#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 5.92 0.48 7.83 1.47 -1.26 -4.85 116.67 126.26 2k9a s ASP 2 Ca 0.00 0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.76 2k9a s ASP 2 Cb 0.00 -1.38 0.00 0.00 -0.34 0.00 0.00 42.92 41.20 2k9a s ASP 2 CO 0.00 -0.54 0.00 0.00 0.68 0.00 0.00 175.17 175.31 2k9a n ALA 3 N -1.83 -3.49 -0.84 2.11 0.00 -1.26 -4.93 120.51 110.27 2k9a n ALA 3 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2k9a n ALA 3 Cb 0.58 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2k9a n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 4 N -4.18 0.00 -0.05 0.00 7.99 -1.26 -4.12 117.00 115.38 2k9a n LEU 4 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.82 2k9a n LEU 4 Cb 0.63 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.86 2k9a n LEU 4 CO 0.03 -1.15 0.53 -0.33 -1.51 0.00 0.00 177.39 174.96 2k9a h GLU 5 N 0.00 0.44 0.00 3.23 5.08 -1.97 -3.50 114.58 117.85 2k9a h GLU 5 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2k9a h GLU 5 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k9a h GLU 5 CO 0.00 0.86 0.00 0.41 -1.00 0.00 0.00 179.01 179.28 2k9a n GLY 6 N 0.36 2.44 0.52 -3.84 0.00 -1.26 -4.87 105.19 98.54 2k9a n GLY 6 Ca -0.06 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.03 2k9a n GLY 6 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k9a n GLU 7 N 0.53 1.22 0.24 1.61 0.28 -1.26 -4.45 120.64 118.81 2k9a n GLU 7 Ca 0.00 -1.43 0.13 0.00 -0.16 0.00 0.00 57.16 55.70 2k9a n GLU 7 Cb 0.00 -1.24 0.37 0.00 1.43 0.00 0.00 31.44 32.01 2k9a n GLU 7 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2k9a h SER 8 N 2.22 0.00 -3.31 -1.84 0.02 -1.94 -3.44 113.55 105.25 2k9a h SER 8 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2k9a h SER 8 Cb 0.55 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2k9a h SER 8 CO 0.00 0.04 -0.07 -0.36 -1.14 0.00 0.00 176.83 175.31 2k9a s PHE 9 N -3.40 3.58 0.00 3.45 0.08 -1.26 -4.89 117.98 115.54 2k9a s PHE 9 Ca 0.04 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.13 2k9a s PHE 9 Cb 0.07 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 2k9a s PHE 9 CO 0.63 0.22 0.39 0.00 -0.10 0.00 0.00 175.22 176.35 2k9a n ALA 10 N 3.38 1.55 -1.42 5.36 0.00 -1.26 -4.98 120.51 123.13 2k9a n ALA 10 Ca -0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2k9a n ALA 10 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 -0.88 -3.56 0.00 4.77 -1.26 -4.90 117.00 111.17 2k9a n LEU 11 Ca 0.00 0.37 -0.17 0.00 -0.03 0.00 0.00 56.01 56.18 2k9a n LEU 11 Cb 0.52 -2.62 -0.06 0.00 -2.33 0.00 0.00 43.42 38.93 2k9a n LEU 11 CO 0.00 -1.00 0.37 -0.94 -1.33 0.00 0.00 177.39 174.50 2k9a s SER 12 N -2.47 -0.59 -0.23 -1.43 1.04 -1.26 -5.17 113.70 103.59 2k9a s SER 12 Ca 0.00 0.64 -0.19 0.00 0.48 0.00 0.00 55.95 56.88 2k9a s SER 12 Cb 0.00 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.71 2k9a s SER 12 CO 0.00 -0.57 0.61 0.72 0.98 0.00 0.00 173.24 174.97 2k9a s PHE 13 N -1.16 -0.72 0.00 5.02 -0.71 -1.26 -4.79 117.98 114.35 2k9a s PHE 13 Ca -0.11 1.68 0.00 0.00 -1.04 0.00 0.00 56.93 57.46 2k9a s PHE 13 Cb -0.01 0.29 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 2k9a s PHE 13 CO 0.09 -0.36 0.00 -1.13 -1.34 0.00 0.00 175.22 172.48 2k9a n SER 14 N 3.12 0.00 0.00 1.98 3.41 -1.26 -4.99 113.62 115.87 2k9a n SER 14 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2k9a n SER 14 Cb 0.56 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2k9a n SER 15 N -1.83 0.00 0.33 4.04 3.41 -1.26 -4.87 113.62 113.43 2k9a n SER 15 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2k9a n SER 15 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 0.00 -0.89 0.00 7.33 0.00 -1.94 -2.09 119.26 121.67 2k9a h ALA 16 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 16 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k9a h ALA 16 CO 0.00 -0.82 0.00 0.43 0.00 0.00 0.00 179.25 178.86 2k9a n SER 17 N -5.28 0.00 -4.96 0.00 7.64 -1.26 -4.37 113.62 105.39 2k9a n SER 17 Ca -0.11 -0.59 -0.22 0.00 1.01 0.00 0.00 58.87 58.95 2k9a n SER 17 Cb 0.34 -0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.51 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k9a s ASP 18 N -2.12 5.49 0.63 6.43 2.15 -1.14 -4.97 116.67 123.13 2k9a s ASP 18 Ca 0.33 0.18 0.36 0.00 0.43 0.00 0.00 52.55 53.85 2k9a s ASP 18 Cb 0.16 -1.20 2.09 0.00 -0.30 0.00 0.00 42.92 43.68 2k9a s ASP 18 CO 0.29 -0.99 2.30 0.00 -0.17 0.00 0.00 175.17 176.60 2k9a h ALA 19 N 0.15 1.30 -0.17 3.66 0.00 -1.87 -2.76 119.26 119.57 2k9a h ALA 19 Ca -0.44 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2k9a h ALA 19 Cb 1.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2k9a h ALA 19 CO 0.55 -0.02 -0.06 1.49 0.00 0.00 0.00 179.25 181.22 2k9a h GLU 20 N 0.00 -0.02 0.03 0.00 4.22 -1.90 0.27 114.58 117.18 2k9a h GLU 20 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k9a h GLU 20 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k9a h GLU 20 CO -0.00 -0.01 -0.01 0.35 -2.18 0.00 0.00 179.01 177.15 2k9a h PHE 21 N -0.02 -0.04 -0.11 0.92 3.57 -1.07 -2.66 116.94 117.53 2k9a h PHE 21 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 21 Cb 0.15 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2k9a h PHE 21 CO -0.21 0.21 0.09 -0.44 -2.23 0.00 0.00 178.31 175.74 2k9a h ASP 22 N -0.28 0.00 0.33 0.41 5.19 -1.54 -2.42 116.42 118.10 2k9a h ASP 22 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2k9a h ASP 22 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2k9a h ASP 22 CO 0.01 0.00 -0.16 0.00 -3.12 0.00 0.00 179.24 175.97 2k9a h ALA 23 N 1.92 -0.44 -0.88 3.45 0.00 -0.13 -2.26 119.26 120.93 2k9a h ALA 23 Ca 0.05 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2k9a h ALA 23 Cb 0.24 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2k9a h ALA 23 CO -0.00 -0.60 0.52 0.28 0.00 0.00 0.00 179.25 179.45 2k9a h VAL 24 N -0.73 0.92 -0.68 0.00 2.07 -1.15 -0.30 116.25 116.38 2k9a h VAL 24 Ca -0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2k9a h VAL 24 Cb 0.50 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2k9a h VAL 24 CO 0.07 0.16 0.43 0.58 0.02 0.00 0.00 177.57 178.83 2k9a h VAL 25 N 0.87 1.18 -0.30 2.57 2.07 -1.40 -2.10 116.25 119.14 2k9a h VAL 25 Ca 0.42 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2k9a h VAL 25 Cb 0.38 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2k9a h VAL 25 CO -0.25 0.19 0.13 1.23 0.02 0.00 0.00 177.57 178.89 2k9a h GLY 26 N 0.95 0.47 1.02 2.17 0.00 -0.44 -2.47 103.07 104.77 2k9a h GLY 26 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k9a h GLY 26 CO -0.05 0.23 0.62 -0.97 0.00 0.00 0.00 176.54 176.37 2k9a h TYR 27 N 0.34 1.26 -0.54 5.60 0.05 -1.05 -2.44 116.97 120.19 2k9a h TYR 27 Ca 0.10 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.93 2k9a h TYR 27 Cb 0.15 -0.42 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 2k9a h TYR 27 CO -0.01 0.82 0.30 -0.07 -1.05 0.00 0.00 178.16 178.14 2k9a h LEU 28 N 1.34 0.45 -0.92 3.88 3.38 -1.13 -1.88 115.31 120.44 2k9a h LEU 28 Ca 0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2k9a h LEU 28 Cb -0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2k9a h LEU 28 CO -0.07 0.31 0.59 -0.33 0.09 0.00 0.00 178.44 179.03 2k9a h GLU 29 N 0.58 1.22 -0.22 1.13 5.08 -0.99 -1.51 114.58 119.88 2k9a h GLU 29 Ca 0.23 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2k9a h GLU 29 Cb 0.10 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2k9a h GLU 29 CO -0.14 0.82 -0.06 0.22 -1.00 0.00 0.00 179.01 178.85 2k9a h ASP 30 N 1.25 0.31 -0.05 1.42 3.58 -1.02 -2.53 116.42 119.39 2k9a h ASP 30 Ca 0.33 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.50 2k9a h ASP 30 Cb -0.11 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 40.86 2k9a h ASP 30 CO -0.07 0.42 -0.83 0.40 -2.88 0.00 0.00 179.24 176.28 2k9a h ILE 31 N 0.32 1.29 -0.71 2.25 2.04 -0.59 -2.74 117.51 119.39 2k9a h ILE 31 Ca 0.07 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 2k9a h ILE 31 Cb 0.32 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2k9a h ILE 31 CO 0.01 0.65 0.25 0.40 0.00 0.00 0.00 178.15 179.46 2k9a h ILE 32 N 0.47 1.25 -0.31 -0.67 2.04 -1.03 -1.95 117.51 117.31 2k9a h ILE 32 Ca -0.07 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2k9a h ILE 32 Cb 1.46 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2k9a h ILE 32 CO 0.17 0.32 0.00 0.23 0.00 0.00 0.00 178.15 178.87 2k9a n MET 33 N -4.28 1.79 -2.51 2.37 2.81 -0.98 -4.69 117.12 111.64 2k9a n MET 33 Ca 0.06 -1.22 -0.41 0.00 -1.81 0.00 0.00 57.70 54.32 2k9a n MET 33 Cb 0.20 -1.30 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.12 7.22 0.09 7.83 2.15 -0.73 -4.96 116.67 127.14 2k9a s ASP 34 Ca 0.25 2.02 -0.23 0.00 0.43 0.00 0.00 52.55 55.03 2k9a s ASP 34 Cb 0.13 -2.59 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 2k9a s ASP 34 CO 0.18 -0.30 1.74 -0.78 -0.17 0.00 0.00 175.17 175.84 2k9a h ASP 35 N 5.81 -0.00 0.16 -0.34 3.58 -1.90 -1.50 116.42 122.22 2k9a h ASP 35 Ca -0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.02 2k9a h ASP 35 Cb 1.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k9a h ASP 35 CO 0.75 -0.00 -0.02 -0.08 -2.88 0.00 0.00 179.24 177.02 2k9a h GLU 36 N 0.00 0.00 0.06 0.28 4.57 -1.94 -1.23 114.58 116.33 2k9a h GLU 36 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2k9a h GLU 36 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2k9a h GLU 36 CO -0.00 0.02 -0.55 0.35 -1.18 0.00 0.00 179.01 177.64 2k9a h PHE 37 N 0.00 0.43 -0.27 0.92 3.57 -1.59 -2.70 116.94 117.30 2k9a h PHE 37 Ca -0.00 -0.28 -0.11 0.00 3.53 0.00 0.00 57.97 61.11 2k9a h PHE 37 Cb 0.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2k9a h PHE 37 CO 0.00 1.16 -0.29 1.96 -2.23 0.00 0.00 178.31 178.91 2k9a h GLN 38 N -0.42 0.56 0.24 1.11 4.20 -0.80 -1.16 115.11 118.84 2k9a h GLN 38 Ca -0.09 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2k9a h GLN 38 Cb 1.37 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2k9a h GLN 38 CO 0.11 0.80 -0.12 1.25 -0.67 0.00 0.00 178.83 180.20 2k9a h LEU 39 N 0.49 -0.27 -1.15 1.46 7.12 -1.34 -2.28 115.31 119.33 2k9a h LEU 39 Ca 0.06 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.83 2k9a h LEU 39 Cb 0.76 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 2k9a h LEU 39 CO 0.06 0.11 0.36 0.25 -0.13 0.00 0.00 178.44 179.09 2k9a h LEU 40 N -0.70 0.85 0.34 2.25 6.46 -1.49 -1.17 115.31 121.85 2k9a h LEU 40 Ca -0.03 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2k9a h LEU 40 Cb 0.48 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2k9a h LEU 40 CO 0.05 0.69 -0.16 -0.61 -0.62 0.00 0.00 178.44 177.80 2k9a h GLN 41 N 0.95 -0.44 -0.18 1.25 4.15 -1.19 -2.53 115.11 117.11 2k9a h GLN 41 Ca 0.24 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 2k9a h GLN 41 Cb 0.05 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2k9a h GLN 41 CO -0.04 -0.26 -0.09 -0.09 -1.93 0.00 0.00 178.83 176.42 2k9a h ARG 42 N -0.50 0.29 -0.09 1.69 2.43 -1.26 -0.47 114.38 116.46 2k9a h ARG 42 Ca -0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k9a h ARG 42 Cb 0.38 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2k9a h ARG 42 CO 0.08 0.39 0.05 -0.97 -1.51 0.00 0.00 179.97 178.01 2k9a h ASN 43 N 0.27 0.08 0.16 -3.80 -0.73 -0.94 -1.62 115.58 109.00 2k9a h ASN 43 Ca 0.06 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.93 2k9a h ASN 43 Cb 0.34 -0.02 0.03 0.00 0.27 0.00 0.00 38.32 38.95 2k9a h ASN 43 CO 0.02 0.06 -1.27 -0.26 -0.37 0.00 0.00 177.43 175.61 2k9a h PHE 44 N 0.11 0.99 -0.08 0.67 -1.00 -1.31 -3.22 116.94 113.11 2k9a h PHE 44 Ca 0.04 -0.64 0.02 0.00 2.81 0.00 0.00 57.97 60.20 2k9a h PHE 44 Cb -0.00 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 2k9a h PHE 44 CO -0.08 1.48 0.10 0.52 -1.61 0.00 0.00 178.31 178.71 2k9a h MET 45 N 0.26 0.00 -0.09 1.51 2.86 -1.03 -0.16 114.93 118.29 2k9a h MET 45 Ca -0.19 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2k9a h MET 45 Cb 1.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2k9a h MET 45 CO 0.24 0.00 -0.15 0.22 1.06 0.00 0.00 176.91 178.28 2k9a h ASP 46 N 0.00 0.13 0.04 1.22 3.58 -1.30 -1.84 116.42 118.25 2k9a h ASP 46 Ca 0.04 -0.02 -0.36 0.00 0.42 0.00 0.00 57.03 57.11 2k9a h ASP 46 Cb 0.23 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2k9a h ASP 46 CO -0.00 0.30 -2.02 1.17 -2.88 0.00 0.00 179.24 175.81 2k9a n LYS 47 N -4.29 0.65 -0.13 0.28 3.00 -0.19 -4.10 118.16 113.37 2k9a n LYS 47 Ca -0.01 0.32 -0.04 0.00 -0.00 0.00 0.00 58.31 58.58 2k9a n LYS 47 Cb 0.26 -1.64 0.04 0.00 0.00 0.00 0.00 35.03 33.70 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 -0.45 0.08 0.00 5.64 -1.99 -1.22 -0.24 116.97 118.79 2k9a h TYR 48 Ca -0.50 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.26 2k9a h TYR 48 Cb 1.73 0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.49 2k9a h TYR 48 CO 0.04 -0.03 0.00 0.10 -0.00 0.00 0.00 178.16 178.27 2k9a h TYR 49 N 0.17 0.00 0.00 4.88 -0.00 -1.55 -2.62 116.97 117.86 2k9a h TYR 49 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.91 2k9a h TYR 49 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.02 2k9a h TYR 49 CO -0.24 0.00 -0.15 -0.07 -0.00 0.00 0.00 178.16 177.70 2k9a h LEU 50 N 0.00 0.13 -1.02 0.10 3.38 -1.20 -3.31 115.31 113.39 2k9a h LEU 50 Ca 0.00 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 2k9a h LEU 50 Cb 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2k9a h LEU 50 CO 0.00 0.92 0.38 -0.33 0.09 0.00 0.00 178.44 179.50 2k9a h GLU 51 N -0.65 1.08 -5.94 1.13 5.08 -1.23 -3.35 114.58 110.69 2k9a h GLU 51 Ca -0.02 -0.14 -0.59 0.00 -1.00 0.00 0.00 59.36 57.60 2k9a h GLU 51 Cb 0.94 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 2k9a h GLU 51 CO 0.03 0.82 1.71 -0.06 -1.00 0.00 0.00 179.01 180.50 2k9a s PHE 52 N -5.64 2.55 0.02 4.33 0.40 -1.01 -4.97 117.98 113.66 2k9a s PHE 52 Ca -0.11 -0.98 -0.16 0.00 -0.60 0.00 0.00 56.93 55.08 2k9a s PHE 52 Cb 0.17 -4.64 -0.06 0.00 0.51 0.00 0.00 43.02 39.00 2k9a s PHE 52 CO 0.81 -1.83 0.46 -1.83 0.70 0.00 0.00 175.22 173.53 2k9a s GLU 53 N 4.91 4.01 -0.82 0.44 1.03 -1.26 -4.85 118.70 122.16 2k9a s GLU 53 Ca 0.52 0.51 -0.25 0.00 0.03 0.00 0.00 54.97 55.79 2k9a s GLU 53 Cb 0.01 -3.23 -0.06 0.00 -0.80 0.00 0.00 34.13 30.05 2k9a s GLU 53 CO -0.01 0.66 2.02 0.16 -1.33 0.00 0.00 175.26 176.77 2k9a s ASP 54 N -1.05 4.95 0.19 0.83 -4.77 -1.26 -4.89 116.67 110.67 2k9a s ASP 54 Ca 0.25 -0.33 -0.03 0.00 -3.30 0.00 0.00 52.55 49.15 2k9a s ASP 54 Cb -0.18 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.07 2k9a s ASP 54 CO 0.15 -2.86 0.18 0.42 0.70 0.00 0.00 175.17 173.76 2k9a s THR 55 N 10.71 0.02 -0.49 2.11 -4.23 -1.26 -5.05 115.64 117.45 2k9a s THR 55 Ca 0.74 -1.86 0.23 0.00 -1.18 0.00 0.00 61.69 59.62 2k9a s THR 55 Cb -0.09 -2.34 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 2k9a s THR 55 CO 0.05 -0.10 1.00 -1.84 -0.54 0.00 0.00 174.62 173.20 2k9a n GLU 56 N -0.25 0.38 -2.46 3.99 0.28 -1.26 -4.88 120.64 116.44 2k9a n GLU 56 Ca -0.00 0.01 -0.43 0.00 -0.16 0.00 0.00 57.16 56.58 2k9a n GLU 56 Cb 0.65 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 31.86 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k9a s GLU 57 N -3.25 4.31 0.25 3.44 2.56 -1.26 -5.01 118.70 119.74 2k9a s GLU 57 Ca 0.02 1.65 -0.29 0.00 0.00 0.00 0.00 54.97 56.36 2k9a s GLU 57 Cb 0.13 -3.62 -0.09 0.00 2.00 0.00 0.00 34.13 32.55 2k9a s GLU 57 CO 0.80 -0.53 0.93 -0.80 -0.56 0.00 0.00 175.26 175.10 2k9a s ASN 58 N 1.62 7.56 0.04 -1.70 -0.87 -1.26 -5.07 114.94 115.26 2k9a s ASN 58 Ca 0.55 1.90 0.07 0.00 -1.57 0.00 0.00 52.86 53.81 2k9a s ASN 58 Cb -0.23 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 38.38 2k9a s ASN 58 CO 0.19 0.11 -0.19 -0.54 -2.57 0.00 0.00 177.10 174.10 2k9a s LYS 59 N -1.38 1.32 0.00 -0.60 1.02 -1.26 -5.02 119.74 113.82 2k9a s LYS 59 Ca 0.43 -0.90 0.29 0.00 0.02 0.00 0.00 55.97 55.81 2k9a s LYS 59 Cb -0.24 -1.41 1.33 0.00 -0.52 0.00 0.00 37.83 36.99 2k9a s LYS 59 CO 0.30 0.36 1.97 1.28 -0.92 0.00 0.00 175.35 178.34 2k9a n LEU 60 N 1.89 0.00 0.06 3.17 4.77 -1.26 -3.43 117.00 122.21 2k9a n LEU 60 Ca -0.17 0.43 0.08 0.00 -0.03 0.00 0.00 56.01 56.31 2k9a n LEU 60 Cb 0.54 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.53 2k9a n LEU 60 CO 0.23 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 177.02 2k9a n ILE 61 N -1.43 1.15 0.25 -0.08 0.13 -1.26 -2.20 119.36 115.92 2k9a n ILE 61 Ca 0.09 0.36 0.13 0.00 -1.10 0.00 0.00 62.75 62.23 2k9a n ILE 61 Cb 0.31 -1.24 0.58 0.00 -0.84 0.00 0.00 39.64 38.45 2k9a n ILE 61 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 2k9a h TYR 62 N 0.00 0.00 0.06 9.51 0.05 -2.00 -2.80 116.97 121.79 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 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2k9a h TYR 62 CO 0.00 0.15 -0.03 1.15 -1.05 0.00 0.00 178.16 178.38 2k9a h THR 63 N 0.00 1.22 -0.73 -2.88 2.02 -1.73 -2.56 112.91 108.25 2k9a h THR 63 Ca -0.00 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 2k9a h THR 63 Cb 0.60 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 2k9a h THR 63 CO 0.02 0.35 0.36 1.55 0.37 0.00 0.00 175.52 178.18 2k9a h PRO 64 N -0.84 1.04 -0.33 6.66 0.13 -1.73 -2.34 132.00 134.59 2k9a h PRO 64 Ca -0.01 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 2k9a h PRO 64 Cb 0.64 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2k9a h PRO 64 CO 0.01 0.80 0.13 0.82 -0.23 0.00 0.00 178.00 179.54 2k9a h ILE 65 N 1.01 1.18 -0.49 -3.56 2.04 -1.62 -2.58 117.51 113.49 2k9a h ILE 65 Ca 0.25 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2k9a h ILE 65 Cb 0.10 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2k9a h ILE 65 CO -0.03 0.20 0.24 0.15 0.00 0.00 0.00 178.15 178.70 2k9a h PHE 66 N 0.39 0.43 -0.66 1.37 3.57 -1.28 -2.17 116.94 118.59 2k9a h PHE 66 Ca 0.11 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 66 Cb 0.18 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 2k9a h PHE 66 CO -0.00 0.20 0.36 -0.91 -2.23 0.00 0.00 178.31 175.73 2k9a h ASN 67 N 0.46 0.53 -0.29 0.41 4.21 -1.27 -1.08 115.58 118.56 2k9a h ASN 67 Ca 0.22 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.75 2k9a h ASN 67 Cb 0.14 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 2k9a h ASN 67 CO -0.17 0.34 0.15 -0.08 -1.29 0.00 0.00 177.43 176.39 2k9a h GLU 68 N 0.67 0.46 -0.20 0.81 4.81 -1.01 -1.65 114.58 118.46 2k9a h GLU 68 Ca 0.30 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2k9a h GLU 68 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k9a h GLU 68 CO -0.19 0.37 -0.43 -0.92 -0.73 0.00 0.00 179.01 177.11 2k9a h TYR 69 N 0.47 0.59 0.00 0.92 3.20 -0.63 0.38 116.97 121.89 2k9a h TYR 69 Ca 0.12 -0.18 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 69 Cb 0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2k9a h TYR 69 CO 0.00 0.84 -0.64 0.82 -1.64 0.00 0.00 178.16 177.54 2k9a h ILE 70 N 0.40 1.37 0.00 1.81 1.08 -0.59 -0.42 117.51 121.16 2k9a h ILE 70 Ca 0.03 -2.26 -0.17 0.00 -0.39 0.00 0.00 64.86 62.07 2k9a h ILE 70 Cb 0.92 2.25 -0.03 0.00 -3.07 0.00 0.00 36.82 36.89 2k9a h ILE 70 CO 0.08 0.63 -1.41 -1.28 -0.69 0.00 0.00 178.15 175.48 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.19 -2.79 113.55 112.16 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 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2k9a h SER 71 CO 0.08 0.60 -0.36 -0.11 -0.53 0.00 0.00 176.83 176.51 2k9a n LEU 72 N -2.90 1.21 0.10 2.23 -0.00 0.11 -4.16 117.00 113.59 2k9a n LEU 72 Ca -0.10 0.49 -0.05 0.00 -0.00 0.00 0.00 56.01 56.35 2k9a n LEU 72 Cb 0.85 -0.74 -0.02 0.00 -0.00 0.00 0.00 43.42 43.50 2k9a n LEU 72 CO 0.43 -0.48 0.16 0.58 -0.00 0.00 0.00 177.39 178.08 2k9a h VAL 73 N -0.66 0.00 -0.96 1.96 2.07 -1.28 -2.24 116.25 115.14 2k9a h VAL 73 Ca 0.00 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.09 2k9a h VAL 73 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.05 2k9a h VAL 73 CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 2k9a h GLU 74 N -0.91 0.79 -0.23 1.57 4.81 -1.55 0.63 114.58 119.68 2k9a h GLU 74 Ca -0.03 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k9a h GLU 74 CO 0.06 0.52 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.21 2k9a h LYS 75 N 0.81 0.57 -0.33 1.92 3.64 -1.61 -2.56 116.57 119.02 2k9a h LYS 75 Ca 0.50 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2k9a h LYS 75 Cb 0.70 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2k9a h LYS 75 CO -0.26 0.89 0.15 -0.92 -2.27 0.00 0.00 179.45 177.04 2k9a h TYR 76 N 0.46 0.28 -0.74 1.91 3.20 -0.25 -1.33 116.97 120.50 2k9a h TYR 76 Ca 0.04 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2k9a h TYR 76 Cb 0.93 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2k9a h TYR 76 CO 0.04 0.15 0.27 0.82 -1.64 0.00 0.00 178.16 177.80 2k9a h ILE 77 N 0.32 1.26 -0.03 1.81 2.04 -1.34 -2.13 117.51 119.43 2k9a h ILE 77 Ca 0.14 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2k9a h ILE 77 Cb 0.06 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2k9a h ILE 77 CO -0.11 0.34 -0.07 -0.08 0.00 0.00 0.00 178.15 178.23 2k9a h GLU 78 N 1.08 -0.10 -0.20 2.37 4.81 -1.00 -1.30 114.58 120.24 2k9a h GLU 78 Ca 0.25 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k9a h GLU 78 Cb 0.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2k9a h GLU 78 CO -0.02 -0.07 0.11 0.93 -0.73 0.00 0.00 179.01 179.24 2k9a h GLU 79 N -0.11 0.28 -0.51 1.92 5.08 -1.15 -1.14 114.58 118.97 2k9a h GLU 79 Ca 0.04 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 79 Cb 0.16 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2k9a h GLU 79 CO -0.10 0.27 0.34 1.96 -1.00 0.00 0.00 179.01 180.48 2k9a h GLN 80 N 0.23 0.52 0.12 2.33 1.08 -1.20 -1.50 115.11 116.68 2k9a h GLN 80 Ca 0.07 -0.03 -0.29 0.00 -1.45 0.00 0.00 58.65 56.95 2k9a h GLN 80 Cb 0.06 -0.12 0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2k9a h GLN 80 CO -0.01 0.34 -1.23 -0.07 -0.95 0.00 0.00 178.83 176.91 2k9a h LEU 81 N 0.53 0.74 -1.53 1.46 3.38 -0.93 -3.24 115.31 115.71 2k9a h LEU 81 Ca 0.21 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2k9a h LEU 81 Cb 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k9a h LEU 81 CO -0.05 1.52 -0.13 -0.07 0.09 0.00 0.00 178.44 179.79 2k9a h LEU 82 N 0.22 0.00 -2.02 1.67 -0.00 -0.66 -2.40 115.31 112.11 2k9a h LEU 82 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2k9a h LEU 82 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 2k9a h LEU 82 CO 0.23 0.13 0.32 1.56 -0.00 0.00 0.00 178.44 180.68 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.32 -1.89 115.11 114.11 2k9a h GLN 83 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2k9a h GLN 83 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2k9a h GLN 83 CO 0.02 0.00 -1.09 -2.13 -0.95 0.00 0.00 178.83 174.68 2k9a n ARG 84 N -2.89 2.82 -3.97 1.46 3.00 -1.03 -4.93 116.66 111.12 2k9a n ARG 84 Ca -0.02 -0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.52 2k9a n ARG 84 Cb 0.37 -1.04 -0.15 0.00 0.00 0.00 0.00 32.46 31.65 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k9a s ILE 85 N -2.05 2.26 -1.15 5.15 1.01 -0.71 -4.95 121.20 120.76 2k9a s ILE 85 Ca -0.01 -2.63 0.23 0.00 0.00 0.00 0.00 60.65 58.25 2k9a s ILE 85 Cb 0.01 -2.64 0.27 0.00 0.01 0.00 0.00 42.46 40.11 2k9a s ILE 85 CO 0.06 -0.68 1.74 -0.81 0.00 0.00 0.00 174.94 175.25 2k9a n PRO 86 N 3.88 0.12 -0.29 2.79 -0.04 -1.23 -2.66 135.00 137.57 2k9a n PRO 86 Ca 0.04 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2k9a n PRO 86 Cb 0.38 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.42 2.65 -1.97 0.54 1.02 -1.26 -5.04 120.64 115.16 2k9a n GLU 87 Ca 0.07 -2.51 -0.37 0.00 -0.02 0.00 0.00 57.16 54.33 2k9a n GLU 87 Cb 0.24 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.27 2.45 -0.40 -0.32 5.36 -1.09 -5.01 117.98 116.70 2k9a s PHE 88 Ca 0.33 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.78 2k9a s PHE 88 Cb 0.25 -3.59 0.12 0.00 -0.34 0.00 0.00 43.02 39.47 2k9a s PHE 88 CO 0.09 -2.34 0.19 -0.80 -1.46 0.00 0.00 175.22 170.90 2k9a s ASN 89 N -1.29 3.85 0.51 6.13 0.02 -1.26 -4.96 114.94 117.94 2k9a s ASN 89 Ca 0.72 -2.36 0.34 0.00 -1.02 0.00 0.00 52.86 50.54 2k9a s ASN 89 Cb -0.34 -1.06 1.70 0.00 0.02 0.00 0.00 41.25 41.57 2k9a s ASN 89 CO 0.39 -0.31 2.04 -0.03 0.02 0.00 0.00 177.10 179.21 2k9a h MET 90 N 7.12 0.00 0.16 -0.60 4.05 -1.98 -0.36 114.93 123.32 2k9a h MET 90 Ca -0.05 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2k9a h MET 90 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2k9a h MET 90 CO 0.49 0.00 -0.07 0.00 0.23 0.00 0.00 176.91 177.55 2k9a h ALA 91 N 2.04 -0.21 0.00 0.39 0.00 -2.00 -2.68 119.26 116.80 2k9a h ALA 91 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 91 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k9a h ALA 91 CO 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 179.25 178.74 2k9a h ALA 92 N -0.80 1.10 0.17 0.00 0.00 -1.97 -2.80 119.26 114.97 2k9a h ALA 92 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k9a h ALA 92 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k9a h ALA 92 CO 0.04 0.37 -0.08 0.35 0.00 0.00 0.00 179.25 179.92 2k9a h PHE 93 N 0.00 -0.21 -0.30 0.00 3.57 -1.17 -2.54 116.94 116.28 2k9a h PHE 93 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2k9a h PHE 93 Cb 0.73 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 93 CO 0.00 0.21 0.14 1.79 -2.23 0.00 0.00 178.31 178.22 2k9a h THR 94 N -0.78 0.97 -0.22 4.41 1.35 -1.49 0.11 112.91 117.26 2k9a h THR 94 Ca -0.02 -0.10 0.05 0.00 -0.55 0.00 0.00 66.41 65.78 2k9a h THR 94 Cb 0.52 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2k9a h THR 94 CO 0.04 0.05 -0.07 0.71 -0.25 0.00 0.00 175.52 176.00 2k9a h THR 95 N 0.29 0.75 -0.12 6.82 1.35 -1.59 -0.34 112.91 120.08 2k9a h THR 95 Ca 0.13 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2k9a h THR 95 Cb 0.06 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2k9a h THR 95 CO -0.10 0.00 -0.21 0.74 -0.25 0.00 0.00 175.52 175.70 2k9a h THR 96 N -0.02 1.21 -0.40 6.82 2.02 -1.20 -2.69 112.91 118.66 2k9a h THR 96 Ca 0.11 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 2k9a h THR 96 Cb 0.19 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2k9a h THR 96 CO -0.24 0.29 -0.15 0.25 0.37 0.00 0.00 175.52 176.04 2k9a h LEU 97 N 0.19 0.73 -0.63 2.58 6.46 0.32 -2.08 115.31 122.89 2k9a h LEU 97 Ca 0.03 -0.23 0.12 0.00 -0.12 0.00 0.00 57.88 57.68 2k9a h LEU 97 Cb 0.49 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 2k9a h LEU 97 CO 0.03 0.90 0.15 1.56 -0.62 0.00 0.00 178.44 180.46 2k9a h GLN 98 N 0.66 0.28 0.06 1.25 4.20 -0.75 0.42 115.11 121.23 2k9a h GLN 98 Ca 0.11 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.54 2k9a h GLN 98 Cb 0.63 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.37 2k9a h GLN 98 CO 0.04 0.18 -1.04 0.45 -0.67 0.00 0.00 178.83 177.80 2k9a h HIS 99 N 0.28 0.92 0.00 2.96 3.86 -1.63 -3.10 115.15 118.45 2k9a h HIS 99 Ca 0.34 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2k9a h HIS 99 Cb 0.51 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k9a h HIS 99 CO -0.24 1.39 0.00 0.72 0.86 0.00 0.00 177.93 180.66 2k9a n HIS 100 N -3.92 0.00 0.31 2.45 8.25 -0.76 -2.69 115.22 118.86 2k9a n HIS 100 Ca -0.12 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.53 2k9a n HIS 100 Cb 0.89 0.00 1.01 0.00 1.12 0.00 0.00 29.99 33.00 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 -0.12 0.18 116.57 119.86 2k9a h LYS 101 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2k9a h LYS 101 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2k9a h LYS 101 CO 0.00 0.02 -0.37 0.22 -2.27 0.00 0.00 179.45 177.05 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.76 -3.37 116.42 119.07 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k9a h ASP 102 CO 0.00 0.37 -0.60 -0.62 -2.88 0.00 0.00 179.24 175.50 2k9a n GLU 103 N -3.37 0.39 -0.68 0.28 4.71 -0.13 -4.96 120.64 116.87 2k9a n GLU 103 Ca 0.01 0.31 -0.31 0.00 -0.01 0.00 0.00 57.16 57.15 2k9a n GLU 103 Cb 0.56 -1.35 0.17 0.00 -1.01 0.00 0.00 31.44 29.81 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2k9a n VAL 104 N -4.06 0.00 -1.49 2.62 3.14 -0.15 -4.76 118.33 113.62 2k9a n VAL 104 Ca -0.08 -0.11 -0.46 0.00 -2.96 0.00 0.00 64.34 60.73 2k9a n VAL 104 Cb 0.31 -0.88 -0.07 0.00 -1.06 0.00 0.00 33.84 32.14 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a n ALA 105 N -4.17 1.06 0.15 1.55 0.00 -1.26 -4.80 120.51 113.03 2k9a n ALA 105 Ca 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k9a n ALA 105 Cb 0.53 -2.70 0.31 0.00 0.00 0.00 0.00 19.45 17.58 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 14.13 0.10 1.42 0.00 0.00 -1.86 -2.46 103.07 114.41 2k9a h GLY 106 Ca -0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 2k9a h GLY 106 CO 1.07 0.08 -0.24 1.29 0.00 0.00 0.00 176.54 178.75 2k9a h ASP 107 N 0.08 0.68 -0.00 0.19 2.03 -1.94 -0.21 116.42 117.25 2k9a h ASP 107 Ca 0.01 -0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 2k9a h ASP 107 Cb 0.71 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2k9a h ASP 107 CO 0.05 0.90 -0.04 0.40 -1.03 0.00 0.00 179.24 179.52 2k9a h ILE 108 N 0.58 1.56 0.00 4.15 2.04 -1.91 -3.25 117.51 120.69 2k9a h ILE 108 Ca 0.08 -1.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.18 2k9a h ILE 108 Cb 0.72 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 2k9a h ILE 108 CO 0.06 0.45 -0.25 0.15 0.00 0.00 0.00 178.15 178.56 2k9a h PHE 109 N -0.66 0.00 -1.15 1.37 3.57 -1.47 -2.70 116.94 115.90 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 109 Cb 0.76 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2k9a h PHE 109 CO 0.17 0.25 0.83 0.22 -2.23 0.00 0.00 178.31 177.55 2k9a h ASP 110 N 0.00 0.00 0.00 0.41 3.58 -1.06 0.54 116.42 119.90 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 110 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k9a h ASP 110 CO 0.03 0.00 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.36 2k9a h MET 111 N 0.00 -0.00 0.00 0.28 4.05 -1.63 -3.15 114.93 114.48 2k9a h MET 111 Ca 0.54 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 2k9a h MET 111 Cb 2.20 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 33.00 2k9a h MET 111 CO -0.01 0.62 -0.09 -0.07 0.23 0.00 0.00 176.91 177.59 2k9a h LEU 112 N -0.63 0.00 -1.88 3.39 3.38 -0.66 -2.81 115.31 116.10 2k9a h LEU 112 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2k9a h LEU 112 CO 0.00 0.09 0.64 0.25 0.09 0.00 0.00 178.44 179.51 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.06 0.12 115.31 122.90 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 -3.85 0.00 0.18 1.05 -2.24 -1.06 -2.30 114.28 106.05 2k9a n THR 114 Ca 0.14 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 2k9a n THR 114 Cb 0.90 -0.87 0.43 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.10 0.00 4.78 0.04 -1.02 -3.38 116.94 117.46 2k9a h PHE 115 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k9a h PHE 115 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2k9a h PHE 115 CO 0.00 0.29 -0.12 0.25 -0.60 0.00 0.00 178.31 178.13 2k9a n THR 116 N -4.26 0.00 -1.99 -1.55 -2.24 -1.04 -4.99 114.28 98.20 2k9a n THR 116 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2k9a n THR 116 Cb 0.28 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.00 4.96 0.38 3.42 -1.08 -0.97 -4.77 116.67 117.61 2k9a s ASP 117 Ca 0.00 -0.71 0.05 0.00 -0.52 0.00 0.00 52.55 51.37 2k9a s ASP 117 Cb 0.00 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.65 2k9a s ASP 117 CO 0.00 -2.94 2.02 0.15 0.52 0.00 0.00 175.17 174.92 2k9a h PHE 118 N 11.27 0.62 -0.36 -5.34 3.57 -1.90 -1.70 116.94 123.11 2k9a h PHE 118 Ca 0.10 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2k9a h PHE 118 Cb 1.00 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 118 CO 1.21 0.41 0.14 -0.07 -2.23 0.00 0.00 178.31 177.77 2k9a h LEU 119 N 0.66 0.46 -0.23 0.59 3.38 -1.99 -2.20 115.31 115.99 2k9a h LEU 119 Ca 0.18 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2k9a h LEU 119 Cb -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2k9a h LEU 119 CO -0.03 0.43 -0.92 0.00 0.09 0.00 0.00 178.44 178.01 2k9a h ALA 120 N 1.64 0.47 0.47 1.53 0.00 -1.72 -2.58 119.26 119.06 2k9a h ALA 120 Ca 0.13 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2k9a h ALA 120 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k9a h ALA 120 CO -0.01 0.93 -0.22 0.35 0.00 0.00 0.00 179.25 180.29 2k9a h PHE 121 N 0.11 -0.58 -0.40 0.00 3.57 -0.93 0.12 116.94 118.83 2k9a h PHE 121 Ca -0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2k9a h PHE 121 Cb 1.56 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 2k9a h PHE 121 CO 0.03 -0.35 0.05 -0.22 -2.23 0.00 0.00 178.31 175.60 2k9a h LYS 122 N -0.66 0.67 -0.36 1.11 3.64 -1.58 -2.65 116.57 116.75 2k9a h LYS 122 Ca -0.06 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2k9a h LYS 122 Cb 0.50 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2k9a h LYS 122 CO 0.11 0.73 0.21 1.49 -2.27 0.00 0.00 179.45 179.72 2k9a h GLU 123 N 0.51 0.47 -0.22 1.90 4.57 -1.40 -2.36 114.58 118.05 2k9a h GLU 123 Ca 0.12 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2k9a h GLU 123 Cb 0.40 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2k9a h GLU 123 CO 0.01 0.34 0.09 1.98 -1.18 0.00 0.00 179.01 180.24 2k9a h MET 124 N 0.49 0.34 -0.02 1.92 4.05 -0.40 -2.30 114.93 119.00 2k9a h MET 124 Ca 0.13 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2k9a h MET 124 Cb -0.02 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2k9a h MET 124 CO -0.02 0.39 -0.05 0.74 0.23 0.00 0.00 176.91 178.20 2k9a h PHE 125 N 0.21 -0.13 -0.66 1.39 0.04 -1.18 -0.76 116.94 115.85 2k9a h PHE 125 Ca 0.07 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.91 2k9a h PHE 125 Cb 0.18 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 2k9a h PHE 125 CO -0.01 -0.08 0.43 -0.07 -0.60 0.00 0.00 178.31 177.98 2k9a h LEU 126 N -0.08 0.58 -0.20 1.54 4.07 -1.44 -1.73 115.31 118.05 2k9a h LEU 126 Ca 0.03 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 2k9a h LEU 126 Cb 0.12 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2k9a h LEU 126 CO -0.07 0.38 -0.20 -0.78 -1.08 0.00 0.00 178.44 176.69 2k9a h ASP 127 N 0.66 0.52 -0.88 -0.43 3.58 -0.88 -2.17 116.42 116.82 2k9a h ASP 127 Ca 0.28 -0.48 0.04 0.00 0.42 0.00 0.00 57.03 57.29 2k9a h ASP 127 Cb 0.27 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 2k9a h ASP 127 CO -0.09 0.89 0.58 0.22 -2.88 0.00 0.00 179.24 177.96 2k9a h TYR 128 N 0.15 1.06 -0.25 0.28 3.20 -0.49 -1.83 116.97 119.10 2k9a h TYR 128 Ca 0.03 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2k9a h TYR 128 Cb 0.74 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2k9a h TYR 128 CO 0.08 0.61 -0.47 -0.09 -1.64 0.00 0.00 178.16 176.65 2k9a h ARG 129 N 1.09 0.65 -0.22 1.82 2.43 -1.29 -2.96 114.38 115.91 2k9a h ARG 129 Ca 0.35 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k9a h ARG 129 Cb 0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2k9a h ARG 129 CO -0.11 0.98 0.05 0.00 -1.51 0.00 0.00 179.97 179.38 2k9a h ALA 130 N 0.96 1.67 0.00 2.80 0.00 -0.67 -1.49 119.26 122.52 2k9a h ALA 130 Ca 0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 130 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2k9a h ALA 130 CO 0.10 0.26 -0.57 0.93 0.00 0.00 0.00 179.25 179.96 2k9a h GLU 131 N 0.32 0.00 0.00 0.00 5.08 -1.27 -2.93 114.58 115.78 2k9a h GLU 131 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2k9a h GLU 131 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k9a h GLU 131 CO -0.00 0.57 -0.22 0.87 -1.00 0.00 0.00 179.01 179.22 2k9a h LYS 132 N 0.00 0.00 -0.01 2.33 1.79 -1.15 -2.18 116.57 117.34 2k9a h LYS 132 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k9a h LYS 132 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2k9a h LYS 132 CO 0.07 0.22 -0.07 0.39 -1.08 0.00 0.00 179.45 178.99 2k9a n GLU 133 N -3.50 1.37 0.24 3.15 1.02 -1.11 -4.25 120.64 117.57 2k9a n GLU 133 Ca -0.01 -0.75 -0.15 0.00 -0.02 0.00 0.00 57.16 56.23 2k9a n GLU 133 Cb 0.38 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k9a h GLY 134 N 4.89 -0.62 -1.32 0.62 0.00 -1.39 -3.44 103.07 101.81 2k9a h GLY 134 Ca 0.00 0.23 -0.51 0.00 0.00 0.00 0.00 47.33 47.05 2k9a h GLY 134 CO 0.00 -0.22 0.39 0.50 0.00 0.00 0.00 176.54 177.21 2k9a s ARG 135 N -5.53 3.15 0.00 4.80 0.52 -1.26 -5.15 118.95 115.48 2k9a s ARG 135 Ca -0.16 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 2k9a s ARG 135 Cb 0.03 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.48 2k9a s ARG 135 CO 0.59 -0.91 0.00 0.41 0.02 0.00 0.00 175.30 175.41