#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 1.26 0.00 3.17 1.01 -1.26 -5.00 116.67 115.85 2k9a s ASP 2 Ca 0.00 -0.15 0.27 0.00 0.71 0.00 0.00 52.55 53.38 2k9a s ASP 2 Cb 0.00 -0.52 0.95 0.00 1.01 0.00 0.00 42.92 44.36 2k9a s ASP 2 CO 0.00 -0.08 1.68 0.00 0.21 0.00 0.00 175.17 176.98 2k9a n ALA 3 N 4.33 2.86 0.87 5.23 0.00 -1.26 -3.62 120.51 128.92 2k9a n ALA 3 Ca -0.20 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 52.95 2k9a n ALA 3 Cb 0.51 -1.18 0.30 0.00 0.00 0.00 0.00 19.45 19.07 2k9a n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 4 N -0.44 2.26 0.11 0.00 4.77 -1.26 -3.96 117.00 118.47 2k9a n LEU 4 Ca 0.15 -0.99 -0.01 0.00 -0.03 0.00 0.00 56.01 55.13 2k9a n LEU 4 Cb 0.33 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2k9a n LEU 4 CO 0.22 0.50 0.37 -0.08 -1.33 0.00 0.00 177.39 177.07 2k9a h GLU 5 N 2.86 0.00 0.00 3.23 4.57 -2.01 -3.47 114.58 119.76 2k9a h GLU 5 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k9a h GLU 5 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k9a h GLU 5 CO 0.00 0.69 0.00 0.41 -1.18 0.00 0.00 179.01 178.93 2k9a n GLY 6 N 1.11 1.06 3.44 1.92 0.00 -1.25 -5.12 105.19 106.35 2k9a n GLY 6 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.55 0.00 1.61 -1.05 -1.26 -4.85 118.70 116.70 2k9a s GLU 7 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 2k9a s GLU 7 Cb 0.00 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 2k9a s GLU 7 CO 0.00 0.17 0.00 0.45 0.95 0.00 0.00 175.26 176.83 2k9a n SER 8 N 3.72 0.00 -4.56 0.83 2.88 -1.26 -4.65 113.62 110.58 2k9a n SER 8 Ca -0.18 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.00 2k9a n SER 8 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 2k9a n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 9 N 0.00 3.18 -1.12 0.66 0.08 -1.26 -4.96 117.98 114.56 2k9a s PHE 9 Ca 0.00 -0.10 0.25 0.00 0.12 0.00 0.00 56.93 57.20 2k9a s PHE 9 Cb 0.00 -2.19 0.46 0.00 -0.57 0.00 0.00 43.02 40.72 2k9a s PHE 9 CO 0.00 -0.09 1.38 0.00 -0.10 0.00 0.00 175.22 176.41 2k9a n ALA 10 N 4.32 3.61 -1.43 5.36 0.00 -1.26 -4.93 120.51 126.18 2k9a n ALA 10 Ca -0.16 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 2k9a n ALA 10 Cb 0.52 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 2k9a n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 11 N -1.36 -0.94 -4.01 0.00 4.77 -1.26 -4.93 117.00 109.26 2k9a n LEU 11 Ca 0.06 0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 2k9a n LEU 11 Cb 0.34 -2.63 -0.15 0.00 -2.33 0.00 0.00 43.42 38.65 2k9a n LEU 11 CO 0.34 -1.00 -0.44 -0.44 -1.33 0.00 0.00 177.39 174.53 2k9a s SER 12 N -2.48 4.24 0.08 -1.43 0.01 -1.26 -4.99 113.70 107.87 2k9a s SER 12 Ca 0.00 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2k9a s SER 12 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2k9a s SER 12 CO 0.00 -0.22 0.00 0.33 0.41 0.00 0.00 173.24 173.76 2k9a n PHE 13 N 4.52 0.00 -2.43 2.43 7.35 -1.26 -4.88 117.46 123.19 2k9a n PHE 13 Ca -0.12 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.55 2k9a n PHE 13 Cb 0.43 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.24 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k9a n SER 14 N 3.26 -6.47 0.00 -2.13 2.88 -1.26 -5.02 113.62 104.88 2k9a n SER 14 Ca 0.00 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 2k9a n SER 14 Cb 0.00 -5.00 0.00 0.00 -0.75 0.00 0.00 64.21 58.46 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k9a n SER 15 N 1.85 0.75 0.04 -3.46 3.41 -1.26 -4.76 113.62 110.19 2k9a n SER 15 Ca -0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.29 2k9a n SER 15 Cb 0.19 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 0.00 0.16 -0.34 7.33 0.00 -1.96 -1.45 119.26 123.00 2k9a h ALA 16 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k9a h ALA 16 Cb 0.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k9a h ALA 16 CO 0.00 0.70 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 2k9a n SER 17 N -3.85 3.05 -4.67 0.00 3.41 -1.26 -4.62 113.62 105.68 2k9a n SER 17 Ca -0.10 -2.33 -0.32 0.00 -0.26 0.00 0.00 58.87 55.86 2k9a n SER 17 Cb 0.87 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.61 3.95 0.57 4.04 1.01 -1.19 -5.02 116.67 119.41 2k9a s ASP 18 Ca 0.28 -1.66 0.33 0.00 0.71 0.00 0.00 52.55 52.21 2k9a s ASP 18 Cb 0.19 0.51 1.72 0.00 1.01 0.00 0.00 42.92 46.36 2k9a s ASP 18 CO 0.12 -0.86 2.16 0.00 0.21 0.00 0.00 175.17 176.79 2k9a h ALA 19 N 1.41 1.22 -0.35 5.23 0.00 -1.90 -2.92 119.26 121.94 2k9a h ALA 19 Ca -0.43 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.48 2k9a h ALA 19 Cb 1.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2k9a h ALA 19 CO 0.72 0.07 0.09 1.49 0.00 0.00 0.00 179.25 181.62 2k9a h GLU 20 N 0.00 0.21 -0.60 0.00 4.57 -1.94 -0.18 114.58 116.63 2k9a h GLU 20 Ca -0.00 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2k9a h GLU 20 Cb 0.23 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2k9a h GLU 20 CO 0.01 0.14 0.20 0.35 -1.18 0.00 0.00 179.01 178.52 2k9a h PHE 21 N 0.22 0.93 -0.32 0.92 3.04 -1.06 -2.36 116.94 118.32 2k9a h PHE 21 Ca 0.16 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 2k9a h PHE 21 Cb 0.17 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 2k9a h PHE 21 CO -0.17 0.74 -0.16 0.22 -2.02 0.00 0.00 178.31 176.92 2k9a h ASP 22 N 0.88 0.55 0.33 0.41 3.58 -1.43 -2.52 116.42 118.22 2k9a h ASP 22 Ca 0.20 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2k9a h ASP 22 Cb 0.24 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k9a h ASP 22 CO -0.01 0.73 -0.16 0.00 -2.88 0.00 0.00 179.24 176.93 2k9a h ALA 23 N 1.32 -0.44 -0.48 -0.78 0.00 -0.56 -2.63 119.26 115.69 2k9a h ALA 23 Ca 0.09 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k9a h ALA 23 Cb 0.57 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2k9a h ALA 23 CO 0.04 -0.61 0.16 -0.24 0.00 0.00 0.00 179.25 178.60 2k9a h VAL 24 N -0.72 0.83 -0.79 0.00 3.04 -1.44 -1.47 116.25 115.70 2k9a h VAL 24 Ca -0.04 -0.11 0.13 0.00 -1.01 0.00 0.00 66.70 65.66 2k9a h VAL 24 Cb 0.49 0.47 -0.09 0.00 -2.01 0.00 0.00 31.29 30.16 2k9a h VAL 24 CO 0.07 0.06 0.38 0.58 -1.01 0.00 0.00 177.57 177.65 2k9a h VAL 25 N 0.33 0.75 -0.59 1.51 2.07 -1.45 0.89 116.25 119.76 2k9a h VAL 25 Ca 0.23 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2k9a h VAL 25 Cb 0.24 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2k9a h VAL 25 CO -0.24 0.11 0.34 1.23 0.02 0.00 0.00 177.57 179.03 2k9a h GLY 26 N 0.58 0.85 0.63 2.17 0.00 -0.89 -1.87 103.07 104.53 2k9a h GLY 26 Ca 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2k9a h GLY 26 CO -0.34 0.34 -0.10 -0.97 0.00 0.00 0.00 176.54 175.47 2k9a h TYR 27 N 0.81 -0.26 -0.48 5.60 0.05 -0.41 -2.54 116.97 119.74 2k9a h TYR 27 Ca 0.21 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.08 2k9a h TYR 27 Cb -0.01 0.08 -0.08 0.00 1.01 0.00 0.00 36.73 37.73 2k9a h TYR 27 CO 0.00 0.09 0.02 -0.07 -1.05 0.00 0.00 178.16 177.16 2k9a h LEU 28 N -0.65 -0.17 -0.78 3.88 4.07 -1.08 -0.88 115.31 119.70 2k9a h LEU 28 Ca -0.03 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.12 2k9a h LEU 28 Cb 0.46 0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.33 2k9a h LEU 28 CO 0.05 -0.05 0.45 -0.33 -1.08 0.00 0.00 178.44 177.47 2k9a h GLU 29 N 0.13 0.76 -0.18 1.13 5.08 -1.36 0.12 114.58 120.26 2k9a h GLU 29 Ca 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2k9a h GLU 29 Cb 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k9a h GLU 29 CO -0.39 0.50 0.03 0.22 -1.00 0.00 0.00 179.01 178.37 2k9a h ASP 30 N 0.78 0.23 0.32 1.42 1.82 -0.75 -2.24 116.42 118.01 2k9a h ASP 30 Ca 0.37 -0.02 -0.27 0.00 -0.39 0.00 0.00 57.03 56.71 2k9a h ASP 30 Cb 0.29 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.25 2k9a h ASP 30 CO -0.22 0.26 -1.15 0.40 -1.61 0.00 0.00 179.24 176.92 2k9a h ILE 31 N 0.26 1.37 -0.60 2.25 2.04 -0.09 -3.13 117.51 119.61 2k9a h ILE 31 Ca 0.06 -2.61 -0.03 0.00 1.00 0.00 0.00 64.86 63.29 2k9a h ILE 31 Cb 0.13 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2k9a h ILE 31 CO -0.00 0.78 0.26 0.40 0.00 0.00 0.00 178.15 179.59 2k9a h ILE 32 N 0.21 1.21 -0.41 -0.67 2.04 -0.32 -1.63 117.51 117.94 2k9a h ILE 32 Ca -0.14 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2k9a h ILE 32 Cb 1.82 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2k9a h ILE 32 CO 0.21 0.25 0.00 0.23 0.00 0.00 0.00 178.15 178.84 2k9a n MET 33 N -4.34 2.82 -3.07 2.37 2.81 -0.90 -4.61 117.12 112.20 2k9a n MET 33 Ca 0.05 -1.83 -0.39 0.00 -1.81 0.00 0.00 57.70 53.71 2k9a n MET 33 Cb 0.15 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.72 7.15 0.21 7.83 2.15 -0.61 -4.97 116.67 127.71 2k9a s ASP 34 Ca 0.33 1.37 -0.09 0.00 0.43 0.00 0.00 52.55 54.59 2k9a s ASP 34 Cb 0.22 -2.43 0.24 0.00 -0.30 0.00 0.00 42.92 40.64 2k9a s ASP 34 CO 0.15 0.09 1.82 -0.78 -0.17 0.00 0.00 175.17 176.28 2k9a h ASP 35 N 5.39 0.63 0.13 -0.34 3.58 -1.90 -0.95 116.42 122.96 2k9a h ASP 35 Ca -0.45 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 2k9a h ASP 35 Cb 1.20 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 2k9a h ASP 35 CO 0.69 0.42 -0.12 -0.08 -2.88 0.00 0.00 179.24 177.27 2k9a h GLU 36 N 0.77 0.00 0.02 0.28 4.57 -1.93 -2.14 114.58 116.14 2k9a h GLU 36 Ca 0.30 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 2k9a h GLU 36 Cb 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2k9a h GLU 36 CO -0.16 0.12 -0.33 0.35 -1.18 0.00 0.00 179.01 177.80 2k9a h PHE 37 N 0.00 0.30 -0.82 0.92 3.57 -1.46 -2.58 116.94 116.87 2k9a h PHE 37 Ca -0.00 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.38 2k9a h PHE 37 Cb 0.22 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 2k9a h PHE 37 CO 0.00 1.02 0.54 1.96 -2.23 0.00 0.00 178.31 179.59 2k9a h GLN 38 N -0.49 0.88 -0.14 1.11 4.20 -1.02 0.19 115.11 119.83 2k9a h GLN 38 Ca -0.05 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2k9a h GLN 38 Cb 1.12 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2k9a h GLN 38 CO 0.06 0.58 -0.12 1.25 -0.67 0.00 0.00 178.83 179.94 2k9a h LEU 39 N 0.91 0.35 -1.40 1.46 5.85 -1.46 -2.53 115.31 118.49 2k9a h LEU 39 Ca 0.35 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2k9a h LEU 39 Cb 0.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2k9a h LEU 39 CO -0.12 0.74 0.01 0.25 -0.34 0.00 0.00 178.44 178.98 2k9a h LEU 40 N -0.03 0.37 -0.21 2.25 5.85 -0.99 0.14 115.31 122.68 2k9a h LEU 40 Ca 0.03 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 2k9a h LEU 40 Cb 0.64 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2k9a h LEU 40 CO 0.03 0.42 -0.55 -0.61 -0.34 0.00 0.00 178.44 177.40 2k9a h GLN 41 N 0.39 0.75 0.04 1.25 -0.00 -0.94 -2.42 115.11 114.18 2k9a h GLN 41 Ca 0.09 -0.52 -0.23 0.00 -0.00 0.00 0.00 58.65 57.99 2k9a h GLN 41 Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 2k9a h GLN 41 CO 0.01 1.14 -1.04 -0.09 0.00 0.00 0.00 178.83 178.84 2k9a h ARG 42 N 0.47 0.13 -0.36 1.69 2.43 -1.24 -2.47 114.38 115.03 2k9a h ARG 42 Ca -0.01 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.83 2k9a h ARG 42 Cb 1.16 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2k9a h ARG 42 CO 0.12 1.05 -0.32 -0.91 -1.51 0.00 0.00 179.97 178.40 2k9a h ASN 43 N 0.05 0.84 0.32 -3.80 4.21 -0.75 -1.95 115.58 114.49 2k9a h ASN 43 Ca -0.06 -0.35 -0.30 0.00 1.21 0.00 0.00 56.30 56.81 2k9a h ASN 43 Cb 1.77 -0.23 0.02 0.00 -1.12 0.00 0.00 38.32 38.76 2k9a h ASN 43 CO 0.15 1.09 -1.28 2.19 -1.29 0.00 0.00 177.43 178.29 2k9a h PHE 44 N 0.67 0.83 0.00 1.19 -0.00 -1.51 -3.25 116.94 114.88 2k9a h PHE 44 Ca 0.07 -0.56 -0.04 0.00 -0.00 0.00 0.00 57.97 57.44 2k9a h PHE 44 Cb 0.87 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 36.76 2k9a h PHE 44 CO 0.05 1.42 -0.21 0.00 -0.00 0.00 0.00 178.31 179.56 2k9a h MET 45 N 0.19 0.00 -0.09 6.09 -0.00 -1.43 -2.40 114.93 117.29 2k9a h MET 45 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.52 2k9a h MET 45 Cb 1.97 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.56 2k9a h MET 45 CO 0.23 0.21 0.06 0.22 -0.00 0.00 0.00 176.91 177.63 2k9a h ASP 46 N 0.00 0.07 0.06 -0.10 3.58 -1.38 -0.74 116.42 117.92 2k9a h ASP 46 Ca -0.00 -0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2k9a h ASP 46 Cb 0.51 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 2k9a h ASP 46 CO 0.03 0.05 -2.02 0.29 -2.88 0.00 0.00 179.24 174.72 2k9a n LYS 47 N -4.52 0.68 0.03 0.28 4.76 -0.95 -4.24 118.16 114.19 2k9a n LYS 47 Ca -0.01 0.30 -0.12 0.00 -2.87 0.00 0.00 58.31 55.61 2k9a n LYS 47 Cb 0.11 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.58 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 -0.29 0.03 0.00 2.13 -1.99 -1.33 -1.88 116.97 113.63 2k9a h TYR 48 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 1.81 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.53 2k9a h TYR 48 CO 0.05 0.03 0.13 0.10 -0.00 0.00 0.00 178.16 178.48 2k9a h TYR 49 N 0.01 0.00 0.03 4.88 -0.00 -1.35 -0.31 116.97 120.23 2k9a h TYR 49 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.66 2k9a h TYR 49 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.74 2k9a h TYR 49 CO -0.07 0.00 -0.37 -0.07 -0.00 0.00 0.00 178.16 177.64 2k9a h LEU 50 N 0.00 0.09 -0.76 0.10 3.38 -1.53 -3.35 115.31 113.24 2k9a h LEU 50 Ca 0.00 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 2k9a h LEU 50 Cb 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2k9a h LEU 50 CO 0.00 1.16 -0.01 -0.33 0.09 0.00 0.00 178.44 179.35 2k9a h GLU 51 N -0.87 0.94 -5.94 1.13 4.39 -0.96 -3.37 114.58 109.90 2k9a h GLU 51 Ca -0.09 -0.28 -0.52 0.00 0.34 0.00 0.00 59.36 58.81 2k9a h GLU 51 Cb 1.18 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.65 2k9a h GLU 51 CO -0.00 0.93 1.41 -0.06 -1.16 0.00 0.00 179.01 180.13 2k9a s PHE 52 N -4.99 2.37 -0.05 4.33 0.40 -0.23 -4.96 117.98 114.84 2k9a s PHE 52 Ca -0.11 -0.55 -0.08 0.00 -0.60 0.00 0.00 56.93 55.60 2k9a s PHE 52 Cb 0.14 -4.51 -0.04 0.00 0.51 0.00 0.00 43.02 39.11 2k9a s PHE 52 CO 0.84 -1.82 0.22 -1.21 0.70 0.00 0.00 175.22 173.94 2k9a s GLU 53 N 5.42 3.55 -0.65 0.44 2.02 -1.26 -4.83 118.70 123.40 2k9a s GLU 53 Ca 0.54 -0.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.22 2k9a s GLU 53 Cb -0.01 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 31.00 2k9a s GLU 53 CO -0.03 0.72 2.19 0.16 0.02 0.00 0.00 175.26 178.32 2k9a s ASP 54 N -1.32 4.65 0.19 -0.19 -4.77 -1.26 -4.90 116.67 109.08 2k9a s ASP 54 Ca 0.21 0.40 -0.01 0.00 -3.30 0.00 0.00 52.55 49.86 2k9a s ASP 54 Cb -0.13 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 2k9a s ASP 54 CO 0.10 -2.93 0.11 0.42 0.70 0.00 0.00 175.17 173.57 2k9a s THR 55 N 11.58 0.09 -0.19 2.11 -4.23 -1.26 -5.07 115.64 118.67 2k9a s THR 55 Ca 0.84 -1.98 0.14 0.00 -1.18 0.00 0.00 61.69 59.51 2k9a s THR 55 Cb -0.13 -2.41 -0.22 0.00 1.34 0.00 0.00 72.50 71.08 2k9a s THR 55 CO 0.17 -0.11 0.02 1.21 -0.54 0.00 0.00 174.62 175.37 2k9a n GLU 56 N -0.25 0.93 -2.48 3.99 2.13 -1.26 -4.94 120.64 118.75 2k9a n GLU 56 Ca 0.00 0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 2k9a n GLU 56 Cb 0.65 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.86 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k9a s GLU 57 N -2.45 4.47 0.34 5.31 2.02 -1.26 -5.02 118.70 122.11 2k9a s GLU 57 Ca -0.12 1.70 -0.24 0.00 0.02 0.00 0.00 54.97 56.32 2k9a s GLU 57 Cb 0.06 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.83 2k9a s GLU 57 CO 0.72 -0.19 0.93 -0.80 0.02 0.00 0.00 175.26 175.94 2k9a s ASN 58 N 0.94 7.24 0.17 -0.19 -0.87 -1.26 -5.07 114.94 115.90 2k9a s ASN 58 Ca 0.57 1.77 0.10 0.00 -1.57 0.00 0.00 52.86 53.72 2k9a s ASN 58 Cb -0.28 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.35 2k9a s ASN 58 CO 0.29 -0.12 -0.21 -0.54 -2.57 0.00 0.00 177.10 173.96 2k9a s LYS 59 N -2.27 1.37 0.00 -0.60 1.02 -1.26 -5.02 119.74 112.98 2k9a s LYS 59 Ca 0.52 -1.44 0.29 0.00 0.02 0.00 0.00 55.97 55.36 2k9a s LYS 59 Cb -0.17 -1.57 1.21 0.00 -0.52 0.00 0.00 37.83 36.78 2k9a s LYS 59 CO 0.21 0.33 1.91 -0.11 -0.92 0.00 0.00 175.35 176.78 2k9a n LEU 60 N 0.35 0.02 0.16 3.17 7.94 -1.26 -3.31 117.00 124.08 2k9a n LEU 60 Ca -0.13 0.48 0.13 0.00 -1.11 0.00 0.00 56.01 55.38 2k9a n LEU 60 Cb 0.56 -0.49 0.52 0.00 0.53 0.00 0.00 43.42 44.55 2k9a n LEU 60 CO 0.29 0.01 0.89 -0.29 -1.11 0.00 0.00 177.39 177.17 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.02 -2.69 117.51 120.85 2k9a h ILE 61 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 2k9a h ILE 61 Cb 0.50 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2k9a h ILE 61 CO 0.00 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.96 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 0.05 -1.99 -2.83 116.97 114.48 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 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2k9a h TYR 62 CO 0.00 0.00 -0.04 1.15 -1.05 0.00 0.00 178.16 178.22 2k9a h THR 63 N 0.00 1.10 -0.56 -2.88 2.02 -1.73 -2.56 112.91 108.29 2k9a h THR 63 Ca 0.00 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 2k9a h THR 63 Cb 0.52 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2k9a h THR 63 CO 0.00 0.31 0.15 1.55 0.37 0.00 0.00 175.52 177.90 2k9a h PRO 64 N -0.84 0.89 -0.53 6.66 0.13 -1.72 -2.58 132.00 134.01 2k9a h PRO 64 Ca -0.01 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2k9a h PRO 64 Cb 0.59 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.02 0.82 0.34 0.82 -0.23 0.00 0.00 178.00 179.77 2k9a h ILE 65 N 0.79 1.14 -0.96 -3.56 2.04 -1.63 -2.26 117.51 113.07 2k9a h ILE 65 Ca 0.18 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2k9a h ILE 65 Cb 0.32 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2k9a h ILE 65 CO -0.00 0.14 0.63 0.15 0.00 0.00 0.00 178.15 179.07 2k9a h PHE 66 N 0.72 1.17 -0.57 1.37 3.57 -1.32 -1.40 116.94 120.48 2k9a h PHE 66 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k9a h PHE 66 Cb -0.06 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.26 2k9a h PHE 66 CO -0.03 0.67 0.30 -0.91 -2.23 0.00 0.00 178.31 176.11 2k9a h ASN 67 N 1.21 0.71 0.04 0.41 2.35 -1.02 -1.85 115.58 117.43 2k9a h ASN 67 Ca 0.39 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.99 2k9a h ASN 67 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2k9a h ASN 67 CO -0.13 0.58 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.86 2k9a h GLU 68 N 0.80 0.38 -0.26 0.81 4.57 -0.75 -1.78 114.58 118.34 2k9a h GLU 68 Ca 0.20 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2k9a h GLU 68 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2k9a h GLU 68 CO -0.03 0.64 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.50 2k9a h TYR 69 N 0.33 0.52 0.00 0.92 3.20 -0.81 0.26 116.97 121.39 2k9a h TYR 69 Ca 0.05 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2k9a h TYR 69 Cb 0.68 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2k9a h TYR 69 CO 0.02 0.65 -0.43 0.82 -1.64 0.00 0.00 178.16 177.57 2k9a h ILE 70 N 0.25 1.18 0.00 1.81 1.08 -1.36 -0.21 117.51 120.27 2k9a h ILE 70 Ca 0.07 -1.53 -0.22 0.00 -0.39 0.00 0.00 64.86 62.79 2k9a h ILE 70 Cb 0.45 1.86 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 2k9a h ILE 70 CO 0.02 0.42 -1.29 -1.28 -0.69 0.00 0.00 178.15 175.33 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.17 -2.22 113.55 112.75 2k9a h SER 71 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9a h SER 71 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2k9a h SER 71 CO 0.06 0.84 -0.32 -0.11 -0.53 0.00 0.00 176.83 176.77 2k9a n LEU 72 N -3.12 1.05 0.10 2.23 -0.00 0.89 -4.18 117.00 113.97 2k9a n LEU 72 Ca -0.08 0.45 -0.05 0.00 -0.00 0.00 0.00 56.01 56.33 2k9a n LEU 72 Cb 0.93 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.62 2k9a n LEU 72 CO 0.45 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 178.09 2k9a h VAL 73 N -0.58 0.00 -0.93 1.96 2.07 -1.23 -2.31 116.25 115.23 2k9a h VAL 73 Ca 0.00 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.07 2k9a h VAL 73 Cb 0.32 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 2k9a h VAL 73 CO 0.00 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.10 2k9a h GLU 74 N -0.92 0.72 -0.11 1.57 4.57 -1.55 -0.40 114.58 118.45 2k9a h GLU 74 Ca -0.03 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 2k9a h GLU 74 Cb 0.25 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2k9a h GLU 74 CO 0.05 0.47 -0.67 -0.22 -1.18 0.00 0.00 179.01 177.47 2k9a h LYS 75 N 0.74 0.44 0.60 1.92 3.11 -1.51 -2.62 116.57 119.24 2k9a h LYS 75 Ca 0.48 -0.33 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 2k9a h LYS 75 Cb 0.73 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2k9a h LYS 75 CO -0.24 0.95 -0.32 -0.92 -2.81 0.00 0.00 179.45 176.11 2k9a h TYR 76 N 0.31 -0.84 -0.69 1.91 3.20 -0.48 -1.59 116.97 118.80 2k9a h TYR 76 Ca -0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2k9a h TYR 76 Cb 1.23 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 2k9a h TYR 76 CO 0.04 -0.50 0.36 0.82 -1.64 0.00 0.00 178.16 177.24 2k9a h ILE 77 N -0.85 1.22 -0.25 1.81 2.04 -1.54 -2.70 117.51 117.24 2k9a h ILE 77 Ca -0.08 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.25 2k9a h ILE 77 Cb 0.67 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2k9a h ILE 77 CO 0.11 0.25 -0.01 -0.08 0.00 0.00 0.00 178.15 178.42 2k9a h GLU 78 N 0.95 0.06 -0.61 2.37 4.81 -1.36 -2.32 114.58 118.48 2k9a h GLU 78 Ca 0.24 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2k9a h GLU 78 Cb 0.07 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2k9a h GLU 78 CO -0.04 0.04 0.40 0.93 -0.73 0.00 0.00 179.01 179.61 2k9a h GLU 79 N 0.06 0.81 -0.83 1.92 4.39 -1.14 -1.32 114.58 118.47 2k9a h GLU 79 Ca 0.12 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 2k9a h GLU 79 Cb 0.16 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 2k9a h GLU 79 CO -0.21 0.55 0.55 1.96 -1.16 0.00 0.00 179.01 180.70 2k9a h GLN 80 N 0.83 0.95 0.00 2.33 1.08 -1.14 -1.48 115.11 117.68 2k9a h GLN 80 Ca 0.22 -0.06 -0.22 0.00 -1.45 0.00 0.00 58.65 57.14 2k9a h GLN 80 Cb -0.08 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.14 2k9a h GLN 80 CO -0.05 0.63 -0.94 -0.07 -0.95 0.00 0.00 178.83 177.45 2k9a h LEU 81 N 0.98 0.50 -1.29 1.46 3.38 -1.02 -3.22 115.31 116.10 2k9a h LEU 81 Ca 0.34 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2k9a h LEU 81 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k9a h LEU 81 CO -0.11 1.21 -0.35 -0.07 0.09 0.00 0.00 178.44 179.21 2k9a h LEU 82 N 0.21 0.00 -2.38 1.67 3.38 -0.58 0.02 115.31 117.64 2k9a h LEU 82 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k9a h LEU 82 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2k9a h LEU 82 CO 0.16 0.35 0.06 1.56 0.09 0.00 0.00 178.44 180.65 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.31 -2.55 115.11 113.46 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k9a h GLN 83 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2k9a h GLN 83 CO 0.05 0.00 -0.91 0.54 -0.95 0.00 0.00 178.83 177.56 2k9a n ARG 84 N -2.80 0.68 -3.61 1.46 1.74 -1.00 -4.93 116.66 108.21 2k9a n ARG 84 Ca -0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.11 -0.95 -0.13 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.81 0.87 -1.71 0.55 1.01 -0.04 -4.96 121.20 115.10 2k9a s ILE 85 Ca 0.00 -2.20 0.18 0.00 0.00 0.00 0.00 60.65 58.63 2k9a s ILE 85 Cb 0.00 -1.62 0.41 0.00 0.01 0.00 0.00 42.46 41.26 2k9a s ILE 85 CO 0.00 -0.94 1.50 -0.81 0.00 0.00 0.00 174.94 174.70 2k9a n PRO 86 N 3.75 0.41 -0.25 2.79 -0.04 -1.20 -2.12 135.00 138.34 2k9a n PRO 86 Ca 0.10 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2k9a n PRO 86 Cb 0.36 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.49 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -1.14 2.68 -2.75 0.54 1.02 -1.26 -5.02 120.64 114.71 2k9a n GLU 87 Ca 0.11 -2.39 -0.39 0.00 -0.02 0.00 0.00 57.16 54.47 2k9a n GLU 87 Cb 0.10 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -2.04 3.87 -0.32 -0.32 5.36 -0.90 -5.04 117.98 118.59 2k9a s PHE 88 Ca 0.30 1.87 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 2k9a s PHE 88 Cb 0.22 -2.97 0.10 0.00 -0.34 0.00 0.00 43.02 40.03 2k9a s PHE 88 CO 0.09 0.33 0.06 -0.80 -1.46 0.00 0.00 175.22 173.45 2k9a s ASN 89 N -1.32 4.42 0.55 6.13 -0.87 -1.26 -4.97 114.94 117.62 2k9a s ASN 89 Ca 0.44 -1.90 0.21 0.00 -1.57 0.00 0.00 52.86 50.05 2k9a s ASN 89 Cb -0.24 -1.29 1.49 0.00 -0.02 0.00 0.00 41.25 41.19 2k9a s ASN 89 CO 0.30 -0.39 2.19 -0.03 -2.57 0.00 0.00 177.10 176.60 2k9a h MET 90 N 7.82 0.00 0.57 -0.60 4.05 -1.98 -0.42 114.93 124.38 2k9a h MET 90 Ca -0.09 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 2k9a h MET 90 Cb 1.02 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.83 2k9a h MET 90 CO 0.49 0.00 -0.28 0.00 0.23 0.00 0.00 176.91 177.36 2k9a h ALA 91 N 2.00 -0.77 0.00 0.39 0.00 -2.00 -2.12 119.26 116.75 2k9a h ALA 91 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 91 Cb 0.01 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k9a h ALA 91 CO -0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 179.25 178.18 2k9a h ALA 92 N -0.80 1.17 -0.05 0.00 0.00 -1.95 -2.74 119.26 114.89 2k9a h ALA 92 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2k9a h ALA 92 Cb 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k9a h ALA 92 CO 0.13 0.34 0.01 0.35 0.00 0.00 0.00 179.25 180.08 2k9a h PHE 93 N 0.00 0.09 -0.53 0.00 3.57 -1.03 -1.98 116.94 117.07 2k9a h PHE 93 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 93 Cb 0.65 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2k9a h PHE 93 CO 0.00 0.32 0.08 1.79 -2.23 0.00 0.00 178.31 178.26 2k9a h THR 94 N -0.16 1.25 -0.59 4.41 1.35 -1.30 -0.63 112.91 117.24 2k9a h THR 94 Ca 0.02 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2k9a h THR 94 Cb 0.27 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 2k9a h THR 94 CO 0.00 0.35 0.38 0.74 -0.25 0.00 0.00 175.52 176.74 2k9a h THR 95 N 0.77 1.11 -0.00 6.82 2.02 -1.46 -1.42 112.91 120.74 2k9a h THR 95 Ca 0.16 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 2k9a h THR 95 Cb 0.42 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2k9a h THR 95 CO 0.01 0.14 -0.72 0.74 0.37 0.00 0.00 175.52 176.06 2k9a h THR 96 N 0.76 1.50 -0.42 3.16 2.02 -1.26 -3.18 112.91 115.50 2k9a h THR 96 Ca 0.23 -2.42 -0.10 0.00 0.77 0.00 0.00 66.41 64.89 2k9a h THR 96 Cb -0.03 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2k9a h THR 96 CO -0.08 0.69 -0.14 0.25 0.37 0.00 0.00 175.52 176.62 2k9a h LEU 97 N 0.02 0.76 -1.24 2.58 6.46 -0.57 -1.72 115.31 121.59 2k9a h LEU 97 Ca -0.01 -0.24 0.22 0.00 -0.12 0.00 0.00 57.88 57.73 2k9a h LEU 97 Cb 1.27 -0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.90 2k9a h LEU 97 CO 0.10 0.91 0.63 1.56 -0.62 0.00 0.00 178.44 181.01 2k9a h GLN 98 N 0.69 0.54 0.08 1.25 4.20 -1.25 0.12 115.11 120.73 2k9a h GLN 98 Ca 0.11 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.46 2k9a h GLN 98 Cb 0.62 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2k9a h GLN 98 CO 0.04 0.35 -1.80 0.45 -0.67 0.00 0.00 178.83 177.20 2k9a h HIS 99 N 0.55 0.32 0.00 2.96 3.86 -1.67 -3.31 115.15 117.86 2k9a h HIS 99 Ca 0.56 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2k9a h HIS 99 Cb 1.17 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2k9a h HIS 99 CO -0.00 1.44 0.00 1.58 0.86 0.00 0.00 177.93 181.81 2k9a n HIS 100 N -3.33 0.00 0.32 2.45 -0.00 -0.30 -2.65 115.22 111.71 2k9a n HIS 100 Ca -0.24 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.66 2k9a n HIS 100 Cb 1.05 -0.27 0.96 0.00 -0.00 0.00 0.00 29.99 31.73 2k9a n HIS 100 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 1.57 -1.14 0.57 116.57 119.14 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k9a h LYS 101 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 2k9a n ASP 102 N -2.88 0.00 0.09 0.86 5.68 -1.08 -4.00 116.55 115.21 2k9a n ASP 102 Ca -0.02 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 2k9a n ASP 102 Cb 0.22 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2k9a n GLU 103 N -1.14 0.00 -0.76 0.11 4.07 0.17 -5.09 120.64 118.00 2k9a n GLU 103 Ca 0.10 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.88 2k9a n GLU 103 Cb 0.09 -0.31 0.16 0.00 -0.06 0.00 0.00 31.44 31.31 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k9a n VAL 104 N -3.49 0.38 -1.64 6.31 3.14 -1.04 -4.83 118.33 117.16 2k9a n VAL 104 Ca 0.00 -0.05 -0.41 0.00 -2.96 0.00 0.00 64.34 60.92 2k9a n VAL 104 Cb 0.00 -1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 31.74 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a s ALA 105 N -2.53 2.45 0.43 1.55 0.00 -1.26 -4.82 121.76 117.59 2k9a s ALA 105 Ca 0.68 0.51 0.13 0.00 0.00 0.00 0.00 51.96 53.27 2k9a s ALA 105 Cb -0.24 -4.14 0.94 0.00 0.00 0.00 0.00 23.12 19.68 2k9a s ALA 105 CO 0.57 -3.22 1.97 0.78 0.00 0.00 0.00 175.76 175.86 2k9a h GLY 106 N 16.12 0.06 1.19 0.00 0.00 -1.88 -2.65 103.07 115.91 2k9a h GLY 106 Ca -0.36 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2k9a h GLY 106 CO 1.02 0.03 -0.01 -0.55 0.00 0.00 0.00 176.54 177.03 2k9a h ASP 107 N 0.05 0.95 0.01 0.19 5.19 -1.98 -0.37 116.42 120.47 2k9a h ASP 107 Ca 0.01 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2k9a h ASP 107 Cb 0.34 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2k9a h ASP 107 CO 0.02 1.01 -0.00 0.40 -3.12 0.00 0.00 179.24 177.55 2k9a h ILE 108 N 0.89 1.46 0.00 0.35 2.04 -1.88 -3.24 117.51 117.13 2k9a h ILE 108 Ca 0.16 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 2k9a h ILE 108 Cb 0.54 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2k9a h ILE 108 CO 0.03 0.37 -0.25 0.15 0.00 0.00 0.00 178.15 178.45 2k9a h PHE 109 N -0.64 0.00 -1.12 1.37 3.57 -1.51 -2.67 116.94 115.95 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 0.62 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 2k9a h PHE 109 CO 0.14 0.25 0.79 0.22 -2.23 0.00 0.00 178.31 177.48 2k9a h ASP 110 N 0.00 0.07 -0.00 0.41 3.58 -1.08 0.72 116.42 120.12 2k9a h ASP 110 Ca -0.00 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 2k9a h ASP 110 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2k9a h ASP 110 CO 0.03 0.01 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.36 2k9a h MET 111 N 0.06 0.02 0.00 0.28 4.05 -1.61 -3.14 114.93 114.58 2k9a h MET 111 Ca 0.55 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.06 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 2k9a h MET 111 CO -0.06 0.64 -0.09 -0.07 0.23 0.00 0.00 176.91 177.57 2k9a h LEU 112 N -0.61 0.00 -1.90 3.39 3.38 -0.69 -2.83 115.31 116.06 2k9a h LEU 112 Ca -0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2k9a h LEU 112 CO 0.00 0.09 0.61 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 0.31 0.64 115.31 123.77 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 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2k9a h LEU 113 CO 0.01 0.00 0.04 0.35 -0.34 0.00 0.00 178.44 178.51 2k9a n THR 114 N -3.87 0.91 0.27 1.05 -2.24 -1.07 -1.63 114.28 107.69 2k9a n THR 114 Ca 0.14 0.27 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 2k9a n THR 114 Cb 0.86 -1.27 0.74 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.14 -3.37 116.94 117.25 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 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2k9a h PHE 115 CO 0.00 0.11 -0.37 0.25 -0.60 0.00 0.00 178.31 177.70 2k9a n THR 116 N -3.64 0.00 -1.98 -1.55 -2.24 -0.65 -4.98 114.28 99.24 2k9a n THR 116 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2k9a n THR 116 Cb 0.23 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.93 4.97 0.44 3.42 2.15 -0.89 -4.78 116.67 118.05 2k9a s ASP 117 Ca 0.00 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 52.48 2k9a s ASP 117 Cb 0.00 -2.56 0.98 0.00 -0.30 0.00 0.00 42.92 41.04 2k9a s ASP 117 CO 0.00 -2.91 2.08 0.15 -0.17 0.00 0.00 175.17 174.32 2k9a h PHE 118 N 11.45 0.36 -0.65 -5.34 3.57 -1.89 -1.73 116.94 122.72 2k9a h PHE 118 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2k9a h PHE 118 Cb 1.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2k9a h PHE 118 CO 1.21 0.23 0.37 -0.07 -2.23 0.00 0.00 178.31 177.82 2k9a h LEU 119 N 0.39 0.78 -0.41 0.59 -0.00 -1.97 -1.83 115.31 112.86 2k9a h LEU 119 Ca 0.10 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.88 57.76 2k9a h LEU 119 Cb -0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 2k9a h LEU 119 CO -0.02 0.62 -0.79 0.00 -0.00 0.00 0.00 178.44 178.25 2k9a h ALA 120 N 1.52 0.65 0.46 1.53 0.00 -1.73 -2.11 119.26 119.57 2k9a h ALA 120 Ca 0.23 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2k9a h ALA 120 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k9a h ALA 120 CO -0.04 0.88 -0.22 0.35 0.00 0.00 0.00 179.25 180.22 2k9a h PHE 121 N 0.10 -0.57 -0.41 0.00 3.57 -0.93 0.21 116.94 118.91 2k9a h PHE 121 Ca -0.03 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 2k9a h PHE 121 Cb 1.38 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 2k9a h PHE 121 CO 0.02 -0.33 -0.14 -0.22 -2.23 0.00 0.00 178.31 175.41 2k9a h LYS 122 N -0.66 0.74 0.00 1.11 3.64 -1.47 -2.48 116.57 117.46 2k9a h LYS 122 Ca -0.06 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 2k9a h LYS 122 Cb 0.49 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2k9a h LYS 122 CO 0.10 0.85 -0.33 1.49 -2.27 0.00 0.00 179.45 179.29 2k9a h GLU 123 N 0.67 0.00 -0.10 1.90 4.81 -1.23 -1.37 114.58 119.27 2k9a h GLU 123 Ca 0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2k9a h GLU 123 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k9a h GLU 123 CO 0.04 0.33 -0.08 1.98 -0.73 0.00 0.00 179.01 180.55 2k9a h MET 124 N 0.00 0.23 -0.38 1.92 4.05 -0.12 -1.86 114.93 118.76 2k9a h MET 124 Ca -0.00 -0.11 -0.15 0.00 -0.28 0.00 0.00 59.70 59.15 2k9a h MET 124 Cb 0.63 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2k9a h MET 124 CO 0.04 0.62 -0.35 0.74 0.23 0.00 0.00 176.91 178.19 2k9a h PHE 125 N -0.16 1.08 -0.71 1.39 0.04 -1.40 -2.39 116.94 114.79 2k9a h PHE 125 Ca 0.02 -0.32 -0.02 0.00 2.80 0.00 0.00 57.97 60.45 2k9a h PHE 125 Cb 0.57 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2k9a h PHE 125 CO 0.08 1.14 0.38 -0.07 -0.60 0.00 0.00 178.31 179.23 2k9a h LEU 126 N 0.72 0.89 -0.16 1.54 4.07 -1.29 -1.66 115.31 119.44 2k9a h LEU 126 Ca 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2k9a h LEU 126 Cb 0.94 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2k9a h LEU 126 CO 0.09 0.74 0.01 -0.78 -1.08 0.00 0.00 178.44 177.42 2k9a h ASP 127 N 0.98 0.26 -0.60 -0.43 1.82 -1.30 -1.83 116.42 115.32 2k9a h ASP 127 Ca 0.25 -0.29 0.05 0.00 -0.39 0.00 0.00 57.03 56.65 2k9a h ASP 127 Cb 0.05 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 2k9a h ASP 127 CO -0.04 0.48 0.40 0.22 -1.61 0.00 0.00 179.24 178.69 2k9a h TYR 128 N 0.03 0.62 -0.27 0.28 3.20 -1.27 -1.85 116.97 117.70 2k9a h TYR 128 Ca 0.05 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2k9a h TYR 128 Cb 0.34 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2k9a h TYR 128 CO 0.03 0.34 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.34 2k9a h ARG 129 N 0.63 0.79 -0.12 1.82 2.43 -1.11 -3.07 114.38 115.75 2k9a h ARG 129 Ca 0.25 -0.49 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2k9a h ARG 129 Cb 0.21 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2k9a h ARG 129 CO -0.07 1.12 -0.00 0.00 -1.51 0.00 0.00 179.97 179.50 2k9a h ALA 130 N 0.67 1.78 0.00 2.80 0.00 -0.54 -1.12 119.26 122.84 2k9a h ALA 130 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k9a h ALA 130 Cb 1.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k9a h ALA 130 CO 0.10 0.17 -0.12 0.93 0.00 0.00 0.00 179.25 180.34 2k9a h GLU 131 N 0.17 0.00 0.00 0.00 5.08 -1.30 -2.04 114.58 116.48 2k9a h GLU 131 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k9a h GLU 131 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k9a h GLU 131 CO 0.00 0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 2k9a n LYS 132 N -3.45 0.16 -0.03 2.33 4.76 -0.42 -2.04 118.16 119.47 2k9a n LYS 132 Ca -0.01 0.36 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 2k9a n LYS 132 Cb 0.29 -1.78 0.11 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.08 2.26 -0.05 1.97 1.02 -0.77 -4.29 120.64 118.69 2k9a n GLU 133 Ca 0.03 -1.94 -0.10 0.00 -0.02 0.00 0.00 57.16 55.13 2k9a n GLU 133 Cb 0.24 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.06 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 134 N 1.33 -0.95 3.92 0.62 0.00 -0.87 -4.95 105.19 104.29 2k9a n GLY 134 Ca 0.14 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2k9a n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k9a s ARG 135 N -2.55 3.58 0.00 1.61 0.52 -1.23 -5.15 118.95 115.73 2k9a s ARG 135 Ca -0.09 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2k9a s ARG 135 Cb 0.07 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.83 2k9a s ARG 135 CO 0.82 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.82