#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 6.42 -0.18 7.83 1.11 -1.26 -5.10 116.67 125.50 2k9a s ASP 2 Ca 0.00 0.42 -0.04 0.00 0.18 0.00 0.00 52.55 53.11 2k9a s ASP 2 Cb 0.00 -2.02 0.08 0.00 1.07 0.00 0.00 42.92 42.05 2k9a s ASP 2 CO 0.00 0.14 0.21 0.00 1.18 0.00 0.00 175.17 176.71 2k9a s ALA 3 N -1.53 -0.27 -0.23 5.23 0.00 -1.26 -5.13 121.76 118.57 2k9a s ALA 3 Ca 0.36 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 2k9a s ALA 3 Cb -0.13 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 21.87 2k9a s ALA 3 CO 0.25 -1.05 0.53 -1.17 0.00 0.00 0.00 175.76 174.32 2k9a s LEU 4 N 2.33 -0.67 0.00 0.00 2.96 -1.26 -5.01 118.68 117.03 2k9a s LEU 4 Ca 0.06 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 2k9a s LEU 4 Cb -0.15 1.82 0.00 0.00 0.50 0.00 0.00 46.19 48.36 2k9a s LEU 4 CO -0.11 -0.22 0.25 -0.62 -1.32 0.00 0.00 176.35 174.34 2k9a n GLU 5 N 4.80 -0.28 0.00 1.98 1.02 -1.26 -5.06 120.64 121.84 2k9a n GLU 5 Ca -0.16 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2k9a n GLU 5 Cb 0.54 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 6 N -0.02 1.35 3.23 0.62 0.00 -1.26 -5.11 105.19 104.00 2k9a n GLY 6 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.01 2.51 -0.12 1.61 2.56 -1.26 -4.97 118.70 119.01 2k9a s GLU 7 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 54.97 53.61 2k9a s GLU 7 Cb 0.00 -3.39 -0.03 0.00 2.00 0.00 0.00 34.13 32.71 2k9a s GLU 7 CO 0.00 -0.70 -0.16 -1.13 -0.56 0.00 0.00 175.26 172.71 2k9a n SER 8 N 4.74 1.52 -3.60 -1.70 3.41 -1.26 -4.96 113.62 111.77 2k9a n SER 8 Ca -0.12 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.84 2k9a n SER 8 Cb 0.44 -0.80 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 2k9a n SER 8 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2k9a s PHE 9 N -2.08 -0.09 0.00 7.33 5.36 -1.26 -5.05 117.98 122.18 2k9a s PHE 9 Ca -0.13 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 2k9a s PHE 9 Cb 0.02 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.28 2k9a s PHE 9 CO 0.20 -0.42 0.00 0.00 -1.46 0.00 0.00 175.22 173.54 2k9a n ALA 10 N 5.31 1.46 -3.32 11.12 0.00 -1.26 -5.07 120.51 128.75 2k9a n ALA 10 Ca -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2k9a n ALA 10 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2k9a n ALA 10 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k9a s LEU 11 N -4.76 -0.89 0.01 0.00 2.96 -1.26 -5.05 118.68 109.69 2k9a s LEU 11 Ca 0.00 0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 54.20 2k9a s LEU 11 Cb 0.00 1.50 -0.16 0.00 0.50 0.00 0.00 46.19 48.03 2k9a s LEU 11 CO 0.00 -0.28 1.20 0.77 -1.32 0.00 0.00 176.35 176.72 2k9a h SER 12 N 8.12 -0.43 0.00 3.68 4.64 -2.01 -3.48 113.55 124.07 2k9a h SER 12 Ca -0.20 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2k9a h SER 12 Cb 1.15 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2k9a h SER 12 CO 0.25 -0.07 0.00 0.33 -0.87 0.00 0.00 176.83 176.47 2k9a n PHE 13 N -5.18 -1.45 0.09 4.77 7.35 -1.26 -5.01 117.46 116.77 2k9a n PHE 13 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2k9a n PHE 13 Cb 0.28 0.29 0.00 0.00 0.35 0.00 0.00 39.48 40.40 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k9a n SER 14 N -2.07 -1.66 0.00 -2.13 2.88 -1.26 -4.99 113.62 104.38 2k9a n SER 14 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2k9a n SER 14 Cb 0.00 1.78 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 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 -2.81 0.84 0.00 -3.46 3.41 -1.26 -4.75 113.62 105.59 2k9a n SER 15 Ca 0.00 -0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.62 2k9a n SER 15 Cb 0.00 0.26 0.31 0.00 -0.26 0.00 0.00 64.21 64.52 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a n ALA 16 N -0.34 1.77 -0.47 7.33 0.00 -1.26 -0.40 120.51 127.14 2k9a n ALA 16 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k9a n ALA 16 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2k9a n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k9a n SER 17 N -1.21 0.00 0.00 0.00 2.88 -1.26 -4.91 113.62 109.12 2k9a n SER 17 Ca 0.06 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2k9a n SER 17 Cb 0.08 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k9a n ASP 18 N -1.81 0.00 0.22 -3.46 -0.08 -1.25 -4.96 116.55 105.20 2k9a n ASP 18 Ca 0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 2k9a n ASP 18 Cb 0.00 0.00 0.51 0.00 2.34 0.00 0.00 41.12 43.97 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a h ALA 19 N 1.76 1.26 -0.03 -1.67 0.00 -1.93 -3.10 119.26 115.54 2k9a h ALA 19 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 19 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k9a h ALA 19 CO 0.00 0.32 0.01 1.49 0.00 0.00 0.00 179.25 181.07 2k9a h GLU 20 N 0.00 0.04 -0.17 0.00 4.57 -1.94 -1.93 114.58 115.16 2k9a h GLU 20 Ca -0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2k9a h GLU 20 Cb 0.58 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 2k9a h GLU 20 CO 0.03 0.21 -0.18 0.35 -1.18 0.00 0.00 179.01 178.25 2k9a h PHE 21 N -0.14 -0.46 -0.83 0.92 3.04 -0.65 -1.04 116.94 117.79 2k9a h PHE 21 Ca 0.01 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.08 2k9a h PHE 21 Cb 0.19 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 38.87 2k9a h PHE 21 CO -0.01 -0.25 0.54 -0.44 -2.02 0.00 0.00 178.31 176.13 2k9a h ASP 22 N -0.20 0.71 -0.63 0.41 3.32 -1.56 -1.30 116.42 117.17 2k9a h ASP 22 Ca 0.11 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2k9a h ASP 22 Cb 0.37 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2k9a h ASP 22 CO -0.29 0.42 0.41 0.00 -1.72 0.00 0.00 179.24 178.07 2k9a h ALA 23 N 1.58 0.80 -0.84 3.45 0.00 -0.38 -2.26 119.26 121.61 2k9a h ALA 23 Ca 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2k9a h ALA 23 Cb 0.43 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k9a h ALA 23 CO -0.15 0.22 0.46 0.28 0.00 0.00 0.00 179.25 180.05 2k9a h VAL 24 N 0.84 1.25 -0.93 0.00 2.07 -0.58 -2.29 116.25 116.62 2k9a h VAL 24 Ca 0.23 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 67.20 2k9a h VAL 24 Cb -0.09 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 29.74 2k9a h VAL 24 CO -0.06 0.28 0.58 0.58 0.02 0.00 0.00 177.57 178.97 2k9a h VAL 25 N 1.17 1.02 -0.55 2.57 2.07 -0.93 -0.86 116.25 120.75 2k9a h VAL 25 Ca 0.30 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2k9a h VAL 25 Cb 0.04 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 2k9a h VAL 25 CO -0.05 0.19 0.19 1.23 0.02 0.00 0.00 177.57 179.15 2k9a h GLY 26 N 1.03 0.91 1.79 2.17 0.00 -0.99 -2.30 103.07 105.67 2k9a h GLY 26 Ca 0.42 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2k9a h GLY 26 CO -0.20 0.49 -0.10 -0.97 0.00 0.00 0.00 176.54 175.77 2k9a h TYR 27 N 0.76 0.27 -0.11 5.60 0.05 -0.96 -2.47 116.97 120.11 2k9a h TYR 27 Ca 0.18 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2k9a h TYR 27 Cb 0.25 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 2k9a h TYR 27 CO 0.01 0.36 0.01 -0.07 -1.05 0.00 0.00 178.16 177.43 2k9a h LEU 28 N 0.25 0.18 -1.67 3.88 3.38 -0.75 -2.29 115.31 118.30 2k9a h LEU 28 Ca 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2k9a h LEU 28 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k9a h LEU 28 CO 0.02 0.41 0.14 -0.33 0.09 0.00 0.00 178.44 178.77 2k9a h GLU 29 N -0.05 0.36 -0.20 1.13 5.08 -1.16 -0.51 114.58 119.23 2k9a h GLU 29 Ca 0.03 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 2k9a h GLU 29 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k9a h GLU 29 CO 0.00 0.27 -0.49 0.22 -1.00 0.00 0.00 179.01 178.02 2k9a h ASP 30 N 0.37 0.59 -0.02 1.42 1.82 -1.24 -2.36 116.42 116.99 2k9a h ASP 30 Ca 0.10 -0.29 -0.22 0.00 -0.39 0.00 0.00 57.03 56.22 2k9a h ASP 30 Cb 0.02 -0.17 0.02 0.00 0.68 0.00 0.00 39.33 39.88 2k9a h ASP 30 CO -0.02 0.98 -0.85 0.40 -1.61 0.00 0.00 179.24 178.14 2k9a h ILE 31 N 0.43 1.33 -0.32 2.25 2.04 -0.77 -2.94 117.51 119.52 2k9a h ILE 31 Ca 0.02 -2.14 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 2k9a h ILE 31 Cb 1.01 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 2k9a h ILE 31 CO 0.09 0.65 -0.03 0.40 0.00 0.00 0.00 178.15 179.26 2k9a h ILE 32 N 0.25 1.20 -0.30 -0.67 2.04 -1.13 -1.73 117.51 117.16 2k9a h ILE 32 Ca -0.10 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2k9a h ILE 32 Cb 1.52 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2k9a h ILE 32 CO 0.17 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.83 2k9a n MET 33 N -4.27 1.76 -2.65 2.37 2.81 -0.89 -4.62 117.12 111.64 2k9a n MET 33 Ca 0.01 -1.18 -0.39 0.00 -1.81 0.00 0.00 57.70 54.33 2k9a n MET 33 Cb 0.26 -1.29 -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 -1.13 7.36 0.18 7.83 2.15 -0.65 -4.96 116.67 127.45 2k9a s ASP 34 Ca 0.25 2.04 -0.13 0.00 0.43 0.00 0.00 52.55 55.13 2k9a s ASP 34 Cb 0.13 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 40.23 2k9a s ASP 34 CO 0.18 -0.06 1.84 0.44 -0.17 0.00 0.00 175.17 177.40 2k9a h ASP 35 N 3.66 0.63 0.37 -0.34 3.32 -1.90 -1.70 116.42 120.45 2k9a h ASP 35 Ca -0.46 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 2k9a h ASP 35 Cb 1.20 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 2k9a h ASP 35 CO 0.66 0.45 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.48 2k9a h GLU 36 N 0.75 0.00 0.05 3.56 4.81 -1.93 -2.57 114.58 119.25 2k9a h GLU 36 Ca 0.21 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 2k9a h GLU 36 Cb -0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.32 2k9a h GLU 36 CO -0.05 0.08 -0.64 0.35 -0.73 0.00 0.00 179.01 178.01 2k9a h PHE 37 N 0.00 0.56 -0.65 0.92 3.57 -1.58 -2.24 116.94 117.53 2k9a h PHE 37 Ca -0.00 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 2k9a h PHE 37 Cb 0.29 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2k9a h PHE 37 CO 0.00 1.19 0.31 1.96 -2.23 0.00 0.00 178.31 179.54 2k9a h GLN 38 N -0.23 0.93 -0.28 1.11 4.20 -1.18 -0.82 115.11 118.83 2k9a h GLN 38 Ca -0.09 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 2k9a h GLN 38 Cb 1.40 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2k9a h GLN 38 CO 0.12 0.75 -0.18 1.25 -0.67 0.00 0.00 178.83 180.10 2k9a h LEU 39 N 0.89 0.65 0.03 1.46 5.85 -1.57 -2.43 115.31 120.20 2k9a h LEU 39 Ca 0.22 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2k9a h LEU 39 Cb 0.13 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2k9a h LEU 39 CO -0.03 0.94 -0.01 0.25 -0.34 0.00 0.00 178.44 179.25 2k9a h LEU 40 N 0.36 -0.03 -0.10 2.25 6.46 -1.25 -0.01 115.31 122.99 2k9a h LEU 40 Ca 0.06 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2k9a h LEU 40 Cb 0.72 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2k9a h LEU 40 CO 0.05 0.06 0.07 -0.61 -0.62 0.00 0.00 178.44 177.39 2k9a h GLN 41 N -0.12 0.13 -0.18 1.25 4.15 -1.20 -2.63 115.11 116.51 2k9a h GLN 41 Ca -0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 2k9a h GLN 41 Cb 0.11 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2k9a h GLN 41 CO 0.01 0.09 -0.22 -0.09 -1.93 0.00 0.00 178.83 176.68 2k9a h ARG 42 N 0.13 0.31 -0.21 1.69 2.43 -1.40 -0.64 114.38 116.69 2k9a h ARG 42 Ca 0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2k9a h ARG 42 Cb -0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2k9a h ARG 42 CO -0.01 0.52 0.13 -0.97 -1.51 0.00 0.00 179.97 178.13 2k9a h ASN 43 N 0.28 0.24 0.04 -3.80 -0.73 -0.65 -1.26 115.58 109.71 2k9a h ASN 43 Ca 0.05 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.06 2k9a h ASN 43 Cb 0.55 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 39.09 2k9a h ASN 43 CO 0.04 0.19 -0.55 -0.26 -0.37 0.00 0.00 177.43 176.48 2k9a h PHE 44 N 0.27 0.47 -0.17 0.67 0.04 -1.38 -3.24 116.94 113.60 2k9a h PHE 44 Ca 0.07 -0.29 0.05 0.00 2.80 0.00 0.00 57.97 60.61 2k9a h PHE 44 Cb -0.01 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2k9a h PHE 44 CO -0.06 1.14 0.20 0.52 -0.60 0.00 0.00 178.31 179.51 2k9a h MET 45 N -0.34 0.00 -0.17 1.51 2.86 -1.11 -0.08 114.93 117.60 2k9a h MET 45 Ca -0.08 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2k9a h MET 45 Cb 1.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 2k9a h MET 45 CO 0.11 0.00 0.12 0.22 1.06 0.00 0.00 176.91 178.41 2k9a h ASP 46 N 0.00 0.11 0.06 1.22 1.82 -1.25 -2.09 116.42 116.29 2k9a h ASP 46 Ca 0.08 -0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.35 2k9a h ASP 46 Cb 0.48 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.40 2k9a h ASP 46 CO -0.00 0.08 -2.33 0.29 -1.61 0.00 0.00 179.24 175.67 2k9a n LYS 47 N -4.51 0.68 0.19 0.28 4.76 -0.12 -4.39 118.16 115.05 2k9a n LYS 47 Ca 0.00 0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 2k9a n LYS 47 Cb 0.16 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2k9a h TYR 48 N 0.00 -0.66 0.00 2.13 -1.99 -1.06 -1.55 116.97 113.84 2k9a h TYR 48 Ca -0.53 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.21 2k9a h TYR 48 Cb 2.11 0.25 0.00 0.00 2.00 0.00 0.00 36.73 41.09 2k9a h TYR 48 CO 0.01 -0.37 0.09 0.10 -0.00 0.00 0.00 178.16 178.00 2k9a h TYR 49 N -0.55 0.00 0.17 4.88 -0.00 -1.62 -0.73 116.97 119.11 2k9a h TYR 49 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.47 2k9a h TYR 49 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.25 2k9a h TYR 49 CO -0.15 0.00 -1.14 -0.07 -0.00 0.00 0.00 178.16 176.81 2k9a h LEU 50 N 0.00 0.55 -0.48 0.10 3.38 -1.50 -3.34 115.31 114.02 2k9a h LEU 50 Ca 0.00 -0.93 -0.16 0.00 0.09 0.00 0.00 57.88 56.88 2k9a h LEU 50 Cb 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k9a h LEU 50 CO 0.00 1.53 -0.53 -0.33 0.09 0.00 0.00 178.44 179.21 2k9a h GLU 51 N -0.21 0.65 -5.88 1.13 4.39 -0.72 -3.38 114.58 110.55 2k9a h GLU 51 Ca -0.21 -0.40 -0.48 0.00 0.34 0.00 0.00 59.36 58.61 2k9a h GLU 51 Cb 1.82 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 30.43 2k9a h GLU 51 CO 0.17 1.01 1.28 -0.06 -1.16 0.00 0.00 179.01 180.25 2k9a s PHE 52 N -4.07 2.25 -0.02 4.33 0.08 -0.55 -4.95 117.98 115.06 2k9a s PHE 52 Ca -0.08 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 2k9a s PHE 52 Cb 0.11 -4.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.11 2k9a s PHE 52 CO 0.85 -1.78 0.07 -2.00 -0.10 0.00 0.00 175.22 172.26 2k9a s GLU 53 N 5.74 3.04 -0.53 0.44 2.12 -1.26 -4.80 118.70 123.45 2k9a s GLU 53 Ca 0.58 -0.48 -0.26 0.00 0.36 0.00 0.00 54.97 55.16 2k9a s GLU 53 Cb -0.02 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 2k9a s GLU 53 CO -0.02 0.65 2.15 0.34 -0.54 0.00 0.00 175.26 177.84 2k9a s ASP 54 N -1.62 4.86 0.25 -1.70 -1.08 -1.26 -4.93 116.67 111.20 2k9a s ASP 54 Ca 0.21 0.79 0.04 0.00 -0.52 0.00 0.00 52.55 53.07 2k9a s ASP 54 Cb -0.12 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.77 2k9a s ASP 54 CO 0.12 -2.61 -0.01 0.42 0.52 0.00 0.00 175.17 173.62 2k9a s THR 55 N 10.60 1.20 -0.22 1.71 -4.23 -1.26 -5.07 115.64 118.37 2k9a s THR 55 Ca 0.84 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2k9a s THR 55 Cb -0.16 -2.43 -0.18 0.00 1.34 0.00 0.00 72.50 71.08 2k9a s THR 55 CO 0.24 -0.28 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.30 2k9a n GLU 56 N -0.49 0.71 -2.81 3.99 1.02 -1.26 -4.91 120.64 116.88 2k9a n GLU 56 Ca -0.05 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 2k9a n GLU 56 Cb 0.64 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k9a s GLU 57 N -2.47 4.27 -0.02 3.49 2.12 -1.26 -4.99 118.70 119.84 2k9a s GLU 57 Ca -0.25 1.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.90 2k9a s GLU 57 Cb 0.07 -3.61 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 2k9a s GLU 57 CO 0.61 -0.46 1.95 1.21 -0.54 0.00 0.00 175.26 178.03 2k9a s ASN 58 N 1.22 6.35 0.18 -1.70 2.47 -1.26 -4.98 114.94 117.23 2k9a s ASN 58 Ca 0.40 2.48 -0.08 0.00 0.42 0.00 0.00 52.86 56.08 2k9a s ASN 58 Cb -0.16 -2.53 -0.07 0.00 -1.45 0.00 0.00 41.25 37.05 2k9a s ASN 58 CO 0.10 -1.16 0.48 -0.54 -3.72 0.00 0.00 177.10 172.26 2k9a s LYS 59 N 4.65 3.75 0.29 0.43 1.02 -1.26 -4.99 119.74 123.62 2k9a s LYS 59 Ca 0.87 0.16 0.25 0.00 0.02 0.00 0.00 55.97 57.27 2k9a s LYS 59 Cb -0.40 -2.75 0.62 0.00 -0.52 0.00 0.00 37.83 34.78 2k9a s LYS 59 CO 0.39 0.39 1.70 -0.07 -0.92 0.00 0.00 175.35 176.84 2k9a h LEU 60 N 2.78 0.00 -1.64 3.17 -0.00 -2.04 -3.22 115.31 114.36 2k9a h LEU 60 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2k9a h LEU 60 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2k9a h LEU 60 CO 0.70 0.00 0.00 -0.29 -0.00 0.00 0.00 178.44 178.85 2k9a h ILE 61 N 0.00 0.00 0.00 1.22 6.09 -2.02 -2.25 117.51 120.56 2k9a h ILE 61 Ca 0.00 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 63.25 2k9a h ILE 61 Cb 0.84 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 2k9a h ILE 61 CO 0.00 0.00 -0.10 1.88 -3.07 0.00 0.00 178.15 176.86 2k9a h TYR 62 N 0.00 0.00 0.06 2.19 0.05 -1.98 -2.88 116.97 114.41 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 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2k9a h TYR 62 CO 0.00 0.10 -0.03 1.15 -1.05 0.00 0.00 178.16 178.33 2k9a h THR 63 N 0.00 1.17 -0.51 -2.88 2.02 -1.65 -2.54 112.91 108.51 2k9a h THR 63 Ca -0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 2k9a h THR 63 Cb 0.58 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 2k9a h THR 63 CO 0.01 0.34 0.33 -0.65 0.37 0.00 0.00 175.52 175.92 2k9a h PRO 64 N -0.86 0.69 -0.14 6.66 0.11 -1.70 -2.02 132.00 134.73 2k9a h PRO 64 Ca -0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k9a h PRO 64 Cb 0.63 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.01 0.47 0.08 0.82 -0.21 0.00 0.00 178.00 179.18 2k9a h ILE 65 N 0.69 1.07 -1.00 4.15 2.04 -1.64 -2.11 117.51 120.71 2k9a h ILE 65 Ca 0.19 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2k9a h ILE 65 Cb -0.05 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2k9a h ILE 65 CO -0.04 0.06 0.65 0.15 0.00 0.00 0.00 178.15 178.97 2k9a h PHE 66 N 0.15 1.20 -0.29 1.37 3.57 -1.29 -0.79 116.94 120.85 2k9a h PHE 66 Ca 0.05 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 66 Cb 0.03 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 2k9a h PHE 66 CO -0.05 0.62 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.70 2k9a h ASN 67 N 1.17 0.43 -0.42 0.41 -0.26 -1.01 -2.21 115.58 113.68 2k9a h ASN 67 Ca 0.44 -0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 56.03 2k9a h ASN 67 Cb 0.18 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 2k9a h ASN 67 CO -0.18 0.51 0.05 -0.08 -1.06 0.00 0.00 177.43 176.68 2k9a h GLU 68 N 0.44 0.79 -0.30 0.81 4.57 -0.48 -0.75 114.58 119.66 2k9a h GLU 68 Ca 0.09 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.96 2k9a h GLU 68 Cb 0.33 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2k9a h GLU 68 CO 0.01 0.77 -0.34 -0.92 -1.18 0.00 0.00 179.01 177.34 2k9a h TYR 69 N 0.75 0.78 0.00 0.92 3.20 -1.01 0.44 116.97 122.05 2k9a h TYR 69 Ca 0.15 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 69 Cb 0.38 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2k9a h TYR 69 CO 0.02 0.92 -0.66 0.82 -1.64 0.00 0.00 178.16 177.62 2k9a h ILE 70 N 0.56 1.43 0.00 1.81 1.08 -1.05 -0.09 117.51 121.24 2k9a h ILE 70 Ca 0.06 -2.30 -0.22 0.00 -0.39 0.00 0.00 64.86 62.01 2k9a h ILE 70 Cb 0.85 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 36.82 2k9a h ILE 70 CO 0.07 0.65 -1.32 0.28 -0.69 0.00 0.00 178.15 177.14 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.00 -2.87 113.55 111.42 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k9a h SER 71 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k9a h SER 71 CO 0.09 0.85 -0.38 -0.11 -1.14 0.00 0.00 176.83 176.13 2k9a n LEU 72 N -3.11 1.30 0.11 5.07 -0.00 0.13 -4.17 117.00 116.33 2k9a n LEU 72 Ca -0.09 0.51 -0.05 0.00 -0.00 0.00 0.00 56.01 56.38 2k9a n LEU 72 Cb 0.94 -0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 2k9a n LEU 72 CO 0.45 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.11 2k9a h VAL 73 N -0.71 0.00 -0.95 1.96 2.07 -1.22 -2.04 116.25 115.36 2k9a h VAL 73 Ca 0.00 -0.56 0.18 0.00 0.82 0.00 0.00 66.70 67.13 2k9a h VAL 73 Cb 0.38 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 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 0.63 -0.10 1.57 4.81 -1.55 0.17 114.58 119.19 2k9a h GLU 74 Ca -0.04 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2k9a h GLU 74 Cb 0.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k9a h GLU 74 CO 0.06 0.42 -0.62 -0.22 -0.73 0.00 0.00 179.01 177.91 2k9a h LYS 75 N 0.65 0.34 0.65 1.92 1.63 -1.61 -2.75 116.57 117.39 2k9a h LYS 75 Ca 0.51 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2k9a h LYS 75 Cb 0.92 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2k9a h LYS 75 CO -0.26 0.86 -0.38 -0.92 -3.45 0.00 0.00 179.45 175.29 2k9a h TYR 76 N 0.25 -1.02 -0.45 1.91 3.20 0.09 -0.63 116.97 120.32 2k9a h TYR 76 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k9a h TYR 76 Cb 1.15 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 2k9a h TYR 76 CO 0.03 -0.59 0.29 0.82 -1.64 0.00 0.00 178.16 177.07 2k9a h ILE 77 N -0.97 1.09 -0.31 1.81 2.04 -1.52 -1.19 117.51 118.45 2k9a h ILE 77 Ca -0.08 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.63 2k9a h ILE 77 Cb 0.78 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2k9a h ILE 77 CO 0.09 0.11 0.03 -0.08 0.00 0.00 0.00 178.15 178.30 2k9a h GLU 78 N 0.58 0.13 -0.36 2.37 4.81 -1.39 -1.55 114.58 119.17 2k9a h GLU 78 Ca 0.17 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2k9a h GLU 78 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k9a h GLU 78 CO -0.05 0.08 0.03 0.93 -0.73 0.00 0.00 179.01 179.27 2k9a h GLU 79 N 0.13 0.61 -0.63 1.92 4.39 -0.90 -1.56 114.58 118.55 2k9a h GLU 79 Ca 0.15 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.71 2k9a h GLU 79 Cb 0.18 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2k9a h GLU 79 CO -0.22 0.71 0.42 1.96 -1.16 0.00 0.00 179.01 180.71 2k9a h GLN 80 N 0.44 0.68 0.08 2.33 1.08 -0.92 -1.63 115.11 117.16 2k9a h GLN 80 Ca 0.10 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 57.00 2k9a h GLN 80 Cb 0.41 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2k9a h GLN 80 CO 0.01 0.45 -1.13 -0.07 -0.95 0.00 0.00 178.83 177.14 2k9a h LEU 81 N 0.70 0.65 -1.80 1.46 3.38 -1.12 -3.21 115.31 115.38 2k9a h LEU 81 Ca 0.26 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2k9a h LEU 81 Cb 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2k9a h LEU 81 CO -0.08 1.41 -0.10 -0.07 0.09 0.00 0.00 178.44 179.69 2k9a h LEU 82 N 0.21 0.00 -2.04 1.67 3.38 -0.65 -1.54 115.31 116.34 2k9a h LEU 82 Ca -0.14 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2k9a h LEU 82 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2k9a h LEU 82 CO 0.20 0.10 0.37 1.56 0.09 0.00 0.00 178.44 180.77 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.31 -3.08 115.11 112.92 2k9a h GLN 83 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2k9a h GLN 83 Cb 0.41 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2k9a h GLN 83 CO 0.01 0.00 -1.04 -2.13 -0.95 0.00 0.00 178.83 174.73 2k9a n ARG 84 N -3.55 0.32 -3.60 1.46 0.63 -1.02 -4.93 116.66 105.97 2k9a n ARG 84 Ca 0.04 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.58 2k9a n ARG 84 Cb 0.51 -1.01 -0.08 0.00 0.45 0.00 0.00 32.46 32.33 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k9a s ILE 85 N -2.01 4.22 -1.42 5.15 1.09 -0.61 -4.91 121.20 122.71 2k9a s ILE 85 Ca -0.01 -2.53 0.18 0.00 -1.10 0.00 0.00 60.65 57.19 2k9a s ILE 85 Cb 0.00 -3.72 0.31 0.00 -1.06 0.00 0.00 42.46 37.99 2k9a s ILE 85 CO 0.01 -0.88 1.54 -0.81 -0.10 0.00 0.00 174.94 174.71 2k9a n PRO 86 N 3.98 0.25 -0.33 2.79 -0.04 -1.23 -2.14 135.00 138.27 2k9a n PRO 86 Ca 0.05 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2k9a n PRO 86 Cb 0.41 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.29 2.97 -2.56 0.54 1.02 -1.26 -5.01 120.64 115.05 2k9a n GLU 87 Ca 0.08 -2.47 -0.37 0.00 -0.02 0.00 0.00 57.16 54.39 2k9a n GLU 87 Cb 0.14 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.89 3.30 -0.27 -0.32 5.36 -0.91 -4.90 117.98 118.35 2k9a s PHE 88 Ca 0.34 1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 57.95 2k9a s PHE 88 Cb 0.23 -3.12 0.08 0.00 -0.34 0.00 0.00 43.02 39.88 2k9a s PHE 88 CO 0.13 -0.57 0.05 1.21 -1.46 0.00 0.00 175.22 174.58 2k9a s ASN 89 N -1.55 3.74 0.47 6.13 2.47 -1.26 -5.00 114.94 119.93 2k9a s ASN 89 Ca 0.57 -1.36 0.15 0.00 0.42 0.00 0.00 52.86 52.64 2k9a s ASN 89 Cb -0.22 -0.88 1.12 0.00 -1.45 0.00 0.00 41.25 39.82 2k9a s ASN 89 CO 0.28 -0.35 2.03 -0.03 -3.72 0.00 0.00 177.10 175.30 2k9a h MET 90 N 8.08 0.26 0.44 0.43 1.85 -1.96 0.71 114.93 124.75 2k9a h MET 90 Ca -0.15 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.91 2k9a h MET 90 Cb 1.05 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.03 2k9a h MET 90 CO 0.43 0.17 -0.21 0.00 -0.40 0.00 0.00 176.91 176.90 2k9a h ALA 91 N 1.78 -0.59 0.00 0.39 0.00 -2.01 -2.75 119.26 116.08 2k9a h ALA 91 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k9a h ALA 91 Cb 0.42 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k9a h ALA 91 CO -0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 179.25 178.45 2k9a h ALA 92 N -0.84 1.28 0.15 0.00 0.00 -1.95 -2.74 119.26 115.16 2k9a h ALA 92 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 92 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k9a h ALA 92 CO 0.10 0.19 -0.07 0.35 0.00 0.00 0.00 179.25 179.82 2k9a h PHE 93 N 0.00 -0.18 -0.64 0.00 3.57 -0.86 -2.29 116.94 116.54 2k9a h PHE 93 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 93 Cb 0.40 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2k9a h PHE 93 CO 0.00 0.12 0.29 1.79 -2.23 0.00 0.00 178.31 178.28 2k9a h THR 94 N -0.48 1.22 -0.49 4.41 1.35 -1.36 0.24 112.91 117.81 2k9a h THR 94 Ca -0.02 -0.65 0.05 0.00 -0.55 0.00 0.00 66.41 65.24 2k9a h THR 94 Cb 0.38 0.47 -0.05 0.00 -1.73 0.00 0.00 68.15 67.22 2k9a h THR 94 CO 0.03 0.26 0.21 0.74 -0.25 0.00 0.00 175.52 176.52 2k9a h THR 95 N 0.89 0.89 0.00 6.82 2.02 -1.48 -1.91 112.91 120.15 2k9a h THR 95 Ca 0.22 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 67.10 2k9a h THR 95 Cb 0.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2k9a h THR 95 CO -0.03 0.08 -0.75 0.74 0.37 0.00 0.00 175.52 175.93 2k9a h THR 96 N 0.41 1.45 -0.75 3.16 2.02 -1.19 -3.23 112.91 114.78 2k9a h THR 96 Ca 0.22 -2.64 0.04 0.00 0.77 0.00 0.00 66.41 64.80 2k9a h THR 96 Cb 0.19 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 2k9a h THR 96 CO -0.20 0.73 0.49 0.25 0.37 0.00 0.00 175.52 177.17 2k9a h LEU 97 N 0.00 0.77 -0.99 2.58 6.46 0.26 -2.04 115.31 122.36 2k9a h LEU 97 Ca -0.01 -0.01 0.20 0.00 -0.12 0.00 0.00 57.88 57.94 2k9a h LEU 97 Cb 1.40 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 41.04 2k9a h LEU 97 CO 0.10 0.53 0.59 1.56 -0.62 0.00 0.00 178.44 180.60 2k9a h GLN 98 N 0.90 0.70 0.24 1.25 4.20 -1.46 0.36 115.11 121.29 2k9a h GLN 98 Ca 0.30 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.65 2k9a h GLN 98 Cb 0.08 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 27.74 2k9a h GLN 98 CO -0.09 0.46 -1.44 0.45 -0.67 0.00 0.00 178.83 177.55 2k9a h HIS 99 N 0.72 0.92 0.00 2.96 3.86 -1.59 -3.21 115.15 118.81 2k9a h HIS 99 Ca 0.58 -0.67 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2k9a h HIS 99 Cb 0.93 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2k9a h HIS 99 CO -0.01 1.55 0.00 0.72 0.86 0.00 0.00 177.93 181.05 2k9a n HIS 100 N -3.76 0.00 0.30 2.45 8.25 -0.40 -2.67 115.22 119.40 2k9a n HIS 100 Ca -0.17 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.47 2k9a n HIS 100 Cb 1.07 -0.13 0.96 0.00 1.12 0.00 0.00 29.99 33.01 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 -0.36 -0.85 116.57 118.59 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 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2k9a h LYS 101 CO 0.00 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 176.96 2k9a n ASP 102 N -3.30 0.64 -0.03 4.20 9.92 -1.09 -3.44 116.55 123.45 2k9a n ASP 102 Ca -0.02 0.72 -0.05 0.00 -0.53 0.00 0.00 54.79 54.91 2k9a n ASP 102 Cb 0.16 -0.83 -0.02 0.00 -0.64 0.00 0.00 41.12 39.79 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k9a n GLU 103 N -2.27 0.11 -2.29 -1.24 4.07 -0.45 -5.04 120.64 113.53 2k9a n GLU 103 Ca 0.00 0.04 -0.36 0.00 -0.06 0.00 0.00 57.16 56.78 2k9a n GLU 103 Cb 0.14 -0.80 -0.01 0.00 -0.06 0.00 0.00 31.44 30.70 2k9a n GLU 103 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2k9a s VAL 104 N -2.09 3.20 -0.38 6.31 1.01 -0.46 -4.88 120.40 123.10 2k9a s VAL 104 Ca -0.07 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2k9a s VAL 104 Cb 0.02 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 2k9a s VAL 104 CO 0.10 -0.05 2.29 0.00 0.00 0.00 0.00 175.10 177.44 2k9a n ALA 105 N -0.64 1.22 0.19 5.51 0.00 -1.26 -4.71 120.51 120.82 2k9a n ALA 105 Ca 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.22 2k9a n ALA 105 Cb 0.49 -2.81 0.43 0.00 0.00 0.00 0.00 19.45 17.56 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 14.93 0.07 1.16 0.00 0.00 -1.90 -2.74 103.07 114.60 2k9a h GLY 106 Ca -0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2k9a h GLY 106 CO 1.05 0.04 0.24 1.29 0.00 0.00 0.00 176.54 179.17 2k9a h ASP 107 N 0.06 0.98 0.03 0.19 2.03 -1.97 0.11 116.42 117.85 2k9a h ASP 107 Ca 0.01 -0.16 -0.00 0.00 -0.73 0.00 0.00 57.03 56.15 2k9a h ASP 107 Cb 0.44 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 2k9a h ASP 107 CO 0.03 0.89 -0.01 0.40 -1.03 0.00 0.00 179.24 179.52 2k9a h ILE 108 N 1.02 1.39 -0.01 4.15 2.04 -1.89 -3.20 117.51 121.01 2k9a h ILE 108 Ca 0.23 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 2k9a h ILE 108 Cb 0.25 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2k9a h ILE 108 CO -0.01 0.36 -0.16 0.15 0.00 0.00 0.00 178.15 178.48 2k9a h PHE 109 N -0.67 0.01 -0.73 1.37 3.57 -1.47 -2.14 116.94 116.88 2k9a h PHE 109 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 109 Cb 0.61 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2k9a h PHE 109 CO 0.14 0.18 0.48 0.22 -2.23 0.00 0.00 178.31 177.10 2k9a h ASP 110 N 0.01 0.76 0.13 0.41 1.82 -0.78 1.18 116.42 119.96 2k9a h ASP 110 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.30 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2k9a h ASP 110 CO 0.02 0.52 -0.06 -0.03 -1.61 0.00 0.00 179.24 178.08 2k9a h MET 111 N 0.88 -0.17 0.00 0.28 4.05 -1.39 -3.21 114.93 115.37 2k9a h MET 111 Ca 0.29 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 2k9a h MET 111 Cb 0.07 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2k9a h MET 111 CO -0.09 0.29 0.00 1.37 0.23 0.00 0.00 176.91 178.71 2k9a h LEU 112 N -0.84 0.00 -1.70 3.39 8.10 -1.35 -2.86 115.31 120.05 2k9a h LEU 112 Ca -0.02 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.12 2k9a h LEU 112 Cb 0.54 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 2k9a h LEU 112 CO 0.03 0.00 0.64 0.25 -4.11 0.00 0.00 178.44 175.25 2k9a h LEU 113 N 0.00 0.00 0.00 0.17 5.85 0.14 -1.99 115.31 119.49 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 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2k9a h LEU 113 CO 0.00 0.00 0.14 0.35 -0.34 0.00 0.00 178.44 178.59 2k9a n THR 114 N -3.47 0.41 0.25 1.05 -2.24 -1.08 -1.21 114.28 107.99 2k9a n THR 114 Ca 0.10 0.25 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 2k9a n THR 114 Cb 0.83 -1.25 0.65 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.66 -3.32 116.94 116.77 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 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2k9a h PHE 115 CO 0.00 0.11 -0.63 0.25 -0.60 0.00 0.00 178.31 177.44 2k9a n THR 116 N -4.13 0.00 -2.85 -1.55 -2.24 -0.35 -4.93 114.28 98.23 2k9a n THR 116 Ca -0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 2k9a n THR 116 Cb 0.19 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -2.08 6.90 0.54 3.42 1.11 -1.09 -4.80 116.67 120.67 2k9a s ASP 117 Ca 0.00 -2.59 0.23 0.00 0.18 0.00 0.00 52.55 50.36 2k9a s ASP 117 Cb 0.00 -2.44 1.48 0.00 1.07 0.00 0.00 42.92 43.03 2k9a s ASP 117 CO 0.00 -0.94 2.16 0.15 1.18 0.00 0.00 175.17 177.72 2k9a h PHE 118 N 7.76 0.00 -0.76 4.23 3.57 -1.90 -1.70 116.94 128.14 2k9a h PHE 118 Ca 0.30 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 2k9a h PHE 118 Cb 0.91 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 2k9a h PHE 118 CO 1.19 0.04 0.25 -0.07 -2.23 0.00 0.00 178.31 177.49 2k9a h LEU 119 N 0.00 1.09 -0.46 0.59 -0.00 -1.95 -2.07 115.31 112.50 2k9a h LEU 119 Ca -0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 57.88 57.56 2k9a h LEU 119 Cb 0.08 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2k9a h LEU 119 CO 0.01 1.00 -0.57 0.00 -0.00 0.00 0.00 178.44 178.87 2k9a h ALA 120 N 1.15 0.77 0.36 1.53 0.00 -1.73 -2.77 119.26 118.57 2k9a h ALA 120 Ca 0.25 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 120 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 120 CO -0.01 0.71 -0.18 0.35 0.00 0.00 0.00 179.25 180.12 2k9a h PHE 121 N 0.00 -0.45 0.18 0.00 3.57 -0.91 -0.07 116.94 119.25 2k9a h PHE 121 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 121 Cb 1.24 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2k9a h PHE 121 CO 0.00 -0.17 -0.09 -0.22 -2.23 0.00 0.00 178.31 175.60 2k9a h LYS 122 N -0.69 -0.24 -0.17 1.11 3.64 -1.46 -2.48 116.57 116.29 2k9a h LYS 122 Ca -0.05 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2k9a h LYS 122 Cb 0.49 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2k9a h LYS 122 CO 0.08 -0.08 0.12 0.93 -2.27 0.00 0.00 179.45 178.23 2k9a h GLU 123 N -0.34 0.00 -0.16 1.90 4.39 -1.54 -1.94 114.58 116.90 2k9a h GLU 123 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2k9a h GLU 123 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2k9a h GLU 123 CO 0.04 0.00 0.05 1.98 -1.16 0.00 0.00 179.01 179.92 2k9a h MET 124 N 0.00 0.24 -0.48 2.33 4.05 -0.54 -1.70 114.93 118.83 2k9a h MET 124 Ca 0.08 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 2k9a h MET 124 Cb 0.33 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2k9a h MET 124 CO -0.00 0.36 -0.01 0.74 0.23 0.00 0.00 176.91 178.22 2k9a h PHE 125 N 0.08 0.93 -0.38 1.39 0.04 -1.14 -2.49 116.94 115.38 2k9a h PHE 125 Ca 0.05 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2k9a h PHE 125 Cb 0.22 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2k9a h PHE 125 CO -0.00 0.89 0.24 -0.07 -0.60 0.00 0.00 178.31 178.77 2k9a h LEU 126 N 0.71 0.44 -0.09 1.54 3.38 -1.30 -0.78 115.31 119.20 2k9a h LEU 126 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2k9a h LEU 126 Cb 0.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k9a h LEU 126 CO 0.03 0.32 -0.11 -0.78 0.09 0.00 0.00 178.44 177.99 2k9a h ASP 127 N 0.52 0.26 -0.69 -0.43 3.58 -1.07 -2.63 116.42 115.96 2k9a h ASP 127 Ca 0.14 -0.51 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 2k9a h ASP 127 Cb -0.05 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2k9a h ASP 127 CO -0.03 0.71 0.36 0.22 -2.88 0.00 0.00 179.24 177.63 2k9a h TYR 128 N -0.19 0.98 -0.59 0.28 3.20 -1.05 -2.18 116.97 117.42 2k9a h TYR 128 Ca 0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 128 Cb 0.65 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2k9a h TYR 128 CO 0.09 0.69 0.30 -0.09 -1.64 0.00 0.00 178.16 177.52 2k9a h ARG 129 N 0.99 0.84 -0.04 1.82 2.43 -1.13 -2.21 114.38 117.09 2k9a h ARG 129 Ca 0.25 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2k9a h ARG 129 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2k9a h ARG 129 CO -0.04 0.67 -0.20 0.00 -1.51 0.00 0.00 179.97 178.89 2k9a h ALA 130 N 1.13 1.60 -0.06 2.80 0.00 -1.06 -2.15 119.26 121.53 2k9a h ALA 130 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k9a h ALA 130 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k9a h ALA 130 CO -0.03 0.30 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 2k9a h GLU 131 N 0.05 0.08 -0.45 0.00 4.81 -0.79 -0.49 114.58 117.79 2k9a h GLU 131 Ca 0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2k9a h GLU 131 Cb 0.39 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k9a h GLU 131 CO 0.03 0.09 0.22 0.87 -0.73 0.00 0.00 179.01 179.49 2k9a h LYS 132 N 0.08 0.65 -0.15 1.92 1.79 -1.33 -2.17 116.57 117.36 2k9a h LYS 132 Ca 0.02 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2k9a h LYS 132 Cb 0.07 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2k9a h LYS 132 CO 0.00 0.55 0.00 0.39 -1.08 0.00 0.00 179.45 179.31 2k9a n GLU 133 N -4.65 1.74 0.45 3.15 -0.58 -0.86 -4.35 120.64 115.54 2k9a n GLU 133 Ca 0.01 -1.10 -0.18 0.00 -0.42 0.00 0.00 57.16 55.47 2k9a n GLU 133 Cb 0.11 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.49 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2k9a h GLY 134 N 4.98 -1.20 -7.22 0.62 0.00 -0.42 -3.39 103.07 96.44 2k9a h GLY 134 Ca 0.00 0.45 -0.68 0.00 0.00 0.00 0.00 47.33 47.10 2k9a h GLY 134 CO 0.00 -0.44 0.08 -1.60 0.00 0.00 0.00 176.54 174.59 2k9a s ARG 135 N -5.42 3.15 0.00 4.80 6.06 -1.26 -5.10 118.95 121.19 2k9a s ARG 135 Ca -0.17 -0.78 0.00 0.00 -2.50 0.00 0.00 55.73 52.28 2k9a s ARG 135 Cb 0.02 -4.07 0.00 0.00 0.06 0.00 0.00 34.95 30.95 2k9a s ARG 135 CO 0.50 -1.20 0.00 0.41 -2.50 0.00 0.00 175.30 172.51