#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 -7.92 -1.04 7.83 2.03 -1.26 -4.61 116.55 111.59 2k9a n ASP 2 Ca 0.00 0.97 0.08 0.00 0.52 0.00 0.00 54.79 56.36 2k9a n ASP 2 Cb 0.00 -4.30 0.26 0.00 -0.72 0.00 0.00 41.12 36.36 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a n ALA 3 N -3.31 2.74 -1.44 -1.67 0.00 -1.26 -4.94 120.51 110.63 2k9a n ALA 3 Ca -0.04 -1.66 -0.16 0.00 0.00 0.00 0.00 53.44 51.58 2k9a n ALA 3 Cb 0.62 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 0.39 -1.02 -4.77 0.00 4.32 -1.26 -4.93 117.00 109.73 2k9a n LEU 4 Ca 0.19 0.39 -0.38 0.00 -0.02 0.00 0.00 56.01 56.19 2k9a n LEU 4 Cb 0.73 -2.53 -0.06 0.00 -1.62 0.00 0.00 43.42 39.94 2k9a n LEU 4 CO 0.16 -0.95 0.62 -1.61 -1.22 0.00 0.00 177.39 174.39 2k9a s GLU 5 N -3.29 4.64 0.00 3.23 0.41 -1.26 -4.72 118.70 117.70 2k9a s GLU 5 Ca 0.00 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 2k9a s GLU 5 Cb 0.00 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 2k9a s GLU 5 CO 0.00 0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.56 2k9a n GLY 6 N 0.92 0.00 0.09 -1.39 0.00 -1.26 -5.02 105.19 98.53 2k9a n GLY 6 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2k9a n GLY 6 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k9a h GLU 7 N 0.00 0.00 -6.52 1.61 3.07 -2.02 -3.46 114.58 107.26 2k9a h GLU 7 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 2k9a h GLU 7 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2k9a h GLU 7 CO 0.00 0.64 0.22 -1.54 -1.40 0.00 0.00 179.01 176.94 2k9a s SER 8 N -6.39 7.41 0.13 1.42 1.04 -1.26 -5.07 113.70 110.98 2k9a s SER 8 Ca -0.22 1.67 0.10 0.00 0.48 0.00 0.00 55.95 57.98 2k9a s SER 8 Cb 0.04 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 2k9a s SER 8 CO 0.45 0.13 -0.23 -0.36 0.98 0.00 0.00 173.24 174.22 2k9a s PHE 9 N -0.81 2.41 0.41 5.02 0.08 -1.26 -5.08 117.98 118.75 2k9a s PHE 9 Ca 0.38 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.14 2k9a s PHE 9 Cb -0.23 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 2k9a s PHE 9 CO 0.27 0.38 0.06 0.00 -0.10 0.00 0.00 175.22 175.82 2k9a s ALA 10 N -1.17 3.13 0.00 5.36 0.00 -1.26 -5.05 121.76 122.77 2k9a s ALA 10 Ca 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2k9a s ALA 10 Cb -0.10 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2k9a s ALA 10 CO 0.08 -0.21 0.00 -0.11 0.00 0.00 0.00 175.76 175.52 2k9a n LEU 11 N -0.95 0.00 -4.57 0.00 7.94 -1.26 -5.07 117.00 113.09 2k9a n LEU 11 Ca -0.08 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.39 2k9a n LEU 11 Cb 0.66 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.57 2k9a n LEU 11 CO 0.40 0.00 0.72 -0.44 -1.11 0.00 0.00 177.39 176.97 2k9a s SER 12 N 0.00 6.51 -0.15 1.96 0.01 -1.26 -5.01 113.70 115.76 2k9a s SER 12 Ca 0.00 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 2k9a s SER 12 Cb 0.00 -2.44 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2k9a s SER 12 CO 0.00 -1.00 -0.05 -0.36 0.41 0.00 0.00 173.24 172.25 2k9a s PHE 13 N 3.64 1.53 0.00 2.43 0.08 -1.26 -5.03 117.98 119.36 2k9a s PHE 13 Ca 0.36 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.48 2k9a s PHE 13 Cb -0.11 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 2k9a s PHE 13 CO 0.25 -0.57 0.00 -1.13 -0.10 0.00 0.00 175.22 173.66 2k9a n SER 14 N 4.92 0.00 0.00 1.36 3.41 -1.26 -4.76 113.62 117.29 2k9a n SER 14 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2k9a n SER 14 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k9a n SER 15 N 4.00 0.00 -0.34 4.04 7.64 -1.26 -3.36 113.62 124.34 2k9a n SER 15 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2k9a n SER 15 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.92 1.32 -0.64 -0.43 0.00 -1.95 -0.39 119.26 116.24 2k9a h ALA 16 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 16 Cb 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.41 2k9a h ALA 16 CO 0.00 0.34 0.26 -1.13 0.00 0.00 0.00 179.25 178.72 2k9a n SER 17 N -4.57 4.34 -4.29 0.00 3.41 -1.21 -4.63 113.62 106.67 2k9a n SER 17 Ca 0.15 -3.04 -0.19 0.00 -0.26 0.00 0.00 58.87 55.53 2k9a n SER 17 Cb 0.21 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.34 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k9a s ASP 18 N -0.77 1.62 0.62 4.04 2.15 -0.22 -5.02 116.67 119.09 2k9a s ASP 18 Ca 0.46 -1.43 0.30 0.00 0.43 0.00 0.00 52.55 52.32 2k9a s ASP 18 Cb 0.37 0.16 1.65 0.00 -0.30 0.00 0.00 42.92 44.80 2k9a s ASP 18 CO 0.11 -0.74 2.00 0.00 -0.17 0.00 0.00 175.17 176.37 2k9a h ALA 19 N 2.26 1.69 -0.40 3.66 0.00 -1.92 -1.87 119.26 122.69 2k9a h ALA 19 Ca -0.38 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 19 Cb 1.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2k9a h ALA 19 CO 0.61 -0.41 0.12 1.49 0.00 0.00 0.00 179.25 181.06 2k9a h GLU 20 N 0.00 0.26 -0.25 0.00 4.57 -1.95 -1.69 114.58 115.52 2k9a h GLU 20 Ca 0.09 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2k9a h GLU 20 Cb 0.72 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 2k9a h GLU 20 CO -0.00 0.17 -0.03 0.35 -1.18 0.00 0.00 179.01 178.32 2k9a h PHE 21 N 0.27 -0.08 -0.74 0.92 3.57 -0.64 -1.42 116.94 118.83 2k9a h PHE 21 Ca 0.19 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2k9a h PHE 21 Cb 0.19 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2k9a h PHE 21 CO -0.17 -0.08 0.48 -0.44 -2.23 0.00 0.00 178.31 175.88 2k9a h ASP 22 N 0.04 0.68 -0.42 0.41 3.32 -1.56 -1.85 116.42 117.03 2k9a h ASP 22 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2k9a h ASP 22 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2k9a h ASP 22 CO -0.24 0.44 0.22 0.00 -1.72 0.00 0.00 179.24 177.94 2k9a h ALA 23 N 1.60 0.54 -0.51 3.45 0.00 -0.36 -2.53 119.26 121.45 2k9a h ALA 23 Ca 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2k9a h ALA 23 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k9a h ALA 23 CO -0.11 0.08 0.32 0.28 0.00 0.00 0.00 179.25 179.83 2k9a h VAL 24 N 0.54 1.09 -0.94 0.00 2.07 -0.70 -2.16 116.25 116.15 2k9a h VAL 24 Ca 0.15 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2k9a h VAL 24 Cb 0.09 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2k9a h VAL 24 CO -0.02 0.12 0.61 0.58 0.02 0.00 0.00 177.57 178.87 2k9a h VAL 25 N 0.64 1.07 -0.26 2.57 2.07 -1.25 -2.23 116.25 118.85 2k9a h VAL 25 Ca 0.20 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2k9a h VAL 25 Cb -0.02 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 2k9a h VAL 25 CO -0.07 0.20 0.13 1.23 0.02 0.00 0.00 177.57 179.08 2k9a h GLY 26 N 1.07 0.40 1.61 2.17 0.00 -0.97 -2.45 103.07 104.90 2k9a h GLY 26 Ca 0.41 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.56 2k9a h GLY 26 CO -0.16 0.19 0.22 -0.97 0.00 0.00 0.00 176.54 175.82 2k9a h TYR 27 N 0.30 0.34 -0.17 5.60 0.05 -1.02 -2.33 116.97 119.75 2k9a h TYR 27 Ca 0.09 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 2k9a h TYR 27 Cb 0.10 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2k9a h TYR 27 CO -0.02 0.21 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.19 2k9a h LEU 28 N 0.36 0.32 -0.52 3.88 3.38 -1.03 -3.04 115.31 118.67 2k9a h LEU 28 Ca 0.13 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.82 2k9a h LEU 28 Cb 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 28 CO -0.03 0.60 0.17 -0.33 0.09 0.00 0.00 178.44 178.94 2k9a h GLU 29 N 0.04 0.33 -0.66 1.13 5.08 -0.98 -0.16 114.58 119.35 2k9a h GLU 29 Ca 0.04 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2k9a h GLU 29 Cb 0.46 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2k9a h GLU 29 CO 0.01 0.22 0.44 -0.44 -1.00 0.00 0.00 179.01 178.24 2k9a h ASP 30 N 0.34 0.41 -0.09 1.42 3.32 -1.46 -1.39 116.42 118.97 2k9a h ASP 30 Ca 0.25 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 2k9a h ASP 30 Cb 0.29 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.78 2k9a h ASP 30 CO -0.27 0.24 -0.82 0.40 -1.72 0.00 0.00 179.24 177.07 2k9a h ILE 31 N 0.45 1.30 -0.98 0.35 2.04 -0.97 -0.97 117.51 118.73 2k9a h ILE 31 Ca 0.31 -2.04 0.13 0.00 1.00 0.00 0.00 64.86 64.26 2k9a h ILE 31 Cb 0.61 2.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 2k9a h ILE 31 CO -0.09 0.64 0.62 0.40 0.00 0.00 0.00 178.15 179.71 2k9a h ILE 32 N 0.41 0.88 -0.01 -0.67 2.04 -0.07 0.02 117.51 120.11 2k9a h ILE 32 Ca -0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2k9a h ILE 32 Cb 1.46 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2k9a h ILE 32 CO 0.17 0.17 -0.44 1.15 0.00 0.00 0.00 178.15 179.19 2k9a n MET 33 N -4.62 0.91 -1.75 2.37 0.00 -1.00 -4.80 117.12 108.23 2k9a n MET 33 Ca 0.19 -0.68 -0.42 0.00 0.00 0.00 0.00 57.70 56.79 2k9a n MET 33 Cb 0.40 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.10 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2k9a s ASP 34 N -2.56 6.48 0.19 3.17 2.15 -0.01 -4.89 116.67 121.21 2k9a s ASP 34 Ca 0.19 2.63 -0.14 0.00 0.43 0.00 0.00 52.55 55.67 2k9a s ASP 34 Cb 0.18 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.45 2k9a s ASP 34 CO 0.59 -1.01 1.68 -0.78 -0.17 0.00 0.00 175.17 175.48 2k9a h ASP 35 N 9.68 -0.20 -0.64 -0.34 3.58 -1.89 0.12 116.42 126.73 2k9a h ASP 35 Ca -0.47 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.18 2k9a h ASP 35 Cb 1.22 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 42.44 2k9a h ASP 35 CO 0.94 -0.07 0.42 -0.08 -2.88 0.00 0.00 179.24 177.58 2k9a h GLU 36 N 0.12 0.55 -0.12 0.28 4.57 -1.93 -0.46 114.58 117.59 2k9a h GLU 36 Ca 0.25 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.25 2k9a h GLU 36 Cb 0.38 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k9a h GLU 36 CO -0.42 0.37 -0.55 0.35 -1.18 0.00 0.00 179.01 177.58 2k9a h PHE 37 N 0.57 0.46 -0.47 0.92 3.57 -1.27 -2.45 116.94 118.27 2k9a h PHE 37 Ca 0.28 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2k9a h PHE 37 Cb 0.37 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2k9a h PHE 37 CO -0.00 0.83 0.10 1.96 -2.23 0.00 0.00 178.31 178.98 2k9a h GLN 38 N 0.28 0.77 -0.36 1.11 4.20 -0.03 -1.81 115.11 119.27 2k9a h GLN 38 Ca 0.00 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2k9a h GLN 38 Cb 1.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2k9a h GLN 38 CO 0.09 0.76 0.01 1.25 -0.67 0.00 0.00 178.83 180.27 2k9a h LEU 39 N 0.64 0.62 0.15 1.46 7.12 -1.35 -1.45 115.31 122.50 2k9a h LEU 39 Ca 0.15 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2k9a h LEU 39 Cb 0.34 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 2k9a h LEU 39 CO 0.00 0.77 -0.15 0.25 -0.13 0.00 0.00 178.44 179.18 2k9a h LEU 40 N 0.45 -0.38 0.37 2.25 7.12 -1.34 0.12 115.31 123.89 2k9a h LEU 40 Ca 0.10 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 2k9a h LEU 40 Cb 0.44 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 2k9a h LEU 40 CO 0.02 -0.22 -0.18 -0.61 -0.13 0.00 0.00 178.44 177.32 2k9a h GLN 41 N -0.32 -0.48 -0.22 1.25 4.15 -1.33 -2.84 115.11 115.33 2k9a h GLN 41 Ca 0.00 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2k9a h GLN 41 Cb 0.30 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 2k9a h GLN 41 CO -0.03 -0.25 0.07 0.00 -1.93 0.00 0.00 178.83 176.68 2k9a h ARG 42 N -0.60 0.30 -0.02 1.69 3.08 -1.24 0.94 114.38 118.53 2k9a h ARG 42 Ca -0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k9a h ARG 42 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2k9a h ARG 42 CO 0.08 0.27 0.01 -0.97 -1.07 0.00 0.00 179.97 178.30 2k9a h ASN 43 N 0.30 0.03 0.55 7.04 -0.73 -0.59 -1.98 115.58 120.21 2k9a h ASN 43 Ca 0.08 -0.11 -0.27 0.00 1.87 0.00 0.00 56.30 57.86 2k9a h ASN 43 Cb 0.10 -0.01 0.01 0.00 0.27 0.00 0.00 38.32 38.69 2k9a h ASN 43 CO -0.01 0.13 -1.22 -0.26 -0.37 0.00 0.00 177.43 175.70 2k9a h PHE 44 N -0.07 0.56 0.00 0.67 -1.00 -1.29 -3.25 116.94 112.57 2k9a h PHE 44 Ca 0.01 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.39 2k9a h PHE 44 Cb 0.11 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 2k9a h PHE 44 CO -0.04 1.29 -0.04 0.52 -1.61 0.00 0.00 178.31 178.43 2k9a h MET 45 N 0.10 0.00 -0.17 1.51 2.86 -0.80 -1.22 114.93 117.21 2k9a h MET 45 Ca -0.14 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2k9a h MET 45 Cb 1.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 2k9a h MET 45 CO 0.21 0.04 0.12 0.22 1.06 0.00 0.00 176.91 178.55 2k9a h ASP 46 N 0.00 0.17 0.04 1.22 1.82 -1.38 -1.84 116.42 116.44 2k9a h ASP 46 Ca -0.00 -0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.26 2k9a h ASP 46 Cb 0.09 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.00 2k9a h ASP 46 CO 0.01 0.12 -2.36 0.29 -1.61 0.00 0.00 179.24 175.69 2k9a n LYS 47 N -4.51 0.67 0.12 0.28 4.76 -0.66 -4.33 118.16 114.49 2k9a n LYS 47 Ca -0.00 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 2k9a n LYS 47 Cb 0.11 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 31.67 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 0.01 -0.46 0.00 2.13 -1.99 -1.14 -1.54 116.97 113.98 2k9a h TYR 48 Ca -0.54 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.20 2k9a h TYR 48 Cb 1.96 0.18 0.00 0.00 2.00 0.00 0.00 36.73 40.88 2k9a h TYR 48 CO 0.04 -0.26 0.03 0.10 -0.00 0.00 0.00 178.16 178.06 2k9a h TYR 49 N -0.36 0.00 0.00 4.88 -0.00 -1.57 -2.33 116.97 117.59 2k9a h TYR 49 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.71 2k9a h TYR 49 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.08 2k9a h TYR 49 CO -0.16 0.00 -0.16 -0.07 -0.00 0.00 0.00 178.16 177.77 2k9a h LEU 50 N 0.00 0.00 -1.08 0.10 3.38 -1.48 -3.35 115.31 112.88 2k9a h LEU 50 Ca 0.00 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.13 2k9a h LEU 50 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2k9a h LEU 50 CO 0.00 1.03 0.62 -0.33 0.09 0.00 0.00 178.44 179.85 2k9a h GLU 51 N -1.00 1.17 -5.84 1.13 5.08 -1.02 -3.36 114.58 110.73 2k9a h GLU 51 Ca -0.04 -0.07 -0.39 0.00 -1.00 0.00 0.00 59.36 57.86 2k9a h GLU 51 Cb 0.98 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2k9a h GLU 51 CO -0.03 0.77 0.96 -0.06 -1.00 0.00 0.00 179.01 179.66 2k9a s PHE 52 N -6.01 2.01 -0.05 4.33 0.40 -1.01 -4.95 117.98 112.69 2k9a s PHE 52 Ca -0.12 0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2k9a s PHE 52 Cb 0.19 -4.23 -0.04 0.00 0.51 0.00 0.00 43.02 39.45 2k9a s PHE 52 CO 0.81 -1.82 0.14 -1.83 0.70 0.00 0.00 175.22 173.22 2k9a s GLU 53 N 6.43 3.35 -0.31 0.44 -1.05 -1.26 -4.90 118.70 121.40 2k9a s GLU 53 Ca 0.63 -0.30 -0.28 0.00 -0.15 0.00 0.00 54.97 54.87 2k9a s GLU 53 Cb -0.05 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.54 2k9a s GLU 53 CO -0.03 0.70 2.02 0.34 0.95 0.00 0.00 175.26 179.24 2k9a s ASP 54 N -1.56 5.58 0.30 0.83 -1.08 -1.26 -4.94 116.67 114.54 2k9a s ASP 54 Ca 0.22 1.49 0.03 0.00 -0.52 0.00 0.00 52.55 53.77 2k9a s ASP 54 Cb -0.12 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2k9a s ASP 54 CO 0.12 -1.92 0.18 0.42 0.52 0.00 0.00 175.17 174.49 2k9a s THR 55 N 7.93 0.24 -0.10 1.71 -4.23 -1.26 -5.07 115.64 114.86 2k9a s THR 55 Ca 0.89 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 2k9a s THR 55 Cb -0.26 -2.50 -0.27 0.00 1.34 0.00 0.00 72.50 70.81 2k9a s THR 55 CO 0.33 0.00 0.45 -0.33 -0.54 0.00 0.00 174.62 174.53 2k9a h GLU 56 N 2.22 0.30 -5.06 3.99 4.39 -2.08 -3.45 114.58 114.88 2k9a h GLU 56 Ca -0.32 -0.50 -0.66 0.00 0.34 0.00 0.00 59.36 58.21 2k9a h GLU 56 Cb 1.25 0.19 -0.31 0.00 -0.10 0.00 0.00 28.75 29.77 2k9a h GLU 56 CO 0.49 1.24 -0.80 -2.00 -1.16 0.00 0.00 179.01 176.79 2k9a s GLU 57 N -2.56 3.18 0.28 2.33 2.12 -1.26 -5.10 118.70 117.70 2k9a s GLU 57 Ca -0.21 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.09 2k9a s GLU 57 Cb 0.06 -2.75 -0.10 0.00 0.26 0.00 0.00 34.13 31.60 2k9a s GLU 57 CO 0.79 -0.16 1.41 -0.80 -0.54 0.00 0.00 175.26 175.96 2k9a s ASN 58 N 1.27 6.66 0.83 -1.70 0.02 -1.26 -5.02 114.94 115.74 2k9a s ASN 58 Ca 0.03 2.71 -0.11 0.00 -1.02 0.00 0.00 52.86 54.47 2k9a s ASN 58 Cb -0.14 -2.63 0.13 0.00 0.02 0.00 0.00 41.25 38.62 2k9a s ASN 58 CO -0.07 -0.67 1.18 -0.54 0.02 0.00 0.00 177.10 177.02 2k9a s LYS 59 N -0.92 1.49 0.38 -0.60 1.02 -1.26 -4.98 119.74 114.86 2k9a s LYS 59 Ca 0.56 -0.30 0.24 0.00 0.02 0.00 0.00 55.97 56.49 2k9a s LYS 59 Cb -0.42 -2.00 0.46 0.00 -0.52 0.00 0.00 37.83 35.35 2k9a s LYS 59 CO 0.48 -1.81 1.65 1.25 -0.92 0.00 0.00 175.35 176.00 2k9a h LEU 60 N -1.12 0.00 -1.32 3.17 5.85 -2.04 -3.21 115.31 116.64 2k9a h LEU 60 Ca -0.44 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2k9a h LEU 60 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2k9a h LEU 60 CO 0.51 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.32 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.02 -1.90 117.51 123.73 2k9a h ILE 61 Ca 0.00 -0.09 -0.03 0.00 -1.37 0.00 0.00 64.86 63.37 2k9a h ILE 61 Cb 0.93 0.70 -0.00 0.00 0.47 0.00 0.00 36.82 38.92 2k9a h ILE 61 CO 0.00 0.00 -0.15 1.88 -3.07 0.00 0.00 178.15 176.81 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 -1.99 -1.96 -2.79 116.97 112.52 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2k9a h TYR 62 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2k9a h TYR 62 CO 0.00 0.15 -0.05 1.15 -0.00 0.00 0.00 178.16 179.41 2k9a h THR 63 N 0.00 1.09 -0.66 -2.88 2.02 -1.60 -2.59 112.91 108.29 2k9a h THR 63 Ca -0.00 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 2k9a h THR 63 Cb 0.57 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2k9a h THR 63 CO 0.02 0.30 0.31 1.55 0.37 0.00 0.00 175.52 178.06 2k9a h PRO 64 N -0.81 0.95 -0.41 6.66 0.13 -1.71 -2.31 132.00 134.49 2k9a h PRO 64 Ca -0.01 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2k9a h PRO 64 Cb 0.58 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 2k9a h PRO 64 CO 0.02 0.76 0.25 0.82 -0.23 0.00 0.00 178.00 179.63 2k9a h ILE 65 N 0.91 1.13 -0.75 -3.56 2.04 -1.61 -2.17 117.51 113.51 2k9a h ILE 65 Ca 0.23 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2k9a h ILE 65 Cb 0.13 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2k9a h ILE 65 CO -0.03 0.13 0.48 0.15 0.00 0.00 0.00 178.15 178.88 2k9a h PHE 66 N 0.55 0.90 -0.82 1.37 3.57 -1.29 -1.93 116.94 119.28 2k9a h PHE 66 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2k9a h PHE 66 Cb -0.00 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 2k9a h PHE 66 CO -0.03 0.53 0.55 -0.91 -2.23 0.00 0.00 178.31 176.21 2k9a h ASN 67 N 0.94 0.94 0.19 0.41 2.35 -1.05 -1.66 115.58 117.70 2k9a h ASN 67 Ca 0.29 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 2k9a h ASN 67 Cb -0.02 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2k9a h ASN 67 CO -0.10 0.68 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.95 2k9a h GLU 68 N 1.11 0.22 -0.26 0.81 4.81 -0.74 -2.15 114.58 118.38 2k9a h GLU 68 Ca 0.30 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.30 2k9a h GLU 68 Cb -0.12 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2k9a h GLU 68 CO -0.07 0.54 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.40 2k9a h TYR 69 N 0.19 0.77 0.00 0.92 3.20 -0.72 0.13 116.97 121.46 2k9a h TYR 69 Ca 0.02 -0.23 -0.13 0.00 3.14 0.00 0.00 58.73 61.53 2k9a h TYR 69 Cb 0.69 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2k9a h TYR 69 CO 0.01 0.96 -0.63 0.82 -1.64 0.00 0.00 178.16 177.68 2k9a h ILE 70 N 0.52 1.34 0.00 1.81 1.08 -1.18 -1.03 117.51 120.05 2k9a h ILE 70 Ca 0.04 -2.24 -0.21 0.00 -0.39 0.00 0.00 64.86 62.06 2k9a h ILE 70 Cb 0.95 2.24 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 2k9a h ILE 70 CO 0.09 0.62 -1.47 0.28 -0.69 0.00 0.00 178.15 176.98 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.26 -2.98 113.55 111.05 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k9a h SER 71 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2k9a h SER 71 CO 0.08 0.74 -0.36 -0.11 -1.14 0.00 0.00 176.83 176.04 2k9a n LEU 72 N -2.97 1.25 0.13 5.07 -0.00 0.43 -4.15 117.00 116.75 2k9a n LEU 72 Ca -0.11 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.34 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 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.10 2k9a h VAL 73 N -0.69 0.00 -0.79 1.96 2.07 -1.38 -2.26 116.25 115.16 2k9a h VAL 73 Ca 0.00 -0.61 0.14 0.00 0.82 0.00 0.00 66.70 67.05 2k9a h VAL 73 Cb 0.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 73 CO 0.00 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 177.86 2k9a h GLU 74 N -1.02 0.50 -0.54 1.57 4.22 -1.58 0.27 114.58 118.00 2k9a h GLU 74 Ca -0.04 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 2k9a h GLU 74 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k9a h GLU 74 CO 0.07 0.33 0.01 -0.22 -2.18 0.00 0.00 179.01 177.02 2k9a h LYS 75 N 0.51 0.92 -0.54 1.92 1.63 -1.64 -2.70 116.57 116.67 2k9a h LYS 75 Ca 0.43 -0.26 0.07 0.00 -0.85 0.00 0.00 60.65 60.03 2k9a h LYS 75 Cb 0.63 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 2k9a h LYS 75 CO -0.38 0.91 0.23 -0.92 -3.45 0.00 0.00 179.45 175.83 2k9a h TYR 76 N 0.85 0.40 -0.42 1.91 3.20 -0.33 -1.08 116.97 121.51 2k9a h TYR 76 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 76 Cb 0.49 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2k9a h TYR 76 CO 0.03 0.15 0.16 0.82 -1.64 0.00 0.00 178.16 177.68 2k9a h ILE 77 N 0.43 1.21 -0.75 1.81 2.04 -1.25 -2.36 117.51 118.64 2k9a h ILE 77 Ca 0.26 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2k9a h ILE 77 Cb 0.25 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2k9a h ILE 77 CO -0.23 0.24 0.44 -0.08 0.00 0.00 0.00 178.15 178.52 2k9a h GLU 78 N 0.54 0.80 -0.04 2.37 4.81 -1.09 -1.70 114.58 120.27 2k9a h GLU 78 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k9a h GLU 78 Cb 0.22 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2k9a h GLU 78 CO -0.01 0.53 0.02 0.93 -0.73 0.00 0.00 179.01 179.74 2k9a h GLU 79 N 0.82 0.06 -0.41 1.92 4.39 -1.02 -1.29 114.58 119.04 2k9a h GLU 79 Ca 0.33 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.06 2k9a h GLU 79 Cb 0.16 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2k9a h GLU 79 CO -0.17 0.19 0.28 1.96 -1.16 0.00 0.00 179.01 180.11 2k9a h GLN 80 N -0.09 0.39 0.02 2.33 1.08 -1.10 -1.49 115.11 116.24 2k9a h GLN 80 Ca 0.01 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 2k9a h GLN 80 Cb 0.16 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2k9a h GLN 80 CO -0.00 0.26 -0.95 -0.07 -0.95 0.00 0.00 178.83 177.12 2k9a h LEU 81 N 0.40 0.34 -1.34 1.46 3.38 -1.06 -3.16 115.31 115.33 2k9a h LEU 81 Ca 0.17 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2k9a h LEU 81 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k9a h LEU 81 CO -0.04 1.11 -0.19 -0.07 0.09 0.00 0.00 178.44 179.34 2k9a h LEU 82 N 0.13 0.00 -2.71 1.67 3.38 -0.24 -0.78 115.31 116.76 2k9a h LEU 82 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k9a h LEU 82 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2k9a h LEU 82 CO 0.15 0.19 -0.01 1.56 0.09 0.00 0.00 178.44 180.42 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.35 -2.88 115.11 113.09 2k9a h GLN 83 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 83 Cb 0.63 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2k9a h GLN 83 CO 0.02 0.01 -1.55 0.54 -0.95 0.00 0.00 178.83 176.91 2k9a n ARG 84 N -3.20 0.80 -3.79 1.46 5.12 -0.99 -4.89 116.66 111.16 2k9a n ARG 84 Ca -0.03 0.04 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 2k9a n ARG 84 Cb 0.11 -1.19 -0.13 0.00 -1.16 0.00 0.00 32.46 30.08 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k9a s ILE 85 N -2.19 1.90 -1.10 0.55 1.09 -0.33 -4.95 121.20 116.17 2k9a s ILE 85 Ca -0.11 -3.04 0.06 0.00 -1.10 0.00 0.00 60.65 56.46 2k9a s ILE 85 Cb 0.03 -2.31 0.06 0.00 -1.06 0.00 0.00 42.46 39.19 2k9a s ILE 85 CO 0.24 -0.91 1.16 -2.65 -0.10 0.00 0.00 174.94 172.69 2k9a n PRO 86 N 3.14 0.02 -0.52 2.79 -0.02 -1.10 -1.19 135.00 138.11 2k9a n PRO 86 Ca 0.11 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 2k9a n PRO 86 Cb 0.35 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.62 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k9a n GLU 87 N -1.45 3.49 -2.98 -0.52 1.02 -1.26 -4.99 120.64 113.95 2k9a n GLU 87 Ca 0.02 -2.78 -0.35 0.00 -0.02 0.00 0.00 57.16 54.03 2k9a n GLU 87 Cb 0.07 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 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 -2.22 3.56 -0.28 -0.32 5.36 -0.34 -5.06 117.98 118.68 2k9a s PHE 88 Ca 0.44 1.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.93 2k9a s PHE 88 Cb 0.31 -2.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.35 2k9a s PHE 88 CO 0.16 0.19 -0.03 -0.80 -1.46 0.00 0.00 175.22 173.28 2k9a s ASN 89 N -1.83 4.43 0.33 6.13 -0.87 -1.26 -4.98 114.94 116.88 2k9a s ASN 89 Ca 0.50 -1.63 0.05 0.00 -1.57 0.00 0.00 52.86 50.21 2k9a s ASN 89 Cb -0.15 -1.47 0.57 0.00 -0.02 0.00 0.00 41.25 40.18 2k9a s ASN 89 CO 0.20 -0.27 1.82 -0.03 -2.57 0.00 0.00 177.10 176.25 2k9a h MET 90 N 7.77 0.44 0.53 -0.60 4.05 -1.97 -1.32 114.93 123.83 2k9a h MET 90 Ca -0.13 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.14 2k9a h MET 90 Cb 1.04 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2k9a h MET 90 CO 0.47 0.57 -0.25 0.00 0.23 0.00 0.00 176.91 177.93 2k9a h ALA 91 N 1.46 -0.71 0.00 0.39 0.00 -2.00 -2.01 119.26 116.39 2k9a h ALA 91 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 91 Cb 0.47 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k9a h ALA 91 CO 0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 179.25 178.38 2k9a h ALA 92 N -0.64 1.41 -0.09 0.00 0.00 -1.98 -2.75 119.26 115.20 2k9a h ALA 92 Ca -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 92 Cb 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k9a h ALA 92 CO 0.12 0.15 -0.06 0.35 0.00 0.00 0.00 179.25 179.82 2k9a h PHE 93 N 0.00 0.23 -0.37 0.00 3.57 -1.11 -2.74 116.94 116.52 2k9a h PHE 93 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 93 Cb 0.30 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2k9a h PHE 93 CO 0.00 0.59 0.21 1.79 -2.23 0.00 0.00 178.31 178.67 2k9a h THR 94 N -0.19 1.13 -0.42 4.41 1.35 -1.11 0.16 112.91 118.24 2k9a h THR 94 Ca 0.02 -0.32 0.06 0.00 -0.55 0.00 0.00 66.41 65.62 2k9a h THR 94 Cb 0.53 0.68 -0.05 0.00 -1.73 0.00 0.00 68.15 67.58 2k9a h THR 94 CO 0.02 0.13 0.11 0.71 -0.25 0.00 0.00 175.52 176.24 2k9a h THR 95 N 0.48 0.81 0.00 6.82 1.35 -1.54 -0.43 112.91 120.40 2k9a h THR 95 Ca 0.13 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.78 2k9a h THR 95 Cb 0.03 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2k9a h THR 95 CO -0.02 0.05 -0.59 0.74 -0.25 0.00 0.00 175.52 175.45 2k9a h THR 96 N 0.25 1.37 -0.43 6.82 2.02 -1.29 -3.19 112.91 118.46 2k9a h THR 96 Ca 0.20 -2.05 -0.08 0.00 0.77 0.00 0.00 66.41 65.26 2k9a h THR 96 Cb 0.23 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2k9a h THR 96 CO -0.24 0.58 -0.03 0.25 0.37 0.00 0.00 175.52 176.44 2k9a h LEU 97 N 0.00 0.77 -1.87 2.58 6.46 0.33 -1.21 115.31 122.37 2k9a h LEU 97 Ca -0.01 -0.33 0.20 0.00 -0.12 0.00 0.00 57.88 57.63 2k9a h LEU 97 Cb 1.07 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 2k9a h LEU 97 CO 0.08 0.91 0.54 1.56 -0.62 0.00 0.00 178.44 180.90 2k9a h GLN 98 N 0.61 0.11 0.13 1.25 4.20 -1.10 0.37 115.11 120.68 2k9a h GLN 98 Ca 0.12 -0.01 -0.28 0.00 0.06 0.00 0.00 58.65 58.54 2k9a h GLN 98 Cb 0.54 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2k9a h GLN 98 CO 0.03 0.07 -1.43 1.25 -0.67 0.00 0.00 178.83 178.08 2k9a h HIS 99 N 0.11 0.51 0.00 2.96 2.76 -1.60 -3.29 115.15 116.60 2k9a h HIS 99 Ca 0.37 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k9a h HIS 99 Cb 1.30 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2k9a h HIS 99 CO -0.00 1.56 0.00 0.72 -1.30 0.00 0.00 177.93 178.91 2k9a n HIS 100 N -3.87 0.00 0.32 5.26 8.25 -0.32 -2.71 115.22 122.14 2k9a n HIS 100 Ca -0.24 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.43 2k9a n HIS 100 Cb 0.93 -0.08 1.05 0.00 1.12 0.00 0.00 29.99 33.02 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 -0.41 0.44 116.57 119.83 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 176.74 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 5.19 -1.77 -3.38 116.42 120.66 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k9a h ASP 102 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2k9a h ASP 102 CO 0.00 0.00 -0.54 1.21 -3.12 0.00 0.00 179.24 176.79 2k9a n GLU 103 N -2.89 0.29 -0.88 3.56 2.13 -0.12 -5.02 120.64 117.70 2k9a n GLU 103 Ca 0.03 0.11 -0.33 0.00 0.66 0.00 0.00 57.16 57.63 2k9a n GLU 103 Cb 0.41 -0.97 0.13 0.00 0.27 0.00 0.00 31.44 31.27 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k9a n VAL 104 N -3.83 0.58 -1.52 6.31 3.14 -0.04 -4.76 118.33 118.20 2k9a n VAL 104 Ca -0.08 -0.17 -0.45 0.00 -2.96 0.00 0.00 64.34 60.68 2k9a n VAL 104 Cb 0.28 -0.83 -0.05 0.00 -1.06 0.00 0.00 33.84 32.18 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 -3.55 1.20 0.18 1.55 0.00 -1.26 -4.80 120.51 113.83 2k9a n ALA 105 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.25 2k9a n ALA 105 Cb 0.52 -2.79 0.40 0.00 0.00 0.00 0.00 19.45 17.59 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 14.72 0.05 1.19 0.00 0.00 -1.86 -2.69 103.07 114.49 2k9a h GLY 106 Ca -0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2k9a h GLY 106 CO 1.05 0.03 0.28 1.29 0.00 0.00 0.00 176.54 179.20 2k9a h ASP 107 N 0.04 0.94 -0.00 0.19 2.03 -1.95 0.81 116.42 118.48 2k9a h ASP 107 Ca 0.01 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.17 2k9a h ASP 107 Cb 0.52 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 2k9a h ASP 107 CO 0.04 0.84 -0.02 0.40 -1.03 0.00 0.00 179.24 179.47 2k9a h ILE 108 N 1.01 1.56 0.00 4.15 2.04 -1.89 -3.25 117.51 121.12 2k9a h ILE 108 Ca 0.23 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 2k9a h ILE 108 Cb 0.19 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2k9a h ILE 108 CO -0.02 0.43 -0.18 0.15 0.00 0.00 0.00 178.15 178.53 2k9a h PHE 109 N -0.68 0.00 -1.16 1.37 3.57 -1.45 -2.70 116.94 115.89 2k9a h PHE 109 Ca -0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.84 2k9a h PHE 109 Cb 0.72 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 2k9a h PHE 109 CO 0.17 0.18 0.83 0.22 -2.23 0.00 0.00 178.31 177.49 2k9a h ASP 110 N 0.00 0.01 0.02 0.41 3.58 -0.86 0.58 116.42 120.16 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 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2k9a h ASP 110 CO 0.02 0.00 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.34 2k9a h MET 111 N 0.01 -0.03 0.00 0.28 4.05 -1.64 -3.15 114.93 114.45 2k9a h MET 111 Ca 0.55 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.96 2k9a h MET 111 Cb 2.21 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 33.01 2k9a h MET 111 CO -0.01 0.56 -0.09 -0.07 0.23 0.00 0.00 176.91 177.53 2k9a h LEU 112 N -0.64 0.00 -1.88 3.39 3.38 -0.71 -2.85 115.31 115.99 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 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2k9a h LEU 112 CO 0.00 0.09 0.62 0.25 0.09 0.00 0.00 178.44 179.49 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.03 0.24 115.31 123.11 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 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 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 -3.84 0.00 0.05 1.05 -2.24 -1.08 -2.35 114.28 105.88 2k9a n THR 114 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k9a n THR 114 Cb 0.86 -0.93 0.32 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.41 0.00 4.78 0.04 -1.22 -3.39 116.94 117.56 2k9a h PHE 115 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k9a h PHE 115 Cb 0.00 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2k9a h PHE 115 CO 0.00 0.49 -0.23 -2.37 -0.60 0.00 0.00 178.31 175.60 2k9a n THR 116 N -4.24 0.00 -1.98 -1.55 5.66 -1.04 -4.99 114.28 106.14 2k9a n THR 116 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 2k9a n THR 116 Cb 0.29 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.84 4.97 0.33 1.09 1.11 -0.99 -4.78 116.67 116.56 2k9a s ASP 117 Ca 0.00 -0.52 0.02 0.00 0.18 0.00 0.00 52.55 52.23 2k9a s ASP 117 Cb 0.00 -2.56 0.60 0.00 1.07 0.00 0.00 42.92 42.04 2k9a s ASP 117 CO 0.00 -2.88 1.94 0.15 1.18 0.00 0.00 175.17 175.56 2k9a h PHE 118 N 11.70 0.92 -0.82 4.23 3.57 -1.89 -0.76 116.94 133.89 2k9a h PHE 118 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2k9a h PHE 118 Cb 1.01 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2k9a h PHE 118 CO 1.20 0.51 0.51 1.25 -2.23 0.00 0.00 178.31 179.55 2k9a h LEU 119 N 0.93 0.97 -0.36 0.59 5.85 -1.99 -1.55 115.31 119.75 2k9a h LEU 119 Ca 0.34 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 2k9a h LEU 119 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2k9a h LEU 119 CO -0.11 0.73 -0.74 0.00 -0.34 0.00 0.00 178.44 177.98 2k9a h ALA 120 N 1.44 0.67 0.30 1.25 0.00 -1.64 -2.38 119.26 118.91 2k9a h ALA 120 Ca 0.30 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k9a h ALA 120 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k9a h ALA 120 CO -0.06 0.92 -0.14 0.35 0.00 0.00 0.00 179.25 180.32 2k9a h PHE 121 N 0.00 -0.37 -0.56 0.00 3.57 -0.40 -0.25 116.94 118.93 2k9a h PHE 121 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.40 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 2k9a h PHE 121 CO 0.00 -0.05 0.12 -0.22 -2.23 0.00 0.00 178.31 175.93 2k9a h LYS 122 N -0.72 0.90 0.00 1.11 3.64 -1.41 -2.32 116.57 117.77 2k9a h LYS 122 Ca -0.04 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2k9a h LYS 122 Cb 0.49 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2k9a h LYS 122 CO 0.07 0.85 -0.13 1.49 -2.27 0.00 0.00 179.45 179.46 2k9a h GLU 123 N 0.80 0.00 -0.32 1.90 4.57 -1.44 -2.12 114.58 117.97 2k9a h GLU 123 Ca 0.17 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2k9a h GLU 123 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2k9a h GLU 123 CO 0.00 0.13 -0.07 1.98 -1.18 0.00 0.00 179.01 179.88 2k9a h MET 124 N 0.00 0.61 0.06 1.92 4.05 -0.48 -1.53 114.93 119.56 2k9a h MET 124 Ca -0.00 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2k9a h MET 124 Cb 0.24 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2k9a h MET 124 CO 0.02 0.79 -0.03 0.74 0.23 0.00 0.00 176.91 178.65 2k9a h PHE 125 N 0.38 -0.08 -0.23 1.39 0.04 -1.15 -1.51 116.94 115.78 2k9a h PHE 125 Ca 0.08 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2k9a h PHE 125 Cb 0.56 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2k9a h PHE 125 CO 0.05 0.15 0.16 -0.07 -0.60 0.00 0.00 178.31 178.00 2k9a h LEU 126 N -0.30 0.27 0.11 1.54 4.07 -1.42 -0.98 115.31 118.60 2k9a h LEU 126 Ca -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2k9a h LEU 126 Cb 0.26 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2k9a h LEU 126 CO 0.01 0.19 -0.05 -0.78 -1.08 0.00 0.00 178.44 176.74 2k9a h ASP 127 N 0.32 -0.12 -0.48 -0.43 3.58 -1.08 -2.41 116.42 115.80 2k9a h ASP 127 Ca 0.09 -0.38 0.05 0.00 0.42 0.00 0.00 57.03 57.21 2k9a h ASP 127 Cb -0.04 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2k9a h ASP 127 CO -0.02 0.35 0.32 0.22 -2.88 0.00 0.00 179.24 177.23 2k9a h TYR 128 N -0.62 0.43 -0.04 0.28 3.20 -0.94 -2.08 116.97 117.19 2k9a h TYR 128 Ca -0.01 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k9a h TYR 128 Cb 0.49 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2k9a h TYR 128 CO 0.07 0.24 0.01 -0.09 -1.64 0.00 0.00 178.16 176.75 2k9a h ARG 129 N 0.44 0.07 -0.58 1.82 2.43 -1.12 -2.82 114.38 114.61 2k9a h ARG 129 Ca 0.21 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 2k9a h ARG 129 Cb 0.26 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2k9a h ARG 129 CO -0.05 0.30 0.39 0.00 -1.51 0.00 0.00 179.97 179.10 2k9a h ALA 130 N 0.77 2.14 -0.64 2.80 0.00 -0.86 -1.55 119.26 121.92 2k9a h ALA 130 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k9a h ALA 130 Cb 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2k9a h ALA 130 CO 0.00 -0.29 0.33 0.93 0.00 0.00 0.00 179.25 180.23 2k9a h GLU 131 N 0.29 0.59 0.00 0.00 4.39 -1.19 -0.07 114.58 118.59 2k9a h GLU 131 Ca 0.27 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2k9a h GLU 131 Cb 0.67 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2k9a h GLU 131 CO -0.06 0.39 0.00 0.87 -1.16 0.00 0.00 179.01 179.04 2k9a h LYS 132 N 0.60 0.00 -0.01 2.33 6.56 -1.32 -2.63 116.57 122.11 2k9a h LYS 132 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 2k9a h LYS 132 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2k9a h LYS 132 CO -0.21 0.00 -0.21 0.39 -2.06 0.00 0.00 179.45 177.36 2k9a n GLU 133 N -2.66 0.94 -0.24 3.15 1.02 -0.13 -3.67 120.64 119.05 2k9a n GLU 133 Ca 0.03 -0.53 0.10 0.00 -0.02 0.00 0.00 57.16 56.74 2k9a n GLU 133 Cb 0.35 -1.49 0.23 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.31 2.05 3.81 0.62 0.00 -0.65 -4.96 105.19 107.36 2k9a n GLY 134 Ca 0.13 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.20 4.26 0.00 1.61 6.06 -1.24 -5.10 118.95 123.34 2k9a s ARG 135 Ca 0.38 0.81 0.29 0.00 -2.50 0.00 0.00 55.73 54.70 2k9a s ARG 135 Cb 0.21 -3.20 1.23 0.00 0.06 0.00 0.00 34.95 33.24 2k9a s ARG 135 CO 0.28 0.61 1.84 0.41 -2.50 0.00 0.00 175.30 175.94