#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 -5.20 -0.58 6.12 8.00 -1.26 -4.82 116.55 118.81 2k9a n ASP 2 Ca 0.00 0.38 0.02 0.00 0.71 0.00 0.00 54.79 55.90 2k9a n ASP 2 Cb 0.00 -4.56 0.07 0.00 -0.02 0.00 0.00 41.12 36.61 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a n ALA 3 N 0.50 2.66 1.25 2.24 0.00 -1.26 -3.88 120.51 122.02 2k9a n ALA 3 Ca -0.20 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.04 2k9a n ALA 3 Cb 0.64 -1.01 0.62 0.00 0.00 0.00 0.00 19.45 19.70 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 0.04 0.00 0.00 0.00 4.77 -1.26 -4.99 117.00 115.56 2k9a n LEU 4 Ca 0.05 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2k9a n LEU 4 Cb 0.32 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2k9a n LEU 4 CO 0.05 -0.04 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.43 2k9a n GLU 5 N -1.12 -0.24 -2.03 3.23 1.02 -1.25 -5.06 120.64 115.18 2k9a n GLU 5 Ca 0.14 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2k9a n GLU 5 Cb 0.12 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 6 N -0.36 -0.58 2.75 0.62 0.00 -1.26 -5.13 105.19 101.24 2k9a n GLY 6 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.99 0.59 0.00 1.61 2.12 -1.26 -4.91 118.70 115.86 2k9a s GLU 7 Ca 0.00 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2k9a s GLU 7 Cb 0.00 -1.29 0.00 0.00 0.26 0.00 0.00 34.13 33.10 2k9a s GLU 7 CO 0.00 -0.40 0.00 0.45 -0.54 0.00 0.00 175.26 174.77 2k9a n SER 8 N 5.13 0.00 -1.44 -1.70 2.88 -1.26 -5.01 113.62 112.23 2k9a n SER 8 Ca -0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 2k9a n SER 8 Cb 0.49 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k9a n PHE 9 N -0.13 -0.05 -2.87 0.66 3.01 -1.26 -4.95 117.46 111.86 2k9a n PHE 9 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 2k9a n PHE 9 Cb 0.00 -3.24 0.09 0.00 -0.01 0.00 0.00 39.48 36.32 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k9a s ALA 10 N -2.53 4.35 0.32 4.37 0.00 -1.26 -5.14 121.76 121.88 2k9a s ALA 10 Ca 0.00 -2.09 -0.15 0.00 0.00 0.00 0.00 51.96 49.72 2k9a s ALA 10 Cb 0.00 -1.63 0.06 0.00 0.00 0.00 0.00 23.12 21.55 2k9a s ALA 10 CO 0.00 -1.20 0.80 1.47 0.00 0.00 0.00 175.76 176.83 2k9a n LEU 11 N -2.54 0.00 -2.53 0.00 -0.00 -1.26 -5.11 117.00 105.56 2k9a n LEU 11 Ca 0.17 -2.13 -0.04 0.00 -0.00 0.00 0.00 56.01 54.01 2k9a n LEU 11 Cb 0.62 3.32 -0.03 0.00 -0.00 0.00 0.00 43.42 47.33 2k9a n LEU 11 CO 0.40 -0.71 -0.61 -0.24 -0.00 0.00 0.00 177.39 176.24 2k9a n SER 12 N -1.43 -3.37 -3.59 1.45 2.88 -1.26 -5.04 113.62 103.26 2k9a n SER 12 Ca -0.07 1.52 -0.28 0.00 -1.33 0.00 0.00 58.87 58.71 2k9a n SER 12 Cb 0.55 -5.19 -0.16 0.00 -0.75 0.00 0.00 64.21 58.67 2k9a n SER 12 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 13 N -0.63 0.46 0.27 0.66 0.08 -1.26 -4.90 117.98 112.66 2k9a s PHE 13 Ca -0.19 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.07 2k9a s PHE 13 Cb 0.01 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 2k9a s PHE 13 CO 0.53 -0.72 0.00 0.43 -0.10 0.00 0.00 175.22 175.35 2k9a n SER 14 N 5.21 -2.00 -0.02 1.36 7.64 -1.26 -4.98 113.62 119.58 2k9a n SER 14 Ca -0.06 0.51 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 2k9a n SER 14 Cb 0.44 2.03 -0.14 0.00 -1.01 0.00 0.00 64.21 65.53 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k9a n SER 15 N -3.10 1.78 -0.36 6.43 7.64 -1.26 -4.16 113.62 120.59 2k9a n SER 15 Ca 0.00 0.22 0.31 0.00 1.01 0.00 0.00 58.87 60.41 2k9a n SER 15 Cb 0.00 -0.60 0.64 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.29 2.73 -2.43 -0.43 0.00 -1.93 -1.25 119.26 116.24 2k9a h ALA 16 Ca -0.41 0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 2k9a h ALA 16 Cb 2.03 0.09 0.10 0.00 0.00 0.00 0.00 17.79 20.00 2k9a h ALA 16 CO 0.07 -1.15 0.52 0.45 0.00 0.00 0.00 179.25 179.14 2k9a n SER 17 N -4.43 2.68 0.24 0.00 2.88 -1.26 -4.73 113.62 109.00 2k9a n SER 17 Ca 0.28 1.18 0.18 0.00 -1.33 0.00 0.00 58.87 59.18 2k9a n SER 17 Cb 1.16 -1.45 0.88 0.00 -0.75 0.00 0.00 64.21 64.05 2k9a n SER 17 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k9a h ASP 18 N 3.12 0.00 0.41 -3.46 5.19 -1.94 -0.54 116.42 119.19 2k9a h ASP 18 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 2k9a h ASP 18 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2k9a h ASP 18 CO 0.67 0.00 -0.20 0.00 -3.12 0.00 0.00 179.24 176.59 2k9a h ALA 19 N 1.69 -0.56 0.04 3.45 0.00 -1.88 -2.67 119.26 119.33 2k9a h ALA 19 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k9a h ALA 19 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k9a h ALA 19 CO -0.00 -0.59 -0.02 1.49 0.00 0.00 0.00 179.25 180.14 2k9a h GLU 20 N -1.01 -0.05 -0.57 0.00 4.57 -1.65 -2.65 114.58 113.22 2k9a h GLU 20 Ca -0.06 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.24 2k9a h GLU 20 Cb 0.54 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 2k9a h GLU 20 CO 0.09 0.46 -0.21 0.35 -1.18 0.00 0.00 179.01 178.52 2k9a h PHE 21 N -0.58 -0.52 -0.80 0.92 3.57 0.15 0.57 116.94 120.24 2k9a h PHE 21 Ca -0.01 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2k9a h PHE 21 Cb 0.53 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2k9a h PHE 21 CO 0.10 -0.31 0.52 0.22 -2.23 0.00 0.00 178.31 176.62 2k9a h ASP 22 N -0.07 0.89 -0.79 0.41 1.82 -1.52 -2.25 116.42 114.90 2k9a h ASP 22 Ca 0.26 -0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.96 2k9a h ASP 22 Cb 0.48 -0.21 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 2k9a h ASP 22 CO -0.62 0.63 0.46 0.00 -1.61 0.00 0.00 179.24 178.10 2k9a h ALA 23 N 1.31 1.10 -0.80 -0.78 0.00 -0.56 -1.57 119.26 117.97 2k9a h ALA 23 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2k9a h ALA 23 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2k9a h ALA 23 CO -0.09 0.14 0.41 0.28 0.00 0.00 0.00 179.25 179.99 2k9a h VAL 24 N 0.82 1.24 -0.88 0.00 2.07 -0.66 -2.41 116.25 116.44 2k9a h VAL 24 Ca 0.36 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2k9a h VAL 24 Cb 0.25 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 2k9a h VAL 24 CO -0.21 0.28 0.53 0.58 0.02 0.00 0.00 177.57 178.77 2k9a h VAL 25 N 1.12 0.95 -0.06 2.57 2.07 -0.92 -1.46 116.25 120.52 2k9a h VAL 25 Ca 0.28 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k9a h VAL 25 Cb 0.08 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2k9a h VAL 25 CO -0.04 0.16 0.03 1.23 0.02 0.00 0.00 177.57 178.97 2k9a h GLY 26 N 0.89 0.09 0.87 2.17 0.00 -1.04 -2.35 103.07 103.71 2k9a h GLY 26 Ca 0.41 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.79 2k9a h GLY 26 CO -0.23 0.04 0.52 -0.97 0.00 0.00 0.00 176.54 175.90 2k9a h TYR 27 N -0.02 0.82 -0.26 5.60 0.05 -1.12 -1.70 116.97 120.34 2k9a h TYR 27 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.11 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 2k9a h TYR 27 CO -0.04 0.40 0.15 -0.07 -1.05 0.00 0.00 178.16 177.55 2k9a h LEU 28 N 0.78 0.32 -1.18 3.88 3.38 -0.91 -2.39 115.31 119.19 2k9a h LEU 28 Ca 0.36 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.37 2k9a h LEU 28 Cb 0.38 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2k9a h LEU 28 CO -0.14 0.30 0.59 -0.33 0.09 0.00 0.00 178.44 178.94 2k9a h GLU 29 N 0.32 0.86 -0.17 1.13 5.08 -0.80 0.59 114.58 121.58 2k9a h GLU 29 Ca 0.09 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2k9a h GLU 29 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2k9a h GLU 29 CO -0.02 0.57 -0.20 0.22 -1.00 0.00 0.00 179.01 178.58 2k9a h ASP 30 N 0.88 0.29 0.09 1.42 1.82 -1.08 -2.37 116.42 117.48 2k9a h ASP 30 Ca 0.43 -0.08 -0.25 0.00 -0.39 0.00 0.00 57.03 56.74 2k9a h ASP 30 Cb 0.46 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.40 2k9a h ASP 30 CO -0.19 0.51 -0.99 0.40 -1.61 0.00 0.00 179.24 177.36 2k9a h ILE 31 N 0.28 1.32 -0.63 2.25 2.04 -0.49 -2.40 117.51 119.88 2k9a h ILE 31 Ca 0.05 -2.28 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 2k9a h ILE 31 Cb 0.52 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 2k9a h ILE 31 CO 0.03 0.70 0.28 0.40 0.00 0.00 0.00 178.15 179.57 2k9a h ILE 32 N 0.36 1.22 -0.09 -0.67 2.04 -0.89 -2.07 117.51 117.42 2k9a h ILE 32 Ca -0.11 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2k9a h ILE 32 Cb 1.63 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2k9a h ILE 32 CO 0.19 0.26 0.00 0.23 0.00 0.00 0.00 178.15 178.83 2k9a n MET 33 N -4.48 1.52 -1.94 2.37 2.81 -0.91 -4.49 117.12 112.00 2k9a n MET 33 Ca 0.04 -0.77 -0.42 0.00 -1.81 0.00 0.00 57.70 54.74 2k9a n MET 33 Cb 0.14 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.68 6.60 0.27 7.83 2.15 -0.78 -4.90 116.67 126.16 2k9a s ASP 34 Ca 0.34 2.58 -0.01 0.00 0.43 0.00 0.00 52.55 55.89 2k9a s ASP 34 Cb 0.17 -2.59 0.51 0.00 -0.30 0.00 0.00 42.92 40.72 2k9a s ASP 34 CO 0.27 -0.83 1.82 -2.24 -0.17 0.00 0.00 175.17 174.03 2k9a h ASP 35 N 7.05 0.81 0.67 -0.34 2.03 -1.89 -0.34 116.42 124.40 2k9a h ASP 35 Ca -0.43 0.05 -0.11 0.00 -0.73 0.00 0.00 57.03 55.82 2k9a h ASP 35 Cb 1.20 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 2k9a h ASP 35 CO 0.91 0.43 -0.50 -0.08 -1.03 0.00 0.00 179.24 178.97 2k9a h GLU 36 N 0.89 0.00 -0.01 4.15 4.81 -1.93 -2.53 114.58 119.96 2k9a h GLU 36 Ca 0.47 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.54 2k9a h GLU 36 Cb 0.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k9a h GLU 36 CO -0.27 0.50 -0.60 0.35 -0.73 0.00 0.00 179.01 178.26 2k9a h PHE 37 N 0.00 0.63 -0.39 0.92 3.57 -1.39 -2.54 116.94 117.75 2k9a h PHE 37 Ca -0.01 -0.33 -0.08 0.00 3.53 0.00 0.00 57.97 61.08 2k9a h PHE 37 Cb 0.97 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2k9a h PHE 37 CO 0.00 1.15 -0.10 1.96 -2.23 0.00 0.00 178.31 179.09 2k9a h GLN 38 N -0.06 0.67 -0.21 1.11 4.20 -1.13 -1.17 115.11 118.51 2k9a h GLN 38 Ca -0.07 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 2k9a h GLN 38 Cb 1.30 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2k9a h GLN 38 CO 0.12 0.75 -0.17 1.25 -0.67 0.00 0.00 178.83 180.11 2k9a h LEU 39 N 0.61 0.52 -0.05 1.46 5.85 -1.51 -2.55 115.31 119.64 2k9a h LEU 39 Ca 0.11 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2k9a h LEU 39 Cb 0.53 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2k9a h LEU 39 CO 0.03 0.87 0.01 0.25 -0.34 0.00 0.00 178.44 179.26 2k9a h LEU 40 N 0.18 0.08 -0.07 2.25 6.46 -1.34 -0.86 115.31 122.00 2k9a h LEU 40 Ca 0.04 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2k9a h LEU 40 Cb 0.70 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2k9a h LEU 40 CO 0.04 0.31 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.40 2k9a h GLN 41 N -0.16 -0.23 -0.18 1.25 4.15 -1.27 -2.01 115.11 116.67 2k9a h GLN 41 Ca 0.01 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2k9a h GLN 41 Cb 0.26 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2k9a h GLN 41 CO 0.00 -0.15 -0.20 -0.09 -1.93 0.00 0.00 178.83 176.46 2k9a h ARG 42 N -0.24 0.30 -0.12 1.69 2.43 -1.47 -0.20 114.38 116.78 2k9a h ARG 42 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k9a h ARG 42 Cb 0.34 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2k9a h ARG 42 CO -0.21 0.50 0.08 -0.97 -1.51 0.00 0.00 179.97 177.85 2k9a h ASN 43 N 0.28 0.15 0.14 -3.80 -0.73 -0.47 -1.95 115.58 109.20 2k9a h ASN 43 Ca 0.05 -0.03 -0.29 0.00 1.87 0.00 0.00 56.30 57.90 2k9a h ASN 43 Cb 0.51 -0.04 0.03 0.00 0.27 0.00 0.00 38.32 39.10 2k9a h ASN 43 CO 0.03 0.13 -1.22 -0.26 -0.37 0.00 0.00 177.43 175.74 2k9a h PHE 44 N 0.15 0.96 -0.34 0.67 -1.00 -1.28 -3.25 116.94 112.84 2k9a h PHE 44 Ca 0.04 -0.62 0.10 0.00 2.81 0.00 0.00 57.97 60.30 2k9a h PHE 44 Cb 0.01 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2k9a h PHE 44 CO -0.06 1.47 0.27 0.52 -1.61 0.00 0.00 178.31 178.90 2k9a h MET 45 N 0.18 0.00 -0.17 1.51 2.86 -1.00 0.88 114.93 119.19 2k9a h MET 45 Ca -0.19 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2k9a h MET 45 Cb 1.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 2k9a h MET 45 CO 0.23 0.00 0.11 0.22 1.06 0.00 0.00 176.91 178.54 2k9a h ASP 46 N 0.00 0.14 0.08 1.22 1.82 -1.38 -1.48 116.42 116.82 2k9a h ASP 46 Ca 0.16 -0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.43 2k9a h ASP 46 Cb 0.71 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 2k9a h ASP 46 CO -0.00 0.10 -2.20 1.17 -1.61 0.00 0.00 179.24 176.69 2k9a n LYS 47 N -4.51 0.71 0.16 0.28 0.00 0.16 -4.25 118.16 110.71 2k9a n LYS 47 Ca -0.00 0.21 -0.14 0.00 0.00 0.00 0.00 58.31 58.38 2k9a n LYS 47 Cb 0.13 -1.63 -0.06 0.00 0.00 0.00 0.00 35.03 33.47 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 0.04 -0.69 0.00 5.64 -1.99 -0.93 -1.40 116.97 117.64 2k9a h TYR 48 Ca -0.49 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 1.98 0.27 0.00 0.00 2.00 0.00 0.00 36.73 40.99 2k9a h TYR 48 CO 0.05 -0.37 0.03 0.10 -0.00 0.00 0.00 178.16 177.97 2k9a h TYR 49 N -0.52 0.00 0.11 4.88 -0.00 -1.50 -1.19 116.97 118.75 2k9a h TYR 49 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.57 2k9a h TYR 49 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.25 2k9a h TYR 49 CO -0.19 0.00 -0.78 -0.07 -0.00 0.00 0.00 178.16 177.12 2k9a h LEU 50 N 0.00 0.36 -0.93 0.10 3.38 -1.45 -3.33 115.31 113.45 2k9a h LEU 50 Ca 0.00 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.94 2k9a h LEU 50 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 50 CO 0.00 1.36 -0.47 -0.33 0.09 0.00 0.00 178.44 179.09 2k9a h GLU 51 N -0.49 0.00 -5.80 1.13 4.39 -0.86 -3.38 114.58 109.58 2k9a h GLU 51 Ca -0.15 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.90 2k9a h GLU 51 Cb 1.54 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.09 2k9a h GLU 51 CO 0.10 0.47 1.71 -0.06 -1.16 0.00 0.00 179.01 180.07 2k9a s PHE 52 N -3.70 2.77 0.02 4.33 0.40 -0.53 -4.98 117.98 116.29 2k9a s PHE 52 Ca -0.01 -1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 54.83 2k9a s PHE 52 Cb 0.12 -4.65 -0.06 0.00 0.51 0.00 0.00 43.02 38.94 2k9a s PHE 52 CO 0.72 -1.80 0.48 -2.00 0.70 0.00 0.00 175.22 173.32 2k9a s GLU 53 N 4.18 4.07 -0.64 0.44 2.56 -1.26 -4.87 118.70 123.18 2k9a s GLU 53 Ca 0.48 0.55 -0.26 0.00 0.00 0.00 0.00 54.97 55.73 2k9a s GLU 53 Cb 0.01 -3.25 -0.03 0.00 2.00 0.00 0.00 34.13 32.86 2k9a s GLU 53 CO -0.02 0.62 1.97 0.16 -0.56 0.00 0.00 175.26 177.43 2k9a s ASP 54 N -0.92 5.09 0.33 -1.70 -4.77 -1.26 -4.91 116.67 108.54 2k9a s ASP 54 Ca 0.26 0.29 0.06 0.00 -3.30 0.00 0.00 52.55 49.87 2k9a s ASP 54 Cb -0.18 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.09 2k9a s ASP 54 CO 0.15 -2.55 0.25 0.42 0.70 0.00 0.00 175.17 174.14 2k9a s THR 55 N 9.84 0.08 -0.18 2.11 -4.23 -1.26 -5.08 115.64 116.92 2k9a s THR 55 Ca 0.73 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.32 2k9a s THR 55 Cb -0.12 -2.47 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 2k9a s THR 55 CO 0.18 0.00 -0.05 -0.62 -0.54 0.00 0.00 174.62 173.60 2k9a n GLU 56 N -0.64 1.02 -2.68 3.99 -0.58 -1.26 -4.95 120.64 115.54 2k9a n GLU 56 Ca 0.05 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 2k9a n GLU 56 Cb 0.63 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2k9a s GLU 57 N -2.40 4.48 0.26 3.49 2.56 -1.26 -5.02 118.70 120.81 2k9a s GLU 57 Ca -0.16 1.43 -0.30 0.00 0.00 0.00 0.00 54.97 55.94 2k9a s GLU 57 Cb 0.06 -3.50 -0.09 0.00 2.00 0.00 0.00 34.13 32.59 2k9a s GLU 57 CO 0.58 -0.21 1.01 0.54 -0.56 0.00 0.00 175.26 176.62 2k9a s ASN 58 N 1.07 7.46 0.17 -1.70 2.20 -1.26 -5.06 114.94 117.83 2k9a s ASN 58 Ca 0.51 2.09 0.06 0.00 -0.94 0.00 0.00 52.86 54.57 2k9a s ASN 58 Cb -0.20 -2.62 -0.04 0.00 -2.00 0.00 0.00 41.25 36.39 2k9a s ASN 58 CO 0.23 0.01 0.08 -0.54 -2.94 0.00 0.00 177.10 173.94 2k9a s LYS 59 N -1.34 2.71 0.20 3.55 1.02 -1.26 -5.01 119.74 119.61 2k9a s LYS 59 Ca 0.43 -0.96 0.26 0.00 0.02 0.00 0.00 55.97 55.72 2k9a s LYS 59 Cb -0.28 -2.54 0.88 0.00 -0.52 0.00 0.00 37.83 35.37 2k9a s LYS 59 CO 0.36 0.48 1.77 1.28 -0.92 0.00 0.00 175.35 178.31 2k9a n LEU 60 N -0.24 0.71 0.26 3.17 4.77 -1.26 -3.07 117.00 121.34 2k9a n LEU 60 Ca -0.09 0.59 0.16 0.00 -0.03 0.00 0.00 56.01 56.64 2k9a n LEU 60 Cb 0.55 -0.39 0.63 0.00 -2.33 0.00 0.00 43.42 41.88 2k9a n LEU 60 CO 0.42 -0.25 0.97 -0.29 -1.33 0.00 0.00 177.39 176.91 2k9a h ILE 61 N 0.00 0.00 0.00 -0.08 6.09 -2.02 -2.68 117.51 118.82 2k9a h ILE 61 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 2k9a h ILE 61 Cb 0.63 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.43 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 0.04 2.19 0.05 -1.97 -2.79 116.97 114.49 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 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2k9a h TYR 62 CO 0.00 0.00 -0.02 1.15 -1.05 0.00 0.00 178.16 178.24 2k9a h THR 63 N 0.00 1.18 -0.55 -2.88 2.02 -1.70 -2.54 112.91 108.43 2k9a h THR 63 Ca 0.00 -1.68 -0.08 0.00 0.77 0.00 0.00 66.41 65.41 2k9a h THR 63 Cb 0.43 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2k9a h THR 63 CO 0.00 0.37 0.01 1.55 0.37 0.00 0.00 175.52 177.82 2k9a h PRO 64 N -0.92 0.94 -0.22 6.66 0.13 -1.71 -2.46 132.00 134.42 2k9a h PRO 64 Ca -0.01 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2k9a h PRO 64 Cb 0.65 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2k9a h PRO 64 CO 0.01 0.93 0.06 0.82 -0.23 0.00 0.00 178.00 179.58 2k9a h ILE 65 N 0.87 1.20 -0.78 -3.56 2.04 -1.63 -2.22 117.51 113.43 2k9a h ILE 65 Ca 0.16 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2k9a h ILE 65 Cb 0.50 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2k9a h ILE 65 CO 0.02 0.21 0.52 0.15 0.00 0.00 0.00 178.15 179.05 2k9a h PHE 66 N 0.17 0.93 -0.37 1.37 3.57 -1.37 -1.53 116.94 119.71 2k9a h PHE 66 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2k9a h PHE 66 Cb 0.26 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2k9a h PHE 66 CO 0.01 0.54 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.60 2k9a h ASN 67 N 0.96 0.65 -0.39 0.41 -0.26 -1.20 -2.11 115.58 113.64 2k9a h ASN 67 Ca 0.31 -0.19 -0.07 0.00 -0.56 0.00 0.00 56.30 55.79 2k9a h ASN 67 Cb 0.04 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 2k9a h ASN 67 CO -0.09 0.80 -0.01 -0.08 -1.06 0.00 0.00 177.43 176.99 2k9a h GLU 68 N 0.60 0.78 -0.17 0.81 4.81 -0.67 0.70 114.58 121.45 2k9a h GLU 68 Ca 0.10 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2k9a h GLU 68 Cb 0.56 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k9a h GLU 68 CO 0.04 0.79 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.99 2k9a h TYR 69 N 0.73 0.52 0.00 0.92 3.20 -1.16 -0.12 116.97 121.06 2k9a h TYR 69 Ca 0.14 -0.16 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2k9a h TYR 69 Cb 0.45 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2k9a h TYR 69 CO 0.02 0.82 -0.47 0.82 -1.64 0.00 0.00 178.16 177.71 2k9a h ILE 70 N 0.07 1.22 0.20 1.81 1.08 -1.28 0.67 117.51 121.29 2k9a h ILE 70 Ca 0.02 -1.68 -0.33 0.00 -0.39 0.00 0.00 64.86 62.48 2k9a h ILE 70 Cb 0.75 1.94 0.02 0.00 -3.07 0.00 0.00 36.82 36.46 2k9a h ILE 70 CO 0.05 0.46 -1.51 0.77 -0.69 0.00 0.00 178.15 177.23 2k9a h SER 71 N 0.00 0.67 0.00 1.72 4.64 -0.82 -3.27 113.55 116.49 2k9a h SER 71 Ca -0.00 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2k9a h SER 71 Cb 0.90 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2k9a h SER 71 CO 0.06 1.64 -0.38 0.25 -0.87 0.00 0.00 176.83 177.53 2k9a h LEU 72 N 0.12 0.00 0.72 5.97 5.85 -1.00 -3.34 115.31 123.63 2k9a h LEU 72 Ca -0.26 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2k9a h LEU 72 Cb 2.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.14 2k9a h LEU 72 CO 0.23 0.59 -0.35 0.58 -0.34 0.00 0.00 178.44 179.16 2k9a h VAL 73 N -0.81 0.17 -0.50 1.05 2.07 -1.04 0.60 116.25 117.80 2k9a h VAL 73 Ca 0.00 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.41 2k9a h VAL 73 Cb 0.38 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2k9a h VAL 73 CO 0.00 0.02 0.02 -0.08 0.02 0.00 0.00 177.57 177.55 2k9a h GLU 74 N -1.13 0.14 0.00 1.57 4.22 -1.55 0.72 114.58 118.54 2k9a h GLU 74 Ca -0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 2k9a h GLU 74 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2k9a h GLU 74 CO 0.16 0.09 -0.23 0.87 -2.18 0.00 0.00 179.01 177.72 2k9a h LYS 75 N 0.14 0.00 0.19 1.92 1.57 -1.61 -2.75 116.57 116.03 2k9a h LYS 75 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2k9a h LYS 75 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2k9a h LYS 75 CO -0.40 0.23 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.70 2k9a h TYR 76 N 0.00 -0.23 -0.52 -1.35 5.03 0.15 -0.31 116.97 119.74 2k9a h TYR 76 Ca -0.00 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 2k9a h TYR 76 Cb 0.64 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2k9a h TYR 76 CO 0.00 -0.11 0.10 0.82 -1.32 0.00 0.00 178.16 177.66 2k9a h ILE 77 N -0.30 1.25 -0.08 1.81 2.04 -1.40 -2.64 117.51 118.18 2k9a h ILE 77 Ca -0.03 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2k9a h ILE 77 Cb 0.23 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2k9a h ILE 77 CO 0.04 0.33 -0.06 -0.08 0.00 0.00 0.00 178.15 178.38 2k9a h GLU 78 N 0.73 -0.07 -0.18 2.37 4.81 -1.34 -1.58 114.58 119.32 2k9a h GLU 78 Ca 0.16 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2k9a h GLU 78 Cb 0.37 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2k9a h GLU 78 CO 0.01 -0.05 0.04 0.93 -0.73 0.00 0.00 179.01 179.21 2k9a h GLU 79 N -0.07 0.11 -0.25 1.92 4.39 -1.00 -0.40 114.58 119.27 2k9a h GLU 79 Ca 0.05 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2k9a h GLU 79 Cb 0.15 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2k9a h GLU 79 CO -0.12 0.07 0.17 1.96 -1.16 0.00 0.00 179.01 179.93 2k9a h GLN 80 N 0.11 0.18 0.18 2.33 1.08 -1.25 -1.85 115.11 115.89 2k9a h GLN 80 Ca 0.08 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.96 2k9a h GLN 80 Cb 0.07 -0.04 0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2k9a h GLN 80 CO -0.11 0.12 -1.35 -0.07 -0.95 0.00 0.00 178.83 176.47 2k9a h LEU 81 N 0.18 0.76 -1.51 1.46 3.38 -0.58 -3.27 115.31 115.72 2k9a h LEU 81 Ca 0.11 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 2k9a h LEU 81 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k9a h LEU 81 CO -0.02 1.59 -0.13 -0.07 0.09 0.00 0.00 178.44 179.90 2k9a h LEU 82 N 0.17 0.00 -2.32 1.67 -0.00 -0.51 -2.35 115.31 111.97 2k9a h LEU 82 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2k9a h LEU 82 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.70 2k9a h LEU 82 CO 0.25 0.13 0.11 1.56 -0.00 0.00 0.00 178.44 180.50 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.41 -2.02 115.11 117.01 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 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2k9a h GLN 83 CO 0.02 0.00 -0.64 0.54 -0.67 0.00 0.00 178.83 178.08 2k9a n ARG 84 N -2.82 2.39 -3.72 1.46 1.74 -1.02 -4.94 116.66 109.74 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.17 -0.81 -0.15 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.60 0.97 -1.09 0.55 1.01 -0.76 -4.97 121.20 115.31 2k9a s ILE 85 Ca 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 60.65 59.27 2k9a s ILE 85 Cb 0.00 -1.72 0.26 0.00 0.01 0.00 0.00 42.46 41.00 2k9a s ILE 85 CO 0.00 -0.73 1.81 -0.81 0.00 0.00 0.00 174.94 175.22 2k9a n PRO 86 N 4.58 0.08 -0.37 2.79 -0.04 -1.24 -2.80 135.00 137.99 2k9a n PRO 86 Ca 0.01 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2k9a n PRO 86 Cb 0.40 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.46 2.96 -2.09 0.54 1.02 -1.26 -5.03 120.64 115.33 2k9a n GLU 87 Ca 0.07 -2.60 -0.37 0.00 -0.02 0.00 0.00 57.16 54.24 2k9a n GLU 87 Cb 0.27 -1.68 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.24 2.56 -0.45 -0.32 5.36 -1.12 -5.02 117.98 116.75 2k9a s PHE 88 Ca 0.37 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 57.86 2k9a s PHE 88 Cb 0.27 -3.48 0.14 0.00 -0.34 0.00 0.00 43.02 39.62 2k9a s PHE 88 CO 0.11 -2.01 0.26 0.54 -1.46 0.00 0.00 175.22 172.66 2k9a s ASN 89 N -1.44 3.52 0.58 6.13 4.22 -1.26 -4.96 114.94 121.73 2k9a s ASN 89 Ca 0.71 -2.72 0.35 0.00 -2.14 0.00 0.00 52.86 49.06 2k9a s ASN 89 Cb -0.31 -1.00 1.74 0.00 1.28 0.00 0.00 41.25 42.97 2k9a s ASN 89 CO 0.35 -0.25 2.14 -0.03 -2.04 0.00 0.00 177.10 177.27 2k9a h MET 90 N 6.57 0.00 0.48 3.55 4.05 -1.98 -1.22 114.93 126.38 2k9a h MET 90 Ca 0.03 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2k9a h MET 90 Cb 0.92 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2k9a h MET 90 CO 0.48 0.04 -0.23 0.00 0.23 0.00 0.00 176.91 177.43 2k9a h ALA 91 N 1.96 -0.64 0.00 0.39 0.00 -2.00 -1.85 119.26 117.12 2k9a h ALA 91 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 91 Cb 0.29 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k9a h ALA 91 CO 0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 179.25 178.33 2k9a h ALA 92 N -0.91 1.06 0.06 0.00 0.00 -1.98 -2.83 119.26 114.67 2k9a h ALA 92 Ca -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 92 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k9a h ALA 92 CO 0.11 0.36 -0.03 0.35 0.00 0.00 0.00 179.25 180.04 2k9a h PHE 93 N 0.00 -0.08 -0.26 0.00 3.57 -1.25 -1.97 116.94 116.95 2k9a h PHE 93 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k9a h PHE 93 Cb 0.76 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 93 CO 0.00 0.35 0.16 1.79 -2.23 0.00 0.00 178.31 178.38 2k9a h THR 94 N -0.53 1.09 -0.15 4.41 1.35 -1.32 0.20 112.91 117.96 2k9a h THR 94 Ca -0.01 -0.21 0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2k9a h THR 94 Cb 0.46 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2k9a h THR 94 CO 0.01 0.09 -0.01 0.71 -0.25 0.00 0.00 175.52 176.07 2k9a h THR 95 N 0.33 0.88 0.00 6.82 1.35 -1.56 -2.08 112.91 118.66 2k9a h THR 95 Ca 0.09 -0.01 -0.08 0.00 -0.55 0.00 0.00 66.41 65.86 2k9a h THR 95 Cb 0.01 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2k9a h THR 95 CO -0.02 0.01 -0.38 0.74 -0.25 0.00 0.00 175.52 175.62 2k9a h THR 96 N 0.04 1.22 -0.31 6.82 2.02 -1.20 -3.08 112.91 118.41 2k9a h THR 96 Ca 0.07 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 2k9a h THR 96 Cb 0.09 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2k9a h THR 96 CO -0.13 0.37 0.13 0.25 0.37 0.00 0.00 175.52 176.51 2k9a h LEU 97 N 0.00 0.43 -1.64 2.58 6.46 0.05 -0.66 115.31 122.53 2k9a h LEU 97 Ca -0.00 -0.16 0.22 0.00 -0.12 0.00 0.00 57.88 57.81 2k9a h LEU 97 Cb 0.70 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 2k9a h LEU 97 CO 0.05 0.48 0.61 1.56 -0.62 0.00 0.00 178.44 180.51 2k9a h GLN 98 N 0.36 0.28 0.14 1.25 4.20 -1.31 0.14 115.11 120.18 2k9a h GLN 98 Ca 0.10 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 2k9a h GLN 98 Cb 0.18 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 27.92 2k9a h GLN 98 CO -0.01 0.19 -0.88 1.25 -0.67 0.00 0.00 178.83 178.71 2k9a h HIS 99 N 0.29 0.61 0.00 2.96 2.76 -1.53 -3.21 115.15 117.03 2k9a h HIS 99 Ca 0.46 -0.43 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2k9a h HIS 99 Cb 1.32 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2k9a h HIS 99 CO -0.00 1.33 0.00 0.72 -1.30 0.00 0.00 177.93 178.68 2k9a n HIS 100 N -4.08 0.00 0.33 5.26 8.25 -0.02 -2.67 115.22 122.28 2k9a n HIS 100 Ca -0.14 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.54 2k9a n HIS 100 Cb 0.84 -0.09 1.13 0.00 1.12 0.00 0.00 29.99 32.99 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 -0.83 0.23 116.57 119.20 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k9a h LYS 101 CO 0.00 0.00 0.00 0.38 -2.27 0.00 0.00 179.45 177.56 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.04 -1.76 -3.37 116.42 118.53 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k9a h ASP 102 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2k9a h ASP 102 CO 0.00 0.00 -0.33 1.21 -2.04 0.00 0.00 179.24 178.08 2k9a n GLU 103 N -2.36 0.18 -0.58 4.15 4.07 -0.06 -5.06 120.64 120.97 2k9a n GLU 103 Ca 0.03 0.07 -0.30 0.00 -0.06 0.00 0.00 57.16 56.90 2k9a n GLU 103 Cb 0.29 -0.76 0.21 0.00 -0.06 0.00 0.00 31.44 31.12 2k9a n GLU 103 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2k9a n VAL 104 N -3.67 0.00 -1.60 6.31 0.24 -0.44 -4.79 118.33 114.38 2k9a n VAL 104 Ca -0.05 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 2k9a n VAL 104 Cb 0.17 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 31.64 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9a s ALA 105 N -2.40 2.42 0.40 2.33 0.00 -1.26 -4.81 121.76 118.44 2k9a s ALA 105 Ca 0.64 0.57 0.12 0.00 0.00 0.00 0.00 51.96 53.30 2k9a s ALA 105 Cb -0.22 -4.15 0.84 0.00 0.00 0.00 0.00 23.12 19.59 2k9a s ALA 105 CO 0.64 -3.26 1.91 0.78 0.00 0.00 0.00 175.76 175.84 2k9a h GLY 106 N 16.33 0.08 1.22 0.00 0.00 -1.87 -2.56 103.07 116.27 2k9a h GLY 106 Ca -0.36 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2k9a h GLY 106 CO 1.01 0.05 -0.04 -0.55 0.00 0.00 0.00 176.54 177.02 2k9a h ASP 107 N 0.07 0.91 -0.00 0.19 3.32 -1.95 -0.07 116.42 118.88 2k9a h ASP 107 Ca 0.01 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k9a h ASP 107 Cb 0.46 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2k9a h ASP 107 CO 0.03 0.99 -0.01 0.40 -1.72 0.00 0.00 179.24 178.93 2k9a h ILE 108 N 0.85 1.50 0.00 0.35 2.04 -1.89 -3.22 117.51 117.13 2k9a h ILE 108 Ca 0.15 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 2k9a h ILE 108 Cb 0.55 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2k9a h ILE 108 CO 0.03 0.39 -0.23 0.15 0.00 0.00 0.00 178.15 178.48 2k9a h PHE 109 N -0.60 0.00 -1.15 1.37 3.57 -1.48 -2.67 116.94 115.98 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 109 Cb 0.64 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 2k9a h PHE 109 CO 0.14 0.23 0.81 0.22 -2.23 0.00 0.00 178.31 177.49 2k9a h ASP 110 N 0.00 0.07 -0.01 0.41 3.58 -1.01 0.63 116.42 120.10 2k9a h ASP 110 Ca -0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2k9a h ASP 110 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k9a h ASP 110 CO 0.03 0.01 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.35 2k9a h MET 111 N 0.06 0.03 0.00 0.28 4.05 -1.62 -3.15 114.93 114.58 2k9a h MET 111 Ca 0.56 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.12 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.92 2k9a h MET 111 CO -0.06 0.64 -0.10 -0.07 0.23 0.00 0.00 176.91 177.56 2k9a h LEU 112 N -0.58 0.00 -1.89 3.39 3.38 -0.65 -2.84 115.31 116.12 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 0.10 0.61 0.25 0.09 0.00 0.00 178.44 179.50 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.12 0.62 115.31 123.57 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 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.86 0.00 0.23 1.05 -2.24 -1.07 -2.17 114.28 106.22 2k9a n THR 114 Ca 0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.99 2k9a n THR 114 Cb 0.86 -1.00 0.55 0.00 -2.10 0.00 0.00 70.33 68.65 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 -3.38 116.94 117.23 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.20 0.00 -2.37 -0.60 0.00 0.00 178.31 175.54 2k9a n THR 116 N -4.06 0.00 -2.28 -1.55 5.66 -0.99 -5.01 114.28 106.05 2k9a n THR 116 Ca -0.02 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 2k9a n THR 116 Cb 0.27 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N -1.12 5.75 0.55 1.09 2.15 -0.92 -4.80 116.67 119.37 2k9a s ASP 117 Ca 0.00 -0.81 0.21 0.00 0.43 0.00 0.00 52.55 52.38 2k9a s ASP 117 Cb 0.00 -2.56 1.49 0.00 -0.30 0.00 0.00 42.92 41.55 2k9a s ASP 117 CO 0.00 -2.16 2.19 0.15 -0.17 0.00 0.00 175.17 175.18 2k9a h PHE 118 N 11.05 0.00 -0.62 -5.34 3.57 -1.88 -1.48 116.94 122.24 2k9a h PHE 118 Ca 0.05 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 118 Cb 1.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2k9a h PHE 118 CO 1.21 0.00 0.09 -0.07 -2.23 0.00 0.00 178.31 177.31 2k9a h LEU 119 N 0.00 0.98 -0.50 0.59 3.38 -1.98 -2.29 115.31 115.49 2k9a h LEU 119 Ca 0.00 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 2k9a h LEU 119 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2k9a h LEU 119 CO -0.00 0.98 -0.59 0.00 0.09 0.00 0.00 178.44 178.92 2k9a h ALA 120 N 1.13 0.79 0.32 1.53 0.00 -1.66 -1.96 119.26 119.41 2k9a h ALA 120 Ca 0.19 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k9a h ALA 120 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k9a h ALA 120 CO 0.01 0.73 -0.15 0.35 0.00 0.00 0.00 179.25 180.19 2k9a h PHE 121 N 0.00 -0.40 -0.34 0.00 3.57 -1.07 -0.95 116.94 117.75 2k9a h PHE 121 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2k9a h PHE 121 Cb 1.23 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2k9a h PHE 121 CO 0.00 -0.07 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.72 2k9a h LYS 122 N -0.77 0.65 0.00 1.11 3.64 -1.50 -2.66 116.57 117.05 2k9a h LYS 122 Ca -0.04 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2k9a h LYS 122 Cb 0.51 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2k9a h LYS 122 CO 0.07 0.81 -0.03 1.49 -2.27 0.00 0.00 179.45 179.53 2k9a h GLU 123 N 0.44 0.00 -0.13 1.90 4.81 -1.41 -1.41 114.58 118.79 2k9a h GLU 123 Ca 0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2k9a h GLU 123 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2k9a h GLU 123 CO 0.03 0.03 -0.02 1.98 -0.73 0.00 0.00 179.01 180.29 2k9a h MET 124 N 0.00 0.24 -0.45 1.92 4.05 -0.83 -1.66 114.93 118.20 2k9a h MET 124 Ca -0.00 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 2k9a h MET 124 Cb 0.05 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2k9a h MET 124 CO 0.00 0.52 0.17 0.74 0.23 0.00 0.00 176.91 178.58 2k9a h PHE 125 N -0.07 0.71 -0.20 1.39 0.04 -1.18 -1.83 116.94 115.81 2k9a h PHE 125 Ca 0.03 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2k9a h PHE 125 Cb 0.43 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2k9a h PHE 125 CO 0.05 0.62 0.06 -0.07 -0.60 0.00 0.00 178.31 178.37 2k9a h LEU 126 N 0.59 0.24 -0.27 1.54 4.07 -1.26 -2.12 115.31 118.10 2k9a h LEU 126 Ca 0.15 -0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.90 2k9a h LEU 126 Cb 0.22 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2k9a h LEU 126 CO -0.01 0.24 -0.61 -0.78 -1.08 0.00 0.00 178.44 176.21 2k9a h ASP 127 N 0.28 0.97 -0.93 -0.43 3.58 -0.85 -2.24 116.42 116.79 2k9a h ASP 127 Ca 0.07 -0.55 0.01 0.00 0.42 0.00 0.00 57.03 56.98 2k9a h ASP 127 Cb 0.09 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.81 2k9a h ASP 127 CO -0.01 1.35 0.61 0.22 -2.88 0.00 0.00 179.24 178.53 2k9a h TYR 128 N 0.64 1.18 -0.11 0.28 3.20 -0.70 -1.78 116.97 119.67 2k9a h TYR 128 Ca -0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 2k9a h TYR 128 Cb 1.22 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2k9a h TYR 128 CO 0.08 0.75 -0.56 -0.09 -1.64 0.00 0.00 178.16 176.70 2k9a h ARG 129 N 1.27 0.34 -0.63 1.82 2.43 -1.39 -3.08 114.38 115.14 2k9a h ARG 129 Ca 0.34 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2k9a h ARG 129 Cb -0.13 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2k9a h ARG 129 CO -0.07 0.81 0.34 0.00 -1.51 0.00 0.00 179.97 179.54 2k9a h ALA 130 N 1.15 1.41 0.00 2.80 0.00 -0.71 -1.74 119.26 122.17 2k9a h ALA 130 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 130 Cb 1.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k9a h ALA 130 CO 0.09 0.48 -0.21 0.93 0.00 0.00 0.00 179.25 180.54 2k9a h GLU 131 N 0.88 0.00 -0.10 0.00 5.08 -1.35 -1.91 114.58 117.19 2k9a h GLU 131 Ca 0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2k9a h GLU 131 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k9a h GLU 131 CO -0.04 0.21 -0.36 0.87 -1.00 0.00 0.00 179.01 178.69 2k9a h LYS 132 N 0.00 0.19 -0.02 2.33 1.79 -1.36 -2.36 116.57 117.14 2k9a h LYS 132 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2k9a h LYS 132 Cb 0.39 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2k9a h LYS 132 CO 0.03 0.54 -0.03 0.39 -1.08 0.00 0.00 179.45 179.30 2k9a n GLU 133 N -4.07 1.76 0.00 3.15 1.02 -0.82 -4.56 120.64 117.12 2k9a n GLU 133 Ca -0.01 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 2k9a n GLU 133 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.24 -1.80 3.94 0.62 0.00 -0.78 -4.88 105.19 103.53 2k9a n GLY 134 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.86 3.48 0.00 1.61 0.52 -1.26 -5.12 118.95 117.32 2k9a s ARG 135 Ca 0.00 -0.51 0.23 0.00 -0.52 0.00 0.00 55.73 54.93 2k9a s ARG 135 Cb 0.00 -2.86 1.39 0.00 0.52 0.00 0.00 34.95 34.00 2k9a s ARG 135 CO 0.00 0.40 1.76 0.41 0.02 0.00 0.00 175.30 177.89