#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 0.03 -0.05 7.83 -0.08 -1.26 -4.94 116.55 118.08 2k9a n ASP 2 Ca 0.00 0.14 -0.04 0.00 -1.51 0.00 0.00 54.79 53.37 2k9a n ASP 2 Cb 0.00 0.08 -0.14 0.00 2.34 0.00 0.00 41.12 43.40 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a n ALA 3 N -2.82 1.81 -1.95 -1.67 0.00 -1.26 -4.81 120.51 109.81 2k9a n ALA 3 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 53.44 52.22 2k9a n ALA 3 Cb 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 19.45 19.02 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 4 N -5.45 2.89 0.00 0.00 1.02 -1.26 -4.65 118.68 111.23 2k9a s LEU 4 Ca -0.08 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.27 2k9a s LEU 4 Cb 0.08 -2.72 0.00 0.00 0.02 0.00 0.00 46.19 43.57 2k9a s LEU 4 CO 0.84 -1.76 0.00 -0.62 0.02 0.00 0.00 176.35 174.83 2k9a n GLU 5 N -2.95 0.00 -0.97 1.70 -0.58 -1.26 -4.77 120.64 111.80 2k9a n GLU 5 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2k9a n GLU 5 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k9a n GLY 6 N 0.00 -1.83 2.79 0.62 0.00 -1.26 -5.09 105.19 100.41 2k9a n GLY 6 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 2k9a n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k9a s GLU 7 N -0.60 0.82 -0.00 1.61 2.12 -1.26 -4.99 118.70 116.40 2k9a s GLU 7 Ca 0.00 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.17 2k9a s GLU 7 Cb 0.00 -1.54 0.07 0.00 0.26 0.00 0.00 34.13 32.93 2k9a s GLU 7 CO 0.00 -0.42 0.98 -1.13 -0.54 0.00 0.00 175.26 174.15 2k9a n SER 8 N 5.06 0.60 -1.22 -1.70 3.41 -1.26 -5.01 113.62 113.50 2k9a n SER 8 Ca -0.09 -2.02 0.10 0.00 -0.26 0.00 0.00 58.87 56.60 2k9a n SER 8 Cb 0.49 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k9a n PHE 9 N -0.21 -2.81 -3.85 7.33 3.72 -1.26 -4.80 117.46 115.57 2k9a n PHE 9 Ca 0.03 0.89 -0.36 0.00 -0.05 0.00 0.00 57.45 57.95 2k9a n PHE 9 Cb 0.12 -1.49 -0.06 0.00 -0.94 0.00 0.00 39.48 37.11 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a s ALA 10 N -2.11 3.88 0.50 4.37 0.00 -1.26 -5.10 121.76 122.03 2k9a s ALA 10 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2k9a s ALA 10 Cb 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2k9a s ALA 10 CO 0.00 0.64 0.76 -0.51 0.00 0.00 0.00 175.76 176.65 2k9a s LEU 11 N -1.26 3.53 -0.30 0.00 1.02 -1.26 -5.06 118.68 115.35 2k9a s LEU 11 Ca 0.19 0.55 -0.18 0.00 0.02 0.00 0.00 54.13 54.70 2k9a s LEU 11 Cb -0.12 -3.42 -0.02 0.00 0.02 0.00 0.00 46.19 42.65 2k9a s LEU 11 CO 0.08 -0.78 0.54 -0.55 0.02 0.00 0.00 176.35 175.66 2k9a s SER 12 N -4.22 6.41 0.36 2.29 0.15 -1.26 -5.04 113.70 112.40 2k9a s SER 12 Ca 0.50 0.35 -0.28 0.00 0.70 0.00 0.00 55.95 57.21 2k9a s SER 12 Cb -0.10 -2.29 -0.11 0.00 -1.71 0.00 0.00 66.02 61.81 2k9a s SER 12 CO 0.41 -0.38 1.43 -0.36 1.20 0.00 0.00 173.24 175.54 2k9a s PHE 13 N 2.40 2.74 0.97 3.44 0.40 -1.26 -4.98 117.98 121.69 2k9a s PHE 13 Ca 0.21 1.25 -0.12 0.00 -0.60 0.00 0.00 56.93 57.67 2k9a s PHE 13 Cb -0.15 -3.91 0.17 0.00 0.51 0.00 0.00 43.02 39.64 2k9a s PHE 13 CO 0.11 -2.63 1.09 -1.12 0.70 0.00 0.00 175.22 173.37 2k9a s SER 14 N -0.25 2.69 0.00 1.36 0.01 -1.26 -4.98 113.70 111.26 2k9a s SER 14 Ca 0.52 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2k9a s SER 14 Cb -0.44 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2k9a s SER 14 CO 0.60 -3.16 0.00 -1.54 0.41 0.00 0.00 173.24 169.55 2k9a n SER 15 N -4.23 0.00 0.17 2.44 3.41 -1.26 -4.64 113.62 109.51 2k9a n SER 15 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 2k9a n SER 15 Cb 0.54 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.43 -0.22 7.33 0.00 -1.96 -0.85 119.26 123.13 2k9a h ALA 16 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 16 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k9a h ALA 16 CO 0.00 -0.62 0.00 0.45 0.00 0.00 0.00 179.25 179.08 2k9a n SER 17 N -5.17 2.35 -4.99 0.00 2.88 -1.26 -4.55 113.62 102.88 2k9a n SER 17 Ca -0.10 -1.82 -0.19 0.00 -1.33 0.00 0.00 58.87 55.43 2k9a n SER 17 Cb 0.25 -0.14 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k9a s ASP 18 N -1.60 5.65 0.63 -3.46 2.15 -1.17 -4.97 116.67 113.90 2k9a s ASP 18 Ca 0.34 -0.18 0.31 0.00 0.43 0.00 0.00 52.55 53.45 2k9a s ASP 18 Cb 0.20 -0.94 1.68 0.00 -0.30 0.00 0.00 42.92 43.56 2k9a s ASP 18 CO 0.29 -0.78 2.00 0.00 -0.17 0.00 0.00 175.17 176.50 2k9a h ALA 19 N 0.52 1.59 -0.44 3.66 0.00 -1.89 -2.11 119.26 120.58 2k9a h ALA 19 Ca -0.42 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k9a h ALA 19 Cb 1.28 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2k9a h ALA 19 CO 0.50 -0.38 0.13 1.49 0.00 0.00 0.00 179.25 180.99 2k9a h GLU 20 N 0.00 0.27 -0.53 0.00 4.57 -1.88 -1.62 114.58 115.40 2k9a h GLU 20 Ca 0.07 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2k9a h GLU 20 Cb 0.68 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2k9a h GLU 20 CO -0.00 0.18 0.33 0.35 -1.18 0.00 0.00 179.01 178.69 2k9a h PHE 21 N 0.28 0.62 -0.82 0.92 3.04 -0.42 -2.30 116.94 118.25 2k9a h PHE 21 Ca 0.21 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.25 2k9a h PHE 21 Cb 0.24 -0.20 -0.06 0.00 2.56 0.00 0.00 35.95 38.48 2k9a h PHE 21 CO -0.18 0.37 0.49 -0.44 -2.02 0.00 0.00 178.31 176.53 2k9a h ASP 22 N 0.66 0.76 -0.60 0.41 3.32 -1.49 -1.69 116.42 117.79 2k9a h ASP 22 Ca 0.21 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2k9a h ASP 22 Cb -0.02 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2k9a h ASP 22 CO -0.08 0.47 0.34 0.00 -1.72 0.00 0.00 179.24 178.26 2k9a h ALA 23 N 1.41 0.78 -0.87 3.45 0.00 -0.77 -2.01 119.26 121.25 2k9a h ALA 23 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2k9a h ALA 23 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2k9a h ALA 23 CO -0.19 0.04 0.56 0.28 0.00 0.00 0.00 179.25 179.94 2k9a h VAL 24 N 0.66 1.23 -0.91 0.00 2.07 -0.98 -2.17 116.25 116.16 2k9a h VAL 24 Ca 0.25 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2k9a h VAL 24 Cb 0.10 -0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 2k9a h VAL 24 CO -0.14 0.23 0.56 0.58 0.02 0.00 0.00 177.57 178.82 2k9a h VAL 25 N 1.19 1.01 -0.50 2.57 2.07 -0.69 -0.90 116.25 121.00 2k9a h VAL 25 Ca 0.32 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2k9a h VAL 25 Cb -0.10 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.58 2k9a h VAL 25 CO -0.07 0.18 0.25 1.23 0.02 0.00 0.00 177.57 179.18 2k9a h GLY 26 N 0.99 0.76 1.02 2.17 0.00 -0.98 -2.56 103.07 104.47 2k9a h GLY 26 Ca 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2k9a h GLY 26 CO -0.20 0.35 0.50 -0.97 0.00 0.00 0.00 176.54 176.22 2k9a h TYR 27 N 0.66 1.17 -0.73 5.60 0.05 -1.01 -2.47 116.97 120.24 2k9a h TYR 27 Ca 0.17 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.00 2k9a h TYR 27 Cb 0.10 -0.38 -0.06 0.00 1.01 0.00 0.00 36.73 37.40 2k9a h TYR 27 CO -0.01 0.80 0.42 -0.07 -1.05 0.00 0.00 178.16 178.25 2k9a h LEU 28 N 1.20 0.63 -0.39 3.88 3.38 -0.86 -1.92 115.31 121.23 2k9a h LEU 28 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2k9a h LEU 28 Cb -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2k9a h LEU 28 CO -0.05 0.40 0.26 -0.33 0.09 0.00 0.00 178.44 178.80 2k9a h GLU 29 N 0.76 0.51 -0.44 1.13 5.08 -1.06 -1.67 114.58 118.89 2k9a h GLU 29 Ca 0.33 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 2k9a h GLU 29 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2k9a h GLU 29 CO -0.19 0.34 0.30 0.22 -1.00 0.00 0.00 179.01 178.67 2k9a h ASP 30 N 0.52 0.30 -0.24 1.42 1.82 -1.09 -1.86 116.42 117.29 2k9a h ASP 30 Ca 0.14 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.72 2k9a h ASP 30 Cb -0.06 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2k9a h ASP 30 CO -0.03 0.19 -0.08 0.40 -1.61 0.00 0.00 179.24 178.11 2k9a h ILE 31 N 0.34 1.29 -0.95 2.25 2.04 -0.59 -0.15 117.51 121.73 2k9a h ILE 31 Ca 0.19 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 65.01 2k9a h ILE 31 Cb 0.33 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2k9a h ILE 31 CO -0.04 0.35 0.62 0.40 0.00 0.00 0.00 178.15 179.47 2k9a h ILE 32 N 0.21 1.05 -0.57 -0.67 2.04 -0.76 -0.58 117.51 118.23 2k9a h ILE 32 Ca 0.06 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2k9a h ILE 32 Cb 0.56 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2k9a h ILE 32 CO 0.03 0.20 0.00 0.23 0.00 0.00 0.00 178.15 178.60 2k9a n MET 33 N -4.51 2.42 -2.41 2.37 2.81 -1.00 -4.74 117.12 112.06 2k9a n MET 33 Ca 0.15 -2.19 -0.41 0.00 -1.81 0.00 0.00 57.70 53.43 2k9a n MET 33 Cb 0.22 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.09 7.12 0.12 7.83 -1.08 -0.08 -4.95 116.67 124.54 2k9a s ASP 34 Ca 0.41 2.17 -0.24 0.00 -0.52 0.00 0.00 52.55 54.36 2k9a s ASP 34 Cb 0.22 -2.60 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 2k9a s ASP 34 CO 0.29 -0.36 1.66 -0.78 0.52 0.00 0.00 175.17 176.50 2k9a h ASP 35 N 5.51 -0.52 -0.18 -0.34 3.58 -1.88 -0.55 116.42 122.04 2k9a h ASP 35 Ca -0.44 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.14 2k9a h ASP 35 Cb 1.21 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 2k9a h ASP 35 CO 0.75 -0.24 0.15 -0.33 -2.88 0.00 0.00 179.24 176.69 2k9a h GLU 36 N -0.29 0.00 0.05 0.28 5.08 -1.94 -0.82 114.58 116.94 2k9a h GLU 36 Ca 0.06 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 2k9a h GLU 36 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k9a h GLU 36 CO -0.17 0.00 -1.03 0.35 -1.00 0.00 0.00 179.01 177.16 2k9a h PHE 37 N 0.00 0.42 -0.15 4.33 3.57 -1.49 -2.12 116.94 121.49 2k9a h PHE 37 Ca 0.09 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 2k9a h PHE 37 Cb 0.39 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2k9a h PHE 37 CO 0.00 1.13 -0.04 1.96 -2.23 0.00 0.00 178.31 179.12 2k9a h GLN 38 N 0.12 0.30 -0.19 1.11 4.20 0.28 -0.71 115.11 120.23 2k9a h GLN 38 Ca -0.08 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 2k9a h GLN 38 Cb 1.71 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 2k9a h GLN 38 CO 0.17 0.59 -0.11 1.25 -0.67 0.00 0.00 178.83 180.06 2k9a h LEU 39 N -0.00 0.42 -0.87 1.46 5.85 -1.50 -2.30 115.31 118.36 2k9a h LEU 39 Ca 0.04 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2k9a h LEU 39 Cb 0.48 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2k9a h LEU 39 CO 0.02 0.76 0.51 0.25 -0.34 0.00 0.00 178.44 179.63 2k9a h LEU 40 N 0.09 1.07 -0.06 2.25 5.85 -1.42 0.12 115.31 123.21 2k9a h LEU 40 Ca 0.04 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k9a h LEU 40 Cb 0.60 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k9a h LEU 40 CO 0.03 0.84 0.01 -0.61 -0.34 0.00 0.00 178.44 178.37 2k9a h GLN 41 N 1.21 0.10 -0.10 1.25 4.15 -1.10 -2.19 115.11 118.43 2k9a h GLN 41 Ca 0.31 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.60 2k9a h GLN 41 Cb -0.02 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2k9a h GLN 41 CO -0.05 0.34 -0.41 -0.09 -1.93 0.00 0.00 178.83 176.69 2k9a h ARG 42 N -0.15 0.23 -0.25 1.69 2.43 -1.28 -1.18 114.38 115.87 2k9a h ARG 42 Ca 0.02 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2k9a h ARG 42 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2k9a h ARG 42 CO 0.00 0.61 0.06 -0.97 -1.51 0.00 0.00 179.97 178.16 2k9a h ASN 43 N 0.19 0.38 -0.08 -3.80 -0.73 -0.65 -0.61 115.58 110.28 2k9a h ASN 43 Ca 0.02 -0.23 -0.24 0.00 1.87 0.00 0.00 56.30 57.71 2k9a h ASN 43 Cb 0.81 -0.10 0.02 0.00 0.27 0.00 0.00 38.32 39.32 2k9a h ASN 43 CO 0.06 0.51 -0.90 2.19 -0.37 0.00 0.00 177.43 178.92 2k9a h PHE 44 N 0.24 1.06 0.00 0.67 -5.15 -1.35 -3.15 116.94 109.26 2k9a h PHE 44 Ca 0.08 -0.52 -0.03 0.00 -0.20 0.00 0.00 57.97 57.29 2k9a h PHE 44 Cb 0.28 -0.14 -0.00 0.00 0.22 0.00 0.00 35.95 36.30 2k9a h PHE 44 CO 0.01 1.36 -0.16 0.00 -2.00 0.00 0.00 178.31 177.52 2k9a h MET 45 N 0.46 0.00 -0.08 6.09 -0.00 -1.20 -1.70 114.93 118.52 2k9a h MET 45 Ca -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.57 2k9a h MET 45 Cb 1.55 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.14 2k9a h MET 45 CO 0.18 0.16 -0.13 0.22 -0.00 0.00 0.00 176.91 177.34 2k9a h ASP 46 N 0.00 0.11 0.07 -0.10 1.82 -1.06 -1.12 116.42 116.14 2k9a h ASP 46 Ca -0.00 -0.02 -0.37 0.00 -0.39 0.00 0.00 57.03 56.25 2k9a h ASP 46 Cb 0.45 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.39 2k9a h ASP 46 CO 0.02 0.25 -2.12 1.17 -1.61 0.00 0.00 179.24 176.96 2k9a n LYS 47 N -4.32 0.70 0.03 0.28 0.00 -0.91 -4.21 118.16 109.73 2k9a n LYS 47 Ca -0.02 0.25 -0.12 0.00 0.00 0.00 0.00 58.31 58.43 2k9a n LYS 47 Cb 0.24 -1.64 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 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 -0.08 0.02 0.00 5.64 -1.99 -1.27 -1.74 116.97 117.55 2k9a h TYR 48 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 1.92 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.64 2k9a h TYR 48 CO 0.06 0.01 0.04 0.10 -0.00 0.00 0.00 178.16 178.37 2k9a h TYR 49 N 0.03 0.00 0.03 4.88 -0.00 -1.42 -0.07 116.97 120.42 2k9a h TYR 49 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.68 2k9a h TYR 49 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2k9a h TYR 49 CO -0.08 0.00 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.69 2k9a h LEU 50 N 0.00 0.09 -0.81 0.10 3.38 -1.50 -3.35 115.31 113.23 2k9a h LEU 50 Ca 0.00 -0.94 -0.12 0.00 0.09 0.00 0.00 57.88 56.92 2k9a h LEU 50 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k9a h LEU 50 CO 0.00 1.14 -0.37 -0.33 0.09 0.00 0.00 178.44 178.97 2k9a h GLU 51 N -0.87 0.46 -5.95 1.13 4.39 -1.05 -3.37 114.58 109.31 2k9a h GLU 51 Ca -0.07 -0.21 -0.59 0.00 0.34 0.00 0.00 59.36 58.82 2k9a h GLU 51 Cb 1.16 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.72 2k9a h GLU 51 CO 0.00 0.76 1.68 -0.06 -1.16 0.00 0.00 179.01 180.24 2k9a s PHE 52 N -4.27 2.54 -0.01 4.33 0.40 -0.11 -4.96 117.98 115.89 2k9a s PHE 52 Ca -0.06 -0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 55.31 2k9a s PHE 52 Cb 0.13 -4.63 -0.04 0.00 0.51 0.00 0.00 43.02 38.99 2k9a s PHE 52 CO 0.80 -1.83 0.09 -1.83 0.70 0.00 0.00 175.22 173.15 2k9a s GLU 53 N 4.93 3.11 -0.76 0.44 -1.05 -1.26 -4.78 118.70 119.33 2k9a s GLU 53 Ca 0.52 -0.46 -0.25 0.00 -0.15 0.00 0.00 54.97 54.62 2k9a s GLU 53 Cb 0.01 -2.89 -0.07 0.00 -0.44 0.00 0.00 34.13 30.75 2k9a s GLU 53 CO -0.01 0.65 2.10 0.34 0.95 0.00 0.00 175.26 179.30 2k9a s ASP 54 N -1.73 4.76 0.32 0.83 2.15 -1.26 -4.86 116.67 116.88 2k9a s ASP 54 Ca 0.23 -0.06 0.03 0.00 0.43 0.00 0.00 52.55 53.18 2k9a s ASP 54 Cb -0.12 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2k9a s ASP 54 CO 0.14 -2.98 0.36 0.35 -0.17 0.00 0.00 175.17 172.87 2k9a n THR 55 N 7.99 0.00 0.08 1.71 -2.24 -1.26 -5.06 114.28 115.50 2k9a n THR 55 Ca 0.37 -2.01 0.03 0.00 -2.27 0.00 0.00 64.05 60.17 2k9a n THR 55 Cb 0.48 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.87 2k9a n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a n GLU 56 N -0.57 1.48 -3.46 -0.78 1.02 -1.26 -5.01 120.64 112.05 2k9a n GLU 56 Ca 0.04 -1.37 -0.36 0.00 -0.02 0.00 0.00 57.16 55.45 2k9a n GLU 56 Cb 0.56 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k9a s GLU 57 N -0.78 3.90 -0.29 3.49 2.12 -1.26 -5.07 118.70 120.82 2k9a s GLU 57 Ca 0.11 0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.85 2k9a s GLU 57 Cb 0.06 -3.06 0.07 0.00 0.26 0.00 0.00 34.13 31.47 2k9a s GLU 57 CO 0.09 0.58 -0.05 1.21 -0.54 0.00 0.00 175.26 176.54 2k9a s ASN 58 N -1.51 4.59 0.39 -1.70 3.04 -1.26 -5.11 114.94 113.37 2k9a s ASN 58 Ca 0.32 -1.60 0.03 0.00 0.04 0.00 0.00 52.86 51.64 2k9a s ASN 58 Cb -0.15 -1.59 -0.01 0.00 -1.54 0.00 0.00 41.25 37.95 2k9a s ASN 58 CO 0.17 -0.25 0.57 -0.54 -3.04 0.00 0.00 177.10 174.01 2k9a s LYS 59 N 1.06 3.17 0.00 0.43 1.02 -1.26 -4.99 119.74 119.16 2k9a s LYS 59 Ca -0.03 -0.64 0.29 0.00 0.02 0.00 0.00 55.97 55.61 2k9a s LYS 59 Cb -0.20 -2.67 1.31 0.00 -0.52 0.00 0.00 37.83 35.74 2k9a s LYS 59 CO -0.05 -0.06 1.96 1.28 -0.92 0.00 0.00 175.35 177.55 2k9a n LEU 60 N -1.86 0.01 0.31 3.17 4.32 -1.26 -3.38 117.00 118.32 2k9a n LEU 60 Ca -0.01 0.43 0.20 0.00 -0.02 0.00 0.00 56.01 56.62 2k9a n LEU 60 Cb 0.58 -0.43 1.00 0.00 -1.62 0.00 0.00 43.42 42.94 2k9a n LEU 60 CO 0.46 0.00 1.11 -0.29 -1.22 0.00 0.00 177.39 177.45 2k9a h ILE 61 N 0.01 0.04 0.00 -0.08 6.09 -2.03 -1.46 117.51 120.08 2k9a h ILE 61 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2k9a h ILE 61 Cb 0.44 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2k9a h ILE 61 CO 0.00 0.01 0.00 1.88 -3.07 0.00 0.00 178.15 176.97 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 -1.99 -1.98 -2.83 116.97 112.44 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 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2k9a h TYR 62 CO 0.00 0.00 -0.04 1.15 -0.00 0.00 0.00 178.16 179.27 2k9a h THR 63 N 0.00 1.05 -0.59 -2.88 2.02 -1.53 -2.19 112.91 108.79 2k9a h THR 63 Ca 0.00 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.70 2k9a h THR 63 Cb 0.43 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 2k9a h THR 63 CO 0.00 0.30 0.13 1.55 0.37 0.00 0.00 175.52 177.88 2k9a h PRO 64 N -0.87 0.93 -0.49 6.66 0.13 -1.71 -2.46 132.00 134.18 2k9a h PRO 64 Ca -0.01 -0.20 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 2k9a h PRO 64 Cb 0.58 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 2k9a h PRO 64 CO 0.02 0.83 0.10 0.82 -0.23 0.00 0.00 178.00 179.54 2k9a h ILE 65 N 0.89 1.22 -0.05 -3.56 2.04 -1.60 -1.80 117.51 114.64 2k9a h ILE 65 Ca 0.19 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2k9a h ILE 65 Cb 0.33 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2k9a h ILE 65 CO 0.00 0.29 0.02 0.15 0.00 0.00 0.00 178.15 178.62 2k9a h PHE 66 N 0.73 0.07 0.00 1.37 3.57 -0.93 -2.24 116.94 119.50 2k9a h PHE 66 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2k9a h PHE 66 Cb 0.30 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k9a h PHE 66 CO 0.02 0.15 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.20 2k9a h ASN 67 N -0.03 0.00 -0.62 0.41 2.35 -1.29 -2.26 115.58 114.14 2k9a h ASN 67 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2k9a h ASN 67 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2k9a h ASN 67 CO -0.00 0.13 0.13 -0.08 -1.65 0.00 0.00 177.43 175.96 2k9a h GLU 68 N 0.00 1.00 -0.38 0.81 4.57 -0.76 0.91 114.58 120.74 2k9a h GLU 68 Ca -0.00 -0.25 -0.14 0.00 -1.18 0.00 0.00 59.36 57.79 2k9a h GLU 68 Cb 0.27 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2k9a h GLU 68 CO 0.02 0.92 -0.31 -0.92 -1.18 0.00 0.00 179.01 177.54 2k9a h TYR 69 N 0.91 0.98 0.00 0.92 3.20 -0.96 0.16 116.97 122.18 2k9a h TYR 69 Ca 0.19 -0.26 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 2k9a h TYR 69 Cb 0.39 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2k9a h TYR 69 CO 0.03 1.04 -0.60 0.82 -1.64 0.00 0.00 178.16 177.80 2k9a h ILE 70 N 0.71 1.32 0.00 1.81 1.08 -1.27 -1.01 117.51 120.15 2k9a h ILE 70 Ca 0.08 -2.15 -0.23 0.00 -0.39 0.00 0.00 64.86 62.17 2k9a h ILE 70 Cb 0.86 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 2k9a h ILE 70 CO 0.08 0.59 -1.48 0.28 -0.69 0.00 0.00 178.15 176.93 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -0.68 -2.90 113.55 111.71 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 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2k9a h SER 71 CO 0.08 0.82 -0.36 -0.11 -1.14 0.00 0.00 176.83 176.13 2k9a n LEU 72 N -3.02 1.28 0.13 5.07 -0.00 0.53 -4.16 117.00 116.83 2k9a n LEU 72 Ca -0.12 0.53 -0.06 0.00 -0.00 0.00 0.00 56.01 56.36 2k9a n LEU 72 Cb 0.95 -0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 43.58 2k9a n LEU 72 CO 0.44 -0.48 0.18 0.58 -0.00 0.00 0.00 177.39 178.10 2k9a h VAL 73 N -0.71 0.00 -0.66 1.96 2.07 -1.38 -2.38 116.25 115.15 2k9a h VAL 73 Ca 0.00 -0.58 0.12 0.00 0.82 0.00 0.00 66.70 67.06 2k9a h VAL 73 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 73 CO 0.00 0.00 0.23 -0.08 0.02 0.00 0.00 177.57 177.74 2k9a h GLU 74 N -0.97 0.37 -0.46 1.57 4.81 -1.57 -0.81 114.58 117.52 2k9a h GLU 74 Ca -0.04 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2k9a h GLU 74 Cb 0.30 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2k9a h GLU 74 CO 0.07 0.25 -0.06 0.87 -0.73 0.00 0.00 179.01 179.40 2k9a h LYS 75 N 0.38 0.80 -0.43 1.92 1.57 -1.64 -2.75 116.57 116.43 2k9a h LYS 75 Ca 0.35 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2k9a h LYS 75 Cb 0.49 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 2k9a h LYS 75 CO -0.37 0.85 0.15 -0.92 -0.57 0.00 0.00 179.45 178.59 2k9a h TYR 76 N 0.73 0.27 0.14 -1.35 5.03 -0.61 0.74 116.97 121.93 2k9a h TYR 76 Ca 0.13 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 2k9a h TYR 76 Cb 0.54 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.76 2k9a h TYR 76 CO 0.03 0.10 -0.07 0.82 -1.32 0.00 0.00 178.16 177.72 2k9a h ILE 77 N 0.32 0.94 -0.27 1.81 2.04 -1.31 -1.33 117.51 119.72 2k9a h ILE 77 Ca 0.20 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2k9a h ILE 77 Cb 0.19 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2k9a h ILE 77 CO -0.20 0.07 0.12 -0.08 0.00 0.00 0.00 178.15 178.06 2k9a h GLU 78 N -0.32 0.25 0.57 2.37 4.81 -1.27 -1.54 114.58 119.45 2k9a h GLU 78 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2k9a h GLU 78 Cb 0.26 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 78 CO 0.03 0.17 -0.27 0.93 -0.73 0.00 0.00 179.01 179.14 2k9a h GLU 79 N 0.26 -0.73 -0.17 1.92 5.08 -0.83 -1.47 114.58 118.64 2k9a h GLU 79 Ca 0.11 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2k9a h GLU 79 Cb 0.05 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k9a h GLU 79 CO -0.09 -0.45 0.15 -0.56 -1.00 0.00 0.00 179.01 177.05 2k9a h GLN 80 N -0.85 0.00 -0.17 2.33 -0.00 -1.22 -0.90 115.11 114.30 2k9a h GLN 80 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.45 2k9a h GLN 80 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.10 2k9a h GLN 80 CO 0.13 0.00 -0.38 -0.07 -0.00 0.00 0.00 178.83 178.50 2k9a h LEU 81 N 0.00 0.63 -2.05 0.06 3.38 -0.97 -3.07 115.31 113.28 2k9a h LEU 81 Ca 0.08 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2k9a h LEU 81 Cb 0.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k9a h LEU 81 CO -0.00 1.08 -0.08 -0.07 0.09 0.00 0.00 178.44 179.46 2k9a h LEU 82 N 0.20 0.00 -2.54 1.67 3.38 -0.11 -1.04 115.31 116.87 2k9a h LEU 82 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k9a h LEU 82 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k9a h LEU 82 CO 0.08 0.08 0.12 1.56 0.09 0.00 0.00 178.44 180.37 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.28 -2.65 115.11 113.39 2k9a h GLN 83 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k9a h GLN 83 Cb 0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2k9a h GLN 83 CO 0.01 0.00 -1.02 0.54 -0.95 0.00 0.00 178.83 177.41 2k9a n ARG 84 N -3.28 1.28 -3.66 1.46 1.74 -0.84 -4.92 116.66 108.43 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 0.20 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.02 1.08 -1.95 0.55 1.01 -0.45 -4.96 121.20 114.46 2k9a s ILE 85 Ca -0.00 -2.25 0.20 0.00 0.00 0.00 0.00 60.65 58.60 2k9a s ILE 85 Cb 0.00 -1.76 0.54 0.00 0.01 0.00 0.00 42.46 41.25 2k9a s ILE 85 CO 0.02 -0.89 1.57 -0.81 0.00 0.00 0.00 174.94 174.83 2k9a n PRO 86 N 3.79 0.59 -0.21 2.79 -0.04 -1.18 -2.15 135.00 138.59 2k9a n PRO 86 Ca 0.08 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2k9a n PRO 86 Cb 0.36 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 2k9a n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k9a n GLU 87 N -1.03 2.81 -2.58 0.54 0.28 -1.26 -5.02 120.64 114.38 2k9a n GLU 87 Ca 0.14 -2.19 -0.39 0.00 -0.16 0.00 0.00 57.16 54.56 2k9a n GLU 87 Cb 0.08 -1.38 -0.05 0.00 1.43 0.00 0.00 31.44 31.51 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2k9a s PHE 88 N -1.57 3.65 -0.43 -1.84 5.36 -0.91 -5.03 117.98 117.21 2k9a s PHE 88 Ca 0.25 1.76 0.02 0.00 -0.96 0.00 0.00 56.93 58.00 2k9a s PHE 88 Cb 0.17 -3.16 0.12 0.00 -0.34 0.00 0.00 43.02 39.81 2k9a s PHE 88 CO 0.11 -0.24 0.20 -0.80 -1.46 0.00 0.00 175.22 173.03 2k9a s ASN 89 N -1.11 4.04 0.48 6.13 -0.87 -1.26 -4.95 114.94 117.40 2k9a s ASN 89 Ca 0.46 -2.54 0.32 0.00 -1.57 0.00 0.00 52.86 49.54 2k9a s ASN 89 Cb -0.28 -1.26 1.53 0.00 -0.02 0.00 0.00 41.25 41.21 2k9a s ASN 89 CO 0.36 -0.29 1.97 -0.03 -2.57 0.00 0.00 177.10 176.53 2k9a h MET 90 N 6.97 0.00 0.45 -0.60 4.05 -1.97 -1.30 114.93 122.54 2k9a h MET 90 Ca -0.05 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2k9a h MET 90 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2k9a h MET 90 CO 0.54 0.00 -0.22 0.00 0.23 0.00 0.00 176.91 177.47 2k9a h ALA 91 N 2.06 -0.61 0.00 0.39 0.00 -2.00 -1.90 119.26 117.20 2k9a h ALA 91 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 91 Cb 0.26 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k9a h ALA 91 CO 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 179.25 178.25 2k9a h ALA 92 N -0.83 0.98 -0.13 0.00 0.00 -1.97 -2.76 119.26 114.55 2k9a h ALA 92 Ca -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2k9a h ALA 92 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k9a h ALA 92 CO 0.10 0.48 -0.03 0.35 0.00 0.00 0.00 179.25 180.15 2k9a h PHE 93 N 0.00 0.28 -0.37 0.00 3.57 -1.27 -2.20 116.94 116.95 2k9a h PHE 93 Ca -0.00 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 2k9a h PHE 93 Cb 0.92 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2k9a h PHE 93 CO 0.00 0.54 -0.05 1.79 -2.23 0.00 0.00 178.31 178.36 2k9a h THR 94 N -0.05 1.27 -0.76 4.41 1.35 -1.34 -0.20 112.91 117.58 2k9a h THR 94 Ca 0.03 -1.09 0.06 0.00 -0.55 0.00 0.00 66.41 64.86 2k9a h THR 94 Cb 0.44 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 68.04 2k9a h THR 94 CO 0.01 0.36 0.46 0.71 -0.25 0.00 0.00 175.52 176.81 2k9a h THR 95 N 0.49 1.01 0.00 6.82 1.35 -1.50 -1.68 112.91 119.40 2k9a h THR 95 Ca 0.10 -0.29 -0.16 0.00 -0.55 0.00 0.00 66.41 65.51 2k9a h THR 95 Cb 0.54 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2k9a h THR 95 CO 0.03 0.15 -0.76 0.74 -0.25 0.00 0.00 175.52 175.43 2k9a h THR 96 N 0.83 1.48 -0.43 6.82 2.02 -1.30 -3.26 112.91 119.07 2k9a h THR 96 Ca 0.34 -2.67 -0.05 0.00 0.77 0.00 0.00 66.41 64.80 2k9a h THR 96 Cb 0.17 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2k9a h THR 96 CO -0.17 0.75 0.04 0.25 0.37 0.00 0.00 175.52 176.75 2k9a h LEU 97 N 0.00 0.63 -1.18 2.58 6.46 -0.12 0.17 115.31 123.84 2k9a h LEU 97 Ca -0.01 -0.12 0.22 0.00 -0.12 0.00 0.00 57.88 57.86 2k9a h LEU 97 Cb 1.40 -0.16 -0.10 0.00 -0.73 0.00 0.00 40.66 41.07 2k9a h LEU 97 CO 0.10 0.67 0.62 0.06 -0.62 0.00 0.00 178.44 179.27 2k9a h GLN 98 N 0.64 0.56 0.00 1.25 3.07 -1.46 0.23 115.11 119.40 2k9a h GLN 98 Ca 0.14 -0.03 -0.16 0.00 0.09 0.00 0.00 58.65 58.68 2k9a h GLN 98 Cb 0.34 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2k9a h GLN 98 CO 0.01 0.37 -2.00 -2.39 0.09 0.00 0.00 178.83 174.91 2k9a n HIS 99 N -4.71 0.00 0.77 0.06 1.44 -1.13 -4.25 115.22 107.39 2k9a n HIS 99 Ca 0.24 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.04 2k9a n HIS 99 Cb 0.71 -0.64 0.42 0.00 0.12 0.00 0.00 29.99 30.61 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.39 0.00 0.31 -1.40 -0.00 0.03 -2.60 115.22 109.17 2k9a n HIS 100 Ca -0.16 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.21 2k9a n HIS 100 Cb 0.78 -0.34 0.93 0.00 -0.12 0.00 0.00 29.99 31.24 2k9a n HIS 100 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 2.10 -1.15 -1.19 116.57 117.89 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k9a h LYS 101 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2k9a n ASP 102 N -3.02 0.00 -0.09 7.07 9.92 -1.07 -3.54 116.55 125.81 2k9a n ASP 102 Ca -0.01 0.34 -0.16 0.00 -0.53 0.00 0.00 54.79 54.43 2k9a n ASP 102 Cb 0.18 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k9a n GLU 103 N -1.43 0.46 -0.30 -1.24 -0.58 -0.46 -5.03 120.64 112.06 2k9a n GLU 103 Ca 0.06 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.93 2k9a n GLU 103 Cb 0.19 -1.29 0.05 0.00 -0.57 0.00 0.00 31.44 29.81 2k9a n GLU 103 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2k9a n VAL 104 N -4.15 0.00 -2.56 2.62 0.24 -1.15 -4.94 118.33 108.39 2k9a n VAL 104 Ca -0.29 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 2k9a n VAL 104 Cb 0.63 -1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 31.51 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 -3.50 3.03 0.50 2.33 0.00 -1.26 -4.88 121.76 117.98 2k9a s ALA 105 Ca 0.15 -0.66 0.15 0.00 0.00 0.00 0.00 51.96 51.59 2k9a s ALA 105 Cb -0.01 -4.00 1.20 0.00 0.00 0.00 0.00 23.12 20.32 2k9a s ALA 105 CO 0.11 -2.55 2.13 0.78 0.00 0.00 0.00 175.76 176.23 2k9a h GLY 106 N 11.83 0.08 1.53 0.00 0.00 -1.93 -1.76 103.07 112.83 2k9a h GLY 106 Ca -0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2k9a h GLY 106 CO 1.16 0.03 -0.03 -0.55 0.00 0.00 0.00 176.54 177.15 2k9a h ASP 107 N 0.08 0.55 0.01 0.19 3.32 -1.94 0.81 116.42 119.43 2k9a h ASP 107 Ca 0.02 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2k9a h ASP 107 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2k9a h ASP 107 CO -0.00 0.64 -0.00 0.40 -1.72 0.00 0.00 179.24 178.56 2k9a h ILE 108 N 0.55 1.47 0.00 0.35 2.04 -1.73 -3.21 117.51 116.98 2k9a h ILE 108 Ca 0.11 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.49 2k9a h ILE 108 Cb 0.40 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2k9a h ILE 108 CO 0.02 0.37 -0.27 0.15 0.00 0.00 0.00 178.15 178.41 2k9a h PHE 109 N -0.62 0.00 -0.92 1.37 3.57 -1.44 -2.72 116.94 116.18 2k9a h PHE 109 Ca -0.00 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.76 2k9a h PHE 109 Cb 0.61 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2k9a h PHE 109 CO 0.14 0.27 0.80 0.22 -2.23 0.00 0.00 178.31 177.50 2k9a h ASP 110 N 0.00 0.00 0.10 0.41 1.82 -0.83 0.44 116.42 118.36 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2k9a h ASP 110 CO 0.03 0.00 -0.05 -0.03 -1.61 0.00 0.00 179.24 177.59 2k9a h MET 111 N 0.00 -0.13 0.00 0.28 4.05 -1.62 -3.19 114.93 114.33 2k9a h MET 111 Ca 0.43 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.84 2k9a h MET 111 Cb 2.02 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.85 2k9a h MET 111 CO -0.00 0.38 -0.11 -0.07 0.23 0.00 0.00 176.91 177.34 2k9a h LEU 112 N -0.75 0.00 -1.88 3.39 4.07 -0.76 -2.80 115.31 116.57 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.56 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2k9a h LEU 112 CO 0.02 0.11 0.63 0.25 -1.08 0.00 0.00 178.44 178.36 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.28 0.12 115.31 122.68 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 0.00 178.44 178.47 2k9a n THR 114 N -3.85 0.14 0.26 1.05 -2.24 -1.06 -2.14 114.28 106.44 2k9a n THR 114 Ca 0.14 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 2k9a n THR 114 Cb 0.88 -1.04 0.69 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.02 -3.36 116.94 117.38 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 0.13 -0.19 -2.37 -0.60 0.00 0.00 178.31 175.28 2k9a n THR 116 N -3.76 0.00 -2.37 -1.55 5.66 -0.91 -4.97 114.28 106.39 2k9a n THR 116 Ca -0.02 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.61 2k9a n THR 116 Cb 0.24 -0.17 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N -1.31 6.08 0.53 1.09 2.15 -0.99 -4.76 116.67 119.45 2k9a s ASP 117 Ca 0.00 -1.88 0.21 0.00 0.43 0.00 0.00 52.55 51.31 2k9a s ASP 117 Cb 0.00 -2.58 1.35 0.00 -0.30 0.00 0.00 42.92 41.39 2k9a s ASP 117 CO 0.00 -1.95 2.09 0.15 -0.17 0.00 0.00 175.17 175.28 2k9a h PHE 118 N 8.95 0.00 -0.71 -5.34 3.04 -1.90 -1.52 116.94 119.46 2k9a h PHE 118 Ca 0.30 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 2k9a h PHE 118 Cb 0.93 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 2k9a h PHE 118 CO 1.32 0.00 0.39 1.25 -2.02 0.00 0.00 178.31 179.25 2k9a h LEU 119 N 0.00 0.88 -0.42 0.59 5.85 -1.97 -1.70 115.31 118.54 2k9a h LEU 119 Ca 0.11 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2k9a h LEU 119 Cb 0.43 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2k9a h LEU 119 CO -0.00 0.71 -0.55 0.00 -0.34 0.00 0.00 178.44 178.26 2k9a h ALA 120 N 1.20 0.76 0.33 1.25 0.00 -1.70 -2.52 119.26 118.57 2k9a h ALA 120 Ca 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 120 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 120 CO -0.04 0.69 -0.16 0.35 0.00 0.00 0.00 179.25 180.09 2k9a h PHE 121 N 0.00 -0.40 -0.40 0.00 3.57 -0.87 -1.06 116.94 117.78 2k9a h PHE 121 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.25 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 2k9a h PHE 121 CO 0.00 -0.09 0.11 -0.22 -2.23 0.00 0.00 178.31 175.87 2k9a h LYS 122 N -0.73 0.64 -0.07 1.11 3.64 -1.41 -2.35 116.57 117.40 2k9a h LYS 122 Ca -0.04 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2k9a h LYS 122 Cb 0.49 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k9a h LYS 122 CO 0.07 0.65 0.05 1.49 -2.27 0.00 0.00 179.45 179.45 2k9a h GLU 123 N 0.51 0.00 -0.11 1.90 4.57 -1.47 -1.02 114.58 118.96 2k9a h GLU 123 Ca 0.13 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2k9a h GLU 123 Cb 0.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2k9a h GLU 123 CO -0.00 0.00 -0.07 1.98 -1.18 0.00 0.00 179.01 179.74 2k9a h MET 124 N 0.00 0.24 -0.32 1.92 4.05 -0.65 -1.58 114.93 118.59 2k9a h MET 124 Ca 0.03 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 124 Cb 0.14 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2k9a h MET 124 CO -0.00 0.61 -0.03 0.74 0.23 0.00 0.00 176.91 178.46 2k9a h PHE 125 N -0.12 0.64 -0.70 1.39 0.04 -1.14 -1.41 116.94 115.63 2k9a h PHE 125 Ca 0.02 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2k9a h PHE 125 Cb 0.54 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2k9a h PHE 125 CO 0.07 0.73 0.33 -0.07 -0.60 0.00 0.00 178.31 178.77 2k9a h LEU 126 N 0.36 0.90 -0.51 1.54 4.07 -1.26 -0.68 115.31 119.73 2k9a h LEU 126 Ca 0.09 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 2k9a h LEU 126 Cb 0.49 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2k9a h LEU 126 CO 0.02 0.76 -0.36 -0.78 -1.08 0.00 0.00 178.44 177.00 2k9a h ASP 127 N 0.99 0.87 -0.15 -0.43 3.58 -1.16 -2.42 116.42 117.70 2k9a h ASP 127 Ca 0.24 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 2k9a h ASP 127 Cb 0.11 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k9a h ASP 127 CO -0.03 1.14 -0.23 0.22 -2.88 0.00 0.00 179.24 177.46 2k9a h TYR 128 N 0.68 0.66 -0.38 0.28 3.20 -0.79 -2.37 116.97 118.26 2k9a h TYR 128 Ca 0.06 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 128 Cb 0.92 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2k9a h TYR 128 CO 0.05 0.77 -0.20 -0.09 -1.64 0.00 0.00 178.16 177.05 2k9a h ARG 129 N 0.52 0.74 -0.12 1.82 2.43 -1.00 -2.82 114.38 115.95 2k9a h ARG 129 Ca 0.08 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 2k9a h ARG 129 Cb 0.67 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2k9a h ARG 129 CO 0.05 0.89 -0.40 0.00 -1.51 0.00 0.00 179.97 178.99 2k9a h ALA 130 N 1.12 1.09 0.00 2.80 0.00 -1.19 -2.42 119.26 120.65 2k9a h ALA 130 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k9a h ALA 130 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k9a h ALA 130 CO 0.05 0.59 0.00 1.49 0.00 0.00 0.00 179.25 181.39 2k9a h GLU 131 N 0.23 0.00 0.00 0.00 4.81 -1.17 -2.11 114.58 116.34 2k9a h GLU 131 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k9a h GLU 131 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2k9a h GLU 131 CO 0.06 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 2k9a n LYS 132 N -2.34 0.56 0.00 1.92 4.76 -0.91 -2.29 118.16 119.86 2k9a n LYS 132 Ca 0.01 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 2k9a n LYS 132 Cb 0.20 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 2k9a n LYS 132 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k9a n GLU 133 N -1.11 0.06 0.19 1.97 1.02 -0.79 -2.52 120.64 119.46 2k9a n GLU 133 Ca 0.15 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2k9a n GLU 133 Cb 0.12 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 4.90 -0.48 0.00 0.62 0.00 -1.64 -3.40 103.07 103.07 2k9a h GLY 134 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2k9a h GLY 134 CO 0.00 -0.17 0.00 -0.96 0.00 0.00 0.00 176.54 175.41 2k9a n ARG 135 N -5.21 0.00 0.00 4.80 1.85 -1.26 -5.20 116.66 111.64 2k9a n ARG 135 Ca -0.10 -0.25 0.14 0.00 -1.00 0.00 0.00 57.85 56.64 2k9a n ARG 135 Cb 0.25 -0.42 0.56 0.00 -1.05 0.00 0.00 32.46 31.80 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03