#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 1.71 -3.60 7.83 9.92 -1.26 -5.09 116.55 126.06 2k9a n ASP 2 Ca 0.00 0.28 -0.13 0.00 -0.53 0.00 0.00 54.79 54.41 2k9a n ASP 2 Cb 0.00 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 39.78 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a s ALA 3 N -2.66 -1.21 1.15 2.24 0.00 -1.26 -5.17 121.76 114.86 2k9a s ALA 3 Ca -0.23 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 2k9a s ALA 3 Cb 0.04 0.40 0.26 0.00 0.00 0.00 0.00 23.12 23.82 2k9a s ALA 3 CO 0.34 -0.50 1.07 -0.48 0.00 0.00 0.00 175.76 176.18 2k9a s LEU 4 N -2.04 0.83 -0.22 0.00 2.34 -1.26 -5.02 118.68 113.31 2k9a s LEU 4 Ca -0.05 1.02 -0.07 0.00 0.06 0.00 0.00 54.13 55.09 2k9a s LEU 4 Cb -0.01 -2.91 -0.11 0.00 -0.56 0.00 0.00 46.19 42.61 2k9a s LEU 4 CO -0.03 -3.92 -0.25 1.21 -1.06 0.00 0.00 176.35 172.30 2k9a n GLU 5 N -4.68 0.48 0.00 1.48 4.07 -1.26 -4.98 120.64 115.76 2k9a n GLU 5 Ca 0.08 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2k9a n GLU 5 Cb 0.58 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k9a n GLY 6 N 1.93 0.00 3.51 8.31 0.00 -1.26 -5.17 105.19 112.50 2k9a n GLY 6 Ca -0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2k9a n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k9a s GLU 7 N 0.00 1.99 0.00 1.61 1.03 -1.26 -5.17 118.70 116.90 2k9a s GLU 7 Ca 0.00 -1.80 0.06 0.00 0.03 0.00 0.00 54.97 53.26 2k9a s GLU 7 Cb 0.00 0.46 -0.03 0.00 -0.80 0.00 0.00 34.13 33.76 2k9a s GLU 7 CO 0.00 -0.83 -0.18 -1.54 -1.33 0.00 0.00 175.26 171.38 2k9a s SER 8 N -3.26 3.77 1.00 0.83 1.04 -1.26 -4.98 113.70 110.84 2k9a s SER 8 Ca 0.30 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 2k9a s SER 8 Cb -0.01 -0.65 0.19 0.00 0.10 0.00 0.00 66.02 65.65 2k9a s SER 8 CO 0.21 0.29 1.08 -0.36 0.98 0.00 0.00 173.24 175.45 2k9a s PHE 9 N -0.82 1.91 0.48 5.02 0.40 -1.26 -4.91 117.98 118.81 2k9a s PHE 9 Ca 0.13 1.23 0.14 0.00 -0.60 0.00 0.00 56.93 57.83 2k9a s PHE 9 Cb -0.10 -3.19 1.14 0.00 0.51 0.00 0.00 43.02 41.38 2k9a s PHE 9 CO 0.03 -2.99 2.10 0.00 0.70 0.00 0.00 175.22 175.06 2k9a h ALA 10 N -1.98 1.88 -2.23 5.36 0.00 -2.08 -3.38 119.26 116.82 2k9a h ALA 10 Ca -0.53 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.68 2k9a h ALA 10 Cb 1.31 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2k9a h ALA 10 CO 0.53 0.10 0.09 -0.51 0.00 0.00 0.00 179.25 179.45 2k9a s LEU 11 N -9.07 4.49 0.12 0.00 1.02 -1.26 -5.05 118.68 108.92 2k9a s LEU 11 Ca -0.05 -0.28 0.03 0.00 0.02 0.00 0.00 54.13 53.84 2k9a s LEU 11 Cb 0.17 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.64 2k9a s LEU 11 CO 0.69 -0.72 0.19 -0.44 0.02 0.00 0.00 176.35 176.09 2k9a s SER 12 N 1.94 5.98 0.55 2.29 0.01 -1.26 -4.99 113.70 118.22 2k9a s SER 12 Ca 0.22 0.08 0.35 0.00 1.31 0.00 0.00 55.95 57.91 2k9a s SER 12 Cb -0.14 -1.72 1.57 0.00 0.21 0.00 0.00 66.02 65.94 2k9a s SER 12 CO 0.18 0.10 2.04 -0.26 0.41 0.00 0.00 173.24 175.71 2k9a h PHE 13 N 2.63 0.00 -3.23 2.43 0.04 -1.97 -3.41 116.94 113.42 2k9a h PHE 13 Ca -0.47 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.73 2k9a h PHE 13 Cb 1.18 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.28 2k9a h PHE 13 CO 0.58 0.00 0.97 -1.54 -0.60 0.00 0.00 178.31 177.72 2k9a s SER 14 N -5.44 6.64 0.00 2.17 1.04 -1.26 -4.64 113.70 112.21 2k9a s SER 14 Ca -0.00 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2k9a s SER 14 Cb 0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2k9a s SER 14 CO 0.50 -1.13 0.00 -1.54 0.98 0.00 0.00 173.24 172.04 2k9a n SER 15 N 7.76 0.00 0.16 7.02 3.41 -1.26 -4.78 113.62 125.93 2k9a n SER 15 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 2k9a n SER 15 Cb 0.47 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.38 1.19 -0.08 7.33 0.00 -1.26 -0.13 120.51 127.17 2k9a n ALA 16 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k9a n ALA 16 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.28 1.97 0.00 0.00 2.88 -1.26 -3.66 113.62 111.27 2k9a n SER 17 Ca -0.01 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 2k9a n SER 17 Cb 0.08 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k9a n ASP 18 N -0.54 0.00 0.20 -3.46 9.92 -0.27 -4.84 116.55 117.57 2k9a n ASP 18 Ca 0.01 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 2k9a n ASP 18 Cb 0.28 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.69 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a h ALA 19 N 1.00 -0.56 -0.22 2.24 0.00 -1.81 -3.04 119.26 116.87 2k9a h ALA 19 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k9a h ALA 19 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k9a h ALA 19 CO 0.00 -0.61 0.15 1.49 0.00 0.00 0.00 179.25 180.28 2k9a h GLU 20 N -0.97 0.12 0.17 0.00 4.81 -0.86 -2.34 114.58 115.51 2k9a h GLU 20 Ca -0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k9a h GLU 20 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2k9a h GLU 20 CO 0.09 0.08 -0.14 0.35 -0.73 0.00 0.00 179.01 178.66 2k9a h PHE 21 N 0.12 -0.37 -0.74 0.92 3.57 -1.36 -1.95 116.94 117.14 2k9a h PHE 21 Ca 0.10 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2k9a h PHE 21 Cb 0.24 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 2k9a h PHE 21 CO -0.00 -0.22 0.49 -0.44 -2.23 0.00 0.00 178.31 175.91 2k9a h ASP 22 N -0.33 0.82 -0.78 0.41 3.32 -1.31 -2.06 116.42 116.50 2k9a h ASP 22 Ca -0.00 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2k9a h ASP 22 Cb 0.30 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2k9a h ASP 22 CO -0.02 0.59 0.49 0.00 -1.72 0.00 0.00 179.24 178.58 2k9a h ALA 23 N 1.55 1.02 -0.44 3.45 0.00 -1.10 -2.20 119.26 121.55 2k9a h ALA 23 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2k9a h ALA 23 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2k9a h ALA 23 CO -0.07 0.30 0.14 0.28 0.00 0.00 0.00 179.25 179.91 2k9a h VAL 24 N 0.96 1.22 -0.83 0.00 2.07 -0.67 -2.49 116.25 116.52 2k9a h VAL 24 Ca 0.31 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 67.22 2k9a h VAL 24 Cb 0.02 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2k9a h VAL 24 CO -0.11 0.26 0.54 0.58 0.02 0.00 0.00 177.57 178.85 2k9a h VAL 25 N 0.56 0.92 -0.23 2.57 2.07 -1.04 -1.20 116.25 119.91 2k9a h VAL 25 Ca 0.14 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2k9a h VAL 25 Cb 0.25 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2k9a h VAL 25 CO -0.01 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.90 2k9a h GLY 26 N 0.73 0.47 1.33 2.17 0.00 -1.01 -2.50 103.07 104.27 2k9a h GLY 26 Ca 0.39 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k9a h GLY 26 CO -0.16 0.35 0.40 -0.97 0.00 0.00 0.00 176.54 176.17 2k9a h TYR 27 N 0.18 0.85 -0.31 5.60 0.05 -0.93 -2.47 116.97 119.95 2k9a h TYR 27 Ca 0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.50 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2k9a h TYR 27 CO 0.05 0.57 0.11 -0.07 -1.05 0.00 0.00 178.16 177.77 2k9a h LEU 28 N 0.90 0.44 -0.77 3.88 3.38 -1.13 -2.88 115.31 119.13 2k9a h LEU 28 Ca 0.24 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2k9a h LEU 28 Cb -0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2k9a h LEU 28 CO -0.05 0.50 0.43 -0.33 0.09 0.00 0.00 178.44 179.08 2k9a h GLU 29 N 0.35 0.73 -0.33 1.13 5.08 -1.00 -0.01 114.58 120.53 2k9a h GLU 29 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2k9a h GLU 29 Cb 0.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2k9a h GLU 29 CO -0.01 0.48 0.22 0.22 -1.00 0.00 0.00 179.01 178.93 2k9a h ASP 30 N 0.75 0.30 0.25 1.42 3.58 -1.28 -1.18 116.42 120.26 2k9a h ASP 30 Ca 0.36 -0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.49 2k9a h ASP 30 Cb 0.29 -0.07 0.03 0.00 1.72 0.00 0.00 39.33 41.30 2k9a h ASP 30 CO -0.22 0.21 -1.33 0.40 -2.88 0.00 0.00 179.24 175.41 2k9a h ILE 31 N 0.35 1.31 -0.34 2.25 2.04 -0.88 -2.83 117.51 119.41 2k9a h ILE 31 Ca 0.13 -2.63 -0.06 0.00 1.00 0.00 0.00 64.86 63.30 2k9a h ILE 31 Cb 0.10 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2k9a h ILE 31 CO -0.03 0.79 -0.06 0.40 0.00 0.00 0.00 178.15 179.25 2k9a h ILE 32 N 0.20 1.22 -0.29 -0.67 2.04 -0.51 -2.02 117.51 117.49 2k9a h ILE 32 Ca -0.21 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2k9a h ILE 32 Cb 2.02 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2k9a h ILE 32 CO 0.25 0.32 0.00 0.23 0.00 0.00 0.00 178.15 178.94 2k9a n MET 33 N -4.23 1.94 -2.47 2.37 2.81 -0.50 -4.73 117.12 112.31 2k9a n MET 33 Ca 0.01 -1.43 -0.42 0.00 -1.81 0.00 0.00 57.70 54.05 2k9a n MET 33 Cb 0.29 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.37 7.16 0.11 7.83 -1.08 -0.76 -4.95 116.67 123.62 2k9a s ASP 34 Ca 0.32 2.02 -0.23 0.00 -0.52 0.00 0.00 52.55 54.14 2k9a s ASP 34 Cb 0.17 -2.59 -0.07 0.00 -1.46 0.00 0.00 42.92 38.97 2k9a s ASP 34 CO 0.25 -0.37 1.69 0.44 0.52 0.00 0.00 175.17 177.70 2k9a h ASP 35 N 6.16 -0.35 -0.10 -0.34 5.19 -1.90 -1.35 116.42 123.73 2k9a h ASP 35 Ca -0.43 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.07 2k9a h ASP 35 Cb 1.21 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 2k9a h ASP 35 CO 0.77 -0.17 0.10 -0.08 -3.12 0.00 0.00 179.24 176.74 2k9a h GLU 36 N -0.19 0.00 -0.08 3.56 4.81 -1.94 -1.51 114.58 119.22 2k9a h GLU 36 Ca 0.05 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 2k9a h GLU 36 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k9a h GLU 36 CO -0.13 0.00 -0.90 0.35 -0.73 0.00 0.00 179.01 177.60 2k9a h PHE 37 N 0.00 1.05 -0.22 0.92 3.57 -1.53 -2.65 116.94 118.07 2k9a h PHE 37 Ca 0.05 -0.51 -0.11 0.00 3.53 0.00 0.00 57.97 60.92 2k9a h PHE 37 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2k9a h PHE 37 CO 0.00 1.35 -0.34 1.96 -2.23 0.00 0.00 178.31 179.05 2k9a h GLN 38 N 0.47 0.47 -0.28 1.11 4.20 -0.62 -2.40 115.11 118.07 2k9a h GLN 38 Ca -0.09 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 2k9a h GLN 38 Cb 1.54 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 2k9a h GLN 38 CO 0.18 0.75 -0.20 1.25 -0.67 0.00 0.00 178.83 180.15 2k9a h LEU 39 N 0.40 0.65 0.20 1.46 5.85 -1.43 -1.79 115.31 120.65 2k9a h LEU 39 Ca 0.05 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2k9a h LEU 39 Cb 0.78 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k9a h LEU 39 CO 0.06 0.95 -0.09 0.25 -0.34 0.00 0.00 178.44 179.27 2k9a h LEU 40 N 0.35 -0.22 -0.08 2.25 6.46 -1.40 0.18 115.31 122.85 2k9a h LEU 40 Ca 0.05 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2k9a h LEU 40 Cb 0.74 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2k9a h LEU 40 CO 0.05 -0.05 0.03 -0.61 -0.62 0.00 0.00 178.44 177.24 2k9a h GLN 41 N -0.38 0.07 -0.70 1.25 4.15 -1.49 -2.66 115.11 115.36 2k9a h GLN 41 Ca -0.03 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2k9a h GLN 41 Cb 0.30 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 2k9a h GLN 41 CO 0.04 0.05 0.34 -0.09 -1.93 0.00 0.00 178.83 177.24 2k9a h ARG 42 N 0.07 0.99 -0.30 1.69 2.43 -1.30 -0.87 114.38 117.08 2k9a h ARG 42 Ca 0.03 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2k9a h ARG 42 Cb 0.01 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 2k9a h ARG 42 CO -0.03 0.76 0.08 -0.97 -1.51 0.00 0.00 179.97 178.30 2k9a h ASN 43 N 0.99 0.05 0.15 -3.80 -0.73 -0.62 -1.91 115.58 109.72 2k9a h ASN 43 Ca 0.24 0.04 -0.22 0.00 1.87 0.00 0.00 56.30 58.23 2k9a h ASN 43 Cb 0.10 0.05 0.01 0.00 0.27 0.00 0.00 38.32 38.74 2k9a h ASN 43 CO -0.03 0.07 -0.88 -0.26 -0.37 0.00 0.00 177.43 175.95 2k9a h PHE 44 N 0.20 0.78 -0.03 0.67 -1.00 -1.29 -3.15 116.94 113.12 2k9a h PHE 44 Ca 0.14 -0.39 0.01 0.00 2.81 0.00 0.00 57.97 60.54 2k9a h PHE 44 Cb 0.13 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 2k9a h PHE 44 CO -0.16 1.20 0.03 0.52 -1.61 0.00 0.00 178.31 178.29 2k9a h MET 45 N 0.34 0.00 -0.11 1.51 2.86 -0.88 -0.89 114.93 117.76 2k9a h MET 45 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2k9a h MET 45 Cb 1.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 2k9a h MET 45 CO 0.16 0.00 0.03 0.22 1.06 0.00 0.00 176.91 178.38 2k9a h ASP 46 N 0.00 0.13 0.03 1.22 1.82 -1.30 -1.67 116.42 116.65 2k9a h ASP 46 Ca 0.01 -0.01 -0.38 0.00 -0.39 0.00 0.00 57.03 56.26 2k9a h ASP 46 Cb 0.07 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 2k9a h ASP 46 CO -0.00 0.13 -2.25 0.29 -1.61 0.00 0.00 179.24 175.81 2k9a n LYS 47 N -4.48 0.65 -0.09 0.28 4.76 -0.44 -4.28 118.16 114.56 2k9a n LYS 47 Ca -0.01 0.25 -0.06 0.00 -2.87 0.00 0.00 58.31 55.62 2k9a n LYS 47 Cb 0.12 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2k9a h TYR 48 N -0.34 -0.09 0.00 2.13 -1.99 -1.22 -0.51 116.97 114.95 2k9a h TYR 48 Ca -0.55 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.21 2k9a h TYR 48 Cb 1.79 0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.61 2k9a h TYR 48 CO 0.02 -0.10 0.00 0.10 -0.00 0.00 0.00 178.16 178.19 2k9a h TYR 49 N 0.05 0.00 0.06 4.88 -0.00 -1.53 -0.69 116.97 119.74 2k9a h TYR 49 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.77 2k9a h TYR 49 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.96 2k9a h TYR 49 CO -0.26 0.00 -0.47 -0.07 -0.00 0.00 0.00 178.16 177.36 2k9a h LEU 50 N 0.00 0.31 -0.87 0.10 3.38 -1.28 -3.31 115.31 113.63 2k9a h LEU 50 Ca 0.00 -0.91 -0.12 0.00 0.09 0.00 0.00 57.88 56.94 2k9a h LEU 50 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 50 CO 0.00 1.19 -0.56 -0.33 0.09 0.00 0.00 178.44 178.82 2k9a h GLU 51 N -0.53 0.01 -5.92 1.13 3.07 -1.04 -3.39 114.58 107.91 2k9a h GLU 51 Ca -0.08 -0.01 -0.52 0.00 -0.50 0.00 0.00 59.36 58.26 2k9a h GLU 51 Cb 1.32 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.15 2k9a h GLU 51 CO 0.09 0.57 1.39 -0.06 -1.40 0.00 0.00 179.01 179.60 2k9a s PHE 52 N -3.74 2.35 0.50 4.33 0.40 -0.32 -4.97 117.98 116.53 2k9a s PHE 52 Ca -0.02 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 2k9a s PHE 52 Cb 0.13 -4.49 -0.05 0.00 0.51 0.00 0.00 43.02 39.12 2k9a s PHE 52 CO 0.76 -1.81 0.88 -1.21 0.70 0.00 0.00 175.22 174.53 2k9a s GLU 53 N 5.47 3.68 0.00 0.44 2.02 -1.26 -4.84 118.70 124.21 2k9a s GLU 53 Ca 0.55 0.53 0.07 0.00 0.02 0.00 0.00 54.97 56.14 2k9a s GLU 53 Cb -0.01 -2.26 0.40 0.00 0.10 0.00 0.00 34.13 32.36 2k9a s GLU 53 CO -0.03 -0.27 1.22 -0.40 0.02 0.00 0.00 175.26 175.79 2k9a n ASP 54 N -2.05 0.00 -4.77 -0.19 5.68 -1.26 -4.87 116.55 109.09 2k9a n ASP 54 Ca 0.03 -1.69 -0.36 0.00 -0.50 0.00 0.00 54.79 52.27 2k9a n ASP 54 Cb 0.54 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.53 2k9a n ASP 54 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2k9a s THR 55 N -2.00 2.95 0.04 2.12 -4.23 -1.26 -4.95 115.64 108.32 2k9a s THR 55 Ca 0.10 0.61 0.12 0.00 -1.18 0.00 0.00 61.69 61.35 2k9a s THR 55 Cb 0.05 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 2k9a s THR 55 CO 0.08 -0.11 1.45 -0.33 -0.54 0.00 0.00 174.62 175.17 2k9a h GLU 56 N 1.23 0.00 -6.62 3.99 4.39 -2.06 -3.45 114.58 112.06 2k9a h GLU 56 Ca -0.50 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.67 2k9a h GLU 56 Cb 1.27 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.95 2k9a h GLU 56 CO 0.57 0.68 0.66 -2.00 -1.16 0.00 0.00 179.01 177.75 2k9a s GLU 57 N -3.04 4.38 0.19 2.33 2.12 -1.26 -5.03 118.70 118.39 2k9a s GLU 57 Ca 0.02 2.02 0.02 0.00 0.36 0.00 0.00 54.97 57.39 2k9a s GLU 57 Cb 0.09 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2k9a s GLU 57 CO 0.76 -0.29 0.33 -0.80 -0.54 0.00 0.00 175.26 174.73 2k9a s ASN 58 N 0.60 6.35 0.27 -1.70 0.02 -1.26 -5.07 114.94 114.15 2k9a s ASN 58 Ca 0.59 0.22 0.03 0.00 -1.02 0.00 0.00 52.86 52.68 2k9a s ASN 58 Cb -0.36 -1.93 -0.06 0.00 0.02 0.00 0.00 41.25 38.93 2k9a s ASN 58 CO 0.35 -0.01 0.04 -0.54 0.02 0.00 0.00 177.10 176.96 2k9a s LYS 59 N -3.43 1.47 0.12 -0.60 1.02 -1.26 -5.04 119.74 112.04 2k9a s LYS 59 Ca 0.36 -1.78 0.27 0.00 0.02 0.00 0.00 55.97 54.83 2k9a s LYS 59 Cb -0.11 -0.65 0.97 0.00 -0.52 0.00 0.00 37.83 37.52 2k9a s LYS 59 CO 0.29 -0.17 1.83 1.28 -0.92 0.00 0.00 175.35 177.66 2k9a n LEU 60 N -0.53 0.49 0.30 3.17 4.32 -1.26 -3.35 117.00 120.14 2k9a n LEU 60 Ca -0.03 0.54 0.18 0.00 -0.02 0.00 0.00 56.01 56.67 2k9a n LEU 60 Cb 0.65 -0.39 0.90 0.00 -1.62 0.00 0.00 43.42 42.97 2k9a n LEU 60 CO 0.39 -0.11 1.06 -0.29 -1.22 0.00 0.00 177.39 177.23 2k9a h ILE 61 N 0.00 0.20 0.00 -0.08 6.09 -2.02 -1.37 117.51 120.33 2k9a h ILE 61 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2k9a h ILE 61 Cb 0.64 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.19 2k9a h ILE 61 CO 0.00 0.04 0.00 -1.22 -3.07 0.00 0.00 178.15 173.90 2k9a n TYR 62 N -3.29 0.72 -0.02 2.19 4.02 -1.21 -2.62 117.16 116.95 2k9a n TYR 62 Ca -0.02 0.26 -0.11 0.00 -0.01 0.00 0.00 57.90 58.03 2k9a n TYR 62 Cb 0.19 -0.93 -0.09 0.00 -0.02 0.00 0.00 39.34 38.50 2k9a n TYR 62 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2k9a h THR 63 N 0.00 1.16 -0.42 -0.72 2.02 -1.49 -2.51 112.91 110.95 2k9a h THR 63 Ca 0.00 -1.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.50 2k9a h THR 63 Cb 0.43 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2k9a h THR 63 CO 0.00 0.35 -0.17 1.55 0.37 0.00 0.00 175.52 177.62 2k9a h PRO 64 N -0.89 0.80 -0.37 6.66 0.13 -1.70 -2.13 132.00 134.51 2k9a h PRO 64 Ca -0.01 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2k9a h PRO 64 Cb 0.63 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2k9a h PRO 64 CO 0.01 0.91 0.14 0.82 -0.23 0.00 0.00 178.00 179.65 2k9a h ILE 65 N 0.71 1.20 -0.37 -3.56 2.04 -1.63 -2.17 117.51 113.73 2k9a h ILE 65 Ca 0.11 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2k9a h ILE 65 Cb 0.67 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2k9a h ILE 65 CO 0.05 0.22 0.17 0.15 0.00 0.00 0.00 178.15 178.74 2k9a h PHE 66 N 0.44 0.53 -0.36 1.37 3.57 -1.37 -2.35 116.94 118.79 2k9a h PHE 66 Ca 0.12 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2k9a h PHE 66 Cb 0.21 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2k9a h PHE 66 CO 0.00 0.46 0.24 -0.91 -2.23 0.00 0.00 178.31 175.88 2k9a h ASN 67 N 0.45 0.25 -0.13 0.41 2.35 -1.26 -1.06 115.58 116.59 2k9a h ASN 67 Ca 0.12 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 2k9a h ASN 67 Cb 0.14 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2k9a h ASN 67 CO -0.01 0.17 -0.49 -0.08 -1.65 0.00 0.00 177.43 175.37 2k9a h GLU 68 N 0.29 0.70 -0.38 0.81 4.81 -0.89 -2.03 114.58 117.88 2k9a h GLU 68 Ca 0.15 -0.41 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 2k9a h GLU 68 Cb 0.25 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k9a h GLU 68 CO -0.03 1.02 -0.26 -0.92 -0.73 0.00 0.00 179.01 178.09 2k9a h TYR 69 N 0.55 0.91 0.00 0.92 5.03 -0.76 0.21 116.97 123.83 2k9a h TYR 69 Ca 0.03 -0.22 -0.13 0.00 2.58 0.00 0.00 58.73 60.98 2k9a h TYR 69 Cb 1.04 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 2k9a h TYR 69 CO 0.05 0.96 -0.63 0.82 -1.32 0.00 0.00 178.16 178.04 2k9a h ILE 70 N 0.68 1.38 0.00 1.81 1.08 -1.27 0.04 117.51 121.23 2k9a h ILE 70 Ca 0.09 -2.23 -0.19 0.00 -0.39 0.00 0.00 64.86 62.13 2k9a h ILE 70 Cb 0.79 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.73 2k9a h ILE 70 CO 0.06 0.62 -1.40 0.28 -0.69 0.00 0.00 178.15 177.03 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.22 -2.74 113.55 111.33 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 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2k9a h SER 71 CO 0.08 0.69 -0.39 -0.11 -1.14 0.00 0.00 176.83 175.96 2k9a n LEU 72 N -2.97 1.33 0.12 5.07 -0.00 0.73 -4.15 117.00 117.14 2k9a n LEU 72 Ca -0.10 0.52 -0.06 0.00 -0.00 0.00 0.00 56.01 56.37 2k9a n LEU 72 Cb 0.89 -0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 43.51 2k9a n LEU 72 CO 0.43 -0.47 0.18 0.58 -0.00 0.00 0.00 177.39 178.11 2k9a h VAL 73 N -0.73 0.00 -0.68 1.96 2.07 -1.18 -2.27 116.25 115.42 2k9a h VAL 73 Ca 0.00 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.09 2k9a h VAL 73 Cb 0.39 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 2k9a h VAL 73 CO 0.00 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.79 2k9a h GLU 74 N -0.92 0.45 -0.51 1.57 4.81 -1.55 -0.43 114.58 117.99 2k9a h GLU 74 Ca -0.04 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2k9a h GLU 74 Cb 0.29 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2k9a h GLU 74 CO 0.06 0.30 0.05 -0.22 -0.73 0.00 0.00 179.01 178.47 2k9a h LYS 75 N 0.46 0.83 -0.32 1.92 3.64 -1.61 -2.67 116.57 118.82 2k9a h LYS 75 Ca 0.35 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2k9a h LYS 75 Cb 0.46 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2k9a h LYS 75 CO -0.33 0.80 0.12 -0.92 -2.27 0.00 0.00 179.45 176.85 2k9a h TYR 76 N 0.79 0.22 -0.84 1.91 3.20 -0.47 -1.33 116.97 120.45 2k9a h TYR 76 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2k9a h TYR 76 Cb 0.40 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2k9a h TYR 76 CO 0.02 0.10 0.43 0.82 -1.64 0.00 0.00 178.16 177.89 2k9a h ILE 77 N 0.27 1.25 -0.23 1.81 2.04 -1.24 -2.09 117.51 119.32 2k9a h ILE 77 Ca 0.14 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 2k9a h ILE 77 Cb 0.10 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2k9a h ILE 77 CO -0.13 0.30 0.14 -0.08 0.00 0.00 0.00 178.15 178.38 2k9a h GLU 78 N 1.19 0.32 -0.62 2.37 4.81 -1.09 -2.38 114.58 119.17 2k9a h GLU 78 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2k9a h GLU 78 Cb 0.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2k9a h GLU 78 CO -0.04 0.25 0.33 0.93 -0.73 0.00 0.00 179.01 179.75 2k9a h GLU 79 N 0.29 0.88 -0.75 1.92 4.39 -1.06 -0.75 114.58 119.50 2k9a h GLU 79 Ca 0.08 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2k9a h GLU 79 Cb 0.01 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 2k9a h GLU 79 CO -0.02 0.68 0.49 1.96 -1.16 0.00 0.00 179.01 180.96 2k9a h GLN 80 N 0.85 0.86 0.04 2.33 1.08 -1.18 -1.80 115.11 117.29 2k9a h GLN 80 Ca 0.22 -0.05 -0.23 0.00 -1.45 0.00 0.00 58.65 57.14 2k9a h GLN 80 Cb 0.06 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2k9a h GLN 80 CO -0.03 0.57 -1.01 -0.07 -0.95 0.00 0.00 178.83 177.33 2k9a h LEU 81 N 0.88 0.36 -1.71 1.46 3.38 -0.99 -3.18 115.31 115.51 2k9a h LEU 81 Ca 0.31 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2k9a h LEU 81 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k9a h LEU 81 CO -0.09 1.17 -0.13 -0.07 0.09 0.00 0.00 178.44 179.41 2k9a h LEU 82 N 0.12 0.00 -2.18 1.67 3.38 -0.38 -0.02 115.31 117.90 2k9a h LEU 82 Ca -0.08 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2k9a h LEU 82 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2k9a h LEU 82 CO 0.16 0.13 0.24 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 4.20 -1.33 -2.95 115.11 116.16 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 83 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2k9a h GLN 83 CO 0.02 0.00 -0.95 0.54 -0.67 0.00 0.00 178.83 177.77 2k9a n ARG 84 N -3.81 1.99 -3.76 1.46 1.74 -1.01 -4.90 116.66 108.36 2k9a n ARG 84 Ca 0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 2k9a n ARG 84 Cb 0.37 -0.97 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.92 1.97 -1.68 0.55 1.01 -0.05 -4.94 121.20 116.14 2k9a s ILE 85 Ca 0.00 -3.36 0.09 0.00 0.00 0.00 0.00 60.65 57.38 2k9a s ILE 85 Cb 0.00 -2.33 0.20 0.00 0.01 0.00 0.00 42.46 40.34 2k9a s ILE 85 CO 0.00 -0.99 1.08 -2.65 0.00 0.00 0.00 174.94 172.38 2k9a n PRO 86 N 2.74 0.19 -0.30 2.79 -0.02 -1.18 -1.46 135.00 137.75 2k9a n PRO 86 Ca 0.16 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 2k9a n PRO 86 Cb 0.37 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.16 2.69 -3.05 -0.52 1.02 -1.26 -5.02 120.64 113.34 2k9a n GLU 87 Ca 0.05 -2.53 -0.34 0.00 -0.02 0.00 0.00 57.16 54.32 2k9a n GLU 87 Cb 0.05 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.29 3.47 -0.18 -0.32 2.19 -0.54 -5.07 117.98 115.25 2k9a s PHE 88 Ca 0.34 1.38 -0.03 0.00 0.33 0.00 0.00 56.93 58.94 2k9a s PHE 88 Cb 0.26 -2.64 0.06 0.00 -1.31 0.00 0.00 43.02 39.38 2k9a s PHE 88 CO 0.09 0.14 0.05 1.21 1.83 0.00 0.00 175.22 178.54 2k9a s ASN 89 N -2.02 2.61 0.49 6.13 3.04 -1.26 -4.98 114.94 118.94 2k9a s ASN 89 Ca 0.52 -0.69 0.22 0.00 0.04 0.00 0.00 52.86 52.95 2k9a s ASN 89 Cb -0.13 -0.47 1.26 0.00 -1.54 0.00 0.00 41.25 40.38 2k9a s ASN 89 CO 0.18 -0.31 2.03 0.24 -3.04 0.00 0.00 177.10 176.20 2k9a h MET 90 N 8.31 0.00 0.55 0.43 2.86 -1.97 -0.90 114.93 124.21 2k9a h MET 90 Ca -0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2k9a h MET 90 Cb 1.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.80 2k9a h MET 90 CO 0.31 0.16 -0.27 0.00 1.06 0.00 0.00 176.91 178.17 2k9a h ALA 91 N 1.84 -0.74 -0.13 6.32 0.00 -1.99 -1.66 119.26 122.89 2k9a h ALA 91 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 91 Cb 0.35 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k9a h ALA 91 CO 0.02 -0.76 -0.34 0.00 0.00 0.00 0.00 179.25 178.17 2k9a h ALA 92 N -0.85 1.18 0.09 0.00 0.00 -1.98 -2.61 119.26 115.10 2k9a h ALA 92 Ca -0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k9a h ALA 92 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k9a h ALA 92 CO 0.12 0.54 -0.04 0.35 0.00 0.00 0.00 179.25 180.22 2k9a h PHE 93 N 0.23 -0.11 -0.67 0.00 3.57 -1.18 -2.57 116.94 116.20 2k9a h PHE 93 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 93 Cb 0.71 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2k9a h PHE 93 CO 0.01 0.11 0.31 1.79 -2.23 0.00 0.00 178.31 178.31 2k9a h THR 94 N -0.33 1.22 -0.20 4.41 1.35 -1.27 0.08 112.91 118.17 2k9a h THR 94 Ca -0.01 -0.63 0.03 0.00 -0.55 0.00 0.00 66.41 65.24 2k9a h THR 94 Cb 0.28 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.04 2k9a h THR 94 CO 0.02 0.26 0.03 0.74 -0.25 0.00 0.00 175.52 176.33 2k9a h THR 95 N 0.96 0.90 0.00 6.82 2.02 -1.35 -1.97 112.91 120.29 2k9a h THR 95 Ca 0.23 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 2k9a h THR 95 Cb 0.11 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2k9a h THR 95 CO -0.03 0.02 -0.62 0.74 0.37 0.00 0.00 175.52 176.01 2k9a h THR 96 N 0.11 1.37 -0.63 3.16 2.02 -1.23 -3.15 112.91 114.57 2k9a h THR 96 Ca 0.09 -2.16 -0.02 0.00 0.77 0.00 0.00 66.41 65.09 2k9a h THR 96 Cb 0.09 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 2k9a h THR 96 CO -0.13 0.60 0.32 0.25 0.37 0.00 0.00 175.52 176.94 2k9a h LEU 97 N 0.00 0.79 -0.92 2.58 6.46 -0.39 -2.22 115.31 121.62 2k9a h LEU 97 Ca -0.01 -0.07 0.18 0.00 -0.12 0.00 0.00 57.88 57.86 2k9a h LEU 97 Cb 1.14 -0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.76 2k9a h LEU 97 CO 0.08 0.65 0.50 1.56 -0.62 0.00 0.00 178.44 180.61 2k9a h GLN 98 N 0.89 0.62 0.13 1.25 4.20 -1.33 0.28 115.11 121.15 2k9a h GLN 98 Ca 0.22 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.62 2k9a h GLN 98 Cb 0.06 -0.14 0.03 0.00 0.30 0.00 0.00 27.48 27.73 2k9a h GLN 98 CO -0.03 0.41 -1.15 0.45 -0.67 0.00 0.00 178.83 177.83 2k9a h HIS 99 N 0.64 0.92 0.00 2.96 3.86 -1.64 -3.15 115.15 118.74 2k9a h HIS 99 Ca 0.53 -0.59 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2k9a h HIS 99 Cb 0.82 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2k9a h HIS 99 CO -0.07 1.44 0.00 0.72 0.86 0.00 0.00 177.93 180.88 2k9a n HIS 100 N -3.87 0.00 0.28 2.45 8.25 -0.41 -2.64 115.22 119.27 2k9a n HIS 100 Ca -0.14 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.48 2k9a n HIS 100 Cb 0.95 -0.14 0.78 0.00 1.12 0.00 0.00 29.99 32.70 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 3.64 -0.46 -0.07 116.57 119.27 2k9a h LYS 101 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2k9a h LYS 101 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2k9a h LYS 101 CO 0.00 0.00 -0.24 0.22 -2.27 0.00 0.00 179.45 177.16 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 1.82 -1.75 -3.38 116.42 117.31 2k9a h ASP 102 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2k9a h ASP 102 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2k9a h ASP 102 CO 0.00 0.24 -1.07 -0.62 -1.61 0.00 0.00 179.24 176.18 2k9a n GLU 103 N -3.21 0.49 -0.62 0.28 -0.58 -0.22 -5.02 120.64 111.77 2k9a n GLU 103 Ca 0.02 0.20 -0.30 0.00 -0.42 0.00 0.00 57.16 56.66 2k9a n GLU 103 Cb 0.57 -1.36 0.19 0.00 -0.57 0.00 0.00 31.44 30.27 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2k9a n VAL 104 N -4.36 0.00 -1.63 2.62 3.14 -0.21 -4.83 118.33 113.05 2k9a n VAL 104 Ca -0.17 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 60.67 2k9a n VAL 104 Cb 0.52 -0.99 -0.03 0.00 -1.06 0.00 0.00 33.84 32.28 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a s ALA 105 N -2.58 2.70 0.38 1.55 0.00 -1.26 -4.81 121.76 117.74 2k9a s ALA 105 Ca 0.67 0.72 0.11 0.00 0.00 0.00 0.00 51.96 53.46 2k9a s ALA 105 Cb -0.24 -4.08 0.76 0.00 0.00 0.00 0.00 23.12 19.56 2k9a s ALA 105 CO 0.60 -2.84 1.87 0.78 0.00 0.00 0.00 175.76 176.16 2k9a h GLY 106 N 15.16 0.11 1.04 0.00 0.00 -1.88 -2.71 103.07 114.79 2k9a h GLY 106 Ca -0.40 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2k9a h GLY 106 CO 0.97 0.07 0.13 -1.80 0.00 0.00 0.00 176.54 175.92 2k9a h ASP 107 N 0.10 1.00 0.01 0.19 3.58 -1.96 0.31 116.42 119.64 2k9a h ASP 107 Ca 0.01 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 2k9a h ASP 107 Cb 0.53 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k9a h ASP 107 CO 0.04 0.99 -0.00 0.40 -2.88 0.00 0.00 179.24 177.78 2k9a h ILE 108 N 0.96 1.34 0.00 2.25 2.04 -1.91 -3.13 117.51 119.06 2k9a h ILE 108 Ca 0.20 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 2k9a h ILE 108 Cb 0.40 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2k9a h ILE 108 CO 0.01 0.27 -0.22 0.15 0.00 0.00 0.00 178.15 178.36 2k9a h PHE 109 N -0.46 0.00 -1.12 1.37 3.57 -1.48 -2.72 116.94 116.10 2k9a h PHE 109 Ca -0.00 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.45 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 2k9a h PHE 109 CO 0.08 0.22 0.79 0.22 -2.23 0.00 0.00 178.31 177.40 2k9a h ASP 110 N 0.00 0.08 -0.02 0.41 3.58 -0.86 0.26 116.42 119.88 2k9a h ASP 110 Ca -0.00 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 110 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2k9a h ASP 110 CO 0.03 0.01 -0.06 -0.03 -2.88 0.00 0.00 179.24 176.31 2k9a h MET 111 N 0.07 0.07 0.00 0.28 4.05 -1.61 -3.17 114.93 114.63 2k9a h MET 111 Ca 0.55 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.91 2k9a h MET 111 Cb 2.06 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.87 2k9a h MET 111 CO -0.06 0.68 -0.06 -0.07 0.23 0.00 0.00 176.91 177.63 2k9a h LEU 112 N -0.52 0.00 -1.84 3.39 3.38 -0.77 -2.84 115.31 116.11 2k9a h LEU 112 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2k9a h LEU 112 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2k9a h LEU 112 CO 0.01 0.06 0.67 -0.07 0.09 0.00 0.00 178.44 179.20 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.67 -0.25 115.31 119.44 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k9a h LEU 113 CO 0.01 0.00 0.09 0.35 0.09 0.00 0.00 178.44 178.97 2k9a n THR 114 N -3.79 0.84 0.00 0.22 -2.24 -1.07 -0.95 114.28 107.29 2k9a n THR 114 Ca 0.15 0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 62.22 2k9a n THR 114 Cb 0.93 -1.30 0.28 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.54 0.00 4.78 0.04 -1.32 -3.38 116.94 117.59 2k9a h PHE 115 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 115 Cb 0.17 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2k9a h PHE 115 CO 0.00 0.56 -0.08 0.25 -0.60 0.00 0.00 178.31 178.44 2k9a n THR 116 N -4.25 0.00 -2.18 -1.55 -2.24 -0.65 -4.96 114.28 98.45 2k9a n THR 116 Ca 0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 2k9a n THR 116 Cb 0.27 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2k9a n THR 116 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k9a n ASP 117 N -0.33 3.93 0.20 3.42 9.92 -0.12 -4.74 116.55 128.82 2k9a n ASP 117 Ca 0.00 -2.81 0.14 0.00 -0.53 0.00 0.00 54.79 51.59 2k9a n ASP 117 Cb 0.02 -1.68 0.73 0.00 -0.64 0.00 0.00 41.12 39.55 2k9a n ASP 117 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k9a h PHE 118 N 8.24 0.00 -0.56 1.24 3.57 -1.86 -1.26 116.94 126.32 2k9a h PHE 118 Ca 0.37 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 2k9a h PHE 118 Cb 0.85 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2k9a h PHE 118 CO 1.33 0.00 0.24 -0.07 -2.23 0.00 0.00 178.31 177.58 2k9a h LEU 119 N 0.00 0.76 -0.41 0.59 3.38 -1.98 -2.02 115.31 115.62 2k9a h LEU 119 Ca 0.07 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2k9a h LEU 119 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2k9a h LEU 119 CO -0.00 0.71 -0.60 0.00 0.09 0.00 0.00 178.44 178.64 2k9a h ALA 120 N 1.08 0.74 0.37 1.53 0.00 -1.66 -2.69 119.26 118.64 2k9a h ALA 120 Ca 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 120 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k9a h ALA 120 CO -0.02 0.75 -0.18 0.35 0.00 0.00 0.00 179.25 180.15 2k9a h PHE 121 N 0.00 -0.47 -0.23 0.00 3.57 -0.95 0.75 116.94 119.62 2k9a h PHE 121 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 121 Cb 1.28 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 2k9a h PHE 121 CO 0.00 -0.18 0.07 -0.22 -2.23 0.00 0.00 178.31 175.76 2k9a h LYS 122 N -0.72 0.35 -0.13 1.11 3.64 -1.46 -2.62 116.57 116.74 2k9a h LYS 122 Ca -0.05 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2k9a h LYS 122 Cb 0.50 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2k9a h LYS 122 CO 0.08 0.43 0.01 1.49 -2.27 0.00 0.00 179.45 179.20 2k9a h GLU 123 N 0.20 0.18 -0.19 1.90 4.57 -1.50 -2.31 114.58 117.43 2k9a h GLU 123 Ca 0.07 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2k9a h GLU 123 Cb 0.23 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2k9a h GLU 123 CO -0.00 0.18 0.06 1.98 -1.18 0.00 0.00 179.01 180.05 2k9a h MET 124 N 0.18 0.29 -0.80 1.92 4.05 -0.48 -2.03 114.93 118.06 2k9a h MET 124 Ca 0.04 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2k9a h MET 124 Cb 0.10 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 2k9a h MET 124 CO 0.00 0.40 0.33 0.74 0.23 0.00 0.00 176.91 178.61 2k9a h PHE 125 N 0.13 1.20 -0.01 1.39 0.04 -1.19 -2.06 116.94 116.43 2k9a h PHE 125 Ca 0.06 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 125 Cb 0.23 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 2k9a h PHE 125 CO 0.00 0.90 -0.16 -0.07 -0.60 0.00 0.00 178.31 178.38 2k9a h LEU 126 N 1.16 0.02 -0.23 1.54 3.38 -1.27 -1.44 115.31 118.47 2k9a h LEU 126 Ca 0.27 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2k9a h LEU 126 Cb 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k9a h LEU 126 CO -0.02 0.17 -0.61 -0.78 0.09 0.00 0.00 178.44 177.29 2k9a h ASP 127 N 0.02 0.93 -0.02 -0.43 3.58 -0.70 -2.25 116.42 117.55 2k9a h ASP 127 Ca 0.00 -0.57 -0.08 0.00 0.42 0.00 0.00 57.03 56.80 2k9a h ASP 127 Cb 0.29 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2k9a h ASP 127 CO 0.02 1.34 -0.21 0.22 -2.88 0.00 0.00 179.24 177.73 2k9a h TYR 128 N 0.57 0.44 -0.32 0.28 3.20 -0.88 -2.21 116.97 118.04 2k9a h TYR 128 Ca -0.01 -0.08 -0.16 0.00 3.14 0.00 0.00 58.73 61.62 2k9a h TYR 128 Cb 1.23 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2k9a h TYR 128 CO 0.08 0.59 -0.42 -0.09 -1.64 0.00 0.00 178.16 176.67 2k9a h ARG 129 N 0.36 0.86 0.00 1.82 2.43 -1.21 -3.06 114.38 115.58 2k9a h ARG 129 Ca 0.06 -0.49 -0.07 0.00 -0.81 0.00 0.00 59.98 58.67 2k9a h ARG 129 Cb 0.57 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2k9a h ARG 129 CO 0.04 1.13 -0.33 0.00 -1.51 0.00 0.00 179.97 179.30 2k9a h ALA 130 N 0.72 1.37 0.00 2.80 0.00 -1.19 -2.27 119.26 120.69 2k9a h ALA 130 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 130 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k9a h ALA 130 CO 0.10 0.42 0.00 1.49 0.00 0.00 0.00 179.25 181.26 2k9a h GLU 131 N 0.00 0.00 0.00 0.00 4.81 -1.29 -2.03 114.58 116.07 2k9a h GLU 131 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 131 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k9a h GLU 131 CO 0.04 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.95 2k9a n LYS 132 N -2.71 0.35 0.12 1.92 4.76 -0.85 -2.22 118.16 119.52 2k9a n LYS 132 Ca 0.00 0.08 0.06 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 31.91 2k9a n LYS 132 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2k9a h GLU 133 N 0.00 0.00 0.00 1.97 4.11 -1.55 -3.33 114.58 115.78 2k9a h GLU 133 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k9a h GLU 133 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k9a h GLU 133 CO 0.00 0.20 -1.11 0.41 0.07 0.00 0.00 179.01 178.58 2k9a n GLY 134 N 1.23 -0.53 2.75 1.06 0.00 -0.94 -5.07 105.19 103.69 2k9a n GLY 134 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 2k9a n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9a n ARG 135 N -1.63 -3.41 0.00 1.61 1.74 -1.03 -5.17 116.66 108.76 2k9a n ARG 135 Ca 0.01 2.73 0.00 0.00 -0.77 0.00 0.00 57.85 59.82 2k9a n ARG 135 Cb 0.30 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52