#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 0.00 0.00 7.83 5.75 -1.26 -4.85 116.55 124.02 2k9a n ASP 2 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 2k9a n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k9a n ALA 3 N 0.00 0.00 -3.57 2.12 0.00 -1.26 -5.06 120.51 112.74 2k9a n ALA 3 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2k9a n ALA 3 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 2k9a n ALA 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k9a s LEU 4 N 0.00 3.31 0.00 0.00 2.96 -1.26 -4.82 118.68 118.86 2k9a s LEU 4 Ca 0.00 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 2k9a s LEU 4 Cb 0.00 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.97 2k9a s LEU 4 CO 0.00 -0.13 0.00 1.21 -1.32 0.00 0.00 176.35 176.11 2k9a n GLU 5 N 4.73 0.80 -1.67 1.98 2.13 -1.26 -4.34 120.64 123.00 2k9a n GLU 5 Ca -0.16 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.23 2k9a n GLU 5 Cb 0.48 -0.07 -0.03 0.00 0.27 0.00 0.00 31.44 32.09 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k9a n GLY 6 N 0.00 1.79 3.76 8.31 0.00 -1.26 -4.96 105.19 112.83 2k9a n GLY 6 Ca 0.00 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 3.86 4.68 -0.19 1.61 0.41 -1.26 -4.97 118.70 122.83 2k9a s GLU 7 Ca 0.87 1.28 0.02 0.00 -0.41 0.00 0.00 54.97 56.73 2k9a s GLU 7 Cb -0.46 -3.28 -0.13 0.00 -1.78 0.00 0.00 34.13 28.48 2k9a s GLU 7 CO 0.41 0.53 -0.16 0.45 -0.49 0.00 0.00 175.26 176.00 2k9a n SER 8 N 1.63 2.42 -4.08 -0.19 2.88 -1.26 -5.02 113.62 110.01 2k9a n SER 8 Ca -0.04 -0.10 -0.30 0.00 -1.33 0.00 0.00 58.87 57.10 2k9a n SER 8 Cb 0.48 -0.26 0.19 0.00 -0.75 0.00 0.00 64.21 63.87 2k9a n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 9 N -2.39 1.49 0.04 0.66 0.40 -1.26 -5.11 117.98 111.80 2k9a s PHE 9 Ca -0.26 0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 56.24 2k9a s PHE 9 Cb 0.07 -4.14 0.02 0.00 0.51 0.00 0.00 43.02 39.47 2k9a s PHE 9 CO 0.46 -2.74 0.28 0.00 0.70 0.00 0.00 175.22 173.92 2k9a s ALA 10 N -3.89 -0.62 -0.40 5.36 0.00 -1.26 -5.13 121.76 115.82 2k9a s ALA 10 Ca 0.75 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 2k9a s ALA 10 Cb -0.03 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.39 2k9a s ALA 10 CO 0.53 -0.39 0.44 -1.17 0.00 0.00 0.00 175.76 175.17 2k9a s LEU 11 N -2.02 4.75 0.00 0.00 1.98 -1.26 -4.79 118.68 117.34 2k9a s LEU 11 Ca -0.06 -0.55 0.00 0.00 -2.89 0.00 0.00 54.13 50.63 2k9a s LEU 11 Cb -0.01 -2.40 0.00 0.00 0.66 0.00 0.00 46.19 44.44 2k9a s LEU 11 CO -0.03 -0.54 0.00 -0.24 -1.89 0.00 0.00 176.35 173.65 2k9a n SER 12 N 5.59 1.47 -4.95 3.68 2.88 -1.26 -5.09 113.62 115.95 2k9a n SER 12 Ca -0.07 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.23 2k9a n SER 12 Cb 0.48 0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 2k9a n SER 12 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 13 N -0.85 3.48 -0.22 0.66 0.40 -1.26 -5.07 117.98 115.12 2k9a s PHE 13 Ca 0.00 0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 56.31 2k9a s PHE 13 Cb 0.00 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 2k9a s PHE 13 CO 0.00 0.31 0.80 -1.54 0.70 0.00 0.00 175.22 175.49 2k9a s SER 14 N -3.73 6.84 0.00 1.36 1.04 -1.26 -4.86 113.70 113.08 2k9a s SER 14 Ca 0.37 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2k9a s SER 14 Cb -0.10 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2k9a s SER 14 CO 0.32 -0.45 0.00 -1.20 0.98 0.00 0.00 173.24 172.88 2k9a n SER 15 N 5.69 1.58 0.00 7.02 7.64 -1.26 -4.71 113.62 129.59 2k9a n SER 15 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.04 2k9a n SER 15 Cb 0.48 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.27 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a n ALA 16 N -2.45 2.20 -0.88 -0.43 0.00 -1.26 -1.66 120.51 116.02 2k9a n ALA 16 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k9a n ALA 16 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2k9a n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k9a n SER 17 N -1.23 0.00 0.00 0.00 2.88 -1.26 -4.84 113.62 109.17 2k9a n SER 17 Ca 0.12 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2k9a n SER 17 Cb 0.16 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2k9a n SER 17 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k9a n ASP 18 N -0.84 0.00 0.23 -3.46 5.75 -1.26 -4.93 116.55 112.04 2k9a n ASP 18 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2k9a n ASP 18 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k9a h ALA 19 N 0.00 -0.61 -0.14 2.12 0.00 -1.92 -2.40 119.26 116.31 2k9a h ALA 19 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 19 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k9a h ALA 19 CO 0.00 -0.64 -0.20 0.93 0.00 0.00 0.00 179.25 179.34 2k9a h GLU 20 N -1.02 0.38 -0.78 0.00 3.07 -1.84 -2.76 114.58 111.63 2k9a h GLU 20 Ca -0.06 -0.22 0.16 0.00 -0.50 0.00 0.00 59.36 58.73 2k9a h GLU 20 Cb 0.57 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.40 2k9a h GLU 20 CO 0.10 0.80 0.30 0.35 -1.40 0.00 0.00 179.01 179.17 2k9a h PHE 21 N -0.02 0.51 -0.34 4.33 3.57 -1.44 0.01 116.94 123.57 2k9a h PHE 21 Ca 0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 21 Cb 0.76 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2k9a h PHE 21 CO 0.09 0.03 0.11 0.22 -2.23 0.00 0.00 178.31 176.54 2k9a h ASP 22 N 0.42 0.49 -0.76 0.41 1.82 -1.41 -2.56 116.42 114.83 2k9a h ASP 22 Ca 0.44 -0.20 0.07 0.00 -0.39 0.00 0.00 57.03 56.96 2k9a h ASP 22 Cb 0.71 -0.13 -0.06 0.00 0.68 0.00 0.00 39.33 40.53 2k9a h ASP 22 CO -0.44 0.55 0.44 0.00 -1.61 0.00 0.00 179.24 178.18 2k9a h ALA 23 N 0.95 1.04 -0.85 -0.78 0.00 -0.80 -1.54 119.26 117.29 2k9a h ALA 23 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k9a h ALA 23 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2k9a h ALA 23 CO -0.00 0.12 0.56 0.28 0.00 0.00 0.00 179.25 180.21 2k9a h VAL 24 N 0.79 1.19 -0.85 0.00 2.07 -0.85 -1.99 116.25 116.61 2k9a h VAL 24 Ca 0.34 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2k9a h VAL 24 Cb 0.23 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 2k9a h VAL 24 CO -0.20 0.20 0.52 0.58 0.02 0.00 0.00 177.57 178.70 2k9a h VAL 25 N 1.12 1.01 0.11 2.57 2.07 -0.89 -1.43 116.25 120.81 2k9a h VAL 25 Ca 0.32 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2k9a h VAL 25 Cb -0.08 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 2k9a h VAL 25 CO -0.09 0.17 -0.10 1.23 0.02 0.00 0.00 177.57 178.80 2k9a h GLY 26 N 0.93 -0.22 0.85 2.17 0.00 -0.98 -1.84 103.07 103.98 2k9a h GLY 26 Ca 0.38 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.89 2k9a h GLY 26 CO -0.19 -0.11 0.59 -0.97 0.00 0.00 0.00 176.54 175.87 2k9a h TYR 27 N -0.23 1.06 -0.83 5.60 0.05 -1.16 -1.70 116.97 119.76 2k9a h TYR 27 Ca 0.00 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.22 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 2k9a h TYR 27 CO -0.11 0.56 0.55 -0.07 -1.05 0.00 0.00 178.16 178.03 2k9a h LEU 28 N 1.05 0.95 -0.53 3.88 3.38 -0.80 -2.20 115.31 121.04 2k9a h LEU 28 Ca 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2k9a h LEU 28 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 28 CO -0.15 0.69 0.29 -0.33 0.09 0.00 0.00 178.44 179.03 2k9a h GLU 29 N 1.12 0.74 -0.24 1.13 5.08 -0.50 -0.70 114.58 121.22 2k9a h GLU 29 Ca 0.30 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2k9a h GLU 29 Cb -0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2k9a h GLU 29 CO -0.07 0.58 0.01 -0.44 -1.00 0.00 0.00 179.01 178.10 2k9a h ASP 30 N 0.71 0.33 -0.02 1.42 3.32 -1.12 -1.09 116.42 119.97 2k9a h ASP 30 Ca 0.19 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 2k9a h ASP 30 Cb 0.05 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2k9a h ASP 30 CO -0.03 0.37 -0.61 0.40 -1.72 0.00 0.00 179.24 177.66 2k9a h ILE 31 N 0.35 1.41 -0.20 0.35 2.04 -0.90 -2.65 117.51 117.89 2k9a h ILE 31 Ca 0.08 -2.04 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 2k9a h ILE 31 Cb 0.21 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2k9a h ILE 31 CO 0.00 0.60 -0.15 0.40 0.00 0.00 0.00 178.15 179.00 2k9a h ILE 32 N -0.03 1.21 -0.49 -0.67 2.04 -0.91 -2.04 117.51 116.62 2k9a h ILE 32 Ca -0.07 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2k9a h ILE 32 Cb 1.30 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2k9a h ILE 32 CO 0.12 0.30 0.00 0.23 0.00 0.00 0.00 178.15 178.80 2k9a n MET 33 N -4.22 3.42 -2.99 2.37 2.81 -0.43 -4.68 117.12 113.39 2k9a n MET 33 Ca -0.00 -2.29 -0.38 0.00 -1.81 0.00 0.00 57.70 53.22 2k9a n MET 33 Cb 0.31 -1.87 -0.06 0.00 -0.71 0.00 0.00 33.22 30.89 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 -0.74 7.26 0.16 7.83 2.15 -0.77 -4.98 116.67 127.58 2k9a s ASP 34 Ca 0.41 1.60 -0.16 0.00 0.43 0.00 0.00 52.55 54.83 2k9a s ASP 34 Cb 0.28 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.47 2k9a s ASP 34 CO 0.17 0.09 1.77 -0.78 -0.17 0.00 0.00 175.17 176.26 2k9a h ASP 35 N 3.78 0.26 0.05 -0.34 3.58 -1.90 -1.48 116.42 120.37 2k9a h ASP 35 Ca -0.47 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 2k9a h ASP 35 Cb 1.20 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k9a h ASP 35 CO 0.66 0.19 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.84 2k9a h GLU 36 N 0.37 0.00 -0.04 0.28 3.07 -1.93 -1.96 114.58 114.37 2k9a h GLU 36 Ca 0.16 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.83 2k9a h GLU 36 Cb 0.09 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2k9a h GLU 36 CO -0.12 0.03 -0.74 0.35 -1.40 0.00 0.00 179.01 177.13 2k9a h PHE 37 N 0.00 0.81 0.23 4.33 3.57 -1.55 -2.55 116.94 121.79 2k9a h PHE 37 Ca -0.00 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k9a h PHE 37 Cb 0.07 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2k9a h PHE 37 CO 0.00 1.23 -0.11 1.96 -2.23 0.00 0.00 178.31 179.16 2k9a h GLN 38 N 0.16 -0.30 -0.41 1.11 1.08 -0.87 -0.68 115.11 115.21 2k9a h GLN 38 Ca -0.08 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2k9a h GLN 38 Cb 1.41 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.87 2k9a h GLN 38 CO 0.15 -0.03 0.22 1.25 -0.95 0.00 0.00 178.83 179.47 2k9a h LEU 39 N -0.54 0.35 -0.79 1.46 6.46 -1.49 -1.96 115.31 118.80 2k9a h LEU 39 Ca -0.03 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2k9a h LEU 39 Cb 0.40 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2k9a h LEU 39 CO 0.05 0.25 0.35 0.25 -0.62 0.00 0.00 178.44 178.72 2k9a h LEU 40 N 0.45 1.05 0.35 2.25 6.46 -1.44 -0.59 115.31 123.84 2k9a h LEU 40 Ca 0.17 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 40 Cb 0.05 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 2k9a h LEU 40 CO -0.10 0.91 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.85 2k9a h GLN 41 N 1.12 -0.45 -0.18 1.25 4.15 -0.68 -2.67 115.11 117.66 2k9a h GLN 41 Ca 0.27 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.64 2k9a h GLN 41 Cb 0.16 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2k9a h GLN 41 CO -0.03 -0.29 -0.22 0.00 -1.93 0.00 0.00 178.83 176.36 2k9a h ARG 42 N -0.49 0.32 -0.15 1.69 3.08 -1.29 -0.91 114.38 116.63 2k9a h ARG 42 Ca -0.05 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2k9a h ARG 42 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k9a h ARG 42 CO 0.08 0.53 0.05 -0.97 -1.07 0.00 0.00 179.97 178.59 2k9a h ASN 43 N 0.29 0.06 0.10 7.04 -0.73 -0.90 -1.11 115.58 120.33 2k9a h ASN 43 Ca 0.05 0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.06 2k9a h ASN 43 Cb 0.56 0.01 0.02 0.00 0.27 0.00 0.00 38.32 39.17 2k9a h ASN 43 CO 0.04 0.06 -0.74 -0.26 -0.37 0.00 0.00 177.43 176.15 2k9a h PHE 44 N 0.12 0.56 -0.14 0.67 -1.00 -1.41 -3.26 116.94 112.48 2k9a h PHE 44 Ca 0.06 -0.37 0.04 0.00 2.81 0.00 0.00 57.97 60.51 2k9a h PHE 44 Cb 0.03 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 2k9a h PHE 44 CO -0.11 1.26 0.18 0.52 -1.61 0.00 0.00 178.31 178.55 2k9a h MET 45 N -0.30 0.00 -0.14 1.51 2.86 -1.15 -0.14 114.93 117.56 2k9a h MET 45 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2k9a h MET 45 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 2k9a h MET 45 CO 0.14 0.00 0.09 0.22 1.06 0.00 0.00 176.91 178.42 2k9a h ASP 46 N 0.00 0.16 0.02 1.22 3.58 -1.24 -0.84 116.42 119.33 2k9a h ASP 46 Ca 0.06 -0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.15 2k9a h ASP 46 Cb 0.42 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 2k9a h ASP 46 CO -0.00 0.12 -1.99 1.17 -2.88 0.00 0.00 179.24 175.66 2k9a n LYS 47 N -4.51 0.62 -0.19 0.28 3.00 -0.13 -4.15 118.16 113.08 2k9a n LYS 47 Ca -0.01 0.35 -0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2k9a n LYS 47 Cb 0.08 -1.62 0.10 0.00 0.00 0.00 0.00 35.03 33.59 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 -0.65 0.34 0.00 5.64 -1.99 -1.31 0.73 116.97 119.74 2k9a h TYR 48 Ca -0.51 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 1.63 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.30 2k9a h TYR 48 CO 0.02 0.07 0.00 0.10 -0.00 0.00 0.00 178.16 178.36 2k9a h TYR 49 N 0.37 0.00 0.16 4.88 -0.00 -1.36 -1.56 116.97 119.46 2k9a h TYR 49 Ca 0.30 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.79 2k9a h TYR 49 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.12 2k9a h TYR 49 CO -0.18 0.00 -1.08 -0.07 -0.00 0.00 0.00 178.16 176.83 2k9a h LEU 50 N 0.00 0.52 -0.58 0.10 3.38 -1.04 -3.34 115.31 114.35 2k9a h LEU 50 Ca 0.00 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 56.92 2k9a h LEU 50 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k9a h LEU 50 CO 0.00 1.51 -0.25 -0.33 0.09 0.00 0.00 178.44 179.46 2k9a h GLU 51 N -0.26 0.87 -5.95 1.13 5.08 -0.96 -3.37 114.58 111.12 2k9a h GLU 51 Ca -0.20 -0.37 -0.57 0.00 -1.00 0.00 0.00 59.36 57.21 2k9a h GLU 51 Cb 1.77 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.91 2k9a h GLU 51 CO 0.16 1.02 1.61 -0.06 -1.00 0.00 0.00 179.01 180.73 2k9a s PHE 52 N -4.59 2.49 0.04 4.33 0.40 -0.62 -4.96 117.98 115.07 2k9a s PHE 52 Ca -0.10 -0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 55.38 2k9a s PHE 52 Cb 0.12 -4.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.01 2k9a s PHE 52 CO 0.85 -1.83 0.18 -1.21 0.70 0.00 0.00 175.22 173.91 2k9a s GLU 53 N 5.06 3.34 -0.84 0.44 2.02 -1.26 -4.80 118.70 122.66 2k9a s GLU 53 Ca 0.52 -0.45 -0.25 0.00 0.02 0.00 0.00 54.97 54.81 2k9a s GLU 53 Cb 0.00 -3.00 0.04 0.00 0.10 0.00 0.00 34.13 31.27 2k9a s GLU 53 CO -0.02 0.62 1.33 0.34 0.02 0.00 0.00 175.26 177.55 2k9a s ASP 54 N -2.30 6.29 0.26 -0.19 2.15 -1.26 -4.94 116.67 116.68 2k9a s ASP 54 Ca 0.32 -0.85 0.06 0.00 0.43 0.00 0.00 52.55 52.50 2k9a s ASP 54 Cb -0.13 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2k9a s ASP 54 CO 0.24 -1.70 0.22 0.35 -0.17 0.00 0.00 175.17 174.12 2k9a n THR 55 N 6.53 0.00 0.81 1.71 -2.24 -1.26 -5.04 114.28 114.78 2k9a n THR 55 Ca 0.14 -1.86 0.12 0.00 -2.27 0.00 0.00 64.05 60.18 2k9a n THR 55 Cb 0.50 0.93 0.22 0.00 -2.10 0.00 0.00 70.33 69.88 2k9a n THR 55 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k9a n GLU 56 N -0.49 2.27 -3.55 -0.78 0.28 -1.26 -4.94 120.64 112.17 2k9a n GLU 56 Ca 0.06 -1.88 -0.28 0.00 -0.16 0.00 0.00 57.16 54.90 2k9a n GLU 56 Cb 0.46 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.78 3.56 -0.19 3.44 2.02 -1.26 -5.10 118.70 119.40 2k9a s GLU 57 Ca 0.34 -0.21 -0.04 0.00 0.02 0.00 0.00 54.97 55.08 2k9a s GLU 57 Cb 0.21 -2.76 0.08 0.00 0.10 0.00 0.00 34.13 31.76 2k9a s GLU 57 CO 0.31 0.32 0.19 1.21 0.02 0.00 0.00 175.26 177.31 2k9a s ASN 58 N -3.18 1.60 0.34 -0.19 2.47 -1.26 -5.11 114.94 109.61 2k9a s ASN 58 Ca 0.41 -0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.44 2k9a s ASN 58 Cb -0.11 0.23 -0.01 0.00 -1.45 0.00 0.00 41.25 39.91 2k9a s ASN 58 CO 0.29 -0.33 0.46 -0.54 -3.72 0.00 0.00 177.10 173.27 2k9a s LYS 59 N 2.28 3.08 0.00 0.43 1.02 -1.26 -5.00 119.74 120.29 2k9a s LYS 59 Ca 0.06 -1.04 0.29 0.00 0.02 0.00 0.00 55.97 55.30 2k9a s LYS 59 Cb -0.16 -2.79 1.33 0.00 -0.52 0.00 0.00 37.83 35.68 2k9a s LYS 59 CO -0.11 0.05 1.97 -0.11 -0.92 0.00 0.00 175.35 176.23 2k9a n LEU 60 N -1.63 0.00 0.19 3.17 7.94 -1.26 -3.57 117.00 121.84 2k9a n LEU 60 Ca 0.00 0.43 0.13 0.00 -1.11 0.00 0.00 56.01 55.47 2k9a n LEU 60 Cb 0.58 -0.43 0.70 0.00 0.53 0.00 0.00 43.42 44.80 2k9a n LEU 60 CO 0.42 0.00 0.90 -0.29 -1.11 0.00 0.00 177.39 177.31 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.02 -1.51 117.51 122.03 2k9a h ILE 61 Ca 0.00 -0.03 -0.04 0.00 -1.37 0.00 0.00 64.86 63.41 2k9a h ILE 61 Cb 0.43 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 2k9a h ILE 61 CO 0.00 0.00 -0.21 1.88 -3.07 0.00 0.00 178.15 176.75 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 0.05 -2.00 -2.79 116.97 114.52 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 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2k9a h TYR 62 CO 0.00 0.21 -0.04 1.15 -1.05 0.00 0.00 178.16 178.43 2k9a h THR 63 N 0.00 1.14 -0.42 -2.88 2.02 -1.56 -2.56 112.91 108.65 2k9a h THR 63 Ca -0.00 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 2k9a h THR 63 Cb 0.67 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2k9a h THR 63 CO 0.03 0.29 0.10 1.55 0.37 0.00 0.00 175.52 177.86 2k9a h PRO 64 N -0.75 0.68 -0.51 6.66 0.13 -1.71 -2.46 132.00 134.03 2k9a h PRO 64 Ca -0.01 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2k9a h PRO 64 Cb 0.57 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.02 0.69 0.32 0.82 -0.23 0.00 0.00 178.00 179.62 2k9a h ILE 65 N 0.55 1.08 -0.44 -3.56 2.04 -1.62 -2.33 117.51 113.24 2k9a h ILE 65 Ca 0.13 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2k9a h ILE 65 Cb 0.31 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2k9a h ILE 65 CO 0.00 0.12 0.27 0.15 0.00 0.00 0.00 178.15 178.69 2k9a h PHE 66 N 0.64 0.51 -0.84 1.37 3.57 -1.36 -2.00 116.94 118.83 2k9a h PHE 66 Ca 0.20 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 66 Cb -0.02 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 2k9a h PHE 66 CO -0.06 0.31 0.54 -0.91 -2.23 0.00 0.00 178.31 175.96 2k9a h ASN 67 N 0.55 0.71 -0.49 0.41 2.35 -1.07 -1.29 115.58 116.75 2k9a h ASN 67 Ca 0.17 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2k9a h ASN 67 Cb -0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2k9a h ASN 67 CO -0.06 0.42 0.21 -0.08 -1.65 0.00 0.00 177.43 176.26 2k9a h GLU 68 N 0.78 0.72 -0.21 0.81 4.57 -0.84 -1.51 114.58 118.91 2k9a h GLU 68 Ca 0.39 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2k9a h GLU 68 Cb 0.45 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2k9a h GLU 68 CO -0.16 0.64 0.14 -0.92 -1.18 0.00 0.00 179.01 177.53 2k9a h TYR 69 N 0.65 0.23 0.30 0.92 3.20 -0.88 0.76 116.97 122.15 2k9a h TYR 69 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 69 Cb 0.17 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2k9a h TYR 69 CO 0.00 0.14 -0.14 0.82 -1.64 0.00 0.00 178.16 177.34 2k9a h ILE 70 N 0.25 0.27 0.00 1.81 1.08 -0.92 0.15 117.51 120.16 2k9a h ILE 70 Ca 0.08 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2k9a h ILE 70 Cb 0.03 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 2k9a h ILE 70 CO -0.02 0.07 -0.04 0.28 -0.69 0.00 0.00 178.15 177.75 2k9a h SER 71 N -1.04 0.00 0.00 1.72 0.02 -1.15 0.11 113.55 113.21 2k9a h SER 71 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k9a h SER 71 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2k9a h SER 71 CO 0.07 0.04 -0.32 -0.11 -1.14 0.00 0.00 176.83 175.37 2k9a n LEU 72 N -3.68 1.05 0.10 5.07 -0.00 0.25 -4.16 117.00 115.62 2k9a n LEU 72 Ca -0.02 0.45 -0.05 0.00 -0.00 0.00 0.00 56.01 56.38 2k9a n LEU 72 Cb 0.14 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 42.83 2k9a n LEU 72 CO 0.28 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 177.92 2k9a h VAL 73 N -0.57 0.00 -0.99 1.96 2.07 -0.76 -2.15 116.25 115.81 2k9a h VAL 73 Ca 0.00 -0.62 0.15 0.00 0.82 0.00 0.00 66.70 67.05 2k9a h VAL 73 Cb 0.32 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.99 2k9a h VAL 73 CO 0.00 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.11 2k9a h GLU 74 N -0.94 0.84 -0.15 1.57 4.81 -0.94 0.69 114.58 120.46 2k9a h GLU 74 Ca -0.03 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2k9a h GLU 74 CO 0.05 0.56 -0.47 -0.22 -0.73 0.00 0.00 179.01 178.20 2k9a h LYS 75 N 0.87 0.39 -0.49 1.92 3.64 -0.96 -2.82 116.57 119.12 2k9a h LYS 75 Ca 0.53 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 2k9a h LYS 75 Cb 0.66 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 2k9a h LYS 75 CO -0.32 0.78 0.24 -0.92 -2.27 0.00 0.00 179.45 176.97 2k9a h TYR 76 N 0.31 0.45 -0.16 1.91 3.20 -0.17 -0.98 116.97 121.53 2k9a h TYR 76 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2k9a h TYR 76 Cb 0.95 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2k9a h TYR 76 CO 0.03 0.22 0.01 0.82 -1.64 0.00 0.00 178.16 177.60 2k9a h ILE 77 N 0.48 1.24 -0.70 1.81 2.04 -1.39 -2.60 117.51 118.40 2k9a h ILE 77 Ca 0.21 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.36 2k9a h ILE 77 Cb 0.13 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2k9a h ILE 77 CO -0.15 0.24 0.38 -0.08 0.00 0.00 0.00 178.15 178.53 2k9a h GLU 78 N 0.04 0.66 -0.13 2.37 4.81 -1.24 -2.08 114.58 119.01 2k9a h GLU 78 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 78 Cb 0.35 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k9a h GLU 78 CO 0.01 0.43 0.07 0.93 -0.73 0.00 0.00 179.01 179.72 2k9a h GLU 79 N 0.68 0.19 -0.19 1.92 4.39 -1.13 -1.81 114.58 118.63 2k9a h GLU 79 Ca 0.33 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.05 2k9a h GLU 79 Cb 0.26 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k9a h GLU 79 CO -0.21 0.23 0.13 1.96 -1.16 0.00 0.00 179.01 179.96 2k9a h GLN 80 N 0.10 0.04 0.02 2.33 1.08 -1.07 -1.16 115.11 116.45 2k9a h GLN 80 Ca 0.05 -0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.02 2k9a h GLN 80 Cb 0.10 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2k9a h GLN 80 CO -0.01 0.03 -0.97 -0.07 -0.95 0.00 0.00 178.83 176.86 2k9a h LEU 81 N 0.04 0.43 -1.19 1.46 3.38 -0.96 -3.21 115.31 115.26 2k9a h LEU 81 Ca 0.09 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2k9a h LEU 81 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2k9a h LEU 81 CO -0.01 1.18 -0.37 -0.07 0.09 0.00 0.00 178.44 179.27 2k9a h LEU 82 N 0.17 0.00 -2.43 1.67 3.38 -0.38 0.18 115.31 117.89 2k9a h LEU 82 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k9a h LEU 82 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2k9a h LEU 82 CO 0.16 0.37 0.00 1.56 0.09 0.00 0.00 178.44 180.62 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.40 -2.67 115.11 113.25 2k9a h GLN 83 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2k9a h GLN 83 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 2k9a h GLN 83 CO 0.05 0.00 -1.19 -2.13 -0.95 0.00 0.00 178.83 174.61 2k9a n ARG 84 N -2.84 2.27 -3.64 1.46 3.00 -0.99 -4.91 116.66 111.01 2k9a n ARG 84 Ca -0.02 -0.01 -0.29 0.00 -0.00 0.00 0.00 57.85 57.52 2k9a n ARG 84 Cb 0.08 -1.08 -0.13 0.00 0.00 0.00 0.00 32.46 31.33 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k9a s ILE 85 N -2.13 1.02 -1.46 5.15 1.01 0.02 -4.96 121.20 119.84 2k9a s ILE 85 Ca -0.01 -2.27 0.09 0.00 0.00 0.00 0.00 60.65 58.46 2k9a s ILE 85 Cb 0.01 -1.72 0.17 0.00 0.01 0.00 0.00 42.46 40.93 2k9a s ILE 85 CO 0.13 -0.92 1.17 -2.65 0.00 0.00 0.00 174.94 172.68 2k9a n PRO 86 N 3.73 0.14 -0.27 2.79 -0.02 -1.16 -1.51 135.00 138.71 2k9a n PRO 86 Ca 0.09 0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2k9a n PRO 86 Cb 0.35 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.52 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k9a n GLU 87 N -1.27 2.56 -2.76 -0.52 1.02 -1.26 -5.03 120.64 113.38 2k9a n GLU 87 Ca 0.05 -2.50 -0.35 0.00 -0.02 0.00 0.00 57.16 54.34 2k9a n GLU 87 Cb 0.07 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -2.30 3.46 -0.32 -0.32 5.36 -0.57 -5.05 117.98 118.25 2k9a s PHE 88 Ca 0.32 1.69 -0.01 0.00 -0.96 0.00 0.00 56.93 57.97 2k9a s PHE 88 Cb 0.25 -2.92 0.10 0.00 -0.34 0.00 0.00 43.02 40.11 2k9a s PHE 88 CO 0.08 -0.05 0.10 1.21 -1.46 0.00 0.00 175.22 175.10 2k9a s ASN 89 N -1.86 4.02 0.42 6.13 3.84 -1.26 -4.99 114.94 121.24 2k9a s ASN 89 Ca 0.57 -1.70 0.09 0.00 0.21 0.00 0.00 52.86 52.02 2k9a s ASN 89 Cb -0.15 -0.88 0.92 0.00 -0.55 0.00 0.00 41.25 40.59 2k9a s ASN 89 CO 0.19 -0.41 2.06 -0.03 -2.79 0.00 0.00 177.10 176.12 2k9a h MET 90 N 8.00 0.47 0.65 0.43 1.85 -1.96 -0.87 114.93 123.51 2k9a h MET 90 Ca -0.13 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 2k9a h MET 90 Cb 1.01 -0.11 0.01 0.00 0.43 0.00 0.00 31.60 32.94 2k9a h MET 90 CO 0.47 0.31 -0.31 0.00 -0.40 0.00 0.00 176.91 176.98 2k9a h ALA 91 N 1.76 -0.88 0.00 0.39 0.00 -2.00 -1.35 119.26 117.18 2k9a h ALA 91 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k9a h ALA 91 Cb 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k9a h ALA 91 CO -0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 179.25 178.01 2k9a h ALA 92 N -0.64 1.15 -0.04 0.00 0.00 -1.96 -2.80 119.26 114.96 2k9a h ALA 92 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k9a h ALA 92 Cb 0.70 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k9a h ALA 92 CO 0.15 0.31 -0.03 0.35 0.00 0.00 0.00 179.25 180.03 2k9a h PHE 93 N 0.00 0.10 -0.33 0.00 3.57 -0.99 -2.42 116.94 116.87 2k9a h PHE 93 Ca -0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 93 Cb 0.64 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2k9a h PHE 93 CO 0.00 0.51 0.13 1.79 -2.23 0.00 0.00 178.31 178.51 2k9a h THR 94 N -0.34 1.19 -0.86 4.41 1.35 -1.19 0.17 112.91 117.63 2k9a h THR 94 Ca 0.01 -0.58 0.05 0.00 -0.55 0.00 0.00 66.41 65.35 2k9a h THR 94 Cb 0.49 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 2k9a h THR 94 CO 0.01 0.20 0.54 0.74 -0.25 0.00 0.00 175.52 176.76 2k9a h THR 95 N 0.39 1.07 0.00 6.82 2.02 -1.55 -1.75 112.91 119.91 2k9a h THR 95 Ca 0.11 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 2k9a h THR 95 Cb 0.19 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2k9a h THR 95 CO -0.01 0.18 -0.79 0.74 0.37 0.00 0.00 175.52 176.02 2k9a h THR 96 N 1.01 1.51 -0.89 3.16 2.02 -1.22 -3.25 112.91 115.26 2k9a h THR 96 Ca 0.37 -2.74 -0.02 0.00 0.77 0.00 0.00 66.41 64.79 2k9a h THR 96 Cb 0.12 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 2k9a h THR 96 CO -0.16 0.77 0.49 0.25 0.37 0.00 0.00 175.52 177.24 2k9a h LEU 97 N 0.00 1.11 -1.72 2.58 6.46 0.21 -2.21 115.31 121.73 2k9a h LEU 97 Ca -0.01 -0.10 0.23 0.00 -0.12 0.00 0.00 57.88 57.89 2k9a h LEU 97 Cb 1.44 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 2k9a h LEU 97 CO 0.10 0.89 0.62 0.06 -0.62 0.00 0.00 178.44 179.48 2k9a h GLN 98 N 1.24 0.21 0.16 1.25 -0.00 -1.46 0.64 115.11 117.15 2k9a h GLN 98 Ca 0.31 -0.01 -0.22 0.00 -0.00 0.00 0.00 58.65 58.73 2k9a h GLN 98 Cb 0.02 -0.05 0.02 0.00 -0.00 0.00 0.00 27.48 27.48 2k9a h GLN 98 CO -0.05 0.14 -0.97 0.45 -0.00 0.00 0.00 178.83 178.40 2k9a h HIS 99 N 0.22 0.61 0.00 0.06 3.86 -1.58 -3.24 115.15 115.07 2k9a h HIS 99 Ca 0.45 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k9a h HIS 99 Cb 1.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2k9a h HIS 99 CO -0.00 1.37 0.00 0.72 0.86 0.00 0.00 177.93 180.88 2k9a n HIS 100 N -4.04 0.00 0.31 2.45 8.25 0.03 -2.66 115.22 119.55 2k9a n HIS 100 Ca -0.15 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.50 2k9a n HIS 100 Cb 0.87 -0.26 1.04 0.00 1.12 0.00 0.00 29.99 32.76 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 -1.06 -0.06 116.57 116.61 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2k9a h LYS 101 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 179.45 179.10 2k9a h ASP 102 N 0.00 0.00 0.00 0.86 3.58 -1.77 -3.29 116.42 115.79 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 -0.51 1.21 -2.88 0.00 0.00 179.24 177.06 2k9a n GLU 103 N -2.38 0.00 -1.69 0.28 4.07 -0.27 -5.08 120.64 115.58 2k9a n GLU 103 Ca -0.01 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.70 2k9a n GLU 103 Cb 0.10 -0.68 0.04 0.00 -0.06 0.00 0.00 31.44 30.83 2k9a n GLU 103 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2k9a n VAL 104 N -2.12 3.52 -1.56 6.31 0.31 -0.20 -4.82 118.33 119.77 2k9a n VAL 104 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 2k9a n VAL 104 Cb 0.26 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k9a n ALA 105 N -1.09 1.46 0.18 3.52 0.00 -1.26 -4.79 120.51 118.52 2k9a n ALA 105 Ca 0.11 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.23 2k9a n ALA 105 Cb 0.44 -2.90 0.40 0.00 0.00 0.00 0.00 19.45 17.40 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 15.40 0.06 0.89 0.00 0.00 -1.87 -2.69 103.07 114.85 2k9a h GLY 106 Ca -0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2k9a h GLY 106 CO 1.02 0.04 0.08 -0.55 0.00 0.00 0.00 176.54 177.12 2k9a h ASP 107 N 0.05 0.27 -0.01 0.19 3.32 -1.99 0.83 116.42 119.08 2k9a h ASP 107 Ca 0.01 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2k9a h ASP 107 Cb 0.50 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2k9a h ASP 107 CO 0.04 0.36 -0.00 0.40 -1.72 0.00 0.00 179.24 178.32 2k9a h ILE 108 N 0.16 1.26 0.00 0.35 2.04 -1.94 -2.99 117.51 116.39 2k9a h ILE 108 Ca 0.06 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2k9a h ILE 108 Cb 0.18 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2k9a h ILE 108 CO -0.01 0.20 -0.16 0.15 0.00 0.00 0.00 178.15 178.33 2k9a h PHE 109 N -0.31 0.00 -1.02 1.37 3.57 -1.49 -2.54 116.94 116.52 2k9a h PHE 109 Ca 0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 2k9a h PHE 109 Cb 0.32 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.97 2k9a h PHE 109 CO 0.04 0.16 0.65 0.22 -2.23 0.00 0.00 178.31 177.15 2k9a h ASP 110 N 0.00 0.49 -0.17 0.41 3.58 -0.67 0.27 116.42 120.34 2k9a h ASP 110 Ca -0.00 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.38 2k9a h ASP 110 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k9a h ASP 110 CO 0.02 0.12 -0.49 -0.03 -2.88 0.00 0.00 179.24 175.97 2k9a h MET 111 N 0.45 0.64 0.00 0.28 4.05 -1.55 -3.04 114.93 115.76 2k9a h MET 111 Ca 0.58 -0.46 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2k9a h MET 111 Cb 1.39 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.26 2k9a h MET 111 CO -0.30 1.08 -0.09 -0.07 0.23 0.00 0.00 176.91 177.75 2k9a h LEU 112 N 0.31 0.00 -1.85 3.39 3.38 -0.72 -2.80 115.31 117.01 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2k9a h LEU 112 CO 0.11 0.09 0.64 -0.07 0.09 0.00 0.00 178.44 179.30 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.51 0.06 115.31 119.91 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k9a h LEU 113 CO 0.01 0.00 0.02 0.35 0.09 0.00 0.00 178.44 178.91 2k9a n THR 114 N -3.79 0.37 0.24 0.22 -2.24 -1.06 -1.73 114.28 106.30 2k9a n THR 114 Ca 0.14 0.11 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 2k9a n THR 114 Cb 0.88 -1.11 0.62 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.26 -3.40 116.94 117.10 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 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2k9a h PHE 115 CO 0.00 0.16 0.00 -2.37 -0.60 0.00 0.00 178.31 175.50 2k9a n THR 116 N -3.97 0.00 -1.79 -1.55 5.66 -0.83 -5.03 114.28 106.77 2k9a n THR 116 Ca -0.02 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.78 2k9a n THR 116 Cb 0.24 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.96 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 -1.38 4.43 0.48 1.09 2.15 -0.70 -4.76 116.67 117.99 2k9a s ASP 117 Ca 0.00 -0.38 0.17 0.00 0.43 0.00 0.00 52.55 52.76 2k9a s ASP 117 Cb 0.00 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.24 2k9a s ASP 117 CO 0.00 -3.42 2.05 0.15 -0.17 0.00 0.00 175.17 173.78 2k9a h PHE 118 N 11.91 0.19 -0.83 -5.34 3.57 -1.89 -1.54 116.94 123.01 2k9a h PHE 118 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2k9a h PHE 118 Cb 1.00 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 2k9a h PHE 118 CO 1.18 0.10 0.48 1.25 -2.23 0.00 0.00 178.31 179.09 2k9a h LEU 119 N 0.19 1.01 -0.41 0.59 5.85 -1.98 -2.00 115.31 118.56 2k9a h LEU 119 Ca 0.16 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 2k9a h LEU 119 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2k9a h LEU 119 CO -0.03 0.79 -0.66 0.00 -0.34 0.00 0.00 178.44 178.21 2k9a h ALA 120 N 1.26 0.73 0.37 1.25 0.00 -1.68 -2.38 119.26 118.80 2k9a h ALA 120 Ca 0.30 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2k9a h ALA 120 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 120 CO -0.05 0.82 -0.18 0.35 0.00 0.00 0.00 179.25 180.19 2k9a h PHE 121 N 0.00 -0.46 -0.38 0.00 3.57 -0.86 -0.74 116.94 118.07 2k9a h PHE 121 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2k9a h PHE 121 Cb 1.32 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 2k9a h PHE 121 CO 0.00 -0.17 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.64 2k9a h LYS 122 N -0.70 0.71 0.00 1.11 3.64 -1.46 -2.65 116.57 117.20 2k9a h LYS 122 Ca -0.05 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2k9a h LYS 122 Cb 0.49 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k9a h LYS 122 CO 0.08 0.83 -0.03 1.49 -2.27 0.00 0.00 179.45 179.55 2k9a h GLU 123 N 0.52 0.00 -0.08 1.90 4.81 -1.44 -1.26 114.58 119.03 2k9a h GLU 123 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2k9a h GLU 123 Cb 0.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k9a h GLU 123 CO 0.03 0.03 -0.12 1.98 -0.73 0.00 0.00 179.01 180.20 2k9a h MET 124 N 0.00 0.22 -0.11 1.92 4.05 -0.78 -2.42 114.93 117.81 2k9a h MET 124 Ca -0.00 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2k9a h MET 124 Cb 0.07 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2k9a h MET 124 CO 0.00 0.70 0.00 0.74 0.23 0.00 0.00 176.91 178.58 2k9a h PHE 125 N -0.23 0.21 -0.97 1.39 0.04 -1.20 -1.83 116.94 114.35 2k9a h PHE 125 Ca 0.01 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.81 2k9a h PHE 125 Cb 0.67 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.70 2k9a h PHE 125 CO 0.10 0.43 0.63 -0.07 -0.60 0.00 0.00 178.31 178.81 2k9a h LEU 126 N -0.07 0.99 -0.58 1.54 4.07 -1.33 0.00 115.31 119.92 2k9a h LEU 126 Ca 0.03 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 2k9a h LEU 126 Cb 0.35 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 2k9a h LEU 126 CO 0.01 0.62 -0.18 -0.78 -1.08 0.00 0.00 178.44 177.03 2k9a h ASP 127 N 1.11 0.95 -0.08 -0.43 1.82 -1.33 -2.54 116.42 115.93 2k9a h ASP 127 Ca 0.43 -0.34 -0.07 0.00 -0.39 0.00 0.00 57.03 56.66 2k9a h ASP 127 Cb 0.21 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 2k9a h ASP 127 CO -0.17 1.11 -0.13 0.22 -1.61 0.00 0.00 179.24 178.66 2k9a h TYR 128 N 0.82 0.44 -0.38 0.28 3.20 -0.38 -2.34 116.97 118.62 2k9a h TYR 128 Ca 0.12 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2k9a h TYR 128 Cb 0.73 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2k9a h TYR 128 CO 0.05 0.54 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.95 2k9a h ARG 129 N 0.38 0.72 -0.04 1.82 2.43 -0.78 -2.93 114.38 115.98 2k9a h ARG 129 Ca 0.07 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 2k9a h ARG 129 Cb 0.47 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2k9a h ARG 129 CO 0.03 0.85 -0.30 0.00 -1.51 0.00 0.00 179.97 179.04 2k9a h ALA 130 N 0.85 1.44 0.00 2.80 0.00 -1.22 -2.30 119.26 120.82 2k9a h ALA 130 Ca 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k9a h ALA 130 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k9a h ALA 130 CO 0.03 0.41 -0.12 1.49 0.00 0.00 0.00 179.25 181.06 2k9a h GLU 131 N 0.06 0.00 -0.10 0.00 4.81 -1.24 -2.66 114.58 115.44 2k9a h GLU 131 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 131 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2k9a h GLU 131 CO 0.04 0.12 0.05 0.87 -0.73 0.00 0.00 179.01 179.36 2k9a h LYS 132 N 0.00 0.15 0.00 1.92 1.79 -1.37 -2.03 116.57 117.02 2k9a h LYS 132 Ca -0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k9a h LYS 132 Cb 0.35 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2k9a h LYS 132 CO 0.02 0.22 0.00 0.39 -1.08 0.00 0.00 179.45 179.00 2k9a n GLU 133 N -4.95 0.99 0.00 3.15 -0.58 -1.09 -4.91 120.64 113.26 2k9a n GLU 133 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2k9a n GLU 133 Cb 0.09 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k9a n GLY 134 N 0.88 2.99 1.39 0.62 0.00 -0.76 -4.65 105.19 105.65 2k9a n GLY 134 Ca 0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k9a n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k9a n ARG 135 N 0.00 0.00 0.00 1.61 0.63 -1.03 -4.63 116.66 113.24 2k9a n ARG 135 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k9a n ARG 135 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53