#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 -1.82 -4.65 3.17 -0.08 -1.26 -5.13 116.55 106.78 2k9a n ASP 2 Ca 0.00 0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 53.43 2k9a n ASP 2 Cb 0.00 1.87 -0.09 0.00 2.34 0.00 0.00 41.12 45.24 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 -2.00 3.20 0.53 -1.67 0.00 -1.26 -5.13 121.76 115.43 2k9a s ALA 3 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2k9a s ALA 3 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2k9a s ALA 3 CO 0.00 0.62 0.16 -0.51 0.00 0.00 0.00 175.76 176.03 2k9a s LEU 4 N -1.35 2.43 0.05 0.00 1.43 -1.26 -5.07 118.68 114.91 2k9a s LEU 4 Ca 0.17 -1.51 -0.32 0.00 -1.03 0.00 0.00 54.13 51.44 2k9a s LEU 4 Cb -0.11 -0.90 -0.11 0.00 0.03 0.00 0.00 46.19 45.09 2k9a s LEU 4 CO 0.08 -0.97 1.82 -0.62 0.23 0.00 0.00 176.35 176.89 2k9a n GLU 5 N -1.47 2.50 -0.01 1.70 1.02 -1.26 -4.86 120.64 118.26 2k9a n GLU 5 Ca -0.13 0.91 -0.02 0.00 -0.02 0.00 0.00 57.16 57.90 2k9a n GLU 5 Cb 0.66 -2.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.29 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 4.18 -0.03 0.40 0.62 0.00 -1.26 -4.85 105.19 104.25 2k9a n GLY 6 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2k9a n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k9a n GLU 7 N -2.81 0.45 -0.20 1.61 1.02 -1.26 -4.72 120.64 114.72 2k9a n GLU 7 Ca -0.04 -1.60 0.02 0.00 -0.02 0.00 0.00 57.16 55.52 2k9a n GLU 7 Cb 0.54 -0.83 0.28 0.00 -0.02 0.00 0.00 31.44 31.41 2k9a n GLU 7 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2k9a h SER 8 N 0.06 0.80 0.00 1.62 0.02 -1.96 -3.06 113.55 111.03 2k9a h SER 8 Ca -0.01 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 2k9a h SER 8 Cb 1.28 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2k9a h SER 8 CO 0.00 0.56 -1.89 0.49 -1.14 0.00 0.00 176.83 174.86 2k9a n PHE 9 N -4.44 0.00 -2.20 3.45 3.01 -1.26 -4.99 117.46 111.03 2k9a n PHE 9 Ca 0.09 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.18 2k9a n PHE 9 Cb 0.08 -0.57 -0.00 0.00 -0.01 0.00 0.00 39.48 38.98 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k9a s ALA 10 N -2.72 2.94 -0.39 4.37 0.00 -1.16 -4.97 121.76 119.84 2k9a s ALA 10 Ca -0.07 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 2k9a s ALA 10 Cb 0.07 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2k9a s ALA 10 CO 0.64 -0.74 0.96 -1.17 0.00 0.00 0.00 175.76 175.44 2k9a s LEU 11 N -3.11 3.96 0.37 0.00 2.96 -1.26 -4.88 118.68 116.71 2k9a s LEU 11 Ca 0.65 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2k9a s LEU 11 Cb -0.30 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 2k9a s LEU 11 CO 0.36 -0.93 0.56 -0.55 -1.32 0.00 0.00 176.35 174.46 2k9a s SER 12 N 1.99 6.07 -0.36 3.68 0.15 -1.26 -5.03 113.70 118.93 2k9a s SER 12 Ca 0.39 0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.98 2k9a s SER 12 Cb -0.11 -1.68 -0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2k9a s SER 12 CO 0.21 -0.44 1.56 0.12 1.20 0.00 0.00 173.24 175.88 2k9a s PHE 13 N -2.34 2.18 0.09 3.44 5.36 -1.26 -5.00 117.98 120.45 2k9a s PHE 13 Ca 0.43 0.65 0.08 0.00 -0.96 0.00 0.00 56.93 57.13 2k9a s PHE 13 Cb -0.10 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.34 2k9a s PHE 13 CO 0.35 -2.39 -0.17 0.45 -1.46 0.00 0.00 175.22 171.99 2k9a s SER 14 N 4.65 3.91 0.00 6.13 0.15 -1.26 -4.98 113.70 122.29 2k9a s SER 14 Ca 0.68 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2k9a s SER 14 Cb -0.18 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2k9a s SER 14 CO 0.32 0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.77 2k9a n SER 15 N 1.06 0.00 0.29 5.45 7.64 -1.26 -4.38 113.62 122.43 2k9a n SER 15 Ca -0.16 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.87 2k9a n SER 15 Cb 0.52 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.53 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a h ALA 16 N 0.00 1.22 0.00 -0.43 0.00 -1.95 0.18 119.26 118.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k9a h ALA 16 CO 0.00 -0.22 -0.31 0.43 0.00 0.00 0.00 179.25 179.15 2k9a n SER 17 N -2.73 0.19 0.00 0.00 7.64 -1.26 -4.26 113.62 113.20 2k9a n SER 17 Ca -0.02 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.09 2k9a n SER 17 Cb 0.28 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k9a n ASP 18 N -0.10 0.00 0.22 6.43 8.00 -0.53 -4.82 116.55 125.76 2k9a n ASP 18 Ca 0.01 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 2k9a n ASP 18 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a h ALA 19 N 0.54 -0.61 -0.28 2.24 0.00 -1.73 -1.80 119.26 117.62 2k9a h ALA 19 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k9a h ALA 19 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k9a h ALA 19 CO 0.00 -0.64 0.18 1.49 0.00 0.00 0.00 179.25 180.28 2k9a h GLU 20 N -1.01 0.38 -0.68 0.00 4.81 -1.03 -2.19 114.58 114.85 2k9a h GLU 20 Ca -0.06 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2k9a h GLU 20 Cb 0.57 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2k9a h GLU 20 CO 0.10 0.27 0.37 0.35 -0.73 0.00 0.00 179.01 179.38 2k9a h PHE 21 N 0.37 0.68 -0.90 0.92 3.04 -1.50 -1.65 116.94 117.90 2k9a h PHE 21 Ca 0.10 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.11 2k9a h PHE 21 Cb -0.02 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.23 2k9a h PHE 21 CO -0.05 0.32 0.59 0.22 -2.02 0.00 0.00 178.31 177.37 2k9a h ASP 22 N 0.69 0.98 -0.57 0.41 3.58 -0.97 -2.19 116.42 118.34 2k9a h ASP 22 Ca 0.31 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.79 2k9a h ASP 22 Cb 0.20 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 2k9a h ASP 22 CO -0.19 0.68 0.31 0.00 -2.88 0.00 0.00 179.24 177.16 2k9a h ALA 23 N 1.37 0.75 -0.42 -0.78 0.00 -0.69 -2.33 119.26 117.16 2k9a h ALA 23 Ca 0.36 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.30 2k9a h ALA 23 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2k9a h ALA 23 CO -0.11 -0.02 0.24 0.28 0.00 0.00 0.00 179.25 179.64 2k9a h VAL 24 N 0.59 1.03 -0.70 0.00 2.07 -1.02 -2.52 116.25 115.70 2k9a h VAL 24 Ca 0.25 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.72 2k9a h VAL 24 Cb 0.14 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 2k9a h VAL 24 CO -0.16 0.09 0.29 0.58 0.02 0.00 0.00 177.57 178.39 2k9a h VAL 25 N 0.49 0.73 -0.17 2.57 2.07 -1.01 -1.12 116.25 119.81 2k9a h VAL 25 Ca 0.17 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2k9a h VAL 25 Cb 0.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2k9a h VAL 25 CO -0.08 0.09 0.10 1.23 0.02 0.00 0.00 177.57 178.92 2k9a h GLY 26 N 0.47 0.23 1.86 2.17 0.00 -1.10 -2.09 103.07 104.61 2k9a h GLY 26 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2k9a h GLY 26 CO -0.34 0.07 0.09 -0.97 0.00 0.00 0.00 176.54 175.39 2k9a h TYR 27 N 0.20 0.18 -0.30 5.60 0.05 -1.04 -2.20 116.97 119.46 2k9a h TYR 27 Ca 0.06 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 2k9a h TYR 27 Cb -0.01 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 2k9a h TYR 27 CO -0.08 0.11 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.00 2k9a h LEU 28 N 0.19 0.59 -0.67 3.88 3.38 -0.59 -3.00 115.31 119.09 2k9a h LEU 28 Ca 0.05 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2k9a h LEU 28 Cb -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2k9a h LEU 28 CO -0.01 0.82 0.41 -0.33 0.09 0.00 0.00 178.44 179.42 2k9a h GLU 29 N 0.36 0.78 -0.28 1.13 5.08 -0.79 -1.25 114.58 119.60 2k9a h GLU 29 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 29 Cb 0.56 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k9a h GLU 29 CO 0.03 0.51 0.19 -0.44 -1.00 0.00 0.00 179.01 178.31 2k9a h ASP 30 N 0.80 0.27 0.42 1.42 3.32 -1.44 -1.85 116.42 119.35 2k9a h ASP 30 Ca 0.27 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.07 2k9a h ASP 30 Cb 0.04 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2k9a h ASP 30 CO -0.12 0.19 -1.06 0.40 -1.72 0.00 0.00 179.24 176.93 2k9a h ILE 31 N 0.31 1.42 -0.40 0.35 2.04 -1.15 -2.79 117.51 117.30 2k9a h ILE 31 Ca 0.11 -2.64 -0.04 0.00 1.00 0.00 0.00 64.86 63.29 2k9a h ILE 31 Cb 0.07 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2k9a h ILE 31 CO -0.02 0.78 0.09 0.40 0.00 0.00 0.00 178.15 179.40 2k9a h ILE 32 N 0.18 1.23 -0.06 -0.67 2.04 -0.50 -2.48 117.51 117.25 2k9a h ILE 32 Ca -0.11 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2k9a h ILE 32 Cb 1.73 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2k9a h ILE 32 CO 0.18 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.84 2k9a n MET 33 N -4.56 1.31 -2.01 2.37 2.81 -0.77 -4.68 117.12 111.59 2k9a n MET 33 Ca -0.01 -0.46 -0.42 0.00 -1.81 0.00 0.00 57.70 55.00 2k9a n MET 33 Cb 0.21 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.66 6.66 0.12 7.83 -1.08 -0.93 -4.92 116.67 122.68 2k9a s ASP 34 Ca 0.33 2.59 -0.21 0.00 -0.52 0.00 0.00 52.55 54.74 2k9a s ASP 34 Cb 0.16 -2.61 -0.07 0.00 -1.46 0.00 0.00 42.92 38.95 2k9a s ASP 34 CO 0.26 -0.74 1.73 0.44 0.52 0.00 0.00 175.17 177.39 2k9a h ASP 35 N 5.98 -0.01 0.12 -0.34 5.19 -1.90 -1.41 116.42 124.04 2k9a h ASP 35 Ca -0.44 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2k9a h ASP 35 Cb 1.21 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 2k9a h ASP 35 CO 0.84 0.02 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.86 2k9a h GLU 36 N 0.08 0.00 -0.07 3.56 4.81 -1.95 -1.98 114.58 119.02 2k9a h GLU 36 Ca 0.07 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.06 2k9a h GLU 36 Cb 0.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.46 2k9a h GLU 36 CO -0.10 0.04 -0.89 0.35 -0.73 0.00 0.00 179.01 177.67 2k9a h PHE 37 N 0.00 1.04 -0.29 0.92 3.57 -1.56 -2.43 116.94 118.19 2k9a h PHE 37 Ca -0.00 -0.52 -0.11 0.00 3.53 0.00 0.00 57.97 60.87 2k9a h PHE 37 Cb 0.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2k9a h PHE 37 CO 0.00 1.35 -0.29 1.96 -2.23 0.00 0.00 178.31 179.10 2k9a h GLN 38 N 0.44 0.61 0.03 1.11 4.20 -0.67 -0.83 115.11 120.00 2k9a h GLN 38 Ca -0.09 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 2k9a h GLN 38 Cb 1.54 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2k9a h GLN 38 CO 0.18 0.83 -0.02 1.25 -0.67 0.00 0.00 178.83 180.40 2k9a h LEU 39 N 0.52 -0.04 -0.72 1.46 7.12 -1.45 -1.75 115.31 120.45 2k9a h LEU 39 Ca 0.07 -0.41 -0.07 0.00 0.13 0.00 0.00 57.88 57.60 2k9a h LEU 39 Cb 0.77 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.87 2k9a h LEU 39 CO 0.06 0.40 0.19 0.25 -0.13 0.00 0.00 178.44 179.21 2k9a h LEU 40 N -0.48 1.09 -0.06 2.25 6.46 -1.43 0.21 115.31 123.33 2k9a h LEU 40 Ca -0.00 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2k9a h LEU 40 Cb 0.45 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2k9a h LEU 40 CO 0.01 1.03 0.01 -0.61 -0.62 0.00 0.00 178.44 178.26 2k9a h GLN 41 N 1.09 0.11 -0.11 1.25 5.75 -1.18 -2.72 115.11 119.30 2k9a h GLN 41 Ca 0.23 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.59 2k9a h GLN 41 Cb 0.36 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2k9a h GLN 41 CO -0.00 0.32 -0.44 -0.09 -2.65 0.00 0.00 178.83 175.97 2k9a h ARG 42 N -0.13 0.25 -0.15 1.69 1.12 -1.26 -1.80 114.38 114.10 2k9a h ARG 42 Ca 0.02 -0.12 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2k9a h ARG 42 Cb 0.27 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2k9a h ARG 42 CO 0.00 0.64 0.08 -0.97 -3.11 0.00 0.00 179.97 176.62 2k9a h ASN 43 N 0.20 0.18 0.07 -3.80 -0.73 -0.86 -1.83 115.58 108.81 2k9a h ASN 43 Ca 0.02 -0.07 -0.28 0.00 1.87 0.00 0.00 56.30 57.84 2k9a h ASN 43 Cb 0.86 -0.05 0.03 0.00 0.27 0.00 0.00 38.32 39.43 2k9a h ASN 43 CO 0.07 0.20 -1.13 -0.26 -0.37 0.00 0.00 177.43 175.93 2k9a h PHE 44 N 0.15 1.01 0.00 0.67 -1.00 -1.48 -3.23 116.94 113.06 2k9a h PHE 44 Ca 0.05 -0.60 -0.01 0.00 2.81 0.00 0.00 57.97 60.23 2k9a h PHE 44 Cb 0.05 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 2k9a h PHE 44 CO -0.05 1.44 -0.03 0.00 -1.61 0.00 0.00 178.31 178.06 2k9a h MET 45 N 0.30 0.00 -0.25 1.51 -0.00 -1.31 -1.42 114.93 113.77 2k9a h MET 45 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.57 2k9a h MET 45 Cb 1.80 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.39 2k9a h MET 45 CO 0.22 0.03 0.17 0.22 -0.00 0.00 0.00 176.91 177.55 2k9a h ASP 46 N 0.00 0.18 0.11 -0.10 3.58 -1.35 -1.20 116.42 117.64 2k9a h ASP 46 Ca -0.00 -0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 2k9a h ASP 46 Cb 0.07 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2k9a h ASP 46 CO 0.00 0.12 -2.19 0.29 -2.88 0.00 0.00 179.24 174.58 2k9a n LYS 47 N -4.49 0.69 0.11 0.28 4.76 -0.61 -4.24 118.16 114.66 2k9a n LYS 47 Ca 0.02 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.52 2k9a n LYS 47 Cb 0.17 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.68 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 0.03 -0.32 0.00 2.13 -1.99 -1.12 -1.69 116.97 114.00 2k9a h TYR 48 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 2.01 0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.87 2k9a h TYR 48 CO 0.04 -0.19 0.03 0.10 -0.00 0.00 0.00 178.16 178.14 2k9a h TYR 49 N -0.28 0.00 0.14 4.88 -0.00 -1.44 -0.97 116.97 119.30 2k9a h TYR 49 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.55 2k9a h TYR 49 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.02 2k9a h TYR 49 CO -0.12 0.00 -0.83 -0.07 -0.00 0.00 0.00 178.16 177.14 2k9a h LEU 50 N 0.00 0.47 -0.66 0.10 3.38 -1.49 -3.33 115.31 113.77 2k9a h LEU 50 Ca 0.00 -0.95 -0.14 0.00 0.09 0.00 0.00 57.88 56.88 2k9a h LEU 50 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k9a h LEU 50 CO 0.00 1.40 -0.52 -0.33 0.09 0.00 0.00 178.44 179.08 2k9a h GLU 51 N -0.37 0.39 -5.82 1.13 4.39 -0.93 -3.37 114.58 110.00 2k9a h GLU 51 Ca -0.15 -0.23 -0.66 0.00 0.34 0.00 0.00 59.36 58.66 2k9a h GLU 51 Cb 1.65 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 30.22 2k9a h GLU 51 CO 0.15 0.82 1.88 -0.06 -1.16 0.00 0.00 179.01 180.64 2k9a s PHE 52 N -3.98 2.78 -0.04 4.33 0.40 -0.46 -4.97 117.98 116.04 2k9a s PHE 52 Ca -0.06 -1.43 -0.02 0.00 -0.60 0.00 0.00 56.93 54.83 2k9a s PHE 52 Cb 0.12 -4.69 -0.04 0.00 0.51 0.00 0.00 43.02 38.92 2k9a s PHE 52 CO 0.81 -1.80 0.08 -1.83 0.70 0.00 0.00 175.22 173.17 2k9a s GLU 53 N 4.18 3.12 -0.70 0.44 -1.05 -1.26 -4.78 118.70 118.65 2k9a s GLU 53 Ca 0.50 -0.41 -0.26 0.00 -0.15 0.00 0.00 54.97 54.65 2k9a s GLU 53 Cb 0.02 -2.90 -0.00 0.00 -0.44 0.00 0.00 34.13 30.80 2k9a s GLU 53 CO 0.01 0.68 1.67 0.34 0.95 0.00 0.00 175.26 178.92 2k9a s ASP 54 N -1.44 5.59 0.24 0.83 2.15 -1.26 -4.93 116.67 117.85 2k9a s ASP 54 Ca 0.20 -0.10 0.02 0.00 0.43 0.00 0.00 52.55 53.09 2k9a s ASP 54 Cb -0.12 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2k9a s ASP 54 CO 0.10 -2.21 0.17 0.42 -0.17 0.00 0.00 175.17 173.49 2k9a s THR 55 N 7.95 0.03 -0.65 1.71 -4.23 -1.26 -5.05 115.64 114.14 2k9a s THR 55 Ca 0.57 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.31 2k9a s THR 55 Cb -0.10 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2k9a s THR 55 CO 0.15 0.00 1.17 -1.84 -0.54 0.00 0.00 174.62 173.56 2k9a n GLU 56 N -0.39 0.27 -3.46 3.99 0.28 -1.26 -4.83 120.64 115.23 2k9a n GLU 56 Ca 0.03 0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.69 2k9a n GLU 56 Cb 0.65 -1.62 -0.09 0.00 1.43 0.00 0.00 31.44 31.81 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k9a s GLU 57 N -3.17 4.09 0.13 3.44 2.12 -1.26 -5.07 118.70 118.98 2k9a s GLU 57 Ca 0.05 0.02 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 2k9a s GLU 57 Cb 0.14 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 2k9a s GLU 57 CO 0.76 -0.09 0.56 0.54 -0.54 0.00 0.00 175.26 176.49 2k9a s ASN 58 N 1.26 6.90 0.11 -1.70 2.20 -1.26 -5.09 114.94 117.36 2k9a s ASN 58 Ca 0.15 1.15 0.09 0.00 -0.94 0.00 0.00 52.86 53.30 2k9a s ASN 58 Cb -0.15 -2.31 -0.04 0.00 -2.00 0.00 0.00 41.25 36.75 2k9a s ASN 58 CO 0.08 0.15 -0.20 -0.54 -2.94 0.00 0.00 177.10 173.65 2k9a s LYS 59 N -1.72 1.74 0.00 3.55 1.02 -1.26 -5.01 119.74 118.06 2k9a s LYS 59 Ca 0.35 -1.19 0.29 0.00 0.02 0.00 0.00 55.97 55.44 2k9a s LYS 59 Cb -0.16 -2.08 1.31 0.00 -0.52 0.00 0.00 37.83 36.38 2k9a s LYS 59 CO 0.19 0.48 1.96 -0.11 -0.92 0.00 0.00 175.35 176.95 2k9a n LEU 60 N 0.88 0.00 0.18 3.17 7.94 -1.26 -3.28 117.00 124.64 2k9a n LEU 60 Ca -0.16 0.44 0.14 0.00 -1.11 0.00 0.00 56.01 55.32 2k9a n LEU 60 Cb 0.53 -0.44 0.60 0.00 0.53 0.00 0.00 43.42 44.63 2k9a n LEU 60 CO 0.27 -0.00 0.90 -0.29 -1.11 0.00 0.00 177.39 177.16 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.02 -2.45 117.51 121.09 2k9a h ILE 61 Ca 0.00 -0.24 -0.04 0.00 -1.37 0.00 0.00 64.86 63.21 2k9a h ILE 61 Cb 0.44 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 2k9a h ILE 61 CO 0.00 0.00 -0.17 1.88 -3.07 0.00 0.00 178.15 176.79 2k9a h TYR 62 N 0.00 0.00 0.15 2.19 0.05 -1.98 -2.79 116.97 114.58 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 62 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2k9a h TYR 62 CO 0.00 0.17 -0.07 1.15 -1.05 0.00 0.00 178.16 178.36 2k9a h THR 63 N 0.00 0.98 -0.56 -2.88 2.02 -1.70 -2.52 112.91 108.25 2k9a h THR 63 Ca -0.00 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 2k9a h THR 63 Cb 0.68 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2k9a h THR 63 CO 0.02 0.22 0.10 1.55 0.37 0.00 0.00 175.52 177.78 2k9a h PRO 64 N -0.72 0.93 -0.66 6.66 0.13 -1.72 -2.30 132.00 134.31 2k9a h PRO 64 Ca -0.02 -0.24 0.05 0.00 -0.87 0.00 0.00 66.00 64.91 2k9a h PRO 64 Cb 0.52 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 2k9a h PRO 64 CO 0.03 0.88 0.38 0.82 -0.23 0.00 0.00 178.00 179.89 2k9a h ILE 65 N 0.82 1.01 -0.48 -3.56 2.04 -1.59 -0.88 117.51 114.87 2k9a h ILE 65 Ca 0.17 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 2k9a h ILE 65 Cb 0.40 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2k9a h ILE 65 CO 0.01 0.13 0.11 0.15 0.00 0.00 0.00 178.15 178.55 2k9a h PHE 66 N 0.72 0.82 0.00 1.37 3.57 -1.31 -2.26 116.94 119.85 2k9a h PHE 66 Ca 0.29 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2k9a h PHE 66 Cb 0.13 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2k9a h PHE 66 CO -0.07 0.74 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.79 2k9a h ASN 67 N 0.66 0.00 -0.02 0.41 2.35 -0.83 -1.43 115.58 116.72 2k9a h ASN 67 Ca 0.15 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.71 2k9a h ASN 67 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2k9a h ASN 67 CO 0.00 0.05 -0.68 -0.08 -1.65 0.00 0.00 177.43 175.07 2k9a h GLU 68 N 0.00 0.65 -0.66 0.81 4.81 -0.63 -1.81 114.58 117.76 2k9a h GLU 68 Ca -0.00 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 2k9a h GLU 68 Cb 0.10 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2k9a h GLU 68 CO 0.01 1.11 0.10 -0.92 -0.73 0.00 0.00 179.01 178.57 2k9a h TYR 69 N 0.46 1.18 0.00 0.92 3.20 -0.79 -1.17 116.97 120.77 2k9a h TYR 69 Ca -0.02 -0.17 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 2k9a h TYR 69 Cb 1.28 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k9a h TYR 69 CO 0.06 0.99 -0.64 0.82 -1.64 0.00 0.00 178.16 177.75 2k9a h ILE 70 N 1.02 1.39 -0.12 1.81 1.08 -1.38 1.00 117.51 122.31 2k9a h ILE 70 Ca 0.20 -2.25 -0.21 0.00 -0.39 0.00 0.00 64.86 62.22 2k9a h ILE 70 Cb 0.45 2.24 0.01 0.00 -3.07 0.00 0.00 36.82 36.45 2k9a h ILE 70 CO 0.01 0.63 -0.73 -1.28 -0.69 0.00 0.00 178.15 176.09 2k9a h SER 71 N 0.00 0.84 0.00 1.72 0.87 -1.03 -3.02 113.55 112.92 2k9a h SER 71 Ca -0.01 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2k9a h SER 71 Cb 1.18 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2k9a h SER 71 CO 0.08 1.36 -0.40 0.25 -0.53 0.00 0.00 176.83 177.59 2k9a h LEU 72 N 0.39 0.00 0.66 2.23 5.85 -1.23 -3.36 115.31 119.85 2k9a h LEU 72 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2k9a h LEU 72 Cb 1.37 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.41 2k9a h LEU 72 CO 0.15 0.61 -0.32 0.58 -0.34 0.00 0.00 178.44 179.12 2k9a h VAL 73 N -0.81 0.00 -0.97 1.05 2.07 -1.01 -0.03 116.25 116.54 2k9a h VAL 73 Ca 0.00 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.40 2k9a h VAL 73 Cb 0.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 2k9a h VAL 73 CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 2k9a h GLU 74 N -1.20 0.65 0.00 1.57 4.22 -1.47 0.36 114.58 118.71 2k9a h GLU 74 Ca -0.09 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.25 2k9a h GLU 74 Cb 0.68 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k9a h GLU 74 CO 0.15 0.43 -0.31 0.87 -2.18 0.00 0.00 179.01 177.97 2k9a h LYS 75 N 0.67 0.00 0.14 1.92 1.79 -1.53 -2.56 116.57 117.00 2k9a h LYS 75 Ca 0.54 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.00 2k9a h LYS 75 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2k9a h LYS 75 CO -0.30 0.31 -0.07 -0.92 -1.08 0.00 0.00 179.45 177.39 2k9a h TYR 76 N 0.00 -0.18 -0.20 -1.35 5.03 0.17 -0.75 116.97 119.70 2k9a h TYR 76 Ca -0.00 -0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 2k9a h TYR 76 Cb 1.11 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2k9a h TYR 76 CO 0.00 0.04 -0.66 0.82 -1.32 0.00 0.00 178.16 177.04 2k9a h ILE 77 N -0.38 1.29 -0.10 1.81 2.04 -1.53 -2.57 117.51 118.08 2k9a h ILE 77 Ca -0.02 -1.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.95 2k9a h ILE 77 Cb 0.30 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2k9a h ILE 77 CO 0.03 0.60 0.06 -0.08 0.00 0.00 0.00 178.15 178.76 2k9a h GLU 78 N 0.54 0.14 -0.61 2.37 4.81 -1.45 -2.37 114.58 118.01 2k9a h GLU 78 Ca -0.02 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2k9a h GLU 78 Cb 1.27 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2k9a h GLU 78 CO 0.14 0.14 0.02 0.93 -0.73 0.00 0.00 179.01 179.51 2k9a h GLU 79 N 0.11 1.06 -0.54 1.92 5.08 -1.19 -2.46 114.58 118.55 2k9a h GLU 79 Ca 0.04 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2k9a h GLU 79 Cb 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2k9a h GLU 79 CO -0.01 1.03 0.36 1.96 -1.00 0.00 0.00 179.01 181.35 2k9a h GLN 80 N 0.96 0.55 0.01 2.33 1.08 -1.29 -1.58 115.11 117.18 2k9a h GLN 80 Ca 0.18 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 57.11 2k9a h GLN 80 Cb 0.53 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2k9a h GLN 80 CO 0.03 0.37 -0.97 -0.07 -0.95 0.00 0.00 178.83 177.23 2k9a h LEU 81 N 0.57 0.56 -1.65 1.46 3.38 -1.19 -3.16 115.31 115.28 2k9a h LEU 81 Ca 0.23 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2k9a h LEU 81 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k9a h LEU 81 CO -0.06 1.26 -0.12 -0.07 0.09 0.00 0.00 178.44 179.54 2k9a h LEU 82 N 0.23 0.00 -2.58 1.67 3.38 -0.85 -0.96 115.31 116.20 2k9a h LEU 82 Ca -0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k9a h LEU 82 Cb 1.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 2k9a h LEU 82 CO 0.17 0.12 0.08 1.56 0.09 0.00 0.00 178.44 180.46 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.30 -2.90 115.11 116.24 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 83 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2k9a h GLN 83 CO 0.02 0.00 -0.92 0.54 -0.67 0.00 0.00 178.83 177.79 2k9a n ARG 84 N -3.43 0.89 -3.73 1.46 1.74 -1.02 -4.93 116.66 107.64 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.16 -0.96 -0.14 0.00 -1.02 0.00 0.00 32.46 30.50 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k9a s ILE 85 N -1.86 1.31 -1.60 0.55 1.01 -0.40 -4.96 121.20 115.25 2k9a s ILE 85 Ca 0.00 -2.26 0.22 0.00 0.00 0.00 0.00 60.65 58.62 2k9a s ILE 85 Cb 0.00 -1.93 0.47 0.00 0.01 0.00 0.00 42.46 41.00 2k9a s ILE 85 CO 0.00 -0.83 1.73 -0.81 0.00 0.00 0.00 174.94 175.03 2k9a n PRO 86 N 3.90 0.44 -0.35 2.79 -0.04 -1.23 -2.46 135.00 138.05 2k9a n PRO 86 Ca 0.06 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2k9a n PRO 86 Cb 0.37 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.20 2.92 -2.85 0.54 1.02 -1.26 -5.01 120.64 114.80 2k9a n GLU 87 Ca 0.13 -2.54 -0.35 0.00 -0.02 0.00 0.00 57.16 54.37 2k9a n GLU 87 Cb 0.15 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.14 3.48 -0.31 -0.32 5.36 -1.03 -5.05 117.98 117.96 2k9a s PHE 88 Ca 0.35 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 57.94 2k9a s PHE 88 Cb 0.26 -2.84 0.10 0.00 -0.34 0.00 0.00 43.02 40.20 2k9a s PHE 88 CO 0.11 0.05 0.09 1.21 -1.46 0.00 0.00 175.22 175.23 2k9a s ASN 89 N -1.95 4.04 0.48 6.13 2.47 -1.26 -4.97 114.94 119.88 2k9a s ASN 89 Ca 0.56 -1.64 0.32 0.00 0.42 0.00 0.00 52.86 52.52 2k9a s ASN 89 Cb -0.13 -0.90 1.63 0.00 -1.45 0.00 0.00 41.25 40.40 2k9a s ASN 89 CO 0.18 -0.41 1.98 -0.03 -3.72 0.00 0.00 177.10 175.10 2k9a h MET 90 N 8.07 0.00 0.29 0.43 1.85 -1.96 -1.59 114.93 122.02 2k9a h MET 90 Ca -0.13 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.94 2k9a h MET 90 Cb 1.02 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.05 2k9a h MET 90 CO 0.47 0.00 -0.14 0.00 -0.40 0.00 0.00 176.91 176.84 2k9a h ALA 91 N 2.04 -0.39 0.00 0.39 0.00 -2.00 -2.68 119.26 116.62 2k9a h ALA 91 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2k9a h ALA 91 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k9a h ALA 91 CO 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 179.25 178.49 2k9a h ALA 92 N -0.85 1.15 0.07 0.00 0.00 -1.97 -2.72 119.26 114.94 2k9a h ALA 92 Ca -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 92 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k9a h ALA 92 CO 0.07 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 180.09 2k9a h PHE 93 N 0.00 -0.09 -0.68 0.00 3.57 -1.38 -2.64 116.94 115.72 2k9a h PHE 93 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 93 Cb 0.77 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 93 CO 0.00 0.24 0.23 1.79 -2.23 0.00 0.00 178.31 178.34 2k9a h THR 94 N -0.42 1.25 -0.47 4.41 1.35 -1.46 -0.20 112.91 117.38 2k9a h THR 94 Ca -0.01 -0.85 0.06 0.00 -0.55 0.00 0.00 66.41 65.06 2k9a h THR 94 Cb 0.36 0.51 -0.05 0.00 -1.73 0.00 0.00 68.15 67.24 2k9a h THR 94 CO 0.02 0.33 0.17 0.74 -0.25 0.00 0.00 175.52 176.53 2k9a h THR 95 N 0.99 0.85 0.00 6.82 2.02 -1.48 -1.38 112.91 120.73 2k9a h THR 95 Ca 0.22 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 67.13 2k9a h THR 95 Cb 0.28 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2k9a h THR 95 CO -0.01 0.06 -0.72 0.74 0.37 0.00 0.00 175.52 175.96 2k9a h THR 96 N 0.35 1.48 -0.46 3.16 2.02 -1.31 -3.19 112.91 114.95 2k9a h THR 96 Ca 0.22 -2.51 -0.05 0.00 0.77 0.00 0.00 66.41 64.84 2k9a h THR 96 Cb 0.22 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2k9a h THR 96 CO -0.23 0.71 0.07 0.25 0.37 0.00 0.00 175.52 176.69 2k9a h LEU 97 N 0.00 0.67 -0.81 2.58 6.46 -0.19 0.20 115.31 124.22 2k9a h LEU 97 Ca -0.01 -0.12 0.17 0.00 -0.12 0.00 0.00 57.88 57.79 2k9a h LEU 97 Cb 1.31 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.96 2k9a h LEU 97 CO 0.09 0.69 0.33 1.56 -0.62 0.00 0.00 178.44 180.50 2k9a h GLN 98 N 0.68 0.43 0.00 1.25 4.20 -1.27 0.44 115.11 120.84 2k9a h GLN 98 Ca 0.15 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.54 2k9a h GLN 98 Cb 0.32 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 2k9a h GLN 98 CO 0.00 0.28 -1.90 -2.39 -0.67 0.00 0.00 178.83 174.15 2k9a n HIS 99 N -5.01 0.63 0.71 2.96 1.44 -1.13 -3.95 115.22 110.87 2k9a n HIS 99 Ca 0.17 0.23 0.07 0.00 -2.01 0.00 0.00 57.72 56.18 2k9a n HIS 99 Cb 0.49 -1.09 0.38 0.00 0.12 0.00 0.00 29.99 29.88 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.90 0.00 0.31 -1.40 -0.00 0.05 -2.63 115.22 108.64 2k9a n HIS 100 Ca -0.21 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.68 2k9a n HIS 100 Cb 1.04 -0.28 0.98 0.00 -0.00 0.00 0.00 29.99 31.73 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 -1.06 -0.22 116.57 120.50 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 0.02 0.00 -3.47 -2.27 0.00 0.00 179.45 173.73 2k9a n ASP 102 N -3.57 0.62 -0.09 4.20 2.03 -1.08 -3.44 116.55 115.22 2k9a n ASP 102 Ca -0.03 0.71 -0.09 0.00 0.52 0.00 0.00 54.79 55.90 2k9a n ASP 102 Cb 0.11 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.66 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k9a n GLU 103 N -2.24 0.53 -0.61 -0.67 0.00 -0.11 -5.02 120.64 112.52 2k9a n GLU 103 Ca 0.01 0.22 -0.17 0.00 0.00 0.00 0.00 57.16 57.21 2k9a n GLU 103 Cb 0.14 -1.43 0.14 0.00 0.00 0.00 0.00 31.44 30.29 2k9a n GLU 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2k9a n VAL 104 N -4.46 0.00 -2.57 6.31 0.24 -1.14 -4.93 118.33 111.78 2k9a n VAL 104 Ca -0.15 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 2k9a n VAL 104 Cb 0.52 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9a s ALA 105 N -3.05 3.08 0.26 2.33 0.00 -1.26 -4.88 121.76 118.23 2k9a s ALA 105 Ca 0.40 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2k9a s ALA 105 Cb -0.04 -3.95 0.31 0.00 0.00 0.00 0.00 23.12 19.44 2k9a s ALA 105 CO 0.30 -2.43 1.82 0.78 0.00 0.00 0.00 175.76 176.23 2k9a h GLY 106 N 11.61 1.06 1.00 0.00 0.00 -1.92 -2.56 103.07 112.26 2k9a h GLY 106 Ca -0.24 -0.58 0.08 0.00 0.00 0.00 0.00 47.33 46.59 2k9a h GLY 106 CO 1.15 0.55 0.45 1.29 0.00 0.00 0.00 176.54 179.98 2k9a h ASP 107 N 0.97 0.54 -0.01 0.19 2.03 -1.95 0.16 116.42 118.35 2k9a h ASP 107 Ca 0.22 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.51 2k9a h ASP 107 Cb 0.24 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2k9a h ASP 107 CO -0.01 0.34 -0.08 0.40 -1.03 0.00 0.00 179.24 178.85 2k9a h ILE 108 N 0.61 1.56 0.00 4.15 2.04 -1.88 -3.27 117.51 120.72 2k9a h ILE 108 Ca 0.31 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 2k9a h ILE 108 Cb 0.41 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2k9a h ILE 108 CO -0.10 0.46 -0.14 0.15 0.00 0.00 0.00 178.15 178.52 2k9a h PHE 109 N -0.62 0.00 -1.09 1.37 3.57 -1.18 -2.57 116.94 116.42 2k9a h PHE 109 Ca -0.01 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 109 Cb 0.80 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2k9a h PHE 109 CO 0.17 0.14 0.78 -0.44 -2.23 0.00 0.00 178.31 176.73 2k9a h ASP 110 N 0.00 0.03 -0.02 0.41 3.32 -1.01 0.22 116.42 119.37 2k9a h ASP 110 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k9a h ASP 110 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2k9a h ASP 110 CO 0.02 0.01 -0.04 -0.03 -1.72 0.00 0.00 179.24 177.47 2k9a h MET 111 N 0.02 0.06 0.00 3.56 4.05 -1.63 -3.14 114.93 117.86 2k9a h MET 111 Ca 0.52 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.89 2k9a h MET 111 Cb 2.06 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 2k9a h MET 111 CO -0.02 0.64 -0.06 -0.07 0.23 0.00 0.00 176.91 177.62 2k9a h LEU 112 N -0.50 0.00 -1.85 3.39 3.38 -0.81 -2.78 115.31 116.13 2k9a h LEU 112 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2k9a h LEU 112 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2k9a h LEU 112 CO 0.01 0.06 0.66 -0.07 0.09 0.00 0.00 178.44 179.20 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.84 0.84 115.31 120.36 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 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 0.00 0.02 0.22 -2.24 -1.05 -1.45 114.28 105.96 2k9a n THR 114 Ca 0.15 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k9a n THR 114 Cb 0.92 -1.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.49 0.00 4.78 0.04 -1.10 -3.38 116.94 117.77 2k9a h PHE 115 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 115 Cb 0.00 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2k9a h PHE 115 CO 0.00 0.54 0.00 -2.37 -0.60 0.00 0.00 178.31 175.88 2k9a n THR 116 N -4.25 0.00 -3.06 -1.55 5.66 -0.97 -5.01 114.28 105.11 2k9a n THR 116 Ca 0.01 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.56 2k9a n THR 116 Cb 0.28 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.81 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N 0.00 6.55 0.54 1.09 2.15 -0.53 -4.87 116.67 121.60 2k9a s ASP 117 Ca 0.00 -2.03 0.24 0.00 0.43 0.00 0.00 52.55 51.19 2k9a s ASP 117 Cb 0.00 -2.33 1.40 0.00 -0.30 0.00 0.00 42.92 41.68 2k9a s ASP 117 CO 0.00 -0.97 2.04 0.15 -0.17 0.00 0.00 175.17 176.22 2k9a h PHE 118 N 8.68 0.00 -0.48 -5.34 3.57 -1.90 -0.91 116.94 120.57 2k9a h PHE 118 Ca 0.03 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2k9a h PHE 118 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2k9a h PHE 118 CO 1.06 0.00 0.02 1.25 -2.23 0.00 0.00 178.31 178.40 2k9a h LEU 119 N 0.00 0.81 -0.74 0.59 5.85 -1.97 -1.98 115.31 117.88 2k9a h LEU 119 Ca 0.18 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2k9a h LEU 119 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2k9a h LEU 119 CO -0.00 0.91 -0.50 0.00 -0.34 0.00 0.00 178.44 178.51 2k9a h ALA 120 N 0.93 0.92 0.26 1.25 0.00 -1.56 -1.45 119.26 119.61 2k9a h ALA 120 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 120 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k9a h ALA 120 CO 0.02 0.63 -0.13 0.35 0.00 0.00 0.00 179.25 180.13 2k9a h PHE 121 N 0.00 -0.33 -0.31 0.00 3.57 -1.07 -0.57 116.94 118.24 2k9a h PHE 121 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2k9a h PHE 121 Cb 1.06 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2k9a h PHE 121 CO 0.00 0.02 -0.29 -0.22 -2.23 0.00 0.00 178.31 175.59 2k9a h LYS 122 N -0.73 0.64 -0.08 1.11 3.64 -1.41 -2.80 116.57 116.93 2k9a h LYS 122 Ca -0.04 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2k9a h LYS 122 Cb 0.49 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2k9a h LYS 122 CO 0.06 0.85 -0.41 1.49 -2.27 0.00 0.00 179.45 179.17 2k9a h GLU 123 N 0.55 0.17 -0.14 1.90 4.57 -1.28 -0.80 114.58 119.55 2k9a h GLU 123 Ca 0.07 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2k9a h GLU 123 Cb 0.77 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2k9a h GLU 123 CO 0.06 0.56 -0.07 1.98 -1.18 0.00 0.00 179.01 180.36 2k9a h MET 124 N 0.14 0.29 -0.18 1.92 4.05 -0.87 -1.83 114.93 118.46 2k9a h MET 124 Ca 0.01 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.20 2k9a h MET 124 Cb 0.79 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2k9a h MET 124 CO 0.06 0.62 -0.29 0.74 0.23 0.00 0.00 176.91 178.27 2k9a h PHE 125 N -0.05 0.64 -0.13 1.39 0.04 -1.45 -2.51 116.94 114.87 2k9a h PHE 125 Ca 0.03 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 2k9a h PHE 125 Cb 0.54 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2k9a h PHE 125 CO 0.07 0.93 0.07 -0.07 -0.60 0.00 0.00 178.31 178.71 2k9a h LEU 126 N 0.17 0.15 -0.13 1.54 4.07 -1.20 -0.41 115.31 119.50 2k9a h LEU 126 Ca 0.02 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 2k9a h LEU 126 Cb 0.87 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2k9a h LEU 126 CO 0.07 0.12 -0.43 -0.78 -1.08 0.00 0.00 178.44 176.34 2k9a h ASP 127 N 0.17 0.61 -0.04 -0.43 1.82 -1.24 -2.28 116.42 115.04 2k9a h ASP 127 Ca 0.05 -0.60 -0.08 0.00 -0.39 0.00 0.00 57.03 56.01 2k9a h ASP 127 Cb 0.00 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 2k9a h ASP 127 CO -0.01 1.11 -0.19 0.22 -1.61 0.00 0.00 179.24 178.76 2k9a h TYR 128 N 0.15 0.45 -0.15 0.28 3.20 -0.96 -2.20 116.97 117.74 2k9a h TYR 128 Ca -0.02 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 2k9a h TYR 128 Cb 1.06 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2k9a h TYR 128 CO 0.11 0.59 -0.12 -0.09 -1.64 0.00 0.00 178.16 177.00 2k9a h ARG 129 N 0.38 0.34 0.00 1.82 2.43 -1.08 -3.04 114.38 115.22 2k9a h ARG 129 Ca 0.06 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2k9a h ARG 129 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2k9a h ARG 129 CO 0.04 0.71 -0.13 0.00 -1.51 0.00 0.00 179.97 179.07 2k9a h ALA 130 N 0.63 1.68 -0.26 2.80 0.00 -1.29 -1.92 119.26 120.91 2k9a h ALA 130 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k9a h ALA 130 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k9a h ALA 130 CO 0.03 0.17 0.12 1.49 0.00 0.00 0.00 179.25 181.06 2k9a h GLU 131 N 0.00 0.35 0.00 0.00 4.81 -1.28 -1.16 114.58 117.30 2k9a h GLU 131 Ca -0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2k9a h GLU 131 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2k9a h GLU 131 CO 0.02 0.28 -0.28 0.87 -0.73 0.00 0.00 179.01 179.16 2k9a h LYS 132 N 0.35 0.00 -0.00 1.92 1.79 -1.37 -1.76 116.57 117.51 2k9a h LYS 132 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2k9a h LYS 132 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2k9a h LYS 132 CO -0.01 0.28 -0.01 0.39 -1.08 0.00 0.00 179.45 179.02 2k9a n GLU 133 N -3.98 1.08 -0.01 3.15 1.02 -0.45 -3.51 120.64 117.94 2k9a n GLU 133 Ca -0.02 -0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 56.79 2k9a n GLU 133 Cb 0.35 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k9a h GLY 134 N 4.97 0.05 -6.93 0.62 0.00 -1.25 -3.45 103.07 97.08 2k9a h GLY 134 Ca 0.00 -0.13 -0.67 0.00 0.00 0.00 0.00 47.33 46.53 2k9a h GLY 134 CO 0.00 0.12 -0.80 0.50 0.00 0.00 0.00 176.54 176.35 2k9a s ARG 135 N -2.60 2.73 0.00 4.80 0.52 -1.23 -5.15 118.95 118.02 2k9a s ARG 135 Ca -0.06 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2k9a s ARG 135 Cb 0.08 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.75 2k9a s ARG 135 CO 0.82 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.18