#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 0.45 -4.61 7.83 9.92 -1.26 -5.05 116.55 123.83 2k9a n ASP 2 Ca 0.00 -1.17 -0.43 0.00 -0.53 0.00 0.00 54.79 52.66 2k9a n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a s ALA 3 N -0.17 3.08 0.00 2.24 0.00 -1.26 -4.75 121.76 120.90 2k9a s ALA 3 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2k9a s ALA 3 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2k9a s ALA 3 CO 0.00 -2.28 0.00 1.28 0.00 0.00 0.00 175.76 174.76 2k9a n LEU 4 N 9.13 0.00 -4.63 0.00 4.77 -1.26 -5.01 117.00 120.00 2k9a n LEU 4 Ca 0.20 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 2k9a n LEU 4 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2k9a n LEU 4 CO 0.67 0.00 0.66 -0.70 -1.33 0.00 0.00 177.39 176.70 2k9a s GLU 5 N -1.69 4.11 0.00 3.23 2.12 -1.26 -4.73 118.70 120.48 2k9a s GLU 5 Ca 0.00 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.18 2k9a s GLU 5 Cb 0.00 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2k9a s GLU 5 CO 0.00 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 2k9a n GLY 6 N 3.89 -0.04 2.92 -1.50 0.00 -1.26 -5.13 105.19 104.07 2k9a n GLY 6 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.35 0.06 -0.32 1.61 1.03 -1.26 -5.12 118.70 113.35 2k9a s GLU 7 Ca 0.00 0.13 0.03 0.00 0.03 0.00 0.00 54.97 55.16 2k9a s GLU 7 Cb 0.00 -0.02 0.16 0.00 -0.80 0.00 0.00 34.13 33.48 2k9a s GLU 7 CO 0.00 -0.04 0.43 -1.12 -1.33 0.00 0.00 175.26 173.20 2k9a s SER 8 N 0.25 0.36 0.00 0.83 0.01 -1.26 -4.96 113.70 108.93 2k9a s SER 8 Ca -0.02 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2k9a s SER 8 Cb -0.03 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2k9a s SER 8 CO -0.01 -0.31 0.00 0.49 0.41 0.00 0.00 173.24 173.82 2k9a n PHE 9 N 4.97 0.00 0.23 2.43 3.72 -1.26 -4.45 117.46 123.10 2k9a n PHE 9 Ca 0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.56 2k9a n PHE 9 Cb 0.49 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a n ALA 10 N -0.40 2.80 -0.04 4.37 0.00 -1.26 -4.58 120.51 121.39 2k9a n ALA 10 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 2k9a n ALA 10 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.40 1.48 -4.66 0.00 4.32 -1.26 -4.98 117.00 109.50 2k9a n LEU 11 Ca -0.00 0.24 -0.37 0.00 -0.02 0.00 0.00 56.01 55.86 2k9a n LEU 11 Cb 0.52 -0.55 -0.09 0.00 -1.62 0.00 0.00 43.42 41.68 2k9a n LEU 11 CO 0.41 -0.29 -0.15 -0.44 -1.22 0.00 0.00 177.39 175.70 2k9a s SER 12 N -6.06 6.14 0.06 -1.43 0.01 -1.26 -4.95 113.70 106.20 2k9a s SER 12 Ca -0.18 0.14 0.22 0.00 1.31 0.00 0.00 55.95 57.45 2k9a s SER 12 Cb 0.04 -2.12 -0.13 0.00 0.21 0.00 0.00 66.02 64.02 2k9a s SER 12 CO 0.26 0.05 0.81 0.49 0.41 0.00 0.00 173.24 175.26 2k9a n PHE 13 N 4.32 0.35 -1.32 2.43 3.72 -1.26 -4.14 117.46 121.56 2k9a n PHE 13 Ca -0.14 0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2k9a n PHE 13 Cb 0.52 -0.59 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 2k9a n PHE 13 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k9a n SER 14 N -2.26 -5.48 0.00 4.37 7.64 -1.26 -4.43 113.62 112.20 2k9a n SER 14 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2k9a n SER 14 Cb 0.52 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 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 -1.09 0.00 -0.02 6.43 7.64 -1.26 -4.82 113.62 120.50 2k9a n SER 15 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.64 2k9a n SER 15 Cb 0.58 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a h ALA 16 N 0.00 -0.05 -0.48 -0.43 0.00 -1.96 0.14 119.26 116.47 2k9a h ALA 16 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2k9a h ALA 16 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 16 CO 0.00 -0.16 0.17 -1.13 0.00 0.00 0.00 179.25 178.13 2k9a n SER 17 N -4.77 3.85 -3.87 0.00 3.41 -1.26 -4.52 113.62 106.45 2k9a n SER 17 Ca -0.08 -2.77 -0.24 0.00 -0.26 0.00 0.00 58.87 55.51 2k9a n SER 17 Cb 0.33 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.03 2.44 0.29 4.04 9.92 -1.24 -5.01 116.55 127.02 2k9a n ASP 18 Ca 0.26 -2.75 0.16 0.00 -0.53 0.00 0.00 54.79 51.93 2k9a n ASP 18 Cb 1.02 0.47 0.87 0.00 -0.64 0.00 0.00 41.12 42.84 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 1.32 1.23 -0.61 2.24 0.00 -1.91 -2.81 119.26 118.72 2k9a h ALA 19 Ca -0.31 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2k9a h ALA 19 Cb 1.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k9a h ALA 19 CO 0.50 0.07 0.31 1.49 0.00 0.00 0.00 179.25 181.63 2k9a h GLU 20 N 0.00 0.56 0.12 0.00 4.57 -1.91 -1.20 114.58 116.72 2k9a h GLU 20 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2k9a h GLU 20 Cb 0.22 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2k9a h GLU 20 CO 0.01 0.37 -0.06 0.35 -1.18 0.00 0.00 179.01 178.50 2k9a h PHE 21 N 0.58 -0.15 -0.69 0.92 3.04 -0.68 -2.47 116.94 117.49 2k9a h PHE 21 Ca 0.28 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.33 2k9a h PHE 21 Cb 0.21 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 2k9a h PHE 21 CO -0.10 -0.05 0.46 -0.44 -2.02 0.00 0.00 178.31 176.15 2k9a h ASP 22 N -0.20 0.48 0.12 0.41 3.32 -1.58 -2.01 116.42 116.96 2k9a h ASP 22 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k9a h ASP 22 Cb 0.16 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2k9a h ASP 22 CO 0.03 0.29 -0.06 0.00 -1.72 0.00 0.00 179.24 177.78 2k9a h ALA 23 N 1.65 -0.16 -0.63 3.45 0.00 -0.78 -2.48 119.26 120.32 2k9a h ALA 23 Ca 0.32 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2k9a h ALA 23 Cb 0.53 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2k9a h ALA 23 CO -0.10 -0.57 0.39 0.28 0.00 0.00 0.00 179.25 179.24 2k9a h VAL 24 N -0.19 1.08 -0.91 0.00 2.07 -1.06 -2.19 116.25 115.06 2k9a h VAL 24 Ca -0.02 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.36 2k9a h VAL 24 Cb 0.15 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 2k9a h VAL 24 CO 0.03 0.14 0.54 0.58 0.02 0.00 0.00 177.57 178.87 2k9a h VAL 25 N 0.77 0.87 -0.35 2.57 2.07 -1.23 -0.84 116.25 120.11 2k9a h VAL 25 Ca 0.25 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k9a h VAL 25 Cb 0.01 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2k9a h VAL 25 CO -0.10 0.15 0.16 1.23 0.02 0.00 0.00 177.57 179.03 2k9a h GLY 26 N 0.84 0.55 2.00 2.17 0.00 -0.94 -2.31 103.07 105.38 2k9a h GLY 26 Ca 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2k9a h GLY 26 CO -0.28 0.27 -0.16 -0.97 0.00 0.00 0.00 176.54 175.40 2k9a h TYR 27 N 0.43 0.00 -0.09 5.60 0.05 -1.02 -2.61 116.97 119.33 2k9a h TYR 27 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 2k9a h TYR 27 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 2k9a h TYR 27 CO -0.01 0.16 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.12 2k9a h LEU 28 N 0.00 0.22 -1.11 3.88 3.38 -0.67 -2.95 115.31 118.06 2k9a h LEU 28 Ca -0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k9a h LEU 28 Cb 0.35 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2k9a h LEU 28 CO 0.02 0.62 0.51 -0.33 0.09 0.00 0.00 178.44 179.35 2k9a h GLU 29 N -0.18 1.12 -0.27 1.13 5.08 -1.17 -0.83 114.58 119.45 2k9a h GLU 29 Ca 0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k9a h GLU 29 Cb 0.55 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k9a h GLU 29 CO 0.02 0.77 0.15 0.22 -1.00 0.00 0.00 179.01 179.17 2k9a h ASP 30 N 1.14 0.32 0.18 1.42 3.58 -1.44 -1.86 116.42 119.75 2k9a h ASP 30 Ca 0.30 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.49 2k9a h ASP 30 Cb -0.07 -0.08 0.03 0.00 1.72 0.00 0.00 39.33 40.93 2k9a h ASP 30 CO -0.06 0.25 -1.09 0.40 -2.88 0.00 0.00 179.24 175.87 2k9a h ILE 31 N 0.37 1.40 -0.05 2.25 2.04 -1.14 -2.73 117.51 119.65 2k9a h ILE 31 Ca 0.10 -2.58 0.01 0.00 1.00 0.00 0.00 64.86 63.39 2k9a h ILE 31 Cb 0.00 3.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2k9a h ILE 31 CO -0.02 0.75 0.04 0.40 0.00 0.00 0.00 178.15 179.32 2k9a h ILE 32 N -0.19 0.98 -0.27 -0.67 2.04 -0.87 -0.33 117.51 118.20 2k9a h ILE 32 Ca -0.19 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2k9a h ILE 32 Cb 1.83 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2k9a h ILE 32 CO 0.19 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.57 2k9a n MET 33 N -4.53 2.43 -2.37 2.37 2.81 -0.73 -4.75 117.12 112.36 2k9a n MET 33 Ca -0.02 -2.14 -0.41 0.00 -1.81 0.00 0.00 57.70 53.32 2k9a n MET 33 Cb 0.13 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 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 -1.65 7.07 0.15 7.83 2.15 -0.14 -4.94 116.67 127.14 2k9a s ASP 34 Ca 0.36 2.18 -0.16 0.00 0.43 0.00 0.00 52.55 55.35 2k9a s ASP 34 Cb 0.22 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 40.28 2k9a s ASP 34 CO 0.31 -0.42 1.78 0.44 -0.17 0.00 0.00 175.17 177.12 2k9a h ASP 35 N 5.77 0.29 0.14 -0.34 3.32 -1.90 -1.01 116.42 122.69 2k9a h ASP 35 Ca -0.44 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2k9a h ASP 35 Cb 1.21 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2k9a h ASP 35 CO 0.77 0.21 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.35 2k9a h GLU 36 N 0.40 0.00 0.10 3.56 4.22 -1.93 -0.98 114.58 119.94 2k9a h GLU 36 Ca 0.16 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.34 2k9a h GLU 36 Cb 0.05 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.33 2k9a h GLU 36 CO -0.10 0.07 -1.05 0.35 -2.18 0.00 0.00 179.01 176.10 2k9a h PHE 37 N 0.00 0.87 -0.33 0.92 3.57 -1.52 -2.48 116.94 117.97 2k9a h PHE 37 Ca -0.00 -0.54 -0.13 0.00 3.53 0.00 0.00 57.97 60.83 2k9a h PHE 37 Cb 0.16 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2k9a h PHE 37 CO 0.00 1.39 -0.32 1.96 -2.23 0.00 0.00 178.31 179.11 2k9a h GLN 38 N 0.11 0.71 -0.13 1.11 4.20 -0.75 -0.47 115.11 119.89 2k9a h GLN 38 Ca -0.16 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.19 2k9a h GLN 38 Cb 1.75 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.52 2k9a h GLN 38 CO 0.20 0.94 -0.05 1.25 -0.67 0.00 0.00 178.83 180.50 2k9a h LEU 39 N 0.60 0.26 -0.02 1.46 6.46 -1.27 -1.97 115.31 120.84 2k9a h LEU 39 Ca 0.07 -0.39 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2k9a h LEU 39 Cb 0.84 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2k9a h LEU 39 CO 0.07 0.59 -0.00 0.25 -0.62 0.00 0.00 178.44 178.73 2k9a h LEU 40 N -0.07 0.03 0.13 2.25 6.46 -1.43 -0.72 115.31 121.97 2k9a h LEU 40 Ca 0.03 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 2k9a h LEU 40 Cb 0.49 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2k9a h LEU 40 CO 0.02 0.35 -0.23 -0.61 -0.62 0.00 0.00 178.44 177.34 2k9a h GLN 41 N -0.28 -0.42 -0.72 1.25 4.15 -1.14 -2.26 115.11 115.69 2k9a h GLN 41 Ca 0.01 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2k9a h GLN 41 Cb 0.33 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2k9a h GLN 41 CO 0.00 -0.28 0.27 0.00 -1.93 0.00 0.00 178.83 176.89 2k9a h ARG 42 N -0.44 1.07 -0.38 1.69 3.08 -1.41 -1.08 114.38 116.92 2k9a h ARG 42 Ca 0.02 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 59.95 2k9a h ARG 42 Cb 0.45 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 2k9a h ARG 42 CO -0.12 0.88 0.02 -0.97 -1.07 0.00 0.00 179.97 178.71 2k9a h ASN 43 N 1.04 -0.12 -0.02 7.04 -0.73 -0.73 -1.72 115.58 120.34 2k9a h ASN 43 Ca 0.24 0.08 -0.25 0.00 1.87 0.00 0.00 56.30 58.24 2k9a h ASN 43 Cb 0.22 0.14 0.02 0.00 0.27 0.00 0.00 38.32 38.97 2k9a h ASN 43 CO -0.02 -0.02 -0.95 -0.26 -0.37 0.00 0.00 177.43 175.81 2k9a h PHE 44 N 0.12 1.00 -0.17 0.67 -1.00 -1.27 -3.19 116.94 113.11 2k9a h PHE 44 Ca 0.18 -0.53 0.05 0.00 2.81 0.00 0.00 57.97 60.48 2k9a h PHE 44 Cb 0.25 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 2k9a h PHE 44 CO -0.24 1.36 0.21 0.52 -1.61 0.00 0.00 178.31 178.55 2k9a h MET 45 N 0.35 0.00 -0.17 1.51 2.86 -0.89 -0.31 114.93 118.28 2k9a h MET 45 Ca -0.11 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2k9a h MET 45 Cb 1.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2k9a h MET 45 CO 0.19 0.00 0.12 -0.44 1.06 0.00 0.00 176.91 177.83 2k9a h ASP 46 N 0.00 0.11 0.11 1.22 3.32 -1.30 -1.06 116.42 118.81 2k9a h ASP 46 Ca 0.08 -0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.76 2k9a h ASP 46 Cb 0.50 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2k9a h ASP 46 CO -0.00 0.08 -2.15 1.17 -1.72 0.00 0.00 179.24 176.61 2k9a n LYS 47 N -4.51 0.71 0.10 3.56 0.00 -0.16 -4.22 118.16 113.64 2k9a n LYS 47 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 58.31 58.40 2k9a n LYS 47 Cb 0.16 -1.65 -0.08 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 -0.17 0.00 5.64 -1.99 -1.23 -2.10 116.97 117.16 2k9a h TYR 48 Ca -0.47 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 2k9a h TYR 48 Cb 2.00 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.79 2k9a h TYR 48 CO 0.05 -0.06 0.03 0.10 -0.00 0.00 0.00 178.16 178.29 2k9a h TYR 49 N -0.24 0.00 0.04 4.88 -0.00 -1.42 -1.96 116.97 118.27 2k9a h TYR 49 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.62 2k9a h TYR 49 Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.92 2k9a h TYR 49 CO -0.05 0.00 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.58 2k9a h LEU 50 N 0.00 0.13 -1.30 0.10 3.38 -1.56 -3.34 115.31 112.71 2k9a h LEU 50 Ca 0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 2k9a h LEU 50 Cb 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2k9a h LEU 50 CO 0.00 1.20 0.28 -0.33 0.09 0.00 0.00 178.44 179.68 2k9a h GLU 51 N -0.81 0.75 -5.88 1.13 5.08 -1.00 -3.36 114.58 110.49 2k9a h GLU 51 Ca -0.10 -0.08 -0.47 0.00 -1.00 0.00 0.00 59.36 57.71 2k9a h GLU 51 Cb 1.24 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 2k9a h GLU 51 CO 0.01 0.57 1.24 -0.06 -1.00 0.00 0.00 179.01 179.77 2k9a s PHE 52 N -5.47 2.23 0.08 4.33 0.40 -0.89 -4.96 117.98 113.69 2k9a s PHE 52 Ca -0.09 -0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 55.79 2k9a s PHE 52 Cb 0.17 -4.39 -0.07 0.00 0.51 0.00 0.00 43.02 39.24 2k9a s PHE 52 CO 0.77 -1.79 0.60 -2.00 0.70 0.00 0.00 175.22 173.50 2k9a s GLU 53 N 5.81 4.26 -0.70 0.44 2.56 -1.26 -4.85 118.70 124.97 2k9a s GLU 53 Ca 0.58 0.79 -0.26 0.00 0.00 0.00 0.00 54.97 56.09 2k9a s GLU 53 Cb -0.02 -3.25 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 2k9a s GLU 53 CO -0.03 0.60 2.00 0.16 -0.56 0.00 0.00 175.26 177.43 2k9a s ASP 54 N -1.00 5.02 0.27 -1.70 1.47 -1.26 -4.89 116.67 114.56 2k9a s ASP 54 Ca 0.30 0.10 0.06 0.00 1.18 0.00 0.00 52.55 54.19 2k9a s ASP 54 Cb -0.20 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.82 2k9a s ASP 54 CO 0.20 -2.67 0.22 0.35 0.68 0.00 0.00 175.17 173.95 2k9a n THR 55 N 7.63 0.00 -0.04 2.11 -2.24 -1.26 -5.07 114.28 115.41 2k9a n THR 55 Ca 0.30 -1.94 -0.02 0.00 -2.27 0.00 0.00 64.05 60.12 2k9a n THR 55 Cb 0.50 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 2k9a n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a n GLU 56 N -0.51 1.66 -3.12 -0.78 1.02 -1.26 -4.98 120.64 112.68 2k9a n GLU 56 Ca 0.06 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 2k9a n GLU 56 Cb 0.48 -1.29 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.43 4.39 0.48 3.49 2.56 -1.26 -5.07 118.70 120.86 2k9a s GLU 57 Ca -0.05 0.87 -0.06 0.00 0.00 0.00 0.00 54.97 55.73 2k9a s GLU 57 Cb 0.05 -3.34 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 2k9a s GLU 57 CO 0.48 0.36 0.81 -0.80 -0.56 0.00 0.00 175.26 175.54 2k9a s ASN 58 N -0.22 6.29 0.17 -1.70 -0.87 -1.26 -5.10 114.94 112.26 2k9a s ASN 58 Ca 0.34 1.00 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 2k9a s ASN 58 Cb -0.19 -2.28 -0.05 0.00 -0.02 0.00 0.00 41.25 38.71 2k9a s ASN 58 CO 0.20 -0.58 -0.03 -0.54 -2.57 0.00 0.00 177.10 173.57 2k9a s LYS 59 N -4.66 1.13 0.25 -0.60 1.02 -1.26 -5.04 119.74 110.59 2k9a s LYS 59 Ca 0.49 -1.53 0.25 0.00 0.02 0.00 0.00 55.97 55.20 2k9a s LYS 59 Cb -0.10 -0.45 0.70 0.00 -0.52 0.00 0.00 37.83 37.46 2k9a s LYS 59 CO 0.44 -0.06 1.73 -0.07 -0.92 0.00 0.00 175.35 176.47 2k9a h LEU 60 N 2.68 0.00 -2.45 3.17 -0.00 -2.04 -3.23 115.31 113.45 2k9a h LEU 60 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2k9a h LEU 60 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2k9a h LEU 60 CO 0.64 0.00 0.00 -0.29 -0.00 0.00 0.00 178.44 178.79 2k9a h ILE 61 N 0.00 0.00 0.00 1.22 6.09 -2.02 -1.46 117.51 121.34 2k9a h ILE 61 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2k9a h ILE 61 Cb 0.79 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.22 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 0.07 2.19 0.05 -1.99 -2.83 116.97 114.46 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 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 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 1.14 -0.57 -2.88 2.02 -1.51 -2.49 112.91 108.62 2k9a h THR 63 Ca 0.00 -1.46 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 2k9a h THR 63 Cb 0.49 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2k9a h THR 63 CO 0.00 0.32 -0.01 1.55 0.37 0.00 0.00 175.52 177.76 2k9a h PRO 64 N -0.84 0.98 -0.54 6.66 0.13 -1.70 -2.20 132.00 134.49 2k9a h PRO 64 Ca -0.01 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2k9a h PRO 64 Cb 0.61 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 2k9a h PRO 64 CO 0.02 0.97 0.30 0.82 -0.23 0.00 0.00 178.00 179.88 2k9a h ILE 65 N 0.90 1.18 -0.39 -3.56 2.04 -1.62 -1.92 117.51 114.15 2k9a h ILE 65 Ca 0.16 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2k9a h ILE 65 Cb 0.53 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2k9a h ILE 65 CO 0.03 0.19 0.18 0.15 0.00 0.00 0.00 178.15 178.69 2k9a h PHE 66 N 0.73 0.57 -0.60 1.37 3.57 -1.31 -2.18 116.94 119.09 2k9a h PHE 66 Ca 0.19 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2k9a h PHE 66 Cb 0.04 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2k9a h PHE 66 CO -0.02 0.48 0.40 -0.91 -2.23 0.00 0.00 178.31 176.03 2k9a h ASN 67 N 0.48 0.55 0.08 0.41 2.35 -1.14 -1.15 115.58 117.16 2k9a h ASN 67 Ca 0.13 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 2k9a h ASN 67 Cb 0.14 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2k9a h ASN 67 CO -0.01 0.37 -0.53 -0.08 -1.65 0.00 0.00 177.43 175.52 2k9a h GLU 68 N 0.63 0.49 -0.24 0.81 4.57 -0.94 -2.09 114.58 117.80 2k9a h GLU 68 Ca 0.25 -0.30 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2k9a h GLU 68 Cb 0.20 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2k9a h GLU 68 CO -0.07 0.90 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.50 2k9a h TYR 69 N 0.38 0.49 -0.06 0.92 3.20 -0.62 -0.99 116.97 120.29 2k9a h TYR 69 Ca 0.01 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 2k9a h TYR 69 Cb 1.05 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.21 2k9a h TYR 69 CO 0.04 0.65 -0.41 0.82 -1.64 0.00 0.00 178.16 177.62 2k9a h ILE 70 N 0.39 1.42 -0.02 1.81 1.08 -1.24 0.16 117.51 121.13 2k9a h ILE 70 Ca 0.06 -1.83 -0.08 0.00 -0.39 0.00 0.00 64.86 62.61 2k9a h ILE 70 Cb 0.63 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 2k9a h ILE 70 CO 0.05 0.53 -0.37 0.28 -0.69 0.00 0.00 178.15 177.95 2k9a h SER 71 N -0.12 0.03 0.00 1.72 0.02 -1.31 0.23 113.55 114.13 2k9a h SER 71 Ca -0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k9a h SER 71 Cb 1.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k9a h SER 71 CO 0.08 0.41 -0.33 -0.11 -1.14 0.00 0.00 176.83 175.74 2k9a n LEU 72 N -4.09 1.16 0.12 5.07 -0.00 -0.38 -4.16 117.00 114.72 2k9a n LEU 72 Ca -0.02 0.50 -0.06 0.00 -0.00 0.00 0.00 56.01 56.43 2k9a n LEU 72 Cb 0.41 -0.74 -0.03 0.00 -0.00 0.00 0.00 43.42 43.07 2k9a n LEU 72 CO 0.39 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.04 2k9a h VAL 73 N -0.64 0.00 -0.84 1.96 2.07 -0.82 -2.21 116.25 115.77 2k9a h VAL 73 Ca 0.00 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.04 2k9a h VAL 73 Cb 0.33 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.00 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 -1.03 0.57 -0.13 1.57 4.22 -1.11 0.30 114.58 118.97 2k9a h GLU 74 Ca -0.04 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.24 2k9a h GLU 74 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2k9a h GLU 74 CO 0.07 0.38 -0.48 -0.22 -2.18 0.00 0.00 179.01 176.58 2k9a h LYS 75 N 0.59 0.34 -0.49 1.92 3.11 -1.08 -2.73 116.57 118.23 2k9a h LYS 75 Ca 0.47 -0.19 -0.06 0.00 -2.81 0.00 0.00 60.65 58.06 2k9a h LYS 75 Cb 0.68 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 2k9a h LYS 75 CO -0.38 0.75 0.07 -0.92 -2.81 0.00 0.00 179.45 176.16 2k9a h TYR 76 N 0.28 0.79 -0.07 1.91 3.20 -0.30 0.13 116.97 122.90 2k9a h TYR 76 Ca 0.02 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 2k9a h TYR 76 Cb 0.94 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2k9a h TYR 76 CO 0.02 0.70 -0.15 0.82 -1.64 0.00 0.00 178.16 177.91 2k9a h ILE 77 N 0.73 1.41 -0.30 1.81 2.04 -1.22 -2.27 117.51 119.71 2k9a h ILE 77 Ca 0.15 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 2k9a h ILE 77 Cb 0.34 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2k9a h ILE 77 CO 0.01 0.41 -0.17 -0.08 0.00 0.00 0.00 178.15 178.31 2k9a h GLU 78 N -0.24 0.53 -0.06 2.37 4.81 -1.39 -2.30 114.58 118.30 2k9a h GLU 78 Ca 0.00 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2k9a h GLU 78 Cb 0.73 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 2k9a h GLU 78 CO 0.03 0.69 -0.08 1.05 -0.73 0.00 0.00 179.01 179.97 2k9a h GLU 79 N 0.48 0.15 0.00 1.92 4.11 -1.00 -2.29 114.58 117.95 2k9a h GLU 79 Ca 0.08 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2k9a h GLU 79 Cb 0.58 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k9a h GLU 79 CO 0.04 0.64 -0.14 1.96 0.07 0.00 0.00 179.01 181.58 2k9a h GLN 80 N -0.32 0.00 0.12 1.06 1.08 -1.37 -2.06 115.11 113.61 2k9a h GLN 80 Ca 0.01 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.92 2k9a h GLN 80 Cb 0.62 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.08 2k9a h GLN 80 CO 0.02 0.14 -1.21 -0.07 -0.95 0.00 0.00 178.83 176.76 2k9a h LEU 81 N 0.00 0.86 -1.40 1.46 3.38 -1.39 -3.25 115.31 114.97 2k9a h LEU 81 Ca -0.00 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 57.11 2k9a h LEU 81 Cb 0.27 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k9a h LEU 81 CO 0.02 1.60 -0.15 -0.07 0.09 0.00 0.00 178.44 179.93 2k9a h LEU 82 N 0.23 0.00 -2.12 1.67 -0.00 -1.11 -2.55 115.31 111.44 2k9a h LEU 82 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2k9a h LEU 82 Cb 1.89 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.55 2k9a h LEU 82 CO 0.23 0.15 0.19 1.56 -0.00 0.00 0.00 178.44 180.57 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.41 -1.82 115.11 117.20 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 0.02 0.00 -1.03 -2.13 -0.67 0.00 0.00 178.83 175.02 2k9a n ARG 84 N -2.78 0.04 -3.78 1.46 0.63 -1.04 -4.94 116.66 106.24 2k9a n ARG 84 Ca -0.02 -0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.60 2k9a n ARG 84 Cb 0.24 -1.02 -0.15 0.00 0.45 0.00 0.00 32.46 31.99 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k9a s ILE 85 N -2.05 1.22 -0.96 5.15 1.01 -0.69 -4.97 121.20 119.92 2k9a s ILE 85 Ca -0.00 -1.78 0.22 0.00 0.00 0.00 0.00 60.65 59.09 2k9a s ILE 85 Cb 0.00 -1.90 0.19 0.00 0.01 0.00 0.00 42.46 40.76 2k9a s ILE 85 CO 0.03 -0.70 1.71 -0.81 0.00 0.00 0.00 174.94 175.17 2k9a n PRO 86 N 4.50 0.02 -0.35 2.79 -0.04 -1.23 -2.59 135.00 138.11 2k9a n PRO 86 Ca 0.01 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2k9a n PRO 86 Cb 0.41 -1.53 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.58 2.99 -1.88 0.54 -0.58 -1.26 -5.03 120.64 113.85 2k9a n GLU 87 Ca 0.05 -2.51 -0.37 0.00 -0.42 0.00 0.00 57.16 53.91 2k9a n GLU 87 Cb 0.27 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -1.97 2.32 -0.54 -0.32 5.36 -1.07 -5.00 117.98 116.77 2k9a s PHE 88 Ca 0.35 1.45 0.04 0.00 -0.96 0.00 0.00 56.93 57.81 2k9a s PHE 88 Cb 0.25 -3.65 0.17 0.00 -0.34 0.00 0.00 43.02 39.44 2k9a s PHE 88 CO 0.13 -2.59 0.40 -0.80 -1.46 0.00 0.00 175.22 170.90 2k9a s ASN 89 N -1.26 2.98 0.55 6.13 -0.87 -1.26 -4.93 114.94 116.28 2k9a s ASN 89 Ca 0.75 -3.38 0.33 0.00 -1.57 0.00 0.00 52.86 48.99 2k9a s ASN 89 Cb -0.36 -0.97 1.46 0.00 -0.02 0.00 0.00 41.25 41.36 2k9a s ASN 89 CO 0.41 -0.14 2.03 -0.03 -2.57 0.00 0.00 177.10 176.79 2k9a h MET 90 N 5.59 0.00 0.39 -0.60 4.05 -1.98 -1.95 114.93 120.44 2k9a h MET 90 Ca 0.20 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2k9a h MET 90 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2k9a h MET 90 CO 0.52 0.05 -0.19 0.00 0.23 0.00 0.00 176.91 177.52 2k9a h ALA 91 N 1.95 -0.53 0.00 0.39 0.00 -2.00 -0.87 119.26 118.20 2k9a h ALA 91 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 91 Cb 0.46 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k9a h ALA 91 CO 0.01 -0.65 -0.39 0.00 0.00 0.00 0.00 179.25 178.22 2k9a h ALA 92 N -0.37 0.96 -0.12 0.00 0.00 -1.98 -2.74 119.26 115.01 2k9a h ALA 92 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2k9a h ALA 92 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k9a h ALA 92 CO 0.09 0.48 -0.11 0.35 0.00 0.00 0.00 179.25 180.06 2k9a h PHE 93 N 0.00 0.35 -0.34 0.00 3.57 -1.32 -2.59 116.94 116.61 2k9a h PHE 93 Ca -0.00 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 2k9a h PHE 93 Cb 0.94 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2k9a h PHE 93 CO 0.00 0.70 0.03 1.79 -2.23 0.00 0.00 178.31 178.60 2k9a h THR 94 N -0.09 1.25 -0.75 4.41 1.35 -1.15 -0.15 112.91 117.77 2k9a h THR 94 Ca 0.02 -0.89 0.07 0.00 -0.55 0.00 0.00 66.41 65.06 2k9a h THR 94 Cb 0.63 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 2k9a h THR 94 CO 0.03 0.30 0.43 0.74 -0.25 0.00 0.00 175.52 176.77 2k9a h THR 95 N 0.41 0.96 0.00 6.82 2.02 -1.53 -1.66 112.91 119.93 2k9a h THR 95 Ca 0.10 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.85 2k9a h THR 95 Cb 0.40 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2k9a h THR 95 CO 0.01 0.14 -0.79 0.74 0.37 0.00 0.00 175.52 175.99 2k9a h THR 96 N 0.77 1.56 -0.44 3.16 2.02 -1.35 -3.22 112.91 115.41 2k9a h THR 96 Ca 0.34 -2.73 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 2k9a h THR 96 Cb 0.24 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2k9a h THR 96 CO -0.20 0.78 0.10 0.25 0.37 0.00 0.00 175.52 176.82 2k9a h LEU 97 N 0.00 0.61 -0.98 2.58 6.46 -0.11 0.42 115.31 124.28 2k9a h LEU 97 Ca -0.01 -0.10 0.21 0.00 -0.12 0.00 0.00 57.88 57.86 2k9a h LEU 97 Cb 1.42 -0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 41.07 2k9a h LEU 97 CO 0.10 0.61 0.58 1.56 -0.62 0.00 0.00 178.44 180.67 2k9a h GLN 98 N 0.65 0.64 0.00 1.25 4.20 -1.40 0.27 115.11 120.71 2k9a h GLN 98 Ca 0.15 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.25 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 2k9a h GLN 98 CO -0.00 0.42 -2.28 -2.39 -0.67 0.00 0.00 178.83 173.92 2k9a n HIS 99 N -4.84 0.05 0.84 2.96 1.44 -1.10 -4.17 115.22 110.40 2k9a n HIS 99 Ca 0.24 0.02 0.08 0.00 -2.01 0.00 0.00 57.72 56.05 2k9a n HIS 99 Cb 0.63 -0.91 0.44 0.00 0.12 0.00 0.00 29.99 30.27 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.67 0.00 0.28 -1.40 -0.00 0.12 -2.63 115.22 108.92 2k9a n HIS 100 Ca -0.26 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.58 2k9a n HIS 100 Cb 1.04 -0.24 0.57 0.00 -0.00 0.00 0.00 29.99 31.36 2k9a n HIS 100 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 2.10 -1.13 -1.10 116.57 118.01 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k9a h LYS 101 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2k9a h LYS 101 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.98 2k9a n ASP 102 N -2.31 0.00 0.01 7.07 -0.08 -1.08 -4.07 116.55 116.09 2k9a n ASP 102 Ca 0.00 0.49 -0.02 0.00 -1.51 0.00 0.00 54.79 53.75 2k9a n ASP 102 Cb 0.14 -0.49 -0.01 0.00 2.34 0.00 0.00 41.12 43.10 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k9a n GLU 103 N -1.49 0.12 -0.73 -0.67 1.02 -0.45 -5.05 120.64 113.38 2k9a n GLU 103 Ca 0.05 0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.93 2k9a n GLU 103 Cb 0.22 -0.62 0.17 0.00 -0.02 0.00 0.00 31.44 31.20 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k9a s VAL 104 N -1.95 2.18 -0.42 2.62 0.11 -1.02 -4.79 120.40 117.12 2k9a s VAL 104 Ca -0.06 0.06 -0.32 0.00 -2.93 0.00 0.00 61.98 58.72 2k9a s VAL 104 Cb 0.01 -2.13 -0.11 0.00 -1.53 0.00 0.00 36.38 32.62 2k9a s VAL 104 CO 0.09 -0.07 2.28 0.00 -3.33 0.00 0.00 175.10 174.07 2k9a n ALA 105 N -4.26 1.03 0.15 1.54 0.00 -1.26 -4.80 120.51 112.92 2k9a n ALA 105 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.31 2k9a n ALA 105 Cb 0.52 -2.67 0.32 0.00 0.00 0.00 0.00 19.45 17.63 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 13.85 0.10 1.46 0.00 0.00 -1.87 -2.72 103.07 113.89 2k9a h GLY 106 Ca -0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2k9a h GLY 106 CO 1.07 0.08 0.03 -0.55 0.00 0.00 0.00 176.54 177.17 2k9a h ASP 107 N 0.08 0.63 0.01 0.19 5.19 -1.94 0.11 116.42 120.68 2k9a h ASP 107 Ca 0.01 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2k9a h ASP 107 Cb 0.67 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2k9a h ASP 107 CO 0.05 0.68 -0.00 0.40 -3.12 0.00 0.00 179.24 177.24 2k9a h ILE 108 N 0.64 1.47 0.00 0.35 1.08 -1.88 -3.21 117.51 115.96 2k9a h ILE 108 Ca 0.13 -1.45 -0.05 0.00 -0.39 0.00 0.00 64.86 63.11 2k9a h ILE 108 Cb 0.35 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.54 2k9a h ILE 108 CO 0.01 0.37 -0.23 0.15 -0.69 0.00 0.00 178.15 177.76 2k9a h PHE 109 N -0.63 0.00 -1.07 1.37 3.57 -1.42 -2.66 116.94 116.09 2k9a h PHE 109 Ca -0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 109 Cb 0.62 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 2k9a h PHE 109 CO 0.14 0.23 0.73 0.22 -2.23 0.00 0.00 178.31 177.40 2k9a h ASP 110 N 0.00 0.22 -0.09 0.41 3.58 -0.78 0.33 116.42 120.09 2k9a h ASP 110 Ca -0.00 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2k9a h ASP 110 Cb 0.44 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k9a h ASP 110 CO 0.03 0.04 -0.30 -0.03 -2.88 0.00 0.00 179.24 176.11 2k9a h MET 111 N 0.20 0.36 0.00 0.28 4.05 -1.60 -3.11 114.93 115.11 2k9a h MET 111 Ca 0.56 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2k9a h MET 111 Cb 1.80 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.64 2k9a h MET 111 CO -0.15 0.89 -0.05 -0.07 0.23 0.00 0.00 176.91 177.76 2k9a h LEU 112 N -0.10 0.00 -1.86 3.39 3.38 -0.59 -2.78 115.31 116.74 2k9a h LEU 112 Ca -0.01 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.18 2k9a h LEU 112 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2k9a h LEU 112 CO 0.06 0.05 0.68 -0.07 0.09 0.00 0.00 178.44 179.25 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.76 0.04 115.31 119.65 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k9a h LEU 113 CO 0.01 0.00 0.05 0.35 0.09 0.00 0.00 178.44 178.94 2k9a n THR 114 N -3.85 0.66 -0.02 0.22 -2.24 -1.05 -1.07 114.28 106.93 2k9a n THR 114 Ca 0.16 0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 62.14 2k9a n THR 114 Cb 0.95 -1.22 0.26 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.59 0.00 4.78 0.04 -1.26 -3.41 116.94 117.68 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 0.10 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2k9a h PHE 115 CO 0.00 0.60 0.00 0.25 -0.60 0.00 0.00 178.31 178.56 2k9a n THR 116 N -4.25 0.00 -1.65 -1.55 -2.24 -0.77 -5.02 114.28 98.80 2k9a n THR 116 Ca 0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 2k9a n THR 116 Cb 0.27 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.87 3.87 0.48 3.42 1.11 -0.23 -4.73 116.67 119.73 2k9a s ASP 117 Ca 0.00 -0.49 0.16 0.00 0.18 0.00 0.00 52.55 52.40 2k9a s ASP 117 Cb 0.00 -2.57 1.18 0.00 1.07 0.00 0.00 42.92 42.60 2k9a s ASP 117 CO 0.00 -4.09 2.05 0.15 1.18 0.00 0.00 175.17 174.46 2k9a h PHE 118 N 12.00 0.19 -0.54 4.23 3.57 -1.90 0.06 116.94 134.55 2k9a h PHE 118 Ca 0.03 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 118 Cb 1.00 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2k9a h PHE 118 CO 1.11 0.10 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.14 2k9a h LEU 119 N 0.19 1.00 -0.43 0.59 -0.00 -1.97 -2.30 115.31 112.40 2k9a h LEU 119 Ca 0.16 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.88 57.58 2k9a h LEU 119 Cb 0.39 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 2k9a h LEU 119 CO -0.03 1.11 -0.55 0.00 -0.00 0.00 0.00 178.44 178.97 2k9a h ALA 120 N 0.93 0.77 0.29 1.53 0.00 -1.57 -2.37 119.26 118.82 2k9a h ALA 120 Ca 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 120 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k9a h ALA 120 CO 0.04 0.69 -0.14 0.35 0.00 0.00 0.00 179.25 180.20 2k9a h PHE 121 N 0.00 -0.36 -0.34 0.00 3.57 -0.83 -1.29 116.94 117.69 2k9a h PHE 121 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.24 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2k9a h PHE 121 CO 0.00 -0.02 0.07 -0.22 -2.23 0.00 0.00 178.31 175.91 2k9a h LYS 122 N -0.75 0.55 -0.06 1.11 3.64 -1.50 -2.51 116.57 117.05 2k9a h LYS 122 Ca -0.04 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2k9a h LYS 122 Cb 0.50 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2k9a h LYS 122 CO 0.06 0.61 0.04 1.49 -2.27 0.00 0.00 179.45 179.39 2k9a h GLU 123 N 0.39 0.01 -0.15 1.90 4.81 -1.48 -1.19 114.58 118.88 2k9a h GLU 123 Ca 0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2k9a h GLU 123 Cb 0.32 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 123 CO 0.00 0.00 -0.04 1.98 -0.73 0.00 0.00 179.01 180.23 2k9a h MET 124 N 0.01 0.29 0.03 1.92 4.05 -0.79 -1.78 114.93 118.64 2k9a h MET 124 Ca 0.03 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2k9a h MET 124 Cb 0.10 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2k9a h MET 124 CO -0.00 0.58 -0.01 0.74 0.23 0.00 0.00 176.91 178.44 2k9a h PHE 125 N -0.02 -0.04 -0.84 1.39 0.04 -1.16 -1.87 116.94 114.44 2k9a h PHE 125 Ca 0.04 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2k9a h PHE 125 Cb 0.47 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 2k9a h PHE 125 CO 0.05 0.31 0.55 -0.07 -0.60 0.00 0.00 178.31 178.55 2k9a h LEU 126 N -0.39 0.73 -0.62 1.54 4.07 -1.30 -0.56 115.31 118.79 2k9a h LEU 126 Ca -0.00 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 2k9a h LEU 126 Cb 0.36 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2k9a h LEU 126 CO 0.01 0.44 -0.36 -0.78 -1.08 0.00 0.00 178.44 176.66 2k9a h ASP 127 N 0.81 0.72 -0.43 -0.43 1.82 -1.23 -2.32 116.42 115.36 2k9a h ASP 127 Ca 0.39 -0.31 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2k9a h ASP 127 Cb 0.42 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 2k9a h ASP 127 CO -0.16 1.01 0.27 0.22 -1.61 0.00 0.00 179.24 178.97 2k9a h TYR 128 N 0.57 0.56 -0.16 0.28 3.20 -0.27 -2.21 116.97 118.95 2k9a h TYR 128 Ca 0.06 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 128 Cb 0.88 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2k9a h TYR 128 CO 0.04 0.38 -0.28 -0.09 -1.64 0.00 0.00 178.16 176.57 2k9a h ARG 129 N 0.58 0.30 -0.71 1.82 2.43 -1.30 -2.76 114.38 114.73 2k9a h ARG 129 Ca 0.16 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2k9a h ARG 129 Cb -0.02 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2k9a h ARG 129 CO -0.03 0.56 0.39 0.00 -1.51 0.00 0.00 179.97 179.38 2k9a h ALA 130 N 1.45 1.35 -0.05 2.80 0.00 -0.83 -1.67 119.26 122.31 2k9a h ALA 130 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k9a h ALA 130 Cb 0.64 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k9a h ALA 130 CO 0.05 0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.68 2k9a h GLU 131 N 0.99 0.06 0.00 0.00 4.39 -1.13 -0.82 114.58 118.07 2k9a h GLU 131 Ca 0.25 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2k9a h GLU 131 Cb 0.02 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k9a h GLU 131 CO -0.04 0.15 -0.01 0.87 -1.16 0.00 0.00 179.01 178.82 2k9a h LYS 132 N 0.06 0.00 -0.13 2.33 1.79 -1.33 -1.91 116.57 117.39 2k9a h LYS 132 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k9a h LYS 132 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2k9a h LYS 132 CO 0.01 0.01 0.00 0.39 -1.08 0.00 0.00 179.45 178.78 2k9a n GLU 133 N -3.11 2.18 -0.61 3.15 1.02 -0.33 -4.18 120.64 118.76 2k9a n GLU 133 Ca 0.00 -1.74 0.03 0.00 -0.02 0.00 0.00 57.16 55.43 2k9a n GLU 133 Cb 0.29 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.72 2.95 0.62 0.00 -0.78 -5.02 105.19 106.01 2k9a n GLY 134 Ca 0.16 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 2k9a n GLY 134 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k9a s ARG 135 N -0.75 0.26 0.00 1.61 3.52 -0.82 -5.02 118.95 117.75 2k9a s ARG 135 Ca 0.15 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 2k9a s ARG 135 Cb 0.15 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 2k9a s ARG 135 CO -0.03 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.37