#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 -5.53 -1.12 6.12 -0.08 -1.26 -4.85 116.55 109.83 2k9a n ASP 2 Ca 0.00 1.41 0.08 0.00 -1.51 0.00 0.00 54.79 54.77 2k9a n ASP 2 Cb 0.00 -5.32 -0.02 0.00 2.34 0.00 0.00 41.12 38.12 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a n ALA 3 N 1.03 -1.62 -0.49 -1.67 0.00 -1.26 -5.02 120.51 111.48 2k9a n ALA 3 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k9a n ALA 3 Cb 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k9a n LEU 4 N 0.00 0.00 -4.41 0.00 7.94 -1.26 -5.15 117.00 114.11 2k9a n LEU 4 Ca 0.00 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 2k9a n LEU 4 Cb 0.28 0.19 -0.11 0.00 0.53 0.00 0.00 43.42 44.31 2k9a n LEU 4 CO 0.00 -0.25 -0.48 -1.61 -1.11 0.00 0.00 177.39 173.94 2k9a s GLU 5 N -0.51 1.51 0.10 1.96 2.02 -1.26 -5.05 118.70 117.47 2k9a s GLU 5 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.36 2k9a s GLU 5 Cb 0.00 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2k9a s GLU 5 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2k9a n GLY 6 N -0.26 -3.57 0.57 -1.39 0.00 -1.26 -4.89 105.19 94.39 2k9a n GLY 6 Ca -0.08 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.11 2k9a n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k9a n GLU 7 N -0.54 1.45 -2.53 1.61 -0.58 -1.26 -5.05 120.64 113.75 2k9a n GLU 7 Ca 0.00 -1.15 -0.04 0.00 -0.42 0.00 0.00 57.16 55.55 2k9a n GLU 7 Cb 0.00 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 2k9a n GLU 7 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2k9a n SER 8 N 0.22 -2.31 0.00 1.62 2.88 -1.26 -5.04 113.62 109.73 2k9a n SER 8 Ca 0.10 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2k9a n SER 8 Cb 0.48 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 2k9a n SER 8 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2k9a n PHE 9 N 1.31 -1.47 -1.44 0.66 7.35 -1.26 -5.01 117.46 117.61 2k9a n PHE 9 Ca -0.29 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.40 2k9a n PHE 9 Cb 0.45 0.44 0.00 0.00 0.35 0.00 0.00 39.48 40.72 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9a n ALA 10 N -2.33 1.28 -1.68 3.13 0.00 -1.26 -5.08 120.51 114.56 2k9a n ALA 10 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2k9a n ALA 10 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 2k9a n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 11 N 0.00 4.00 -0.25 0.00 1.43 -1.26 -4.94 118.68 117.66 2k9a s LEU 11 Ca 0.00 2.28 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 2k9a s LEU 11 Cb 0.00 -3.52 0.14 0.00 0.03 0.00 0.00 46.19 42.84 2k9a s LEU 11 CO 0.00 -1.43 0.41 -0.44 0.23 0.00 0.00 176.35 175.12 2k9a s SER 12 N 5.94 -0.02 0.29 2.29 0.01 -1.26 -5.10 113.70 115.86 2k9a s SER 12 Ca 0.92 0.34 0.05 0.00 1.31 0.00 0.00 55.95 58.57 2k9a s SER 12 Cb -0.37 1.28 -0.02 0.00 0.21 0.00 0.00 66.02 67.12 2k9a s SER 12 CO 0.38 -0.29 0.16 0.49 0.41 0.00 0.00 173.24 174.39 2k9a n PHE 13 N 5.37 -0.23 -4.38 2.43 3.72 -1.26 -5.17 117.46 117.94 2k9a n PHE 13 Ca -0.03 -2.11 -0.27 0.00 -0.05 0.00 0.00 57.45 54.98 2k9a n PHE 13 Cb 0.50 0.10 -0.11 0.00 -0.94 0.00 0.00 39.48 39.04 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k9a s SER 14 N -2.90 3.71 0.00 4.37 0.01 -1.26 -5.00 113.70 112.63 2k9a s SER 14 Ca 0.23 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2k9a s SER 14 Cb 0.01 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2k9a s SER 14 CO 0.16 0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.73 2k9a n SER 15 N 0.20 0.00 0.22 2.44 7.64 -1.26 -4.77 113.62 118.09 2k9a n SER 15 Ca -0.12 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.82 2k9a n SER 15 Cb 0.56 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.25 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 1.37 -0.32 -0.43 0.00 -1.95 -1.44 119.26 116.49 2k9a h ALA 16 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k9a h ALA 16 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k9a h ALA 16 CO 0.00 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2k9a n SER 17 N -3.94 3.17 -2.04 0.00 3.41 -1.26 -4.69 113.62 108.27 2k9a n SER 17 Ca -0.02 -2.27 -0.00 0.00 -0.26 0.00 0.00 58.87 56.31 2k9a n SER 17 Cb 0.33 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k9a n ASP 18 N 0.22 1.09 0.23 4.04 9.92 -0.94 -5.02 116.55 126.10 2k9a n ASP 18 Ca 0.14 -1.03 0.09 0.00 -0.53 0.00 0.00 54.79 53.47 2k9a n ASP 18 Cb 0.55 -0.00 0.55 0.00 -0.64 0.00 0.00 41.12 41.58 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a h ALA 19 N 0.77 1.19 -0.73 2.24 0.00 -1.95 -3.01 119.26 117.76 2k9a h ALA 19 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k9a h ALA 19 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 19 CO 0.01 0.28 0.47 1.49 0.00 0.00 0.00 179.25 181.49 2k9a h GLU 20 N 0.00 0.91 -0.37 0.00 4.81 -1.95 -2.38 114.58 115.60 2k9a h GLU 20 Ca -0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 20 Cb 0.57 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 20 CO 0.03 0.60 0.05 0.35 -0.73 0.00 0.00 179.01 179.31 2k9a h PHE 21 N 0.93 0.08 -0.92 0.92 3.57 -1.13 -1.37 116.94 119.02 2k9a h PHE 21 Ca 0.28 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2k9a h PHE 21 Cb -0.03 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 2k9a h PHE 21 CO -0.03 -0.01 0.60 -0.44 -2.23 0.00 0.00 178.31 176.20 2k9a h ASP 22 N 0.17 0.97 -0.72 0.41 3.32 -1.58 -1.85 116.42 117.14 2k9a h ASP 22 Ca 0.18 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2k9a h ASP 22 Cb 0.22 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2k9a h ASP 22 CO -0.25 0.64 0.45 0.00 -1.72 0.00 0.00 179.24 178.36 2k9a h ALA 23 N 1.48 0.94 -0.77 3.45 0.00 -0.78 -2.07 119.26 121.51 2k9a h ALA 23 Ca 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2k9a h ALA 23 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2k9a h ALA 23 CO -0.13 0.23 0.50 0.28 0.00 0.00 0.00 179.25 180.13 2k9a h VAL 24 N 0.88 1.20 -0.98 0.00 2.07 -0.77 -1.91 116.25 116.74 2k9a h VAL 24 Ca 0.29 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2k9a h VAL 24 Cb 0.03 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.79 2k9a h VAL 24 CO -0.11 0.20 0.62 0.58 0.02 0.00 0.00 177.57 178.87 2k9a h VAL 25 N 1.05 0.97 -0.45 2.57 2.07 -1.03 -1.05 116.25 120.38 2k9a h VAL 25 Ca 0.28 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2k9a h VAL 25 Cb -0.10 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.50 2k9a h VAL 25 CO -0.06 0.19 0.08 1.23 0.02 0.00 0.00 177.57 179.02 2k9a h GLY 26 N 1.02 0.80 1.97 2.17 0.00 -0.97 -2.60 103.07 105.48 2k9a h GLY 26 Ca 0.47 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2k9a h GLY 26 CO -0.24 0.50 -0.13 -0.97 0.00 0.00 0.00 176.54 175.70 2k9a h TYR 27 N 0.61 0.03 -0.11 5.60 0.05 -0.78 -2.49 116.97 119.89 2k9a h TYR 27 Ca 0.14 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2k9a h TYR 27 Cb 0.38 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 2k9a h TYR 27 CO 0.03 0.17 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.23 2k9a h LEU 28 N 0.03 0.18 -1.57 3.88 3.38 -0.86 -2.40 115.31 117.96 2k9a h LEU 28 Ca 0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2k9a h LEU 28 Cb 0.26 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k9a h LEU 28 CO 0.02 0.46 0.17 -0.33 0.09 0.00 0.00 178.44 178.84 2k9a h GLU 29 N -0.09 0.45 -0.37 1.13 5.08 -1.16 -1.40 114.58 118.22 2k9a h GLU 29 Ca 0.03 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2k9a h GLU 29 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k9a h GLU 29 CO 0.01 0.35 0.02 0.22 -1.00 0.00 0.00 179.01 178.61 2k9a h ASP 30 N 0.46 0.61 -0.40 1.42 1.82 -1.28 -2.13 116.42 116.93 2k9a h ASP 30 Ca 0.12 -0.29 -0.08 0.00 -0.39 0.00 0.00 57.03 56.39 2k9a h ASP 30 Cb 0.04 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2k9a h ASP 30 CO -0.02 0.75 -0.05 0.40 -1.61 0.00 0.00 179.24 178.71 2k9a h ILE 31 N 0.46 1.27 -0.02 2.25 2.04 -0.93 -2.03 117.51 120.54 2k9a h ILE 31 Ca 0.11 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 2k9a h ILE 31 Cb 0.43 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2k9a h ILE 31 CO 0.01 0.37 -0.12 0.40 0.00 0.00 0.00 178.15 178.82 2k9a h ILE 32 N 0.56 1.10 -0.65 -0.67 2.04 -1.22 -1.35 117.51 117.32 2k9a h ILE 32 Ca 0.11 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2k9a h ILE 32 Cb 0.56 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2k9a h ILE 32 CO 0.03 0.13 0.00 0.23 0.00 0.00 0.00 178.15 178.54 2k9a n MET 33 N -4.38 3.98 -2.92 2.37 2.81 -0.81 -4.76 117.12 113.41 2k9a n MET 33 Ca -0.02 -2.94 -0.40 0.00 -1.81 0.00 0.00 57.70 52.53 2k9a n MET 33 Cb 0.20 -1.98 -0.06 0.00 -0.71 0.00 0.00 33.22 30.68 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 -0.87 7.43 0.12 7.83 -1.08 -0.51 -4.98 116.67 124.61 2k9a s ASP 34 Ca 0.52 1.69 -0.22 0.00 -0.52 0.00 0.00 52.55 54.02 2k9a s ASP 34 Cb 0.35 -2.52 -0.07 0.00 -1.46 0.00 0.00 42.92 39.22 2k9a s ASP 34 CO 0.23 0.16 1.69 -0.78 0.52 0.00 0.00 175.17 177.00 2k9a h ASP 35 N 4.51 -0.29 -0.16 -0.34 1.82 -1.90 -1.05 116.42 119.01 2k9a h ASP 35 Ca -0.46 0.05 0.05 0.00 -0.39 0.00 0.00 57.03 56.28 2k9a h ASP 35 Cb 1.21 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 2k9a h ASP 35 CO 0.67 -0.13 0.14 -0.08 -1.61 0.00 0.00 179.24 178.22 2k9a h GLU 36 N -0.14 0.00 0.01 0.28 4.57 -1.94 -0.25 114.58 117.12 2k9a h GLU 36 Ca 0.06 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 2k9a h GLU 36 Cb 0.22 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2k9a h GLU 36 CO -0.14 0.00 -0.91 0.35 -1.18 0.00 0.00 179.01 177.12 2k9a h PHE 37 N 0.00 0.08 -0.14 0.92 3.57 -1.50 -2.49 116.94 117.38 2k9a h PHE 37 Ca 0.08 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 37 Cb 0.35 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2k9a h PHE 37 CO 0.00 0.93 -0.03 1.96 -2.23 0.00 0.00 178.31 178.94 2k9a h GLN 38 N 0.02 0.27 -0.29 1.11 1.08 0.13 -1.02 115.11 116.41 2k9a h GLN 38 Ca -0.02 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 2k9a h GLN 38 Cb 1.60 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 2k9a h GLN 38 CO 0.12 0.55 -0.20 1.25 -0.95 0.00 0.00 178.83 179.60 2k9a h LEU 39 N -0.04 0.68 -0.48 1.46 6.46 -1.55 -2.59 115.31 119.25 2k9a h LEU 39 Ca 0.04 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 2k9a h LEU 39 Cb 0.45 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 2k9a h LEU 39 CO 0.01 0.97 0.20 0.25 -0.62 0.00 0.00 178.44 179.25 2k9a h LEU 40 N 0.39 0.66 0.23 2.25 6.46 -1.47 0.52 115.31 124.36 2k9a h LEU 40 Ca 0.06 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2k9a h LEU 40 Cb 0.75 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2k9a h LEU 40 CO 0.05 0.64 -0.11 -0.61 -0.62 0.00 0.00 178.44 177.80 2k9a h GLN 41 N 0.64 -0.30 -0.16 1.25 5.75 -1.19 -2.68 115.11 118.42 2k9a h GLN 41 Ca 0.16 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 2k9a h GLN 41 Cb 0.19 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2k9a h GLN 41 CO -0.01 -0.16 -0.21 0.00 -2.65 0.00 0.00 178.83 175.80 2k9a h ARG 42 N -0.38 0.28 -0.09 1.69 2.47 -1.42 -0.82 114.38 116.11 2k9a h ARG 42 Ca -0.03 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2k9a h ARG 42 Cb 0.29 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2k9a h ARG 42 CO 0.05 0.49 0.03 -0.97 0.56 0.00 0.00 179.97 180.13 2k9a h ASN 43 N 0.25 0.04 0.28 7.04 -0.73 -0.67 -1.73 115.58 120.07 2k9a h ASN 43 Ca 0.04 0.01 -0.31 0.00 1.87 0.00 0.00 56.30 57.91 2k9a h ASN 43 Cb 0.53 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.15 2k9a h ASN 43 CO 0.04 0.04 -1.34 -0.26 -0.37 0.00 0.00 177.43 175.53 2k9a h PHE 44 N 0.08 0.91 -0.10 0.67 0.04 -1.41 -3.23 116.94 113.89 2k9a h PHE 44 Ca 0.04 -0.62 0.03 0.00 2.80 0.00 0.00 57.97 60.21 2k9a h PHE 44 Cb 0.01 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 2k9a h PHE 44 CO -0.09 1.47 0.13 0.52 -0.60 0.00 0.00 178.31 179.74 2k9a h MET 45 N 0.19 0.00 -0.03 1.51 2.86 -1.09 0.33 114.93 118.70 2k9a h MET 45 Ca -0.21 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.31 2k9a h MET 45 Cb 2.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.67 2k9a h MET 45 CO 0.25 0.00 -0.56 0.22 1.06 0.00 0.00 176.91 177.88 2k9a h ASP 46 N 0.00 0.09 0.13 1.22 3.58 -1.33 -2.48 116.42 117.63 2k9a h ASP 46 Ca 0.05 -0.05 -0.32 0.00 0.42 0.00 0.00 57.03 57.12 2k9a h ASP 46 Cb 0.30 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2k9a h ASP 46 CO -0.00 0.63 -1.70 0.50 -2.88 0.00 0.00 179.24 175.79 2k9a h LYS 47 N 0.06 0.26 0.38 0.28 3.11 -1.12 -3.35 116.57 116.20 2k9a h LYS 47 Ca -0.00 -0.45 -0.02 0.00 -2.81 0.00 0.00 60.65 57.37 2k9a h LYS 47 Cb 1.01 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2k9a h LYS 47 CO 0.08 1.22 -0.18 1.88 -2.81 0.00 0.00 179.45 179.63 2k9a h TYR 48 N -0.13 -0.47 0.00 1.91 -1.99 -1.26 -2.15 116.97 112.88 2k9a h TYR 48 Ca -0.36 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.35 2k9a h TYR 48 Cb 1.90 0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.79 2k9a h TYR 48 CO 0.10 -0.28 0.12 0.10 -0.00 0.00 0.00 178.16 178.20 2k9a h TYR 49 N -0.53 0.00 0.06 4.88 -0.00 -1.64 -0.69 116.97 119.05 2k9a h TYR 49 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.57 2k9a h TYR 49 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.14 2k9a h TYR 49 CO -0.05 0.00 -0.51 -0.07 -0.00 0.00 0.00 178.16 177.53 2k9a h LEU 50 N 0.00 0.20 -1.28 0.10 3.38 -1.54 -3.31 115.31 112.86 2k9a h LEU 50 Ca 0.00 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.02 2k9a h LEU 50 Cb 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k9a h LEU 50 CO 0.00 1.23 -0.08 -0.33 0.09 0.00 0.00 178.44 179.35 2k9a h GLU 51 N -0.72 0.00 -5.38 1.13 4.39 -0.95 -3.37 114.58 109.68 2k9a h GLU 51 Ca -0.11 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.89 2k9a h GLU 51 Cb 1.32 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.84 2k9a h GLU 51 CO 0.04 0.08 1.76 -0.06 -1.16 0.00 0.00 179.01 179.67 2k9a s PHE 52 N -3.65 3.08 -0.03 4.33 0.40 -0.36 -4.97 117.98 116.77 2k9a s PHE 52 Ca 0.01 -1.79 -0.14 0.00 -0.60 0.00 0.00 56.93 54.42 2k9a s PHE 52 Cb 0.09 -4.55 -0.05 0.00 0.51 0.00 0.00 43.02 39.02 2k9a s PHE 52 CO 0.58 -1.63 0.37 -2.00 0.70 0.00 0.00 175.22 173.25 2k9a s GLU 53 N 3.11 3.91 -0.79 0.44 2.12 -1.26 -4.87 118.70 121.35 2k9a s GLU 53 Ca 0.48 0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.88 2k9a s GLU 53 Cb 0.01 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.18 2k9a s GLU 53 CO 0.03 0.64 1.38 0.16 -0.54 0.00 0.00 175.26 176.94 2k9a s ASP 54 N -0.87 6.13 0.05 -1.70 -4.77 -1.26 -4.95 116.67 109.29 2k9a s ASP 54 Ca 0.22 -0.60 -0.04 0.00 -3.30 0.00 0.00 52.55 48.83 2k9a s ASP 54 Cb -0.16 -2.56 -0.02 0.00 -1.09 0.00 0.00 42.92 39.09 2k9a s ASP 54 CO 0.12 -1.84 0.06 0.42 0.70 0.00 0.00 175.17 174.63 2k9a s THR 55 N 5.99 0.16 -1.33 2.11 -4.23 -1.26 -5.02 115.64 112.05 2k9a s THR 55 Ca 0.41 -1.30 0.25 0.00 -1.18 0.00 0.00 61.69 59.87 2k9a s THR 55 Cb -0.07 -1.09 0.38 0.00 1.34 0.00 0.00 72.50 73.06 2k9a s THR 55 CO 0.10 -0.72 1.82 -0.62 -0.54 0.00 0.00 174.62 174.66 2k9a n GLU 56 N 0.52 0.27 -3.51 3.99 1.02 -1.26 -4.72 120.64 116.95 2k9a n GLU 56 Ca -0.17 0.06 -0.37 0.00 -0.02 0.00 0.00 57.16 56.66 2k9a n GLU 56 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k9a s GLU 57 N -2.67 4.26 -0.21 3.49 2.12 -1.26 -5.07 118.70 119.35 2k9a s GLU 57 Ca 0.21 0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.59 2k9a s GLU 57 Cb 0.16 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2k9a s GLU 57 CO 0.39 0.21 0.04 1.21 -0.54 0.00 0.00 175.26 176.57 2k9a s ASN 58 N 0.52 5.11 0.30 -1.70 2.47 -1.26 -5.10 114.94 115.28 2k9a s ASN 58 Ca 0.17 -0.14 0.07 0.00 0.42 0.00 0.00 52.86 53.38 2k9a s ASN 58 Cb -0.13 -1.89 -0.03 0.00 -1.45 0.00 0.00 41.25 37.75 2k9a s ASN 58 CO 0.04 0.06 0.29 -0.54 -3.72 0.00 0.00 177.10 173.24 2k9a s LYS 59 N 1.04 2.93 0.00 0.43 1.02 -1.26 -5.01 119.74 118.88 2k9a s LYS 59 Ca 0.03 -1.11 0.29 0.00 0.02 0.00 0.00 55.97 55.20 2k9a s LYS 59 Cb -0.14 -2.60 1.29 0.00 -0.52 0.00 0.00 37.83 35.86 2k9a s LYS 59 CO 0.02 0.23 1.95 1.28 -0.92 0.00 0.00 175.35 177.92 2k9a n LEU 60 N -1.35 0.02 0.09 3.17 7.99 -1.26 -3.57 117.00 122.10 2k9a n LEU 60 Ca -0.04 0.43 0.07 0.00 -0.01 0.00 0.00 56.01 56.46 2k9a n LEU 60 Cb 0.59 -0.44 0.36 0.00 -0.11 0.00 0.00 43.42 43.82 2k9a n LEU 60 CO 0.43 0.00 0.71 0.00 -1.51 0.00 0.00 177.39 177.03 2k9a n ILE 61 N -1.44 1.35 0.22 -0.08 0.13 -1.26 -1.58 119.36 116.69 2k9a n ILE 61 Ca 0.09 0.58 0.09 0.00 -1.10 0.00 0.00 62.75 62.41 2k9a n ILE 61 Cb 0.31 -1.56 0.45 0.00 -0.84 0.00 0.00 39.64 38.01 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 0.07 9.51 0.05 -1.99 -2.86 116.97 121.74 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 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2k9a h TYR 62 CO 0.00 0.26 -0.03 1.15 -1.05 0.00 0.00 178.16 178.49 2k9a h THR 63 N 0.00 1.20 -0.42 -2.88 2.02 -1.59 -2.46 112.91 108.78 2k9a h THR 63 Ca -0.00 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.75 2k9a h THR 63 Cb 0.74 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2k9a h THR 63 CO 0.03 0.33 0.27 -0.65 0.37 0.00 0.00 175.52 175.87 2k9a h PRO 64 N -0.80 0.53 -0.34 6.66 0.11 -1.71 -1.82 132.00 134.63 2k9a h PRO 64 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k9a h PRO 64 Cb 0.61 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.02 0.35 0.22 0.82 -0.21 0.00 0.00 178.00 179.20 2k9a h ILE 65 N 0.55 1.08 -0.92 4.15 2.04 -1.63 -2.32 117.51 120.46 2k9a h ILE 65 Ca 0.15 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2k9a h ILE 65 Cb -0.05 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2k9a h ILE 65 CO -0.04 0.08 0.59 0.15 0.00 0.00 0.00 178.15 178.94 2k9a h PHE 66 N 0.46 1.11 -0.67 1.37 3.57 -1.22 -1.50 116.94 120.07 2k9a h PHE 66 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2k9a h PHE 66 Cb -0.05 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.29 2k9a h PHE 66 CO -0.06 0.63 0.41 -0.91 -2.23 0.00 0.00 178.31 176.16 2k9a h ASN 67 N 1.14 0.79 -0.30 0.41 2.35 -0.90 -1.66 115.58 117.41 2k9a h ASN 67 Ca 0.37 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 2k9a h ASN 67 Cb 0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2k9a h ASN 67 CO -0.13 0.60 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.10 2k9a h GLU 68 N 0.91 0.69 -0.50 0.81 4.57 -0.76 -1.55 114.58 118.76 2k9a h GLU 68 Ca 0.24 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 2k9a h GLU 68 Cb -0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2k9a h GLU 68 CO -0.05 0.75 -0.19 -0.92 -1.18 0.00 0.00 179.01 177.42 2k9a h TYR 69 N 0.64 1.14 0.00 0.92 3.20 -0.87 0.13 116.97 122.13 2k9a h TYR 69 Ca 0.12 -0.26 -0.12 0.00 3.14 0.00 0.00 58.73 61.61 2k9a h TYR 69 Cb 0.49 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2k9a h TYR 69 CO 0.02 1.09 -0.55 0.82 -1.64 0.00 0.00 178.16 177.90 2k9a h ILE 70 N 0.87 1.31 0.00 1.81 1.08 -1.14 -0.21 117.51 121.23 2k9a h ILE 70 Ca 0.12 -1.94 -0.23 0.00 -0.39 0.00 0.00 64.86 62.42 2k9a h ILE 70 Cb 0.76 2.07 -0.04 0.00 -3.07 0.00 0.00 36.82 36.55 2k9a h ILE 70 CO 0.06 0.54 -1.46 -1.28 -0.69 0.00 0.00 178.15 175.32 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.15 -2.90 113.55 112.09 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k9a h SER 71 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2k9a h SER 71 CO 0.07 0.81 -0.37 -0.11 -0.53 0.00 0.00 176.83 176.70 2k9a n LEU 72 N -3.02 1.28 0.12 2.23 -0.00 0.44 -4.17 117.00 113.88 2k9a n LEU 72 Ca -0.11 0.52 -0.06 0.00 -0.00 0.00 0.00 56.01 56.35 2k9a n LEU 72 Cb 0.94 -0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 2k9a n LEU 72 CO 0.44 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.10 2k9a h VAL 73 N -0.71 0.00 -0.82 1.96 2.07 -1.23 -2.04 116.25 115.49 2k9a h VAL 73 Ca 0.00 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.08 2k9a h VAL 73 Cb 0.37 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 2k9a h VAL 73 CO 0.00 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 177.93 2k9a h GLU 74 N -0.95 0.60 -0.14 1.57 4.81 -1.57 0.28 114.58 119.18 2k9a h GLU 74 Ca -0.04 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2k9a h GLU 74 Cb 0.29 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k9a h GLU 74 CO 0.06 0.40 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.10 2k9a h LYS 75 N 0.62 0.31 -0.15 1.92 1.63 -1.63 -2.74 116.57 116.52 2k9a h LYS 75 Ca 0.44 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 2k9a h LYS 75 Cb 0.59 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2k9a h LYS 75 CO -0.35 0.68 0.02 -0.92 -3.45 0.00 0.00 179.45 175.43 2k9a h TYR 76 N 0.26 0.02 -0.56 1.91 3.20 -0.18 -0.49 116.97 121.14 2k9a h TYR 76 Ca 0.02 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2k9a h TYR 76 Cb 0.85 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2k9a h TYR 76 CO 0.02 0.00 0.19 0.82 -1.64 0.00 0.00 178.16 177.55 2k9a h ILE 77 N 0.07 1.23 -0.60 1.81 2.04 -1.40 -2.30 117.51 118.38 2k9a h ILE 77 Ca 0.07 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2k9a h ILE 77 Cb 0.07 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2k9a h ILE 77 CO -0.10 0.29 0.39 -0.08 0.00 0.00 0.00 178.15 178.65 2k9a h GLU 78 N 0.77 0.76 -0.23 2.37 4.81 -1.17 -2.28 114.58 119.61 2k9a h GLU 78 Ca 0.18 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2k9a h GLU 78 Cb 0.26 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k9a h GLU 78 CO -0.01 0.50 0.05 0.93 -0.73 0.00 0.00 179.01 179.75 2k9a h GLU 79 N 0.78 0.37 -0.40 1.92 5.08 -0.95 -1.59 114.58 119.78 2k9a h GLU 79 Ca 0.23 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2k9a h GLU 79 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k9a h GLU 79 CO -0.06 0.49 0.27 1.96 -1.00 0.00 0.00 179.01 180.67 2k9a h GLN 80 N 0.18 0.34 0.07 2.33 1.08 -1.25 -1.67 115.11 116.20 2k9a h GLN 80 Ca 0.07 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 57.00 2k9a h GLN 80 Cb 0.29 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2k9a h GLN 80 CO 0.00 0.23 -1.09 -0.07 -0.95 0.00 0.00 178.83 176.95 2k9a h LEU 81 N 0.35 0.47 -1.44 1.46 3.38 -1.17 -3.24 115.31 115.12 2k9a h LEU 81 Ca 0.17 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2k9a h LEU 81 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k9a h LEU 81 CO -0.04 1.28 -0.23 -0.07 0.09 0.00 0.00 178.44 179.46 2k9a h LEU 82 N 0.15 0.00 -2.50 1.67 3.38 -0.40 0.01 115.31 117.62 2k9a h LEU 82 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k9a h LEU 82 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2k9a h LEU 82 CO 0.18 0.23 0.05 1.56 0.09 0.00 0.00 178.44 180.56 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.42 -3.00 115.11 116.02 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 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2k9a h GLN 83 CO 0.03 0.00 -0.84 0.54 -0.67 0.00 0.00 178.83 177.89 2k9a n ARG 84 N -2.86 3.25 -3.90 1.46 1.74 -1.02 -4.94 116.66 110.39 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 0.11 -0.92 -0.14 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.83 2.31 -1.23 0.55 1.01 -0.04 -4.94 121.20 117.03 2k9a s ILE 85 Ca 0.00 -3.07 0.19 0.00 0.00 0.00 0.00 60.65 57.76 2k9a s ILE 85 Cb 0.00 -2.61 0.25 0.00 0.01 0.00 0.00 42.46 40.11 2k9a s ILE 85 CO 0.00 -0.80 1.59 -0.81 0.00 0.00 0.00 174.94 174.92 2k9a n PRO 86 N 3.30 0.15 -0.33 2.79 -0.04 -1.23 -2.23 135.00 137.41 2k9a n PRO 86 Ca 0.05 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2k9a n PRO 86 Cb 0.33 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.39 3.00 -2.40 0.54 1.02 -1.26 -5.01 120.64 115.14 2k9a n GLU 87 Ca 0.07 -2.45 -0.38 0.00 -0.02 0.00 0.00 57.16 54.39 2k9a n GLU 87 Cb 0.18 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -1.77 3.16 -0.34 -0.32 5.36 -0.95 -5.03 117.98 118.09 2k9a s PHE 88 Ca 0.34 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.92 2k9a s PHE 88 Cb 0.23 -3.28 0.10 0.00 -0.34 0.00 0.00 43.02 39.73 2k9a s PHE 88 CO 0.14 -1.01 0.09 -0.80 -1.46 0.00 0.00 175.22 172.18 2k9a s ASN 89 N -1.32 4.38 0.61 6.13 -0.87 -1.26 -4.97 114.94 117.64 2k9a s ASN 89 Ca 0.57 -2.00 0.36 0.00 -1.57 0.00 0.00 52.86 50.22 2k9a s ASN 89 Cb -0.27 -1.27 2.00 0.00 -0.02 0.00 0.00 41.25 41.69 2k9a s ASN 89 CO 0.34 -0.38 2.27 -0.03 -2.57 0.00 0.00 177.10 176.72 2k9a h MET 90 N 7.72 0.00 0.25 -0.60 4.05 -1.98 -0.36 114.93 124.01 2k9a h MET 90 Ca -0.08 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2k9a h MET 90 Cb 1.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2k9a h MET 90 CO 0.50 0.02 -0.12 0.00 0.23 0.00 0.00 176.91 177.54 2k9a h ALA 91 N 1.98 -0.33 0.00 0.39 0.00 -2.00 -2.70 119.26 116.60 2k9a h ALA 91 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 91 Cb 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 91 CO 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 179.25 178.69 2k9a h ALA 92 N -0.77 1.20 0.26 0.00 0.00 -1.95 -2.69 119.26 115.31 2k9a h ALA 92 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 92 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k9a h ALA 92 CO 0.06 0.27 -0.13 0.35 0.00 0.00 0.00 179.25 179.80 2k9a h PHE 93 N 0.00 -0.32 -0.43 0.00 3.57 -1.14 -2.46 116.94 116.15 2k9a h PHE 93 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k9a h PHE 93 Cb 0.55 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2k9a h PHE 93 CO 0.00 0.04 0.28 1.79 -2.23 0.00 0.00 178.31 178.19 2k9a h THR 94 N -0.80 1.12 -0.47 4.41 1.35 -1.45 0.15 112.91 117.22 2k9a h THR 94 Ca -0.04 -0.25 0.05 0.00 -0.55 0.00 0.00 66.41 65.63 2k9a h THR 94 Cb 0.51 0.51 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 2k9a h THR 94 CO 0.06 0.12 0.20 0.71 -0.25 0.00 0.00 175.52 176.36 2k9a h THR 95 N 0.58 0.91 0.00 6.82 1.35 -1.55 -2.03 112.91 118.99 2k9a h THR 95 Ca 0.16 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.73 2k9a h THR 95 Cb -0.04 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 2k9a h THR 95 CO -0.03 0.07 -0.69 0.74 -0.25 0.00 0.00 175.52 175.36 2k9a h THR 96 N 0.41 1.47 -0.64 6.82 2.02 -1.22 -3.18 112.91 118.59 2k9a h THR 96 Ca 0.21 -2.39 -0.02 0.00 0.77 0.00 0.00 66.41 64.99 2k9a h THR 96 Cb 0.17 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2k9a h THR 96 CO -0.18 0.68 0.32 0.25 0.37 0.00 0.00 175.52 176.96 2k9a h LEU 97 N 0.00 0.80 -1.53 2.58 6.46 -0.00 -2.32 115.31 121.29 2k9a h LEU 97 Ca -0.01 -0.07 0.23 0.00 -0.12 0.00 0.00 57.88 57.91 2k9a h LEU 97 Cb 1.24 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.90 2k9a h LEU 97 CO 0.09 0.67 0.63 1.56 -0.62 0.00 0.00 178.44 180.76 2k9a h GLN 98 N 0.89 0.35 0.18 1.25 4.20 -1.41 0.39 115.11 120.97 2k9a h GLN 98 Ca 0.22 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.59 2k9a h GLN 98 Cb 0.06 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.78 2k9a h GLN 98 CO -0.03 0.23 -1.57 0.45 -0.67 0.00 0.00 178.83 177.24 2k9a h HIS 99 N 0.36 0.71 0.00 2.96 3.86 -1.61 -3.28 115.15 118.15 2k9a h HIS 99 Ca 0.50 -0.52 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2k9a h HIS 99 Cb 1.32 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2k9a h HIS 99 CO -0.00 1.61 0.00 0.72 0.86 0.00 0.00 177.93 181.12 2k9a n HIS 100 N -3.72 0.00 0.28 2.45 8.25 -0.21 -2.66 115.22 119.60 2k9a n HIS 100 Ca -0.23 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.39 2k9a n HIS 100 Cb 1.03 -0.11 0.82 0.00 1.12 0.00 0.00 29.99 32.84 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 3.64 -0.37 -0.36 116.57 119.07 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 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k9a h LYS 101 CO 0.00 0.07 0.00 -3.47 -2.27 0.00 0.00 179.45 173.78 2k9a n ASP 102 N -3.44 0.31 -0.05 4.20 2.03 -1.09 -4.03 116.55 114.48 2k9a n ASP 102 Ca -0.02 0.55 -0.08 0.00 0.52 0.00 0.00 54.79 55.76 2k9a n ASP 102 Cb 0.22 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k9a n GLU 103 N -1.81 0.38 -0.54 -0.67 2.13 -0.26 -5.04 120.64 114.82 2k9a n GLU 103 Ca 0.05 0.15 -0.30 0.00 0.66 0.00 0.00 57.16 57.72 2k9a n GLU 103 Cb 0.30 -1.17 0.28 0.00 0.27 0.00 0.00 31.44 31.12 2k9a n GLU 103 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2k9a s VAL 104 N -2.62 1.32 -0.40 6.31 -7.23 -0.50 -4.86 120.40 112.41 2k9a s VAL 104 Ca -0.21 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.68 2k9a s VAL 104 Cb 0.04 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 2k9a s VAL 104 CO 0.31 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.86 2k9a s ALA 105 N -2.45 2.73 0.44 1.32 0.00 -1.26 -4.85 121.76 117.68 2k9a s ALA 105 Ca 0.69 -0.00 0.13 0.00 0.00 0.00 0.00 51.96 52.78 2k9a s ALA 105 Cb -0.13 -4.07 0.98 0.00 0.00 0.00 0.00 23.12 19.90 2k9a s ALA 105 CO 0.58 -2.90 2.01 0.78 0.00 0.00 0.00 175.76 176.23 2k9a h GLY 106 N 14.14 0.10 1.66 0.00 0.00 -1.89 -2.27 103.07 114.80 2k9a h GLY 106 Ca -0.31 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 2k9a h GLY 106 CO 1.08 0.05 -0.30 -1.80 0.00 0.00 0.00 176.54 175.57 2k9a h ASP 107 N 0.10 0.40 0.01 0.19 3.58 -1.95 -0.82 116.42 117.92 2k9a h ASP 107 Ca 0.02 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 2k9a h ASP 107 Cb 0.25 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k9a h ASP 107 CO 0.02 0.69 -0.00 0.40 -2.88 0.00 0.00 179.24 177.46 2k9a h ILE 108 N 0.35 1.53 0.00 2.25 1.08 -1.82 -3.26 117.51 117.63 2k9a h ILE 108 Ca 0.05 -1.62 -0.06 0.00 -0.39 0.00 0.00 64.86 62.84 2k9a h ILE 108 Cb 0.71 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.07 2k9a h ILE 108 CO 0.05 0.42 -0.27 0.15 -0.69 0.00 0.00 178.15 177.81 2k9a h PHE 109 N -0.71 0.00 -1.11 1.37 3.57 -1.49 -2.75 116.94 115.82 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 0.69 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 109 CO 0.17 0.27 0.83 0.22 -2.23 0.00 0.00 178.31 177.58 2k9a h ASP 110 N 0.00 0.00 0.07 0.41 1.82 -1.18 0.64 116.42 118.18 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k9a h ASP 110 CO 0.04 0.00 -0.04 -0.03 -1.61 0.00 0.00 179.24 177.60 2k9a h MET 111 N 0.00 -0.10 0.00 0.28 4.05 -1.64 -3.18 114.93 114.35 2k9a h MET 111 Ca 0.53 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.19 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.01 2k9a h MET 111 CO -0.01 0.44 -0.08 -0.07 0.23 0.00 0.00 176.91 177.42 2k9a h LEU 112 N -0.72 0.00 -1.90 3.39 3.38 -0.70 -2.83 115.31 115.92 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2k9a h LEU 112 CO 0.02 0.08 0.62 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 0.13 0.10 115.31 123.06 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 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 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 -3.88 0.00 0.01 1.05 -2.24 -1.07 -2.45 114.28 105.70 2k9a n THR 114 Ca 0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2k9a n THR 114 Cb 0.87 -0.66 0.28 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.53 0.00 4.78 0.04 -1.06 -3.37 116.94 117.86 2k9a h PHE 115 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k9a h PHE 115 Cb 0.00 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2k9a h PHE 115 CO 0.00 0.57 -0.30 0.25 -0.60 0.00 0.00 178.31 178.23 2k9a n THR 116 N -4.24 0.00 -2.57 -1.55 -2.24 -1.12 -4.95 114.28 97.61 2k9a n THR 116 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2k9a n THR 116 Cb 0.29 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -0.69 6.80 0.56 3.42 1.11 -1.02 -4.76 116.67 122.08 2k9a s ASP 117 Ca 0.00 -2.41 0.24 0.00 0.18 0.00 0.00 52.55 50.56 2k9a s ASP 117 Cb 0.00 -2.58 1.57 0.00 1.07 0.00 0.00 42.92 42.98 2k9a s ASP 117 CO 0.00 -1.22 2.19 0.15 1.18 0.00 0.00 175.17 177.48 2k9a h PHE 118 N 7.67 0.00 -0.72 4.23 3.57 -1.89 -1.56 116.94 128.24 2k9a h PHE 118 Ca 0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 2k9a h PHE 118 Cb 0.87 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2k9a h PHE 118 CO 1.42 0.00 0.37 -0.07 -2.23 0.00 0.00 178.31 177.80 2k9a h LEU 119 N 0.00 0.92 -0.43 0.59 -0.00 -1.98 -1.84 115.31 112.58 2k9a h LEU 119 Ca 0.01 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.66 2k9a h LEU 119 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 2k9a h LEU 119 CO -0.00 0.77 -0.58 0.00 -0.00 0.00 0.00 178.44 178.64 2k9a h ALA 120 N 1.19 0.76 0.38 1.53 0.00 -1.71 -2.53 119.26 118.88 2k9a h ALA 120 Ca 0.25 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 120 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k9a h ALA 120 CO -0.04 0.72 -0.18 0.35 0.00 0.00 0.00 179.25 180.10 2k9a h PHE 121 N 0.00 -0.47 -0.57 0.00 3.57 -0.88 0.18 116.94 118.77 2k9a h PHE 121 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 121 Cb 1.26 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 2k9a h PHE 121 CO 0.00 -0.17 0.18 -0.22 -2.23 0.00 0.00 178.31 175.87 2k9a h LYS 122 N -0.75 0.89 0.00 1.11 1.63 -1.43 -2.33 116.57 115.69 2k9a h LYS 122 Ca -0.05 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.51 2k9a h LYS 122 Cb 0.51 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2k9a h LYS 122 CO 0.09 0.80 -0.23 1.49 -3.45 0.00 0.00 179.45 178.15 2k9a h GLU 123 N 0.80 0.00 -0.13 1.90 4.81 -1.43 -2.34 114.58 118.19 2k9a h GLU 123 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2k9a h GLU 123 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k9a h GLU 123 CO -0.01 0.23 0.00 1.98 -0.73 0.00 0.00 179.01 180.49 2k9a h MET 124 N 0.00 0.23 -0.56 1.92 4.05 -0.08 -1.37 114.93 119.12 2k9a h MET 124 Ca -0.00 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 124 Cb 0.43 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2k9a h MET 124 CO 0.03 0.47 0.10 0.74 0.23 0.00 0.00 176.91 178.47 2k9a h PHE 125 N -0.04 0.98 -0.56 1.39 0.04 -1.30 -1.10 116.94 116.36 2k9a h PHE 125 Ca 0.04 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2k9a h PHE 125 Cb 0.36 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 2k9a h PHE 125 CO 0.03 0.86 0.15 -0.07 -0.60 0.00 0.00 178.31 178.68 2k9a h LEU 126 N 0.82 0.79 -0.26 1.54 4.07 -1.39 -1.51 115.31 119.37 2k9a h LEU 126 Ca 0.17 -0.14 -0.20 0.00 0.08 0.00 0.00 57.88 57.79 2k9a h LEU 126 Cb 0.41 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2k9a h LEU 126 CO 0.01 0.77 -0.63 -0.78 -1.08 0.00 0.00 178.44 176.73 2k9a h ASP 127 N 0.82 0.96 0.38 -0.43 3.58 -1.04 -2.11 116.42 118.58 2k9a h ASP 127 Ca 0.18 -0.56 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 2k9a h ASP 127 Cb 0.28 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k9a h ASP 127 CO -0.00 1.36 -0.18 0.22 -2.88 0.00 0.00 179.24 177.75 2k9a h TYR 128 N 0.62 -0.47 -0.57 0.28 3.20 -0.94 -2.37 116.97 116.73 2k9a h TYR 128 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 128 Cb 1.25 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 2k9a h TYR 128 CO 0.08 -0.23 0.31 -0.09 -1.64 0.00 0.00 178.16 176.59 2k9a h ARG 129 N -0.61 0.78 -0.97 1.82 2.43 -1.36 -2.33 114.38 114.15 2k9a h ARG 129 Ca -0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2k9a h ARG 129 Cb 0.45 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 2k9a h ARG 129 CO 0.08 0.57 0.62 0.00 -1.51 0.00 0.00 179.97 179.74 2k9a h ALA 130 N 1.56 1.24 0.00 2.80 0.00 -1.19 -1.65 119.26 122.01 2k9a h ALA 130 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2k9a h ALA 130 Cb 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2k9a h ALA 130 CO -0.03 0.65 -0.19 1.49 0.00 0.00 0.00 179.25 181.17 2k9a h GLU 131 N 1.33 0.00 -0.55 0.00 4.81 -0.90 -3.04 114.58 116.23 2k9a h GLU 131 Ca 0.35 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 2k9a h GLU 131 Cb -0.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2k9a h GLU 131 CO -0.07 0.19 0.02 0.87 -0.73 0.00 0.00 179.01 179.29 2k9a h LYS 132 N 0.00 0.92 -0.01 1.92 1.79 -0.91 -2.32 116.57 117.97 2k9a h LYS 132 Ca -0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2k9a h LYS 132 Cb 0.82 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2k9a h LYS 132 CO 0.03 0.90 -0.14 -0.85 -1.08 0.00 0.00 179.45 178.31 2k9a n GLU 133 N -4.20 1.02 0.14 3.15 0.28 -1.16 -3.88 120.64 115.98 2k9a n GLU 133 Ca 0.03 -0.52 -0.01 0.00 -0.16 0.00 0.00 57.16 56.51 2k9a n GLU 133 Cb 0.31 -1.49 0.23 0.00 1.43 0.00 0.00 31.44 31.92 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2k9a h GLY 134 N 4.92 0.06 0.00 -1.84 0.00 -1.30 -3.46 103.07 101.44 2k9a h GLY 134 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2k9a h GLY 134 CO 0.00 0.06 0.00 -2.13 0.00 0.00 0.00 176.54 174.47 2k9a n ARG 135 N -3.92 0.00 0.00 4.80 0.63 -1.25 -5.12 116.66 111.80 2k9a n ARG 135 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2k9a n ARG 135 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53