#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 -0.67 0.00 3.17 9.92 -1.26 -5.02 116.55 122.69 2k9a n ASP 2 Ca 0.00 1.34 0.00 0.00 -0.53 0.00 0.00 54.79 55.60 2k9a n ASP 2 Cb 0.00 -5.09 0.00 0.00 -0.64 0.00 0.00 41.12 35.39 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a n ALA 3 N 1.78 0.68 -2.93 2.24 0.00 -1.26 -5.13 120.51 115.89 2k9a n ALA 3 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2k9a n ALA 3 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k9a s LEU 4 N -2.10 1.70 -0.09 0.00 2.34 -1.26 -5.05 118.68 114.21 2k9a s LEU 4 Ca 0.00 -0.37 -0.07 0.00 0.06 0.00 0.00 54.13 53.75 2k9a s LEU 4 Cb 0.00 0.62 0.03 0.00 -0.56 0.00 0.00 46.19 46.28 2k9a s LEU 4 CO 0.00 -0.43 0.14 1.21 -1.06 0.00 0.00 176.35 176.21 2k9a n GLU 5 N 1.14 -4.82 -4.34 1.48 2.13 -1.26 -5.05 120.64 109.91 2k9a n GLU 5 Ca -0.21 3.57 -0.21 0.00 0.66 0.00 0.00 57.16 60.97 2k9a n GLU 5 Cb 0.57 -4.86 -0.13 0.00 0.27 0.00 0.00 31.44 27.29 2k9a n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k9a s GLY 6 N -0.63 0.94 -0.22 8.31 0.00 -1.26 -4.97 107.32 109.50 2k9a s GLY 6 Ca -0.16 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.49 2k9a s GLY 6 CO 0.43 -0.97 0.18 -2.21 0.00 0.00 0.00 173.10 170.53 2k9a n GLU 7 N 1.58 -4.25 -3.10 2.90 4.07 -1.26 -4.97 120.64 115.61 2k9a n GLU 7 Ca -0.19 3.25 -0.37 0.00 -0.06 0.00 0.00 57.16 59.79 2k9a n GLU 7 Cb 0.54 -5.11 -0.06 0.00 -0.06 0.00 0.00 31.44 26.75 2k9a n GLU 7 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2k9a s SER 8 N -0.95 7.11 -0.10 4.31 1.04 -1.26 -4.98 113.70 118.87 2k9a s SER 8 Ca -0.20 1.44 0.05 0.00 0.48 0.00 0.00 55.95 57.72 2k9a s SER 8 Cb 0.01 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.61 2k9a s SER 8 CO 0.78 0.08 -0.03 0.33 0.98 0.00 0.00 173.24 175.39 2k9a n PHE 9 N 0.94 0.00 -2.71 5.02 7.35 -1.26 -4.96 117.46 121.83 2k9a n PHE 9 Ca -0.03 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.23 2k9a n PHE 9 Cb 0.51 -0.45 -0.03 0.00 0.35 0.00 0.00 39.48 39.86 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9a s ALA 10 N -2.23 3.67 -0.10 3.13 0.00 -1.26 -4.88 121.76 120.09 2k9a s ALA 10 Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2k9a s ALA 10 Cb 0.03 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 2k9a s ALA 10 CO 0.33 -1.04 -0.09 1.28 0.00 0.00 0.00 175.76 176.24 2k9a n LEU 11 N 6.27 2.91 0.00 0.00 4.77 -1.26 -5.08 117.00 124.61 2k9a n LEU 11 Ca 0.10 -0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 2k9a n LEU 11 Cb 0.46 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2k9a n LEU 11 CO 0.51 0.66 -0.15 -1.54 -1.33 0.00 0.00 177.39 175.54 2k9a n SER 12 N -2.79 1.45 -2.92 -1.43 3.41 -1.26 -5.16 113.62 104.92 2k9a n SER 12 Ca -0.18 -2.89 -0.12 0.00 -0.26 0.00 0.00 58.87 55.43 2k9a n SER 12 Cb 0.69 0.82 0.10 0.00 -0.26 0.00 0.00 64.21 65.56 2k9a n SER 12 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k9a n PHE 13 N -0.83 -3.32 -1.61 7.33 -1.74 -1.26 -4.85 117.46 111.17 2k9a n PHE 13 Ca -0.07 -0.39 -0.42 0.00 -0.56 0.00 0.00 57.45 56.02 2k9a n PHE 13 Cb 0.53 -0.45 -0.03 0.00 1.52 0.00 0.00 39.48 41.06 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2k9a s SER 14 N -2.66 5.31 0.00 5.98 0.01 -1.26 -4.76 113.70 116.32 2k9a s SER 14 Ca 0.28 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.28 2k9a s SER 14 Cb -0.03 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k9a s SER 14 CO 0.21 -2.10 0.00 -0.24 0.41 0.00 0.00 173.24 171.52 2k9a n SER 15 N 12.32 0.00 0.00 2.44 2.88 -1.26 -4.25 113.62 125.74 2k9a n SER 15 Ca 0.31 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.96 2k9a n SER 15 Cb 0.47 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.54 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a n ALA 16 N -2.23 2.23 -0.57 -1.46 0.00 -1.26 -1.95 120.51 115.27 2k9a n ALA 16 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k9a n ALA 16 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.24 0.00 0.00 0.00 2.88 -1.26 -4.84 113.62 109.17 2k9a n SER 17 Ca 0.12 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 2k9a n SER 17 Cb 0.17 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.30 0.00 0.23 -3.46 -0.08 -1.26 -4.93 116.55 105.75 2k9a n ASP 18 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2k9a n ASP 18 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 0.00 -0.63 -0.12 -1.67 0.00 -1.86 -2.02 119.26 112.96 2k9a h ALA 19 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 19 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k9a h ALA 19 CO 0.00 -0.64 -0.26 1.49 0.00 0.00 0.00 179.25 179.84 2k9a h GLU 20 N -1.05 0.38 -0.66 0.00 4.81 -1.73 -2.79 114.58 113.54 2k9a h GLU 20 Ca -0.06 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2k9a h GLU 20 Cb 0.57 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 2k9a h GLU 20 CO 0.11 0.86 0.19 0.35 -0.73 0.00 0.00 179.01 179.78 2k9a h PHE 21 N -0.05 0.30 -0.39 0.92 3.57 -1.52 -0.93 116.94 118.85 2k9a h PHE 21 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 21 Cb 0.85 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2k9a h PHE 21 CO 0.11 -0.00 0.22 0.22 -2.23 0.00 0.00 178.31 176.62 2k9a h ASP 22 N 0.32 0.49 -0.92 0.41 3.58 -1.37 -2.25 116.42 116.69 2k9a h ASP 22 Ca 0.35 -0.09 0.12 0.00 0.42 0.00 0.00 57.03 57.83 2k9a h ASP 22 Cb 0.53 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.37 2k9a h ASP 22 CO -0.41 0.44 0.54 0.00 -2.88 0.00 0.00 179.24 176.93 2k9a h ALA 23 N 1.07 1.37 -0.72 -0.78 0.00 -0.93 -0.72 119.26 118.55 2k9a h ALA 23 Ca 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2k9a h ALA 23 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 23 CO -0.02 0.11 0.26 0.28 0.00 0.00 0.00 179.25 179.87 2k9a h VAL 24 N 0.85 1.26 -0.98 0.00 2.07 -0.82 -2.52 116.25 116.10 2k9a h VAL 24 Ca 0.46 -0.85 0.10 0.00 0.82 0.00 0.00 66.70 67.23 2k9a h VAL 24 Cb 0.50 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2k9a h VAL 24 CO -0.28 0.34 0.63 0.58 0.02 0.00 0.00 177.57 178.85 2k9a h VAL 25 N 1.05 0.98 -0.27 2.57 2.07 -0.57 0.29 116.25 122.38 2k9a h VAL 25 Ca 0.24 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2k9a h VAL 25 Cb 0.26 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2k9a h VAL 25 CO -0.01 0.19 0.02 1.23 0.02 0.00 0.00 177.57 179.02 2k9a h GLY 26 N 1.04 0.49 2.00 2.17 0.00 -1.04 -1.93 103.07 105.80 2k9a h GLY 26 Ca 0.46 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 2k9a h GLY 26 CO -0.22 0.32 -0.18 -0.97 0.00 0.00 0.00 176.54 175.49 2k9a h TYR 27 N 0.25 0.00 -0.03 5.60 0.05 -1.05 -2.62 116.97 119.18 2k9a h TYR 27 Ca 0.08 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2k9a h TYR 27 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2k9a h TYR 27 CO 0.03 0.18 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.15 2k9a h LEU 28 N 0.00 0.14 -1.33 3.88 3.38 -0.66 -3.10 115.31 117.63 2k9a h LEU 28 Ca -0.00 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.41 2k9a h LEU 28 Cb 0.39 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2k9a h LEU 28 CO 0.02 0.72 0.48 -0.33 0.09 0.00 0.00 178.44 179.43 2k9a h GLU 29 N -0.43 0.81 -0.27 1.13 5.08 -1.16 -0.60 114.58 119.15 2k9a h GLU 29 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2k9a h GLU 29 Cb 0.70 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k9a h GLU 29 CO 0.02 0.54 0.08 0.22 -1.00 0.00 0.00 179.01 178.87 2k9a h ASP 30 N 0.84 0.34 0.30 1.42 3.58 -1.47 -1.54 116.42 119.89 2k9a h ASP 30 Ca 0.31 -0.03 -0.26 0.00 0.42 0.00 0.00 57.03 57.47 2k9a h ASP 30 Cb 0.15 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.12 2k9a h ASP 30 CO -0.10 0.34 -1.08 0.40 -2.88 0.00 0.00 179.24 175.92 2k9a h ILE 31 N 0.38 1.38 -0.25 2.25 2.04 -1.06 -2.91 117.51 119.34 2k9a h ILE 31 Ca 0.09 -2.54 -0.09 0.00 1.00 0.00 0.00 64.86 63.33 2k9a h ILE 31 Cb 0.13 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2k9a h ILE 31 CO -0.01 0.76 -0.23 0.40 0.00 0.00 0.00 178.15 179.08 2k9a h ILE 32 N 0.23 1.26 -0.48 -0.67 2.04 -0.85 -2.38 117.51 116.65 2k9a h ILE 32 Ca -0.12 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2k9a h ILE 32 Cb 1.74 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2k9a h ILE 32 CO 0.19 0.38 0.00 0.23 0.00 0.00 0.00 178.15 178.96 2k9a n MET 33 N -4.14 2.93 -2.63 2.37 2.81 -0.62 -4.76 117.12 113.07 2k9a n MET 33 Ca -0.00 -2.07 -0.40 0.00 -1.81 0.00 0.00 57.70 53.41 2k9a n MET 33 Cb 0.38 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 31.15 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 -0.81 7.45 0.09 7.83 -1.08 -0.90 -4.97 116.67 124.29 2k9a s ASP 34 Ca 0.37 2.04 -0.25 0.00 -0.52 0.00 0.00 52.55 54.19 2k9a s ASP 34 Cb 0.24 -2.61 -0.13 0.00 -1.46 0.00 0.00 42.92 38.96 2k9a s ASP 34 CO 0.19 -0.03 1.70 0.44 0.52 0.00 0.00 175.17 177.98 2k9a h ASP 35 N 4.50 -0.29 0.05 -0.34 5.19 -1.91 -1.56 116.42 122.07 2k9a h ASP 35 Ca -0.45 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2k9a h ASP 35 Cb 1.21 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 2k9a h ASP 35 CO 0.69 -0.17 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.55 2k9a h GLU 36 N -0.25 0.00 0.07 3.56 4.57 -1.95 -1.61 114.58 118.97 2k9a h GLU 36 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 2k9a h GLU 36 Cb 0.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k9a h GLU 36 CO -0.02 0.01 -1.12 0.35 -1.18 0.00 0.00 179.01 177.05 2k9a h PHE 37 N 0.00 0.77 -0.27 0.92 3.57 -1.59 -2.50 116.94 117.84 2k9a h PHE 37 Ca -0.00 -0.47 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 2k9a h PHE 37 Cb 0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2k9a h PHE 37 CO 0.00 1.31 -0.01 1.96 -2.23 0.00 0.00 178.31 179.35 2k9a h GLN 38 N 0.23 0.48 -0.36 1.11 1.08 -0.63 -0.69 115.11 116.33 2k9a h GLN 38 Ca -0.13 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.85 2k9a h GLN 38 Cb 1.78 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.16 2k9a h GLN 38 CO 0.20 0.65 -0.02 1.25 -0.95 0.00 0.00 178.83 179.95 2k9a h LEU 39 N 0.26 0.64 0.16 1.46 7.12 -1.58 -2.33 115.31 121.04 2k9a h LEU 39 Ca 0.08 -0.32 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 2k9a h LEU 39 Cb 0.43 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2k9a h LEU 39 CO 0.01 0.81 -0.08 0.25 -0.13 0.00 0.00 178.44 179.31 2k9a h LEU 40 N 0.46 -0.18 0.05 2.25 6.46 -1.43 -0.43 115.31 122.49 2k9a h LEU 40 Ca 0.10 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2k9a h LEU 40 Cb 0.50 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 2k9a h LEU 40 CO 0.02 0.08 -0.23 -0.61 -0.62 0.00 0.00 178.44 177.08 2k9a h GLN 41 N -0.44 -0.37 -0.36 1.25 4.15 -1.16 -2.26 115.11 115.93 2k9a h GLN 41 Ca -0.02 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2k9a h GLN 41 Cb 0.34 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2k9a h GLN 41 CO 0.04 -0.25 0.03 -0.09 -1.93 0.00 0.00 178.83 176.63 2k9a h ARG 42 N -0.38 0.55 -0.22 1.69 1.12 -1.46 -1.33 114.38 114.34 2k9a h ARG 42 Ca 0.05 -0.11 0.04 0.00 -1.11 0.00 0.00 59.98 58.85 2k9a h ARG 42 Cb 0.44 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.28 2k9a h ARG 42 CO -0.17 0.55 -0.03 -0.97 -3.11 0.00 0.00 179.97 176.24 2k9a h ASN 43 N 0.53 -0.16 0.29 -3.80 -0.73 -0.49 -1.67 115.58 109.56 2k9a h ASN 43 Ca 0.12 0.06 -0.23 0.00 1.87 0.00 0.00 56.30 58.11 2k9a h ASN 43 Cb 0.30 0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.01 2k9a h ASN 43 CO 0.01 -0.05 -0.97 -0.26 -0.37 0.00 0.00 177.43 175.78 2k9a h PHE 44 N 0.03 0.68 -0.17 0.67 -1.00 -1.33 -3.13 116.94 112.68 2k9a h PHE 44 Ca 0.11 -0.37 0.05 0.00 2.81 0.00 0.00 57.97 60.56 2k9a h PHE 44 Cb 0.15 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2k9a h PHE 44 CO -0.21 1.20 0.17 0.52 -1.61 0.00 0.00 178.31 178.37 2k9a h MET 45 N 0.25 0.00 -0.04 1.51 2.86 -0.94 0.16 114.93 118.74 2k9a h MET 45 Ca -0.09 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2k9a h MET 45 Cb 1.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2k9a h MET 45 CO 0.17 0.00 -0.36 0.22 1.06 0.00 0.00 176.91 178.00 2k9a h ASP 46 N 0.00 0.08 0.07 1.22 1.82 -1.25 -1.56 116.42 116.81 2k9a h ASP 46 Ca 0.08 -0.03 -0.34 0.00 -0.39 0.00 0.00 57.03 56.36 2k9a h ASP 46 Cb 0.41 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 2k9a h ASP 46 CO -0.00 0.44 -1.87 0.29 -1.61 0.00 0.00 179.24 176.49 2k9a n LYS 47 N -4.09 0.69 0.12 0.28 4.01 0.33 -4.18 118.16 115.32 2k9a n LYS 47 Ca -0.02 0.34 -0.14 0.00 -0.51 0.00 0.00 58.31 57.99 2k9a n LYS 47 Cb 0.41 -1.69 -0.08 0.00 -0.51 0.00 0.00 35.03 33.16 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 2k9a h TYR 48 N -0.28 -0.22 0.00 2.13 -1.99 -0.90 -2.09 116.97 113.62 2k9a h TYR 48 Ca -0.43 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2k9a h TYR 48 Cb 1.80 0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.61 2k9a h TYR 48 CO 0.07 -0.11 0.22 0.10 -0.00 0.00 0.00 178.16 178.44 2k9a h TYR 49 N -0.27 0.00 0.08 4.88 -0.00 -1.50 -0.38 116.97 119.79 2k9a h TYR 49 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.56 2k9a h TYR 49 Cb 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.94 2k9a h TYR 49 CO -0.06 0.00 -0.66 -0.07 -0.00 0.00 0.00 178.16 177.37 2k9a h LEU 50 N 0.00 0.28 -0.47 0.10 3.38 -1.55 -3.35 115.31 113.70 2k9a h LEU 50 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2k9a h LEU 50 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2k9a h LEU 50 CO 0.00 1.30 0.30 -0.33 0.09 0.00 0.00 178.44 179.80 2k9a h GLU 51 N -0.60 0.63 -5.78 1.13 4.39 -0.75 -3.36 114.58 110.23 2k9a h GLU 51 Ca -0.13 -0.05 -0.38 0.00 0.34 0.00 0.00 59.36 59.14 2k9a h GLU 51 Cb 1.43 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 2k9a h GLU 51 CO 0.07 0.44 1.01 -0.06 -1.16 0.00 0.00 179.01 179.31 2k9a s PHE 52 N -6.08 2.03 -0.04 4.33 0.40 -0.65 -4.95 117.98 113.03 2k9a s PHE 52 Ca -0.13 0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2k9a s PHE 52 Cb 0.11 -4.22 -0.04 0.00 0.51 0.00 0.00 43.02 39.39 2k9a s PHE 52 CO 0.74 -1.73 0.09 -1.21 0.70 0.00 0.00 175.22 173.82 2k9a s GLU 53 N 6.36 3.17 -0.83 0.44 2.02 -1.26 -4.82 118.70 123.78 2k9a s GLU 53 Ca 0.64 -0.39 -0.25 0.00 0.02 0.00 0.00 54.97 54.98 2k9a s GLU 53 Cb -0.04 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 2k9a s GLU 53 CO -0.01 0.68 1.78 0.34 0.02 0.00 0.00 175.26 178.07 2k9a s ASP 54 N -1.52 5.50 0.29 -0.19 -1.08 -1.26 -4.90 116.67 113.51 2k9a s ASP 54 Ca 0.21 -0.53 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 2k9a s ASP 54 Cb -0.12 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 2k9a s ASP 54 CO 0.11 -2.36 0.38 0.42 0.52 0.00 0.00 175.17 174.25 2k9a s THR 55 N 8.56 0.00 -1.09 1.71 -4.23 -1.26 -5.05 115.64 114.28 2k9a s THR 55 Ca 0.62 -1.68 0.19 0.00 -1.18 0.00 0.00 61.69 59.63 2k9a s THR 55 Cb -0.07 -2.50 -0.15 0.00 1.34 0.00 0.00 72.50 71.12 2k9a s THR 55 CO 0.05 0.00 0.83 -0.62 -0.54 0.00 0.00 174.62 174.33 2k9a n GLU 56 N -0.47 1.06 -2.37 3.99 4.71 -1.26 -4.97 120.64 121.33 2k9a n GLU 56 Ca 0.01 -0.22 -0.41 0.00 -0.01 0.00 0.00 57.16 56.53 2k9a n GLU 56 Cb 0.63 -1.37 -0.04 0.00 -1.01 0.00 0.00 31.44 29.65 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2k9a s GLU 57 N -2.60 4.53 -0.32 3.49 -1.05 -1.26 -5.01 118.70 116.47 2k9a s GLU 57 Ca 0.09 1.91 -0.15 0.00 -0.15 0.00 0.00 54.97 56.67 2k9a s GLU 57 Cb 0.14 -3.19 -0.02 0.00 -0.44 0.00 0.00 34.13 30.62 2k9a s GLU 57 CO 0.69 0.02 0.36 1.21 0.95 0.00 0.00 175.26 178.48 2k9a s ASN 58 N -0.39 6.19 -0.07 0.83 3.84 -1.26 -5.07 114.94 119.00 2k9a s ASN 58 Ca 0.49 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 53.47 2k9a s ASN 58 Cb -0.34 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 2k9a s ASN 58 CO 0.41 -0.29 -0.09 -0.54 -2.79 0.00 0.00 177.10 173.80 2k9a s LYS 59 N 2.02 2.80 0.00 0.43 -0.14 -1.26 -4.99 119.74 118.60 2k9a s LYS 59 Ca 0.12 -0.60 0.29 0.00 -1.36 0.00 0.00 55.97 54.42 2k9a s LYS 59 Cb -0.16 -2.55 1.31 0.00 -1.68 0.00 0.00 37.83 34.75 2k9a s LYS 59 CO 0.11 0.58 1.96 1.28 -0.76 0.00 0.00 175.35 178.52 2k9a n LEU 60 N 2.47 0.02 0.10 3.17 4.77 -1.26 -3.46 117.00 122.81 2k9a n LEU 60 Ca -0.18 0.41 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2k9a n LEU 60 Cb 0.53 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.60 2k9a n LEU 60 CO 0.27 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.10 2k9a n ILE 61 N -1.42 1.15 0.25 -0.08 0.13 -1.26 -1.79 119.36 116.34 2k9a n ILE 61 Ca 0.09 0.45 0.14 0.00 -1.10 0.00 0.00 62.75 62.34 2k9a n ILE 61 Cb 0.31 -1.39 0.51 0.00 -0.84 0.00 0.00 39.64 38.23 2k9a n ILE 61 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 2k9a h TYR 62 N 0.00 0.00 0.06 9.51 0.05 -2.00 -2.86 116.97 121.73 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 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2k9a h TYR 62 CO 0.00 0.05 -0.03 1.15 -1.05 0.00 0.00 178.16 178.29 2k9a h THR 63 N 0.00 1.24 -0.64 -2.88 2.02 -1.64 -2.36 112.91 108.66 2k9a h THR 63 Ca -0.00 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 2k9a h THR 63 Cb 0.69 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 2k9a h THR 63 CO 0.01 0.36 0.32 -0.65 0.37 0.00 0.00 175.52 175.92 2k9a h PRO 64 N -0.83 0.92 -0.32 6.66 0.11 -1.71 -1.97 132.00 134.85 2k9a h PRO 64 Ca -0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2k9a h PRO 64 Cb 0.64 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.01 0.73 0.18 0.82 -0.21 0.00 0.00 178.00 179.53 2k9a h ILE 65 N 0.88 1.13 -0.95 4.15 2.04 -1.62 -2.22 117.51 120.92 2k9a h ILE 65 Ca 0.22 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2k9a h ILE 65 Cb 0.10 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2k9a h ILE 65 CO -0.03 0.13 0.61 0.15 0.00 0.00 0.00 178.15 179.02 2k9a h PHE 66 N 0.40 1.15 -0.18 1.37 3.57 -1.24 -1.07 116.94 120.94 2k9a h PHE 66 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2k9a h PHE 66 Cb 0.06 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2k9a h PHE 66 CO -0.03 0.65 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.74 2k9a h ASN 67 N 1.17 0.25 -0.37 0.41 2.35 -1.00 -1.84 115.58 116.56 2k9a h ASN 67 Ca 0.38 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2k9a h ASN 67 Cb 0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2k9a h ASN 67 CO -0.13 0.34 -0.16 -0.08 -1.65 0.00 0.00 177.43 175.75 2k9a h GLU 68 N 0.26 0.83 -0.37 0.81 4.57 -0.60 0.06 114.58 120.14 2k9a h GLU 68 Ca 0.06 -0.31 -0.15 0.00 -1.18 0.00 0.00 59.36 57.79 2k9a h GLU 68 Cb 0.25 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2k9a h GLU 68 CO 0.01 0.93 -0.35 -0.92 -1.18 0.00 0.00 179.01 177.51 2k9a h TYR 69 N 0.74 1.01 0.00 0.92 5.03 -1.00 0.81 116.97 124.49 2k9a h TYR 69 Ca 0.11 -0.29 -0.13 0.00 2.58 0.00 0.00 58.73 61.01 2k9a h TYR 69 Cb 0.67 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 2k9a h TYR 69 CO 0.04 1.08 -0.63 0.82 -1.32 0.00 0.00 178.16 178.15 2k9a h ILE 70 N 0.71 1.36 0.06 1.81 1.08 -1.19 -0.43 117.51 120.91 2k9a h ILE 70 Ca 0.07 -2.22 -0.29 0.00 -0.39 0.00 0.00 64.86 62.02 2k9a h ILE 70 Cb 0.91 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.87 2k9a h ILE 70 CO 0.08 0.62 -1.55 0.77 -0.69 0.00 0.00 178.15 177.38 2k9a h SER 71 N 0.00 0.19 0.00 1.72 4.64 -0.88 -3.29 113.55 115.94 2k9a h SER 71 Ca -0.01 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2k9a h SER 71 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2k9a h SER 71 CO 0.08 1.26 -0.39 0.25 -0.87 0.00 0.00 176.83 177.16 2k9a h LEU 72 N 0.03 0.00 0.65 5.97 5.85 -0.86 -3.35 115.31 123.60 2k9a h LEU 72 Ca -0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2k9a h LEU 72 Cb 1.98 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.01 2k9a h LEU 72 CO 0.12 0.60 -0.31 0.58 -0.34 0.00 0.00 178.44 179.08 2k9a h VAL 73 N -0.80 0.04 -1.00 1.05 2.07 -1.25 0.05 116.25 116.41 2k9a h VAL 73 Ca 0.00 -0.35 0.18 0.00 0.82 0.00 0.00 66.70 67.34 2k9a h VAL 73 Cb 0.39 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 2k9a h VAL 73 CO 0.00 0.01 0.62 -0.08 0.02 0.00 0.00 177.57 178.13 2k9a h GLU 74 N -1.21 0.78 0.00 1.57 4.81 -1.58 0.25 114.58 119.20 2k9a h GLU 74 Ca -0.09 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.68 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k9a h GLU 74 CO 0.15 0.51 -0.38 0.87 -0.73 0.00 0.00 179.01 179.44 2k9a h LYS 75 N 0.80 0.00 -0.21 1.92 1.79 -1.63 -2.74 116.57 116.50 2k9a h LYS 75 Ca 0.56 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.02 2k9a h LYS 75 Cb 0.82 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2k9a h LYS 75 CO -0.35 0.38 0.09 -0.92 -1.08 0.00 0.00 179.45 177.57 2k9a h TYR 76 N 0.00 0.32 -0.21 -1.35 5.03 0.16 -0.59 116.97 120.32 2k9a h TYR 76 Ca -0.00 -0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.15 2k9a h TYR 76 Cb 1.15 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2k9a h TYR 76 CO 0.00 0.35 -0.41 0.82 -1.32 0.00 0.00 178.16 177.61 2k9a h ILE 77 N 0.20 1.32 -0.07 1.81 2.04 -1.48 -2.68 117.51 118.64 2k9a h ILE 77 Ca 0.07 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.33 2k9a h ILE 77 Cb 0.16 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2k9a h ILE 77 CO -0.01 0.51 -0.06 -0.08 0.00 0.00 0.00 178.15 178.51 2k9a h GLU 78 N 0.35 -0.07 -0.54 2.37 4.81 -1.42 -1.79 114.58 118.28 2k9a h GLU 78 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k9a h GLU 78 Cb 1.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 2k9a h GLU 78 CO 0.09 -0.05 0.34 0.93 -0.73 0.00 0.00 179.01 179.60 2k9a h GLU 79 N -0.07 0.73 -0.59 1.92 5.08 -1.16 -0.51 114.58 119.97 2k9a h GLU 79 Ca 0.05 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k9a h GLU 79 Cb 0.15 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2k9a h GLU 79 CO -0.12 0.51 0.39 1.96 -1.00 0.00 0.00 179.01 180.75 2k9a h GLN 80 N 0.73 0.63 0.05 2.33 1.08 -1.18 -1.53 115.11 117.23 2k9a h GLN 80 Ca 0.20 -0.04 -0.24 0.00 -1.45 0.00 0.00 58.65 57.12 2k9a h GLN 80 Cb -0.04 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2k9a h GLN 80 CO -0.04 0.42 -1.05 -0.07 -0.95 0.00 0.00 178.83 177.14 2k9a h LEU 81 N 0.65 0.37 -1.37 1.46 3.38 -0.75 -3.24 115.31 115.81 2k9a h LEU 81 Ca 0.25 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2k9a h LEU 81 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k9a h LEU 81 CO -0.07 1.20 -0.30 -0.07 0.09 0.00 0.00 178.44 179.29 2k9a h LEU 82 N 0.11 0.00 -1.97 1.67 3.38 -0.19 0.17 115.31 118.49 2k9a h LEU 82 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k9a h LEU 82 Cb 1.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 2k9a h LEU 82 CO 0.17 0.30 -0.11 1.56 0.09 0.00 0.00 178.44 180.45 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.33 -2.76 115.11 116.35 2k9a h GLN 83 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2k9a h GLN 83 Cb 0.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2k9a h GLN 83 CO 0.04 0.11 -1.80 -2.13 -0.67 0.00 0.00 178.83 174.38 2k9a n ARG 84 N -3.87 1.12 -3.51 1.46 3.00 -0.92 -4.84 116.66 109.10 2k9a n ARG 84 Ca -0.02 -0.07 -0.29 0.00 -0.00 0.00 0.00 57.85 57.47 2k9a n ARG 84 Cb 0.20 -1.35 -0.12 0.00 0.00 0.00 0.00 32.46 31.19 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 -2.67 0.45 -1.47 5.15 1.01 0.55 -4.97 121.20 119.26 2k9a s ILE 85 Ca -0.06 -1.99 0.09 0.00 0.00 0.00 0.00 60.65 58.69 2k9a s ILE 85 Cb 0.07 -1.33 0.16 0.00 0.01 0.00 0.00 42.46 41.36 2k9a s ILE 85 CO 0.58 -0.99 1.14 -2.65 0.00 0.00 0.00 174.94 173.02 2k9a n PRO 86 N 3.82 0.13 -0.36 2.79 -0.02 -1.06 -1.43 135.00 138.88 2k9a n PRO 86 Ca 0.13 0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 2k9a n PRO 86 Cb 0.37 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.58 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k9a n GLU 87 N -1.27 3.04 -2.89 -0.52 1.02 -1.26 -5.00 120.64 113.76 2k9a n GLU 87 Ca 0.04 -2.52 -0.36 0.00 -0.02 0.00 0.00 57.16 54.30 2k9a n GLU 87 Cb 0.07 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.95 3.59 -0.35 -0.32 5.36 -0.51 -5.05 117.98 118.74 2k9a s PHE 88 Ca 0.35 1.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.97 2k9a s PHE 88 Cb 0.25 -2.81 0.11 0.00 -0.34 0.00 0.00 43.02 40.22 2k9a s PHE 88 CO 0.14 0.17 0.10 -0.80 -1.46 0.00 0.00 175.22 173.37 2k9a s ASN 89 N -1.78 4.36 0.53 6.13 0.02 -1.26 -4.96 114.94 117.98 2k9a s ASN 89 Ca 0.51 -2.08 0.26 0.00 -1.02 0.00 0.00 52.86 50.53 2k9a s ASN 89 Cb -0.16 -1.30 1.48 0.00 0.02 0.00 0.00 41.25 41.30 2k9a s ASN 89 CO 0.21 -0.37 2.11 -0.03 0.02 0.00 0.00 177.10 179.03 2k9a h MET 90 N 7.61 0.00 0.23 -0.60 1.85 -1.96 -0.61 114.93 121.45 2k9a h MET 90 Ca -0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 2k9a h MET 90 Cb 1.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.03 2k9a h MET 90 CO 0.51 0.10 -0.11 0.00 -0.40 0.00 0.00 176.91 177.01 2k9a h ALA 91 N 1.90 -0.30 0.00 0.39 0.00 -2.00 -1.65 119.26 117.60 2k9a h ALA 91 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k9a h ALA 91 Cb 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k9a h ALA 91 CO 0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 179.25 178.38 2k9a h ALA 92 N -0.10 1.08 -0.15 0.00 0.00 -1.95 -2.75 119.26 115.39 2k9a h ALA 92 Ca -0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2k9a h ALA 92 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 92 CO 0.05 0.52 -0.16 0.35 0.00 0.00 0.00 179.25 180.01 2k9a h PHE 93 N 0.00 0.44 -0.57 0.00 3.57 -1.10 -2.56 116.94 116.70 2k9a h PHE 93 Ca -0.00 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 2k9a h PHE 93 Cb 0.86 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2k9a h PHE 93 CO 0.00 0.76 0.15 1.79 -2.23 0.00 0.00 178.31 178.78 2k9a h THR 94 N -0.01 1.25 -0.91 4.41 1.35 -1.27 0.28 112.91 118.00 2k9a h THR 94 Ca 0.02 -0.87 0.02 0.00 -0.55 0.00 0.00 66.41 65.03 2k9a h THR 94 Cb 0.69 0.72 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 2k9a h THR 94 CO 0.04 0.32 0.60 0.74 -0.25 0.00 0.00 175.52 176.97 2k9a h THR 95 N 0.82 1.20 0.01 6.82 2.02 -1.51 -2.31 112.91 119.96 2k9a h THR 95 Ca 0.18 -0.41 -0.21 0.00 0.77 0.00 0.00 66.41 66.74 2k9a h THR 95 Cb 0.33 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2k9a h THR 95 CO 0.00 0.22 -0.92 0.74 0.37 0.00 0.00 175.52 175.93 2k9a h THR 96 N 1.20 1.47 -0.62 3.16 2.02 -1.24 -3.24 112.91 115.66 2k9a h THR 96 Ca 0.35 -2.61 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 2k9a h THR 96 Cb -0.08 2.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 2k9a h THR 96 CO -0.09 0.77 0.37 0.25 0.37 0.00 0.00 175.52 177.18 2k9a h LEU 97 N 0.14 0.74 -1.99 2.58 6.46 -0.48 -1.37 115.31 121.39 2k9a h LEU 97 Ca -0.06 -0.04 0.26 0.00 -0.12 0.00 0.00 57.88 57.92 2k9a h LEU 97 Cb 1.56 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.27 2k9a h LEU 97 CO 0.15 0.57 0.66 1.56 -0.62 0.00 0.00 178.44 180.76 2k9a h GLN 98 N 0.85 0.00 0.00 1.25 1.08 -1.46 0.49 115.11 117.33 2k9a h GLN 98 Ca 0.22 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 98 Cb -0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.33 2k9a h GLN 98 CO -0.04 0.00 -2.40 0.72 -0.95 0.00 0.00 178.83 176.16 2k9a n HIS 99 N -4.22 0.04 0.92 2.96 8.25 -0.83 -4.22 115.22 118.13 2k9a n HIS 99 Ca 0.19 0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.74 2k9a n HIS 99 Cb 0.98 -1.01 0.46 0.00 1.12 0.00 0.00 29.99 31.55 2k9a n HIS 99 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k9a n HIS 100 N -2.95 0.00 0.30 4.41 8.25 -0.33 -2.63 115.22 122.27 2k9a n HIS 100 Ca -0.37 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.27 2k9a n HIS 100 Cb 1.10 -0.15 0.84 0.00 1.12 0.00 0.00 29.99 32.90 2k9a n HIS 100 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 2.10 -1.14 -1.28 116.57 115.84 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k9a h LYS 101 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.01 2k9a h ASP 102 N 0.00 0.00 0.00 7.07 3.32 -1.80 -3.36 116.42 121.65 2k9a h ASP 102 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2k9a h ASP 102 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2k9a h ASP 102 CO 0.00 0.00 -1.01 1.21 -1.72 0.00 0.00 179.24 177.72 2k9a n GLU 103 N -2.31 0.36 -1.12 3.56 2.13 -0.57 -5.03 120.64 117.67 2k9a n GLU 103 Ca 0.04 0.15 -0.31 0.00 0.66 0.00 0.00 57.16 57.69 2k9a n GLU 103 Cb 0.34 -1.13 0.11 0.00 0.27 0.00 0.00 31.44 31.03 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k9a s VAL 104 N -2.54 2.88 -0.35 6.31 0.11 -0.68 -4.84 120.40 121.29 2k9a s VAL 104 Ca -0.21 0.30 -0.34 0.00 -2.93 0.00 0.00 61.98 58.80 2k9a s VAL 104 Cb 0.04 -2.64 -0.11 0.00 -1.53 0.00 0.00 36.38 32.14 2k9a s VAL 104 CO 0.29 -0.36 2.21 0.00 -3.33 0.00 0.00 175.10 173.91 2k9a n ALA 105 N -3.66 1.14 0.19 1.54 0.00 -1.26 -4.78 120.51 113.68 2k9a n ALA 105 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2k9a n ALA 105 Cb 0.53 -2.61 0.43 0.00 0.00 0.00 0.00 19.45 17.80 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 12.93 0.06 1.31 0.00 0.00 -1.89 -2.67 103.07 112.80 2k9a h GLY 106 Ca -0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2k9a h GLY 106 CO 1.03 0.03 0.08 -0.55 0.00 0.00 0.00 176.54 177.13 2k9a h ASP 107 N 0.05 0.81 -0.00 0.19 3.32 -1.94 0.60 116.42 119.44 2k9a h ASP 107 Ca 0.01 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2k9a h ASP 107 Cb 0.44 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2k9a h ASP 107 CO 0.03 0.83 -0.03 0.40 -1.72 0.00 0.00 179.24 178.75 2k9a h ILE 108 N 0.82 1.57 0.00 0.35 2.04 -1.88 -3.25 117.51 117.15 2k9a h ILE 108 Ca 0.17 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 2k9a h ILE 108 Cb 0.37 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2k9a h ILE 108 CO 0.01 0.45 -0.21 0.15 0.00 0.00 0.00 178.15 178.55 2k9a h PHE 109 N -0.68 0.00 -1.15 1.37 3.57 -1.47 -2.69 116.94 115.88 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 109 Cb 0.75 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2k9a h PHE 109 CO 0.18 0.21 0.84 0.22 -2.23 0.00 0.00 178.31 177.53 2k9a h ASP 110 N 0.00 0.00 0.04 0.41 1.82 -0.90 0.61 116.42 118.40 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k9a h ASP 110 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2k9a h ASP 110 CO 0.03 0.00 -0.02 -0.03 -1.61 0.00 0.00 179.24 177.61 2k9a h MET 111 N 0.00 -0.05 0.00 0.28 4.05 -1.64 -3.18 114.93 114.39 2k9a h MET 111 Ca 0.55 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 2k9a h MET 111 Cb 2.22 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 33.03 2k9a h MET 111 CO -0.01 0.51 -0.11 -0.07 0.23 0.00 0.00 176.91 177.46 2k9a h LEU 112 N -0.67 0.00 -1.91 3.39 3.38 -0.72 -2.81 115.31 115.96 2k9a h LEU 112 Ca -0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2k9a h LEU 112 CO 0.01 0.11 0.59 0.25 0.09 0.00 0.00 178.44 179.49 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.06 0.66 115.31 123.56 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 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k9a h LEU 113 CO 0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.89 0.00 0.22 1.05 -2.24 -1.06 -2.12 114.28 106.24 2k9a n THR 114 Ca 0.13 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 2k9a n THR 114 Cb 0.83 -0.85 0.50 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.13 -3.38 116.94 117.25 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 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.21 0.00 0.25 -0.60 0.00 0.00 178.31 178.17 2k9a n THR 116 N -4.21 0.00 -2.15 -1.55 -2.24 -1.02 -4.99 114.28 98.12 2k9a n THR 116 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 2k9a n THR 116 Cb 0.27 0.00 -0.05 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 -0.93 5.37 0.54 3.42 2.15 -0.90 -4.77 116.67 121.55 2k9a s ASP 117 Ca 0.00 -1.20 0.20 0.00 0.43 0.00 0.00 52.55 51.97 2k9a s ASP 117 Cb 0.00 -2.57 1.41 0.00 -0.30 0.00 0.00 42.92 41.46 2k9a s ASP 117 CO 0.00 -2.61 2.17 0.15 -0.17 0.00 0.00 175.17 174.71 2k9a h PHE 118 N 10.37 0.00 -0.75 -5.34 3.57 -1.88 -1.72 116.94 121.18 2k9a h PHE 118 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2k9a h PHE 118 Cb 0.97 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2k9a h PHE 118 CO 1.24 0.01 0.32 1.25 -2.23 0.00 0.00 178.31 178.89 2k9a h LEU 119 N 0.00 1.00 -0.29 0.59 5.85 -1.98 -1.95 115.31 118.53 2k9a h LEU 119 Ca -0.00 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 2k9a h LEU 119 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2k9a h LEU 119 CO 0.00 0.88 -0.87 0.00 -0.34 0.00 0.00 178.44 178.11 2k9a h ALA 120 N 1.27 0.56 0.35 1.25 0.00 -1.72 -2.55 119.26 118.42 2k9a h ALA 120 Ca 0.25 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2k9a h ALA 120 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k9a h ALA 120 CO -0.03 1.00 -0.17 0.35 0.00 0.00 0.00 179.25 180.41 2k9a h PHE 121 N 0.04 -0.43 -0.40 0.00 3.57 -1.03 -0.04 116.94 118.64 2k9a h PHE 121 Ca -0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.51 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 2k9a h PHE 121 CO 0.01 -0.16 0.12 -0.22 -2.23 0.00 0.00 178.31 175.84 2k9a h LYS 122 N -0.66 0.63 -0.18 1.11 3.64 -1.46 -2.60 116.57 117.06 2k9a h LYS 122 Ca -0.05 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2k9a h LYS 122 Cb 0.47 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2k9a h LYS 122 CO 0.08 0.63 0.06 1.49 -2.27 0.00 0.00 179.45 179.43 2k9a h GLU 123 N 0.51 0.24 -0.15 1.90 4.81 -1.44 -1.32 114.58 119.13 2k9a h GLU 123 Ca 0.13 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2k9a h GLU 123 Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 123 CO -0.00 0.22 -0.00 1.98 -0.73 0.00 0.00 179.01 180.47 2k9a h MET 124 N 0.24 0.26 -0.11 1.92 4.05 -0.62 -2.02 114.93 118.66 2k9a h MET 124 Ca 0.06 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2k9a h MET 124 Cb 0.08 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2k9a h MET 124 CO -0.01 0.50 -0.01 0.74 0.23 0.00 0.00 176.91 178.37 2k9a h PHE 125 N -0.00 0.23 -0.44 1.39 0.04 -1.21 -2.62 116.94 114.31 2k9a h PHE 125 Ca 0.04 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2k9a h PHE 125 Cb 0.38 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2k9a h PHE 125 CO 0.04 0.47 0.31 -0.07 -0.60 0.00 0.00 178.31 178.46 2k9a h LEU 126 N -0.08 0.11 -0.09 1.54 4.07 -1.28 -1.19 115.31 118.39 2k9a h LEU 126 Ca 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2k9a h LEU 126 Cb 0.38 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 2k9a h LEU 126 CO 0.01 0.07 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.59 2k9a h ASP 127 N 0.12 0.21 -0.97 -0.43 1.82 -1.13 -0.62 116.42 115.43 2k9a h ASP 127 Ca 0.21 -0.45 0.01 0.00 -0.39 0.00 0.00 57.03 56.41 2k9a h ASP 127 Cb 0.67 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 2k9a h ASP 127 CO -0.02 0.61 0.64 0.22 -1.61 0.00 0.00 179.24 179.08 2k9a h TYR 128 N -0.19 1.22 -0.06 0.28 3.20 -0.93 -1.74 116.97 118.75 2k9a h TYR 128 Ca 0.02 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2k9a h TYR 128 Cb 0.54 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2k9a h TYR 128 CO 0.08 0.76 -0.55 -0.09 -1.64 0.00 0.00 178.16 176.72 2k9a h ARG 129 N 1.31 0.17 -0.02 1.82 2.43 -1.23 -2.90 114.38 115.95 2k9a h ARG 129 Ca 0.36 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2k9a h ARG 129 Cb -0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2k9a h ARG 129 CO -0.08 0.67 -0.32 0.00 -1.51 0.00 0.00 179.97 178.74 2k9a h ALA 130 N 1.31 1.45 0.00 2.80 0.00 -0.25 -2.07 119.26 122.49 2k9a h ALA 130 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k9a h ALA 130 Cb 1.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k9a h ALA 130 CO 0.08 0.41 -0.03 0.93 0.00 0.00 0.00 179.25 180.65 2k9a h GLU 131 N 0.03 0.00 0.00 0.00 4.39 -1.18 -2.61 114.58 115.20 2k9a h GLU 131 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k9a h GLU 131 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2k9a h GLU 131 CO 0.04 0.03 0.00 1.63 -1.16 0.00 0.00 179.01 179.55 2k9a n LYS 132 N -3.13 0.12 0.11 2.33 4.76 -0.78 -2.04 118.16 119.54 2k9a n LYS 132 Ca 0.01 0.37 0.08 0.00 -2.87 0.00 0.00 58.31 55.89 2k9a n LYS 132 Cb 0.33 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 31.81 2k9a n LYS 132 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2k9a h GLU 133 N 0.00 0.00 0.13 1.97 5.08 -1.60 -3.39 114.58 116.78 2k9a h GLU 133 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k9a h GLU 133 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k9a h GLU 133 CO 0.00 0.12 -0.06 0.78 -1.00 0.00 0.00 179.01 178.85 2k9a h GLY 134 N 3.88 -0.19 -5.08 -3.84 0.00 -1.55 -3.49 103.07 92.80 2k9a h GLY 134 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2k9a h GLY 134 CO 0.02 -0.07 -1.41 -2.13 0.00 0.00 0.00 176.54 172.95 2k9a n ARG 135 N -2.61 -4.23 0.00 4.80 0.00 -1.25 -5.18 116.66 108.19 2k9a n ARG 135 Ca -0.02 3.23 0.00 0.00 -0.00 0.00 0.00 57.85 61.06 2k9a n ARG 135 Cb 0.07 -5.08 0.00 0.00 0.00 0.00 0.00 32.46 27.45 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04