#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 -5.04 -2.31 7.83 9.92 -1.26 -4.15 116.55 121.54 2k9a n ASP 2 Ca 0.00 0.42 -0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2k9a n ASP 2 Cb 0.00 -4.33 -0.00 0.00 -0.64 0.00 0.00 41.12 36.14 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 1.13 -2.19 -1.93 2.24 0.00 -1.26 -5.02 120.51 113.49 2k9a n ALA 3 Ca -0.17 0.62 -0.27 0.00 0.00 0.00 0.00 53.44 53.62 2k9a n ALA 3 Cb 0.61 -1.66 0.10 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.58 2.77 -0.00 0.00 1.02 -1.26 -5.08 118.68 115.54 2k9a s LEU 4 Ca -0.02 0.38 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 2k9a s LEU 4 Cb 0.00 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 2k9a s LEU 4 CO 0.06 -1.88 0.09 -1.61 0.02 0.00 0.00 176.35 173.03 2k9a s GLU 5 N -5.40 3.09 -1.38 1.70 0.41 -1.26 -4.38 118.70 111.47 2k9a s GLU 5 Ca 0.64 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 2k9a s GLU 5 Cb -0.09 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.39 2k9a s GLU 5 CO 0.47 0.65 0.00 0.41 -0.49 0.00 0.00 175.26 176.29 2k9a n GLY 6 N 1.14 1.38 2.71 -1.39 0.00 -1.26 -4.97 105.19 102.81 2k9a n GLY 6 Ca -0.13 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2k9a n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k9a s GLU 7 N -3.09 0.15 0.33 1.61 2.12 -1.26 -5.15 118.70 113.41 2k9a s GLU 7 Ca 0.00 0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.53 2k9a s GLU 7 Cb 0.00 -1.34 -0.07 0.00 0.26 0.00 0.00 34.13 32.99 2k9a s GLU 7 CO 0.00 -0.64 -0.01 -1.12 -0.54 0.00 0.00 175.26 172.95 2k9a s SER 8 N 2.27 3.00 -0.19 -1.70 0.01 -1.26 -4.70 113.70 111.13 2k9a s SER 8 Ca 0.05 -1.29 -0.16 0.00 1.31 0.00 0.00 55.95 55.87 2k9a s SER 8 Cb -0.16 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2k9a s SER 8 CO -0.11 -0.43 0.38 -0.36 0.41 0.00 0.00 173.24 173.13 2k9a s PHE 9 N -2.99 3.39 -0.02 2.43 0.08 -1.26 -5.07 117.98 114.54 2k9a s PHE 9 Ca 0.33 0.61 0.01 0.00 0.12 0.00 0.00 56.93 58.01 2k9a s PHE 9 Cb 0.07 -2.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2k9a s PHE 9 CO 0.15 0.03 -0.04 0.00 -0.10 0.00 0.00 175.22 175.25 2k9a s ALA 10 N 1.18 0.52 -0.00 5.36 0.00 -1.26 -5.01 121.76 122.54 2k9a s ALA 10 Ca 0.19 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 2k9a s ALA 10 Cb -0.15 -0.25 -0.16 0.00 0.00 0.00 0.00 23.12 22.57 2k9a s ALA 10 CO 0.07 0.05 1.14 -0.07 0.00 0.00 0.00 175.76 176.95 2k9a h LEU 11 N 6.59 -0.38-10.30 0.00 3.38 -1.97 -3.45 115.31 109.18 2k9a h LEU 11 Ca -0.34 -0.17 -0.44 0.00 0.09 0.00 0.00 57.88 57.02 2k9a h LEU 11 Cb 1.17 0.10 0.18 0.00 0.09 0.00 0.00 40.66 42.20 2k9a h LEU 11 CO 0.49 0.01 0.12 -0.94 0.09 0.00 0.00 178.44 178.21 2k9a s SER 12 N -5.05 1.78 0.83 -0.43 1.04 -1.26 -5.05 113.70 105.55 2k9a s SER 12 Ca -0.14 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.41 2k9a s SER 12 Cb 0.02 -1.81 0.08 0.00 0.10 0.00 0.00 66.02 64.41 2k9a s SER 12 CO 0.51 -3.65 0.50 0.49 0.98 0.00 0.00 173.24 172.07 2k9a n PHE 13 N -4.52 -3.71 -1.70 5.02 3.72 -1.26 -5.02 117.46 110.00 2k9a n PHE 13 Ca 0.05 -0.58 -0.38 0.00 -0.05 0.00 0.00 57.45 56.50 2k9a n PHE 13 Cb 0.57 -0.38 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k9a n SER 14 N -3.21 1.83 0.00 4.37 3.41 -1.26 -4.89 113.62 113.86 2k9a n SER 14 Ca 0.07 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2k9a n SER 14 Cb 0.24 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k9a n SER 15 N -1.28 0.00 0.30 4.04 7.64 -1.26 -4.83 113.62 118.23 2k9a n SER 15 Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.85 2k9a n SER 15 Cb 0.47 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.72 -0.10 -0.43 0.00 -1.96 -1.76 119.26 114.29 2k9a h ALA 16 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k9a h ALA 16 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k9a h ALA 16 CO 0.00 -0.87 0.00 -1.13 0.00 0.00 0.00 179.25 177.25 2k9a n SER 17 N -5.38 0.69 -4.97 0.00 3.41 -1.26 -4.57 113.62 101.53 2k9a n SER 17 Ca -0.12 -1.75 -0.20 0.00 -0.26 0.00 0.00 58.87 56.53 2k9a n SER 17 Cb 0.31 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.21 2k9a n SER 17 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k9a s ASP 18 N -1.31 5.14 0.52 4.04 1.11 -0.93 -5.01 116.67 120.23 2k9a s ASP 18 Ca 0.20 -0.80 0.29 0.00 0.18 0.00 0.00 52.55 52.42 2k9a s ASP 18 Cb 0.10 -0.08 1.39 0.00 1.07 0.00 0.00 42.92 45.40 2k9a s ASP 18 CO 0.15 -1.03 2.02 0.00 1.18 0.00 0.00 175.17 177.50 2k9a h ALA 19 N 0.56 1.15 -0.70 5.23 0.00 -1.89 -3.01 119.26 120.59 2k9a h ALA 19 Ca -0.36 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k9a h ALA 19 Cb 1.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2k9a h ALA 19 CO 0.48 0.15 0.40 1.49 0.00 0.00 0.00 179.25 181.77 2k9a h GLU 20 N 0.00 0.71 -0.42 0.00 4.81 -1.93 -2.26 114.58 115.49 2k9a h GLU 20 Ca -0.00 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2k9a h GLU 20 Cb 0.44 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 20 CO 0.02 0.47 -0.02 0.35 -0.73 0.00 0.00 179.01 179.09 2k9a h PHE 21 N 0.73 -0.07 -0.97 0.92 3.57 -1.19 -0.79 116.94 119.14 2k9a h PHE 21 Ca 0.31 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.89 2k9a h PHE 21 Cb 0.19 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 2k9a h PHE 21 CO -0.07 -0.11 0.64 0.22 -2.23 0.00 0.00 178.31 176.76 2k9a h ASP 22 N 0.08 1.05 -0.38 0.41 1.82 -1.58 -2.27 116.42 115.55 2k9a h ASP 22 Ca 0.21 -0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.86 2k9a h ASP 22 Cb 0.30 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 2k9a h ASP 22 CO -0.36 0.72 0.21 0.00 -1.61 0.00 0.00 179.24 178.19 2k9a h ALA 23 N 1.44 0.47 -0.90 -0.78 0.00 -0.70 -2.31 119.26 116.48 2k9a h ALA 23 Ca 0.39 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2k9a h ALA 23 Cb 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 23 CO -0.13 -0.14 0.58 0.28 0.00 0.00 0.00 179.25 179.85 2k9a h VAL 24 N 0.43 1.12 -0.86 0.00 2.07 -0.78 -1.76 116.25 116.47 2k9a h VAL 24 Ca 0.15 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.37 2k9a h VAL 24 Cb 0.02 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.65 2k9a h VAL 24 CO -0.08 0.20 0.52 0.58 0.02 0.00 0.00 177.57 178.81 2k9a h VAL 25 N 1.10 1.01 -0.65 2.57 2.07 -1.03 -1.15 116.25 120.17 2k9a h VAL 25 Ca 0.37 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2k9a h VAL 25 Cb 0.06 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 2k9a h VAL 25 CO -0.14 0.17 0.25 1.23 0.02 0.00 0.00 177.57 179.10 2k9a h GLY 26 N 0.93 1.05 1.42 2.17 0.00 -0.96 -2.63 103.07 105.05 2k9a h GLY 26 Ca 0.38 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2k9a h GLY 26 CO -0.19 0.55 0.11 -0.97 0.00 0.00 0.00 176.54 176.04 2k9a h TYR 27 N 0.92 0.75 -0.21 5.60 0.05 -0.88 -2.59 116.97 120.60 2k9a h TYR 27 Ca 0.21 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2k9a h TYR 27 Cb 0.22 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2k9a h TYR 27 CO 0.01 0.64 0.13 -0.07 -1.05 0.00 0.00 178.16 177.82 2k9a h LEU 28 N 0.71 0.26 -1.03 3.88 3.38 -0.90 -2.18 115.31 119.43 2k9a h LEU 28 Ca 0.16 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2k9a h LEU 28 Cb 0.27 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2k9a h LEU 28 CO -0.00 0.23 0.65 -0.33 0.09 0.00 0.00 178.44 179.07 2k9a h GLU 29 N 0.26 1.16 -0.25 1.13 5.08 -1.21 -0.76 114.58 120.00 2k9a h GLU 29 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k9a h GLU 29 Cb 0.02 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2k9a h GLU 29 CO -0.01 0.77 0.01 0.22 -1.00 0.00 0.00 179.01 178.99 2k9a h ASP 30 N 1.20 0.34 -0.09 1.42 3.58 -1.08 -2.27 116.42 119.52 2k9a h ASP 30 Ca 0.42 -0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.60 2k9a h ASP 30 Cb 0.11 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.09 2k9a h ASP 30 CO -0.15 0.39 -0.79 0.40 -2.88 0.00 0.00 179.24 176.21 2k9a h ILE 31 N 0.36 1.30 -0.21 2.25 2.04 -0.57 -1.78 117.51 120.90 2k9a h ILE 31 Ca 0.08 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 2k9a h ILE 31 Cb 0.23 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2k9a h ILE 31 CO 0.00 0.63 0.09 0.40 0.00 0.00 0.00 178.15 179.27 2k9a h ILE 32 N 0.38 1.09 -0.44 -0.67 2.04 -0.92 -0.82 117.51 118.17 2k9a h ILE 32 Ca -0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2k9a h ILE 32 Cb 1.44 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2k9a h ILE 32 CO 0.16 0.10 0.00 0.23 0.00 0.00 0.00 178.15 178.64 2k9a n MET 33 N -4.45 2.45 -2.49 2.37 2.81 -0.88 -4.80 117.12 112.13 2k9a n MET 33 Ca 0.00 -2.21 -0.41 0.00 -1.81 0.00 0.00 57.70 53.27 2k9a n MET 33 Cb 0.12 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.37 7.19 0.11 7.83 2.15 -0.31 -4.96 116.67 127.31 2k9a s ASP 34 Ca 0.40 2.03 -0.24 0.00 0.43 0.00 0.00 52.55 55.17 2k9a s ASP 34 Cb 0.22 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 40.16 2k9a s ASP 34 CO 0.31 -0.33 1.69 0.44 -0.17 0.00 0.00 175.17 177.11 2k9a h ASP 35 N 5.94 -0.35 -0.14 -0.34 5.19 -1.89 -1.42 116.42 123.41 2k9a h ASP 35 Ca -0.43 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.07 2k9a h ASP 35 Cb 1.21 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 2k9a h ASP 35 CO 0.76 -0.18 0.14 -0.08 -3.12 0.00 0.00 179.24 176.76 2k9a h GLU 36 N -0.23 0.00 0.05 3.56 4.81 -1.94 -0.63 114.58 120.20 2k9a h GLU 36 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 2k9a h GLU 36 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k9a h GLU 36 CO -0.09 0.00 -1.04 0.35 -0.73 0.00 0.00 179.01 177.50 2k9a h PHE 37 N 0.00 0.60 -0.36 0.92 3.57 -1.55 -2.47 116.94 117.64 2k9a h PHE 37 Ca 0.06 -0.36 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 2k9a h PHE 37 Cb 0.35 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k9a h PHE 37 CO 0.00 1.20 -0.13 1.96 -2.23 0.00 0.00 178.31 179.11 2k9a h GLN 38 N 0.19 0.73 -0.20 1.11 4.20 -0.27 -2.06 115.11 118.81 2k9a h GLN 38 Ca -0.10 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.24 2k9a h GLN 38 Cb 1.71 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.45 2k9a h GLN 38 CO 0.18 0.90 -0.12 1.25 -0.67 0.00 0.00 178.83 180.37 2k9a h LEU 39 N 0.52 0.45 0.05 1.46 5.85 -1.49 -2.23 115.31 119.93 2k9a h LEU 39 Ca 0.09 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.39 2k9a h LEU 39 Cb 0.66 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2k9a h LEU 39 CO 0.04 0.79 -0.13 0.25 -0.34 0.00 0.00 178.44 179.05 2k9a h LEU 40 N 0.12 -0.37 0.14 2.25 5.85 -1.45 0.12 115.31 121.99 2k9a h LEU 40 Ca 0.04 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2k9a h LEU 40 Cb 0.63 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2k9a h LEU 40 CO 0.03 -0.19 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.24 2k9a h GLN 41 N -0.25 -0.22 -0.32 1.25 4.15 -1.41 -2.61 115.11 115.70 2k9a h GLN 41 Ca 0.03 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 2k9a h GLN 41 Cb 0.28 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2k9a h GLN 41 CO -0.09 -0.15 0.09 -0.09 -1.93 0.00 0.00 178.83 176.66 2k9a h ARG 42 N -0.23 0.46 -0.05 1.69 2.43 -1.30 0.25 114.38 117.63 2k9a h ARG 42 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k9a h ARG 42 Cb 0.19 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2k9a h ARG 42 CO 0.01 0.42 0.04 -0.91 -1.51 0.00 0.00 179.97 178.01 2k9a h ASN 43 N 0.45 0.06 0.43 -3.80 2.35 -0.39 -1.91 115.58 112.77 2k9a h ASN 43 Ca 0.11 -0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 2k9a h ASN 43 Cb 0.16 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.53 2k9a h ASN 43 CO -0.01 0.06 -1.25 -0.26 -1.65 0.00 0.00 177.43 174.33 2k9a h PHE 44 N 0.06 0.70 -0.00 1.19 -1.00 -1.30 -3.22 116.94 113.37 2k9a h PHE 44 Ca 0.02 -0.48 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2k9a h PHE 44 Cb 0.01 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2k9a h PHE 44 CO -0.07 1.35 0.01 0.52 -1.61 0.00 0.00 178.31 178.51 2k9a h MET 45 N 0.15 0.00 -0.10 1.51 2.86 -0.89 -0.56 114.93 117.89 2k9a h MET 45 Ca -0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2k9a h MET 45 Cb 1.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2k9a h MET 45 CO 0.22 0.00 0.06 0.22 1.06 0.00 0.00 176.91 178.47 2k9a h ASP 46 N 0.00 0.12 0.05 1.22 1.82 -1.35 -1.13 116.42 117.14 2k9a h ASP 46 Ca 0.00 -0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.26 2k9a h ASP 46 Cb 0.01 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.94 2k9a h ASP 46 CO -0.00 0.09 -2.32 0.29 -1.61 0.00 0.00 179.24 175.69 2k9a n LYS 47 N -4.52 0.69 -0.16 0.28 4.76 -0.32 -4.25 118.16 114.63 2k9a n LYS 47 Ca -0.01 0.18 -0.05 0.00 -2.87 0.00 0.00 58.31 55.55 2k9a n LYS 47 Cb 0.09 -1.58 0.04 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.02 0.51 0.00 2.13 -1.99 -1.13 -1.00 116.97 115.51 2k9a h TYR 48 Ca -0.53 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.22 2k9a h TYR 48 Cb 1.95 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.53 2k9a h TYR 48 CO 0.04 0.27 0.00 0.10 -0.00 0.00 0.00 178.16 178.58 2k9a h TYR 49 N 0.55 0.00 0.08 4.88 -0.00 -1.43 -1.36 116.97 119.69 2k9a h TYR 49 Ca 0.21 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.79 2k9a h TYR 49 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.81 2k9a h TYR 49 CO -0.08 0.00 -0.68 -0.07 -0.00 0.00 0.00 178.16 177.32 2k9a h LEU 50 N 0.00 0.28 -0.51 0.10 3.38 -1.37 -3.36 115.31 113.83 2k9a h LEU 50 Ca 0.00 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 56.89 2k9a h LEU 50 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k9a h LEU 50 CO 0.00 1.31 -0.55 -0.33 0.09 0.00 0.00 178.44 178.97 2k9a h GLU 51 N -0.60 0.56 -5.95 1.13 4.39 -1.16 -3.38 114.58 109.56 2k9a h GLU 51 Ca -0.14 -0.36 -0.52 0.00 0.34 0.00 0.00 59.36 58.68 2k9a h GLU 51 Cb 1.44 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 30.04 2k9a h GLU 51 CO 0.06 0.96 1.39 -0.06 -1.16 0.00 0.00 179.01 180.20 2k9a s PHE 52 N -4.00 2.36 -0.05 4.33 0.40 -0.54 -4.95 117.98 115.53 2k9a s PHE 52 Ca -0.07 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 2k9a s PHE 52 Cb 0.11 -4.52 -0.02 0.00 0.51 0.00 0.00 43.02 39.10 2k9a s PHE 52 CO 0.84 -1.84 -0.16 -1.21 0.70 0.00 0.00 175.22 173.56 2k9a s GLU 53 N 5.44 2.50 -0.78 0.44 2.02 -1.26 -4.70 118.70 122.36 2k9a s GLU 53 Ca 0.54 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 54.55 2k9a s GLU 53 Cb -0.01 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.88 2k9a s GLU 53 CO -0.04 0.60 1.53 0.34 0.02 0.00 0.00 175.26 177.70 2k9a s ASP 54 N -0.67 5.90 0.22 -0.19 2.15 -1.26 -4.93 116.67 117.88 2k9a s ASP 54 Ca 0.10 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.64 2k9a s ASP 54 Cb -0.11 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2k9a s ASP 54 CO 0.01 -2.00 0.11 0.35 -0.17 0.00 0.00 175.17 173.46 2k9a n THR 55 N 6.84 0.00 0.85 1.71 -2.24 -1.26 -5.06 114.28 115.13 2k9a n THR 55 Ca 0.17 -1.36 0.09 0.00 -2.27 0.00 0.00 64.05 60.69 2k9a n THR 55 Cb 0.50 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2k9a n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a n GLU 56 N -0.47 1.37 -3.32 -0.78 -0.58 -1.26 -4.94 120.64 110.66 2k9a n GLU 56 Ca -0.01 -0.73 -0.38 0.00 -0.42 0.00 0.00 57.16 55.62 2k9a n GLU 56 Cb 0.35 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k9a s GLU 57 N -2.29 4.21 -0.37 3.49 8.01 -1.26 -5.05 118.70 125.45 2k9a s GLU 57 Ca 0.14 0.57 -0.19 0.00 0.01 0.00 0.00 54.97 55.50 2k9a s GLU 57 Cb 0.15 -3.33 0.01 0.00 -4.31 0.00 0.00 34.13 26.65 2k9a s GLU 57 CO 0.54 0.42 0.57 -0.80 0.01 0.00 0.00 175.26 176.00 2k9a s ASN 58 N -0.27 6.34 -0.13 -0.19 0.01 -1.26 -5.05 114.94 114.39 2k9a s ASN 58 Ca 0.27 -0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.29 2k9a s ASN 58 Cb -0.17 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2k9a s ASN 58 CO 0.14 -0.58 0.06 -0.54 -1.51 0.00 0.00 177.10 174.67 2k9a s LYS 59 N 2.56 3.46 0.00 -0.60 1.02 -1.26 -4.98 119.74 119.94 2k9a s LYS 59 Ca 0.21 -0.32 0.29 0.00 0.02 0.00 0.00 55.97 56.17 2k9a s LYS 59 Cb -0.15 -3.04 1.29 0.00 -0.52 0.00 0.00 37.83 35.41 2k9a s LYS 59 CO 0.15 0.57 1.94 1.28 -0.92 0.00 0.00 175.35 178.37 2k9a n LEU 60 N 2.61 0.02 0.14 3.17 4.77 -1.26 -3.58 117.00 122.88 2k9a n LEU 60 Ca -0.18 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 2k9a n LEU 60 Cb 0.53 -0.43 0.50 0.00 -2.33 0.00 0.00 43.42 41.69 2k9a n LEU 60 CO 0.32 0.01 0.79 0.00 -1.33 0.00 0.00 177.39 177.17 2k9a n ILE 61 N -1.44 1.15 0.20 -0.08 0.13 -1.26 -1.49 119.36 116.58 2k9a n ILE 61 Ca 0.09 0.67 0.07 0.00 -1.10 0.00 0.00 62.75 62.48 2k9a n ILE 61 Cb 0.31 -1.67 0.40 0.00 -0.84 0.00 0.00 39.64 37.85 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 0.10 9.51 0.05 -1.99 -2.86 116.97 121.78 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 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 2k9a h TYR 62 CO 0.00 0.31 -0.05 1.15 -1.05 0.00 0.00 178.16 178.52 2k9a h THR 63 N 0.00 1.11 -0.27 -2.88 2.02 -1.56 -1.93 112.91 109.40 2k9a h THR 63 Ca -0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2k9a h THR 63 Cb 0.80 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2k9a h THR 63 CO 0.04 0.26 0.14 -0.65 0.37 0.00 0.00 175.52 175.68 2k9a h PRO 64 N -0.71 0.38 -0.75 6.66 0.11 -1.72 -2.42 132.00 133.55 2k9a h PRO 64 Ca -0.01 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.06 2k9a h PRO 64 Cb 0.54 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 2k9a h PRO 64 CO 0.02 0.36 0.49 0.82 -0.21 0.00 0.00 178.00 179.49 2k9a h ILE 65 N 0.31 1.17 -0.74 4.15 2.04 -1.61 -2.27 117.51 120.56 2k9a h ILE 65 Ca 0.09 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2k9a h ILE 65 Cb 0.09 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 2k9a h ILE 65 CO -0.01 0.18 0.46 0.15 0.00 0.00 0.00 178.15 178.93 2k9a h PHE 66 N 1.00 0.85 -0.90 1.37 3.57 -1.16 -1.53 116.94 120.15 2k9a h PHE 66 Ca 0.28 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 66 Cb -0.09 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 2k9a h PHE 66 CO -0.02 0.47 0.59 -0.91 -2.23 0.00 0.00 178.31 176.21 2k9a h ASN 67 N 0.88 1.01 -0.08 0.41 -0.26 -0.92 -1.08 115.58 115.53 2k9a h ASN 67 Ca 0.31 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 2k9a h ASN 67 Cb 0.07 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2k9a h ASN 67 CO -0.13 0.71 -0.06 -0.08 -1.06 0.00 0.00 177.43 176.81 2k9a h GLU 68 N 1.18 0.32 -0.43 0.81 4.81 -0.85 -1.31 114.58 119.11 2k9a h GLU 68 Ca 0.34 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.36 2k9a h GLU 68 Cb -0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2k9a h GLU 68 CO -0.09 0.40 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.37 2k9a h TYR 69 N 0.31 1.13 0.00 0.92 3.20 -0.65 0.90 116.97 122.78 2k9a h TYR 69 Ca 0.07 -0.31 -0.12 0.00 3.14 0.00 0.00 58.73 61.51 2k9a h TYR 69 Cb 0.31 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2k9a h TYR 69 CO 0.01 1.13 -0.57 0.82 -1.64 0.00 0.00 178.16 177.91 2k9a h ILE 70 N 0.80 1.32 0.00 1.81 1.08 -1.00 0.65 117.51 122.18 2k9a h ILE 70 Ca 0.08 -2.03 -0.22 0.00 -0.39 0.00 0.00 64.86 62.30 2k9a h ILE 70 Cb 0.89 2.12 -0.04 0.00 -3.07 0.00 0.00 36.82 36.73 2k9a h ILE 70 CO 0.08 0.56 -1.25 0.28 -0.69 0.00 0.00 178.15 177.13 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.12 -2.77 113.55 111.40 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k9a h SER 71 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k9a h SER 71 CO 0.07 0.89 -0.36 -0.11 -1.14 0.00 0.00 176.83 176.18 2k9a n LEU 72 N -3.17 1.22 0.12 5.07 -0.00 0.30 -4.17 117.00 116.38 2k9a n LEU 72 Ca -0.07 0.49 -0.06 0.00 -0.00 0.00 0.00 56.01 56.37 2k9a n LEU 72 Cb 0.95 -0.75 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2k9a n LEU 72 CO 0.45 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.12 2k9a h VAL 73 N -0.67 0.00 -0.95 1.96 2.07 -1.07 -2.12 116.25 115.47 2k9a h VAL 73 Ca 0.00 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.11 2k9a h VAL 73 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 2k9a h VAL 73 CO 0.00 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.11 2k9a h GLU 74 N -0.97 0.61 -0.09 1.57 4.22 -1.54 0.12 114.58 118.50 2k9a h GLU 74 Ca -0.04 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.19 2k9a h GLU 74 Cb 0.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k9a h GLU 74 CO 0.06 0.40 -0.67 -0.22 -2.18 0.00 0.00 179.01 176.41 2k9a h LYS 75 N 0.63 0.37 -0.24 1.92 3.11 -1.59 -2.58 116.57 118.19 2k9a h LYS 75 Ca 0.51 -0.28 -0.04 0.00 -2.81 0.00 0.00 60.65 58.03 2k9a h LYS 75 Cb 0.95 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 2k9a h LYS 75 CO -0.26 0.91 -0.01 -0.92 -2.81 0.00 0.00 179.45 176.36 2k9a h TYR 76 N 0.26 0.36 -0.01 1.91 3.20 -0.08 -1.09 116.97 121.53 2k9a h TYR 76 Ca -0.02 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 2k9a h TYR 76 Cb 1.22 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.39 2k9a h TYR 76 CO 0.04 0.38 -0.53 0.82 -1.64 0.00 0.00 178.16 177.22 2k9a h ILE 77 N 0.35 1.44 -0.49 1.81 2.04 -1.24 -2.73 117.51 118.69 2k9a h ILE 77 Ca 0.08 -2.04 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 2k9a h ILE 77 Cb 0.25 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2k9a h ILE 77 CO 0.01 0.59 0.06 1.05 0.00 0.00 0.00 178.15 179.86 2k9a h GLU 78 N -0.16 0.77 -0.08 2.37 4.11 -1.27 -2.53 114.58 117.79 2k9a h GLU 78 Ca -0.06 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.16 2k9a h GLU 78 Cb 1.25 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2k9a h GLU 78 CO 0.11 0.73 -0.08 0.93 0.07 0.00 0.00 179.01 180.77 2k9a h GLU 79 N 0.73 0.18 -0.77 1.06 4.39 -1.27 -0.94 114.58 117.96 2k9a h GLU 79 Ca 0.15 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.80 2k9a h GLU 79 Cb 0.36 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 2k9a h GLU 79 CO 0.01 0.62 0.50 1.96 -1.16 0.00 0.00 179.01 180.94 2k9a h GLN 80 N -0.24 0.87 0.07 2.33 1.08 -1.41 -1.41 115.11 116.39 2k9a h GLN 80 Ca 0.01 -0.05 -0.25 0.00 -1.45 0.00 0.00 58.65 56.91 2k9a h GLN 80 Cb 0.59 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2k9a h GLN 80 CO 0.02 0.57 -1.09 -0.07 -0.95 0.00 0.00 178.83 177.31 2k9a h LEU 81 N 0.89 0.51 -1.12 1.46 3.38 -1.44 -3.27 115.31 115.72 2k9a h LEU 81 Ca 0.32 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2k9a h LEU 81 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k9a h LEU 81 CO -0.10 1.30 -0.27 -0.07 0.09 0.00 0.00 178.44 179.39 2k9a h LEU 82 N 0.16 0.28 -1.99 1.67 3.38 -0.57 0.14 115.31 118.39 2k9a h LEU 82 Ca -0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k9a h LEU 82 Cb 1.76 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2k9a h LEU 82 CO 0.19 0.55 0.00 1.56 0.09 0.00 0.00 178.44 180.83 2k9a h GLN 83 N 0.25 0.00 0.00 1.13 4.20 -1.33 -2.70 115.11 116.66 2k9a h GLN 83 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2k9a h GLN 83 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2k9a h GLN 83 CO 0.04 0.00 -1.60 0.54 -0.67 0.00 0.00 178.83 177.14 2k9a n ARG 84 N -3.00 0.61 -3.57 1.46 5.12 -0.89 -4.87 116.66 111.51 2k9a n ARG 84 Ca -0.01 -0.10 -0.29 0.00 -1.93 0.00 0.00 57.85 55.52 2k9a n ARG 84 Cb 0.20 -1.30 -0.14 0.00 -1.16 0.00 0.00 32.46 30.07 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k9a s ILE 85 N -2.79 0.34 -1.40 0.55 1.01 0.44 -4.98 121.20 114.37 2k9a s ILE 85 Ca -0.05 -1.41 0.11 0.00 0.00 0.00 0.00 60.65 59.31 2k9a s ILE 85 Cb 0.07 -1.27 0.19 0.00 0.01 0.00 0.00 42.46 41.46 2k9a s ILE 85 CO 0.51 -0.83 1.26 -2.65 0.00 0.00 0.00 174.94 173.23 2k9a n PRO 86 N 4.57 0.15 -0.27 2.79 -0.02 -1.20 -1.86 135.00 139.15 2k9a n PRO 86 Ca 0.03 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2k9a n PRO 86 Cb 0.39 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.30 2.59 -2.78 -0.52 -0.58 -1.26 -5.02 120.64 111.77 2k9a n GLU 87 Ca 0.05 -2.51 -0.40 0.00 -0.42 0.00 0.00 57.16 53.88 2k9a n GLU 87 Cb 0.09 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -2.31 3.97 -0.32 -0.32 5.36 -0.78 -4.78 117.98 118.81 2k9a s PHE 88 Ca 0.33 1.88 0.02 0.00 -0.96 0.00 0.00 56.93 58.19 2k9a s PHE 88 Cb 0.25 -2.96 0.10 0.00 -0.34 0.00 0.00 43.02 40.08 2k9a s PHE 88 CO 0.08 0.46 0.07 1.21 -1.46 0.00 0.00 175.22 175.58 2k9a s ASN 89 N -1.13 4.41 0.60 6.13 3.04 -1.26 -4.97 114.94 121.76 2k9a s ASN 89 Ca 0.41 -1.90 0.31 0.00 0.04 0.00 0.00 52.86 51.71 2k9a s ASN 89 Cb -0.26 -1.26 1.83 0.00 -1.54 0.00 0.00 41.25 40.02 2k9a s ASN 89 CO 0.31 -0.40 2.22 -0.03 -3.04 0.00 0.00 177.10 176.17 2k9a h MET 90 N 7.84 0.00 0.34 0.43 1.85 -1.96 0.03 114.93 123.46 2k9a h MET 90 Ca -0.09 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 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 0.50 0.00 -0.16 0.00 -0.40 0.00 0.00 176.91 176.84 2k9a h ALA 91 N 1.93 -0.46 0.00 0.39 0.00 -2.00 -2.58 119.26 116.54 2k9a h ALA 91 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2k9a h ALA 91 Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k9a h ALA 91 CO -0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 179.25 178.57 2k9a h ALA 92 N -0.87 1.15 0.05 0.00 0.00 -1.91 -2.71 119.26 114.97 2k9a h ALA 92 Ca -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 92 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 92 CO 0.08 0.27 -0.02 0.35 0.00 0.00 0.00 179.25 179.92 2k9a h PHE 93 N 0.00 -0.06 -0.76 0.00 3.57 -1.06 -2.59 116.94 116.04 2k9a h PHE 93 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 93 Cb 0.59 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2k9a h PHE 93 CO 0.00 0.41 0.29 1.79 -2.23 0.00 0.00 178.31 178.57 2k9a h THR 94 N -0.57 1.26 -0.65 4.41 1.35 -1.42 0.25 112.91 117.54 2k9a h THR 94 Ca -0.01 -0.83 0.02 0.00 -0.55 0.00 0.00 66.41 65.05 2k9a h THR 94 Cb 0.50 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.26 2k9a h THR 94 CO 0.01 0.33 0.41 0.71 -0.25 0.00 0.00 175.52 176.74 2k9a h THR 95 N 1.11 1.11 0.00 6.82 1.35 -1.53 -2.17 112.91 119.60 2k9a h THR 95 Ca 0.25 -0.28 -0.16 0.00 -0.55 0.00 0.00 66.41 65.67 2k9a h THR 95 Cb 0.23 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.85 2k9a h THR 95 CO -0.02 0.15 -0.78 0.74 -0.25 0.00 0.00 175.52 175.36 2k9a h THR 96 N 0.82 1.47 -0.29 6.82 2.02 -1.18 -3.32 112.91 119.25 2k9a h THR 96 Ca 0.25 -2.76 -0.02 0.00 0.77 0.00 0.00 66.41 64.66 2k9a h THR 96 Cb -0.02 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2k9a h THR 96 CO -0.09 0.77 0.11 0.25 0.37 0.00 0.00 175.52 176.93 2k9a h LEU 97 N 0.00 0.40 -1.81 2.58 6.46 0.05 0.17 115.31 123.16 2k9a h LEU 97 Ca -0.01 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.64 2k9a h LEU 97 Cb 1.46 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 2k9a h LEU 97 CO 0.10 0.47 0.47 0.06 -0.62 0.00 0.00 178.44 178.91 2k9a h GLN 98 N 0.31 0.00 0.01 1.25 -0.00 -1.51 0.10 115.11 115.27 2k9a h GLN 98 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.36 2k9a h GLN 98 Cb 0.20 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.61 2k9a h GLN 98 CO -0.01 0.00 -2.41 1.58 -0.00 0.00 0.00 178.83 177.99 2k9a n HIS 99 N -3.20 0.13 0.93 0.06 -0.00 -0.95 -4.22 115.22 107.96 2k9a n HIS 99 Ca 0.03 0.03 0.08 0.00 0.46 0.00 0.00 57.72 58.32 2k9a n HIS 99 Cb 0.57 -1.02 0.45 0.00 -0.12 0.00 0.00 29.99 29.88 2k9a n HIS 99 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k9a n HIS 100 N -3.20 0.00 0.27 1.57 8.25 0.15 -2.67 115.22 119.59 2k9a n HIS 100 Ca -0.42 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.17 2k9a n HIS 100 Cb 1.02 -0.08 0.66 0.00 1.12 0.00 0.00 29.99 32.71 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 -1.17 -0.98 116.57 116.11 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 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2k9a n ASP 102 N -2.45 0.49 0.01 7.07 5.75 -1.09 -4.10 116.55 122.22 2k9a n ASP 102 Ca -0.00 0.61 -0.02 0.00 -0.01 0.00 0.00 54.79 55.37 2k9a n ASP 102 Cb 0.13 -0.72 -0.01 0.00 -1.03 0.00 0.00 41.12 39.49 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k9a n GLU 103 N -2.03 0.09 -1.13 0.11 0.00 -0.42 -5.05 120.64 112.21 2k9a n GLU 103 Ca 0.03 0.04 -0.34 0.00 0.00 0.00 0.00 57.16 56.88 2k9a n GLU 103 Cb 0.23 -0.53 0.11 0.00 0.00 0.00 0.00 31.44 31.24 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2k9a n VAL 104 N -3.31 1.83 -1.50 6.31 3.14 -0.95 -4.78 118.33 119.08 2k9a n VAL 104 Ca -0.02 -0.26 -0.46 0.00 -2.96 0.00 0.00 64.34 60.63 2k9a n VAL 104 Cb 0.09 -1.02 -0.06 0.00 -1.06 0.00 0.00 33.84 31.79 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 -3.05 1.16 0.19 1.55 0.00 -1.26 -4.78 120.51 114.31 2k9a n ALA 105 Ca 0.12 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2k9a n ALA 105 Cb 0.51 -2.71 0.52 0.00 0.00 0.00 0.00 19.45 17.77 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 14.05 0.11 1.67 0.00 0.00 -1.86 -1.89 103.07 115.14 2k9a h GLY 106 Ca -0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2k9a h GLY 106 CO 1.05 0.05 -0.15 1.29 0.00 0.00 0.00 176.54 178.78 2k9a h ASP 107 N 0.11 0.39 0.00 0.19 3.04 -1.96 0.21 116.42 118.40 2k9a h ASP 107 Ca 0.03 -0.10 -0.00 0.00 -3.24 0.00 0.00 57.03 53.72 2k9a h ASP 107 Cb 0.17 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 2k9a h ASP 107 CO 0.01 0.57 -0.00 0.40 -2.04 0.00 0.00 179.24 178.17 2k9a h ILE 108 N 0.37 1.48 0.00 4.15 1.08 -1.73 -3.19 117.51 119.67 2k9a h ILE 108 Ca 0.07 -1.41 -0.05 0.00 -0.39 0.00 0.00 64.86 63.08 2k9a h ILE 108 Cb 0.49 2.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 2k9a h ILE 108 CO 0.03 0.37 -0.25 0.15 -0.69 0.00 0.00 178.15 177.75 2k9a h PHE 109 N -0.60 0.00 -1.11 1.37 3.57 -1.42 -2.71 116.94 116.03 2k9a h PHE 109 Ca -0.00 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.60 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 2k9a h PHE 109 CO 0.14 0.25 0.83 0.22 -2.23 0.00 0.00 178.31 177.51 2k9a h ASP 110 N 0.00 0.00 0.05 0.41 3.58 -0.93 0.52 116.42 120.05 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k9a h ASP 110 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k9a h ASP 110 CO 0.03 0.00 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.34 2k9a h MET 111 N 0.00 -0.07 0.00 0.28 4.05 -1.61 -3.16 114.93 114.42 2k9a h MET 111 Ca 0.53 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.93 2k9a h MET 111 Cb 2.17 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.99 2k9a h MET 111 CO -0.01 0.48 -0.09 -0.07 0.23 0.00 0.00 176.91 177.46 2k9a h LEU 112 N -0.67 0.00 -1.90 3.39 4.07 -0.73 -2.83 115.31 116.64 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.58 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 2k9a h LEU 112 CO 0.01 0.09 0.62 0.25 -1.08 0.00 0.00 178.44 178.33 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.11 0.11 115.31 122.84 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 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 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 0.05 0.13 1.05 -2.24 -1.07 -2.20 114.28 106.12 2k9a n THR 114 Ca 0.14 0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.96 2k9a n THR 114 Cb 0.88 -1.01 0.38 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.21 0.00 4.78 0.04 -1.04 -3.36 116.94 117.56 2k9a h PHE 115 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k9a h PHE 115 Cb 0.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2k9a h PHE 115 CO 0.00 0.38 -0.48 0.25 -0.60 0.00 0.00 178.31 177.86 2k9a n THR 116 N -4.23 0.00 -2.49 -1.55 -2.24 -0.93 -4.96 114.28 97.87 2k9a n THR 116 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 2k9a n THR 116 Cb 0.30 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.62 6.40 0.45 3.42 -1.08 -0.95 -4.80 116.67 118.49 2k9a s ASP 117 Ca 0.00 -1.68 0.10 0.00 -0.52 0.00 0.00 52.55 50.45 2k9a s ASP 117 Cb 0.00 -2.57 1.01 0.00 -1.46 0.00 0.00 42.92 39.90 2k9a s ASP 117 CO 0.00 -1.61 2.09 0.15 0.52 0.00 0.00 175.17 176.32 2k9a h PHE 118 N 9.28 0.33 -0.55 -5.34 3.57 -1.89 -1.74 116.94 120.60 2k9a h PHE 118 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2k9a h PHE 118 Cb 0.96 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2k9a h PHE 118 CO 1.31 0.21 0.21 -0.07 -2.23 0.00 0.00 178.31 177.74 2k9a h LEU 119 N 0.36 0.72 -0.27 0.59 -0.00 -1.97 -1.64 115.31 113.09 2k9a h LEU 119 Ca 0.10 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 57.69 2k9a h LEU 119 Cb -0.03 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.43 2k9a h LEU 119 CO -0.02 0.66 -0.88 0.00 -0.00 0.00 0.00 178.44 178.19 2k9a h ALA 120 N 1.45 0.52 0.32 1.53 0.00 -1.74 -2.39 119.26 118.95 2k9a h ALA 120 Ca 0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k9a h ALA 120 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k9a h ALA 120 CO -0.02 0.94 -0.15 0.35 0.00 0.00 0.00 179.25 180.37 2k9a h PHE 121 N 0.09 -0.40 0.16 0.00 3.57 -1.00 -1.45 116.94 117.91 2k9a h PHE 121 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 121 Cb 1.52 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.39 2k9a h PHE 121 CO 0.02 -0.07 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.74 2k9a h LYS 122 N -0.77 -0.21 -0.42 1.11 3.64 -1.42 -2.42 116.57 116.09 2k9a h LYS 122 Ca -0.04 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2k9a h LYS 122 Cb 0.51 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2k9a h LYS 122 CO 0.07 -0.05 0.30 1.49 -2.27 0.00 0.00 179.45 178.99 2k9a h GLU 123 N -0.32 0.03 -0.21 1.90 4.57 -1.51 -1.33 114.58 117.72 2k9a h GLU 123 Ca -0.02 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2k9a h GLU 123 Cb 0.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2k9a h GLU 123 CO 0.04 0.02 0.04 1.98 -1.18 0.00 0.00 179.01 179.91 2k9a h MET 124 N 0.03 0.34 -0.58 1.92 4.05 -0.77 -2.03 114.93 117.89 2k9a h MET 124 Ca 0.20 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 2k9a h MET 124 Cb 0.75 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 2k9a h MET 124 CO -0.01 0.47 -0.02 0.74 0.23 0.00 0.00 176.91 178.32 2k9a h PHE 125 N 0.14 1.13 0.16 1.39 0.04 -1.03 -1.48 116.94 117.30 2k9a h PHE 125 Ca 0.06 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 2k9a h PHE 125 Cb 0.29 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2k9a h PHE 125 CO 0.01 1.01 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.55 2k9a h LEU 126 N 0.94 -0.29 -1.30 1.54 3.38 -1.25 -0.85 115.31 117.48 2k9a h LEU 126 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2k9a h LEU 126 Cb 0.57 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2k9a h LEU 126 CO 0.03 -0.18 0.20 -0.78 0.09 0.00 0.00 178.44 177.80 2k9a h ASP 127 N -0.28 0.62 -0.75 -0.43 3.58 -1.33 -2.26 116.42 115.57 2k9a h ASP 127 Ca -0.01 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2k9a h ASP 127 Cb 0.24 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2k9a h ASP 127 CO -0.00 0.55 0.43 0.22 -2.88 0.00 0.00 179.24 177.57 2k9a h TYR 128 N 0.68 1.02 -0.65 0.28 3.20 -0.72 -2.48 116.97 118.30 2k9a h TYR 128 Ca 0.17 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2k9a h TYR 128 Cb 0.12 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2k9a h TYR 128 CO 0.01 0.70 0.30 -0.09 -1.64 0.00 0.00 178.16 177.43 2k9a h ARG 129 N 1.04 0.95 -0.86 1.82 2.43 -0.60 -1.56 114.38 117.60 2k9a h ARG 129 Ca 0.27 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 2k9a h ARG 129 Cb 0.00 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.32 2k9a h ARG 129 CO -0.05 0.77 0.51 0.00 -1.51 0.00 0.00 179.97 179.69 2k9a h ALA 130 N 1.13 1.22 0.00 2.80 0.00 -1.09 -0.45 119.26 122.87 2k9a h ALA 130 Ca 0.22 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2k9a h ALA 130 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k9a h ALA 130 CO -0.02 0.18 -0.58 1.49 0.00 0.00 0.00 179.25 180.31 2k9a h GLU 131 N 0.88 0.00 0.00 0.00 4.81 -1.10 -2.72 114.58 116.45 2k9a h GLU 131 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2k9a h GLU 131 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 131 CO -0.22 0.58 0.00 1.63 -0.73 0.00 0.00 179.01 180.26 2k9a n LYS 132 N -3.78 0.02 0.07 1.92 4.76 -0.22 -2.40 118.16 118.52 2k9a n LYS 132 Ca -0.01 0.24 0.10 0.00 -2.87 0.00 0.00 58.31 55.77 2k9a n LYS 132 Cb 0.59 -1.53 0.40 0.00 -1.84 0.00 0.00 35.03 32.66 2k9a n LYS 132 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k9a n GLU 133 N -1.57 0.10 0.00 1.97 -0.58 -0.94 -4.86 120.64 114.77 2k9a n GLU 133 Ca 0.04 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 2k9a n GLU 133 Cb 0.19 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k9a n GLY 134 N 0.04 2.44 1.99 0.62 0.00 -1.01 -4.95 105.19 104.32 2k9a n GLY 134 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k9a n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k9a n ARG 135 N 0.00 0.00 0.00 1.61 0.63 -1.20 -5.08 116.66 112.62 2k9a n ARG 135 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k9a n ARG 135 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53