#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a h ASP 2 N 0.00 0.00 -3.88 7.83 3.58 -2.09 -3.47 116.42 118.40 2k9a h ASP 2 Ca 0.00 -0.03 -0.69 0.00 0.42 0.00 0.00 57.03 56.74 2k9a h ASP 2 Cb 0.00 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 40.83 2k9a h ASP 2 CO 0.00 0.57 -0.74 0.00 -2.88 0.00 0.00 179.24 176.19 2k9a s ALA 3 N -2.58 2.78 -0.24 -0.78 0.00 -1.26 -5.03 121.76 114.66 2k9a s ALA 3 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 2k9a s ALA 3 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 23.12 21.92 2k9a s ALA 3 CO 0.06 0.56 -0.26 -0.11 0.00 0.00 0.00 175.76 176.01 2k9a n LEU 4 N 2.30 2.46 0.00 0.00 7.94 -1.26 -4.86 117.00 123.57 2k9a n LEU 4 Ca -0.17 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2k9a n LEU 4 Cb 0.52 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2k9a n LEU 4 CO 0.26 0.73 -0.11 -1.84 -1.11 0.00 0.00 177.39 175.32 2k9a n GLU 5 N -3.58 2.67 0.00 1.96 0.28 -1.26 -5.10 120.64 115.62 2k9a n GLU 5 Ca -0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 2k9a n GLU 5 Cb 0.90 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 33.16 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k9a n GLY 6 N 0.83 2.00 0.04 -1.84 0.00 -1.26 -4.99 105.19 99.96 2k9a n GLY 6 Ca 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.45 1.17 0.15 1.61 4.07 -1.26 -4.44 120.64 120.48 2k9a n GLU 7 Ca 0.00 -0.06 0.16 0.00 -0.06 0.00 0.00 57.16 57.20 2k9a n GLU 7 Cb 0.00 -1.35 0.75 0.00 -0.06 0.00 0.00 31.44 30.78 2k9a n GLU 7 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2k9a h SER 8 N 0.00 0.00 -3.29 4.31 0.02 -2.08 -3.39 113.55 109.13 2k9a h SER 8 Ca -0.21 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.16 2k9a h SER 8 Cb 1.33 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.80 2k9a h SER 8 CO 0.01 0.00 0.71 -0.36 -1.14 0.00 0.00 176.83 176.05 2k9a s PHE 9 N -4.83 3.21 -0.12 3.45 0.40 -1.26 -5.02 117.98 113.80 2k9a s PHE 9 Ca -0.05 1.17 -0.18 0.00 -0.60 0.00 0.00 56.93 57.27 2k9a s PHE 9 Cb 0.17 -3.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 2k9a s PHE 9 CO 0.63 -0.64 0.48 0.00 0.70 0.00 0.00 175.22 176.39 2k9a s ALA 10 N 3.35 3.48 -1.91 5.36 0.00 -1.26 -4.95 121.76 125.82 2k9a s ALA 10 Ca 0.42 -0.21 0.19 0.00 0.00 0.00 0.00 51.96 52.36 2k9a s ALA 10 Cb -0.13 -2.66 0.40 0.00 0.00 0.00 0.00 23.12 20.73 2k9a s ALA 10 CO 0.12 -0.03 1.33 1.28 0.00 0.00 0.00 175.76 178.46 2k9a n LEU 11 N 3.76 3.26 -4.77 0.00 4.77 -1.26 -4.96 117.00 117.80 2k9a n LEU 11 Ca -0.07 -1.64 -0.39 0.00 -0.03 0.00 0.00 56.01 53.88 2k9a n LEU 11 Cb 0.52 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2k9a n LEU 11 CO 0.43 0.74 0.41 -0.55 -1.33 0.00 0.00 177.39 177.09 2k9a s SER 12 N -1.22 7.19 -0.29 -1.43 0.15 -1.26 -5.05 113.70 111.79 2k9a s SER 12 Ca 0.34 1.42 -0.15 0.00 0.70 0.00 0.00 55.95 58.26 2k9a s SER 12 Cb 0.19 -2.44 0.12 0.00 -1.71 0.00 0.00 66.02 62.19 2k9a s SER 12 CO 0.26 0.13 0.84 0.12 1.20 0.00 0.00 173.24 175.79 2k9a s PHE 13 N -0.56 -0.85 0.07 3.44 5.36 -1.26 -5.14 117.98 119.03 2k9a s PHE 13 Ca 0.35 1.63 -0.31 0.00 -0.96 0.00 0.00 56.93 57.64 2k9a s PHE 13 Cb -0.21 0.51 -0.07 0.00 -0.34 0.00 0.00 43.02 42.91 2k9a s PHE 13 CO 0.22 -0.42 1.39 0.45 -1.46 0.00 0.00 175.22 175.40 2k9a s SER 14 N 1.78 6.84 0.00 6.13 0.15 -1.26 -4.79 113.70 122.55 2k9a s SER 14 Ca -0.08 2.23 0.00 0.00 0.70 0.00 0.00 55.95 58.80 2k9a s SER 14 Cb -0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2k9a s SER 14 CO -0.17 -0.68 0.00 -1.20 1.20 0.00 0.00 173.24 172.39 2k9a n SER 15 N 4.57 0.00 0.13 5.45 7.64 -1.26 -4.80 113.62 125.35 2k9a n SER 15 Ca 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.98 2k9a n SER 15 Cb 0.43 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.93 -0.70 -0.43 0.00 -1.95 -1.12 119.26 116.00 2k9a h ALA 16 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k9a h ALA 16 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k9a h ALA 16 CO 0.00 0.79 0.00 -1.13 0.00 0.00 0.00 179.25 178.91 2k9a n SER 17 N -3.79 4.36 -3.79 0.00 3.41 -1.26 -4.63 113.62 107.93 2k9a n SER 17 Ca -0.01 -2.22 -0.21 0.00 -0.26 0.00 0.00 58.87 56.17 2k9a n SER 17 Cb 0.63 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.40 2.79 0.29 4.04 8.00 -1.12 -5.01 116.55 126.94 2k9a n ASP 18 Ca 0.25 -2.43 0.16 0.00 0.71 0.00 0.00 54.79 53.48 2k9a n ASP 18 Cb 0.76 0.19 0.91 0.00 -0.02 0.00 0.00 41.12 42.95 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a h ALA 19 N 1.08 1.25 -0.65 2.24 0.00 -1.93 -2.76 119.26 118.50 2k9a h ALA 19 Ca -0.27 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 19 Cb 0.84 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2k9a h ALA 19 CO 0.44 0.06 0.35 0.93 0.00 0.00 0.00 179.25 181.03 2k9a h GLU 20 N 0.00 0.62 -0.73 0.00 5.08 -1.95 -1.80 114.58 115.79 2k9a h GLU 20 Ca -0.00 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 20 Cb 0.17 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 2k9a h GLU 20 CO 0.01 0.41 0.39 0.35 -1.00 0.00 0.00 179.01 179.17 2k9a h PHE 21 N 0.64 0.71 -0.48 4.33 3.57 -0.89 -0.78 116.94 124.03 2k9a h PHE 21 Ca 0.29 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 2k9a h PHE 21 Cb 0.20 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2k9a h PHE 21 CO -0.09 0.29 -0.03 0.22 -2.23 0.00 0.00 178.31 176.47 2k9a h ASP 22 N 0.67 0.79 -0.17 0.41 3.58 -1.52 -2.64 116.42 117.54 2k9a h ASP 22 Ca 0.35 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2k9a h ASP 22 Cb 0.32 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k9a h ASP 22 CO -0.24 0.87 0.04 0.00 -2.88 0.00 0.00 179.24 177.03 2k9a h ALA 23 N 1.21 0.23 -0.53 -0.78 0.00 -0.45 -2.43 119.26 116.51 2k9a h ALA 23 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k9a h ALA 23 Cb 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k9a h ALA 23 CO 0.03 -0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.70 2k9a h VAL 24 N 0.08 0.97 -0.70 0.00 2.07 -1.10 -1.40 116.25 116.16 2k9a h VAL 24 Ca 0.05 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2k9a h VAL 24 Cb 0.27 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2k9a h VAL 24 CO 0.00 0.10 0.46 0.58 0.02 0.00 0.00 177.57 178.73 2k9a h VAL 25 N 0.53 1.11 -0.14 2.57 2.07 -1.39 -2.44 116.25 118.56 2k9a h VAL 25 Ca 0.23 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k9a h VAL 25 Cb 0.13 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2k9a h VAL 25 CO -0.15 0.16 0.08 1.23 0.02 0.00 0.00 177.57 178.90 2k9a h GLY 26 N 0.86 0.20 0.87 2.17 0.00 -0.76 -2.53 103.07 103.88 2k9a h GLY 26 Ca 0.28 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.59 2k9a h GLY 26 CO -0.08 0.08 0.56 -0.97 0.00 0.00 0.00 176.54 176.14 2k9a h TYR 27 N 0.14 0.97 -0.44 5.60 0.05 -1.02 -1.71 116.97 120.57 2k9a h TYR 27 Ca 0.05 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.87 2k9a h TYR 27 Cb 0.04 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 2k9a h TYR 27 CO -0.05 0.50 0.26 -0.07 -1.05 0.00 0.00 178.16 177.74 2k9a h LEU 28 N 0.94 0.42 -0.89 3.88 3.38 -1.09 -2.28 115.31 119.67 2k9a h LEU 28 Ca 0.38 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.41 2k9a h LEU 28 Cb 0.25 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2k9a h LEU 28 CO -0.14 0.30 0.57 -0.33 0.09 0.00 0.00 178.44 178.92 2k9a h GLU 29 N 0.52 1.02 -0.28 1.13 5.08 -0.92 -0.37 114.58 120.76 2k9a h GLU 29 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k9a h GLU 29 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2k9a h GLU 29 CO -0.08 0.67 0.16 -0.44 -1.00 0.00 0.00 179.01 178.32 2k9a h ASP 30 N 1.05 0.33 0.38 1.42 3.32 -1.07 -0.72 116.42 121.14 2k9a h ASP 30 Ca 0.38 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.14 2k9a h ASP 30 Cb 0.13 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.61 2k9a h ASP 30 CO -0.16 0.27 -1.18 0.40 -1.72 0.00 0.00 179.24 176.84 2k9a h ILE 31 N 0.38 1.39 -0.03 0.35 2.04 -0.80 -2.78 117.51 118.07 2k9a h ILE 31 Ca 0.10 -2.70 -0.09 0.00 1.00 0.00 0.00 64.86 63.17 2k9a h ILE 31 Cb 0.01 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2k9a h ILE 31 CO -0.02 0.80 -0.40 0.40 0.00 0.00 0.00 178.15 178.93 2k9a h ILE 32 N 0.18 1.29 -0.26 -0.67 2.04 -0.50 -2.40 117.51 117.19 2k9a h ILE 32 Ca -0.15 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2k9a h ILE 32 Cb 1.87 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2k9a h ILE 32 CO 0.21 0.41 0.00 0.23 0.00 0.00 0.00 178.15 179.00 2k9a n MET 33 N -4.05 2.08 -2.37 2.37 2.81 -0.33 -4.78 117.12 112.85 2k9a n MET 33 Ca -0.02 -1.63 -0.42 0.00 -1.81 0.00 0.00 57.70 53.83 2k9a n MET 33 Cb 0.44 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.53 7.05 0.13 7.83 2.15 -0.90 -4.95 116.67 126.46 2k9a s ASP 34 Ca 0.35 2.16 -0.19 0.00 0.43 0.00 0.00 52.55 55.30 2k9a s ASP 34 Cb 0.20 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 2k9a s ASP 34 CO 0.28 -0.44 1.76 0.44 -0.17 0.00 0.00 175.17 177.05 2k9a h ASP 35 N 5.99 0.16 0.09 -0.34 3.32 -1.91 -1.48 116.42 122.25 2k9a h ASP 35 Ca -0.43 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2k9a h ASP 35 Cb 1.21 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2k9a h ASP 35 CO 0.78 0.13 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.31 2k9a h GLU 36 N 0.24 0.00 -0.07 3.56 4.57 -1.94 -1.58 114.58 119.35 2k9a h GLU 36 Ca 0.10 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.06 2k9a h GLU 36 Cb 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2k9a h GLU 36 CO -0.08 0.04 -0.84 0.35 -1.18 0.00 0.00 179.01 177.30 2k9a h PHE 37 N 0.00 0.82 -0.40 0.92 3.57 -1.56 -1.66 116.94 118.63 2k9a h PHE 37 Ca -0.00 -0.39 -0.14 0.00 3.53 0.00 0.00 57.97 60.97 2k9a h PHE 37 Cb 0.09 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2k9a h PHE 37 CO 0.00 1.20 -0.30 1.96 -2.23 0.00 0.00 178.31 178.95 2k9a h GLN 38 N 0.37 0.90 -0.26 1.11 4.20 -0.71 -0.96 115.11 119.77 2k9a h GLN 38 Ca -0.06 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 2k9a h GLN 38 Cb 1.46 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 2k9a h GLN 38 CO 0.16 1.09 -0.21 1.25 -0.67 0.00 0.00 178.83 180.45 2k9a h LEU 39 N 0.72 0.64 -0.39 1.46 6.46 -1.43 -2.31 115.31 120.46 2k9a h LEU 39 Ca 0.08 -0.45 -0.04 0.00 -0.12 0.00 0.00 57.88 57.34 2k9a h LEU 39 Cb 0.88 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2k9a h LEU 39 CO 0.08 0.96 0.08 0.25 -0.62 0.00 0.00 178.44 179.19 2k9a h LEU 40 N 0.33 0.61 0.38 2.25 6.46 -1.29 0.26 115.31 124.30 2k9a h LEU 40 Ca 0.05 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2k9a h LEU 40 Cb 0.75 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2k9a h LEU 40 CO 0.05 0.69 -0.18 -0.61 -0.62 0.00 0.00 178.44 177.78 2k9a h GLN 41 N 0.49 -0.49 -0.18 1.25 5.75 -1.18 -2.69 115.11 118.07 2k9a h GLN 41 Ca 0.12 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 2k9a h GLN 41 Cb 0.33 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2k9a h GLN 41 CO 0.00 -0.32 -0.20 0.00 -2.65 0.00 0.00 178.83 175.66 2k9a h ARG 42 N -0.51 0.31 -0.21 1.69 3.08 -1.42 -1.24 114.38 116.08 2k9a h ARG 42 Ca -0.05 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 59.93 2k9a h ARG 42 Cb 0.39 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2k9a h ARG 42 CO 0.08 0.51 0.03 -0.97 -1.07 0.00 0.00 179.97 178.55 2k9a h ASN 43 N 0.28 -0.02 0.15 7.04 -1.24 -0.71 -1.57 115.58 119.52 2k9a h ASN 43 Ca 0.05 0.04 -0.30 0.00 0.71 0.00 0.00 56.30 56.79 2k9a h ASN 43 Cb 0.53 0.05 0.03 0.00 0.73 0.00 0.00 38.32 39.66 2k9a h ASN 43 CO 0.04 0.02 -1.27 -0.26 -1.29 0.00 0.00 177.43 174.67 2k9a h PHE 44 N 0.11 1.00 -0.14 0.67 -1.00 -1.39 -3.24 116.94 112.95 2k9a h PHE 44 Ca 0.10 -0.65 0.04 0.00 2.81 0.00 0.00 57.97 60.27 2k9a h PHE 44 Cb 0.10 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2k9a h PHE 44 CO -0.16 1.49 0.16 0.52 -1.61 0.00 0.00 178.31 178.71 2k9a h MET 45 N 0.22 0.00 -0.11 1.51 2.86 -1.11 -0.04 114.93 118.26 2k9a h MET 45 Ca -0.20 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2k9a h MET 45 Cb 1.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.61 2k9a h MET 45 CO 0.24 0.00 0.02 0.22 1.06 0.00 0.00 176.91 178.46 2k9a h ASP 46 N 0.00 0.13 0.09 1.22 1.82 -1.30 -2.15 116.42 116.23 2k9a h ASP 46 Ca 0.07 -0.01 -0.37 0.00 -0.39 0.00 0.00 57.03 56.33 2k9a h ASP 46 Cb 0.39 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.31 2k9a h ASP 46 CO -0.00 0.14 -2.24 0.29 -1.61 0.00 0.00 179.24 175.82 2k9a n LYS 47 N -4.47 0.69 0.11 0.28 4.76 -0.13 -4.27 118.16 115.13 2k9a n LYS 47 Ca -0.01 0.17 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 2k9a n LYS 47 Cb 0.12 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2k9a h TYR 48 N 0.02 -0.61 0.00 2.13 -1.99 -1.12 -1.21 116.97 114.19 2k9a h TYR 48 Ca -0.50 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 2.01 0.25 0.00 0.00 2.00 0.00 0.00 36.73 41.00 2k9a h TYR 48 CO 0.03 -0.33 0.00 0.10 -0.00 0.00 0.00 178.16 177.97 2k9a h TYR 49 N -0.42 0.00 0.24 4.88 -0.00 -1.62 -0.61 116.97 119.44 2k9a h TYR 49 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.42 2k9a h TYR 49 Cb 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.21 2k9a h TYR 49 CO -0.21 0.00 -1.55 -0.07 -0.00 0.00 0.00 178.16 176.33 2k9a h LEU 50 N 0.00 0.81 -0.10 0.10 3.38 -1.42 -3.33 115.31 114.74 2k9a h LEU 50 Ca 0.00 -0.92 -0.22 0.00 0.09 0.00 0.00 57.88 56.83 2k9a h LEU 50 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2k9a h LEU 50 CO 0.00 1.73 -1.00 -0.33 0.09 0.00 0.00 178.44 178.94 2k9a h GLU 51 N 0.14 0.13 -5.79 1.13 4.39 -0.76 -3.41 114.58 110.42 2k9a h GLU 51 Ca -0.28 -0.19 -0.37 0.00 0.34 0.00 0.00 59.36 58.86 2k9a h GLU 51 Cb 2.16 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 30.81 2k9a h GLU 51 CO 0.26 1.02 0.97 -0.06 -1.16 0.00 0.00 179.01 180.03 2k9a s PHE 52 N -2.91 2.00 -0.05 4.33 0.40 -0.33 -4.95 117.98 116.47 2k9a s PHE 52 Ca -0.02 0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 2k9a s PHE 52 Cb 0.09 -4.20 -0.05 0.00 0.51 0.00 0.00 43.02 39.37 2k9a s PHE 52 CO 0.84 -1.75 0.30 -1.21 0.70 0.00 0.00 175.22 174.10 2k9a s GLU 53 N 6.45 3.77 -0.77 0.44 2.02 -1.26 -4.89 118.70 124.46 2k9a s GLU 53 Ca 0.64 0.20 -0.26 0.00 0.02 0.00 0.00 54.97 55.57 2k9a s GLU 53 Cb -0.04 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.97 2k9a s GLU 53 CO -0.01 0.69 1.54 0.16 0.02 0.00 0.00 175.26 177.66 2k9a s ASP 54 N -0.94 5.87 0.19 -0.19 -4.77 -1.26 -4.94 116.67 110.62 2k9a s ASP 54 Ca 0.20 -0.44 0.01 0.00 -3.30 0.00 0.00 52.55 49.02 2k9a s ASP 54 Cb -0.15 -2.55 -0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2k9a s ASP 54 CO 0.09 -2.03 0.04 0.35 0.70 0.00 0.00 175.17 174.33 2k9a n THR 55 N 6.86 0.00 0.38 2.11 -2.24 -1.26 -5.06 114.28 115.07 2k9a n THR 55 Ca 0.17 -1.00 0.04 0.00 -2.27 0.00 0.00 64.05 60.99 2k9a n THR 55 Cb 0.50 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 2k9a n THR 55 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k9a n GLU 56 N -0.44 3.63 -4.36 -0.78 0.28 -1.26 -5.00 120.64 112.71 2k9a n GLU 56 Ca -0.05 -0.18 -0.30 0.00 -0.16 0.00 0.00 57.16 56.48 2k9a n GLU 56 Cb 0.26 -0.93 -0.11 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.60 1.93 -0.01 3.44 -1.05 -1.26 -5.11 118.70 115.04 2k9a s GLU 57 Ca 0.04 -1.10 -0.27 0.00 -0.15 0.00 0.00 54.97 53.50 2k9a s GLU 57 Cb 0.06 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.54 2k9a s GLU 57 CO 0.30 0.50 0.83 -0.80 0.95 0.00 0.00 175.26 177.04 2k9a s ASN 58 N -2.00 7.21 0.17 0.83 0.01 -1.26 -5.06 114.94 114.84 2k9a s ASN 58 Ca 0.18 1.45 0.04 0.00 -0.71 0.00 0.00 52.86 53.82 2k9a s ASN 58 Cb -0.11 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 2k9a s ASN 58 CO 0.10 -0.13 0.26 -0.54 -1.51 0.00 0.00 177.10 175.28 2k9a s LYS 59 N 0.63 3.31 0.24 -0.60 1.02 -1.26 -5.00 119.74 118.08 2k9a s LYS 59 Ca 0.43 -0.70 0.26 0.00 0.02 0.00 0.00 55.97 55.98 2k9a s LYS 59 Cb -0.20 -2.87 0.78 0.00 -0.52 0.00 0.00 37.83 35.02 2k9a s LYS 59 CO 0.23 0.49 1.76 1.25 -0.92 0.00 0.00 175.35 178.16 2k9a h LEU 60 N 1.99 0.00 -1.75 3.17 5.85 -2.04 -3.15 115.31 119.38 2k9a h LEU 60 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2k9a h LEU 60 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k9a h LEU 60 CO 0.66 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.47 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.01 -2.09 117.51 123.56 2k9a h ILE 61 Ca 0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2k9a h ILE 61 Cb 0.73 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.24 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 0.11 2.19 0.05 -1.97 -2.86 116.97 114.49 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 62 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2k9a h TYR 62 CO 0.00 0.00 -0.05 1.15 -1.05 0.00 0.00 178.16 178.21 2k9a h THR 63 N 0.00 1.08 -0.41 -2.88 2.02 -1.61 -2.10 112.91 109.02 2k9a h THR 63 Ca 0.00 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 2k9a h THR 63 Cb 0.56 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2k9a h THR 63 CO 0.00 0.26 -0.04 1.55 0.37 0.00 0.00 175.52 177.66 2k9a h PRO 64 N -0.73 0.76 -0.59 6.66 0.13 -1.71 -2.24 132.00 134.27 2k9a h PRO 64 Ca -0.02 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2k9a h PRO 64 Cb 0.55 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.03 0.86 0.34 0.82 -0.23 0.00 0.00 178.00 179.81 2k9a h ILE 65 N 0.58 1.18 -0.17 -3.56 2.04 -1.62 -1.83 117.51 114.14 2k9a h ILE 65 Ca 0.11 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2k9a h ILE 65 Cb 0.54 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2k9a h ILE 65 CO 0.03 0.20 0.07 0.15 0.00 0.00 0.00 178.15 178.60 2k9a h PHE 66 N 0.79 0.26 -0.00 1.37 3.57 -1.33 -2.23 116.94 119.36 2k9a h PHE 66 Ca 0.21 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 66 Cb 0.02 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2k9a h PHE 66 CO -0.02 0.31 0.00 -0.91 -2.23 0.00 0.00 178.31 175.47 2k9a h ASN 67 N 0.13 0.00 -0.13 0.41 2.35 -1.22 -1.67 115.58 115.45 2k9a h ASN 67 Ca 0.06 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 2k9a h ASN 67 Cb 0.16 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.54 2k9a h ASN 67 CO -0.01 0.00 -0.58 -0.08 -1.65 0.00 0.00 177.43 175.11 2k9a h GLU 68 N 0.00 0.63 -0.41 0.81 4.57 -0.75 -1.76 114.58 117.68 2k9a h GLU 68 Ca 0.00 -0.50 -0.11 0.00 -1.18 0.00 0.00 59.36 57.57 2k9a h GLU 68 Cb 0.01 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2k9a h GLU 68 CO -0.00 1.12 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.86 2k9a h TYR 69 N 0.29 0.96 0.00 0.92 3.20 -0.94 -0.03 116.97 121.37 2k9a h TYR 69 Ca -0.03 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 2k9a h TYR 69 Cb 1.22 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2k9a h TYR 69 CO 0.10 0.99 -0.46 0.82 -1.64 0.00 0.00 178.16 177.97 2k9a h ILE 70 N 0.65 1.18 0.15 1.81 1.08 -1.39 -0.93 117.51 120.06 2k9a h ILE 70 Ca 0.09 -1.66 -0.33 0.00 -0.39 0.00 0.00 64.86 62.57 2k9a h ILE 70 Cb 0.73 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 36.41 2k9a h ILE 70 CO 0.05 0.45 -1.68 -1.28 -0.69 0.00 0.00 178.15 175.01 2k9a h SER 71 N 0.00 0.50 0.00 1.72 0.87 -1.19 -3.32 113.55 112.13 2k9a h SER 71 Ca -0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2k9a h SER 71 Cb 0.90 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2k9a h SER 71 CO 0.06 1.63 -0.36 0.25 -0.53 0.00 0.00 176.83 177.88 2k9a h LEU 72 N 0.09 0.00 0.64 2.23 5.85 -1.02 -3.34 115.31 119.76 2k9a h LEU 72 Ca -0.31 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2k9a h LEU 72 Cb 2.06 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.10 2k9a h LEU 72 CO 0.16 0.58 -0.31 0.58 -0.34 0.00 0.00 178.44 179.11 2k9a h VAL 73 N -0.80 0.27 -0.95 1.05 2.07 -1.35 0.50 116.25 117.05 2k9a h VAL 73 Ca 0.00 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.46 2k9a h VAL 73 Cb 0.36 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 2k9a h VAL 73 CO 0.00 0.02 0.55 -0.08 0.02 0.00 0.00 177.57 178.09 2k9a h GLU 74 N -1.03 0.74 0.00 1.57 4.81 -1.58 0.12 114.58 119.20 2k9a h GLU 74 Ca -0.09 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 2k9a h GLU 74 Cb 0.70 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2k9a h GLU 74 CO 0.15 0.49 -0.52 0.87 -0.73 0.00 0.00 179.01 179.26 2k9a h LYS 75 N 0.76 0.00 -0.00 1.92 1.57 -1.66 -2.71 116.57 116.45 2k9a h LYS 75 Ca 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2k9a h LYS 75 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2k9a h LYS 75 CO -0.35 0.52 0.00 -0.92 -0.57 0.00 0.00 179.45 178.13 2k9a h TYR 76 N 0.00 0.01 -0.30 -1.35 3.20 0.16 -0.46 116.97 118.22 2k9a h TYR 76 Ca -0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2k9a h TYR 76 Cb 1.18 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2k9a h TYR 76 CO 0.00 0.08 -0.14 0.82 -1.64 0.00 0.00 178.16 177.28 2k9a h ILE 77 N -0.08 1.29 -0.04 1.81 2.04 -1.48 -2.74 117.51 118.32 2k9a h ILE 77 Ca 0.00 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.64 2k9a h ILE 77 Cb 0.08 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2k9a h ILE 77 CO -0.00 0.40 -0.07 -0.08 0.00 0.00 0.00 178.15 178.40 2k9a h GLU 78 N 0.38 -0.10 -0.45 2.37 4.81 -1.40 -2.31 114.58 117.88 2k9a h GLU 78 Ca 0.07 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2k9a h GLU 78 Cb 0.66 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2k9a h GLU 78 CO 0.04 -0.07 0.27 0.93 -0.73 0.00 0.00 179.01 179.46 2k9a h GLU 79 N -0.10 0.53 -0.59 1.92 5.08 -1.11 -1.16 114.58 119.14 2k9a h GLU 79 Ca 0.04 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2k9a h GLU 79 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2k9a h GLU 79 CO -0.10 0.35 0.39 1.96 -1.00 0.00 0.00 179.01 180.61 2k9a h GLN 80 N 0.54 0.61 0.15 2.33 1.08 -1.25 -1.86 115.11 116.71 2k9a h GLN 80 Ca 0.18 -0.04 -0.29 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 80 Cb 0.00 -0.14 0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2k9a h GLN 80 CO -0.08 0.40 -1.28 -0.07 -0.95 0.00 0.00 178.83 176.86 2k9a h LEU 81 N 0.63 0.67 -1.60 1.46 3.38 -0.92 -3.27 115.31 115.66 2k9a h LEU 81 Ca 0.25 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2k9a h LEU 81 Cb 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k9a h LEU 81 CO -0.07 1.51 -0.13 -0.07 0.09 0.00 0.00 178.44 179.77 2k9a h LEU 82 N 0.16 0.00 -2.48 1.67 -0.00 -0.72 -2.25 115.31 111.69 2k9a h LEU 82 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2k9a h LEU 82 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 2k9a h LEU 82 CO 0.23 0.13 0.17 1.56 -0.00 0.00 0.00 178.44 180.53 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.40 -2.07 115.11 116.97 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 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2k9a h GLN 83 CO 0.02 0.00 -0.12 0.54 -0.67 0.00 0.00 178.83 178.60 2k9a n ARG 84 N -2.98 4.85 -3.73 1.46 1.74 -1.03 -4.94 116.66 112.03 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 0.23 -0.47 -0.14 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.91 1.19 -1.29 0.55 1.01 -0.78 -4.96 121.20 116.02 2k9a s ILE 85 Ca 0.00 -2.05 0.24 0.00 0.00 0.00 0.00 60.65 58.85 2k9a s ILE 85 Cb 0.00 -1.86 0.35 0.00 0.01 0.00 0.00 42.46 40.96 2k9a s ILE 85 CO 0.00 -0.80 1.80 -0.81 0.00 0.00 0.00 174.94 175.14 2k9a n PRO 86 N 4.12 0.23 -0.25 2.79 -0.04 -1.25 -2.69 135.00 137.93 2k9a n PRO 86 Ca 0.04 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2k9a n PRO 86 Cb 0.38 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.36 2.60 -1.89 0.54 1.02 -1.26 -5.04 120.64 115.26 2k9a n GLU 87 Ca 0.10 -2.42 -0.37 0.00 -0.02 0.00 0.00 57.16 54.44 2k9a n GLU 87 Cb 0.22 -1.53 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -2.14 2.34 -0.48 -0.32 5.36 -1.09 -5.00 117.98 116.63 2k9a s PHE 88 Ca 0.30 1.45 0.03 0.00 -0.96 0.00 0.00 56.93 57.75 2k9a s PHE 88 Cb 0.23 -3.65 0.15 0.00 -0.34 0.00 0.00 43.02 39.41 2k9a s PHE 88 CO 0.08 -2.58 0.30 -0.80 -1.46 0.00 0.00 175.22 170.77 2k9a s ASN 89 N -1.24 3.48 0.56 6.13 0.02 -1.26 -4.95 114.94 117.67 2k9a s ASN 89 Ca 0.74 -2.93 0.32 0.00 -1.02 0.00 0.00 52.86 49.97 2k9a s ASN 89 Cb -0.36 -1.04 1.62 0.00 0.02 0.00 0.00 41.25 41.49 2k9a s ASN 89 CO 0.41 -0.22 2.12 -0.03 0.02 0.00 0.00 177.10 179.40 2k9a h MET 90 N 6.29 0.00 0.16 -0.60 4.05 -1.98 -0.25 114.93 122.60 2k9a h MET 90 Ca 0.07 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2k9a h MET 90 Cb 0.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 2k9a h MET 90 CO 0.51 0.08 -0.07 0.00 0.23 0.00 0.00 176.91 177.65 2k9a h ALA 91 N 1.92 -0.21 0.00 0.39 0.00 -2.00 -2.36 119.26 117.01 2k9a h ALA 91 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2k9a h ALA 91 Cb 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k9a h ALA 91 CO 0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 179.25 178.62 2k9a h ALA 92 N -0.30 1.07 -0.15 0.00 0.00 -1.96 -2.82 119.26 115.10 2k9a h ALA 92 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2k9a h ALA 92 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k9a h ALA 92 CO 0.04 0.44 -0.26 0.35 0.00 0.00 0.00 179.25 179.82 2k9a h PHE 93 N 0.00 0.55 -0.03 0.00 3.57 -1.11 -2.45 116.94 117.48 2k9a h PHE 93 Ca -0.00 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2k9a h PHE 93 Cb 0.81 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k9a h PHE 93 CO 0.00 0.88 0.01 1.79 -2.23 0.00 0.00 178.31 178.76 2k9a h THR 94 N 0.07 1.20 -0.73 4.41 1.35 -1.38 0.17 112.91 118.00 2k9a h THR 94 Ca 0.01 -0.61 0.03 0.00 -0.55 0.00 0.00 66.41 65.29 2k9a h THR 94 Cb 0.84 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 2k9a h THR 94 CO 0.06 0.16 0.48 0.00 -0.25 0.00 0.00 175.52 175.98 2k9a h THR 95 N -0.19 1.11 0.00 6.82 1.03 -1.59 -1.41 112.91 118.68 2k9a h THR 95 Ca 0.01 -0.31 -0.18 0.00 -0.01 0.00 0.00 66.41 65.93 2k9a h THR 95 Cb 0.26 0.14 -0.02 0.00 -1.07 0.00 0.00 68.15 67.46 2k9a h THR 95 CO 0.00 0.16 -0.85 0.74 -0.01 0.00 0.00 175.52 175.56 2k9a h THR 96 N 0.89 1.60 -0.54 0.00 2.02 -1.28 -3.23 112.91 112.37 2k9a h THR 96 Ca 0.29 -2.88 -0.04 0.00 0.77 0.00 0.00 66.41 64.55 2k9a h THR 96 Cb 0.06 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 2k9a h THR 96 CO -0.08 0.82 0.18 0.25 0.37 0.00 0.00 175.52 177.06 2k9a h LEU 97 N 0.01 0.74 -1.00 2.58 6.46 0.43 -2.42 115.31 122.12 2k9a h LEU 97 Ca -0.01 -0.11 0.19 0.00 -0.12 0.00 0.00 57.88 57.83 2k9a h LEU 97 Cb 1.50 -0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 41.13 2k9a h LEU 97 CO 0.11 0.70 0.60 1.56 -0.62 0.00 0.00 178.44 180.79 2k9a h GLN 98 N 0.79 0.72 0.19 1.25 1.08 -1.45 0.27 115.11 117.96 2k9a h GLN 98 Ca 0.18 -0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 98 Cb 0.22 -0.16 0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2k9a h GLN 98 CO -0.01 0.48 -1.23 0.45 -0.95 0.00 0.00 178.83 177.57 2k9a h HIS 99 N 0.74 0.88 0.00 2.96 3.86 -1.65 -3.19 115.15 118.75 2k9a h HIS 99 Ca 0.58 -0.61 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k9a h HIS 99 Cb 0.92 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2k9a h HIS 99 CO -0.01 1.47 0.00 0.72 0.86 0.00 0.00 177.93 180.97 2k9a n HIS 100 N -3.86 0.00 0.28 2.45 8.25 -0.40 -2.65 115.22 119.28 2k9a n HIS 100 Ca -0.15 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.47 2k9a n HIS 100 Cb 0.99 -0.00 0.78 0.00 1.12 0.00 0.00 29.99 32.88 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 -0.50 -0.50 116.57 118.80 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2k9a h LYS 101 CO 0.00 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.00 2k9a n ASP 102 N -3.30 0.00 -0.01 4.20 8.00 -1.09 -4.20 116.55 120.16 2k9a n ASP 102 Ca -0.01 0.19 -0.03 0.00 0.71 0.00 0.00 54.79 55.65 2k9a n ASP 102 Cb 0.25 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2k9a n GLU 103 N -1.39 0.17 -0.78 -1.24 4.07 -0.49 -5.05 120.64 115.93 2k9a n GLU 103 Ca 0.10 0.07 -0.31 0.00 -0.06 0.00 0.00 57.16 56.96 2k9a n GLU 103 Cb 0.28 -0.75 0.16 0.00 -0.06 0.00 0.00 31.44 31.07 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 -2.11 2.11 -0.36 6.31 0.11 -0.32 -4.81 120.40 121.33 2k9a s VAL 104 Ca -0.09 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.68 2k9a s VAL 104 Cb 0.01 -2.13 -0.09 0.00 -1.53 0.00 0.00 36.38 32.64 2k9a s VAL 104 CO 0.14 -0.05 2.27 0.00 -3.33 0.00 0.00 175.10 174.14 2k9a n ALA 105 N -4.07 1.23 0.18 1.54 0.00 -1.26 -4.81 120.51 113.32 2k9a n ALA 105 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.31 2k9a n ALA 105 Cb 0.52 -2.78 0.44 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 14.56 0.09 1.26 0.00 0.00 -1.87 -2.62 103.07 114.49 2k9a h GLY 106 Ca -0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2k9a h GLY 106 CO 1.04 0.05 0.10 -1.80 0.00 0.00 0.00 176.54 175.94 2k9a h ASP 107 N 0.08 0.86 -0.00 0.19 3.58 -1.96 0.43 116.42 119.60 2k9a h ASP 107 Ca 0.01 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2k9a h ASP 107 Cb 0.39 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k9a h ASP 107 CO 0.03 0.86 -0.01 0.40 -2.88 0.00 0.00 179.24 177.64 2k9a h ILE 108 N 0.87 1.50 0.00 2.25 2.04 -1.87 -3.22 117.51 119.08 2k9a h ILE 108 Ca 0.18 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 2k9a h ILE 108 Cb 0.37 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2k9a h ILE 108 CO 0.01 0.39 -0.21 0.15 0.00 0.00 0.00 178.15 178.48 2k9a h PHE 109 N -0.61 0.00 -1.06 1.37 3.57 -1.45 -2.76 116.94 115.99 2k9a h PHE 109 Ca -0.00 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 109 Cb 0.64 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2k9a h PHE 109 CO 0.15 0.21 0.85 0.22 -2.23 0.00 0.00 178.31 177.51 2k9a h ASP 110 N 0.00 0.00 0.09 0.41 3.58 -0.91 0.52 116.42 120.11 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k9a h ASP 110 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2k9a h ASP 110 CO 0.03 0.00 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.32 2k9a h MET 111 N 0.00 -0.11 0.00 0.28 4.05 -1.65 -3.20 114.93 114.30 2k9a h MET 111 Ca 0.51 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.92 2k9a h MET 111 Cb 2.20 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 33.02 2k9a h MET 111 CO -0.01 0.41 -0.09 -0.07 0.23 0.00 0.00 176.91 177.39 2k9a h LEU 112 N -0.76 0.00 -1.90 3.39 3.38 -0.74 -2.83 115.31 115.85 2k9a h LEU 112 Ca -0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 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 0.09 0.64 0.25 0.09 0.00 0.00 178.44 179.52 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.13 0.10 115.31 122.80 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 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 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 -3.90 0.34 0.27 1.05 -2.24 -1.07 -1.98 114.28 106.75 2k9a n THR 114 Ca 0.15 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 62.15 2k9a n THR 114 Cb 0.90 -1.09 0.77 0.00 -2.10 0.00 0.00 70.33 68.81 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.00 0.00 4.78 0.04 -1.07 -3.37 116.94 117.33 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.09 0.00 -2.37 -0.60 0.00 0.00 178.31 175.43 2k9a n THR 116 N -3.58 0.00 -2.63 -1.55 5.66 -0.96 -5.00 114.28 106.23 2k9a n THR 116 Ca -0.02 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.56 2k9a n THR 116 Cb 0.22 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k9a s ASP 117 N -0.45 6.75 0.54 1.09 1.11 -0.84 -4.78 116.67 120.09 2k9a s ASP 117 Ca 0.00 -2.17 0.23 0.00 0.18 0.00 0.00 52.55 50.78 2k9a s ASP 117 Cb 0.00 -2.55 1.50 0.00 1.07 0.00 0.00 42.92 42.94 2k9a s ASP 117 CO 0.00 -1.23 2.17 0.15 1.18 0.00 0.00 175.17 177.44 2k9a h PHE 118 N 8.28 0.00 -0.71 4.23 3.57 -1.88 -1.82 116.94 128.62 2k9a h PHE 118 Ca 0.34 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 118 Cb 0.92 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2k9a h PHE 118 CO 1.34 0.03 0.22 1.25 -2.23 0.00 0.00 178.31 178.92 2k9a h LEU 119 N 0.00 1.02 -0.31 0.59 5.85 -1.98 -2.06 115.31 118.42 2k9a h LEU 119 Ca -0.00 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.34 2k9a h LEU 119 Cb 0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2k9a h LEU 119 CO 0.00 0.95 -0.86 0.00 -0.34 0.00 0.00 178.44 178.20 2k9a h ALA 120 N 1.18 0.56 0.36 1.25 0.00 -1.74 -2.64 119.26 118.23 2k9a h ALA 120 Ca 0.23 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2k9a h ALA 120 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k9a h ALA 120 CO -0.01 0.95 -0.17 0.35 0.00 0.00 0.00 179.25 180.37 2k9a h PHE 121 N 0.07 -0.45 0.13 0.00 3.57 -1.14 0.10 116.94 119.22 2k9a h PHE 121 Ca -0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.48 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2k9a h PHE 121 CO 0.02 -0.20 -0.06 -0.22 -2.23 0.00 0.00 178.31 175.62 2k9a h LYS 122 N -0.62 -0.16 -0.18 1.11 3.64 -1.47 -2.46 116.57 116.43 2k9a h LYS 122 Ca -0.05 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2k9a h LYS 122 Cb 0.45 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2k9a h LYS 122 CO 0.08 -0.04 0.14 1.49 -2.27 0.00 0.00 179.45 178.85 2k9a h GLU 123 N -0.26 0.00 -0.16 1.90 4.81 -1.48 -1.95 114.58 117.45 2k9a h GLU 123 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2k9a h GLU 123 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2k9a h GLU 123 CO 0.03 0.00 0.01 1.98 -0.73 0.00 0.00 179.01 180.30 2k9a h MET 124 N 0.00 0.27 -0.54 1.92 4.05 -0.50 -2.57 114.93 117.56 2k9a h MET 124 Ca 0.09 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2k9a h MET 124 Cb 0.36 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2k9a h MET 124 CO -0.00 0.47 0.10 0.74 0.23 0.00 0.00 176.91 178.45 2k9a h PHE 125 N 0.03 0.94 -0.79 1.39 0.04 -1.10 -1.88 116.94 115.57 2k9a h PHE 125 Ca 0.05 -0.13 0.07 0.00 2.80 0.00 0.00 57.97 60.76 2k9a h PHE 125 Cb 0.34 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 2k9a h PHE 125 CO 0.03 0.83 0.47 -0.07 -0.60 0.00 0.00 178.31 178.97 2k9a h LEU 126 N 0.78 0.71 -0.35 1.54 4.07 -1.37 -0.23 115.31 120.47 2k9a h LEU 126 Ca 0.17 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.05 2k9a h LEU 126 Cb 0.39 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2k9a h LEU 126 CO 0.01 0.45 -0.18 -0.78 -1.08 0.00 0.00 178.44 176.85 2k9a h ASP 127 N 0.84 0.77 -0.44 -0.43 3.58 -1.29 -2.63 116.42 116.83 2k9a h ASP 127 Ca 0.35 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2k9a h ASP 127 Cb 0.21 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2k9a h ASP 127 CO -0.19 1.02 0.23 0.22 -2.88 0.00 0.00 179.24 177.64 2k9a h TYR 128 N 0.53 0.65 -0.35 0.28 3.20 -0.73 -2.03 116.97 118.53 2k9a h TYR 128 Ca 0.08 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 128 Cb 0.73 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2k9a h TYR 128 CO 0.06 0.48 -0.14 -0.09 -1.64 0.00 0.00 178.16 176.83 2k9a h ARG 129 N 0.67 0.72 0.00 1.82 2.43 -0.93 -2.81 114.38 116.28 2k9a h ARG 129 Ca 0.17 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2k9a h ARG 129 Cb 0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2k9a h ARG 129 CO -0.02 0.90 -0.14 0.00 -1.51 0.00 0.00 179.97 179.20 2k9a h ALA 130 N 0.79 1.46 0.00 2.80 0.00 -1.07 -1.40 119.26 121.84 2k9a h ALA 130 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k9a h ALA 130 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k9a h ALA 130 CO 0.05 0.18 -0.10 1.49 0.00 0.00 0.00 179.25 180.87 2k9a h GLU 131 N 0.00 0.00 0.00 0.00 4.81 -1.11 -2.14 114.58 116.14 2k9a h GLU 131 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 131 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k9a h GLU 131 CO 0.02 0.10 0.00 1.63 -0.73 0.00 0.00 179.01 180.03 2k9a n LYS 132 N -3.29 0.26 0.00 1.92 4.76 -0.53 -2.40 118.16 118.89 2k9a n LYS 132 Ca -0.00 0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.65 2k9a n LYS 132 Cb 0.32 -1.50 0.43 0.00 -1.84 0.00 0.00 35.03 32.44 2k9a n LYS 132 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k9a n GLU 133 N -1.32 0.60 0.00 1.97 1.02 -0.80 -3.63 120.64 118.48 2k9a n GLU 133 Ca 0.10 -0.31 0.09 0.00 -0.02 0.00 0.00 57.16 57.02 2k9a n GLU 133 Cb 0.19 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.36 0.25 3.66 0.62 0.00 -1.01 -4.97 105.19 105.10 2k9a n GLY 134 Ca 0.11 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.55 4.13 0.00 1.61 3.52 -1.24 -5.17 118.95 120.25 2k9a s ARG 135 Ca 0.19 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.22 2k9a s ARG 135 Cb 0.14 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 2k9a s ARG 135 CO 0.26 -0.94 0.00 0.41 -0.81 0.00 0.00 175.30 174.22