12 0.04 0.10 1.29 0.00 0.00 0.00 176.54 179.09 2k9a h ASP 107 N 0.11 0.54 -0.02 0.19 3.04 -1.97 -0.18 116.42 118.14 2k9a h ASP 107 Ca 0.07 -0.08 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 2k9a h ASP 107 Cb 0.16 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 2k9a h ASP 107 CO -0.01 0.54 -0.07 0.40 -2.04 0.00 0.00 179.24 178.06 2k9a h ILE 108 N 0.58 1.50 0.00 4.15 2.04 -1.66 -3.21 117.51 120.91 2k9a h ILE 108 Ca 0.13 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 2k9a h ILE 108 Cb 0.22 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2k9a h ILE 108 CO -0.00 0.42 -0.16 0.15 0.00 0.00 0.00 178.15 178.56 2k9a h PHE 109 N -0.54 0.00 -1.08 1.37 3.57 -1.37 -2.57 116.94 116.32 2k9a h PHE 109 Ca -0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 109 Cb 0.72 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 109 CO 0.15 0.16 0.74 0.22 -2.23 0.00 0.00 178.31 177.35 2k9a h ASP 110 N 0.00 0.21 -0.08 0.41 3.58 -1.02 0.32 116.42 119.84 2k9a h ASP 110 Ca -0.00 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 2k9a h ASP 110 Cb 0.30 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k9a h ASP 110 CO 0.02 0.04 -0.23 -0.03 -2.88 0.00 0.00 179.24 176.16 2k9a h MET 111 N 0.18 0.29 0.00 0.28 4.05 -1.60 -3.13 114.93 115.01 2k9a h MET 111 Ca 0.56 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 2k9a h MET 111 Cb 1.84 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.67 2k9a h MET 111 CO -0.14 0.83 -0.06 -0.07 0.23 0.00 0.00 176.91 177.69 2k9a h LEU 112 N -0.19 0.00 -1.86 3.39 3.38 -0.63 -2.80 115.31 116.61 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2k9a h LEU 112 CO 0.05 0.06 0.65 -0.07 0.09 0.00 0.00 178.44 179.22 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.68 0.23 115.31 119.91 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k9a h LEU 113 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 2k9a n THR 114 N -3.82 0.06 -0.00 0.22 -2.24 -1.06 -1.77 114.28 105.67 2k9a n THR 114 Ca 0.14 0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2k9a n THR 114 Cb 0.91 -1.02 0.28 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.55 0.00 4.78 0.04 -1.22 -3.40 116.94 117.68 2k9a h PHE 115 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k9a h PHE 115 Cb 0.00 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2k9a h PHE 115 CO 0.00 0.57 0.00 0.25 -0.60 0.00 0.00 178.31 178.53 2k9a n THR 116 N -4.25 0.00 -1.95 -1.55 -2.24 -0.95 -5.01 114.28 98.33 2k9a n THR 116 Ca 0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 2k9a n THR 116 Cb 0.27 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.34 4.84 0.57 3.42 2.15 -0.73 -4.75 116.67 120.84 2k9a s ASP 117 Ca 0.00 -0.64 0.30 0.00 0.43 0.00 0.00 52.55 52.64 2k9a s ASP 117 Cb 0.00 -2.56 1.75 0.00 -0.30 0.00 0.00 42.92 41.81 2k9a s ASP 117 CO 0.00 -3.05 2.20 0.15 -0.17 0.00 0.00 175.17 174.30 2k9a h PHE 118 N 11.41 0.00 -0.31 -5.34 3.57 -1.88 -1.52 116.94 122.88 2k9a h PHE 118 Ca 0.09 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 118 Cb 1.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2k9a h PHE 118 CO 1.20 0.04 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.86 2k9a h LEU 119 N 0.00 0.77 -0.45 0.59 -0.00 -1.97 -2.53 115.31 111.71 2k9a h LEU 119 Ca -0.00 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.88 57.42 2k9a h LEU 119 Cb 0.12 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 2k9a h LEU 119 CO 0.01 1.07 -0.57 0.00 -0.00 0.00 0.00 178.44 178.94 2k9a h ALA 120 N 0.97 0.77 0.26 1.53 0.00 -1.66 -2.40 119.26 118.73 2k9a h ALA 120 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2k9a h ALA 120 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k9a h ALA 120 CO 0.08 0.72 -0.12 0.35 0.00 0.00 0.00 179.25 180.28 2k9a h PHE 121 N 0.00 -0.32 -0.09 0.00 3.57 -1.27 -1.63 116.94 117.20 2k9a h PHE 121 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 121 Cb 1.24 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 2k9a h PHE 121 CO 0.00 0.04 0.02 -0.22 -2.23 0.00 0.00 178.31 175.92 2k9a h LYS 122 N -0.81 0.14 -0.15 1.11 3.64 -1.54 -2.68 116.57 116.27 2k9a h LYS 122 Ca -0.04 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2k9a h LYS 122 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2k9a h LYS 122 CO 0.06 0.32 0.11 1.49 -2.27 0.00 0.00 179.45 179.16 2k9a h GLU 123 N -0.07 0.07 -0.26 1.90 4.57 -1.53 -1.84 114.58 117.41 2k9a h GLU 123 Ca 0.03 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2k9a h GLU 123 Cb 0.25 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2k9a h GLU 123 CO 0.00 0.05 0.03 1.98 -1.18 0.00 0.00 179.01 179.89 2k9a h MET 124 N 0.07 0.45 -0.65 1.92 4.05 -0.96 -1.51 114.93 118.30 2k9a h MET 124 Ca 0.07 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 124 Cb 0.18 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 2k9a h MET 124 CO -0.01 0.58 0.11 0.74 0.23 0.00 0.00 176.91 178.57 2k9a h PHE 125 N 0.25 1.13 -0.15 1.39 0.04 -1.10 -1.48 116.94 117.02 2k9a h PHE 125 Ca 0.08 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2k9a h PHE 125 Cb 0.36 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2k9a h PHE 125 CO 0.03 0.95 0.05 -0.07 -0.60 0.00 0.00 178.31 178.66 2k9a h LEU 126 N 1.00 0.21 -0.63 1.54 3.38 -1.27 -1.55 115.31 118.00 2k9a h LEU 126 Ca 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2k9a h LEU 126 Cb 0.42 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2k9a h LEU 126 CO 0.01 0.35 0.29 -0.78 0.09 0.00 0.00 178.44 178.40 2k9a h ASP 127 N 0.06 0.83 -0.99 -0.43 1.82 -1.20 -1.99 116.42 114.52 2k9a h ASP 127 Ca 0.05 -0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2k9a h ASP 127 Cb 0.21 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2k9a h ASP 127 CO -0.00 0.74 0.65 0.22 -1.61 0.00 0.00 179.24 179.24 2k9a h TYR 128 N 0.87 1.26 -0.31 0.28 3.20 -1.14 -1.69 116.97 119.43 2k9a h TYR 128 Ca 0.21 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 128 Cb 0.14 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2k9a h TYR 128 CO 0.00 0.80 -0.14 -0.09 -1.64 0.00 0.00 178.16 177.09 2k9a h ARG 129 N 1.35 0.55 -0.16 1.82 2.43 -0.89 -2.59 114.38 116.88 2k9a h ARG 129 Ca 0.36 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2k9a h ARG 129 Cb -0.15 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2k9a h ARG 129 CO -0.08 0.67 -0.21 0.00 -1.51 0.00 0.00 179.97 178.84 2k9a h ALA 130 N 1.35 1.35 0.00 2.80 0.00 -0.58 -2.08 119.26 122.10 2k9a h ALA 130 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 130 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k9a h ALA 130 CO 0.03 0.44 0.00 0.93 0.00 0.00 0.00 179.25 180.66 2k9a h GLU 131 N 0.25 0.00 0.00 0.00 5.08 -1.01 -2.54 114.58 116.36 2k9a h GLU 131 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k9a h GLU 131 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k9a h GLU 131 CO 0.04 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.92 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.34 -2.62 116.57 116.73 2k9a h LYS 132 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k9a h LYS 132 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2k9a h LYS 132 CO 0.00 0.00 0.00 0.93 -1.08 0.00 0.00 179.45 179.30 2k9a h GLU 133 N 0.00 0.00 -1.09 3.15 5.08 -1.59 -3.46 114.58 116.66 2k9a h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9a h GLU 133 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k9a h GLU 133 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2k9a n GLY 134 N -0.76 0.38 3.53 -3.84 0.00 -0.99 -5.14 105.19 98.38 2k9a n GLY 134 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.16 0.89 0.00 1.61 3.52 -1.26 -5.15 118.95 116.41 2k9a s ARG 135 Ca 0.00 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 2k9a s ARG 135 Cb 0.00 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 2k9a s ARG 135 CO 0.00 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.70