#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 1.84 -0.16 6.12 1.01 -1.26 -5.05 116.67 119.18 2k9a s ASP 2 Ca 0.00 -0.78 0.17 0.00 0.71 0.00 0.00 52.55 52.65 2k9a s ASP 2 Cb 0.00 -0.05 -0.25 0.00 1.01 0.00 0.00 42.92 43.63 2k9a s ASP 2 CO 0.00 -0.16 0.21 0.00 0.21 0.00 0.00 175.17 175.43 2k9a n ALA 3 N 0.65 1.57 -3.99 5.23 0.00 -1.26 -4.89 120.51 117.83 2k9a n ALA 3 Ca -0.16 -1.18 -0.29 0.00 0.00 0.00 0.00 53.44 51.80 2k9a n ALA 3 Cb 0.57 -0.34 -0.17 0.00 0.00 0.00 0.00 19.45 19.51 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 4 N -5.55 1.54 0.12 0.00 1.43 -1.26 -5.11 118.68 109.85 2k9a s LEU 4 Ca -0.09 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2k9a s LEU 4 Cb 0.07 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 2k9a s LEU 4 CO 0.83 -0.07 1.53 -1.61 0.23 0.00 0.00 176.35 177.26 2k9a s GLU 5 N 1.55 4.24 0.00 1.70 0.41 -1.26 -4.90 118.70 120.43 2k9a s GLU 5 Ca 0.05 2.26 0.00 0.00 -0.41 0.00 0.00 54.97 56.87 2k9a s GLU 5 Cb -0.13 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 2k9a s GLU 5 CO -0.10 -0.59 0.00 0.41 -0.49 0.00 0.00 175.26 174.49 2k9a n GLY 6 N 3.74 4.47 3.72 -1.39 0.00 -1.26 -5.11 105.19 109.36 2k9a n GLY 6 Ca 0.14 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2k9a n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k9a s GLU 7 N -3.57 4.63 0.00 1.61 -1.05 -1.26 -4.81 118.70 114.24 2k9a s GLU 7 Ca 0.00 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.23 2k9a s GLU 7 Cb 0.00 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 30.28 2k9a s GLU 7 CO 0.00 0.10 0.00 -1.13 0.95 0.00 0.00 175.26 175.19 2k9a n SER 8 N 3.27 0.00 -1.64 0.83 3.41 -1.26 -5.16 113.62 113.08 2k9a n SER 8 Ca 0.04 -0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 58.10 2k9a n SER 8 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2k9a n SER 8 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k9a n PHE 9 N 0.00 -1.08 -3.68 7.33 -1.74 -1.26 -5.17 117.46 111.86 2k9a n PHE 9 Ca 0.00 -0.72 -0.15 0.00 -0.56 0.00 0.00 57.45 56.03 2k9a n PHE 9 Cb 0.25 0.24 -0.14 0.00 1.52 0.00 0.00 39.48 41.35 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k9a s ALA 10 N -1.70 -0.34 0.09 1.98 0.00 -1.26 -5.05 121.76 115.48 2k9a s ALA 10 Ca 0.08 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2k9a s ALA 10 Cb -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2k9a s ALA 10 CO 0.06 -0.49 0.00 -0.11 0.00 0.00 0.00 175.76 175.21 2k9a n LEU 11 N 5.06 0.27 -4.69 0.00 -0.00 -1.26 -5.05 117.00 111.33 2k9a n LEU 11 Ca -0.10 0.15 -0.42 0.00 -0.00 0.00 0.00 56.01 55.63 2k9a n LEU 11 Cb 0.50 -0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2k9a n LEU 11 CO 0.07 -0.63 0.81 -0.94 -0.00 0.00 0.00 177.39 176.70 2k9a s SER 12 N -5.05 7.22 -0.20 1.96 1.04 -1.26 -4.95 113.70 112.46 2k9a s SER 12 Ca 0.00 1.60 -0.15 0.00 0.48 0.00 0.00 55.95 57.88 2k9a s SER 12 Cb 0.00 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 2k9a s SER 12 CO 0.00 -0.46 -0.23 0.33 0.98 0.00 0.00 173.24 173.86 2k9a n PHE 13 N 4.94 0.39 -2.84 5.02 7.35 -1.26 -4.94 117.46 126.13 2k9a n PHE 13 Ca 0.09 0.17 -0.40 0.00 -0.76 0.00 0.00 57.45 56.55 2k9a n PHE 13 Cb 0.48 -0.77 -0.05 0.00 0.35 0.00 0.00 39.48 39.50 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k9a s SER 14 N -6.34 7.40 0.00 -2.13 1.04 -1.26 -4.87 113.70 107.53 2k9a s SER 14 Ca -0.27 1.67 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2k9a s SER 14 Cb 0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2k9a s SER 14 CO 0.41 -0.00 0.00 -1.20 0.98 0.00 0.00 173.24 173.43 2k9a n SER 15 N 2.63 0.00 0.00 7.02 7.64 -1.26 -4.70 113.62 124.95 2k9a n SER 15 Ca -0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2k9a n SER 15 Cb 0.49 0.10 0.10 0.00 -1.01 0.00 0.00 64.21 63.90 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a n ALA 16 N -2.10 1.31 -1.04 -0.43 0.00 -1.26 0.24 120.51 117.22 2k9a n ALA 16 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2k9a n ALA 16 Cb 0.00 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.39 2.08 0.00 0.00 2.88 -1.26 -4.06 113.62 111.86 2k9a n SER 17 Ca 0.02 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 2k9a n SER 17 Cb 0.04 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.20 0.00 0.29 -3.46 -0.08 -0.17 -4.91 116.55 107.02 2k9a n ASP 18 Ca 0.13 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.26 2k9a n ASP 18 Cb 0.60 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.98 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 1.87 -0.74 -0.31 -1.67 0.00 -1.77 -2.50 119.26 114.14 2k9a h ALA 19 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 19 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k9a h ALA 19 CO 0.00 -0.81 0.12 1.49 0.00 0.00 0.00 179.25 180.05 2k9a h GLU 20 N -0.96 0.43 0.47 0.00 4.57 -0.55 -2.46 114.58 116.09 2k9a h GLU 20 Ca -0.08 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2k9a h GLU 20 Cb 0.63 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2k9a h GLU 20 CO 0.12 0.37 -0.28 0.35 -1.18 0.00 0.00 179.01 178.40 2k9a h PHE 21 N 0.43 -0.73 -0.19 0.92 3.57 -1.28 -1.89 116.94 117.78 2k9a h PHE 21 Ca 0.11 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k9a h PHE 21 Cb 0.10 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k9a h PHE 21 CO 0.00 -0.43 0.10 -0.44 -2.23 0.00 0.00 178.31 175.31 2k9a h ASP 22 N -0.71 0.22 -0.25 0.41 3.32 -1.27 -2.31 116.42 115.82 2k9a h ASP 22 Ca -0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2k9a h ASP 22 Cb 0.58 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2k9a h ASP 22 CO 0.07 0.18 0.13 0.00 -1.72 0.00 0.00 179.24 177.90 2k9a h ALA 23 N 1.86 0.32 -0.77 3.45 0.00 -0.97 -2.61 119.26 120.54 2k9a h ALA 23 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k9a h ALA 23 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 23 CO -0.01 -0.14 0.37 0.28 0.00 0.00 0.00 179.25 179.75 2k9a h VAL 24 N 0.29 1.24 -0.81 0.00 2.07 -0.82 -2.61 116.25 115.61 2k9a h VAL 24 Ca 0.09 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 67.01 2k9a h VAL 24 Cb 0.08 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 24 CO -0.01 0.29 0.47 0.58 0.02 0.00 0.00 177.57 178.91 2k9a h VAL 25 N 1.08 0.93 -0.33 2.57 2.07 -1.23 -0.37 116.25 120.97 2k9a h VAL 25 Ca 0.26 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2k9a h VAL 25 Cb 0.12 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2k9a h VAL 25 CO -0.03 0.15 0.10 1.23 0.02 0.00 0.00 177.57 179.03 2k9a h GLY 26 N 0.80 0.56 1.54 2.17 0.00 -1.11 -2.66 103.07 104.37 2k9a h GLY 26 Ca 0.39 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k9a h GLY 26 CO -0.23 0.32 0.07 -0.97 0.00 0.00 0.00 176.54 175.73 2k9a h TYR 27 N 0.38 0.59 -0.12 5.60 0.05 -1.09 -2.68 116.97 119.70 2k9a h TYR 27 Ca 0.11 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 2k9a h TYR 27 Cb 0.27 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 2k9a h TYR 27 CO 0.01 0.53 0.06 -0.07 -1.05 0.00 0.00 178.16 177.63 2k9a h LEU 28 N 0.56 0.16 -1.00 3.88 3.38 -0.87 -2.32 115.31 119.10 2k9a h LEU 28 Ca 0.13 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k9a h LEU 28 Cb 0.25 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2k9a h LEU 28 CO 0.00 0.24 0.66 -0.33 0.09 0.00 0.00 178.44 179.10 2k9a h GLU 29 N 0.07 1.23 -0.31 1.13 5.08 -1.27 -0.89 114.58 119.62 2k9a h GLU 29 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k9a h GLU 29 Cb 0.13 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2k9a h GLU 29 CO -0.01 0.81 0.11 0.22 -1.00 0.00 0.00 179.01 179.15 2k9a h ASP 30 N 1.27 0.38 -0.02 1.42 3.58 -1.21 -2.36 116.42 119.48 2k9a h ASP 30 Ca 0.40 -0.03 -0.24 0.00 0.42 0.00 0.00 57.03 57.57 2k9a h ASP 30 Cb 0.00 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 40.97 2k9a h ASP 30 CO -0.13 0.36 -0.92 0.40 -2.88 0.00 0.00 179.24 176.07 2k9a h ILE 31 N 0.43 1.29 -0.43 2.25 2.04 -0.66 -2.62 117.51 119.80 2k9a h ILE 31 Ca 0.11 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 2k9a h ILE 31 Cb 0.10 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2k9a h ILE 31 CO -0.01 0.67 0.24 0.40 0.00 0.00 0.00 178.15 179.45 2k9a h ILE 32 N 0.44 1.13 -0.62 -0.67 2.04 -0.77 -1.14 117.51 117.92 2k9a h ILE 32 Ca -0.09 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k9a h ILE 32 Cb 1.56 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2k9a h ILE 32 CO 0.18 0.14 0.00 0.23 0.00 0.00 0.00 178.15 178.70 2k9a n MET 33 N -4.43 3.99 -2.97 2.37 2.81 -0.93 -4.79 117.12 113.17 2k9a n MET 33 Ca 0.03 -2.89 -0.40 0.00 -1.81 0.00 0.00 57.70 52.63 2k9a n MET 33 Cb 0.09 -1.99 -0.05 0.00 -0.71 0.00 0.00 33.22 30.57 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 -0.85 7.17 0.12 7.83 2.15 -0.43 -4.98 116.67 127.69 2k9a s ASP 34 Ca 0.51 1.40 -0.21 0.00 0.43 0.00 0.00 52.55 54.68 2k9a s ASP 34 Cb 0.35 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 2k9a s ASP 34 CO 0.22 -0.05 1.70 0.44 -0.17 0.00 0.00 175.17 177.31 2k9a h ASP 35 N 6.07 -0.24 -0.26 -0.34 3.32 -1.90 -1.12 116.42 121.96 2k9a h ASP 35 Ca -0.43 0.06 0.07 0.00 0.02 0.00 0.00 57.03 56.76 2k9a h ASP 35 Cb 1.20 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2k9a h ASP 35 CO 0.72 -0.10 0.19 -0.08 -1.72 0.00 0.00 179.24 178.26 2k9a h GLU 36 N -0.05 0.00 -0.15 3.56 4.57 -1.94 -1.24 114.58 119.33 2k9a h GLU 36 Ca 0.09 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.04 2k9a h GLU 36 Cb 0.18 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2k9a h GLU 36 CO -0.19 0.00 -0.78 0.35 -1.18 0.00 0.00 179.01 177.21 2k9a h PHE 37 N 0.00 1.07 -0.26 0.92 3.57 -1.50 -2.70 116.94 118.03 2k9a h PHE 37 Ca 0.12 -0.48 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 2k9a h PHE 37 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2k9a h PHE 37 CO 0.00 1.31 -0.22 1.96 -2.23 0.00 0.00 178.31 179.12 2k9a h GLN 38 N 0.52 0.48 -0.21 1.11 4.20 -0.32 -1.66 115.11 119.23 2k9a h GLN 38 Ca -0.06 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2k9a h GLN 38 Cb 1.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 2k9a h GLN 38 CO 0.16 0.68 -0.07 1.25 -0.67 0.00 0.00 178.83 180.18 2k9a h LEU 39 N 0.43 0.43 0.11 1.46 7.12 -1.32 -1.48 115.31 122.07 2k9a h LEU 39 Ca 0.07 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.69 2k9a h LEU 39 Cb 0.63 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2k9a h LEU 39 CO 0.04 0.72 -0.05 0.25 -0.13 0.00 0.00 178.44 179.27 2k9a h LEU 40 N 0.14 -0.13 0.15 2.25 5.85 -1.36 -0.50 115.31 121.71 2k9a h LEU 40 Ca 0.05 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2k9a h LEU 40 Cb 0.54 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2k9a h LEU 40 CO 0.03 0.07 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.51 2k9a h GLN 41 N -0.32 -0.19 -0.66 1.25 4.15 -1.35 -2.60 115.11 115.39 2k9a h GLN 41 Ca -0.02 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2k9a h GLN 41 Cb 0.27 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2k9a h GLN 41 CO 0.03 -0.12 0.18 -0.09 -1.93 0.00 0.00 178.83 176.90 2k9a h ARG 42 N -0.21 1.02 -0.17 1.69 2.43 -1.30 0.13 114.38 117.97 2k9a h ARG 42 Ca -0.02 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2k9a h ARG 42 Cb 0.16 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2k9a h ARG 42 CO 0.03 0.89 0.07 -0.97 -1.51 0.00 0.00 179.97 178.48 2k9a h ASN 43 N 0.98 0.09 0.08 -3.80 -1.24 -0.94 -1.42 115.58 109.33 2k9a h ASN 43 Ca 0.21 0.01 -0.28 0.00 0.71 0.00 0.00 56.30 56.96 2k9a h ASN 43 Cb 0.31 -0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.38 2k9a h ASN 43 CO -0.00 0.08 -1.13 -0.26 -1.29 0.00 0.00 177.43 174.83 2k9a h PHE 44 N 0.16 0.98 -0.02 0.67 -1.00 -1.39 -3.20 116.94 113.15 2k9a h PHE 44 Ca 0.07 -0.59 0.00 0.00 2.81 0.00 0.00 57.97 60.26 2k9a h PHE 44 Cb 0.03 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.50 2k9a h PHE 44 CO -0.10 1.43 0.02 0.52 -1.61 0.00 0.00 178.31 178.57 2k9a h MET 45 N 0.25 0.00 -0.18 1.51 2.86 -0.90 -0.48 114.93 117.99 2k9a h MET 45 Ca -0.16 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2k9a h MET 45 Cb 1.81 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 2k9a h MET 45 CO 0.22 0.00 0.13 0.22 1.06 0.00 0.00 176.91 178.53 2k9a h ASP 46 N 0.00 0.08 0.00 1.22 1.82 -1.25 -0.67 116.42 117.62 2k9a h ASP 46 Ca 0.01 -0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.34 2k9a h ASP 46 Cb 0.05 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.00 2k9a h ASP 46 CO -0.00 0.05 -1.68 1.17 -1.61 0.00 0.00 179.24 177.17 2k9a n LYS 47 N -4.50 0.57 0.00 0.28 3.00 -0.25 -4.18 118.16 113.08 2k9a n LYS 47 Ca 0.01 0.48 -0.09 0.00 -0.00 0.00 0.00 58.31 58.70 2k9a n LYS 47 Cb 0.20 -1.66 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2k9a h TYR 48 N -1.00 -0.54 -0.66 5.64 -1.99 -1.30 -0.49 116.97 116.63 2k9a h TYR 48 Ca -0.47 0.03 0.15 0.00 2.00 0.00 0.00 58.73 60.44 2k9a h TYR 48 Cb 1.41 0.26 -0.04 0.00 2.00 0.00 0.00 36.73 40.36 2k9a h TYR 48 CO 0.04 -0.28 0.45 0.10 -0.00 0.00 0.00 178.16 178.46 2k9a h TYR 49 N -0.26 0.28 0.00 4.88 -0.00 -1.35 0.17 116.97 120.68 2k9a h TYR 49 Ca 0.10 0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.71 2k9a h TYR 49 Cb 0.41 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.03 2k9a h TYR 49 CO -0.31 0.11 -0.69 1.37 -0.00 0.00 0.00 178.16 178.64 2k9a h LEU 50 N 0.24 0.00 0.22 0.10 8.10 -1.44 -3.32 115.31 119.20 2k9a h LEU 50 Ca 0.32 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 58.01 2k9a h LEU 50 Cb 0.91 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.16 2k9a h LEU 50 CO -0.07 0.55 -1.34 -0.08 -4.11 0.00 0.00 178.44 173.40 2k9a h GLU 51 N 0.00 0.46 -5.97 0.17 4.57 0.71 -3.40 114.58 111.11 2k9a h GLU 51 Ca -0.03 -0.78 -0.57 0.00 -1.18 0.00 0.00 59.36 56.80 2k9a h GLU 51 Cb 1.45 0.29 -0.09 0.00 -0.16 0.00 0.00 28.75 30.24 2k9a h GLU 51 CO 0.07 1.37 1.55 -0.06 -1.18 0.00 0.00 179.01 180.76 2k9a s PHE 52 N -2.55 2.48 -0.02 0.92 0.40 0.34 -4.97 117.98 114.58 2k9a s PHE 52 Ca -0.11 -0.79 -0.13 0.00 -0.60 0.00 0.00 56.93 55.29 2k9a s PHE 52 Cb 0.03 -4.60 -0.05 0.00 0.51 0.00 0.00 43.02 38.91 2k9a s PHE 52 CO 0.90 -1.85 0.36 -2.00 0.70 0.00 0.00 175.22 173.33 2k9a s GLU 53 N 5.12 3.84 -0.58 0.44 2.12 -1.26 -4.86 118.70 123.52 2k9a s GLU 53 Ca 0.52 0.32 -0.27 0.00 0.36 0.00 0.00 54.97 55.90 2k9a s GLU 53 Cb 0.00 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2k9a s GLU 53 CO -0.04 0.70 1.87 0.16 -0.54 0.00 0.00 175.26 177.41 2k9a s ASP 54 N -1.03 5.31 0.31 -1.70 -4.77 -1.26 -4.93 116.67 108.60 2k9a s ASP 54 Ca 0.22 0.46 0.04 0.00 -3.30 0.00 0.00 52.55 49.98 2k9a s ASP 54 Cb -0.16 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.11 2k9a s ASP 54 CO 0.12 -2.32 0.20 0.42 0.70 0.00 0.00 175.17 174.28 2k9a s THR 55 N 8.93 0.18 -0.10 2.11 -4.23 -1.26 -5.07 115.64 116.20 2k9a s THR 55 Ca 0.69 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 2k9a s THR 55 Cb -0.14 -2.49 -0.24 0.00 1.34 0.00 0.00 72.50 70.98 2k9a s THR 55 CO 0.22 0.00 0.43 -0.62 -0.54 0.00 0.00 174.62 174.11 2k9a n GLU 56 N -0.58 0.67 -2.81 3.99 4.71 -1.26 -4.88 120.64 120.48 2k9a n GLU 56 Ca 0.03 0.22 -0.41 0.00 -0.01 0.00 0.00 57.16 56.98 2k9a n GLU 56 Cb 0.64 -1.70 -0.03 0.00 -1.01 0.00 0.00 31.44 29.33 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2k9a s GLU 57 N -2.56 4.50 -0.21 3.49 2.12 -1.26 -5.04 118.70 119.73 2k9a s GLU 57 Ca -0.11 1.25 -0.14 0.00 0.36 0.00 0.00 54.97 56.34 2k9a s GLU 57 Cb 0.07 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2k9a s GLU 57 CO 0.80 -0.07 0.30 -0.80 -0.54 0.00 0.00 175.26 174.96 2k9a s ASN 58 N 0.97 6.31 0.19 -1.70 0.02 -1.26 -5.08 114.94 114.39 2k9a s ASN 58 Ca 0.47 0.36 -0.02 0.00 -1.02 0.00 0.00 52.86 52.65 2k9a s ASN 58 Cb -0.20 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.85 2k9a s ASN 58 CO 0.23 -0.01 0.39 -0.54 0.02 0.00 0.00 177.10 177.19 2k9a s LYS 59 N 1.17 3.55 0.12 -0.60 1.02 -1.26 -4.99 119.74 118.75 2k9a s LYS 59 Ca 0.14 -0.26 0.27 0.00 0.02 0.00 0.00 55.97 56.15 2k9a s LYS 59 Cb -0.14 -2.84 0.99 0.00 -0.52 0.00 0.00 37.83 35.33 2k9a s LYS 59 CO 0.06 0.41 1.84 -0.11 -0.92 0.00 0.00 175.35 176.64 2k9a n LEU 60 N -0.45 0.46 0.26 3.17 7.94 -1.26 -3.36 117.00 123.76 2k9a n LEU 60 Ca -0.04 0.54 0.18 0.00 -1.11 0.00 0.00 56.01 55.58 2k9a n LEU 60 Cb 0.53 -0.40 0.89 0.00 0.53 0.00 0.00 43.42 44.97 2k9a n LEU 60 CO 0.49 -0.10 1.03 -0.29 -1.11 0.00 0.00 177.39 177.40 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.03 -1.56 117.51 121.97 2k9a h ILE 61 Ca 0.00 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 2k9a h ILE 61 Cb 0.64 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 38.92 2k9a h ILE 61 CO 0.00 0.00 -0.04 1.88 -3.07 0.00 0.00 178.15 176.92 2k9a h TYR 62 N 0.00 0.00 0.13 2.19 0.05 -1.99 -2.84 116.97 114.51 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 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2k9a h TYR 62 CO 0.00 0.04 -0.06 1.15 -1.05 0.00 0.00 178.16 178.24 2k9a h THR 63 N 0.00 1.03 -0.46 -2.88 2.02 -1.54 -2.13 112.91 108.95 2k9a h THR 63 Ca -0.00 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 2k9a h THR 63 Cb 0.57 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2k9a h THR 63 CO 0.01 0.25 0.09 1.55 0.37 0.00 0.00 175.52 177.78 2k9a h PRO 64 N -0.75 0.74 -0.95 6.66 0.13 -1.71 -2.59 132.00 133.54 2k9a h PRO 64 Ca -0.02 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2k9a h PRO 64 Cb 0.54 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 2k9a h PRO 64 CO 0.03 0.75 0.63 0.82 -0.23 0.00 0.00 178.00 180.00 2k9a h ILE 65 N 0.61 1.24 -0.66 -3.56 2.04 -1.61 -2.19 117.51 113.38 2k9a h ILE 65 Ca 0.14 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2k9a h ILE 65 Cb 0.36 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2k9a h ILE 65 CO 0.01 0.23 0.38 0.15 0.00 0.00 0.00 178.15 178.92 2k9a h PHE 66 N 1.28 0.88 -0.80 1.37 3.57 -1.21 -2.13 116.94 119.89 2k9a h PHE 66 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.89 2k9a h PHE 66 Cb -0.14 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.27 2k9a h PHE 66 CO -0.01 0.61 0.52 -0.91 -2.23 0.00 0.00 178.31 176.30 2k9a h ASN 67 N 0.89 0.81 -0.48 0.41 2.35 -1.02 -1.72 115.58 116.82 2k9a h ASN 67 Ca 0.23 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2k9a h ASN 67 Cb 0.00 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2k9a h ASN 67 CO -0.04 0.54 0.26 -0.08 -1.65 0.00 0.00 177.43 176.46 2k9a h GLU 68 N 0.93 0.68 -0.20 0.81 4.81 -0.94 -1.43 114.58 119.23 2k9a h GLU 68 Ca 0.33 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k9a h GLU 68 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2k9a h GLU 68 CO -0.11 0.54 0.12 -0.92 -0.73 0.00 0.00 179.01 177.91 2k9a h TYR 69 N 0.64 0.26 0.30 0.92 3.20 -0.99 -0.40 116.97 120.90 2k9a h TYR 69 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 69 Cb 0.06 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2k9a h TYR 69 CO -0.02 0.18 -0.14 0.82 -1.64 0.00 0.00 178.16 177.36 2k9a h ILE 70 N 0.28 0.00 -0.10 1.81 1.08 -0.88 0.16 117.51 119.86 2k9a h ILE 70 Ca 0.07 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 63.99 2k9a h ILE 70 Cb -0.00 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.74 2k9a h ILE 70 CO -0.01 0.00 0.11 -1.28 -0.69 0.00 0.00 178.15 176.28 2k9a h SER 71 N -0.99 0.00 0.00 1.72 0.87 -1.23 0.71 113.55 114.63 2k9a h SER 71 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2k9a h SER 71 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2k9a h SER 71 CO 0.07 0.00 -0.30 -0.11 -0.53 0.00 0.00 176.83 175.96 2k9a n LEU 72 N -3.87 1.02 0.11 2.23 -0.00 -0.17 -4.15 117.00 112.17 2k9a n LEU 72 Ca -0.00 0.45 -0.06 0.00 -0.00 0.00 0.00 56.01 56.40 2k9a n LEU 72 Cb 0.22 -0.71 -0.03 0.00 -0.00 0.00 0.00 43.42 42.91 2k9a n LEU 72 CO 0.28 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 177.92 2k9a h VAL 73 N -0.56 0.00 -0.86 1.96 2.07 -0.69 -2.05 116.25 116.12 2k9a h VAL 73 Ca 0.00 -0.68 0.15 0.00 0.82 0.00 0.00 66.70 66.99 2k9a h VAL 73 Cb 0.30 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 2k9a h VAL 73 CO 0.00 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 177.95 2k9a h GLU 74 N -1.05 0.59 -0.26 1.57 4.22 -0.81 0.15 114.58 118.99 2k9a h GLU 74 Ca -0.04 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 2k9a h GLU 74 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k9a h GLU 74 CO 0.06 0.39 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.77 2k9a h LYS 75 N 0.61 0.53 -0.50 1.92 3.64 -1.05 -2.76 116.57 118.96 2k9a h LYS 75 Ca 0.47 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2k9a h LYS 75 Cb 0.70 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 2k9a h LYS 75 CO -0.38 0.77 0.30 -0.92 -2.27 0.00 0.00 179.45 176.95 2k9a h TYR 76 N 0.46 0.56 -0.35 1.91 3.20 0.04 0.18 116.97 122.97 2k9a h TYR 76 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2k9a h TYR 76 Cb 0.74 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2k9a h TYR 76 CO 0.03 0.32 0.13 0.82 -1.64 0.00 0.00 178.16 177.82 2k9a h ILE 77 N 0.59 1.19 -0.37 1.81 2.04 -1.23 -1.36 117.51 120.19 2k9a h ILE 77 Ca 0.20 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2k9a h ILE 77 Cb 0.02 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2k9a h ILE 77 CO -0.09 0.21 0.22 -0.08 0.00 0.00 0.00 178.15 178.41 2k9a h GLU 78 N 0.41 0.50 -0.64 2.37 4.81 -1.19 -2.53 114.58 118.31 2k9a h GLU 78 Ca 0.11 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2k9a h GLU 78 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2k9a h GLU 78 CO -0.01 0.39 0.24 0.93 -0.73 0.00 0.00 179.01 179.83 2k9a h GLU 79 N 0.48 0.97 -0.74 1.92 5.08 -0.87 -1.65 114.58 119.77 2k9a h GLU 79 Ca 0.13 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 79 Cb 0.02 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2k9a h GLU 79 CO -0.02 0.83 0.47 1.96 -1.00 0.00 0.00 179.01 181.25 2k9a h GLN 80 N 0.91 0.89 -0.14 2.33 1.08 -1.05 -1.23 115.11 117.90 2k9a h GLN 80 Ca 0.21 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.21 2k9a h GLN 80 Cb 0.24 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2k9a h GLN 80 CO -0.01 0.59 -0.57 -0.07 -0.95 0.00 0.00 178.83 177.81 2k9a h LEU 81 N 0.91 0.47 -1.40 1.46 3.38 -1.26 -2.97 115.31 115.91 2k9a h LEU 81 Ca 0.30 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 81 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2k9a h LEU 81 CO -0.11 0.94 -0.22 -0.07 0.09 0.00 0.00 178.44 179.07 2k9a h LEU 82 N 0.32 0.00 -2.42 1.67 3.38 -0.69 0.11 115.31 117.67 2k9a h LEU 82 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 82 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k9a h LEU 82 CO 0.10 0.22 -0.00 1.56 0.09 0.00 0.00 178.44 180.40 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.07 -2.95 115.11 116.42 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 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2k9a h GLN 83 CO 0.03 0.00 -0.82 0.54 -0.67 0.00 0.00 178.83 177.91 2k9a n ARG 84 N -3.11 1.17 -3.53 1.46 1.74 -0.99 -4.89 116.66 108.50 2k9a n ARG 84 Ca -0.02 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 2k9a n ARG 84 Cb 0.16 -0.91 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.79 0.90 -1.54 0.55 1.01 0.34 -4.96 121.20 115.71 2k9a s ILE 85 Ca 0.00 -2.80 0.08 0.00 0.00 0.00 0.00 60.65 57.93 2k9a s ILE 85 Cb 0.00 -1.62 0.16 0.00 0.01 0.00 0.00 42.46 41.01 2k9a s ILE 85 CO 0.00 -1.12 1.09 -2.65 0.00 0.00 0.00 174.94 172.26 2k9a n PRO 86 N 2.94 0.14 -0.37 2.79 -0.02 -1.16 -1.34 135.00 137.99 2k9a n PRO 86 Ca 0.23 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2k9a n PRO 86 Cb 0.42 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.23 2.96 -2.99 -0.52 1.02 -1.26 -5.01 120.64 113.61 2k9a n GLU 87 Ca 0.04 -2.58 -0.35 0.00 -0.02 0.00 0.00 57.16 54.25 2k9a n GLU 87 Cb 0.06 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.75 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 -2.20 3.56 -0.34 -0.32 5.36 -0.45 -5.05 117.98 118.54 2k9a s PHE 88 Ca 0.36 1.49 0.02 0.00 -0.96 0.00 0.00 56.93 57.83 2k9a s PHE 88 Cb 0.27 -2.71 0.10 0.00 -0.34 0.00 0.00 43.02 40.34 2k9a s PHE 88 CO 0.11 0.19 0.09 1.21 -1.46 0.00 0.00 175.22 175.37 2k9a s ASN 89 N -1.84 4.33 0.33 6.13 3.84 -1.26 -4.98 114.94 121.48 2k9a s ASN 89 Ca 0.50 -1.96 0.03 0.00 0.21 0.00 0.00 52.86 51.65 2k9a s ASN 89 Cb -0.15 -1.22 0.59 0.00 -0.55 0.00 0.00 41.25 39.92 2k9a s ASN 89 CO 0.20 -0.39 1.89 -0.03 -2.79 0.00 0.00 177.10 175.98 2k9a h MET 90 N 7.76 0.61 0.31 0.43 1.85 -1.96 -0.03 114.93 123.89 2k9a h MET 90 Ca -0.09 -0.11 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 2k9a h MET 90 Cb 1.01 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.94 2k9a h MET 90 CO 0.50 0.57 -0.15 0.00 -0.40 0.00 0.00 176.91 177.44 2k9a h ALA 91 N 1.50 -0.41 -0.05 0.39 0.00 -2.00 -1.24 119.26 117.45 2k9a h ALA 91 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2k9a h ALA 91 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k9a h ALA 91 CO 0.00 -0.64 -0.48 0.00 0.00 0.00 0.00 179.25 178.12 2k9a h ALA 92 N 0.04 1.11 -0.25 0.00 0.00 -1.97 -2.71 119.26 115.47 2k9a h ALA 92 Ca -0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2k9a h ALA 92 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k9a h ALA 92 CO 0.07 0.63 -0.02 0.35 0.00 0.00 0.00 179.25 180.27 2k9a h PHE 93 N 0.09 0.51 -0.40 0.00 3.57 -0.93 -2.34 116.94 117.45 2k9a h PHE 93 Ca 0.00 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 2k9a h PHE 93 Cb 0.89 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2k9a h PHE 93 CO 0.01 0.64 0.11 1.79 -2.23 0.00 0.00 178.31 178.63 2k9a h THR 94 N 0.22 1.22 -0.44 4.41 1.35 -1.19 0.60 112.91 119.09 2k9a h THR 94 Ca 0.07 -0.75 0.05 0.00 -0.55 0.00 0.00 66.41 65.23 2k9a h THR 94 Cb 0.46 0.96 -0.04 0.00 -1.73 0.00 0.00 68.15 67.79 2k9a h THR 94 CO 0.02 0.26 0.19 0.74 -0.25 0.00 0.00 175.52 176.48 2k9a h THR 95 N 0.50 0.92 0.00 6.82 2.02 -1.46 -1.36 112.91 120.33 2k9a h THR 95 Ca 0.13 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2k9a h THR 95 Cb 0.29 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2k9a h THR 95 CO -0.00 0.07 -0.52 0.74 0.37 0.00 0.00 175.52 176.18 2k9a h THR 96 N 0.39 1.31 -0.60 3.16 2.02 -1.30 -3.02 112.91 114.87 2k9a h THR 96 Ca 0.20 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 2k9a h THR 96 Cb 0.15 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2k9a h THR 96 CO -0.17 0.51 0.31 0.25 0.37 0.00 0.00 175.52 176.78 2k9a h LEU 97 N 0.00 0.75 -1.38 2.58 6.46 0.22 -2.33 115.31 121.61 2k9a h LEU 97 Ca -0.01 -0.06 0.22 0.00 -0.12 0.00 0.00 57.88 57.91 2k9a h LEU 97 Cb 0.95 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.60 2k9a h LEU 97 CO 0.07 0.62 0.63 1.56 -0.62 0.00 0.00 178.44 180.70 2k9a h GLN 98 N 0.84 0.45 0.13 1.25 1.08 -1.26 0.33 115.11 117.94 2k9a h GLN 98 Ca 0.21 -0.03 -0.34 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 98 Cb 0.06 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2k9a h GLN 98 CO -0.03 0.30 -1.76 0.45 -0.95 0.00 0.00 178.83 176.84 2k9a h HIS 99 N 0.46 0.52 0.00 2.96 3.86 -1.64 -3.30 115.15 118.01 2k9a h HIS 99 Ca 0.53 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2k9a h HIS 99 Cb 1.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2k9a h HIS 99 CO -0.00 1.57 0.00 0.72 0.86 0.00 0.00 177.93 181.07 2k9a n HIS 100 N -3.47 0.00 0.30 2.45 8.25 -0.28 -2.65 115.22 119.82 2k9a n HIS 100 Ca -0.24 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.40 2k9a n HIS 100 Cb 1.06 -0.13 0.81 0.00 1.12 0.00 0.00 29.99 32.84 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 -0.49 -1.07 116.57 118.24 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 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2k9a h LYS 101 CO 0.00 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.71 2k9a n ASP 102 N -2.93 0.00 0.02 4.20 2.03 -1.08 -4.19 116.55 114.60 2k9a n ASP 102 Ca -0.00 0.42 -0.02 0.00 0.52 0.00 0.00 54.79 55.71 2k9a n ASP 102 Cb 0.21 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.47 0.10 -0.83 -0.67 2.13 -0.56 -5.06 120.64 114.28 2k9a n GLU 103 Ca 0.07 0.04 -0.33 0.00 0.66 0.00 0.00 57.16 57.60 2k9a n GLU 103 Cb 0.27 -0.68 0.14 0.00 0.27 0.00 0.00 31.44 31.44 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k9a n VAL 104 N -3.68 0.44 -1.52 6.31 3.14 -0.51 -4.78 118.33 117.73 2k9a n VAL 104 Ca -0.03 -0.14 -0.45 0.00 -2.96 0.00 0.00 64.34 60.76 2k9a n VAL 104 Cb 0.11 -0.85 -0.05 0.00 -1.06 0.00 0.00 33.84 31.99 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a n ALA 105 N -3.69 1.29 0.17 1.55 0.00 -1.26 -4.82 120.51 113.74 2k9a n ALA 105 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2k9a n ALA 105 Cb 0.52 -2.79 0.42 0.00 0.00 0.00 0.00 19.45 17.60 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 14.62 0.11 1.45 0.00 0.00 -1.86 -2.61 103.07 114.78 2k9a h GLY 106 Ca -0.31 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2k9a h GLY 106 CO 1.03 0.06 -0.05 -0.55 0.00 0.00 0.00 176.54 177.03 2k9a h ASP 107 N 0.09 0.64 0.00 0.19 5.19 -1.97 -0.08 116.42 120.49 2k9a h ASP 107 Ca 0.02 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2k9a h ASP 107 Cb 0.43 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2k9a h ASP 107 CO 0.03 0.75 -0.00 0.40 -3.12 0.00 0.00 179.24 177.30 2k9a h ILE 108 N 0.62 1.49 0.00 0.35 1.08 -1.87 -3.21 117.51 115.98 2k9a h ILE 108 Ca 0.12 -1.48 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 2k9a h ILE 108 Cb 0.47 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2k9a h ILE 108 CO 0.02 0.38 -0.19 0.15 -0.69 0.00 0.00 178.15 177.83 2k9a h PHE 109 N -0.64 0.00 -1.03 1.37 3.57 -1.46 -2.57 116.94 116.18 2k9a h PHE 109 Ca -0.00 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.76 2k9a h PHE 109 Cb 0.63 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 2k9a h PHE 109 CO 0.15 0.19 0.66 0.22 -2.23 0.00 0.00 178.31 177.30 2k9a h ASP 110 N 0.00 0.46 -0.14 0.41 3.58 -1.00 0.30 116.42 120.02 2k9a h ASP 110 Ca -0.00 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 2k9a h ASP 110 Cb 0.36 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.42 2k9a h ASP 110 CO 0.02 0.10 -0.51 -0.03 -2.88 0.00 0.00 179.24 175.94 2k9a h MET 111 N 0.41 0.60 0.00 0.28 4.05 -1.58 -3.10 114.93 115.59 2k9a h MET 111 Ca 0.59 -0.45 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2k9a h MET 111 Cb 1.47 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.35 2k9a h MET 111 CO -0.29 1.07 -0.09 -0.07 0.23 0.00 0.00 176.91 177.76 2k9a h LEU 112 N 0.25 0.00 -1.87 3.39 3.38 -0.64 -2.80 115.31 117.02 2k9a h LEU 112 Ca -0.02 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2k9a h LEU 112 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2k9a h LEU 112 CO 0.11 0.09 0.63 -0.07 0.09 0.00 0.00 178.44 179.28 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.52 -0.09 115.31 119.75 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 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 -3.81 0.00 -0.04 0.22 -2.24 -1.06 -1.70 114.28 105.65 2k9a n THR 114 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 2k9a n THR 114 Cb 0.87 -0.98 0.25 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.65 0.00 4.78 0.04 -1.29 -3.41 116.94 117.72 2k9a h PHE 115 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k9a h PHE 115 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2k9a h PHE 115 CO 0.00 0.62 0.00 0.25 -0.60 0.00 0.00 178.31 178.58 2k9a n THR 116 N -4.26 0.00 -1.79 -1.55 -2.24 -0.96 -5.02 114.28 98.46 2k9a n THR 116 Ca 0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 2k9a n THR 116 Cb 0.26 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.22 4.48 0.61 3.42 2.15 -0.69 -4.75 116.67 120.67 2k9a s ASP 117 Ca 0.00 -0.26 0.35 0.00 0.43 0.00 0.00 52.55 53.07 2k9a s ASP 117 Cb 0.00 -2.55 2.01 0.00 -0.30 0.00 0.00 42.92 42.08 2k9a s ASP 117 CO 0.00 -3.34 2.29 0.15 -0.17 0.00 0.00 175.17 174.10 2k9a h PHE 118 N 12.20 0.00 -0.48 -5.34 3.57 -1.90 -1.58 116.94 123.41 2k9a h PHE 118 Ca 0.04 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2k9a h PHE 118 Cb 1.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2k9a h PHE 118 CO 1.18 0.00 0.00 1.25 -2.23 0.00 0.00 178.31 178.52 2k9a h LEU 119 N 0.00 0.83 -0.30 0.59 7.12 -1.96 -1.28 115.31 120.31 2k9a h LEU 119 Ca -0.00 -0.31 -0.19 0.00 0.13 0.00 0.00 57.88 57.52 2k9a h LEU 119 Cb 0.01 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 2k9a h LEU 119 CO 0.00 0.93 -0.86 0.00 -0.13 0.00 0.00 178.44 178.38 2k9a h ALA 120 N 0.93 0.56 0.23 1.25 0.00 -1.67 -2.24 119.26 118.32 2k9a h ALA 120 Ca 0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2k9a h ALA 120 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k9a h ALA 120 CO 0.02 0.97 -0.11 0.35 0.00 0.00 0.00 179.25 180.49 2k9a h PHE 121 N 0.06 -0.29 -0.33 0.00 3.57 -1.25 0.04 116.94 118.73 2k9a h PHE 121 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 121 Cb 1.50 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 2k9a h PHE 121 CO 0.02 0.03 0.12 -0.22 -2.23 0.00 0.00 178.31 176.02 2k9a h LYS 122 N -0.62 0.50 0.00 1.11 3.64 -1.32 -2.50 116.57 117.39 2k9a h LYS 122 Ca -0.03 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2k9a h LYS 122 Cb 0.45 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2k9a h LYS 122 CO 0.05 0.52 -0.15 1.49 -2.27 0.00 0.00 179.45 179.10 2k9a h GLU 123 N 0.38 0.00 -0.18 1.90 4.81 -1.43 -2.38 114.58 117.69 2k9a h GLU 123 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2k9a h GLU 123 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 123 CO -0.01 0.15 0.01 1.98 -0.73 0.00 0.00 179.01 180.42 2k9a h MET 124 N 0.00 0.31 -0.56 1.92 4.05 -0.54 -1.73 114.93 118.38 2k9a h MET 124 Ca -0.00 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 2k9a h MET 124 Cb 0.28 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 2k9a h MET 124 CO 0.02 0.50 0.11 0.74 0.23 0.00 0.00 176.91 178.51 2k9a h PHE 125 N 0.07 0.97 -0.80 1.39 0.04 -1.21 0.03 116.94 117.44 2k9a h PHE 125 Ca 0.05 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2k9a h PHE 125 Cb 0.35 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 2k9a h PHE 125 CO 0.03 0.85 0.43 -0.07 -0.60 0.00 0.00 178.31 178.95 2k9a h LEU 126 N 0.82 1.00 -0.57 1.54 4.07 -1.39 -0.63 115.31 120.15 2k9a h LEU 126 Ca 0.17 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 2k9a h LEU 126 Cb 0.39 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2k9a h LEU 126 CO 0.01 0.81 -0.71 -0.78 -1.08 0.00 0.00 178.44 176.69 2k9a h ASP 127 N 1.11 0.07 -0.20 -0.43 3.58 -1.14 -2.54 116.42 116.86 2k9a h ASP 127 Ca 0.28 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 2k9a h ASP 127 Cb 0.04 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2k9a h ASP 127 CO -0.04 0.75 -0.17 0.22 -2.88 0.00 0.00 179.24 177.12 2k9a h TYR 128 N 0.04 0.56 -0.55 0.28 3.20 -0.50 -2.33 116.97 117.67 2k9a h TYR 128 Ca -0.01 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.61 2k9a h TYR 128 Cb 1.25 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2k9a h TYR 128 CO 0.01 0.81 0.02 -0.09 -1.64 0.00 0.00 178.16 177.26 2k9a h ARG 129 N 0.15 0.95 -0.44 1.82 2.43 -1.15 -2.80 114.38 115.35 2k9a h ARG 129 Ca 0.04 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 2k9a h ARG 129 Cb 0.70 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2k9a h ARG 129 CO 0.04 0.96 0.17 0.00 -1.51 0.00 0.00 179.97 179.63 2k9a h ALA 130 N 0.96 1.48 0.00 2.80 0.00 -1.45 -1.70 119.26 121.34 2k9a h ALA 130 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2k9a h ALA 130 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k9a h ALA 130 CO 0.03 0.40 -0.24 1.49 0.00 0.00 0.00 179.25 180.93 2k9a h GLU 131 N 0.62 0.00 -0.06 0.00 4.57 -1.15 -2.32 114.58 116.24 2k9a h GLU 131 Ca 0.15 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2k9a h GLU 131 Cb 0.14 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2k9a h GLU 131 CO -0.01 0.24 0.04 0.87 -1.18 0.00 0.00 179.01 178.96 2k9a h LYS 132 N 0.00 0.09 -0.12 1.92 1.79 -1.16 -2.12 116.57 116.96 2k9a h LYS 132 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k9a h LYS 132 Cb 0.50 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2k9a h LYS 132 CO 0.03 0.11 0.00 -0.85 -1.08 0.00 0.00 179.45 177.66 2k9a n GLU 133 N -5.02 1.48 0.09 3.15 0.28 -1.13 -3.84 120.64 115.65 2k9a n GLU 133 Ca -0.06 -0.72 -0.15 0.00 -0.16 0.00 0.00 57.16 56.07 2k9a n GLU 133 Cb 0.05 -1.34 -0.08 0.00 1.43 0.00 0.00 31.44 31.50 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2k9a h GLY 134 N 5.19 0.40 -4.49 -1.84 0.00 -0.81 -3.44 103.07 98.09 2k9a h GLY 134 Ca 0.00 -0.82 -0.54 0.00 0.00 0.00 0.00 47.33 45.97 2k9a h GLY 134 CO 0.00 0.72 0.28 0.50 0.00 0.00 0.00 176.54 178.04 2k9a s ARG 135 N -3.01 4.56 0.00 4.80 0.52 -1.23 -5.09 118.95 119.49 2k9a s ARG 135 Ca -0.05 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 2k9a s ARG 135 Cb 0.08 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.13 2k9a s ARG 135 CO 0.88 0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.69