#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 5.83 0.05 3.17 1.47 -1.26 -5.00 116.67 120.93 2k9a s ASP 2 Ca 0.00 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.52 2k9a s ASP 2 Cb 0.00 -1.34 0.00 0.00 -0.34 0.00 0.00 42.92 41.24 2k9a s ASP 2 CO 0.00 -0.27 0.00 0.00 0.68 0.00 0.00 175.17 175.58 2k9a n ALA 3 N -1.46 0.00 -0.21 2.11 0.00 -1.26 -4.95 120.51 114.74 2k9a n ALA 3 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k9a n ALA 3 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2k9a n ALA 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k9a n LEU 4 N -2.57 1.02 -4.05 0.00 -0.00 -1.26 -5.06 117.00 105.08 2k9a n LEU 4 Ca 0.00 -1.02 -0.07 0.00 -0.00 0.00 0.00 56.01 54.92 2k9a n LEU 4 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2k9a n LEU 4 CO 0.00 0.25 -0.33 -1.83 -0.00 0.00 0.00 177.39 175.48 2k9a s GLU 5 N -0.23 0.61 0.00 1.47 -1.05 -1.26 -5.12 118.70 113.12 2k9a s GLU 5 Ca 0.00 -1.14 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 2k9a s GLU 5 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2k9a s GLU 5 CO 0.00 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.50 2k9a n GLY 6 N 0.22 0.52 1.81 -3.83 0.00 -1.26 -4.76 105.19 97.89 2k9a n GLY 6 Ca -0.15 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.62 2k9a n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k9a n GLU 7 N 0.00 -0.01 -3.45 1.61 -0.58 -1.26 -5.05 120.64 111.90 2k9a n GLU 7 Ca 0.00 -1.17 -0.41 0.00 -0.42 0.00 0.00 57.16 55.16 2k9a n GLU 7 Cb 0.00 -0.42 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 2k9a n GLU 7 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k9a s SER 8 N -3.02 6.13 0.22 1.62 0.01 -1.26 -5.06 113.70 112.34 2k9a s SER 8 Ca 0.32 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2k9a s SER 8 Cb -0.01 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 2k9a s SER 8 CO 0.22 -0.32 0.00 0.49 0.41 0.00 0.00 173.24 174.04 2k9a n PHE 9 N 5.27 0.51 -2.34 2.43 3.72 -1.26 -5.16 117.46 120.63 2k9a n PHE 9 Ca -0.11 -1.10 -0.26 0.00 -0.05 0.00 0.00 57.45 55.94 2k9a n PHE 9 Cb 0.49 -0.14 0.15 0.00 -0.94 0.00 0.00 39.48 39.04 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 -2.38 3.12 -0.32 4.37 0.00 -1.26 -5.03 121.76 120.25 2k9a s ALA 10 Ca 0.00 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 2k9a s ALA 10 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2k9a s ALA 10 CO 0.00 -1.93 0.79 -0.51 0.00 0.00 0.00 175.76 174.12 2k9a s LEU 11 N -5.47 4.09 -0.03 0.00 1.43 -1.26 -5.02 118.68 112.42 2k9a s LEU 11 Ca 0.71 0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 54.15 2k9a s LEU 11 Cb -0.04 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.16 2k9a s LEU 11 CO 0.48 -0.64 0.59 -0.55 0.23 0.00 0.00 176.35 176.47 2k9a s SER 12 N 1.66 -0.55 0.12 2.29 0.15 -1.26 -5.09 113.70 111.01 2k9a s SER 12 Ca 0.32 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2k9a s SER 12 Cb -0.14 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2k9a s SER 12 CO 0.13 -0.59 0.00 0.49 1.20 0.00 0.00 173.24 174.48 2k9a n PHE 13 N 0.94 -0.32 -3.94 3.44 3.72 -1.26 -5.15 117.46 114.90 2k9a n PHE 13 Ca -0.19 0.06 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 2k9a n PHE 13 Cb 0.57 0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 39.16 2k9a n PHE 13 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k9a n SER 14 N -3.42 -0.56 -1.75 4.37 7.64 -1.26 -5.04 113.62 113.60 2k9a n SER 14 Ca 0.00 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.78 2k9a n SER 14 Cb 0.00 1.11 0.19 0.00 -1.01 0.00 0.00 64.21 64.50 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k9a n SER 15 N -2.06 3.84 0.00 6.43 3.41 -1.26 -4.43 113.62 119.56 2k9a n SER 15 Ca 0.02 -2.98 0.03 0.00 -0.26 0.00 0.00 58.87 55.67 2k9a n SER 15 Cb 0.30 -0.71 0.12 0.00 -0.26 0.00 0.00 64.21 63.66 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a n ALA 16 N -0.29 1.29 -0.02 7.33 0.00 -1.26 -0.16 120.51 127.40 2k9a n ALA 16 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2k9a n ALA 16 Cb 1.20 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2k9a n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k9a n SER 17 N -1.46 1.42 0.00 0.00 3.41 -1.26 -3.63 113.62 112.10 2k9a n SER 17 Ca 0.02 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 2k9a n SER 17 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k9a n ASP 18 N -0.22 0.00 0.22 4.04 2.03 -0.30 -4.81 116.55 117.51 2k9a n ASP 18 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2k9a n ASP 18 Cb 0.12 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.45 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a h ALA 19 N 1.00 -0.60 -0.58 -1.67 0.00 -1.87 -2.84 119.26 112.70 2k9a h ALA 19 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 19 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 19 CO 0.00 -0.63 0.38 1.49 0.00 0.00 0.00 179.25 180.49 2k9a h GLU 20 N -1.01 0.58 -0.08 0.00 4.81 -0.88 -2.14 114.58 115.87 2k9a h GLU 20 Ca -0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k9a h GLU 20 Cb 0.57 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2k9a h GLU 20 CO 0.10 0.38 -0.08 0.35 -0.73 0.00 0.00 179.01 179.03 2k9a h PHE 21 N 0.60 -0.20 -0.89 0.92 3.04 -1.41 -1.58 116.94 117.42 2k9a h PHE 21 Ca 0.24 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.29 2k9a h PHE 21 Cb 0.20 0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.74 2k9a h PHE 21 CO -0.00 -0.13 0.54 -0.44 -2.02 0.00 0.00 178.31 176.27 2k9a h ASP 22 N -0.11 0.82 -0.45 0.41 3.32 -1.14 -1.64 116.42 117.64 2k9a h ASP 22 Ca 0.06 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.17 2k9a h ASP 22 Cb 0.19 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2k9a h ASP 22 CO -0.14 0.49 0.24 0.00 -1.72 0.00 0.00 179.24 178.12 2k9a h ALA 23 N 1.45 0.57 0.12 3.45 0.00 -1.11 -2.36 119.26 121.38 2k9a h ALA 23 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2k9a h ALA 23 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k9a h ALA 23 CO -0.21 -0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.10 2k9a h VAL 24 N 0.49 0.72 -1.00 0.00 2.07 -0.41 -2.17 116.25 115.95 2k9a h VAL 24 Ca 0.19 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.94 2k9a h VAL 24 Cb 0.06 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 2k9a h VAL 24 CO -0.11 0.00 0.63 0.58 0.02 0.00 0.00 177.57 178.69 2k9a h VAL 25 N -0.27 0.61 -0.35 2.57 2.07 -1.11 0.19 116.25 119.97 2k9a h VAL 25 Ca 0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2k9a h VAL 25 Cb 0.26 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 25 CO -0.04 0.10 0.15 1.23 0.02 0.00 0.00 177.57 179.03 2k9a h GLY 26 N 0.53 0.54 0.99 2.17 0.00 -0.87 -2.23 103.07 104.21 2k9a h GLY 26 Ca 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2k9a h GLY 26 CO -0.32 0.27 -0.04 -0.97 0.00 0.00 0.00 176.54 175.48 2k9a h TYR 27 N 0.42 -0.11 -0.52 5.60 0.05 -0.68 -2.53 116.97 119.20 2k9a h TYR 27 Ca 0.12 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.99 2k9a h TYR 27 Cb 0.15 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 37.86 2k9a h TYR 27 CO -0.01 -0.06 0.11 -0.07 -1.05 0.00 0.00 178.16 177.08 2k9a h LEU 28 N -0.12 0.01 -0.98 3.88 4.07 -1.33 -1.04 115.31 119.80 2k9a h LEU 28 Ca -0.01 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.14 2k9a h LEU 28 Cb 0.10 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.89 2k9a h LEU 28 CO 0.02 0.03 0.62 -0.33 -1.08 0.00 0.00 178.44 177.69 2k9a h GLU 29 N 0.25 1.01 -0.17 1.13 5.08 -1.21 0.94 114.58 121.61 2k9a h GLU 29 Ca 0.27 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2k9a h GLU 29 Cb 0.36 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k9a h GLU 29 CO -0.34 0.67 -0.18 0.22 -1.00 0.00 0.00 179.01 178.37 2k9a h ASP 30 N 1.04 0.27 0.16 1.42 1.82 -0.79 -2.35 116.42 117.99 2k9a h ASP 30 Ca 0.46 -0.07 -0.28 0.00 -0.39 0.00 0.00 57.03 56.74 2k9a h ASP 30 Cb 0.34 -0.07 0.02 0.00 0.68 0.00 0.00 39.33 40.30 2k9a h ASP 30 CO -0.22 0.48 -1.17 0.40 -1.61 0.00 0.00 179.24 177.11 2k9a h ILE 31 N 0.26 1.31 -0.07 2.25 2.04 -0.36 -2.68 117.51 120.26 2k9a h ILE 31 Ca 0.05 -2.45 -0.05 0.00 1.00 0.00 0.00 64.86 63.41 2k9a h ILE 31 Cb 0.48 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2k9a h ILE 31 CO 0.03 0.74 -0.17 0.40 0.00 0.00 0.00 178.15 179.16 2k9a h ILE 32 N 0.29 1.16 -0.01 -0.67 2.04 -0.71 -1.59 117.51 118.02 2k9a h ILE 32 Ca -0.16 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2k9a h ILE 32 Cb 1.84 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2k9a h ILE 32 CO 0.22 0.22 -0.21 1.15 0.00 0.00 0.00 178.15 179.53 2k9a n MET 33 N -4.29 1.09 -2.02 2.37 0.00 -0.90 -4.65 117.12 108.72 2k9a n MET 33 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 57.70 56.59 2k9a n MET 33 Cb 0.27 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 31.97 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 -2.38 6.67 0.13 3.17 -1.08 -0.60 -4.93 116.67 117.65 2k9a s ASP 34 Ca 0.27 2.60 -0.20 0.00 -0.52 0.00 0.00 52.55 54.70 2k9a s ASP 34 Cb 0.20 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 2k9a s ASP 34 CO 0.48 -0.72 1.71 -0.78 0.52 0.00 0.00 175.17 176.37 2k9a h ASP 35 N 5.78 -0.18 -0.24 -0.34 1.82 -1.91 -1.19 116.42 120.16 2k9a h ASP 35 Ca -0.44 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.30 2k9a h ASP 35 Cb 1.21 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.33 2k9a h ASP 35 CO 0.83 -0.06 0.17 -0.08 -1.61 0.00 0.00 179.24 178.48 2k9a h GLU 36 N -0.00 0.09 -0.09 0.28 4.81 -1.94 -2.07 114.58 115.66 2k9a h GLU 36 Ca 0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2k9a h GLU 36 Cb 0.14 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k9a h GLU 36 CO -0.19 0.06 -0.12 0.35 -0.73 0.00 0.00 179.01 178.38 2k9a h PHE 37 N 0.09 0.29 -0.75 0.92 3.57 -1.51 -2.31 116.94 117.24 2k9a h PHE 37 Ca 0.11 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2k9a h PHE 37 Cb 0.32 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2k9a h PHE 37 CO -0.00 0.70 0.50 1.96 -2.23 0.00 0.00 178.31 179.23 2k9a h GLN 38 N -0.20 0.84 -0.36 1.11 1.08 -0.69 -1.47 115.11 115.42 2k9a h GLN 38 Ca 0.01 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 2k9a h GLN 38 Cb 0.66 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2k9a h GLN 38 CO 0.03 0.55 -0.25 1.25 -0.95 0.00 0.00 178.83 179.46 2k9a h LEU 39 N 0.86 0.85 0.06 1.46 6.46 -1.36 -2.52 115.31 121.12 2k9a h LEU 39 Ca 0.31 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2k9a h LEU 39 Cb 0.15 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2k9a h LEU 39 CO -0.10 1.10 -0.03 0.25 -0.62 0.00 0.00 178.44 179.04 2k9a h LEU 40 N 0.60 -0.07 0.07 2.25 6.46 -0.80 0.15 115.31 123.97 2k9a h LEU 40 Ca 0.07 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 40 Cb 0.82 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 2k9a h LEU 40 CO 0.07 0.04 -0.09 -0.61 -0.62 0.00 0.00 178.44 177.23 2k9a h GLN 41 N -0.17 -0.18 -0.34 1.25 4.15 -1.33 -2.56 115.11 115.93 2k9a h GLN 41 Ca -0.01 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 2k9a h GLN 41 Cb 0.15 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2k9a h GLN 41 CO 0.01 -0.12 -0.11 0.00 -1.93 0.00 0.00 178.83 176.69 2k9a h ARG 42 N -0.19 0.58 -0.07 1.69 2.47 -1.44 -0.39 114.38 117.03 2k9a h ARG 42 Ca 0.01 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2k9a h ARG 42 Cb 0.19 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2k9a h ARG 42 CO -0.04 0.68 0.03 -0.97 0.56 0.00 0.00 179.97 180.23 2k9a h ASN 43 N 0.53 0.04 0.14 7.04 -0.73 -0.70 -2.05 115.58 119.87 2k9a h ASN 43 Ca 0.10 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 58.03 2k9a h ASN 43 Cb 0.51 -0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.12 2k9a h ASN 43 CO 0.03 0.04 -1.03 -0.26 -0.37 0.00 0.00 177.43 175.84 2k9a h PHE 44 N 0.07 0.76 -0.23 0.67 -1.00 -1.41 -3.27 116.94 112.53 2k9a h PHE 44 Ca 0.03 -0.52 0.07 0.00 2.81 0.00 0.00 57.97 60.36 2k9a h PHE 44 Cb 0.01 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2k9a h PHE 44 CO -0.09 1.38 0.22 0.00 -1.61 0.00 0.00 178.31 178.21 2k9a h MET 45 N -0.08 0.00 -0.09 1.51 -0.00 -1.07 0.54 114.93 115.75 2k9a h MET 45 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.52 2k9a h MET 45 Cb 1.78 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.37 2k9a h MET 45 CO 0.20 0.00 -0.01 0.22 -0.00 0.00 0.00 176.91 177.32 2k9a h ASP 46 N 0.00 0.11 0.04 -0.10 1.82 -1.42 -1.53 116.42 115.34 2k9a h ASP 46 Ca 0.11 -0.01 -0.37 0.00 -0.39 0.00 0.00 57.03 56.37 2k9a h ASP 46 Cb 0.55 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.48 2k9a h ASP 46 CO -0.00 0.14 -2.14 1.17 -1.61 0.00 0.00 179.24 176.81 2k9a n LYS 47 N -4.45 0.66 -0.10 0.28 3.00 0.05 -4.27 118.16 113.32 2k9a n LYS 47 Ca -0.02 0.28 -0.05 0.00 -0.00 0.00 0.00 58.31 58.52 2k9a n LYS 47 Cb 0.14 -1.61 0.01 0.00 0.00 0.00 0.00 35.03 33.57 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 -0.35 -0.09 0.00 5.64 -1.99 -1.12 0.15 116.97 119.21 2k9a h TYR 48 Ca -0.52 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2k9a h TYR 48 Cb 1.78 0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.61 2k9a h TYR 48 CO 0.03 -0.10 0.00 0.10 -0.00 0.00 0.00 178.16 178.19 2k9a h TYR 49 N 0.06 0.00 0.21 4.88 -0.00 -1.50 -1.56 116.97 119.06 2k9a h TYR 49 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.62 2k9a h TYR 49 Cb 0.26 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.02 2k9a h TYR 49 CO -0.28 0.00 -1.26 -0.07 -0.00 0.00 0.00 178.16 176.55 2k9a h LEU 50 N 0.00 0.69 -0.55 0.10 3.38 -1.16 -3.33 115.31 114.44 2k9a h LEU 50 Ca 0.00 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.90 2k9a h LEU 50 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2k9a h LEU 50 CO 0.00 1.60 -0.37 -0.33 0.09 0.00 0.00 178.44 179.43 2k9a h GLU 51 N -0.06 0.76 -5.88 1.13 4.39 -0.90 -3.37 114.58 110.65 2k9a h GLU 51 Ca -0.22 -0.38 -0.65 0.00 0.34 0.00 0.00 59.36 58.44 2k9a h GLU 51 Cb 1.97 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.53 2k9a h GLU 51 CO 0.22 1.00 1.89 -0.06 -1.16 0.00 0.00 179.01 180.90 2k9a s PHE 52 N -4.36 2.73 0.13 4.33 0.40 -0.67 -4.97 117.98 115.57 2k9a s PHE 52 Ca -0.09 -1.37 -0.04 0.00 -0.60 0.00 0.00 56.93 54.83 2k9a s PHE 52 Cb 0.12 -4.71 -0.05 0.00 0.51 0.00 0.00 43.02 38.89 2k9a s PHE 52 CO 0.85 -1.83 0.34 -1.21 0.70 0.00 0.00 175.22 174.07 2k9a s GLU 53 N 4.34 3.58 -0.76 0.44 2.02 -1.26 -4.81 118.70 122.26 2k9a s GLU 53 Ca 0.50 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 55.06 2k9a s GLU 53 Cb 0.02 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 2k9a s GLU 53 CO 0.01 0.49 1.76 0.34 0.02 0.00 0.00 175.26 177.88 2k9a s ASP 54 N -2.50 5.49 0.41 -0.19 -1.08 -1.26 -4.93 116.67 112.61 2k9a s ASP 54 Ca 0.40 -0.25 0.04 0.00 -0.52 0.00 0.00 52.55 52.21 2k9a s ASP 54 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 2k9a s ASP 54 CO 0.26 -2.32 0.13 0.42 0.52 0.00 0.00 175.17 174.18 2k9a s THR 55 N 8.47 0.60 -0.27 1.71 -4.23 -1.26 -5.06 115.64 115.60 2k9a s THR 55 Ca 0.61 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.30 2k9a s THR 55 Cb -0.09 -2.35 -0.26 0.00 1.34 0.00 0.00 72.50 71.14 2k9a s THR 55 CO 0.11 0.00 0.51 -1.84 -0.54 0.00 0.00 174.62 172.86 2k9a n GLU 56 N -0.91 0.71 -4.18 3.99 0.28 -1.26 -4.95 120.64 114.32 2k9a n GLU 56 Ca -0.06 -0.12 -0.34 0.00 -0.16 0.00 0.00 57.16 56.48 2k9a n GLU 56 Cb 0.65 -1.41 -0.08 0.00 1.43 0.00 0.00 31.44 32.03 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k9a s GLU 57 N -3.11 3.08 -0.16 3.44 2.02 -1.26 -5.10 118.70 117.61 2k9a s GLU 57 Ca -0.03 -0.40 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 2k9a s GLU 57 Cb 0.12 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2k9a s GLU 57 CO 0.76 0.69 0.21 -0.80 0.02 0.00 0.00 175.26 176.15 2k9a s ASN 58 N -1.27 6.36 0.23 -0.19 0.01 -1.26 -5.09 114.94 113.73 2k9a s ASN 58 Ca 0.18 0.42 0.05 0.00 -0.71 0.00 0.00 52.86 52.80 2k9a s ASN 58 Cb -0.12 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 2k9a s ASN 58 CO 0.07 0.19 0.33 -0.54 -1.51 0.00 0.00 177.10 175.64 2k9a s LYS 59 N 0.12 3.38 0.01 -0.60 1.02 -1.26 -5.00 119.74 117.41 2k9a s LYS 59 Ca 0.13 -0.78 0.28 0.00 0.02 0.00 0.00 55.97 55.63 2k9a s LYS 59 Cb -0.12 -2.86 1.19 0.00 -0.52 0.00 0.00 37.83 35.52 2k9a s LYS 59 CO 0.02 0.44 1.90 -0.11 -0.92 0.00 0.00 175.35 176.68 2k9a n LEU 60 N -1.30 0.05 0.24 3.17 7.94 -1.26 -3.33 117.00 122.52 2k9a n LEU 60 Ca -0.09 0.51 0.16 0.00 -1.11 0.00 0.00 56.01 55.48 2k9a n LEU 60 Cb 0.57 -0.49 0.78 0.00 0.53 0.00 0.00 43.42 44.81 2k9a n LEU 60 CO 0.45 -0.02 0.99 -0.29 -1.11 0.00 0.00 177.39 177.40 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.02 -1.87 117.51 121.67 2k9a h ILE 61 Ca 0.00 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.30 2k9a h ILE 61 Cb 0.50 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.81 2k9a h ILE 61 CO 0.00 0.00 -0.03 1.88 -3.07 0.00 0.00 178.15 176.93 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 0.05 -1.99 -2.83 116.97 114.49 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 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2k9a h TYR 62 CO 0.00 0.03 -0.04 1.15 -1.05 0.00 0.00 178.16 178.25 2k9a h THR 63 N 0.00 1.11 -0.62 -2.88 2.02 -1.60 -2.57 112.91 108.37 2k9a h THR 63 Ca -0.00 -1.35 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 2k9a h THR 63 Cb 0.56 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2k9a h THR 63 CO 0.00 0.30 0.06 1.55 0.37 0.00 0.00 175.52 177.80 2k9a h PRO 64 N -0.81 1.05 -0.39 6.66 0.13 -1.71 -2.49 132.00 134.44 2k9a h PRO 64 Ca -0.01 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2k9a h PRO 64 Cb 0.58 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.02 1.00 0.22 0.82 -0.23 0.00 0.00 178.00 179.82 2k9a h ILE 65 N 0.95 1.15 -0.90 -3.56 2.04 -1.62 -2.19 117.51 113.38 2k9a h ILE 65 Ca 0.18 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2k9a h ILE 65 Cb 0.48 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2k9a h ILE 65 CO 0.02 0.15 0.54 0.15 0.00 0.00 0.00 178.15 179.01 2k9a h PHE 66 N 0.50 1.18 -0.26 1.37 3.57 -1.37 -1.86 116.94 120.07 2k9a h PHE 66 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2k9a h PHE 66 Cb 0.05 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 2k9a h PHE 66 CO -0.03 0.78 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.89 2k9a h ASN 67 N 1.24 0.36 0.02 0.41 2.35 -1.09 -2.25 115.58 116.62 2k9a h ASN 67 Ca 0.32 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 2k9a h ASN 67 Cb -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2k9a h ASN 67 CO -0.06 0.45 -0.44 -0.08 -1.65 0.00 0.00 177.43 175.65 2k9a h GLU 68 N 0.38 0.51 -0.40 0.81 4.81 -0.73 -1.63 114.58 118.33 2k9a h GLU 68 Ca 0.08 -0.27 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 2k9a h GLU 68 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 68 CO 0.01 0.86 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.90 2k9a h TYR 69 N 0.41 1.06 0.00 0.92 3.20 -0.99 0.68 116.97 122.25 2k9a h TYR 69 Ca 0.03 -0.29 -0.13 0.00 3.14 0.00 0.00 58.73 61.48 2k9a h TYR 69 Cb 0.94 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2k9a h TYR 69 CO 0.03 1.10 -0.61 0.82 -1.64 0.00 0.00 178.16 177.86 2k9a h ILE 70 N 0.75 1.33 0.00 1.81 1.08 -1.35 0.13 117.51 121.25 2k9a h ILE 70 Ca 0.08 -2.19 -0.25 0.00 -0.39 0.00 0.00 64.86 62.11 2k9a h ILE 70 Cb 0.90 2.22 -0.04 0.00 -3.07 0.00 0.00 36.82 36.83 2k9a h ILE 70 CO 0.08 0.60 -1.37 0.28 -0.69 0.00 0.00 178.15 177.06 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.18 -2.68 113.55 111.43 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 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k9a h SER 71 CO 0.08 0.99 -0.41 -0.11 -1.14 0.00 0.00 176.83 176.24 2k9a n LEU 72 N -3.19 1.42 0.14 5.07 -0.00 0.22 -4.16 117.00 116.51 2k9a n LEU 72 Ca -0.09 0.54 -0.07 0.00 -0.00 0.00 0.00 56.01 56.40 2k9a n LEU 72 Cb 0.99 -0.79 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2k9a n LEU 72 CO 0.46 -0.48 0.19 0.58 -0.00 0.00 0.00 177.39 178.15 2k9a h VAL 73 N -0.78 0.00 -0.49 1.96 2.07 -1.16 -2.42 116.25 115.42 2k9a h VAL 73 Ca 0.00 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 67.04 2k9a h VAL 73 Cb 0.41 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 2k9a h VAL 73 CO 0.00 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 177.51 2k9a h GLU 74 N -1.01 0.11 -0.83 1.57 4.22 -1.54 -1.37 114.58 115.74 2k9a h GLU 74 Ca -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 2k9a h GLU 74 Cb 0.34 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2k9a h GLU 74 CO 0.07 0.07 0.39 0.87 -2.18 0.00 0.00 179.01 178.24 2k9a h LYS 75 N 0.11 1.20 -0.74 1.92 1.79 -1.61 -2.37 116.57 116.88 2k9a h LYS 75 Ca 0.24 -0.18 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 2k9a h LYS 75 Cb 0.37 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 2k9a h LYS 75 CO -0.41 0.93 0.49 -0.92 -1.08 0.00 0.00 179.45 178.46 2k9a h TYR 76 N 1.18 0.75 0.02 -1.35 3.20 -0.74 -0.66 116.97 119.36 2k9a h TYR 76 Ca 0.28 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2k9a h TYR 76 Cb 0.13 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2k9a h TYR 76 CO 0.01 0.37 -0.01 0.82 -1.64 0.00 0.00 178.16 177.72 2k9a h ILE 77 N 0.72 1.38 -0.77 1.81 2.04 -0.92 -2.74 117.51 119.02 2k9a h ILE 77 Ca 0.33 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 65.00 2k9a h ILE 77 Cb 0.36 2.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 2k9a h ILE 77 CO -0.12 0.31 0.49 -0.08 0.00 0.00 0.00 178.15 178.76 2k9a h GLU 78 N -0.55 0.94 0.07 2.37 4.81 -1.08 -2.25 114.58 118.89 2k9a h GLU 78 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k9a h GLU 78 Cb 0.53 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 78 CO 0.00 0.62 -0.03 0.93 -0.73 0.00 0.00 179.01 179.80 2k9a h GLU 79 N 0.97 -0.09 -0.35 1.92 4.39 -1.18 -0.44 114.58 119.80 2k9a h GLU 79 Ca 0.30 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.06 2k9a h GLU 79 Cb -0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2k9a h GLU 79 CO -0.10 -0.00 0.23 1.96 -1.16 0.00 0.00 179.01 179.94 2k9a h GLN 80 N -0.15 0.26 0.09 2.33 1.08 -1.27 -1.72 115.11 115.72 2k9a h GLN 80 Ca -0.01 -0.02 -0.28 0.00 -1.45 0.00 0.00 58.65 56.90 2k9a h GLN 80 Cb 0.13 -0.06 0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2k9a h GLN 80 CO 0.02 0.17 -1.17 -0.07 -0.95 0.00 0.00 178.83 176.83 2k9a h LEU 81 N 0.26 0.72 -1.40 1.46 3.38 -1.02 -3.24 115.31 115.47 2k9a h LEU 81 Ca 0.15 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 2k9a h LEU 81 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2k9a h LEU 81 CO -0.03 1.47 -0.24 -0.07 0.09 0.00 0.00 178.44 179.67 2k9a h LEU 82 N 0.24 0.00 -2.45 1.67 3.38 -0.36 -0.29 115.31 117.50 2k9a h LEU 82 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k9a h LEU 82 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2k9a h LEU 82 CO 0.21 0.24 0.01 1.56 0.09 0.00 0.00 178.44 180.55 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.37 -2.94 115.11 113.02 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 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2k9a h GLN 83 CO 0.03 0.00 -0.92 0.54 -0.95 0.00 0.00 178.83 177.53 2k9a n ARG 84 N -2.80 2.91 -3.81 1.46 1.74 -1.00 -4.94 116.66 110.22 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.06 -0.96 -0.14 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.90 1.72 -1.68 0.55 1.01 -0.15 -4.95 121.20 115.80 2k9a s ILE 85 Ca 0.00 -2.55 0.17 0.00 0.00 0.00 0.00 60.65 58.27 2k9a s ILE 85 Cb 0.00 -2.22 0.39 0.00 0.01 0.00 0.00 42.46 40.64 2k9a s ILE 85 CO 0.00 -0.81 1.48 -0.81 0.00 0.00 0.00 174.94 174.81 2k9a n PRO 86 N 3.71 0.38 -0.16 2.79 -0.04 -1.22 -2.06 135.00 138.39 2k9a n PRO 86 Ca 0.06 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2k9a n PRO 86 Cb 0.36 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.16 2.80 -2.50 0.54 -0.58 -1.26 -5.02 120.64 113.45 2k9a n GLU 87 Ca 0.10 -2.07 -0.41 0.00 -0.42 0.00 0.00 57.16 54.37 2k9a n GLU 87 Cb 0.10 -1.31 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -1.43 3.60 -0.35 -0.32 5.36 -0.87 -5.02 117.98 118.94 2k9a s PHE 88 Ca 0.21 1.65 0.03 0.00 -0.96 0.00 0.00 56.93 57.86 2k9a s PHE 88 Cb 0.14 -3.27 0.10 0.00 -0.34 0.00 0.00 43.02 39.64 2k9a s PHE 88 CO 0.10 -0.56 0.07 -0.80 -1.46 0.00 0.00 175.22 172.56 2k9a s ASN 89 N -0.49 4.81 0.38 6.13 -0.87 -1.26 -4.96 114.94 118.68 2k9a s ASN 89 Ca 0.47 -2.17 0.08 0.00 -1.57 0.00 0.00 52.86 49.66 2k9a s ASN 89 Cb -0.31 -1.65 0.77 0.00 -0.02 0.00 0.00 41.25 40.05 2k9a s ASN 89 CO 0.38 -0.39 1.95 -0.03 -2.57 0.00 0.00 177.10 176.44 2k9a h MET 90 N 7.62 0.39 0.57 -0.60 4.05 -1.97 -1.10 114.93 123.89 2k9a h MET 90 Ca -0.05 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 90 Cb 1.02 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.76 2k9a h MET 90 CO 0.54 0.41 -0.28 0.00 0.23 0.00 0.00 176.91 177.81 2k9a h ALA 91 N 1.64 -0.77 0.00 0.39 0.00 -2.00 -2.18 119.26 116.34 2k9a h ALA 91 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k9a h ALA 91 Cb 0.23 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k9a h ALA 91 CO 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 179.25 178.23 2k9a h ALA 92 N -0.74 1.61 0.06 0.00 0.00 -1.98 -2.67 119.26 115.54 2k9a h ALA 92 Ca -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 92 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k9a h ALA 92 CO 0.13 0.26 -0.03 0.35 0.00 0.00 0.00 179.25 179.96 2k9a h PHE 93 N 0.00 -0.07 -0.76 0.00 3.57 -1.13 -2.71 116.94 115.83 2k9a h PHE 93 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 93 Cb 0.38 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2k9a h PHE 93 CO 0.00 0.21 0.42 1.79 -2.23 0.00 0.00 178.31 178.50 2k9a h THR 94 N -0.36 1.23 -0.37 4.41 1.35 -1.26 0.01 112.91 117.91 2k9a h THR 94 Ca -0.01 -0.57 0.06 0.00 -0.55 0.00 0.00 66.41 65.34 2k9a h THR 94 Cb 0.32 0.21 -0.05 0.00 -1.73 0.00 0.00 68.15 66.90 2k9a h THR 94 CO 0.01 0.25 0.07 0.74 -0.25 0.00 0.00 175.52 176.34 2k9a h THR 95 N 1.06 0.80 0.00 6.82 2.02 -1.45 -1.39 112.91 120.77 2k9a h THR 95 Ca 0.27 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 67.25 2k9a h THR 95 Cb 0.03 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2k9a h THR 95 CO -0.04 0.03 -0.67 0.74 0.37 0.00 0.00 175.52 175.96 2k9a h THR 96 N 0.19 1.42 -0.47 3.16 2.02 -1.26 -3.18 112.91 114.79 2k9a h THR 96 Ca 0.18 -2.33 -0.06 0.00 0.77 0.00 0.00 66.41 64.98 2k9a h THR 96 Cb 0.21 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2k9a h THR 96 CO -0.24 0.65 0.05 0.25 0.37 0.00 0.00 175.52 176.60 2k9a h LEU 97 N 0.00 0.70 -0.75 2.58 6.46 -0.20 -1.01 115.31 123.09 2k9a h LEU 97 Ca -0.01 -0.14 0.15 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 97 Cb 1.22 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.87 2k9a h LEU 97 CO 0.09 0.74 0.26 1.56 -0.62 0.00 0.00 178.44 180.47 2k9a h GLN 98 N 0.70 0.37 0.03 1.25 4.20 -1.26 0.10 115.11 120.51 2k9a h GLN 98 Ca 0.15 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.52 2k9a h GLN 98 Cb 0.36 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2k9a h GLN 98 CO 0.01 0.25 -1.84 -2.39 -0.67 0.00 0.00 178.83 174.18 2k9a n HIS 99 N -5.05 0.95 0.91 2.96 1.44 -1.16 -3.85 115.22 111.41 2k9a n HIS 99 Ca 0.14 0.30 0.08 0.00 -2.01 0.00 0.00 57.72 56.24 2k9a n HIS 99 Cb 0.43 -1.16 0.45 0.00 0.12 0.00 0.00 29.99 29.83 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 -3.12 0.00 0.30 -1.40 -0.00 -0.39 -2.66 115.22 107.95 2k9a n HIS 100 Ca -0.22 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 57.69 2k9a n HIS 100 Cb 1.06 -0.14 0.98 0.00 -0.00 0.00 0.00 29.99 31.88 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -0.92 -0.60 116.57 120.26 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 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 2k9a n ASP 102 N -2.86 0.00 0.03 4.20 5.68 -1.09 -3.85 116.55 118.66 2k9a n ASP 102 Ca -0.02 -0.33 -0.01 0.00 -0.50 0.00 0.00 54.79 53.93 2k9a n ASP 102 Cb 0.10 -0.13 -0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2k9a n GLU 103 N -1.13 0.07 -1.03 0.11 -0.58 -0.25 -5.06 120.64 112.77 2k9a n GLU 103 Ca 0.12 0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.57 2k9a n GLU 103 Cb 0.10 -0.62 0.13 0.00 -0.57 0.00 0.00 31.44 30.48 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k9a s VAL 104 N -2.11 2.53 -0.34 2.62 0.11 -1.12 -4.84 120.40 117.27 2k9a s VAL 104 Ca -0.04 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2k9a s VAL 104 Cb 0.01 -2.46 -0.08 0.00 -1.53 0.00 0.00 36.38 32.32 2k9a s VAL 104 CO 0.06 -0.21 2.28 0.00 -3.33 0.00 0.00 175.10 173.90 2k9a n ALA 105 N -3.70 1.35 0.20 1.54 0.00 -1.26 -4.82 120.51 113.83 2k9a n ALA 105 Ca 0.11 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.24 2k9a n ALA 105 Cb 0.52 -2.88 0.54 0.00 0.00 0.00 0.00 19.45 17.63 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 15.43 0.09 1.44 0.00 0.00 -1.89 -2.17 103.07 115.97 2k9a h GLY 106 Ca -0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2k9a h GLY 106 CO 1.03 0.04 0.10 -0.55 0.00 0.00 0.00 176.54 177.16 2k9a h ASP 107 N 0.09 0.66 -0.00 0.19 5.19 -1.97 0.52 116.42 121.10 2k9a h ASP 107 Ca 0.02 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2k9a h ASP 107 Cb 0.14 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2k9a h ASP 107 CO 0.01 0.67 -0.01 0.40 -3.12 0.00 0.00 179.24 177.18 2k9a h ILE 108 N 0.69 1.56 0.00 0.35 1.08 -1.79 -3.27 117.51 116.13 2k9a h ILE 108 Ca 0.15 -1.67 -0.06 0.00 -0.39 0.00 0.00 64.86 62.90 2k9a h ILE 108 Cb 0.28 2.69 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2k9a h ILE 108 CO -0.00 0.43 -0.28 0.15 -0.69 0.00 0.00 178.15 177.77 2k9a h PHE 109 N -0.69 0.00 -1.06 1.37 3.57 -1.44 -2.73 116.94 115.95 2k9a h PHE 109 Ca -0.00 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 109 Cb 0.72 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2k9a h PHE 109 CO 0.17 0.28 0.80 0.22 -2.23 0.00 0.00 178.31 177.55 2k9a h ASP 110 N 0.00 0.00 0.03 0.41 3.58 -0.94 0.61 116.42 120.10 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 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k9a h ASP 110 CO 0.04 0.00 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.35 2k9a h MET 111 N 0.00 -0.04 0.00 0.28 4.05 -1.64 -3.18 114.93 114.41 2k9a h MET 111 Ca 0.50 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.91 2k9a h MET 111 Cb 2.09 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.90 2k9a h MET 111 CO -0.01 0.57 -0.09 -0.07 0.23 0.00 0.00 176.91 177.54 2k9a h LEU 112 N -0.68 0.00 -1.90 3.39 3.38 -0.68 -2.82 115.31 116.00 2k9a h LEU 112 Ca -0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2k9a h LEU 112 CO 0.01 0.09 0.62 0.25 0.09 0.00 0.00 178.44 179.50 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.05 0.58 115.31 123.45 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 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 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 -3.89 0.00 -0.02 1.05 -2.24 -1.07 -2.43 114.28 105.69 2k9a n THR 114 Ca 0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 2k9a n THR 114 Cb 0.88 -0.56 0.25 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.60 0.00 4.78 0.04 -1.15 -3.39 116.94 117.82 2k9a h PHE 115 Ca 0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2k9a h PHE 115 Cb 0.00 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.98 2k9a h PHE 115 CO 0.00 0.62 0.00 -2.37 -0.60 0.00 0.00 178.31 175.96 2k9a n THR 116 N -4.23 0.00 -2.35 -1.55 5.66 -1.15 -5.00 114.28 105.66 2k9a n THR 116 Ca 0.01 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.66 2k9a n THR 116 Cb 0.29 0.15 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k9a s ASP 117 N 0.00 5.96 0.54 1.09 1.11 -1.02 -4.78 116.67 119.57 2k9a s ASP 117 Ca 0.00 -1.46 0.23 0.00 0.18 0.00 0.00 52.55 51.50 2k9a s ASP 117 Cb 0.00 -2.57 1.40 0.00 1.07 0.00 0.00 42.92 42.82 2k9a s ASP 117 CO 0.00 -2.03 2.06 0.15 1.18 0.00 0.00 175.17 176.53 2k9a h PHE 118 N 9.76 0.00 -0.51 4.23 3.57 -1.89 -1.35 116.94 130.76 2k9a h PHE 118 Ca 0.22 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2k9a h PHE 118 Cb 0.97 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2k9a h PHE 118 CO 1.28 0.00 0.08 1.25 -2.23 0.00 0.00 178.31 178.69 2k9a h LEU 119 N 0.00 0.82 -0.62 0.59 5.85 -1.98 -1.98 115.31 117.99 2k9a h LEU 119 Ca 0.14 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2k9a h LEU 119 Cb 0.60 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2k9a h LEU 119 CO -0.00 0.88 -0.50 0.00 -0.34 0.00 0.00 178.44 178.48 2k9a h ALA 120 N 0.97 0.86 0.29 1.25 0.00 -1.65 -2.15 119.26 118.83 2k9a h ALA 120 Ca 0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2k9a h ALA 120 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k9a h ALA 120 CO 0.01 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 180.10 2k9a h PHE 121 N 0.00 -0.36 -0.47 0.00 3.57 -1.11 -1.16 116.94 117.41 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 1.12 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2k9a h PHE 121 CO 0.00 -0.02 0.13 -0.22 -2.23 0.00 0.00 178.31 175.97 2k9a h LYS 122 N -0.75 0.74 -0.17 1.11 3.64 -1.42 -2.47 116.57 117.25 2k9a h LYS 122 Ca -0.04 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2k9a h LYS 122 Cb 0.50 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2k9a h LYS 122 CO 0.06 0.72 0.06 1.49 -2.27 0.00 0.00 179.45 179.52 2k9a h GLU 123 N 0.63 0.23 -0.16 1.90 4.81 -1.43 -1.62 114.58 118.94 2k9a h GLU 123 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2k9a h GLU 123 Cb 0.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k9a h GLU 123 CO -0.00 0.20 0.03 1.98 -0.73 0.00 0.00 179.01 180.49 2k9a h MET 124 N 0.23 0.26 -0.08 1.92 4.05 -0.74 -1.77 114.93 118.79 2k9a h MET 124 Ca 0.06 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2k9a h MET 124 Cb 0.06 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2k9a h MET 124 CO -0.01 0.43 0.02 0.74 0.23 0.00 0.00 176.91 178.32 2k9a h PHE 125 N 0.04 0.14 -0.19 1.39 0.04 -1.20 -2.51 116.94 114.65 2k9a h PHE 125 Ca 0.05 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.86 2k9a h PHE 125 Cb 0.30 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2k9a h PHE 125 CO 0.02 0.31 0.14 -0.07 -0.60 0.00 0.00 178.31 178.11 2k9a h LEU 126 N -0.07 0.00 -0.18 1.54 4.07 -1.31 -1.59 115.31 117.76 2k9a h LEU 126 Ca 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 2k9a h LEU 126 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2k9a h LEU 126 CO 0.00 0.00 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.41 2k9a h ASP 127 N 0.00 0.46 -0.74 -0.43 3.58 -0.98 -2.14 116.42 116.16 2k9a h ASP 127 Ca 0.09 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 2k9a h ASP 127 Cb 0.38 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2k9a h ASP 127 CO -0.00 0.84 0.44 0.22 -2.88 0.00 0.00 179.24 177.87 2k9a h TYR 128 N 0.09 0.99 -0.25 0.28 3.20 -0.89 -1.79 116.97 118.59 2k9a h TYR 128 Ca 0.03 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2k9a h TYR 128 Cb 0.71 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2k9a h TYR 128 CO 0.08 0.66 -0.31 -0.09 -1.64 0.00 0.00 178.16 176.86 2k9a h ARG 129 N 1.03 0.52 -0.43 1.82 2.43 -1.33 -2.81 114.38 115.61 2k9a h ARG 129 Ca 0.27 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2k9a h ARG 129 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2k9a h ARG 129 CO -0.05 0.77 0.10 0.00 -1.51 0.00 0.00 179.97 179.27 2k9a h ALA 130 N 1.22 1.37 0.00 2.80 0.00 -0.65 -1.76 119.26 122.24 2k9a h ALA 130 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 130 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k9a h ALA 130 CO 0.06 0.45 -0.19 1.49 0.00 0.00 0.00 179.25 181.06 2k9a h GLU 131 N 0.62 0.00 0.00 0.00 4.81 -1.17 -1.35 114.58 117.49 2k9a h GLU 131 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2k9a h GLU 131 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2k9a h GLU 131 CO -0.00 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 180.10 2k9a n LYS 132 N -4.04 0.09 -0.13 1.92 4.76 -0.66 -1.70 118.16 118.39 2k9a n LYS 132 Ca -0.02 0.21 0.10 0.00 -2.87 0.00 0.00 58.31 55.74 2k9a n LYS 132 Cb 0.27 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.41 2.25 -0.10 1.97 1.02 -0.51 -4.31 120.64 119.55 2k9a n GLU 133 Ca 0.05 -2.07 0.01 0.00 -0.02 0.00 0.00 57.16 55.13 2k9a n GLU 133 Cb 0.14 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.27 -0.24 0.17 0.62 0.00 -0.69 -4.88 105.19 101.45 2k9a n GLY 134 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2k9a n GLY 134 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k9a h ARG 135 N 0.00 -0.37 0.00 1.61 9.65 -1.70 -3.51 114.38 120.07 2k9a h ARG 135 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2k9a h ARG 135 Cb 0.96 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2k9a h ARG 135 CO 0.00 -0.24 0.00 0.41 2.80 0.00 0.00 179.97 182.94