#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 0.85 -0.15 6.12 2.15 -1.26 -5.15 116.67 119.23 2k9a s ASP 2 Ca 0.00 -0.15 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 2k9a s ASP 2 Cb 0.00 -0.09 0.05 0.00 -0.30 0.00 0.00 42.92 42.58 2k9a s ASP 2 CO 0.00 0.08 0.36 0.00 -0.17 0.00 0.00 175.17 175.44 2k9a s ALA 3 N -0.21 -0.91 -2.07 3.66 0.00 -1.26 -5.02 121.76 115.96 2k9a s ALA 3 Ca 0.02 1.35 0.27 0.00 0.00 0.00 0.00 51.96 53.60 2k9a s ALA 3 Cb -0.03 -0.82 0.88 0.00 0.00 0.00 0.00 23.12 23.14 2k9a s ALA 3 CO -0.00 -0.24 1.64 1.28 0.00 0.00 0.00 175.76 178.44 2k9a n LEU 4 N 4.14 1.23 -4.62 0.00 7.99 -1.26 -4.87 117.00 119.61 2k9a n LEU 4 Ca -0.23 -0.36 -0.32 0.00 -0.01 0.00 0.00 56.01 55.09 2k9a n LEU 4 Cb 0.55 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.69 2k9a n LEU 4 CO 0.10 0.22 -0.37 -1.83 -1.51 0.00 0.00 177.39 174.00 2k9a s GLU 5 N -2.29 2.52 0.00 3.23 -1.05 -1.26 -4.81 118.70 115.04 2k9a s GLU 5 Ca 0.30 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2k9a s GLU 5 Cb 0.20 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 2k9a s GLU 5 CO 0.44 0.58 0.00 0.41 0.95 0.00 0.00 175.26 177.65 2k9a n GLY 6 N 1.27 2.50 3.61 -3.83 0.00 -1.26 -5.11 105.19 102.37 2k9a n GLY 6 Ca -0.14 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 2k9a n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k9a s GLU 7 N 0.00 3.77 -0.19 1.61 2.02 -1.26 -4.83 118.70 119.82 2k9a s GLU 7 Ca 0.00 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 2k9a s GLU 7 Cb 0.00 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.19 2k9a s GLU 7 CO 0.00 0.33 0.23 0.45 0.02 0.00 0.00 175.26 176.29 2k9a n SER 8 N 3.33 -1.05 -0.04 -0.19 2.88 -1.26 -4.97 113.62 112.32 2k9a n SER 8 Ca -0.17 1.35 -0.10 0.00 -1.33 0.00 0.00 58.87 58.61 2k9a n SER 8 Cb 0.52 -5.18 -0.09 0.00 -0.75 0.00 0.00 64.21 58.72 2k9a n SER 8 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2k9a h PHE 9 N 4.09 -0.04 -2.96 0.66 -1.00 -1.98 -3.45 116.94 112.26 2k9a h PHE 9 Ca -0.52 -0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.73 2k9a h PHE 9 Cb 1.18 0.01 0.03 0.00 3.61 0.00 0.00 35.95 40.79 2k9a h PHE 9 CO 0.00 0.60 0.78 0.00 -1.61 0.00 0.00 178.31 178.08 2k9a s ALA 10 N -2.74 3.66 -0.91 2.45 0.00 -1.26 -4.89 121.76 118.07 2k9a s ALA 10 Ca -0.14 1.22 0.23 0.00 0.00 0.00 0.00 51.96 53.27 2k9a s ALA 10 Cb -0.01 -3.57 0.93 0.00 0.00 0.00 0.00 23.12 20.47 2k9a s ALA 10 CO 0.50 -0.67 1.72 1.28 0.00 0.00 0.00 175.76 178.59 2k9a n LEU 11 N 3.87 0.18 -4.84 0.00 4.32 -1.26 -4.81 117.00 114.47 2k9a n LEU 11 Ca 0.12 0.53 -0.31 0.00 -0.02 0.00 0.00 56.01 56.33 2k9a n LEU 11 Cb 0.41 -0.49 0.05 0.00 -1.62 0.00 0.00 43.42 41.77 2k9a n LEU 11 CO 0.60 -0.18 0.72 -0.94 -1.22 0.00 0.00 177.39 176.37 2k9a s SER 12 N -3.34 5.45 0.00 -1.43 1.04 -1.26 -4.97 113.70 109.19 2k9a s SER 12 Ca 0.10 1.42 0.21 0.00 0.48 0.00 0.00 55.95 58.15 2k9a s SER 12 Cb 0.14 -2.30 0.54 0.00 0.10 0.00 0.00 66.02 64.49 2k9a s SER 12 CO 0.43 -1.37 1.45 0.49 0.98 0.00 0.00 173.24 175.22 2k9a n PHE 13 N -3.06 0.66 -2.50 5.02 3.72 -1.26 -4.89 117.46 115.14 2k9a n PHE 13 Ca 0.07 -0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 56.71 2k9a n PHE 13 Cb 0.55 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k9a s SER 14 N -1.23 6.58 0.30 4.37 0.01 -1.26 -4.87 113.70 117.60 2k9a s SER 14 Ca 0.40 0.74 0.25 0.00 1.31 0.00 0.00 55.95 58.65 2k9a s SER 14 Cb 0.22 -2.54 0.67 0.00 0.21 0.00 0.00 66.02 64.57 2k9a s SER 14 CO 0.30 -1.25 1.72 0.28 0.41 0.00 0.00 173.24 174.70 2k9a h SER 15 N 9.58 0.00 0.47 2.44 0.02 -1.92 -3.19 113.55 120.95 2k9a h SER 15 Ca -0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2k9a h SER 15 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2k9a h SER 15 CO 1.09 0.00 -0.23 0.00 -1.14 0.00 0.00 176.83 176.56 2k9a h ALA 16 N 2.32 -0.63 -0.22 3.77 0.00 -1.97 -1.85 119.26 120.68 2k9a h ALA 16 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k9a h ALA 16 Cb 0.81 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k9a h ALA 16 CO 0.00 -0.80 0.00 0.43 0.00 0.00 0.00 179.25 178.88 2k9a n SER 17 N -5.32 1.24 -4.93 0.00 7.64 -1.25 -4.55 113.62 106.45 2k9a n SER 17 Ca -0.11 -1.93 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 2k9a n SER 17 Cb 0.29 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.10 5.53 0.62 6.43 2.15 -1.01 -4.99 116.67 124.29 2k9a s ASP 18 Ca 0.18 -0.44 0.34 0.00 0.43 0.00 0.00 52.55 53.07 2k9a s ASP 18 Cb 0.10 -0.91 1.97 0.00 -0.30 0.00 0.00 42.92 43.78 2k9a s ASP 18 CO 0.13 -0.52 2.24 0.00 -0.17 0.00 0.00 175.17 176.85 2k9a h ALA 19 N 0.97 1.41 -0.40 3.66 0.00 -1.89 -2.41 119.26 120.60 2k9a h ALA 19 Ca -0.43 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2k9a h ALA 19 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2k9a h ALA 19 CO 0.54 -0.08 0.14 1.49 0.00 0.00 0.00 179.25 181.34 2k9a h GLU 20 N 0.00 0.29 -0.41 0.00 4.57 -1.93 -2.19 114.58 114.91 2k9a h GLU 20 Ca 0.02 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2k9a h GLU 20 Cb 0.14 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2k9a h GLU 20 CO -0.00 0.19 0.04 0.35 -1.18 0.00 0.00 179.01 178.41 2k9a h PHE 21 N 0.30 0.05 -0.88 0.92 3.57 -0.81 -1.57 116.94 118.52 2k9a h PHE 21 Ca 0.18 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2k9a h PHE 21 Cb 0.16 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 2k9a h PHE 21 CO -0.15 -0.04 0.54 -0.44 -2.23 0.00 0.00 178.31 175.99 2k9a h ASP 22 N 0.15 0.85 -0.71 0.41 3.32 -1.56 -1.84 116.42 117.03 2k9a h ASP 22 Ca 0.20 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2k9a h ASP 22 Cb 0.27 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2k9a h ASP 22 CO -0.30 0.53 0.45 0.00 -1.72 0.00 0.00 179.24 178.20 2k9a h ALA 23 N 1.42 0.93 -0.82 3.45 0.00 -0.70 -2.24 119.26 121.29 2k9a h ALA 23 Ca 0.39 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2k9a h ALA 23 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 23 CO -0.19 0.23 0.54 0.28 0.00 0.00 0.00 179.25 180.11 2k9a h VAL 24 N 0.88 1.22 -0.90 0.00 2.07 -0.75 -2.28 116.25 116.48 2k9a h VAL 24 Ca 0.28 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2k9a h VAL 24 Cb 0.01 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.74 2k9a h VAL 24 CO -0.10 0.21 0.58 0.58 0.02 0.00 0.00 177.57 178.86 2k9a h VAL 25 N 1.12 1.14 -0.59 2.57 2.07 -0.97 -0.97 116.25 120.61 2k9a h VAL 25 Ca 0.30 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k9a h VAL 25 Cb -0.11 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.55 2k9a h VAL 25 CO -0.06 0.20 0.36 1.23 0.02 0.00 0.00 177.57 179.32 2k9a h GLY 26 N 1.12 0.85 2.00 2.17 0.00 -1.02 -2.10 103.07 106.09 2k9a h GLY 26 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 2k9a h GLY 26 CO -0.12 0.34 -0.36 -0.97 0.00 0.00 0.00 176.54 175.42 2k9a h TYR 27 N 0.80 0.00 -0.11 5.60 0.05 -1.08 -2.57 116.97 119.65 2k9a h TYR 27 Ca 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2k9a h TYR 27 Cb -0.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 2k9a h TYR 27 CO -0.02 0.36 0.02 -0.07 -1.05 0.00 0.00 178.16 177.40 2k9a h LEU 28 N 0.00 0.18 -1.21 3.88 3.38 -0.55 -2.48 115.31 118.51 2k9a h LEU 28 Ca -0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2k9a h LEU 28 Cb 0.68 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2k9a h LEU 28 CO 0.05 0.38 0.01 -0.33 0.09 0.00 0.00 178.44 178.64 2k9a h GLU 29 N -0.03 0.55 -0.84 1.13 5.08 -1.31 -2.21 114.58 116.95 2k9a h GLU 29 Ca 0.03 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2k9a h GLU 29 Cb 0.27 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2k9a h GLU 29 CO 0.00 0.57 0.40 0.22 -1.00 0.00 0.00 179.01 179.20 2k9a h ASP 30 N 0.53 1.10 -0.14 1.42 1.82 -1.29 -2.31 116.42 117.54 2k9a h ASP 30 Ca 0.11 -0.14 -0.16 0.00 -0.39 0.00 0.00 57.03 56.45 2k9a h ASP 30 Cb 0.32 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 2k9a h ASP 30 CO 0.01 0.92 -0.50 0.40 -1.61 0.00 0.00 179.24 178.46 2k9a h ILE 31 N 1.19 1.30 -0.74 2.25 2.04 -1.04 -2.13 117.51 120.37 2k9a h ILE 31 Ca 0.29 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2k9a h ILE 31 Cb 0.12 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2k9a h ILE 31 CO -0.04 0.55 0.41 0.40 0.00 0.00 0.00 178.15 179.47 2k9a h ILE 32 N 0.56 1.22 -0.07 -0.67 2.04 -1.13 -1.97 117.51 117.50 2k9a h ILE 32 Ca 0.02 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k9a h ILE 32 Cb 1.07 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2k9a h ILE 32 CO 0.10 0.24 0.00 0.23 0.00 0.00 0.00 178.15 178.73 2k9a n MET 33 N -4.47 1.59 -1.90 2.37 2.81 -0.90 -4.64 117.12 111.98 2k9a n MET 33 Ca 0.07 -0.87 -0.42 0.00 -1.81 0.00 0.00 57.70 54.67 2k9a n MET 33 Cb 0.09 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.81 6.55 0.13 7.83 2.15 -0.74 -4.91 116.67 125.86 2k9a s ASP 34 Ca 0.36 2.68 -0.21 0.00 0.43 0.00 0.00 52.55 55.81 2k9a s ASP 34 Cb 0.19 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 2k9a s ASP 34 CO 0.30 -0.85 1.69 -0.78 -0.17 0.00 0.00 175.17 175.37 2k9a h ASP 35 N 6.62 -0.29 0.12 -0.34 3.58 -1.90 -0.32 116.42 123.88 2k9a h ASP 35 Ca -0.43 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2k9a h ASP 35 Cb 1.20 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.41 2k9a h ASP 35 CO 0.91 -0.12 -0.07 -0.08 -2.88 0.00 0.00 179.24 177.00 2k9a h GLU 36 N -0.08 0.00 -0.02 0.28 4.57 -1.95 -1.75 114.58 115.64 2k9a h GLU 36 Ca 0.09 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.03 2k9a h GLU 36 Cb 0.21 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2k9a h GLU 36 CO -0.21 0.07 -0.91 0.35 -1.18 0.00 0.00 179.01 177.14 2k9a h PHE 37 N 0.00 0.95 -0.38 0.92 3.57 -1.50 -2.54 116.94 117.96 2k9a h PHE 37 Ca -0.00 -0.50 -0.10 0.00 3.53 0.00 0.00 57.97 60.90 2k9a h PHE 37 Cb 0.15 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2k9a h PHE 37 CO 0.00 1.33 -0.17 1.96 -2.23 0.00 0.00 178.31 179.21 2k9a h GLN 38 N 0.29 0.71 -0.37 1.11 4.20 -0.58 0.27 115.11 120.75 2k9a h GLN 38 Ca -0.11 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.24 2k9a h GLN 38 Cb 1.57 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 2k9a h GLN 38 CO 0.18 0.84 -0.20 1.25 -0.67 0.00 0.00 178.83 180.23 2k9a h LEU 39 N 0.64 0.81 -0.41 1.46 6.46 -1.38 -1.59 115.31 121.30 2k9a h LEU 39 Ca 0.10 -0.41 -0.18 0.00 -0.12 0.00 0.00 57.88 57.27 2k9a h LEU 39 Cb 0.64 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2k9a h LEU 39 CO 0.04 1.05 -0.66 0.25 -0.62 0.00 0.00 178.44 178.50 2k9a h LEU 40 N 0.58 0.62 0.17 2.25 6.46 -1.33 -1.91 115.31 122.15 2k9a h LEU 40 Ca 0.08 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 2k9a h LEU 40 Cb 0.75 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2k9a h LEU 40 CO 0.06 1.11 -0.08 -0.61 -0.62 0.00 0.00 178.44 178.30 2k9a h GLN 41 N 0.39 -0.22 -0.24 1.25 4.15 -0.90 -2.73 115.11 116.82 2k9a h GLN 41 Ca -0.02 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 2k9a h GLN 41 Cb 1.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2k9a h GLN 41 CO 0.12 0.13 -0.14 0.00 -1.93 0.00 0.00 178.83 177.01 2k9a h ARG 42 N -0.59 0.39 -0.12 1.69 3.08 -1.37 -0.35 114.38 117.12 2k9a h ARG 42 Ca -0.02 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2k9a h ARG 42 Cb 0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k9a h ARG 42 CO 0.04 0.53 0.07 -0.97 -1.07 0.00 0.00 179.97 178.57 2k9a h ASN 43 N 0.37 0.14 0.11 7.04 -1.24 -1.32 -2.01 115.58 118.67 2k9a h ASN 43 Ca 0.07 -0.06 -0.27 0.00 0.71 0.00 0.00 56.30 56.74 2k9a h ASN 43 Cb 0.47 -0.04 0.02 0.00 0.73 0.00 0.00 38.32 39.50 2k9a h ASN 43 CO 0.03 0.16 -1.11 -0.26 -1.29 0.00 0.00 177.43 174.96 2k9a h PHE 44 N 0.11 0.96 -0.09 0.67 -1.00 -1.37 -3.20 116.94 113.02 2k9a h PHE 44 Ca 0.04 -0.56 0.02 0.00 2.81 0.00 0.00 57.97 60.29 2k9a h PHE 44 Cb 0.05 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 2k9a h PHE 44 CO -0.05 1.39 0.08 0.52 -1.61 0.00 0.00 178.31 178.64 2k9a h MET 45 N 0.32 0.00 -0.04 1.51 2.86 -1.02 0.11 114.93 118.68 2k9a h MET 45 Ca -0.14 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2k9a h MET 45 Cb 1.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 2k9a h MET 45 CO 0.21 0.00 -0.15 0.22 1.06 0.00 0.00 176.91 178.25 2k9a h ASP 46 N 0.00 0.05 0.03 1.22 1.82 -1.35 -1.41 116.42 116.78 2k9a h ASP 46 Ca 0.04 -0.01 -0.32 0.00 -0.39 0.00 0.00 57.03 56.35 2k9a h ASP 46 Cb 0.20 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 2k9a h ASP 46 CO -0.00 0.21 -1.79 1.17 -1.61 0.00 0.00 179.24 177.23 2k9a n LYS 47 N -4.33 0.63 -0.15 0.28 3.00 -0.12 -4.13 118.16 113.34 2k9a n LYS 47 Ca -0.02 0.40 -0.04 0.00 -0.00 0.00 0.00 58.31 58.66 2k9a n LYS 47 Cb 0.24 -1.67 0.05 0.00 0.00 0.00 0.00 35.03 33.65 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 -0.64 0.30 0.00 5.64 -1.99 -1.14 -0.59 116.97 118.55 2k9a h TYR 48 Ca -0.45 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.30 2k9a h TYR 48 Cb 1.60 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.27 2k9a h TYR 48 CO 0.05 0.10 0.00 0.10 -0.00 0.00 0.00 178.16 178.41 2k9a h TYR 49 N 0.34 0.00 0.01 4.88 -0.00 -1.47 -1.35 116.97 119.38 2k9a h TYR 49 Ca 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.96 2k9a h TYR 49 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.96 2k9a h TYR 49 CO -0.16 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 177.93 2k9a h LEU 50 N 0.00 -0.01 -0.74 0.10 3.38 -1.27 -3.32 115.31 113.45 2k9a h LEU 50 Ca 0.00 -0.81 -0.10 0.00 0.09 0.00 0.00 57.88 57.05 2k9a h LEU 50 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k9a h LEU 50 CO 0.00 0.82 -0.13 -0.33 0.09 0.00 0.00 178.44 178.89 2k9a h GLU 51 N -0.85 0.83 -5.85 1.13 3.07 -1.21 -3.38 114.58 108.32 2k9a h GLU 51 Ca -0.00 -0.29 -0.43 0.00 -0.50 0.00 0.00 59.36 58.14 2k9a h GLU 51 Cb 0.82 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.60 2k9a h GLU 51 CO 0.00 0.91 1.12 -0.06 -1.40 0.00 0.00 179.01 179.58 2k9a s PHE 52 N -4.77 2.14 0.48 4.33 0.40 -0.53 -4.96 117.98 115.06 2k9a s PHE 52 Ca -0.10 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.16 2k9a s PHE 52 Cb 0.14 -4.32 -0.01 0.00 0.51 0.00 0.00 43.02 39.33 2k9a s PHE 52 CO 0.83 -1.79 0.74 -1.21 0.70 0.00 0.00 175.22 174.50 2k9a s GLU 53 N 6.07 3.23 0.00 0.44 2.02 -1.26 -4.75 118.70 124.45 2k9a s GLU 53 Ca 0.60 -0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.47 2k9a s GLU 53 Cb -0.03 -2.45 0.19 0.00 0.10 0.00 0.00 34.13 31.93 2k9a s GLU 53 CO -0.03 -0.29 0.96 -0.40 0.02 0.00 0.00 175.26 175.52 2k9a n ASP 54 N -2.21 0.00 -4.77 -0.19 5.75 -1.26 -4.85 116.55 109.02 2k9a n ASP 54 Ca 0.01 -1.54 -0.40 0.00 -0.01 0.00 0.00 54.79 52.84 2k9a n ASP 54 Cb 0.57 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.64 2k9a n ASP 54 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2k9a s THR 55 N -2.00 2.58 -1.86 2.12 -4.23 -1.26 -4.90 115.64 106.09 2k9a s THR 55 Ca 0.05 0.57 0.31 0.00 -1.18 0.00 0.00 61.69 61.44 2k9a s THR 55 Cb 0.02 -3.35 0.73 0.00 1.34 0.00 0.00 72.50 71.23 2k9a s THR 55 CO 0.04 0.12 2.10 -0.62 -0.54 0.00 0.00 174.62 175.71 2k9a n GLU 56 N 0.54 0.88 -2.14 3.99 1.02 -1.26 -4.86 120.64 118.81 2k9a n GLU 56 Ca 0.01 -0.12 -0.32 0.00 -0.02 0.00 0.00 57.16 56.71 2k9a n GLU 56 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k9a s GLU 57 N -2.20 3.62 -0.07 3.49 0.41 -1.26 -5.07 118.70 117.62 2k9a s GLU 57 Ca 0.40 1.00 0.01 0.00 -0.41 0.00 0.00 54.97 55.97 2k9a s GLU 57 Cb 0.21 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 2k9a s GLU 57 CO 0.40 -0.55 -0.08 0.54 -0.49 0.00 0.00 175.26 175.09 2k9a s ASN 58 N -3.22 4.59 0.16 -0.19 4.22 -1.26 -5.11 114.94 114.14 2k9a s ASN 58 Ca 0.60 -0.04 0.05 0.00 -2.14 0.00 0.00 52.86 51.33 2k9a s ASN 58 Cb -0.12 -1.16 -0.05 0.00 1.28 0.00 0.00 41.25 41.20 2k9a s ASN 58 CO 0.39 0.35 -0.11 -0.54 -2.04 0.00 0.00 177.10 175.15 2k9a s LYS 59 N -0.76 1.14 0.09 3.55 1.02 -1.26 -5.03 119.74 118.49 2k9a s LYS 59 Ca 0.12 -1.49 0.28 0.00 0.02 0.00 0.00 55.97 54.89 2k9a s LYS 59 Cb -0.11 -0.77 1.06 0.00 -0.52 0.00 0.00 37.83 37.49 2k9a s LYS 59 CO 0.01 0.10 1.86 1.28 -0.92 0.00 0.00 175.35 177.69 2k9a n LEU 60 N -0.25 0.35 0.14 3.17 7.99 -1.26 -3.31 117.00 123.82 2k9a n LEU 60 Ca -0.10 0.53 0.12 0.00 -0.01 0.00 0.00 56.01 56.56 2k9a n LEU 60 Cb 0.61 -0.42 0.51 0.00 -0.11 0.00 0.00 43.42 44.01 2k9a n LEU 60 CO 0.33 -0.08 0.86 0.00 -1.51 0.00 0.00 177.39 176.99 2k9a n ILE 61 N -1.82 0.85 0.26 -0.08 0.13 -1.26 -2.26 119.36 115.18 2k9a n ILE 61 Ca 0.06 0.30 0.16 0.00 -1.10 0.00 0.00 62.75 62.17 2k9a n ILE 61 Cb 0.38 -1.24 0.59 0.00 -0.84 0.00 0.00 39.64 38.53 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 0.04 9.51 0.05 -1.99 -2.86 116.97 121.72 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 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2k9a h TYR 62 CO 0.00 0.02 -0.02 1.15 -1.05 0.00 0.00 178.16 178.26 2k9a h THR 63 N 0.00 1.26 -0.75 -2.88 2.02 -1.71 -2.54 112.91 108.31 2k9a h THR 63 Ca -0.00 -1.66 -0.04 0.00 0.77 0.00 0.00 66.41 65.48 2k9a h THR 63 Cb 0.60 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 2k9a h THR 63 CO 0.00 0.38 0.32 -0.65 0.37 0.00 0.00 175.52 175.94 2k9a h PRO 64 N -0.87 1.12 -0.32 6.66 0.11 -1.72 -2.16 132.00 134.81 2k9a h PRO 64 Ca -0.01 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2k9a h PRO 64 Cb 0.67 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.01 0.90 0.10 0.82 -0.21 0.00 0.00 178.00 179.62 2k9a h ILE 65 N 1.08 1.20 -0.19 4.15 2.04 -1.63 -2.09 117.51 122.06 2k9a h ILE 65 Ca 0.25 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2k9a h ILE 65 Cb 0.19 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2k9a h ILE 65 CO -0.02 0.22 0.13 0.15 0.00 0.00 0.00 178.15 178.62 2k9a h PHE 66 N 0.36 0.24 -0.11 1.37 3.57 -1.32 -2.02 116.94 119.04 2k9a h PHE 66 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2k9a h PHE 66 Cb 0.24 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2k9a h PHE 66 CO 0.01 0.15 0.02 -0.91 -2.23 0.00 0.00 178.31 175.34 2k9a h ASN 67 N 0.26 0.13 -0.11 0.41 2.35 -1.34 -1.87 115.58 115.42 2k9a h ASN 67 Ca 0.07 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 2k9a h ASN 67 Cb -0.03 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2k9a h ASN 67 CO -0.02 0.14 -0.44 -0.08 -1.65 0.00 0.00 177.43 175.39 2k9a h GLU 68 N 0.15 0.65 -0.33 0.81 4.57 -0.73 -1.72 114.58 117.98 2k9a h GLU 68 Ca 0.04 -0.35 -0.17 0.00 -1.18 0.00 0.00 59.36 57.69 2k9a h GLU 68 Cb 0.07 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2k9a h GLU 68 CO -0.00 0.96 -0.47 -0.92 -1.18 0.00 0.00 179.01 177.40 2k9a h TYR 69 N 0.53 1.11 0.00 0.92 3.20 -0.68 0.33 116.97 122.38 2k9a h TYR 69 Ca 0.04 -0.37 -0.12 0.00 3.14 0.00 0.00 58.73 61.42 2k9a h TYR 69 Cb 0.97 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 2k9a h TYR 69 CO 0.04 1.20 -0.59 0.82 -1.64 0.00 0.00 178.16 177.99 2k9a h ILE 70 N 0.71 1.32 0.00 1.81 1.08 -1.36 -0.19 117.51 120.88 2k9a h ILE 70 Ca 0.04 -2.09 -0.28 0.00 -0.39 0.00 0.00 64.86 62.14 2k9a h ILE 70 Cb 1.07 2.16 -0.05 0.00 -3.07 0.00 0.00 36.82 36.93 2k9a h ILE 70 CO 0.11 0.58 -1.57 -1.28 -0.69 0.00 0.00 178.15 175.29 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.27 -2.96 113.55 111.91 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 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2k9a h SER 71 CO 0.08 1.00 -0.44 -0.11 -0.53 0.00 0.00 176.83 176.82 2k9a n LEU 72 N -3.10 1.52 0.13 2.23 7.94 0.10 -4.12 117.00 121.70 2k9a n LEU 72 Ca -0.14 0.57 -0.06 0.00 -1.11 0.00 0.00 56.01 55.27 2k9a n LEU 72 Cb 1.03 -0.81 -0.03 0.00 0.53 0.00 0.00 43.42 44.14 2k9a n LEU 72 CO 0.45 -0.47 0.19 0.58 -1.11 0.00 0.00 177.39 177.03 2k9a h VAL 73 N -0.84 0.00 -0.96 1.96 2.07 -1.22 -1.69 116.25 115.57 2k9a h VAL 73 Ca 0.00 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 67.15 2k9a h VAL 73 Cb 0.44 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 2k9a h VAL 73 CO 0.00 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 178.09 2k9a h GLU 74 N -0.92 0.82 -0.09 1.57 4.81 -1.54 0.89 114.58 120.12 2k9a h GLU 74 Ca -0.04 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2k9a h GLU 74 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2k9a h GLU 74 CO 0.07 0.54 -0.49 -0.22 -0.73 0.00 0.00 179.01 178.19 2k9a h LYS 75 N 0.85 0.23 0.11 1.92 3.64 -1.62 -2.68 116.57 119.02 2k9a h LYS 75 Ca 0.51 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2k9a h LYS 75 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2k9a h LYS 75 CO -0.32 0.67 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.56 2k9a h TYR 76 N 0.19 -0.14 -1.00 1.91 3.20 0.14 -1.31 116.97 119.95 2k9a h TYR 76 Ca 0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2k9a h TYR 76 Cb 0.93 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 2k9a h TYR 76 CO 0.02 0.00 0.67 0.82 -1.64 0.00 0.00 178.16 178.02 2k9a h ILE 77 N -0.25 1.26 0.07 1.81 2.04 -1.34 -1.86 117.51 119.24 2k9a h ILE 77 Ca -0.02 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2k9a h ILE 77 Cb 0.20 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 2k9a h ILE 77 CO 0.03 0.25 -0.03 -0.08 0.00 0.00 0.00 178.15 178.31 2k9a h GLU 78 N 1.36 -0.09 -0.83 2.37 4.81 -1.27 -2.32 114.58 118.61 2k9a h GLU 78 Ca 0.37 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2k9a h GLU 78 Cb -0.15 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2k9a h GLU 78 CO -0.08 0.01 0.50 0.93 -0.73 0.00 0.00 179.01 179.64 2k9a h GLU 79 N -0.17 1.13 -0.31 1.92 5.08 -1.02 -1.29 114.58 119.93 2k9a h GLU 79 Ca -0.01 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2k9a h GLU 79 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2k9a h GLU 79 CO 0.02 0.79 0.03 1.96 -1.00 0.00 0.00 179.01 180.80 2k9a h GLN 80 N 1.14 0.45 0.13 2.33 1.08 -1.22 -1.98 115.11 117.04 2k9a h GLN 80 Ca 0.30 -0.08 -0.29 0.00 -1.45 0.00 0.00 58.65 57.13 2k9a h GLN 80 Cb -0.05 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2k9a h GLN 80 CO -0.06 0.46 -1.24 -0.07 -0.95 0.00 0.00 178.83 176.97 2k9a h LEU 81 N 0.44 0.70 -1.49 1.46 3.38 -0.93 -3.26 115.31 115.61 2k9a h LEU 81 Ca 0.10 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 2k9a h LEU 81 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k9a h LEU 81 CO 0.00 1.50 -0.15 -0.07 0.09 0.00 0.00 178.44 179.81 2k9a h LEU 82 N 0.19 0.00 -2.27 1.67 -0.00 -0.98 -2.53 115.31 111.38 2k9a h LEU 82 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2k9a h LEU 82 Cb 1.92 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.58 2k9a h LEU 82 CO 0.22 0.15 0.24 1.56 -0.00 0.00 0.00 178.44 180.62 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.40 -1.02 115.11 118.02 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 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2k9a h GLN 83 CO 0.02 0.00 -0.52 0.54 -0.67 0.00 0.00 178.83 178.20 2k9a n ARG 84 N -3.03 3.58 -3.57 1.46 1.74 -1.03 -4.91 116.66 110.90 2k9a n ARG 84 Ca -0.02 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 2k9a n ARG 84 Cb 0.31 -0.77 -0.13 0.00 -1.02 0.00 0.00 32.46 30.85 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 -1.56 0.65 -1.74 0.55 1.01 -0.39 -4.97 121.20 114.75 2k9a s ILE 85 Ca 0.00 -1.97 0.21 0.00 0.00 0.00 0.00 60.65 58.89 2k9a s ILE 85 Cb 0.01 -1.47 0.49 0.00 0.01 0.00 0.00 42.46 41.50 2k9a s ILE 85 CO 0.05 -0.93 1.65 -0.81 0.00 0.00 0.00 174.94 174.91 2k9a n PRO 86 N 3.95 0.50 -0.10 2.79 -0.04 -1.18 -2.25 135.00 138.66 2k9a n PRO 86 Ca 0.09 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2k9a n PRO 86 Cb 0.36 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.13 2.43 -1.92 0.54 1.02 -1.26 -5.03 120.64 115.28 2k9a n GLU 87 Ca 0.13 -1.74 -0.37 0.00 -0.02 0.00 0.00 57.16 55.16 2k9a n GLU 87 Cb 0.11 -1.19 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.94 2.37 -0.42 -0.32 5.36 -0.96 -5.01 117.98 118.07 2k9a s PHE 88 Ca 0.15 1.46 0.02 0.00 -0.96 0.00 0.00 56.93 57.60 2k9a s PHE 88 Cb 0.08 -3.63 0.15 0.00 -0.34 0.00 0.00 43.02 39.28 2k9a s PHE 88 CO 0.11 -2.49 0.27 1.21 -1.46 0.00 0.00 175.22 172.85 2k9a s ASN 89 N -1.27 3.01 0.66 6.13 3.04 -1.26 -4.96 114.94 120.29 2k9a s ASN 89 Ca 0.74 -2.64 0.43 0.00 0.04 0.00 0.00 52.86 51.43 2k9a s ASN 89 Cb -0.35 -0.71 2.37 0.00 -1.54 0.00 0.00 41.25 41.01 2k9a s ASN 89 CO 0.40 -0.25 2.36 -0.03 -3.04 0.00 0.00 177.10 176.54 2k9a h MET 90 N 6.52 0.00 0.46 0.43 1.85 -1.98 -1.39 114.93 120.82 2k9a h MET 90 Ca 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 2k9a h MET 90 Cb 0.93 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.96 2k9a h MET 90 CO 0.39 0.00 -0.22 0.00 -0.40 0.00 0.00 176.91 176.68 2k9a h ALA 91 N 2.00 -0.62 0.00 0.39 0.00 -2.00 -1.45 119.26 117.58 2k9a h ALA 91 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 91 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k9a h ALA 91 CO 0.00 -0.70 -0.35 0.00 0.00 0.00 0.00 179.25 178.20 2k9a h ALA 92 N -0.57 1.03 -0.29 0.00 0.00 -1.91 -2.77 119.26 114.74 2k9a h ALA 92 Ca -0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2k9a h ALA 92 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k9a h ALA 92 CO 0.10 0.44 -0.10 0.35 0.00 0.00 0.00 179.25 180.05 2k9a h PHE 93 N 0.00 0.66 -0.05 0.00 3.57 -1.23 -1.96 116.94 117.94 2k9a h PHE 93 Ca -0.00 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2k9a h PHE 93 Cb 0.84 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2k9a h PHE 93 CO 0.00 0.79 -0.01 1.79 -2.23 0.00 0.00 178.31 178.65 2k9a h THR 94 N 0.34 1.30 -0.95 4.41 1.35 -1.20 0.75 112.91 118.92 2k9a h THR 94 Ca 0.07 -0.94 0.08 0.00 -0.55 0.00 0.00 66.41 65.07 2k9a h THR 94 Cb 0.59 1.84 -0.07 0.00 -1.73 0.00 0.00 68.15 68.79 2k9a h THR 94 CO 0.03 0.25 0.61 0.74 -0.25 0.00 0.00 175.52 176.91 2k9a h THR 95 N -0.27 1.04 0.01 6.82 2.02 -1.54 -1.15 112.91 119.84 2k9a h THR 95 Ca 0.01 -0.36 -0.19 0.00 0.77 0.00 0.00 66.41 66.64 2k9a h THR 95 Cb 0.42 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2k9a h THR 95 CO 0.01 0.19 -0.87 0.74 0.37 0.00 0.00 175.52 175.96 2k9a h THR 96 N 1.05 1.54 -0.54 3.16 2.02 -1.28 -3.22 112.91 115.63 2k9a h THR 96 Ca 0.42 -2.73 -0.02 0.00 0.77 0.00 0.00 66.41 64.85 2k9a h THR 96 Cb 0.27 2.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2k9a h THR 96 CO -0.18 0.79 0.26 0.25 0.37 0.00 0.00 175.52 177.01 2k9a h LEU 97 N 0.06 0.69 -1.86 2.58 6.46 0.38 -2.13 115.31 121.49 2k9a h LEU 97 Ca -0.03 -0.06 0.18 0.00 -0.12 0.00 0.00 57.88 57.84 2k9a h LEU 97 Cb 1.51 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.24 2k9a h LEU 97 CO 0.13 0.59 0.60 1.56 -0.62 0.00 0.00 178.44 180.70 2k9a h GLN 98 N 0.76 0.00 0.03 1.25 4.20 -1.39 0.14 115.11 120.10 2k9a h GLN 98 Ca 0.19 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.08 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 2k9a h GLN 98 CO -0.03 0.00 -2.23 0.72 -0.67 0.00 0.00 178.83 176.62 2k9a n HIS 99 N -3.75 0.46 0.79 2.96 8.25 -0.84 -4.13 115.22 118.97 2k9a n HIS 99 Ca 0.12 0.12 0.07 0.00 -0.26 0.00 0.00 57.72 57.77 2k9a n HIS 99 Cb 0.83 -1.07 0.40 0.00 1.12 0.00 0.00 29.99 31.27 2k9a n HIS 99 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k9a n HIS 100 N -3.18 0.00 0.32 4.41 8.25 0.28 -2.65 115.22 122.65 2k9a n HIS 100 Ca -0.36 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.31 2k9a n HIS 100 Cb 1.05 -0.16 1.05 0.00 1.12 0.00 0.00 29.99 33.04 2k9a n HIS 100 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 1.57 -1.16 0.63 116.57 117.21 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k9a h LYS 101 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k9a h LYS 101 CO 0.00 0.01 0.00 0.22 -0.57 0.00 0.00 179.45 179.11 2k9a h ASP 102 N 0.00 0.00 0.00 0.86 3.58 -1.81 -3.38 116.42 115.67 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 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2k9a h ASP 102 CO 0.00 0.00 -0.77 -0.62 -2.88 0.00 0.00 179.24 174.97 2k9a n GLU 103 N -3.00 0.44 -0.78 0.28 1.02 0.06 -5.02 120.64 113.65 2k9a n GLU 103 Ca 0.04 0.24 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 2k9a n GLU 103 Cb 0.50 -1.34 0.22 0.00 -0.02 0.00 0.00 31.44 30.80 2k9a n GLU 103 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k9a n VAL 104 N -4.18 0.00 -2.61 2.62 0.24 -0.28 -4.92 118.33 109.20 2k9a n VAL 104 Ca -0.11 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 2k9a n VAL 104 Cb 0.40 -1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 31.60 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9a s ALA 105 N -2.86 3.05 0.46 2.33 0.00 -1.26 -4.83 121.76 118.64 2k9a s ALA 105 Ca 0.60 -0.75 0.13 0.00 0.00 0.00 0.00 51.96 51.95 2k9a s ALA 105 Cb -0.07 -3.97 1.05 0.00 0.00 0.00 0.00 23.12 20.13 2k9a s ALA 105 CO 0.47 -2.52 2.04 0.78 0.00 0.00 0.00 175.76 176.53 2k9a h GLY 106 N 11.65 0.09 1.12 0.00 0.00 -1.92 -2.42 103.07 111.60 2k9a h GLY 106 Ca -0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2k9a h GLY 106 CO 1.16 0.04 0.30 -0.55 0.00 0.00 0.00 176.54 177.49 2k9a h ASP 107 N 0.09 1.03 0.01 0.19 3.32 -1.94 0.14 116.42 119.25 2k9a h ASP 107 Ca 0.02 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2k9a h ASP 107 Cb 0.18 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2k9a h ASP 107 CO 0.01 0.91 -0.00 0.40 -1.72 0.00 0.00 179.24 178.84 2k9a h ILE 108 N 1.09 1.42 0.00 0.35 2.04 -1.86 -3.19 117.51 117.36 2k9a h ILE 108 Ca 0.25 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 2k9a h ILE 108 Cb 0.21 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2k9a h ILE 108 CO -0.02 0.34 -0.24 0.15 0.00 0.00 0.00 178.15 178.37 2k9a h PHE 109 N -0.58 0.00 -1.12 1.37 3.57 -1.46 -2.70 116.94 116.02 2k9a h PHE 109 Ca -0.00 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.56 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2k9a h PHE 109 CO 0.12 0.24 0.80 0.22 -2.23 0.00 0.00 178.31 177.46 2k9a h ASP 110 N 0.00 0.06 -0.01 0.41 1.82 -0.69 0.67 116.42 118.68 2k9a h ASP 110 Ca -0.00 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2k9a h ASP 110 Cb 0.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2k9a h ASP 110 CO 0.03 0.01 -0.02 -0.03 -1.61 0.00 0.00 179.24 177.62 2k9a h MET 111 N 0.05 0.02 0.00 0.28 4.05 -1.61 -3.12 114.93 114.60 2k9a h MET 111 Ca 0.55 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.93 2k9a h MET 111 Cb 2.08 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.88 2k9a h MET 111 CO -0.05 0.63 -0.11 -0.07 0.23 0.00 0.00 176.91 177.54 2k9a h LEU 112 N -0.58 0.00 -1.89 3.39 3.38 -0.69 -2.82 115.31 116.10 2k9a h LEU 112 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2k9a h LEU 112 CO 0.00 0.11 0.59 0.25 0.09 0.00 0.00 178.44 179.48 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.23 -0.87 115.31 122.19 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 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 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 -3.81 0.00 0.23 1.05 -2.24 -1.07 -2.32 114.28 106.13 2k9a n THR 114 Ca 0.12 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 2k9a n THR 114 Cb 0.82 -0.91 0.54 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.44 -3.38 116.94 116.95 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 0.19 0.00 0.25 -0.60 0.00 0.00 178.31 178.15 2k9a n THR 116 N -4.13 0.00 -2.30 -1.55 -2.24 -0.98 -4.99 114.28 98.08 2k9a n THR 116 Ca -0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 2k9a n THR 116 Cb 0.26 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -0.77 5.83 0.57 3.42 1.11 -0.99 -4.77 116.67 121.07 2k9a s ASP 117 Ca 0.00 -1.51 0.27 0.00 0.18 0.00 0.00 52.55 51.50 2k9a s ASP 117 Cb 0.00 -2.57 1.71 0.00 1.07 0.00 0.00 42.92 43.12 2k9a s ASP 117 CO 0.00 -2.17 2.23 0.15 1.18 0.00 0.00 175.17 176.55 2k9a h PHE 118 N 9.71 0.00 -0.72 4.23 3.57 -1.89 -1.73 116.94 130.12 2k9a h PHE 118 Ca 0.23 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 2k9a h PHE 118 Cb 0.96 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2k9a h PHE 118 CO 1.28 0.01 0.27 -0.07 -2.23 0.00 0.00 178.31 177.57 2k9a h LEU 119 N 0.00 1.00 -0.39 0.59 -0.00 -1.98 -2.04 115.31 112.49 2k9a h LEU 119 Ca -0.00 -0.18 -0.14 0.00 -0.00 0.00 0.00 57.88 57.55 2k9a h LEU 119 Cb 0.03 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.41 2k9a h LEU 119 CO 0.00 0.91 -0.68 0.00 -0.00 0.00 0.00 178.44 178.68 2k9a h ALA 120 N 1.13 0.71 0.40 1.53 0.00 -1.73 -2.51 119.26 118.79 2k9a h ALA 120 Ca 0.24 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2k9a h ALA 120 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k9a h ALA 120 CO -0.02 0.85 -0.19 0.35 0.00 0.00 0.00 179.25 180.24 2k9a h PHE 121 N 0.00 -0.50 -0.31 0.00 3.57 -1.03 0.17 116.94 118.84 2k9a h PHE 121 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 121 Cb 1.34 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 2k9a h PHE 121 CO 0.00 -0.21 0.04 -0.22 -2.23 0.00 0.00 178.31 175.68 2k9a h LYS 122 N -0.73 0.52 0.00 1.11 3.64 -1.47 -2.54 116.57 117.10 2k9a h LYS 122 Ca -0.06 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2k9a h LYS 122 Cb 0.51 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2k9a h LYS 122 CO 0.09 0.63 -0.03 1.49 -2.27 0.00 0.00 179.45 179.36 2k9a h GLU 123 N 0.33 0.00 -0.20 1.90 4.81 -1.46 -1.88 114.58 118.09 2k9a h GLU 123 Ca 0.09 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2k9a h GLU 123 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k9a h GLU 123 CO 0.01 0.03 -0.12 1.98 -0.73 0.00 0.00 179.01 180.17 2k9a h MET 124 N 0.00 0.43 -0.32 1.92 4.05 -0.54 -2.39 114.93 118.08 2k9a h MET 124 Ca -0.00 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.17 2k9a h MET 124 Cb 0.06 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 2k9a h MET 124 CO 0.00 0.74 0.00 0.74 0.23 0.00 0.00 176.91 178.63 2k9a h PHE 125 N 0.11 0.62 0.16 1.39 0.04 -1.16 -0.50 116.94 117.60 2k9a h PHE 125 Ca 0.04 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 125 Cb 0.63 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2k9a h PHE 125 CO 0.07 0.68 -0.17 -0.07 -0.60 0.00 0.00 178.31 178.22 2k9a h LEU 126 N 0.37 -0.45 -1.38 1.54 4.07 -1.40 -1.32 115.31 116.74 2k9a h LEU 126 Ca 0.09 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 2k9a h LEU 126 Cb 0.44 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2k9a h LEU 126 CO 0.02 -0.26 -0.03 -0.78 -1.08 0.00 0.00 178.44 176.31 2k9a h ASP 127 N -0.37 0.35 -0.40 -0.43 3.58 -1.43 -2.59 116.42 115.12 2k9a h ASP 127 Ca 0.00 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k9a h ASP 127 Cb 0.35 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2k9a h ASP 127 CO -0.05 0.43 0.25 0.22 -2.88 0.00 0.00 179.24 177.21 2k9a h TYR 128 N 0.36 0.53 -0.72 0.28 3.20 -0.48 -2.36 116.97 117.77 2k9a h TYR 128 Ca 0.08 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2k9a h TYR 128 Cb 0.30 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2k9a h TYR 128 CO 0.01 0.37 0.26 -0.09 -1.64 0.00 0.00 178.16 177.07 2k9a h ARG 129 N 0.53 1.10 -0.67 1.82 2.43 -0.93 -2.35 114.38 116.31 2k9a h ARG 129 Ca 0.15 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2k9a h ARG 129 Cb -0.01 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 2k9a h ARG 129 CO -0.03 0.92 0.44 0.00 -1.51 0.00 0.00 179.97 179.79 2k9a h ALA 130 N 1.13 1.71 -0.01 2.80 0.00 -1.13 -0.97 119.26 122.78 2k9a h ALA 130 Ca 0.24 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2k9a h ALA 130 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k9a h ALA 130 CO -0.01 0.19 -0.71 0.93 0.00 0.00 0.00 179.25 179.65 2k9a h GLU 131 N 0.72 0.09 -0.10 0.00 4.39 -0.98 -0.91 114.58 117.78 2k9a h GLU 131 Ca 0.28 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 2k9a h GLU 131 Cb 0.20 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k9a h GLU 131 CO -0.09 0.76 -0.11 0.87 -1.16 0.00 0.00 179.01 179.29 2k9a h LYS 132 N 0.06 0.15 -0.18 2.33 1.79 -0.68 -2.29 116.57 117.75 2k9a h LYS 132 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k9a h LYS 132 Cb 1.26 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2k9a h LYS 132 CO 0.10 0.27 0.00 0.39 -1.08 0.00 0.00 179.45 179.13 2k9a n GLU 133 N -4.33 1.70 -3.18 3.15 1.02 -1.08 -4.65 120.64 113.27 2k9a n GLU 133 Ca -0.01 -1.68 -0.18 0.00 -0.02 0.00 0.00 57.16 55.26 2k9a n GLU 133 Cb 0.23 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.80 3.51 3.94 0.62 0.00 -0.36 -5.09 105.19 108.62 2k9a n GLY 134 Ca 0.11 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2k9a n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k9a s ARG 135 N -2.31 0.60 0.00 1.61 0.52 -1.09 -4.66 118.95 113.62 2k9a s ARG 135 Ca 0.39 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2k9a s ARG 135 Cb 0.34 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.95 2k9a s ARG 135 CO -0.08 -2.43 0.00 0.41 0.02 0.00 0.00 175.30 173.22