#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 -0.55 0.28 7.83 2.15 -1.26 -5.17 116.67 119.94 2k9a s ASP 2 Ca 0.00 1.03 -0.07 0.00 0.43 0.00 0.00 52.55 53.94 2k9a s ASP 2 Cb 0.00 1.01 -0.01 0.00 -0.30 0.00 0.00 42.92 43.62 2k9a s ASP 2 CO 0.00 -0.18 0.42 0.00 -0.17 0.00 0.00 175.17 175.24 2k9a s ALA 3 N 0.56 0.38 -0.27 3.66 0.00 -1.26 -5.14 121.76 119.70 2k9a s ALA 3 Ca -0.02 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2k9a s ALA 3 Cb -0.04 1.15 0.08 0.00 0.00 0.00 0.00 23.12 24.31 2k9a s ALA 3 CO -0.03 -0.79 0.01 -1.17 0.00 0.00 0.00 175.76 173.78 2k9a s LEU 4 N -3.13 2.70 -0.07 0.00 0.20 -1.26 -5.10 118.68 112.02 2k9a s LEU 4 Ca 0.28 -1.41 0.01 0.00 0.69 0.00 0.00 54.13 53.70 2k9a s LEU 4 Cb 0.01 -1.12 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 2k9a s LEU 4 CO 0.14 -0.31 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.10 2k9a s GLU 5 N 1.42 1.43 0.00 1.98 2.56 -1.26 -5.04 118.70 119.79 2k9a s GLU 5 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2k9a s GLU 5 Cb -0.18 -1.32 0.00 0.00 2.00 0.00 0.00 34.13 34.63 2k9a s GLU 5 CO -0.11 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2k9a n GLY 6 N 4.22 -1.29 2.11 -1.50 0.00 -1.26 -5.08 105.19 102.38 2k9a n GLY 6 Ca -0.20 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2k9a n GLY 6 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k9a n GLU 7 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.91 120.64 118.21 2k9a n GLU 7 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 2k9a n GLU 7 Cb 0.00 0.00 0.27 0.00 0.27 0.00 0.00 31.44 31.98 2k9a n GLU 7 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k9a n SER 8 N -3.45 2.19 -4.65 4.31 2.88 -1.26 -4.90 113.62 108.74 2k9a n SER 8 Ca 0.00 -1.68 -0.43 0.00 -1.33 0.00 0.00 58.87 55.44 2k9a n SER 8 Cb 0.00 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2k9a n SER 8 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2k9a s PHE 9 N -2.09 2.41 0.51 0.66 5.36 -1.26 -4.77 117.98 118.81 2k9a s PHE 9 Ca 0.31 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2k9a s PHE 9 Cb 0.20 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 2k9a s PHE 9 CO 0.36 -2.62 0.00 0.00 -1.46 0.00 0.00 175.22 171.50 2k9a n ALA 10 N 7.28 -3.12 -0.04 11.12 0.00 -1.26 -4.92 120.51 129.56 2k9a n ALA 10 Ca 0.16 0.77 -0.03 0.00 0.00 0.00 0.00 53.44 54.34 2k9a n ALA 10 Cb 0.44 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.93 0.98 0.00 0.00 4.77 -1.26 -4.99 117.00 112.57 2k9a n LEU 11 Ca -0.08 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2k9a n LEU 11 Cb 0.57 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2k9a n LEU 11 CO 0.03 -0.44 0.00 -1.20 -1.33 0.00 0.00 177.39 174.45 2k9a n SER 12 N -3.52 0.00 -4.23 -1.43 7.64 -1.26 -5.07 113.62 105.75 2k9a n SER 12 Ca -0.05 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 2k9a n SER 12 Cb 0.19 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 2k9a n SER 12 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k9a s PHE 13 N -0.86 3.23 -0.16 1.43 0.40 -1.26 -5.09 117.98 115.67 2k9a s PHE 13 Ca 0.00 -1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 54.65 2k9a s PHE 13 Cb 0.00 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 2k9a s PHE 13 CO 0.00 -0.74 0.17 -1.54 0.70 0.00 0.00 175.22 173.80 2k9a s SER 14 N 1.34 6.33 0.00 1.36 1.04 -1.26 -4.90 113.70 117.61 2k9a s SER 14 Ca -0.03 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2k9a s SER 14 Cb -0.19 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2k9a s SER 14 CO 0.00 0.25 0.00 -0.24 0.98 0.00 0.00 173.24 174.23 2k9a n SER 15 N 2.95 0.00 0.00 7.02 2.88 -1.26 -4.60 113.62 120.60 2k9a n SER 15 Ca -0.17 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.43 2k9a n SER 15 Cb 0.53 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.27 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a n ALA 16 N -1.33 1.63 0.18 -1.46 0.00 -1.26 -0.67 120.51 117.60 2k9a n ALA 16 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 2k9a n ALA 16 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 2k9a n ALA 16 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k9a h SER 17 N 0.00 -0.44 0.00 0.00 0.02 -1.92 -3.45 113.55 107.77 2k9a h SER 17 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k9a h SER 17 Cb 0.17 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k9a h SER 17 CO 0.00 -0.11 0.00 -0.67 -1.14 0.00 0.00 176.83 174.91 2k9a n ASP 18 N -4.49 0.00 0.23 3.07 -0.08 -1.20 -4.90 116.55 109.17 2k9a n ASP 18 Ca -0.06 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.09 2k9a n ASP 18 Cb 0.20 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.60 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a h ALA 19 N 0.00 -0.62 -0.09 -1.67 0.00 -1.87 -2.27 119.26 112.74 2k9a h ALA 19 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 2k9a h ALA 19 Cb 0.00 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k9a h ALA 19 CO 0.00 -0.64 -0.89 1.49 0.00 0.00 0.00 179.25 179.21 2k9a h GLU 20 N -1.04 0.76 -0.14 0.00 4.81 -1.15 -2.71 114.58 115.11 2k9a h GLU 20 Ca -0.06 -0.70 0.04 0.00 -0.13 0.00 0.00 59.36 58.51 2k9a h GLU 20 Cb 0.57 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2k9a h GLU 20 CO 0.10 1.29 -0.13 0.35 -0.73 0.00 0.00 179.01 179.90 2k9a h PHE 21 N 0.47 -0.32 -0.81 0.92 3.04 -1.57 -1.59 116.94 117.07 2k9a h PHE 21 Ca -0.09 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 2k9a h PHE 21 Cb 1.54 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 40.17 2k9a h PHE 21 CO 0.10 -0.19 0.42 -0.44 -2.02 0.00 0.00 178.31 176.17 2k9a h ASP 22 N -0.15 1.03 -0.83 0.41 5.19 -1.47 -2.30 116.42 118.31 2k9a h ASP 22 Ca 0.09 -0.10 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2k9a h ASP 22 Cb 0.29 -0.26 -0.08 0.00 0.18 0.00 0.00 39.33 39.45 2k9a h ASP 22 CO -0.23 0.85 0.46 0.00 -3.12 0.00 0.00 179.24 177.20 2k9a h ALA 23 N 1.31 1.20 -0.59 3.45 0.00 -0.99 -1.03 119.26 122.63 2k9a h ALA 23 Ca 0.28 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2k9a h ALA 23 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k9a h ALA 23 CO -0.04 0.04 -0.02 0.28 0.00 0.00 0.00 179.25 179.50 2k9a h VAL 24 N 0.73 1.27 -0.85 0.00 2.07 -0.78 -2.72 116.25 115.97 2k9a h VAL 24 Ca 0.42 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2k9a h VAL 24 Cb 0.45 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2k9a h VAL 24 CO -0.28 0.42 0.55 0.58 0.02 0.00 0.00 177.57 178.86 2k9a h VAL 25 N 0.94 1.01 -0.19 2.57 2.07 -0.78 -1.23 116.25 120.63 2k9a h VAL 25 Ca 0.16 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2k9a h VAL 25 Cb 0.58 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2k9a h VAL 25 CO 0.03 0.16 -0.04 1.23 0.02 0.00 0.00 177.57 178.97 2k9a h GLY 26 N 0.88 0.40 2.00 2.17 0.00 -1.07 -2.55 103.07 104.90 2k9a h GLY 26 Ca 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2k9a h GLY 26 CO -0.15 0.30 -0.06 -0.97 0.00 0.00 0.00 176.54 175.66 2k9a h TYR 27 N 0.09 0.00 -0.03 5.60 0.05 -1.11 -2.56 116.97 119.00 2k9a h TYR 27 Ca 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2k9a h TYR 27 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2k9a h TYR 27 CO 0.05 0.06 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.06 2k9a h LEU 28 N 0.00 0.14 -1.20 3.88 3.38 -0.98 -3.19 115.31 117.34 2k9a h LEU 28 Ca -0.00 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.39 2k9a h LEU 28 Cb 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2k9a h LEU 28 CO 0.01 0.73 0.55 -0.33 0.09 0.00 0.00 178.44 179.49 2k9a h GLU 29 N -0.45 1.00 -0.42 1.13 5.08 -1.08 -0.80 114.58 119.04 2k9a h GLU 29 Ca -0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 29 Cb 0.72 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2k9a h GLU 29 CO 0.02 0.66 0.28 0.22 -1.00 0.00 0.00 179.01 179.19 2k9a h ASP 30 N 1.03 0.35 0.50 1.42 1.82 -1.50 -2.06 116.42 117.97 2k9a h ASP 30 Ca 0.34 -0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.68 2k9a h ASP 30 Cb 0.07 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2k9a h ASP 30 CO -0.11 0.24 -1.47 0.40 -1.61 0.00 0.00 179.24 176.69 2k9a h ILE 31 N 0.41 1.22 -0.80 2.25 2.04 -1.20 -3.04 117.51 118.39 2k9a h ILE 31 Ca 0.17 -2.86 0.02 0.00 1.00 0.00 0.00 64.86 63.20 2k9a h ILE 31 Cb 0.18 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 2k9a h ILE 31 CO -0.04 0.83 0.53 0.40 0.00 0.00 0.00 178.15 179.87 2k9a h ILE 32 N 0.07 1.16 -0.04 -0.67 2.04 -0.54 -1.00 117.51 118.53 2k9a h ILE 32 Ca -0.22 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2k9a h ILE 32 Cb 2.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2k9a h ILE 32 CO 0.17 0.19 0.00 0.23 0.00 0.00 0.00 178.15 178.74 2k9a n MET 33 N -4.43 1.88 -2.10 2.37 2.81 -0.87 -4.72 117.12 112.05 2k9a n MET 33 Ca 0.10 -1.28 -0.42 0.00 -1.81 0.00 0.00 57.70 54.29 2k9a n MET 33 Cb 0.07 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k9a s ASP 34 N -1.95 6.76 0.16 7.83 2.15 -0.38 -4.93 116.67 126.30 2k9a s ASP 34 Ca 0.35 2.52 -0.16 0.00 0.43 0.00 0.00 52.55 55.68 2k9a s ASP 34 Cb 0.21 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.29 2k9a s ASP 34 CO 0.32 -0.65 1.72 0.44 -0.17 0.00 0.00 175.17 176.84 2k9a h ASP 35 N 5.61 -0.02 -0.37 -0.34 5.19 -1.91 -1.15 116.42 123.42 2k9a h ASP 35 Ca -0.45 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.09 2k9a h ASP 35 Cb 1.21 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 2k9a h ASP 35 CO 0.80 0.03 0.25 -0.08 -3.12 0.00 0.00 179.24 177.12 2k9a h GLU 36 N 0.17 0.24 -0.08 3.56 4.57 -1.93 -1.22 114.58 119.88 2k9a h GLU 36 Ca 0.17 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.13 2k9a h GLU 36 Cb 0.20 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2k9a h GLU 36 CO -0.23 0.16 -0.80 0.35 -1.18 0.00 0.00 179.01 177.31 2k9a h PHE 37 N 0.24 0.74 -0.55 0.92 3.57 -1.50 -2.55 116.94 117.82 2k9a h PHE 37 Ca 0.17 -0.34 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 2k9a h PHE 37 Cb 0.35 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2k9a h PHE 37 CO -0.00 1.14 0.04 1.96 -2.23 0.00 0.00 178.31 179.21 2k9a h GLN 38 N 0.35 0.90 -0.04 1.11 1.08 -0.33 -1.26 115.11 116.92 2k9a h GLN 38 Ca -0.05 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2k9a h GLN 38 Cb 1.40 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2k9a h GLN 38 CO 0.15 0.87 -0.02 1.25 -0.95 0.00 0.00 178.83 180.13 2k9a h LEU 39 N 0.84 0.09 -0.37 1.46 5.85 -1.36 -2.46 115.31 119.36 2k9a h LEU 39 Ca 0.16 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2k9a h LEU 39 Cb 0.45 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2k9a h LEU 39 CO 0.02 0.50 0.24 0.25 -0.34 0.00 0.00 178.44 179.11 2k9a h LEU 40 N -0.32 0.44 0.41 2.25 5.85 -1.39 0.54 115.31 123.09 2k9a h LEU 40 Ca 0.01 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2k9a h LEU 40 Cb 0.47 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2k9a h LEU 40 CO 0.01 0.33 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.63 2k9a h GLN 41 N 0.50 -0.54 -0.17 1.25 5.75 -1.27 -2.53 115.11 118.11 2k9a h GLN 41 Ca 0.14 0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 2k9a h GLN 41 Cb -0.04 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2k9a h GLN 41 CO -0.03 -0.36 -0.20 0.00 -2.65 0.00 0.00 178.83 175.60 2k9a h ARG 42 N -0.56 0.28 -0.14 1.69 -0.00 -1.39 -0.83 114.38 113.42 2k9a h ARG 42 Ca -0.06 -0.08 0.01 0.00 -0.50 0.00 0.00 59.98 59.35 2k9a h ARG 42 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.36 2k9a h ARG 42 CO 0.09 0.47 0.07 -0.97 0.00 0.00 0.00 179.97 179.64 2k9a h ASN 43 N 0.26 0.11 0.52 7.04 -0.73 -0.65 -1.82 115.58 120.31 2k9a h ASN 43 Ca 0.05 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.96 2k9a h ASN 43 Cb 0.50 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.08 2k9a h ASN 43 CO 0.03 0.09 -1.15 -0.26 -0.37 0.00 0.00 177.43 175.77 2k9a h PHE 44 N 0.16 0.55 0.00 0.67 -1.00 -1.35 -3.22 116.94 112.75 2k9a h PHE 44 Ca 0.06 -0.36 -0.01 0.00 2.81 0.00 0.00 57.97 60.46 2k9a h PHE 44 Cb 0.00 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2k9a h PHE 44 CO -0.09 1.24 -0.04 0.52 -1.61 0.00 0.00 178.31 178.34 2k9a h MET 45 N 0.13 0.00 -0.07 1.51 2.86 -1.04 -0.99 114.93 117.33 2k9a h MET 45 Ca -0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2k9a h MET 45 Cb 1.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 2k9a h MET 45 CO 0.19 0.04 -0.11 0.22 1.06 0.00 0.00 176.91 178.31 2k9a h ASP 46 N 0.00 0.10 0.03 1.22 3.58 -1.34 -1.69 116.42 118.32 2k9a h ASP 46 Ca -0.00 -0.02 -0.38 0.00 0.42 0.00 0.00 57.03 57.05 2k9a h ASP 46 Cb 0.11 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 2k9a h ASP 46 CO 0.01 0.23 -2.23 1.17 -2.88 0.00 0.00 179.24 175.53 2k9a n LYS 47 N -4.35 0.65 -0.10 0.28 0.00 -0.64 -4.25 118.16 109.75 2k9a n LYS 47 Ca -0.02 0.26 -0.06 0.00 0.00 0.00 0.00 58.31 58.49 2k9a n LYS 47 Cb 0.22 -1.58 0.02 0.00 0.00 0.00 0.00 35.03 33.68 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 -0.36 0.17 0.00 5.64 -1.99 -1.21 -0.73 116.97 118.49 2k9a h TYR 48 Ca -0.55 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.20 2k9a h TYR 48 Cb 1.78 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.49 2k9a h TYR 48 CO 0.02 0.06 0.00 0.10 -0.00 0.00 0.00 178.16 178.34 2k9a h TYR 49 N 0.24 0.00 0.17 4.88 -0.00 -1.53 -1.91 116.97 118.82 2k9a h TYR 49 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.64 2k9a h TYR 49 Cb 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.91 2k9a h TYR 49 CO -0.16 0.00 -1.14 -0.07 -0.00 0.00 0.00 178.16 176.79 2k9a h LEU 50 N 0.00 0.56 -0.48 0.10 3.38 -1.32 -3.35 115.31 114.20 2k9a h LEU 50 Ca 0.00 -0.93 -0.12 0.00 0.09 0.00 0.00 57.88 56.92 2k9a h LEU 50 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2k9a h LEU 50 CO 0.00 1.54 -0.16 -0.33 0.09 0.00 0.00 178.44 179.57 2k9a h GLU 51 N -0.20 0.96 -5.83 1.13 4.39 -0.91 -3.38 114.58 110.73 2k9a h GLU 51 Ca -0.21 -0.39 -0.38 0.00 0.34 0.00 0.00 59.36 58.72 2k9a h GLU 51 Cb 1.83 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 2k9a h GLU 51 CO 0.17 1.05 0.95 -0.06 -1.16 0.00 0.00 179.01 179.96 2k9a s PHE 52 N -4.74 2.00 -0.08 4.33 0.40 -0.78 -4.95 117.98 114.17 2k9a s PHE 52 Ca -0.12 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2k9a s PHE 52 Cb 0.12 -4.22 -0.03 0.00 0.51 0.00 0.00 43.02 39.39 2k9a s PHE 52 CO 0.86 -1.81 -0.03 -2.00 0.70 0.00 0.00 175.22 172.94 2k9a s GLU 53 N 6.46 2.94 -0.52 0.44 2.12 -1.26 -4.82 118.70 124.05 2k9a s GLU 53 Ca 0.63 -0.47 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 2k9a s GLU 53 Cb -0.05 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 2k9a s GLU 53 CO -0.03 0.66 1.91 0.34 -0.54 0.00 0.00 175.26 177.60 2k9a s ASP 54 N -0.77 5.33 0.37 -1.70 2.15 -1.26 -4.94 116.67 115.86 2k9a s ASP 54 Ca 0.12 0.69 0.04 0.00 0.43 0.00 0.00 52.55 53.82 2k9a s ASP 54 Cb -0.11 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2k9a s ASP 54 CO 0.02 -2.26 0.14 0.42 -0.17 0.00 0.00 175.17 173.31 2k9a s THR 55 N 8.89 0.58 -0.39 1.71 -4.23 -1.26 -5.06 115.64 115.88 2k9a s THR 55 Ca 0.74 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.47 2k9a s THR 55 Cb -0.16 -2.44 -0.22 0.00 1.34 0.00 0.00 72.50 71.03 2k9a s THR 55 CO 0.25 0.00 0.78 -1.84 -0.54 0.00 0.00 174.62 173.26 2k9a n GLU 56 N -0.80 0.43 -4.14 3.99 0.28 -1.26 -4.94 120.64 114.20 2k9a n GLU 56 Ca -0.03 -0.07 -0.28 0.00 -0.16 0.00 0.00 57.16 56.62 2k9a n GLU 56 Cb 0.65 -1.57 -0.07 0.00 1.43 0.00 0.00 31.44 31.87 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k9a s GLU 57 N -3.32 2.61 -0.18 3.44 -1.05 -1.26 -5.11 118.70 113.83 2k9a s GLU 57 Ca -0.01 -0.93 -0.11 0.00 -0.15 0.00 0.00 54.97 53.77 2k9a s GLU 57 Cb 0.14 -2.52 -0.05 0.00 -0.44 0.00 0.00 34.13 31.27 2k9a s GLU 57 CO 0.86 0.50 0.19 1.21 0.95 0.00 0.00 175.26 178.97 2k9a s ASN 58 N -2.74 6.31 0.20 0.83 2.47 -1.26 -5.09 114.94 115.66 2k9a s ASN 58 Ca 0.28 0.35 -0.01 0.00 0.42 0.00 0.00 52.86 53.90 2k9a s ASN 58 Cb -0.10 -2.12 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 2k9a s ASN 58 CO 0.20 0.16 0.39 -0.54 -3.72 0.00 0.00 177.10 173.59 2k9a s LYS 59 N 0.33 3.52 0.32 0.43 1.02 -1.26 -5.00 119.74 119.11 2k9a s LYS 59 Ca 0.12 -0.33 0.25 0.00 0.02 0.00 0.00 55.97 56.02 2k9a s LYS 59 Cb -0.12 -2.84 0.57 0.00 -0.52 0.00 0.00 37.83 34.92 2k9a s LYS 59 CO 0.01 0.41 1.69 1.25 -0.92 0.00 0.00 175.35 177.78 2k9a h LEU 60 N 2.05 0.00 -1.23 3.17 5.85 -2.04 -3.21 115.31 119.90 2k9a h LEU 60 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k9a h LEU 60 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k9a h LEU 60 CO 0.68 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.49 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.03 -1.83 117.51 123.79 2k9a h ILE 61 Ca 0.00 -0.10 -0.04 0.00 -1.37 0.00 0.00 64.86 63.35 2k9a h ILE 61 Cb 0.87 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 2k9a h ILE 61 CO 0.00 0.00 -0.20 1.88 -3.07 0.00 0.00 178.15 176.76 2k9a h TYR 62 N 0.00 0.00 0.13 2.19 -1.99 -1.99 -2.81 116.97 112.50 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2k9a h TYR 62 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 2k9a h TYR 62 CO 0.00 0.20 -0.06 1.15 -0.00 0.00 0.00 178.16 179.45 2k9a h THR 63 N 0.00 1.04 -0.59 -2.88 2.02 -1.58 -2.29 112.91 108.63 2k9a h THR 63 Ca -0.00 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.06 2k9a h THR 63 Cb 0.72 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2k9a h THR 63 CO 0.03 0.23 -0.00 1.55 0.37 0.00 0.00 175.52 177.70 2k9a h PRO 64 N -0.69 1.05 -0.42 6.66 0.13 -1.72 -2.42 132.00 134.58 2k9a h PRO 64 Ca -0.02 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2k9a h PRO 64 Cb 0.51 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2k9a h PRO 64 CO 0.03 1.03 0.26 0.82 -0.23 0.00 0.00 178.00 179.91 2k9a h ILE 65 N 0.94 1.13 -0.28 -3.56 2.04 -1.59 -1.50 117.51 114.69 2k9a h ILE 65 Ca 0.17 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2k9a h ILE 65 Cb 0.56 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2k9a h ILE 65 CO 0.03 0.13 0.15 0.15 0.00 0.00 0.00 178.15 178.61 2k9a h PHE 66 N 0.56 0.39 -0.51 1.37 3.57 -1.34 -2.39 116.94 118.60 2k9a h PHE 66 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2k9a h PHE 66 Cb -0.02 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2k9a h PHE 66 CO -0.04 0.33 0.34 -0.91 -2.23 0.00 0.00 178.31 175.80 2k9a h ASN 67 N 0.34 0.56 -0.39 0.41 -0.26 -1.23 -1.74 115.58 113.27 2k9a h ASN 67 Ca 0.10 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.73 2k9a h ASN 67 Cb 0.07 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2k9a h ASN 67 CO -0.02 0.40 -0.09 -0.08 -1.06 0.00 0.00 177.43 176.58 2k9a h GLU 68 N 0.65 0.83 -0.33 0.81 4.57 -0.84 -1.57 114.58 118.71 2k9a h GLU 68 Ca 0.19 -0.28 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 2k9a h GLU 68 Cb -0.02 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2k9a h GLU 68 CO -0.04 0.89 -0.27 -0.92 -1.18 0.00 0.00 179.01 177.49 2k9a h TYR 69 N 0.76 0.78 0.00 0.92 3.20 -0.86 0.20 116.97 121.96 2k9a h TYR 69 Ca 0.13 -0.19 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 69 Cb 0.59 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2k9a h TYR 69 CO 0.03 0.88 -0.63 0.82 -1.64 0.00 0.00 178.16 177.62 2k9a h ILE 70 N 0.59 1.38 0.00 1.81 1.08 -1.19 -0.96 117.51 120.23 2k9a h ILE 70 Ca 0.08 -2.20 -0.21 0.00 -0.39 0.00 0.00 64.86 62.13 2k9a h ILE 70 Cb 0.76 2.21 -0.04 0.00 -3.07 0.00 0.00 36.82 36.69 2k9a h ILE 70 CO 0.06 0.62 -1.48 -1.28 -0.69 0.00 0.00 178.15 175.38 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.10 -2.88 113.55 112.17 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 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2k9a h SER 71 CO 0.08 0.73 -0.34 -0.11 -0.53 0.00 0.00 176.83 176.66 2k9a n LEU 72 N -2.96 1.21 0.12 2.23 -0.00 0.67 -4.16 117.00 114.11 2k9a n LEU 72 Ca -0.12 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.35 2k9a n LEU 72 Cb 0.91 -0.75 -0.03 0.00 -0.00 0.00 0.00 43.42 43.55 2k9a n LEU 72 CO 0.44 -0.49 0.17 0.58 -0.00 0.00 0.00 177.39 178.09 2k9a h VAL 73 N -0.67 0.00 -0.64 1.96 2.07 -1.37 -2.29 116.25 115.31 2k9a h VAL 73 Ca 0.00 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.04 2k9a h VAL 73 Cb 0.34 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 2k9a h VAL 73 CO 0.00 0.00 0.19 -0.08 0.02 0.00 0.00 177.57 177.70 2k9a h GLU 74 N -0.96 0.33 -0.61 1.57 4.81 -1.58 -0.40 114.58 117.74 2k9a h GLU 74 Ca -0.04 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2k9a h GLU 74 Cb 0.28 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2k9a h GLU 74 CO 0.06 0.22 0.09 -0.22 -0.73 0.00 0.00 179.01 178.43 2k9a h LYS 75 N 0.34 0.99 -0.10 1.92 1.63 -1.64 -2.76 116.57 116.95 2k9a h LYS 75 Ca 0.33 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2k9a h LYS 75 Cb 0.48 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 2k9a h LYS 75 CO -0.38 0.92 -0.12 -0.92 -3.45 0.00 0.00 179.45 175.50 2k9a h TYR 76 N 0.93 -0.30 -0.40 1.91 3.20 -0.49 -0.89 116.97 120.93 2k9a h TYR 76 Ca 0.19 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.12 2k9a h TYR 76 Cb 0.42 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2k9a h TYR 76 CO 0.03 -0.18 0.17 0.82 -1.64 0.00 0.00 178.16 177.35 2k9a h ILE 77 N -0.16 0.92 -0.09 1.81 2.04 -1.26 -1.91 117.51 118.86 2k9a h ILE 77 Ca 0.08 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2k9a h ILE 77 Cb 0.27 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2k9a h ILE 77 CO -0.19 0.06 -0.06 -0.08 0.00 0.00 0.00 178.15 177.88 2k9a h GLU 78 N 0.35 -0.06 -0.37 2.37 4.81 -1.17 -2.31 114.58 118.20 2k9a h GLU 78 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2k9a h GLU 78 Cb 0.14 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2k9a h GLU 78 CO -0.16 -0.04 0.14 0.93 -0.73 0.00 0.00 179.01 179.15 2k9a h GLU 79 N -0.06 0.29 -0.34 1.92 4.39 -0.90 -1.26 114.58 118.62 2k9a h GLU 79 Ca 0.06 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2k9a h GLU 79 Cb 0.15 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2k9a h GLU 79 CO -0.13 0.19 0.23 1.96 -1.16 0.00 0.00 179.01 180.10 2k9a h GLN 80 N 0.30 0.29 0.11 2.33 1.08 -1.10 -1.94 115.11 116.18 2k9a h GLN 80 Ca 0.17 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 57.08 2k9a h GLN 80 Cb 0.13 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2k9a h GLN 80 CO -0.16 0.19 -1.19 -0.07 -0.95 0.00 0.00 178.83 176.66 2k9a h LEU 81 N 0.30 0.59 -1.53 1.46 3.38 -0.80 -3.24 115.31 115.48 2k9a h LEU 81 Ca 0.14 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2k9a h LEU 81 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k9a h LEU 81 CO -0.03 1.41 -0.15 -0.07 0.09 0.00 0.00 178.44 179.69 2k9a h LEU 82 N 0.17 0.00 -2.11 1.67 -0.00 -0.54 -2.26 115.31 112.23 2k9a h LEU 82 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.77 2k9a h LEU 82 Cb 1.87 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.53 2k9a h LEU 82 CO 0.21 0.15 0.32 1.56 -0.00 0.00 0.00 178.44 180.67 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.40 -1.63 115.11 117.41 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 0.00 2.89 -0.67 0.00 0.00 178.83 181.07 2k9a n ARG 84 N -3.24 4.87 -3.60 1.46 1.85 -1.05 -4.93 116.66 112.02 2k9a n ARG 84 Ca 0.01 -0.04 -0.29 0.00 -1.00 0.00 0.00 57.85 56.52 2k9a n ARG 84 Cb 0.41 -0.45 -0.13 0.00 -1.05 0.00 0.00 32.46 31.24 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2k9a s ILE 85 N -0.71 0.72 -1.53 8.89 1.01 -0.61 -4.97 121.20 124.00 2k9a s ILE 85 Ca 0.00 -1.95 0.24 0.00 0.00 0.00 0.00 60.65 58.94 2k9a s ILE 85 Cb 0.00 -1.52 0.47 0.00 0.01 0.00 0.00 42.46 41.42 2k9a s ILE 85 CO 0.00 -0.90 1.81 -0.81 0.00 0.00 0.00 174.94 175.04 2k9a n PRO 86 N 4.01 0.42 -0.31 2.79 -0.04 -1.23 -2.68 135.00 137.97 2k9a n PRO 86 Ca 0.08 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2k9a n PRO 86 Cb 0.37 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.24 2.65 -2.19 0.54 -0.58 -1.26 -5.03 120.64 113.53 2k9a n GLU 87 Ca 0.13 -2.57 -0.36 0.00 -0.42 0.00 0.00 57.16 53.94 2k9a n GLU 87 Cb 0.17 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -2.38 2.68 -0.47 -0.32 5.36 -1.09 -5.02 117.98 116.74 2k9a s PHE 88 Ca 0.34 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.87 2k9a s PHE 88 Cb 0.27 -3.39 0.15 0.00 -0.34 0.00 0.00 43.02 39.71 2k9a s PHE 88 CO 0.09 -1.73 0.30 -0.80 -1.46 0.00 0.00 175.22 171.62 2k9a s ASN 89 N -1.53 3.33 0.54 6.13 -0.87 -1.26 -4.96 114.94 116.32 2k9a s ASN 89 Ca 0.70 -2.90 0.21 0.00 -1.57 0.00 0.00 52.86 49.30 2k9a s ASN 89 Cb -0.28 -0.96 1.46 0.00 -0.02 0.00 0.00 41.25 41.45 2k9a s ASN 89 CO 0.32 -0.22 2.18 -0.03 -2.57 0.00 0.00 177.10 176.78 2k9a h MET 90 N 6.29 0.00 0.61 -0.60 4.05 -1.98 -0.09 114.93 123.21 2k9a h MET 90 Ca 0.08 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 2k9a h MET 90 Cb 0.90 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.70 2k9a h MET 90 CO 0.48 0.01 -0.29 0.00 0.23 0.00 0.00 176.91 177.34 2k9a h ALA 91 N 1.99 -0.82 0.00 0.39 0.00 -2.00 -1.76 119.26 117.06 2k9a h ALA 91 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 91 Cb 0.02 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k9a h ALA 91 CO 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 179.25 178.18 2k9a h ALA 92 N -0.88 1.12 0.19 0.00 0.00 -1.95 -2.78 119.26 114.96 2k9a h ALA 92 Ca -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2k9a h ALA 92 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k9a h ALA 92 CO 0.14 0.30 -0.09 0.35 0.00 0.00 0.00 179.25 179.95 2k9a h PHE 93 N 0.00 -0.23 -0.56 0.00 3.57 -0.96 -2.67 116.94 116.08 2k9a h PHE 93 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 93 Cb 0.65 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2k9a h PHE 93 CO 0.00 0.14 0.28 1.79 -2.23 0.00 0.00 178.31 178.29 2k9a h THR 94 N -0.66 1.20 -0.20 4.41 1.35 -1.30 0.79 112.91 118.50 2k9a h THR 94 Ca -0.03 -0.54 0.04 0.00 -0.55 0.00 0.00 66.41 65.33 2k9a h THR 94 Cb 0.47 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 2k9a h THR 94 CO 0.04 0.22 -0.08 0.71 -0.25 0.00 0.00 175.52 176.17 2k9a h THR 95 N 0.76 0.73 0.00 6.82 1.35 -1.55 -1.83 112.91 119.20 2k9a h THR 95 Ca 0.19 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.94 2k9a h THR 95 Cb 0.10 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 2k9a h THR 95 CO -0.03 0.00 -0.53 0.74 -0.25 0.00 0.00 175.52 175.45 2k9a h THR 96 N -0.05 1.31 -0.79 6.82 2.02 -1.34 -3.07 112.91 117.81 2k9a h THR 96 Ca 0.10 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.45 2k9a h THR 96 Cb 0.20 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 2k9a h THR 96 CO -0.23 0.52 0.52 0.25 0.37 0.00 0.00 175.52 176.95 2k9a h LEU 97 N 0.00 0.82 -0.78 2.58 6.46 -0.02 -0.18 115.31 124.20 2k9a h LEU 97 Ca -0.01 -0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.89 2k9a h LEU 97 Cb 0.99 -0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 40.63 2k9a h LEU 97 CO 0.07 0.56 0.32 1.56 -0.62 0.00 0.00 178.44 180.33 2k9a h GLN 98 N 0.95 0.45 0.14 1.25 4.20 -1.33 0.11 115.11 120.88 2k9a h GLN 98 Ca 0.32 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.70 2k9a h GLN 98 Cb 0.08 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2k9a h GLN 98 CO -0.10 0.30 -1.45 0.45 -0.67 0.00 0.00 178.83 177.36 2k9a h HIS 99 N 0.46 0.54 0.00 2.96 3.86 -1.57 -3.24 115.15 118.17 2k9a h HIS 99 Ca 0.43 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2k9a h HIS 99 Cb 0.66 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2k9a h HIS 99 CO -0.16 1.39 0.00 1.58 0.86 0.00 0.00 177.93 181.60 2k9a n HIS 100 N -3.51 0.00 0.27 2.45 -0.00 -0.14 -2.55 115.22 111.73 2k9a n HIS 100 Ca -0.15 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.75 2k9a n HIS 100 Cb 1.05 -0.31 0.95 0.00 -0.00 0.00 0.00 29.99 31.68 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -0.85 0.53 116.57 121.47 2k9a h LYS 101 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2k9a h LYS 101 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2k9a h LYS 101 CO 0.00 0.00 -0.46 0.22 -2.27 0.00 0.00 179.45 176.94 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.76 -3.38 116.42 119.05 2k9a h ASP 102 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2k9a h ASP 102 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k9a h ASP 102 CO 0.00 0.46 -1.21 1.21 -2.88 0.00 0.00 179.24 176.82 2k9a n GLU 103 N -3.34 0.54 -0.69 0.28 4.07 0.01 -5.00 120.64 116.51 2k9a n GLU 103 Ca 0.01 0.23 -0.31 0.00 -0.06 0.00 0.00 57.16 57.03 2k9a n GLU 103 Cb 0.65 -1.45 0.17 0.00 -0.06 0.00 0.00 31.44 30.75 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9a s VAL 104 N -2.82 2.06 -0.30 6.31 0.11 -0.22 -4.83 120.40 120.71 2k9a s VAL 104 Ca -0.30 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.50 2k9a s VAL 104 Cb 0.06 -2.04 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 2k9a s VAL 104 CO 0.43 -0.03 2.28 0.00 -3.33 0.00 0.00 175.10 174.45 2k9a s ALA 105 N -2.64 2.40 0.30 1.54 0.00 -1.26 -4.78 121.76 117.31 2k9a s ALA 105 Ca 0.67 0.55 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2k9a s ALA 105 Cb -0.23 -4.16 0.47 0.00 0.00 0.00 0.00 23.12 19.21 2k9a s ALA 105 CO 0.58 -3.30 1.85 0.78 0.00 0.00 0.00 175.76 175.67 2k9a h GLY 106 N 16.45 0.79 1.47 0.00 0.00 -1.88 -2.51 103.07 117.38 2k9a h GLY 106 Ca -0.36 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.54 2k9a h GLY 106 CO 1.02 0.42 0.32 -1.80 0.00 0.00 0.00 176.54 176.50 2k9a h ASP 107 N 0.71 0.51 -0.01 0.19 1.82 -1.95 -0.50 116.42 117.20 2k9a h ASP 107 Ca 0.16 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 2k9a h ASP 107 Cb 0.29 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2k9a h ASP 107 CO 0.00 0.36 -0.08 0.40 -1.61 0.00 0.00 179.24 178.31 2k9a h ILE 108 N 0.60 1.55 0.00 2.25 1.08 -1.85 -3.26 117.51 117.88 2k9a h ILE 108 Ca 0.19 -1.74 -0.03 0.00 -0.39 0.00 0.00 64.86 62.88 2k9a h ILE 108 Cb 0.01 2.69 -0.00 0.00 -3.07 0.00 0.00 36.82 36.45 2k9a h ILE 108 CO -0.04 0.46 -0.14 0.15 -0.69 0.00 0.00 178.15 177.89 2k9a h PHE 109 N -0.62 0.00 -1.14 1.37 3.57 -1.24 -2.60 116.94 116.27 2k9a h PHE 109 Ca -0.01 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.80 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 2k9a h PHE 109 CO 0.17 0.14 0.80 -0.44 -2.23 0.00 0.00 178.31 176.75 2k9a h ASP 110 N 0.00 0.15 -0.01 0.41 3.32 -1.13 0.78 116.42 119.94 2k9a h ASP 110 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2k9a h ASP 110 Cb 0.27 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2k9a h ASP 110 CO 0.02 0.02 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.49 2k9a h MET 111 N 0.12 0.04 0.00 3.56 4.05 -1.63 -3.15 114.93 117.92 2k9a h MET 111 Ca 0.58 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 2k9a h MET 111 Cb 2.04 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.84 2k9a h MET 111 CO -0.11 0.66 -0.10 -0.07 0.23 0.00 0.00 176.91 177.52 2k9a h LEU 112 N -0.57 0.00 -1.91 3.39 3.38 -0.71 -2.83 115.31 116.07 2k9a h LEU 112 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2k9a h LEU 112 CO 0.01 0.10 0.59 0.25 0.09 0.00 0.00 178.44 179.47 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.44 0.60 115.31 123.87 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 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 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 -3.87 0.00 0.09 1.05 -2.24 -1.07 -2.24 114.28 106.00 2k9a n THR 114 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 2k9a n THR 114 Cb 0.83 -0.87 0.35 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.33 0.00 4.78 0.04 -1.15 -3.39 116.94 117.55 2k9a h PHE 115 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2k9a h PHE 115 Cb 0.00 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2k9a h PHE 115 CO 0.00 0.43 -0.03 0.25 -0.60 0.00 0.00 178.31 178.36 2k9a n THR 116 N -4.26 0.00 -1.73 -1.55 -2.24 -1.05 -5.01 114.28 98.44 2k9a n THR 116 Ca -0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2k9a n THR 116 Cb 0.28 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.65 4.34 0.60 3.42 -1.08 -0.95 -4.75 116.67 116.60 2k9a s ASP 117 Ca 0.00 -0.14 0.34 0.00 -0.52 0.00 0.00 52.55 52.23 2k9a s ASP 117 Cb 0.00 -2.55 1.93 0.00 -1.46 0.00 0.00 42.92 40.84 2k9a s ASP 117 CO 0.00 -3.45 2.25 0.15 0.52 0.00 0.00 175.17 174.64 2k9a h PHE 118 N 12.56 0.00 -0.18 -5.34 3.57 -1.89 -1.69 116.94 123.98 2k9a h PHE 118 Ca 0.02 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 2k9a h PHE 118 Cb 1.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k9a h PHE 118 CO 1.17 0.02 -0.64 -0.07 -2.23 0.00 0.00 178.31 176.56 2k9a h LEU 119 N 0.00 0.73 -0.18 0.59 4.07 -1.98 -2.63 115.31 115.91 2k9a h LEU 119 Ca -0.00 -0.43 -0.22 0.00 0.08 0.00 0.00 57.88 57.31 2k9a h LEU 119 Cb 0.08 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.60 2k9a h LEU 119 CO 0.00 1.18 -0.95 0.00 -1.08 0.00 0.00 178.44 177.59 2k9a h ALA 120 N 0.82 0.39 0.37 1.53 0.00 -1.71 -2.34 119.26 118.32 2k9a h ALA 120 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2k9a h ALA 120 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k9a h ALA 120 CO 0.12 0.88 -0.18 0.35 0.00 0.00 0.00 179.25 180.43 2k9a h PHE 121 N 0.16 -0.45 0.33 0.00 3.57 -1.42 -0.93 116.94 118.19 2k9a h PHE 121 Ca -0.07 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2k9a h PHE 121 Cb 1.60 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.49 2k9a h PHE 121 CO 0.05 -0.18 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.57 2k9a h LYS 122 N -0.68 -0.42 -0.45 1.11 3.64 -1.57 -2.50 116.57 115.70 2k9a h LYS 122 Ca -0.05 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2k9a h LYS 122 Cb 0.48 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2k9a h LYS 122 CO 0.08 -0.21 0.36 1.49 -2.27 0.00 0.00 179.45 178.90 2k9a h GLU 123 N -0.55 0.00 -0.12 1.90 4.81 -1.47 -0.98 114.58 118.16 2k9a h GLU 123 Ca -0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k9a h GLU 123 Cb 0.41 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2k9a h GLU 123 CO 0.07 0.00 -0.02 1.98 -0.73 0.00 0.00 179.01 180.31 2k9a h MET 124 N 0.00 0.23 -0.14 1.92 4.05 -0.72 -2.04 114.93 118.22 2k9a h MET 124 Ca 0.21 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2k9a h MET 124 Cb 0.93 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2k9a h MET 124 CO -0.00 0.52 0.00 0.74 0.23 0.00 0.00 176.91 178.40 2k9a h PHE 125 N -0.07 0.27 -0.73 1.39 0.04 -0.96 -2.06 116.94 114.81 2k9a h PHE 125 Ca 0.03 -0.05 0.10 0.00 2.80 0.00 0.00 57.97 60.85 2k9a h PHE 125 Cb 0.43 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.46 2k9a h PHE 125 CO 0.05 0.47 0.48 -0.07 -0.60 0.00 0.00 178.31 178.64 2k9a h LEU 126 N -0.01 0.57 -0.46 1.54 4.07 -1.34 -0.74 115.31 118.94 2k9a h LEU 126 Ca 0.04 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.84 2k9a h LEU 126 Cb 0.36 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2k9a h LEU 126 CO 0.01 0.34 -0.61 -0.78 -1.08 0.00 0.00 178.44 176.31 2k9a h ASP 127 N 0.63 0.61 -0.51 -0.43 3.58 -1.19 -2.34 116.42 116.77 2k9a h ASP 127 Ca 0.34 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2k9a h ASP 127 Cb 0.47 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2k9a h ASP 127 CO -0.12 1.08 0.18 0.22 -2.88 0.00 0.00 179.24 177.72 2k9a h TYR 128 N 0.40 0.81 -0.23 0.28 3.20 -0.44 -2.33 116.97 118.66 2k9a h TYR 128 Ca -0.01 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 2k9a h TYR 128 Cb 1.17 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2k9a h TYR 128 CO 0.05 0.69 -0.28 -0.09 -1.64 0.00 0.00 178.16 176.89 2k9a h ARG 129 N 0.70 0.44 -0.62 1.82 2.43 -1.29 -2.89 114.38 114.96 2k9a h ARG 129 Ca 0.17 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2k9a h ARG 129 Cb 0.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2k9a h ARG 129 CO -0.01 0.68 0.18 0.00 -1.51 0.00 0.00 179.97 179.32 2k9a h ALA 130 N 1.32 1.15 0.00 2.80 0.00 -1.08 -2.00 119.26 121.46 2k9a h ALA 130 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k9a h ALA 130 Cb 0.69 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k9a h ALA 130 CO 0.05 0.58 -0.10 1.49 0.00 0.00 0.00 179.25 181.28 2k9a h GLU 131 N 0.92 0.00 0.00 0.00 4.57 -1.21 -1.73 114.58 117.13 2k9a h GLU 131 Ca 0.20 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2k9a h GLU 131 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2k9a h GLU 131 CO -0.01 0.10 -0.31 0.87 -1.18 0.00 0.00 179.01 178.49 2k9a h LYS 132 N 0.00 0.00 -0.01 1.92 1.79 -1.34 -2.21 116.57 116.72 2k9a h LYS 132 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k9a h LYS 132 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2k9a h LYS 132 CO 0.01 0.31 -0.02 0.39 -1.08 0.00 0.00 179.45 179.06 2k9a n GLU 133 N -3.71 1.48 -1.89 3.15 1.02 -0.66 -4.99 120.64 115.05 2k9a n GLU 133 Ca -0.01 -0.78 -0.00 0.00 -0.02 0.00 0.00 57.16 56.35 2k9a n GLU 133 Cb 0.41 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.17 -3.31 3.64 0.62 0.00 -0.83 -5.11 105.19 101.37 2k9a n GLY 134 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.53 0.63 0.00 1.61 3.52 -1.26 -5.03 118.95 117.89 2k9a s ARG 135 Ca -0.00 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2k9a s ARG 135 Cb 0.00 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2k9a s ARG 135 CO 0.25 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.04