#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9x s SER 2 N 0.00 6.82 -0.27 7.83 1.04 -1.26 -5.00 113.70 122.85 2k9x s SER 2 Ca 0.00 2.32 -0.06 0.00 0.48 0.00 0.00 55.95 58.68 2k9x s SER 2 Cb 0.00 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 2k9x s SER 2 CO 0.00 -0.67 0.06 0.20 0.98 0.00 0.00 173.24 173.81 2k9x s ASN 3 N 1.22 5.00 -0.15 7.02 0.01 -1.26 -4.85 114.94 121.93 2k9x s ASN 3 Ca 0.65 -0.54 -0.09 0.00 -0.71 0.00 0.00 52.86 52.16 2k9x s ASN 3 Cb -0.37 -1.87 0.04 0.00 0.41 0.00 0.00 41.25 39.46 2k9x s ASN 3 CO 0.30 -0.13 0.18 1.41 -1.51 0.00 0.00 177.10 177.36 2k9x n HIS 4 N 4.87 -3.47 -1.79 2.20 8.25 -1.26 -4.91 115.22 119.11 2k9x n HIS 4 Ca -0.15 1.99 -0.42 0.00 -0.26 0.00 0.00 57.72 58.88 2k9x n HIS 4 Cb 0.49 -3.39 -0.02 0.00 1.12 0.00 0.00 29.99 28.19 2k9x n HIS 4 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2k9x s ASN 5 N -0.57 6.40 -0.14 0.41 0.01 -1.26 -4.99 114.94 114.80 2k9x s ASN 5 Ca -0.21 2.90 -0.33 0.00 -0.71 0.00 0.00 52.86 54.51 2k9x s ASN 5 Cb 0.01 -2.62 0.13 0.00 0.41 0.00 0.00 41.25 39.18 2k9x s ASN 5 CO 0.62 -0.91 1.11 -1.38 -1.51 0.00 0.00 177.10 175.03 2k9x s HIS 6 N 0.33 -0.21 0.16 2.20 -3.43 -1.26 -4.83 115.29 108.25 2k9x s HIS 6 Ca 0.66 0.17 0.09 0.00 -0.80 0.00 0.00 55.06 55.18 2k9x s HIS 6 Cb -0.48 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.15 2k9x s HIS 6 CO 0.43 -0.30 -0.20 0.42 -2.00 0.00 0.00 174.74 173.09 2k9x s ILE 7 N -2.40 1.94 -0.43 -5.38 -1.09 -0.86 -1.30 121.20 111.68 2k9x s ILE 7 Ca 0.07 -1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 56.60 2k9x s ILE 7 Cb -0.01 -1.86 0.11 0.00 -1.58 0.00 0.00 42.46 39.13 2k9x s ILE 7 CO -0.05 -0.20 0.22 -0.89 -1.23 0.00 0.00 174.94 172.79 2k9x s THR 8 N -1.74 3.31 -0.21 2.92 2.01 -0.57 -3.50 115.64 117.86 2k9x s THR 8 Ca 0.15 -2.13 0.01 0.00 0.31 0.00 0.00 61.69 60.03 2k9x s THR 8 Cb -0.07 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.21 2k9x s THR 8 CO 0.07 -0.71 -0.13 0.54 -0.69 0.00 0.00 174.62 173.70 2k9x s VAL 9 N 1.04 1.91 0.17 3.82 0.11 -0.39 -1.13 120.40 125.93 2k9x s VAL 9 Ca 0.09 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.04 2k9x s VAL 9 Cb -0.23 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 2k9x s VAL 9 CO -0.04 0.23 -0.13 0.00 -3.33 0.00 0.00 175.10 171.83 2k9x s GLN 10 N 1.28 1.17 -0.08 1.54 0.00 -1.20 0.13 119.66 122.51 2k9x s GLN 10 Ca -0.01 -1.48 0.03 0.00 -0.00 0.00 0.00 55.36 53.90 2k9x s GLN 10 Cb -0.16 -0.89 -0.02 0.00 0.00 0.00 0.00 33.01 31.94 2k9x s GLN 10 CO -0.09 0.14 -0.17 -0.06 0.00 0.00 0.00 175.29 175.11 2k9x s PHE 11 N -2.98 2.67 -0.01 9.60 0.08 -1.10 -3.17 117.98 123.07 2k9x s PHE 11 Ca 0.18 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 2k9x s PHE 11 Cb -0.00 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 2k9x s PHE 11 CO 0.04 -0.07 0.07 0.00 -0.10 0.00 0.00 175.22 175.16 2k9x s ALA 12 N -0.19 -0.17 0.00 5.36 0.00 -0.55 -4.51 121.76 121.70 2k9x s ALA 12 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2k9x s ALA 12 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2k9x s ALA 12 CO 0.03 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2k9x n GLY 13 N 2.33 1.69 1.13 0.00 0.00 -1.26 -1.89 105.19 107.19 2k9x n GLY 13 Ca -0.17 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.63 2k9x n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLY 14 N 0.00 2.22 0.05 -0.02 0.00 -1.24 -4.80 105.19 101.41 2k9x n GLY 14 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 2k9x n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k9x h GLU 16 N 0.00 0.89 0.00 0.00 9.09 -1.83 -1.45 114.58 121.28 2k9x h GLU 16 Ca -0.28 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.02 2k9x h GLU 16 Cb 1.61 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.54 2k9x h GLU 16 CO 0.01 0.68 0.00 1.28 0.05 0.00 0.00 179.01 181.03 2k9x n LEU 17 N -4.35 0.61 -0.42 3.06 4.77 -1.26 -0.03 117.00 119.38 2k9x n LEU 17 Ca 0.06 0.67 0.02 0.00 -0.03 0.00 0.00 56.01 56.73 2k9x n LEU 17 Cb 0.12 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 40.66 2k9x n LEU 17 CO 0.38 -0.62 0.48 0.18 -1.33 0.00 0.00 177.39 176.48 2k9x n LEU 18 N -2.20 1.11 0.09 2.23 4.77 -0.55 -4.41 117.00 118.05 2k9x n LEU 18 Ca 0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2k9x n LEU 18 Cb 0.19 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2k9x n LEU 18 CO 0.17 0.23 0.00 0.33 -1.33 0.00 0.00 177.39 176.79 2k9x n PHE 19 N -0.03 -1.96 -2.42 -1.77 7.35 -1.04 -1.94 117.46 115.64 2k9x n PHE 19 Ca 0.05 0.40 -0.01 0.00 -0.76 0.00 0.00 57.45 57.13 2k9x n PHE 19 Cb 0.22 0.98 0.03 0.00 0.35 0.00 0.00 39.48 41.06 2k9x n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9x n ALA 20 N -3.05 -0.61 -3.90 3.13 0.00 -1.03 -4.72 120.51 110.35 2k9x n ALA 20 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 2k9x n ALA 20 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 2k9x n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k9x n LYS 21 N -0.36 -3.98 -1.43 0.00 4.01 0.96 -4.94 118.16 112.41 2k9x n LYS 21 Ca -0.05 0.47 -0.30 0.00 -0.51 0.00 0.00 58.31 57.93 2k9x n LYS 21 Cb 0.57 -5.25 0.19 0.00 -0.51 0.00 0.00 35.03 30.03 2k9x n LYS 21 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2k9x s GLN 22 N -6.59 -0.02 -0.05 1.97 -1.52 -1.23 -4.93 119.66 107.29 2k9x s GLN 22 Ca 0.63 -0.04 -0.04 0.00 -1.95 0.00 0.00 55.36 53.97 2k9x s GLN 22 Cb -0.33 -1.73 -0.03 0.00 -0.22 0.00 0.00 33.01 30.69 2k9x s GLN 22 CO 0.78 -2.91 -0.09 0.25 -0.25 0.00 0.00 175.29 173.06 2k9x n THR 23 N -4.20 0.59 -3.63 -0.19 -2.24 -1.26 -4.62 114.28 98.73 2k9x n THR 23 Ca 0.11 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.74 2k9x n THR 23 Cb 0.59 -1.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.11 2k9x n THR 23 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k9x s SER 24 N -5.71 -0.47 0.09 3.42 1.04 -1.26 -2.69 113.70 108.12 2k9x s SER 24 Ca -0.09 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.87 2k9x s SER 24 Cb 0.03 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2k9x s SER 24 CO 0.12 -0.50 -0.07 -0.76 0.98 0.00 0.00 173.24 173.01 2k9x s LEU 25 N -1.07 2.46 -0.24 2.42 1.43 0.34 -4.95 118.68 119.07 2k9x s LEU 25 Ca -0.11 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.07 2k9x s LEU 25 Cb -0.02 -0.10 0.07 0.00 0.03 0.00 0.00 46.19 46.17 2k9x s LEU 25 CO 0.07 -0.41 0.02 -1.10 0.23 0.00 0.00 176.35 175.16 2k9x s GLN 26 N -3.39 1.05 0.07 1.70 -0.21 -1.26 -1.26 119.66 116.36 2k9x s GLN 26 Ca 0.08 -0.86 -0.21 0.00 0.02 0.00 0.00 55.36 54.39 2k9x s GLN 26 Cb 0.02 -2.30 -0.07 0.00 1.00 0.00 0.00 33.01 31.67 2k9x s GLN 26 CO -0.04 -0.73 0.64 -0.51 -2.12 0.00 0.00 175.29 172.53 2k9x s LEU 27 N 1.59 4.51 -0.10 2.90 1.43 -1.23 -4.80 118.68 122.98 2k9x s LEU 27 Ca 0.01 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2k9x s LEU 27 Cb -0.18 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2k9x s LEU 27 CO -0.12 0.20 -0.12 1.51 0.23 0.00 0.00 176.35 178.06 2k9x s ASP 28 N -0.82 2.11 -0.26 2.29 -4.77 -1.26 -2.03 116.67 111.93 2k9x s ASP 28 Ca 0.32 -0.34 -0.01 0.00 -3.30 0.00 0.00 52.55 49.21 2k9x s ASP 28 Cb -0.20 -0.91 0.00 0.00 -1.09 0.00 0.00 42.92 40.72 2k9x s ASP 28 CO 0.20 -0.03 0.23 0.61 0.70 0.00 0.00 175.17 176.89 2k9x n GLY 29 N 4.32 0.57 0.42 2.12 0.00 -1.26 -4.97 105.19 106.39 2k9x n GLY 29 Ca -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2k9x n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k9x n VAL 30 N -2.67 0.00 -3.35 1.61 0.24 -1.26 -4.94 118.33 107.96 2k9x n VAL 30 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.03 2k9x n VAL 30 Cb 0.52 -0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 2k9x n VAL 30 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2k9x n VAL 31 N -2.36 0.85 0.21 3.34 0.24 -1.26 -4.99 118.33 114.36 2k9x n VAL 31 Ca 0.00 -4.60 -0.10 0.00 -2.04 0.00 0.00 64.34 57.60 2k9x n VAL 31 Cb 0.32 -2.02 -0.05 0.00 -1.47 0.00 0.00 33.84 30.62 2k9x n VAL 31 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2k9x h PRO 32 N 4.25 -0.59 0.00 7.34 0.11 -1.92 -3.25 132.00 137.94 2k9x h PRO 32 Ca 0.15 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2k9x h PRO 32 Cb 0.77 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2k9x h PRO 32 CO 0.65 -0.39 0.00 2.41 -0.21 0.00 0.00 178.00 180.46 2k9x n THR 33 N -3.95 0.00 -1.17 -1.15 -1.04 -1.21 -2.58 114.28 103.19 2k9x n THR 33 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 2k9x n THR 33 Cb 0.26 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 2k9x n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k9x n GLY 34 N -0.16 3.78 2.96 3.41 0.00 -1.26 -4.25 105.19 109.67 2k9x n GLY 34 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 2k9x n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k9x s THR 35 N 1.88 -0.48 0.80 2.61 2.01 -1.26 -5.08 115.64 116.12 2k9x s THR 35 Ca 0.67 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 2k9x s THR 35 Cb 0.22 -0.63 0.12 0.00 0.01 0.00 0.00 72.50 72.22 2k9x s THR 35 CO -0.04 -0.03 1.12 0.54 -0.69 0.00 0.00 174.62 175.53 2k9x s ASN 36 N 2.46 4.15 0.27 3.53 2.20 -1.26 -1.54 114.94 124.74 2k9x s ASN 36 Ca 0.05 0.27 -0.03 0.00 -0.94 0.00 0.00 52.86 52.21 2k9x s ASN 36 Cb -0.14 -0.66 0.39 0.00 -2.00 0.00 0.00 41.25 38.85 2k9x s ASN 36 CO -0.12 -2.04 1.90 0.25 -2.94 0.00 0.00 177.10 174.14 2k9x h LEU 37 N -0.96 1.05 -0.92 3.54 6.46 -1.50 -1.29 115.31 121.69 2k9x h LEU 37 Ca -0.43 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.46 2k9x h LEU 37 Cb 1.28 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 40.90 2k9x h LEU 37 CO 0.50 0.69 0.54 -1.13 -0.62 0.00 0.00 178.44 178.42 2k9x h ASN 38 N 1.20 0.75 0.45 1.25 -1.24 -1.78 0.17 115.58 116.38 2k9x h ASN 38 Ca 0.42 0.07 -0.14 0.00 0.71 0.00 0.00 56.30 57.35 2k9x h ASN 38 Cb 0.11 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2k9x h ASN 38 CO -0.15 0.37 -0.61 1.23 -1.29 0.00 0.00 177.43 176.97 2k9x h GLY 39 N 0.82 0.18 0.50 1.57 0.00 -1.60 -2.27 103.07 102.27 2k9x h GLY 39 Ca 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2k9x h GLY 39 CO -0.30 0.20 -0.17 -2.00 0.00 0.00 0.00 176.54 174.26 2k9x h LEU 40 N 0.12 -0.41 0.55 3.11 5.85 -0.08 -2.62 115.31 121.82 2k9x h LEU 40 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2k9x h LEU 40 Cb 1.10 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2k9x h LEU 40 CO 0.09 0.03 -0.39 -0.37 -0.34 0.00 0.00 178.44 177.47 2k9x h VAL 41 N -0.99 0.22 -1.03 1.05 -1.51 -0.88 -2.12 116.25 111.00 2k9x h VAL 41 Ca -0.05 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.70 2k9x h VAL 41 Cb 0.51 0.22 -0.06 0.00 -2.13 0.00 0.00 31.29 29.83 2k9x h VAL 41 CO 0.08 0.00 0.71 -0.61 -1.23 0.00 0.00 177.57 176.52 2k9x h GLN 42 N -0.90 0.16 0.00 5.19 4.15 -1.54 0.58 115.11 122.74 2k9x h GLN 42 Ca -0.06 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 2k9x h GLN 42 Cb 0.75 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2k9x h GLN 42 CO 0.03 0.11 -0.32 1.25 -1.93 0.00 0.00 178.83 177.96 2k9x h LEU 43 N 0.17 0.00 0.04 -2.39 5.85 -1.00 -2.54 115.31 115.43 2k9x h LEU 43 Ca 0.52 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.87 2k9x h LEU 43 Cb 1.75 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.73 2k9x h LEU 43 CO -0.11 0.32 -2.26 0.00 -0.34 0.00 0.00 178.44 176.05 2k9x n LEU 44 N -3.31 2.23 0.00 2.25 -0.00 0.16 -3.96 117.00 114.38 2k9x n LEU 44 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 2k9x n LEU 44 Cb 0.56 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2k9x n LEU 44 CO 0.36 0.80 0.00 2.29 -0.00 0.00 0.00 177.39 180.84 2k9x n LYS 45 N -3.22 0.00 0.12 1.47 2.85 0.94 -0.51 118.16 119.81 2k9x n LYS 45 Ca -0.37 0.35 0.20 0.00 -1.05 0.00 0.00 58.31 57.43 2k9x n LYS 45 Cb 1.04 -0.84 0.73 0.00 -0.65 0.00 0.00 35.03 35.31 2k9x n LYS 45 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2k9x h THR 46 N 0.00 0.29 0.00 0.58 2.02 -1.65 0.67 112.91 114.82 2k9x h THR 46 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 2k9x h THR 46 Cb 0.00 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2k9x h THR 46 CO 0.00 0.00 -2.15 -3.20 0.37 0.00 0.00 175.52 170.54 2k9x n ASN 47 N -3.54 0.52 -2.68 4.18 4.05 -1.18 -4.73 115.26 111.88 2k9x n ASN 47 Ca 0.06 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 55.00 2k9x n ASN 47 Cb 0.63 1.21 0.04 0.00 1.23 0.00 0.00 39.78 42.89 2k9x n ASN 47 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2k9x n TYR 48 N -2.53 0.68 -3.70 1.20 4.01 0.33 -4.99 117.16 112.16 2k9x n TYR 48 Ca -0.22 -2.72 -0.37 0.00 -0.16 0.00 0.00 57.90 54.42 2k9x n TYR 48 Cb 0.93 -0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.76 2k9x n TYR 48 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k9x s VAL 49 N -2.69 5.29 -0.18 -0.72 0.11 0.22 -4.55 120.40 117.87 2k9x s VAL 49 Ca 0.27 0.50 0.13 0.00 -2.93 0.00 0.00 61.98 59.95 2k9x s VAL 49 Cb 0.45 -3.55 0.43 0.00 -1.53 0.00 0.00 36.38 32.18 2k9x s VAL 49 CO 0.02 0.59 1.21 0.29 -3.33 0.00 0.00 175.10 173.88 2k9x n LYS 50 N 1.96 1.53 -3.83 1.54 5.02 -0.82 -5.03 118.16 118.53 2k9x n LYS 50 Ca -0.17 -3.18 -0.06 0.00 -2.02 0.00 0.00 58.31 52.89 2k9x n LYS 50 Cb 0.54 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 2k9x n LYS 50 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k9x s GLU 51 N -2.74 1.68 -0.51 1.97 2.56 -1.26 -4.64 118.70 115.76 2k9x s GLU 51 Ca 0.38 -1.05 -0.33 0.00 0.00 0.00 0.00 54.97 53.98 2k9x s GLU 51 Cb 0.38 0.49 -0.13 0.00 2.00 0.00 0.00 34.13 36.87 2k9x s GLU 51 CO -0.08 -0.78 2.34 0.54 -0.56 0.00 0.00 175.26 176.72 2k9x n ARG 52 N -0.58 0.80 0.07 4.30 1.74 -1.26 -4.80 116.66 116.93 2k9x n ARG 52 Ca -0.06 0.16 0.19 0.00 -0.77 0.00 0.00 57.85 57.37 2k9x n ARG 52 Cb 0.60 -2.42 0.72 0.00 -1.02 0.00 0.00 32.46 30.34 2k9x n ARG 52 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2k9x h PRO 53 N 13.59 0.00 -0.44 5.56 0.11 -1.98 0.14 132.00 148.98 2k9x h PRO 53 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2k9x h PRO 53 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2k9x h PRO 53 CO 1.13 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.45 2k9x n ASP 54 N -4.17 2.51 0.05 -2.05 2.03 -1.26 -4.04 116.55 109.62 2k9x n ASP 54 Ca 0.07 -1.97 -0.05 0.00 0.52 0.00 0.00 54.79 53.36 2k9x n ASP 54 Cb 0.53 -0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 40.54 2k9x n ASP 54 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2k9x h LEU 55 N 2.83 0.00 0.00 -2.67 8.10 -1.08 -3.39 115.31 119.10 2k9x h LEU 55 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.81 2k9x h LEU 55 Cb 0.64 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.84 2k9x h LEU 55 CO 0.00 0.89 -1.32 0.00 -4.11 0.00 0.00 178.44 173.91 2k9x n LEU 56 N -3.21 1.88 -4.59 0.17 -0.00 -1.26 -4.90 117.00 105.10 2k9x n LEU 56 Ca -0.05 0.44 -0.37 0.00 -0.00 0.00 0.00 56.01 56.03 2k9x n LEU 56 Cb 0.93 -0.87 0.06 0.00 -0.00 0.00 0.00 43.42 43.55 2k9x n LEU 56 CO 0.45 0.05 0.44 1.33 -0.00 0.00 0.00 177.39 179.66 2k9x n VAL 57 N -4.44 3.19 0.22 1.47 0.24 -1.26 0.12 118.33 117.87 2k9x n VAL 57 Ca -0.28 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.48 2k9x n VAL 57 Cb 0.59 -1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 31.87 2k9x n VAL 57 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2k9x h ASP 58 N 0.14 -0.49 0.00 -1.34 1.82 -0.04 -3.38 116.42 113.12 2k9x h ASP 58 Ca -0.48 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2k9x h ASP 58 Cb 1.36 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.50 2k9x h ASP 58 CO 0.48 -0.21 0.00 1.67 -1.61 0.00 0.00 179.24 179.57 2k9x n GLN 59 N -4.35 0.00 0.00 0.28 7.27 -1.26 -4.92 117.38 114.40 2k9x n GLN 59 Ca -0.07 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.09 2k9x n GLN 59 Cb 0.23 0.00 0.55 0.00 2.41 0.00 0.00 30.24 33.43 2k9x n GLN 59 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2k9x n THR 60 N -1.84 0.00 -1.80 1.69 5.66 -1.26 -4.86 114.28 111.86 2k9x n THR 60 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 2k9x n THR 60 Cb 0.00 -0.33 -0.06 0.00 -1.55 0.00 0.00 70.33 68.38 2k9x n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k9x n GLY 61 N 0.72 1.21 0.59 1.09 0.00 -1.26 -4.78 105.19 102.75 2k9x n GLY 61 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k9x n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k9x n GLN 62 N -2.56 0.00 -3.73 1.61 0.00 -1.26 -5.01 117.38 106.42 2k9x n GLN 62 Ca -0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.43 2k9x n GLN 62 Cb 0.65 -0.69 -0.11 0.00 0.00 0.00 0.00 30.24 30.10 2k9x n GLN 62 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2k9x s THR 63 N -1.97 5.01 0.72 1.69 -1.32 -1.26 -4.82 115.64 113.69 2k9x s THR 63 Ca 0.00 0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.41 2k9x s THR 63 Cb 0.00 -3.33 0.03 0.00 -1.51 0.00 0.00 72.50 67.69 2k9x s THR 63 CO 0.00 0.34 1.12 -0.76 -2.21 0.00 0.00 174.62 173.12 2k9x s LEU 64 N 1.22 3.23 0.45 9.08 1.43 -1.26 0.60 118.68 133.42 2k9x s LEU 64 Ca 0.06 2.02 -0.25 0.00 -1.03 0.00 0.00 54.13 54.94 2k9x s LEU 64 Cb -0.14 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.44 2k9x s LEU 64 CO 0.05 -1.97 1.28 -2.11 0.23 0.00 0.00 176.35 173.83 2k9x n ARG 65 N -2.93 1.90 -0.25 1.70 1.85 0.33 -4.34 116.66 114.91 2k9x n ARG 65 Ca 0.11 0.68 0.24 0.00 -1.00 0.00 0.00 57.85 57.88 2k9x n ARG 65 Cb 0.52 -2.42 0.60 0.00 -1.05 0.00 0.00 32.46 30.11 2k9x n ARG 65 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2k9x h PRO 66 N 1.97 0.23 -0.96 2.89 0.11 -1.93 -1.07 132.00 133.25 2k9x h PRO 66 Ca -0.48 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.84 2k9x h PRO 66 Cb 1.30 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 2k9x h PRO 66 CO 0.59 0.15 0.64 0.78 -0.21 0.00 0.00 178.00 179.95 2k9x h GLY 67 N 0.24 0.85 -6.27 -0.55 0.00 -1.89 -3.38 103.07 92.07 2k9x h GLY 67 Ca 0.50 -0.17 -0.60 0.00 0.00 0.00 0.00 47.33 47.05 2k9x h GLY 67 CO -0.14 -0.04 0.21 -0.42 0.00 0.00 0.00 176.54 176.15 2k9x s ILE 68 N -5.38 4.96 -0.66 2.60 1.01 -0.41 -1.80 121.20 121.53 2k9x s ILE 68 Ca -0.08 1.22 -0.17 0.00 0.00 0.00 0.00 60.65 61.62 2k9x s ILE 68 Cb 0.23 -3.97 0.14 0.00 0.01 0.00 0.00 42.46 38.87 2k9x s ILE 68 CO 0.79 0.02 0.70 -0.76 0.00 0.00 0.00 174.94 175.68 2k9x s LEU 69 N 2.49 5.89 0.16 2.97 1.43 0.16 -4.81 118.68 126.98 2k9x s LEU 69 Ca 0.28 -1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.22 2k9x s LEU 69 Cb -0.15 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 2k9x s LEU 69 CO 0.08 -0.92 0.97 -0.69 0.23 0.00 0.00 176.35 176.02 2k9x s VAL 70 N 1.83 4.27 0.13 -1.59 1.01 -1.26 -3.21 120.40 121.59 2k9x s VAL 70 Ca 0.12 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.19 2k9x s VAL 70 Cb -0.21 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2k9x s VAL 70 CO 0.01 0.38 -0.14 -0.76 0.00 0.00 0.00 175.10 174.58 2k9x s LEU 71 N -0.47 2.43 -0.19 3.92 1.43 -1.19 0.19 118.68 124.81 2k9x s LEU 71 Ca 0.45 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2k9x s LEU 71 Cb -0.25 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.45 2k9x s LEU 71 CO 0.31 -0.16 -0.10 -0.69 0.23 0.00 0.00 176.35 175.94 2k9x s VAL 72 N -2.34 1.62 0.00 -1.59 1.01 0.28 -3.18 120.40 116.20 2k9x s VAL 72 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2k9x s VAL 72 Cb -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2k9x s VAL 72 CO 0.03 0.19 0.00 0.59 0.00 0.00 0.00 175.10 175.91 2k9x n ASN 73 N 4.70 0.00 -1.74 3.32 3.02 -0.55 -1.95 115.26 122.05 2k9x n ASN 73 Ca -0.15 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.38 2k9x n ASN 73 Cb 0.47 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 2k9x n ASN 73 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k9x n SER 74 N 2.12 -0.38 -3.51 6.41 2.88 -1.26 -4.95 113.62 114.94 2k9x n SER 74 Ca 0.00 -2.06 -0.14 0.00 -1.33 0.00 0.00 58.87 55.34 2k9x n SER 74 Cb 0.00 0.17 -0.04 0.00 -0.75 0.00 0.00 64.21 63.59 2k9x n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9x n ASP 76 N 0.18 1.34 0.15 0.00 8.00 -1.26 0.10 116.55 125.05 2k9x n ASP 76 Ca -0.18 1.15 0.06 0.00 0.71 0.00 0.00 54.79 56.54 2k9x n ASP 76 Cb 0.62 -1.25 0.05 0.00 -0.02 0.00 0.00 41.12 40.52 2k9x n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9x h ALA 77 N 2.87 0.75 0.00 2.24 0.00 -0.51 -3.26 119.26 121.35 2k9x h ALA 77 Ca -0.42 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2k9x h ALA 77 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k9x h ALA 77 CO 0.67 0.42 0.00 0.93 0.00 0.00 0.00 179.25 181.26 2k9x h GLU 78 N 0.00 0.00 -0.19 0.00 4.39 -1.84 0.53 114.58 117.46 2k9x h GLU 78 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2k9x h GLU 78 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2k9x h GLU 78 CO 0.04 0.00 -0.61 0.28 -1.16 0.00 0.00 179.01 177.56 2k9x h VAL 79 N 0.00 1.30 0.00 3.13 2.07 -1.92 -3.27 116.25 117.55 2k9x h VAL 79 Ca 0.00 -1.82 -0.20 0.00 0.82 0.00 0.00 66.70 65.50 2k9x h VAL 79 Cb 0.54 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2k9x h VAL 79 CO 0.00 0.58 -0.96 -0.37 0.02 0.00 0.00 177.57 176.84 2k9x h VAL 80 N 0.47 1.52 0.00 2.57 -1.51 -1.71 -3.47 116.25 114.13 2k9x h VAL 80 Ca -0.02 -3.18 0.00 0.00 -1.23 0.00 0.00 66.70 62.27 2k9x h VAL 80 Cb 1.23 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 33.14 2k9x h VAL 80 CO 0.13 0.87 0.00 0.61 -1.23 0.00 0.00 177.57 177.95 2k9x n GLY 81 N 1.34 0.31 0.24 5.19 0.00 -0.96 -4.88 105.19 106.43 2k9x n GLY 81 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k9x n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9x n GLY 82 N 0.00 1.88 0.69 -0.02 0.00 0.18 -4.32 105.19 103.60 2k9x n GLY 82 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.48 2k9x n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k9x n MET 83 N 0.00 0.80 -0.80 1.61 2.81 -1.26 -4.71 117.12 115.58 2k9x n MET 83 Ca 0.00 -2.36 0.03 0.00 -1.81 0.00 0.00 57.70 53.56 2k9x n MET 83 Cb 0.00 -0.96 0.03 0.00 -0.71 0.00 0.00 33.22 31.59 2k9x n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k9x n ASP 84 N -0.56 0.68 -4.65 7.83 2.03 -1.26 -2.24 116.55 118.37 2k9x n ASP 84 Ca 0.11 -2.24 -0.42 0.00 0.52 0.00 0.00 54.79 52.76 2k9x n ASP 84 Cb 0.80 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2k9x n ASP 84 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2k9x s TYR 85 N -0.50 3.33 0.19 -0.67 5.04 -1.26 -4.63 117.35 118.84 2k9x s TYR 85 Ca 0.17 1.30 -0.30 0.00 -2.44 0.00 0.00 57.07 55.79 2k9x s TYR 85 Cb 0.18 -3.15 -0.09 0.00 0.35 0.00 0.00 41.96 39.26 2k9x s TYR 85 CO -0.06 -0.43 1.31 0.14 -1.34 0.00 0.00 175.55 175.17 2k9x s VAL 86 N 2.97 3.25 -0.24 3.14 -7.23 -1.26 -1.72 120.40 119.31 2k9x s VAL 86 Ca 0.39 1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 61.46 2k9x s VAL 86 Cb -0.15 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 2k9x s VAL 86 CO 0.07 0.15 0.24 -0.76 -0.31 0.00 0.00 175.10 174.49 2k9x s LEU 87 N -0.02 4.10 -0.44 1.32 1.02 -0.59 -4.97 118.68 119.09 2k9x s LEU 87 Ca 0.57 0.20 0.04 0.00 0.02 0.00 0.00 54.13 54.96 2k9x s LEU 87 Cb -0.36 -2.24 0.51 0.00 0.02 0.00 0.00 46.19 44.12 2k9x s LEU 87 CO 0.37 -0.02 1.67 0.59 0.02 0.00 0.00 176.35 178.98 2k9x n ASN 88 N 4.60 4.83 -2.30 2.29 5.03 -1.26 -3.29 115.26 125.15 2k9x n ASN 88 Ca -0.13 -3.75 -0.03 0.00 0.87 0.00 0.00 54.58 51.55 2k9x n ASN 88 Cb 0.52 -0.72 -0.02 0.00 -1.02 0.00 0.00 39.78 38.54 2k9x n ASN 88 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2k9x n ASP 89 N -0.98 -4.35 0.00 6.41 -0.08 -1.06 -4.89 116.55 111.59 2k9x n ASP 89 Ca 0.50 1.37 0.00 0.00 -1.51 0.00 0.00 54.79 55.15 2k9x n ASP 89 Cb 1.02 -4.64 0.00 0.00 2.34 0.00 0.00 41.12 39.84 2k9x n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k9x n GLY 90 N 1.52 1.98 3.90 0.27 0.00 -0.42 -4.81 105.19 107.63 2k9x n GLY 90 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2k9x n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k9x s ASP 91 N -2.00 6.18 -0.28 1.61 2.15 -1.26 -4.93 116.67 118.14 2k9x s ASP 91 Ca 0.00 0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.12 2k9x s ASP 91 Cb 0.00 -1.84 0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2k9x s ASP 91 CO 0.00 0.11 -0.03 -0.89 -0.17 0.00 0.00 175.17 174.19 2k9x s THR 92 N -1.63 2.90 -0.13 1.71 2.01 -1.26 -1.51 115.64 117.73 2k9x s THR 92 Ca 0.34 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2k9x s THR 92 Cb -0.12 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.80 2k9x s THR 92 CO 0.27 0.00 -0.21 0.54 -0.69 0.00 0.00 174.62 174.53 2k9x s VAL 93 N 1.27 1.99 0.14 3.82 0.11 -0.28 -1.48 120.40 125.96 2k9x s VAL 93 Ca -0.04 -0.94 0.08 0.00 -2.93 0.00 0.00 61.98 58.15 2k9x s VAL 93 Cb -0.19 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 2k9x s VAL 93 CO -0.02 0.54 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.50 2k9x s GLU 94 N 0.78 1.16 -0.30 1.54 2.02 -1.19 -3.23 118.70 119.47 2k9x s GLU 94 Ca -0.08 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 53.65 2k9x s GLU 94 Cb -0.16 -1.22 0.08 0.00 0.10 0.00 0.00 34.13 32.94 2k9x s GLU 94 CO -0.01 0.25 -0.02 -0.06 0.02 0.00 0.00 175.26 175.45 2k9x s PHE 95 N -1.84 3.43 -0.48 1.61 0.08 -1.19 -3.15 117.98 116.44 2k9x s PHE 95 Ca 0.11 -2.63 -0.10 0.00 0.12 0.00 0.00 56.93 54.43 2k9x s PHE 95 Cb -0.07 -2.42 0.12 0.00 -0.57 0.00 0.00 43.02 40.09 2k9x s PHE 95 CO 0.05 -0.91 0.36 0.42 -0.10 0.00 0.00 175.22 175.04 2k9x s ILE 96 N 1.03 4.32 0.03 0.64 1.01 -1.20 -1.48 121.20 125.55 2k9x s ILE 96 Ca 0.02 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.74 2k9x s ILE 96 Cb -0.19 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 2k9x s ILE 96 CO -0.07 -0.79 0.46 -0.44 0.00 0.00 0.00 174.94 174.10 2k9x s SER 97 N 2.76 6.89 0.00 3.58 0.01 -0.79 0.40 113.70 126.55 2k9x s SER 97 Ca 0.06 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2k9x s SER 97 Cb -0.27 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k9x s SER 97 CO -0.00 0.31 0.00 0.35 0.41 0.00 0.00 173.24 174.30 2k9x n THR 98 N 1.76 0.00 -2.76 1.44 -2.24 -0.75 -3.65 114.28 108.09 2k9x n THR 98 Ca -0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 2k9x n THR 98 Cb 0.52 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2k9x n THR 98 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2k9x s LEU 99 N -5.05 4.60 -0.21 3.22 0.20 -1.26 -4.97 118.68 115.21 2k9x s LEU 99 Ca 0.00 1.88 0.05 0.00 0.69 0.00 0.00 54.13 56.75 2k9x s LEU 99 Cb 0.00 -3.58 -0.17 0.00 -0.43 0.00 0.00 46.19 42.01 2k9x s LEU 99 CO 0.00 0.09 -0.13 1.57 -0.29 0.00 0.00 176.35 177.59 2k9x n HIS 100 N 1.90 0.00 0.00 5.38 -0.00 -1.26 -4.66 115.22 116.58 2k9x n HIS 100 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2k9x n HIS 100 Cb 0.48 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.47 2k9x n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k9x n GLY 101 N 2.28 -0.43 0.00 1.57 0.00 -1.26 -5.12 105.19 102.23 2k9x n GLY 101 Ca -0.37 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2k9x n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93