#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9m n ILE 2 N 0.00 0.00 -0.76 2.02 -0.00 -1.26 -5.08 119.36 114.28 3k9m n ILE 2 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3k9m n ILE 2 Cb 0.00 1.83 0.00 0.00 -0.00 0.00 0.00 39.64 41.47 3k9m n ILE 2 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3k9m n PRO 3 N -0.00 -0.16 -0.97 0.38 -0.01 -1.26 -3.21 135.00 129.77 3k9m n PRO 3 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 63.50 63.68 3k9m n PRO 3 Cb 0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 33.50 33.53 3k9m n PRO 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3k9m n GLY 4 N 1.01 0.35 3.92 -1.23 0.00 -1.26 -5.02 105.19 102.96 3k9m n GLY 4 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3k9m n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9m s GLY 5 N -2.00 1.66 0.00 -0.02 0.00 -1.20 -4.88 107.32 100.89 3k9m s GLY 5 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 3k9m s GLY 5 CO 0.00 -0.48 0.36 0.48 0.00 0.00 0.00 173.10 173.46 3k9m s LEU 6 N -5.15 4.43 1.19 0.66 2.34 -1.26 -4.28 118.68 116.61 3k9m s LEU 6 Ca 0.58 0.82 -0.16 0.00 0.06 0.00 0.00 54.13 55.43 3k9m s LEU 6 Cb -0.11 -2.60 0.28 0.00 -0.56 0.00 0.00 46.19 43.20 3k9m s LEU 6 CO 0.45 0.30 1.03 -0.94 -1.06 0.00 0.00 176.35 176.13 3k9m s SER 7 N -1.27 0.86 0.92 1.48 1.04 0.94 -4.93 113.70 112.75 3k9m s SER 7 Ca 0.25 1.17 -0.15 0.00 0.48 0.00 0.00 55.95 57.70 3k9m s SER 7 Cb -0.15 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.13 3k9m s SER 7 CO 0.13 -4.22 -0.04 -0.62 0.98 0.00 0.00 173.24 169.47 3k9m n GLU 8 N -4.90 -0.10 -2.92 4.02 1.02 -1.26 -4.64 120.64 111.86 3k9m n GLU 8 Ca 0.06 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 3k9m n GLU 8 Cb 0.57 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 3k9m n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k9m s ALA 9 N -2.18 3.21 -0.01 0.62 0.00 -1.26 -4.64 121.76 117.50 3k9m s ALA 9 Ca 0.52 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.85 3k9m s ALA 9 Cb -0.23 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3k9m s ALA 9 CO 0.72 0.22 -0.14 0.15 0.00 0.00 0.00 175.76 176.70 3k9m s LYS 10 N -2.60 1.17 0.86 0.00 1.02 -0.36 -5.00 119.74 114.83 3k9m s LYS 10 Ca 0.54 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 3k9m s LYS 10 Cb -0.13 -1.13 0.11 0.00 -0.52 0.00 0.00 37.83 36.16 3k9m s LYS 10 CO 0.18 0.31 1.11 -1.25 -0.92 0.00 0.00 175.35 174.78 3k9m s PRO 11 N -0.35 1.50 0.67 -1.68 0.04 -1.26 -1.33 135.00 132.58 3k9m s PRO 11 Ca 0.05 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 3k9m s PRO 11 Cb -0.06 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 3k9m s PRO 11 CO -0.01 -2.20 0.99 0.00 0.04 0.00 0.00 177.00 175.82 3k9m n ALA 12 N -3.91 0.06 -2.26 8.56 0.00 -1.10 -4.63 120.51 117.24 3k9m n ALA 12 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 3k9m n ALA 12 Cb 0.53 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 3k9m n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k9m s THR 13 N -1.64 0.15 0.18 0.00 -4.23 -1.26 -5.01 115.64 103.83 3k9m s THR 13 Ca 0.76 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.14 3k9m s THR 13 Cb -0.38 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.02 3k9m s THR 13 CO 0.48 0.00 1.79 1.55 -0.54 0.00 0.00 174.62 177.89 3k9m h PRO 14 N 2.43 0.50 -0.88 3.99 0.13 -1.99 -2.19 132.00 133.99 3k9m h PRO 14 Ca -0.34 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.86 3k9m h PRO 14 Cb 1.25 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 3k9m h PRO 14 CO 0.51 0.33 0.52 1.49 -0.23 0.00 0.00 178.00 180.62 3k9m h GLU 15 N 0.52 0.82 0.18 0.86 4.81 -1.99 -0.18 114.58 119.60 3k9m h GLU 15 Ca 0.23 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3k9m h GLU 15 Cb 0.13 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3k9m h GLU 15 CO -0.16 0.54 -0.09 0.82 -0.73 0.00 0.00 179.01 179.40 3k9m h ILE 16 N 0.84 0.89 -0.96 2.32 1.08 -1.94 -1.50 117.51 118.25 3k9m h ILE 16 Ca 0.43 -0.95 0.21 0.00 -0.39 0.00 0.00 64.86 64.16 3k9m h ILE 16 Cb 0.42 1.41 -0.18 0.00 -3.07 0.00 0.00 36.82 35.40 3k9m h ILE 16 CO -0.26 0.20 -0.17 -0.61 -0.69 0.00 0.00 178.15 176.62 3k9m h GLN 17 N -0.75 0.01 -0.48 2.37 5.75 -1.12 0.15 115.11 121.02 3k9m h GLN 17 Ca -0.03 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 3k9m h GLN 17 Cb 0.51 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3k9m h GLN 17 CO 0.04 0.00 -0.02 1.49 -2.65 0.00 0.00 178.83 177.70 3k9m h GLU 18 N 0.01 0.87 -0.31 1.69 4.81 -0.91 -2.19 114.58 118.55 3k9m h GLU 18 Ca 0.49 -0.29 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3k9m h GLU 18 Cb 0.82 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 3k9m h GLU 18 CO -0.96 0.92 -0.46 0.82 -0.73 0.00 0.00 179.01 178.60 3k9m h ILE 19 N 0.72 0.09 0.79 2.32 2.04 0.33 -0.96 117.51 122.84 3k9m h ILE 19 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3k9m h ILE 19 Cb 0.54 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3k9m h ILE 19 CO 0.03 0.00 -0.49 -0.37 0.00 0.00 0.00 178.15 177.32 3k9m h VAL 20 N -0.41 0.00 -0.47 1.67 -1.51 -0.89 -1.16 116.25 113.48 3k9m h VAL 20 Ca 0.10 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.71 3k9m h VAL 20 Cb 0.61 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 3k9m h VAL 20 CO -0.52 0.00 0.66 0.44 -1.23 0.00 0.00 177.57 176.92 3k9m h ASP 21 N -1.20 0.00 0.82 4.19 3.45 -1.33 0.93 116.42 123.28 3k9m h ASP 21 Ca -0.11 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.17 3k9m h ASP 21 Cb 0.96 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.70 3k9m h ASP 21 CO 0.11 0.00 -1.29 0.50 -1.57 0.00 0.00 179.24 176.99 3k9m h LYS 22 N 0.00 0.00 -0.02 3.56 3.64 -0.12 -3.30 116.57 120.33 3k9m h LYS 22 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3k9m h LYS 22 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3k9m h LYS 22 CO -0.00 0.42 -0.25 1.33 -2.27 0.00 0.00 179.45 178.68 3k9m n VAL 23 N -3.01 0.00 -0.35 2.00 0.24 0.29 -4.53 118.33 112.96 3k9m n VAL 23 Ca -0.08 -0.36 0.09 0.00 -2.04 0.00 0.00 64.34 61.95 3k9m n VAL 23 Cb 0.87 1.34 0.28 0.00 -1.47 0.00 0.00 33.84 34.86 3k9m n VAL 23 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3k9m h LYS 24 N 3.44 0.88 -0.05 7.34 3.64 -0.74 -1.24 116.57 129.83 3k9m h LYS 24 Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3k9m h LYS 24 Cb 0.86 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3k9m h LYS 24 CO 0.00 0.58 -0.22 -1.35 -2.27 0.00 0.00 179.45 176.19 3k9m h PRO 25 N 0.90 0.08 -0.22 1.90 0.11 -1.82 0.12 132.00 133.07 3k9m h PRO 25 Ca 0.52 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.47 3k9m h PRO 25 Cb 0.64 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3k9m h PRO 25 CO -0.30 0.30 -0.46 1.96 -0.21 0.00 0.00 178.00 179.30 3k9m h GLN 26 N 0.07 0.55 -0.01 1.05 4.20 -1.58 -1.34 115.11 118.05 3k9m h GLN 26 Ca 0.01 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.29 3k9m h GLN 26 Cb 0.43 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3k9m h GLN 26 CO 0.03 0.90 -0.59 1.25 -0.67 0.00 0.00 178.83 179.74 3k9m h LEU 27 N 0.44 0.05 0.77 1.46 5.85 -0.26 -2.68 115.31 120.94 3k9m h LEU 27 Ca 0.03 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k9m h LEU 27 Cb 0.97 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.99 3k9m h LEU 27 CO 0.09 0.63 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.12 3k9m h GLU 28 N 0.04 -1.00 -0.88 1.25 3.07 -0.69 -2.14 114.58 114.23 3k9m h GLU 28 Ca -0.01 0.07 0.22 0.00 -0.50 0.00 0.00 59.36 59.15 3k9m h GLU 28 Cb 1.05 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 29.06 3k9m h GLU 28 CO 0.08 -0.65 0.33 1.49 -1.40 0.00 0.00 179.01 178.86 3k9m h GLU 29 N -1.09 0.31 0.06 2.33 4.81 -1.13 1.17 114.58 121.04 3k9m h GLU 29 Ca -0.11 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3k9m h GLU 29 Cb 0.80 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3k9m h GLU 29 CO 0.17 0.21 -0.03 0.87 -0.73 0.00 0.00 179.01 179.50 3k9m h LYS 30 N 0.32 -0.08 0.00 1.92 6.56 -1.53 -3.31 116.57 120.45 3k9m h LYS 30 Ca 0.55 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.15 3k9m h LYS 30 Cb 1.08 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 3k9m h LYS 30 CO -0.57 0.47 0.00 0.25 -2.06 0.00 0.00 179.45 177.54 3k9m n THR 31 N -4.85 0.64 -0.19 -0.16 -2.24 -0.56 -4.88 114.28 102.06 3k9m n THR 31 Ca -0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3k9m n THR 31 Cb 0.29 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3k9m n THR 31 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k9m n ASN 32 N -2.22 0.00 -2.30 3.42 5.15 0.39 -4.94 115.26 114.77 3k9m n ASN 32 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 3k9m n ASN 32 Cb 0.36 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 3k9m n ASN 32 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k9m n GLU 33 N -2.00 0.57 -3.71 1.20 1.02 -1.24 -4.99 120.64 111.49 3k9m n GLU 33 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3k9m n GLU 33 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 3k9m n GLU 33 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k9m s THR 34 N -0.38 -0.03 -0.07 2.62 2.01 -1.26 -4.78 115.64 113.75 3k9m s THR 34 Ca 0.00 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3k9m s THR 34 Cb 0.00 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3k9m s THR 34 CO 0.00 0.04 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.64 3k9m s TYR 35 N 1.26 3.08 0.04 4.92 2.02 -1.26 -5.01 117.35 122.40 3k9m s TYR 35 Ca -0.09 0.13 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 3k9m s TYR 35 Cb -0.09 -1.75 -0.12 0.00 -0.40 0.00 0.00 41.96 39.61 3k9m s TYR 35 CO -0.10 0.42 1.35 0.78 -1.57 0.00 0.00 175.55 176.43 3k9m h GLY 36 N 5.12 -0.97 -5.73 0.71 0.00 -2.01 -3.47 103.07 96.72 3k9m h GLY 36 Ca -0.50 0.41 0.19 0.00 0.00 0.00 0.00 47.33 47.43 3k9m h GLY 36 CO 0.54 -0.33 0.86 1.25 0.00 0.00 0.00 176.54 178.86 3k9m s LYS 37 N -4.79 0.10 0.17 4.80 2.20 -1.26 -5.16 119.74 115.79 3k9m s LYS 37 Ca -0.12 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.58 3k9m s LYS 37 Cb 0.02 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 3k9m s LYS 37 CO 0.37 -0.02 0.35 -0.51 -0.36 0.00 0.00 175.35 175.18 3k9m s LEU 38 N -0.13 4.27 -0.06 5.43 1.43 -1.26 -4.54 118.68 123.82 3k9m s LEU 38 Ca 0.07 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3k9m s LEU 38 Cb -0.04 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3k9m s LEU 38 CO -0.14 0.01 0.03 -0.70 0.23 0.00 0.00 176.35 175.79 3k9m s GLU 39 N -3.12 0.23 0.36 1.70 2.56 -1.24 -4.87 118.70 114.31 3k9m s GLU 39 Ca 0.38 0.25 -0.28 0.00 0.00 0.00 0.00 54.97 55.31 3k9m s GLU 39 Cb -0.11 -0.74 -0.11 0.00 2.00 0.00 0.00 34.13 35.16 3k9m s GLU 39 CO 0.28 -0.33 1.45 0.00 -0.56 0.00 0.00 175.26 176.10 3k9m s ALA 40 N 2.08 3.57 0.00 6.30 0.00 -1.26 0.72 121.76 133.17 3k9m s ALA 40 Ca 0.05 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3k9m s ALA 40 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3k9m s ALA 40 CO -0.04 -0.94 0.00 1.33 0.00 0.00 0.00 175.76 176.11 3k9m n VAL 41 N 0.70 0.00 -3.64 0.00 0.24 -0.90 -4.77 118.33 109.95 3k9m n VAL 41 Ca 0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 3k9m n VAL 41 Cb 0.40 -0.70 -0.08 0.00 -1.47 0.00 0.00 33.84 32.00 3k9m n VAL 41 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3k9m s GLN 42 N -1.84 0.81 0.05 7.34 -0.21 -1.26 -2.70 119.66 121.86 3k9m s GLN 42 Ca 0.00 0.41 -0.07 0.00 0.02 0.00 0.00 55.36 55.72 3k9m s GLN 42 Cb 0.00 0.38 -0.01 0.00 1.00 0.00 0.00 33.01 34.39 3k9m s GLN 42 CO 0.00 -0.19 0.14 1.52 -2.12 0.00 0.00 175.29 174.65 3k9m s TYR 43 N -0.54 0.16 0.13 0.91 -0.85 -0.44 -1.67 117.35 115.05 3k9m s TYR 43 Ca -0.07 -0.50 0.08 0.00 -0.52 0.00 0.00 57.07 56.07 3k9m s TYR 43 Cb -0.03 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 3k9m s TYR 43 CO 0.05 -0.44 -0.19 0.15 -1.52 0.00 0.00 175.55 173.60 3k9m s LYS 44 N -3.06 1.18 0.21 -3.49 1.02 -0.38 -1.22 119.74 114.00 3k9m s LYS 44 Ca -0.01 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 54.78 3k9m s LYS 44 Cb 0.01 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 3k9m s LYS 44 CO -0.07 0.28 -0.16 0.95 -0.92 0.00 0.00 175.35 175.43 3k9m s THR 45 N -1.69 1.86 -0.06 2.17 -4.23 -1.26 0.10 115.64 112.52 3k9m s THR 45 Ca 0.11 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3k9m s THR 45 Cb -0.07 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3k9m s THR 45 CO 0.05 -0.52 0.13 -1.58 -0.54 0.00 0.00 174.62 172.17 3k9m s GLN 46 N -3.46 0.09 -0.23 3.99 0.74 -0.74 -0.04 119.66 120.01 3k9m s GLN 46 Ca 0.22 0.33 -0.25 0.00 0.05 0.00 0.00 55.36 55.71 3k9m s GLN 46 Cb -0.02 -0.15 -0.00 0.00 1.10 0.00 0.00 33.01 33.93 3k9m s GLN 46 CO 0.08 -0.14 0.86 0.08 -0.55 0.00 0.00 175.29 175.61 3k9m s VAL 47 N 1.00 4.82 0.00 1.34 1.01 -1.26 -0.88 120.40 126.43 3k9m s VAL 47 Ca -0.08 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3k9m s VAL 47 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3k9m s VAL 47 CO -0.05 -0.07 0.00 1.33 0.00 0.00 0.00 175.10 176.31 3k9m n VAL 48 N 5.19 0.00 -1.10 2.92 0.24 -1.26 -4.59 118.33 119.73 3k9m n VAL 48 Ca 0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.03 3k9m n VAL 48 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3k9m n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k9m n ALA 49 N -3.00 5.11 0.00 2.33 0.00 -1.26 -4.57 120.51 119.12 3k9m n ALA 49 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.55 3k9m n ALA 49 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.15 3k9m n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9m n GLY 50 N 3.95 0.32 3.35 0.00 0.00 -1.26 -4.74 105.19 106.81 3k9m n GLY 50 Ca 0.54 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 3k9m n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k9m s THR 51 N -0.28 2.59 0.03 2.61 2.01 -0.97 -4.60 115.64 117.03 3k9m s THR 51 Ca 0.00 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 3k9m s THR 51 Cb 0.00 -2.00 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 3k9m s THR 51 CO 0.00 0.57 0.69 0.20 -0.69 0.00 0.00 174.62 175.38 3k9m s ASN 52 N -0.22 7.11 -0.16 3.53 0.01 -0.06 0.67 114.94 125.83 3k9m s ASN 52 Ca -0.01 1.33 -0.06 0.00 -0.71 0.00 0.00 52.86 53.41 3k9m s ASN 52 Cb -0.13 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3k9m s ASN 52 CO 0.03 0.07 0.04 -0.31 -1.51 0.00 0.00 177.10 175.42 3k9m s TYR 53 N -0.18 3.22 -0.77 2.20 2.02 0.17 -1.79 117.35 122.21 3k9m s TYR 53 Ca 0.35 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 57.09 3k9m s TYR 53 Cb -0.20 -2.00 0.19 0.00 -0.40 0.00 0.00 41.96 39.55 3k9m s TYR 53 CO 0.20 0.21 0.62 0.71 -1.57 0.00 0.00 175.55 175.72 3k9m s TYR 54 N 0.09 3.67 -0.03 2.71 1.51 0.11 -0.82 117.35 124.60 3k9m s TYR 54 Ca 0.04 -2.99 -0.18 0.00 -1.01 0.00 0.00 57.07 52.92 3k9m s TYR 54 Cb -0.12 -3.13 -0.05 0.00 -0.11 0.00 0.00 41.96 38.54 3k9m s TYR 54 CO 0.01 -0.74 0.52 0.42 -1.11 0.00 0.00 175.55 174.65 3k9m s ILE 55 N -0.96 5.00 -0.49 2.71 -1.09 -0.24 -1.25 121.20 124.88 3k9m s ILE 55 Ca 0.24 1.07 -0.19 0.00 -2.23 0.00 0.00 60.65 59.53 3k9m s ILE 55 Cb -0.11 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 36.97 3k9m s ILE 55 CO -0.10 0.44 0.62 -0.75 -1.23 0.00 0.00 174.94 173.92 3k9m s LYS 56 N -0.23 3.15 -0.06 2.79 2.20 -0.67 0.63 119.74 127.54 3k9m s LYS 56 Ca 0.28 -0.79 -0.11 0.00 -0.36 0.00 0.00 55.97 54.98 3k9m s LYS 56 Cb -0.17 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.03 3k9m s LYS 56 CO 0.15 -1.17 0.29 0.14 -0.36 0.00 0.00 175.35 174.39 3k9m s VAL 57 N 2.65 5.24 -0.85 4.02 -7.23 0.41 -2.12 120.40 122.53 3k9m s VAL 57 Ca 0.16 0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 60.81 3k9m s VAL 57 Cb -0.18 -3.58 0.22 0.00 0.56 0.00 0.00 36.38 33.40 3k9m s VAL 57 CO 0.13 0.58 0.76 0.00 -0.31 0.00 0.00 175.10 176.27 3k9m s ARG 58 N -0.95 3.43 0.00 4.82 1.70 0.22 0.46 118.95 128.63 3k9m s ARG 58 Ca 0.20 -2.78 0.00 0.00 -0.47 0.00 0.00 55.73 52.68 3k9m s ARG 58 Cb -0.15 -4.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.02 3k9m s ARG 58 CO 0.09 -1.25 0.00 0.00 -1.08 0.00 0.00 175.30 173.06 3k9m n ALA 59 N 3.31 0.00 -1.77 7.88 0.00 -1.26 -3.68 120.51 124.99 3k9m n ALA 59 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3k9m n ALA 59 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 3k9m n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k9m s GLY 60 N -0.29 2.88 0.03 0.00 0.00 -1.26 -4.88 107.32 103.81 3k9m s GLY 60 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3k9m s GLY 60 CO 0.00 1.58 0.00 1.22 0.00 0.00 0.00 173.10 175.90 3k9m n ASP 61 N 0.06 -2.86 -0.14 1.64 10.43 -1.26 -4.37 116.55 120.06 3k9m n ASP 61 Ca 0.04 0.15 0.08 0.00 2.57 0.00 0.00 54.79 57.63 3k9m n ASP 61 Cb 0.46 -0.43 0.15 0.00 1.84 0.00 0.00 41.12 43.14 3k9m n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3k9m n ASN 62 N -1.11 -0.01 -4.29 -2.24 2.85 -1.26 -4.79 115.26 104.42 3k9m n ASN 62 Ca 0.00 0.70 -0.16 0.00 -0.11 0.00 0.00 54.58 55.02 3k9m n ASN 62 Cb 0.06 -0.27 -0.10 0.00 1.24 0.00 0.00 39.78 40.71 3k9m n ASN 62 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3k9m s LYS 63 N -5.09 1.19 0.28 1.20 1.02 -1.26 -4.61 119.74 112.47 3k9m s LYS 63 Ca -0.05 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 54.45 3k9m s LYS 63 Cb 0.13 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 3k9m s LYS 63 CO 0.32 0.02 0.36 0.71 -0.92 0.00 0.00 175.35 175.85 3k9m s TYR 64 N -3.32 3.24 0.37 3.18 4.12 -0.99 -4.39 117.35 119.57 3k9m s TYR 64 Ca 0.22 -0.12 0.08 0.00 0.02 0.00 0.00 57.07 57.26 3k9m s TYR 64 Cb 0.03 -1.70 -0.02 0.00 -1.52 0.00 0.00 41.96 38.76 3k9m s TYR 64 CO 0.04 0.29 0.35 -1.64 0.02 0.00 0.00 175.55 174.61 3k9m s MET 65 N -4.02 2.66 -0.22 -0.62 -1.94 0.17 -2.87 119.30 112.46 3k9m s MET 65 Ca 0.38 -1.38 -0.01 0.00 -1.71 0.00 0.00 55.69 52.96 3k9m s MET 65 Cb -0.09 -2.46 0.07 0.00 2.01 0.00 0.00 34.83 34.36 3k9m s MET 65 CO 0.29 -0.04 0.01 -1.01 -0.01 0.00 0.00 175.02 174.26 3k9m s HIS 66 N -2.37 1.61 0.03 -0.03 3.76 -1.23 -0.44 115.29 116.61 3k9m s HIS 66 Ca 0.45 -1.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.05 3k9m s HIS 66 Cb -0.05 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 3k9m s HIS 66 CO 0.28 -0.70 0.16 -0.51 -0.85 0.00 0.00 174.74 173.11 3k9m s LEU 67 N 1.66 4.21 -0.29 0.89 1.43 0.20 -1.72 118.68 125.06 3k9m s LEU 67 Ca -0.01 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3k9m s LEU 67 Cb -0.18 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.47 3k9m s LEU 67 CO -0.09 0.22 -0.02 -0.75 0.23 0.00 0.00 176.35 175.94 3k9m s LYS 68 N -2.14 1.67 -0.22 1.70 2.20 -1.26 -1.08 119.74 120.61 3k9m s LYS 68 Ca 0.29 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 3k9m s LYS 68 Cb -0.13 -2.87 0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3k9m s LYS 68 CO 0.21 -0.76 -0.12 0.08 -0.36 0.00 0.00 175.35 174.40 3k9m s VAL 69 N 1.13 2.47 0.06 4.02 1.01 -0.00 -0.50 120.40 128.59 3k9m s VAL 69 Ca 0.01 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 3k9m s VAL 69 Cb -0.19 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3k9m s VAL 69 CO -0.08 0.31 1.05 0.12 0.00 0.00 0.00 175.10 176.50 3k9m s PHE 70 N 1.29 3.63 -0.10 5.22 5.36 0.63 0.42 117.98 134.42 3k9m s PHE 70 Ca 0.01 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 3k9m s PHE 70 Cb -0.16 -3.20 -0.03 0.00 -0.34 0.00 0.00 43.02 39.29 3k9m s PHE 70 CO -0.08 -0.36 -0.04 0.21 -1.46 0.00 0.00 175.22 173.50 3k9m s LYS 71 N 0.65 3.06 0.61 10.12 2.20 0.21 -1.51 119.74 135.09 3k9m s LYS 71 Ca 0.52 -0.49 -0.14 0.00 -0.36 0.00 0.00 55.97 55.51 3k9m s LYS 71 Cb -0.25 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 3k9m s LYS 71 CO 0.30 0.58 1.04 0.45 -0.36 0.00 0.00 175.35 177.35 3k9m s SER 72 N -0.55 5.85 0.37 1.43 0.15 -0.94 -2.28 113.70 117.73 3k9m s SER 72 Ca 0.09 1.67 -0.24 0.00 0.70 0.00 0.00 55.95 58.17 3k9m s SER 72 Cb -0.12 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.58 3k9m s SER 72 CO 0.02 -1.12 0.96 -0.22 1.20 0.00 0.00 173.24 174.08 3k9m s LEU 73 N -4.83 4.16 0.00 3.45 2.96 -1.26 -4.72 118.68 118.44 3k9m s LEU 73 Ca 0.60 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 3k9m s LEU 73 Cb -0.14 -4.24 0.00 0.00 0.50 0.00 0.00 46.19 42.32 3k9m s LEU 73 CO 0.43 -0.23 0.00 -2.65 -1.32 0.00 0.00 176.35 172.58 3k9m n PRO 74 N 0.02 1.82 -3.44 0.98 -0.02 -1.26 -3.93 135.00 129.17 3k9m n PRO 74 Ca 0.04 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.34 3k9m n PRO 74 Cb 0.51 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.06 3k9m n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k9m n GLY 75 N 0.00 -0.65 2.53 -1.23 0.00 -1.26 -4.29 105.19 100.28 3k9m n GLY 75 Ca 0.00 0.29 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 3k9m n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k9m n GLN 76 N -3.87 0.00 -1.21 1.61 -0.06 -1.26 -4.84 117.38 107.75 3k9m n GLN 76 Ca -0.21 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.65 3k9m n GLN 76 Cb 0.65 -0.95 0.14 0.00 -4.06 0.00 0.00 30.24 26.02 3k9m n GLN 76 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 3k9m n ASN 77 N 6.25 3.87 -4.41 1.69 6.94 -1.25 -5.07 115.26 123.28 3k9m n ASN 77 Ca 0.48 -3.78 -0.48 0.00 -0.02 0.00 0.00 54.58 50.78 3k9m n ASN 77 Cb 0.05 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 36.72 3k9m n ASN 77 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3k9m n GLU 78 N -0.99 0.03 -3.97 -3.83 2.13 -1.26 -4.85 120.64 107.89 3k9m n GLU 78 Ca 0.41 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.92 3k9m n GLU 78 Cb 0.98 -1.54 -0.15 0.00 0.27 0.00 0.00 31.44 31.00 3k9m n GLU 78 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3k9m s ASP 79 N 7.89 4.50 -0.98 4.31 -1.08 -1.26 -4.93 116.67 125.12 3k9m s ASP 79 Ca 1.29 -1.85 -0.16 0.00 -0.52 0.00 0.00 52.55 51.31 3k9m s ASP 79 Cb -1.33 -1.44 0.17 0.00 -1.46 0.00 0.00 42.92 38.86 3k9m s ASP 79 CO 0.55 -0.34 1.11 -0.76 0.52 0.00 0.00 175.17 176.25 3k9m s LEU 80 N 1.10 5.53 -0.04 -1.34 2.01 -1.26 -2.20 118.68 122.48 3k9m s LEU 80 Ca 0.06 -2.52 -0.21 0.00 0.01 0.00 0.00 54.13 51.47 3k9m s LEU 80 Cb -0.19 -2.34 -0.05 0.00 0.01 0.00 0.00 46.19 43.62 3k9m s LEU 80 CO -0.10 -0.82 0.62 -0.69 1.01 0.00 0.00 176.35 176.37 3k9m s VAL 81 N 1.56 4.99 -0.08 -1.59 1.01 -0.57 -4.83 120.40 120.90 3k9m s VAL 81 Ca 0.31 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 3k9m s VAL 81 Cb -0.06 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3k9m s VAL 81 CO -0.07 0.34 0.91 -0.22 0.00 0.00 0.00 175.10 176.06 3k9m s LEU 82 N 0.29 4.28 0.00 3.92 2.96 -1.26 -0.27 118.68 128.60 3k9m s LEU 82 Ca 0.33 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 3k9m s LEU 82 Cb -0.18 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3k9m s LEU 82 CO 0.17 -0.32 0.00 0.35 -1.32 0.00 0.00 176.35 175.22 3k9m n THR 83 N 4.25 0.00 0.00 3.68 -2.24 0.34 -4.93 114.28 115.38 3k9m n THR 83 Ca 0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3k9m n THR 83 Cb 0.50 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3k9m n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9m n GLY 84 N 0.84 1.74 0.23 3.38 0.00 -0.69 -4.96 105.19 105.73 3k9m n GLY 84 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k9m n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k9m n TYR 85 N 0.00 0.00 -3.56 1.61 -0.00 -1.22 -4.83 117.16 109.16 3k9m n TYR 85 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.63 3k9m n TYR 85 Cb 0.00 -0.71 -0.11 0.00 -0.00 0.00 0.00 39.34 38.52 3k9m n TYR 85 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3k9m s GLN 86 N -2.52 1.39 0.86 -3.48 -0.21 -0.70 -5.00 119.66 109.99 3k9m s GLN 86 Ca 0.00 -2.46 -0.13 0.00 0.02 0.00 0.00 55.36 52.79 3k9m s GLN 86 Cb 0.00 -2.06 0.06 0.00 1.00 0.00 0.00 33.01 32.01 3k9m s GLN 86 CO 0.00 -1.34 0.80 0.28 -2.12 0.00 0.00 175.29 172.91 3k9m n VAL 87 N 2.63 0.93 -2.73 1.09 0.31 -1.26 -3.56 118.33 115.75 3k9m n VAL 87 Ca 0.25 -0.20 -0.05 0.00 -0.01 0.00 0.00 64.34 64.33 3k9m n VAL 87 Cb 0.43 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 3k9m n VAL 87 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3k9m n ASP 88 N -2.26 -7.23 -3.73 4.52 8.00 -1.26 -4.99 116.55 109.60 3k9m n ASP 88 Ca 0.10 0.36 -0.15 0.00 0.71 0.00 0.00 54.79 55.81 3k9m n ASP 88 Cb 0.52 -4.87 -0.15 0.00 -0.02 0.00 0.00 41.12 36.60 3k9m n ASP 88 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k9m s LYS 89 N -2.55 0.05 0.57 -1.24 1.02 -1.14 -5.07 119.74 111.38 3k9m s LYS 89 Ca 0.17 0.37 -0.15 0.00 0.02 0.00 0.00 55.97 56.39 3k9m s LYS 89 Cb -0.05 -0.23 -0.12 0.00 -0.52 0.00 0.00 37.83 36.91 3k9m s LYS 89 CO 0.67 -0.20 -0.32 -1.71 -0.92 0.00 0.00 175.35 172.88 3k9m n ASN 90 N 4.46 -3.78 -0.06 2.83 5.15 -1.26 -2.35 115.26 120.24 3k9m n ASN 90 Ca -0.22 0.39 0.25 0.00 -0.60 0.00 0.00 54.58 54.41 3k9m n ASN 90 Cb 0.51 -0.67 0.70 0.00 -0.53 0.00 0.00 39.78 39.79 3k9m n ASN 90 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3k9m h LYS 91 N -0.32 0.00 -0.13 1.20 1.57 -1.91 -3.27 116.57 113.71 3k9m h LYS 91 Ca -0.35 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.24 3k9m h LYS 91 Cb 1.15 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.11 3k9m h LYS 91 CO 0.29 0.00 -0.93 -3.47 -0.57 0.00 0.00 179.45 174.77 3k9m n ASP 92 N -3.84 0.78 -4.72 0.86 2.03 -1.26 -4.81 116.55 105.59 3k9m n ASP 92 Ca 0.14 -2.02 -0.40 0.00 0.52 0.00 0.00 54.79 53.03 3k9m n ASP 92 Cb 0.89 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 41.03 3k9m n ASP 92 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 3k9m s ASP 93 N -2.36 7.14 0.62 1.67 3.84 -1.23 -5.03 116.67 121.30 3k9m s ASP 93 Ca 0.26 1.37 -0.17 0.00 -0.00 0.00 0.00 52.55 54.01 3k9m s ASP 93 Cb 0.33 -2.46 -0.09 0.00 -1.38 0.00 0.00 42.92 39.32 3k9m s ASP 93 CO -0.11 -0.11 0.34 -1.84 -0.00 0.00 0.00 175.17 173.45 3k9m n GLU 94 N 3.55 0.33 -2.19 2.11 0.28 -1.26 -4.93 120.64 118.54 3k9m n GLU 94 Ca 0.00 0.14 -0.42 0.00 -0.16 0.00 0.00 57.16 56.71 3k9m n GLU 94 Cb 0.51 -1.57 -0.03 0.00 1.43 0.00 0.00 31.44 31.78 3k9m n GLU 94 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3k9m s LEU 95 N 1.61 4.27 0.33 -1.84 1.43 -1.26 -5.02 118.68 118.20 3k9m s LEU 95 Ca 0.64 2.02 0.07 0.00 -1.03 0.00 0.00 54.13 55.83 3k9m s LEU 95 Cb -0.42 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 3k9m s LEU 95 CO 0.59 -0.84 -0.03 0.42 0.23 0.00 0.00 176.35 176.72 3k9m s THR 96 N 3.63 1.77 0.73 5.49 -4.23 -1.26 -5.07 115.64 116.70 3k9m s THR 96 Ca 0.65 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 3k9m s THR 96 Cb -0.29 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3k9m s THR 96 CO 0.24 -0.17 1.10 -0.83 -0.54 0.00 0.00 174.62 174.42 3k9m s GLY 97 N -3.54 1.63 0.00 3.99 0.00 -1.26 -5.08 107.32 103.06 3k9m s GLY 97 Ca 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3k9m s GLY 97 CO 0.15 0.07 0.00 1.97 0.00 0.00 0.00 173.10 175.29